A0A087YD64_POEFO Loading...

Aminopeptidase

AlphaFold DB , UniProt , Accession A0A087YD64, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 964 aa.

						>A0A087YD64_POEFO|A0A087YD64
MGKVYNISKNVGLGLLVLGVSAAVTIIGLSIAYDKQRAKTQGKPGDEADTGSTSIPPTTPFTPREPWDYYRLPDSLVPLTYNVTLWPRLKPNADNMYIFTGHSSVVFRCKKETDLILIHANKLNFTMYGGNHAKLSGQGEAAAPAIRSTWLVVRTQYLVVQLSSKLAVGKSYELYTEFRGELADDLEGFYRSEYMDDGVKKVVATSQMQATYARKAFPCFDEPAMKANFSVTIIHERGTVALSNGKEIDSSDSIRDNVQVTVTAFEPTPKMSTYILAFVVCEFGYIQSNDSNLLIRIWARKKALNDGQGNYALNVTGPILQFYERYYNATYPLSKSDQIALPDFNAGAMENWGLVTYRETALLYDSNLSSTGNKERVATVISHELAHMWFGNLVTLQWWNDLWLNEGFASYVEYLGVDFVEPTWNIKDYIILYDVQKVFAIDALASSHPLSRKEEEVNTPAEISEMFNTISYNKGAAVLRMLSEFLSEPVFAKGLSSYLNEFAYSNTVHTDLWGHLQQAVADTPDLHIPCSVRDIMNRWTLQMGFPVVTINTRTGGISQKHFLLDPDSKVDRPSQFNYTWFVPIKWMKNGVDQQQYWLLNKTDTHAQMRVSGQEWVLANTNVSGYFRINYDADNWDRLLSQLDTSHQALSVMNRAQIIDDAFNLARAKLIPTTLALRTTQYLSKERDYIPWASALRNLRYYILMFDRTEVYGPLQAYLKKQIEPLFEYFETVTTNWTKTPIEHSDQYNQINAVWMACSMGVESCRKQVSSWFRLWMGNPDHNPIPSDLKATVYCSAIGFGGAEEWDFAWKMFQNASLASEASRLRSALACTKTPWLLNRYLEYTLDPNKIRKQDVTSTIQSIANNVIGMPLAWNFVRAKWSYIFQQYGRGSFSFSNLISGITLRFSTEFELQELKKFKEENLHVGFGSATMALEQAIEKTTANIKWVTENKADVLSWFTEQTVK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	51.5	Low	250 Å²	250	144.5 Å²	144.5	100%	1.232	76%	0.758	S	S	*	*				0	102.3	0	-70.7	176.4	-169.7	0	0	108.1
2	G	37.2	Very low	53.2	Low	79 Å²	79	135.3 Å²	135.3	81%	0.814	72%	0.723	S	S	*	*			trans	-82.2	125.4	179.6	0	0	0	0	0	111.2
3	K	37.3	Very low	54.6	Low	188 Å²	188	133.8 Å²	133.8	82%	0.817	72%	0.715	S	S	*	*			trans	-94.2	105.4	165.4	-82.5	-174.7	176.9	179.5	0	108.4	Y5	K3-Y5 PolarHBondContact O-N 2.98Å
4	V	40.9	Very low	56.2	Low	126 Å²	126	126.6 Å²	126.6	76%	0.764	69%	0.688	S	S	*	*			trans	-75.6	116.2	169.2	177.9	0	0	0	0	107.5	N6	V4-N6 PolarHBondContact O-N 2.93Å
5	Y	45.6	Very low	57.2	Low	207 Å²	207	125.5 Å²	125.5	81%	0.812	68%	0.68	S	S	*	*			trans	-80	104.7	171.3	-81.7	-87.5	0	0	0	109.1	K3 I7	K3-Y5 PolarHBondContact O-N 2.98Å; Y5-I7 PolarHBondContact O-N 3.44Å
6	N	48.6	Very low	58.4	Low	154 Å²	154	124.9 Å²	124.9	82%	0.824	68%	0.676	S	S	*	*			trans	-76.8	103.2	168.3	-87.7	-36.5	0	0	0	109	V4 S8	V4-N6 PolarHBondContact O-N 2.93Å; N6-S8 PolarHBondContact O-N 3.08Å
7	I	54.6	Low	59.8	Low	119 Å²	119	122.6 Å²	122.6	61%	0.61	67%	0.666	S	S	*	*			trans	-67.6	120.7	165.2	-62.8	175.4	0	0	0	106.7	Y5 V11	Y5-I7 PolarHBondContact O-N 3.44Å; I7-V11 HydrophobicContact CG2-CB 3.88Å; I7-V11 HydrophobicContact CG2-CG1 3.88Å
8	S	67.4	Low	60.8	Low	62 Å²	62	122.2 Å²	122.2	43%	0.434	66%	0.663	S	S	.	*			trans	-62.1	143.3	179.3	94.2	0	0	0	0	109.7	N6 N10 V11 G12	N6-S8 PolarHBondContact O-N 3.08Å; S8-N10 PolarHBondContact O-N 3.48Å; S8-V11 PolarHBondContact O-N 2.9Å; S8-V11 PolarHBondContact OG-N 3.27Å; S8-G12 PolarHBondContact O-N 3.35Å; S8-G12 VanDerWaalsContact O-N 3.08Å
9	K	62.7	Low	61.8	Low	193 Å²	193	118.1 Å²	118.1	84%	0.839	65%	0.652	S	S	*	*	H	α-helix	trans	-49.5	-32.3	178.5	-94.2	-176.3	173.6	-179.6	0	112.5	L13	K9-L13 WeakPolarHBondContact O-CB 3.36Å; K9-L13 PolarHBondContact O-N 3.34Å
10	N	64.7	Low	62.8	Low	131 Å²	131	116.2 Å²	116.2	70%	0.701	64%	0.643	S	S	*	*	H	α-helix	trans	-72.3	-34.7	-179.9	-62	-12	0	0	0	112.5	S8 G14	S8-N10 PolarHBondContact O-N 3.48Å; N10-G14 PolarHBondContact O-N 3.05Å
11	V	70.9	Confident	63.5	Low	81 Å²	81	113.5 Å²	113.5	49%	0.491	63%	0.633	S	S	.	*	H	α-helix	trans	-73.5	-39.9	175.2	176.4	0	0	0	0	110.8	I7 S8 L13 G14 L15	I7-V11 HydrophobicContact CG2-CB 3.88Å; I7-V11 HydrophobicContact CG2-CG1 3.88Å; S8-V11 PolarHBondContact O-N 2.9Å; S8-V11 PolarHBondContact OG-N 3.27Å; V11-L13 VanDerWaalsContact C-N 3.33Å; V11-L13 PolarHBondContact O-N 3.49Å; V11-G14 PolarHBondContact O-N 3.47Å; V11-L15 HydrophobicContact CG1-CD1 4.36Å; V11-L15 PolarHBondContact O-N 3.34Å
12	G	71.3	Confident	65.5	Low	33 Å²	33	104 Å²	104	34%	0.34	59%	0.594	S	S	.	*	H	α-helix	trans	-60.4	-43	172.3	0	0	0	0	0	112.1	S8 L15 L16	S8-G12 PolarHBondContact O-N 3.35Å; S8-G12 VanDerWaalsContact O-N 3.08Å; G12-L15 PolarHBondContact O-N 3.27Å; G12-L16 WeakPolarHBondContact O-CB 3.4Å; G12-L16 PolarHBondContact O-N 2.97Å
13	L	72.1	Confident	67.5	Low	117 Å²	117	102.4 Å²	102.4	61%	0.613	57%	0.573	S	S	*	*	H	α-helix	trans	-65	-40.6	175.5	-152.8	80.7	0	0	0	111.7	K9 V11 L16 V17	K9-L13 WeakPolarHBondContact O-CB 3.36Å; K9-L13 PolarHBondContact O-N 3.34Å; V11-L13 VanDerWaalsContact C-N 3.33Å; V11-L13 PolarHBondContact O-N 3.49Å; L13-L16 PolarHBondContact O-N 3.5Å; L13-V17 VanDerWaalsContact O-CG2 3.29Å; L13-V17 WeakPolarHBondContact O-CG2 3.4Å; L13-V17 PolarHBondContact O-N 2.98Å
14	G	76.4	Confident	69.7	Low	33 Å²	33	97.9 Å²	97.9	34%	0.34	56%	0.561	S	S	.	*	H	α-helix	trans	-62.5	-43	176.6	0	0	0	0	0	113.4	N10 V11 L16 V17 L18	N10-G14 PolarHBondContact O-N 3.05Å; V11-G14 PolarHBondContact O-N 3.47Å; G14-L16 VanDerWaalsContact C-N 3.33Å; G14-L16 PolarHBondContact O-N 3.28Å; G14-V17 PolarHBondContact O-N 2.95Å; G14-L18 WeakPolarHBondContact O-CB 3.27Å; G14-L18 WeakPolarHBondContact O-CG 3.5Å; G14-L18 PolarHBondContact O-N 2.9Å
15	L	72.1	Confident	71.7	Confident	110 Å²	110	95.9 Å²	95.9	58%	0.576	55%	0.549	S	S	*	.	H	α-helix	trans	-66.8	-35.1	175.4	-73	171	0	0	0	112.2	V11 G12 L18 G19	V11-L15 HydrophobicContact CG1-CD1 4.36Å; V11-L15 PolarHBondContact O-N 3.34Å; G12-L15 PolarHBondContact O-N 3.27Å; L15-L18 PolarHBondContact O-N 3.42Å; L15-G19 PolarHBondContact O-N 2.9Å
16	L	76.8	Confident	73.3	Confident	116 Å²	116	91.5 Å²	91.5	61%	0.607	54%	0.539	S	S	*	.	H	α-helix	trans	-70	-40.6	177.1	-149.8	150.6	0	0	0	111	G12 L13 G14 G19 V20	G12-L16 WeakPolarHBondContact O-CB 3.4Å; G12-L16 PolarHBondContact O-N 2.97Å; L13-L16 PolarHBondContact O-N 3.5Å; G14-L16 VanDerWaalsContact C-N 3.33Å; G14-L16 PolarHBondContact O-N 3.28Å; L16-G19 PolarHBondContact O-N 2.88Å; L16-V20 HydrophobicContact CD2-CG2 4.08Å; L16-V20 WeakPolarHBondContact O-CB 3.29Å; L16-V20 VanDerWaalsContact O-CG2 3.27Å; L16-V20 WeakPolarHBondContact O-CG2 3.49Å; L16-V20 PolarHBondContact O-N 3.44Å
17	V	81.5	Confident	74.9	Confident	85 Å²	85	89 Å²	89	52%	0.515	52%	0.524	S	S	.	.	H	α-helix	trans	-64.1	-40.9	173.2	172	0	0	0	0	111.4	L13 G14 V20 S21	L13-V17 VanDerWaalsContact O-CG2 3.29Å; L13-V17 WeakPolarHBondContact O-CG2 3.4Å; L13-V17 PolarHBondContact O-N 2.98Å; G14-V17 PolarHBondContact O-N 2.95Å; V17-V20 PolarHBondContact O-N 3.31Å; V17-S21 WeakPolarHBondContact O-CB 3.42Å; V17-S21 PolarHBondContact O-N 3.43Å; V17-S21 PolarHBondContact O-OG 3.25Å
18	L	76.9	Confident	76.3	Confident	116 Å²	116	85.1 Å²	85.1	61%	0.607	51%	0.514	S	S	*	.	H	α-helix	trans	-64.8	-42	174.8	-77.8	167.7	0	0	0	112	G14 L15 S21 A22	G14-L18 WeakPolarHBondContact O-CB 3.27Å; G14-L18 WeakPolarHBondContact O-CG 3.5Å; G14-L18 PolarHBondContact O-N 2.9Å; L15-L18 PolarHBondContact O-N 3.42Å; L18-S21 PolarHBondContact O-N 2.69Å; L18-A22 WeakPolarHBondContact O-CB 3.27Å; L18-A22 PolarHBondContact O-N 3.33Å
19	G	81.3	Confident	76.8	Confident	43 Å²	43	87.8 Å²	87.8	44%	0.443	52%	0.523	S	S	.	.	H	α-helix	trans	-62.6	-43.9	175.6	0	0	0	0	0	112.6	L15 L16 A22 A23	L15-G19 PolarHBondContact O-N 2.9Å; L16-G19 PolarHBondContact O-N 2.88Å; G19-A22 PolarHBondContact O-N 2.88Å; G19-A23 WeakPolarHBondContact O-CB 3.49Å; G19-A23 PolarHBondContact O-N 2.89Å
20	V	82.2	Confident	77.3	Confident	81 Å²	81	81.9 Å²	81.9	49%	0.491	51%	0.506	S	S	.	.	H	α-helix	trans	-65.3	-41.3	175.6	172.8	0	0	0	0	110.9	L16 V17 A22 A23 V24	L16-V20 HydrophobicContact CD2-CG2 4.08Å; L16-V20 WeakPolarHBondContact O-CB 3.29Å; L16-V20 VanDerWaalsContact O-CG2 3.27Å; L16-V20 WeakPolarHBondContact O-CG2 3.49Å; L16-V20 PolarHBondContact O-N 3.44Å; V17-V20 PolarHBondContact O-N 3.31Å; V20-A22 PolarHBondContact O-N 3.49Å; V20-A23 PolarHBondContact O-N 3.46Å; V20-V24 HydrophobicContact CG1-CG2 4.31Å; V20-V24 WeakPolarHBondContact O-CB 3.44Å; V20-V24 VanDerWaalsContact O-CG2 3.27Å; V20-V24 WeakPolarHBondContact O-CG2 3.33Å; V20-V24 PolarHBondContact O-N 2.97Å
21	S	77.6	Confident	77.9	Confident	60 Å²	60	80.3 Å²	80.3	42%	0.42	50%	0.496	S	S	.	.	H	α-helix	trans	-64	-41.5	177.9	-56.5	0	0	0	0	111.9	V17 L18 V24 T25	V17-S21 WeakPolarHBondContact O-CB 3.42Å; V17-S21 PolarHBondContact O-N 3.43Å; V17-S21 PolarHBondContact O-OG 3.25Å; L18-S21 PolarHBondContact O-N 2.69Å; S21-V24 PolarHBondContact O-N 2.91Å; S21-T25 WeakPolarHBondContact O-CB 3.43Å; S21-T25 PolarHBondContact O-N 3.49Å; S21-T25 PolarHBondContact O-OG1 2.97Å
22	A	77.6	Confident	78.1	Confident	51 Å²	51	78.8 Å²	78.8	42%	0.421	49%	0.492	S	S	.	.	H	α-helix	trans	-64.3	-43.9	174.9	0	0	0	0	0	111.6	L18 G19 V20 T25 I26	L18-A22 WeakPolarHBondContact O-CB 3.27Å; L18-A22 PolarHBondContact O-N 3.33Å; G19-A22 PolarHBondContact O-N 2.88Å; V20-A22 PolarHBondContact O-N 3.49Å; A22-T25 PolarHBondContact O-N 2.91Å; A22-I26 VanDerWaalsContact O-CG1 3.29Å; A22-I26 WeakPolarHBondContact O-CG1 3.29Å; A22-I26 PolarHBondContact O-N 2.85Å
23	A	78.1	Confident	78.1	Confident	45 Å²	45	84.7 Å²	84.7	37%	0.372	51%	0.505	S	S	.	.	H	α-helix	trans	-62.8	-44.1	176.9	0	0	0	0	0	112.2	G19 V20 T25 I26 I27	G19-A23 WeakPolarHBondContact O-CB 3.49Å; G19-A23 PolarHBondContact O-N 2.89Å; V20-A23 PolarHBondContact O-N 3.46Å; A23-T25 VanDerWaalsContact C-N 3.29Å; A23-T25 PolarHBondContact O-N 3.32Å; A23-I26 PolarHBondContact O-N 3.42Å; A23-I27 WeakPolarHBondContact O-CB 3.25Å; A23-I27 VanDerWaalsContact O-CG1 3.25Å; A23-I27 WeakPolarHBondContact O-CG1 3.34Å; A23-I27 PolarHBondContact O-N 2.83Å
24	V	84.4	Confident	78.1	Confident	93 Å²	93	83.4 Å²	83.4	56%	0.564	50%	0.499	S	S	*	.	H	α-helix	trans	-63.2	-37.1	175.9	172	0	0	0	0	111.2	V20 S21 G28	V20-V24 HydrophobicContact CG1-CG2 4.31Å; V20-V24 WeakPolarHBondContact O-CB 3.44Å; V20-V24 VanDerWaalsContact O-CG2 3.27Å; V20-V24 WeakPolarHBondContact O-CG2 3.33Å; V20-V24 PolarHBondContact O-N 2.97Å; S21-V24 PolarHBondContact O-N 2.91Å; V24-G28 PolarHBondContact O-N 2.71Å
25	T	82.4	Confident	77.7	Confident	84 Å²	84	89 Å²	89	52%	0.515	51%	0.514	S	S	.	.	H	α-helix	trans	-68.5	-42.7	177	-52.6	0	0	0	0	111.6	S21 A22 A23 G28 L29	S21-T25 WeakPolarHBondContact O-CB 3.43Å; S21-T25 PolarHBondContact O-N 3.49Å; S21-T25 PolarHBondContact O-OG1 2.97Å; A22-T25 PolarHBondContact O-N 2.91Å; A23-T25 VanDerWaalsContact C-N 3.29Å; A23-T25 PolarHBondContact O-N 3.32Å; T25-G28 PolarHBondContact O-N 3.29Å; T25-L29 HydrophobicContact CG2-CD1 4.15Å; T25-L29 WeakPolarHBondContact O-CB 3.23Å; T25-L29 WeakPolarHBondContact O-CG 3.44Å; T25-L29 PolarHBondContact O-N 2.86Å
26	I	79.3	Confident	77.1	Confident	115 Å²	115	90.3 Å²	90.3	59%	0.59	52%	0.517	S	S	*	.	H	α-helix	trans	-63.4	-44.3	176.2	-69	165.5	0	0	0	110.5	A22 A23 L29 S30	A22-I26 VanDerWaalsContact O-CG1 3.29Å; A22-I26 WeakPolarHBondContact O-CG1 3.29Å; A22-I26 PolarHBondContact O-N 2.85Å; A23-I26 PolarHBondContact O-N 3.42Å; I26-L29 PolarHBondContact O-N 2.91Å; I26-S30 VanDerWaalsContact O-CB 3.26Å; I26-S30 WeakPolarHBondContact O-CB 3.26Å; I26-S30 PolarHBondContact O-N 3.29Å
27	I	83.5	Confident	76.2	Confident	100 Å²	100	91.2 Å²	91.2	51%	0.513	51%	0.512	S	S	.	.	H	α-helix	trans	-63.7	-42.9	175.8	-67.4	166.1	0	0	0	110.2	A23 L29 S30 I31	A23-I27 WeakPolarHBondContact O-CB 3.25Å; A23-I27 VanDerWaalsContact O-CG1 3.25Å; A23-I27 WeakPolarHBondContact O-CG1 3.34Å; A23-I27 PolarHBondContact O-N 2.83Å; I27-L29 PolarHBondContact O-N 3.5Å; I27-S30 PolarHBondContact O-N 2.84Å; I27-I31 HydrophobicContact CG2-CD1 3.65Å; I27-I31 HydrophobicContact CG2-CG1 4.31Å; I27-I31 WeakPolarHBondContact O-CB 3.46Å; I27-I31 VanDerWaalsContact O-CG1 3.23Å; I27-I31 WeakPolarHBondContact O-CG1 3.42Å; I27-I31 PolarHBondContact O-N 3.39Å
28	G	83.8	Confident	74.8	Confident	39 Å²	39	90.3 Å²	90.3	40%	0.402	51%	0.513	S	S	.	.	H	α-helix	trans	-61.1	-43.4	176.2	0	0	0	0	0	113.1	V24 T25 A32	V24-G28 PolarHBondContact O-N 2.71Å; T25-G28 PolarHBondContact O-N 3.29Å; G28-A32 VanDerWaalsContact O-CB 3.24Å; G28-A32 WeakPolarHBondContact O-CB 3.26Å; G28-A32 PolarHBondContact O-N 3.36Å
29	L	77.8	Confident	73.4	Confident	117 Å²	117	93.4 Å²	93.4	61%	0.613	52%	0.522	S	S	*	.	H	α-helix	trans	-67.9	-37.6	175.4	-74.1	169.8	0	0	0	112	T25 I26 I27 A32 Y33	T25-L29 HydrophobicContact CG2-CD1 4.15Å; T25-L29 WeakPolarHBondContact O-CB 3.23Å; T25-L29 WeakPolarHBondContact O-CG 3.44Å; T25-L29 PolarHBondContact O-N 2.86Å; I26-L29 PolarHBondContact O-N 2.91Å; I27-L29 PolarHBondContact O-N 3.5Å; L29-A32 PolarHBondContact O-N 2.82Å; L29-Y33 VanDerWaalsContact O-CB 3.26Å; L29-Y33 WeakPolarHBondContact O-CB 3.36Å; L29-Y33 PolarHBondContact O-N 3.41Å
30	S	71.9	Confident	71.6	Confident	70 Å²	70	96.9 Å²	96.9	49%	0.49	54%	0.535	S	S	.	.	H	α-helix	trans	-68.4	-42.1	177.2	-166.2	0	0	0	0	111.5	I26 I27 Y33 D34	I26-S30 VanDerWaalsContact O-CB 3.26Å; I26-S30 WeakPolarHBondContact O-CB 3.26Å; I26-S30 PolarHBondContact O-N 3.29Å; I27-S30 PolarHBondContact O-N 2.84Å; S30-Y33 PolarHBondContact O-N 2.87Å; S30-D34 PolarHBondContact O-N 2.83Å
31	I	78.8	Confident	69.9	Low	98 Å²	98	99.8 Å²	99.8	50%	0.503	54%	0.543	S	S	.	.	H	α-helix	trans	-65.9	-40.4	172.7	-66.6	167.4	0	0	0	111	I27 D34 K35	I27-I31 HydrophobicContact CG2-CD1 3.65Å; I27-I31 HydrophobicContact CG2-CG1 4.31Å; I27-I31 WeakPolarHBondContact O-CB 3.46Å; I27-I31 VanDerWaalsContact O-CG1 3.23Å; I27-I31 WeakPolarHBondContact O-CG1 3.42Å; I27-I31 PolarHBondContact O-N 3.39Å; I31-D34 PolarHBondContact O-N 3.42Å; I31-K35 WeakPolarHBondContact O-CB 3.24Å; I31-K35 PolarHBondContact O-N 2.9Å
32	A	74.8	Confident	67.7	Low	48 Å²	48	100.3 Å²	100.3	40%	0.397	56%	0.558	S	S	.	*	H	α-helix	trans	-64.4	-41.6	176.1	0	0	0	0	0	111.3	G28 L29 K35 Q36	G28-A32 VanDerWaalsContact O-CB 3.24Å; G28-A32 WeakPolarHBondContact O-CB 3.26Å; G28-A32 PolarHBondContact O-N 3.36Å; L29-A32 PolarHBondContact O-N 2.82Å; A32-K35 PolarHBondContact O-N 3.37Å; A32-Q36 WeakPolarHBondContact O-CB 3.34Å; A32-Q36 PolarHBondContact O-N 3.35Å
33	Y	71.3	Confident	65.6	Low	158 Å²	158	107.8 Å²	107.8	62%	0.62	58%	0.581	S	S	*	*	H	α-helix	trans	-62.8	-45.2	174.6	-177.1	-99.2	0	0	0	111.6	L29 S30 Q36 R37	L29-Y33 VanDerWaalsContact O-CB 3.26Å; L29-Y33 WeakPolarHBondContact O-CB 3.36Å; L29-Y33 PolarHBondContact O-N 3.41Å; S30-Y33 PolarHBondContact O-N 2.87Å; Y33-Q36 WeakPolarHBondContact O-CB 3.41Å; Y33-Q36 PolarHBondContact O-N 2.81Å; Y33-R37 WeakPolarHBondContact O-CB 3.39Å; Y33-R37 PolarHBondContact O-N 3.21Å
34	D	70.9	Confident	63.6	Low	90 Å²	90	111.9 Å²	111.9	48%	0.481	60%	0.604	S	S	.	*	H	α-helix	trans	-66.7	-37.2	175.6	-101.9	3	0	0	0	112.4	S30 I31 Q36 R37 A38	S30-D34 PolarHBondContact O-N 2.83Å; I31-D34 PolarHBondContact O-N 3.42Å; D34-Q36 VanDerWaalsContact C-N 3.34Å; D34-R37 PolarHBondContact O-N 2.81Å; D34-R37 IonicContact OD1-NH1 2.65Å; D34-A38 VanDerWaalsContact O-CB 3.23Å; D34-A38 WeakPolarHBondContact O-CB 3.01Å; D34-A38 PolarHBondContact O-N 2.84Å
35	K	68.2	Low	61	Low	151 Å²	151	110.8 Å²	110.8	66%	0.657	61%	0.612	S	S	*	*	H	α-helix	trans	-65.6	-36.3	171.5	-107.4	-178.4	174.9	176.3	0	112.2	I31 A32 K39	I31-K35 WeakPolarHBondContact O-CB 3.24Å; I31-K35 PolarHBondContact O-N 2.9Å; A32-K35 PolarHBondContact O-N 3.37Å; K35-K39 WeakPolarHBondContact O-CB 3.4Å; K35-K39 PolarHBondContact O-N 3.3Å
36	Q	60.2	Low	58.4	Low	136 Å²	136	114.6 Å²	114.6	64%	0.636	63%	0.629	S	S	*	*	H	α-helix	trans	-65.8	-47.1	174.4	-155.6	101.9	-17.5	0	0	109	A32 Y33 D34 A38 K39 T40	A32-Q36 WeakPolarHBondContact O-CB 3.34Å; A32-Q36 PolarHBondContact O-N 3.35Å; Y33-Q36 WeakPolarHBondContact O-CB 3.41Å; Y33-Q36 PolarHBondContact O-N 2.81Å; D34-Q36 VanDerWaalsContact C-N 3.34Å; Q36-A38 VanDerWaalsContact C-N 3.35Å; Q36-A38 PolarHBondContact O-N 2.94Å; Q36-K39 WeakPolarHBondContact O-CB 3.39Å; Q36-K39 PolarHBondContact O-N 3.48Å; Q36-K39 VanDerWaalsContact O-N 3.09Å; Q36-T40 PolarHBondContact O-N 3.22Å; Q36-T40 PolarHBondContact O-OG1 2.72Å
37	R	57.5	Low	56.3	Low	136 Å²	136	118.4 Å²	118.4	51%	0.513	64%	0.644	S	S	.	*	H	α-helix	trans	-60	-41.7	176.5	-138.6	-179.3	98	-173.4	9.8	112.5	Y33 D34 T40 Q41	Y33-R37 WeakPolarHBondContact O-CB 3.39Å; Y33-R37 PolarHBondContact O-N 3.21Å; D34-R37 PolarHBondContact O-N 2.81Å; D34-R37 IonicContact OD1-NH1 2.65Å; R37-T40 PolarHBondContact O-N 3.18Å; R37-Q41 PolarHBondContact O-N 2.86Å
38	A	52.2	Low	53.6	Low	65 Å²	65	118.3 Å²	118.3	54%	0.537	66%	0.658	S	S	.	*	H	α-helix	trans	-73.3	-23.7	175.9	0	0	0	0	0	113.2	D34 Q36 Q41	D34-A38 VanDerWaalsContact O-CB 3.23Å; D34-A38 WeakPolarHBondContact O-CB 3.01Å; D34-A38 PolarHBondContact O-N 2.84Å; Q36-A38 VanDerWaalsContact C-N 3.35Å; Q36-A38 PolarHBondContact O-N 2.94Å; A38-Q41 VanDerWaalsContact O-O 3.1Å
39	K	47.4	Very low	51.2	Low	181 Å²	181	124.1 Å²	124.1	79%	0.787	68%	0.681	S	S	*	*	H	α-helix	trans	-76.8	-30.1	168.3	-88.5	-176.9	173	-176.2	0	112.3	K35 Q36 Q41	K35-K39 WeakPolarHBondContact O-CB 3.4Å; K35-K39 PolarHBondContact O-N 3.3Å; Q36-K39 WeakPolarHBondContact O-CB 3.39Å; Q36-K39 PolarHBondContact O-N 3.48Å; Q36-K39 VanDerWaalsContact O-N 3.09Å; K39-Q41 VanDerWaalsContact C-N 3.34Å
40	T	44.4	Very low	48.8	Very low	116 Å²	116	125.1 Å²	125.1	71%	0.712	69%	0.692	S	S	*	*	H	α-helix	trans	-80.6	-15.3	175.2	-27.7	0	0	0	0	112.8	Q36 R37	Q36-T40 PolarHBondContact O-N 3.22Å; Q36-T40 PolarHBondContact O-OG1 2.72Å; R37-T40 PolarHBondContact O-N 3.18Å
41	Q	45.5	Very low	46.6	Very low	142 Å²	142	125.5 Å²	125.5	66%	0.664	71%	0.706	S	S	*	*	S	Bend	trans	-103.7	86.5	169.7	-75	-174	-27.9	0	0	110.1	R37 A38 K39	R37-Q41 PolarHBondContact O-N 2.86Å; A38-Q41 VanDerWaalsContact O-O 3.1Å; K39-Q41 VanDerWaalsContact C-N 3.34Å
42	G	32.8	Very low	44.1	Very low	72 Å²	72	126 Å²	126	74%	0.742	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-62.9	149.3	177.7	0	0	0	0	0	114
43	K	33	Very low	41.8	Very low	207 Å²	207	130.4 Å²	130.4	90%	0.9	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-70.7	154.4	175.4	-86.3	-179.6	174	-178.7	0	112.8
44	P	36.1	Very low	39.8	Very low	131 Å²	131	127.1 Å²	127.1	85%	0.851	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-85.5	140.6	-178.1	33.9	-32.6	0	0	0	113.2
45	G	29.4	Very low	38	Very low	71 Å²	71	130.6 Å²	130.6	73%	0.732	76%	0.758	S	S	*	*			trans	150.8	115.2	165.3	0	0	0	0	0	114.8
46	D	28	Very low	36.2	Very low	163 Å²	163	127.9 Å²	127.9	87%	0.872	76%	0.755	S	S	*	*			trans	85.1	89.2	160	-58.5	-13.8	0	0	0	121.3
47	E	34.7	Very low	34.9	Very low	195 Å²	195	126.5 Å²	126.5	91%	0.911	76%	0.759	S	S	*	*			trans	29.9	112.1	140.3	-65.1	-177.6	165.2	0	0	121.8
48	A	26.8	Very low	34	Very low	98 Å²	98	127 Å²	127	81%	0.81	78%	0.776	S	S	*	*				-171.8	99.5	122	0	0	0	0	0	111.8
49	D	32.5	Very low	33.4	Very low	162 Å²	162	129.4 Å²	129.4	87%	0.866	79%	0.785	S	S	*	*			trans	46	84	143.7	-139	10.3	0	0	0	120.8
50	T	27.6	Very low	33.7	Very low	138 Å²	138	126 Å²	126	85%	0.847	78%	0.782	S	S	*	*			trans	-144.7	108.1	147.1	50.5	0	0	0	0	108.9	S52	T50-S52 PolarHBondContact O-N 3.4Å
51	G	25.7	Very low	35	Very low	77 Å²	77	125.9 Å²	125.9	79%	0.794	77%	0.771	S	S	*	*			trans	-56.5	118.2	-176	0	0	0	0	0	113.3	T53	G51-T53 PolarHBondContact O-N 2.73Å
52	S	26.4	Very low	36.4	Very low	109 Å²	109	123.7 Å²	123.7	76%	0.762	77%	0.768	S	S	*	*			trans	-72.9	117.4	166.9	72.6	0	0	0	0	109.3	T50 S54	T50-S52 PolarHBondContact O-N 3.4Å; S52-S54 VanDerWaalsContact C-N 3.33Å; S52-S54 PolarHBondContact O-N 3.01Å
53	T	27.6	Very low	38.5	Very low	141 Å²	141	122.4 Å²	122.4	87%	0.865	75%	0.746	S	S	*	*			trans	-72.9	93.6	159.5	25.5	0	0	0	0	108.4	G51 I55	G51-T53 PolarHBondContact O-N 2.73Å; T53-I55 PolarHBondContact O-N 3.49Å
54	S	28.2	Very low	41.1	Very low	89 Å²	89	122.8 Å²	122.8	62%	0.622	74%	0.742	S	S	*	*			trans	-45.5	131	155.8	52.3	0	0	0	0	109.2	S52 P56	S52-S54 VanDerWaalsContact C-N 3.33Å; S52-S54 PolarHBondContact O-N 3.01Å; S54-P56 VanDerWaalsContact O-CD 3.23Å; S54-P56 WeakPolarHBondContact O-CD 3.35Å
55	I	34.5	Very low	43.9	Very low	162 Å²	162	120.9 Å²	120.9	83%	0.831	72%	0.722	S	S	*	*			trans	-53.1	115.4	166.1	-61.7	171.4	0	0	0	106.1	T53	T53-I55 PolarHBondContact O-N 3.49Å
56	P	29.7	Very low	46.9	Very low	94 Å²	94	120.3 Å²	120.3	61%	0.61	71%	0.705	S	S	*	*			trans	-61.7	143.1	178.7	-16.3	28.9	0	0	0	108	S54 T58	S54-P56 VanDerWaalsContact O-CD 3.23Å; S54-P56 WeakPolarHBondContact O-CD 3.35Å; P56-T58 PolarHBondContact O-N 3.42Å
57	P	33.7	Very low	50.1	Low	108 Å²	108	114.7 Å²	114.7	70%	0.701	67%	0.672	S	S	*	*			trans	-50.4	130	158.9	-13.3	25.9	0	0	0	106.7	T59	P57-T59 PolarHBondContact O-N 3.35Å; P57-T59 PolarHBondContact O-OG1 2.89Å
58	T	38.1	Very low	53	Low	145 Å²	145	106.5 Å²	106.5	89%	0.89	63%	0.634	S	S	*	*			trans	-67.6	71.6	168.2	23.1	0	0	0	0	108.3	P56	P56-T58 PolarHBondContact O-N 3.42Å
59	T	39.9	Very low	56.3	Low	117 Å²	117	107.8 Å²	107.8	72%	0.718	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-53.2	123.5	152.5	13.4	0	0	0	0	106.2	P57 F61	P57-T59 PolarHBondContact O-N 3.35Å; P57-T59 PolarHBondContact O-OG1 2.89Å; T59-F61 PolarHBondContact O-N 3.25Å; T59-F61 VanDerWaalsContact O-N 3.11Å
60	P	53.8	Low	59.3	Low	110 Å²	110	103 Å²	103	71%	0.714	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-53.8	123.9	176.9	18.8	-28.8	0	0	0	108.3	T62	P60-T62 PolarHBondContact O-N 3.38Å; P60-T62 PolarHBondContact O-OG1 2.9Å
61	F	70.2	Confident	62.6	Low	112 Å²	112	99.6 Å²	99.6	49%	0.491	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-58.7	118.1	-179.7	178.4	-82.3	0	0	0	108.3	T59 P63 D68 R154	T59-F61 PolarHBondContact O-N 3.25Å; T59-F61 VanDerWaalsContact O-N 3.11Å; F61-P63 HydrophobicContact CD1-CG 4.31Å; F61-P63 HydrophobicContact CE1-CB 4.27Å; F61-P63 HydrophobicContact CE1-CG 4.16Å; F61-D68 HydrophobicContact CE1-CB 3.85Å; F61-D68 HydrophobicContact CZ-CB 3.95Å; F61-R154 VanDerWaalsContact CE1-CZ 3.42Å
62	T	75.6	Confident	66	Low	97 Å²	97	96.5 Å²	96.5	60%	0.595	53%	0.526	S	S	*	.			trans	-98	115.3	174.8	-51	0	0	0	0	107.3	P60 R64	P60-T62 PolarHBondContact O-N 3.38Å; P60-T62 PolarHBondContact O-OG1 2.9Å; T62-R64 PolarHBondContact O-N 3.43Å
63	P	77.9	Confident	69.4	Low	45 Å²	45	93.6 Å²	93.6	29%	0.292	50%	0.504	S	S	.	.			trans	-55.2	130.2	175.1	-23.6	34	0	0	0	111.2	F61 D68 Y69	F61-P63 HydrophobicContact CD1-CG 4.31Å; F61-P63 HydrophobicContact CE1-CB 4.27Å; F61-P63 HydrophobicContact CE1-CG 4.16Å; P63-D68 HydrophobicContact CB-CB 3.78Å; P63-Y69 HydrophobicContact CB-CD1 4.24Å; P63-Y69 HydrophobicContact CB-CD2 4.23Å; P63-Y69 HydrophobicContact CB-CE1 3.85Å; P63-Y69 HydrophobicContact CB-CE2 3.83Å; P63-Y69 HydrophobicContact CB-CG 4.42Å; P63-Y69 HydrophobicContact CG-CE1 4.25Å
64	R	87.4	Confident	72.6	Confident	215 Å²	215	91.5 Å²	91.5	81%	0.811	49%	0.488	S	S	*	.			trans	-118	-34.8	179.5	-67.1	-175.3	-177.9	-178.3	0	111.9	T62 D68	T62-R64 PolarHBondContact O-N 3.43Å; R64-D68 PolarHBondContact N-OD2 3.34Å
65	E	93.8	Very high	75.9	Confident	91 Å²	91	87.9 Å²	87.9	43%	0.425	46%	0.463	S	S	.	.	S	Bend	trans	-110.2	157.4	-176.5	-59.5	-64.2	162	0	0	111.5	W67 D68 Y69	E65-W67 HydrophobicContact CB-CD2 3.87Å; E65-W67 HydrophobicContact CB-CE3 4.46Å; E65-W67 HydrophobicContact CB-CG 4.3Å; E65-W67 HydrophobicContact CB-CH2 4.13Å; E65-W67 HydrophobicContact CB-CZ2 3.49Å; E65-W67 VanDerWaalsContact CB-CZ2 3.49Å; E65-W67 HydrophobicContact CG-CH2 4.24Å; E65-W67 HydrophobicContact CG-CZ2 3.49Å; E65-W67 VanDerWaalsContact CG-CZ2 3.49Å; E65-W67 PolarHBondContact O-N 2.93Å; E65-D68 PolarHBondContact N-OD2 3.39Å; E65-D68 VanDerWaalsContact O-CB 3.26Å; E65-D68 WeakPolarHBondContact O-CB 3.41Å; E65-D68 PolarHBondContact O-N 3.3Å; E65-Y69 WeakPolarHBondContact O-CD2 3.41Å
66	P	93.6	Very high	78.9	Confident	58 Å²	58	80.3 Å²	80.3	38%	0.377	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-56	-34.4	-179.9	-27.1	35.6	0	0	0	114.4	D68 L115 L117	P66-D68 PolarHBondContact O-N 3.23Å; P66-L115 HydrophobicContact CB-CD2 3.79Å; P66-L115 HydrophobicContact CG-CD2 4.03Å; P66-L117 HydrophobicContact CB-CD1 4.24Å
67	W	95.4	Very high	82.2	Confident	45 Å²	45	78.3 Å²	78.3	17%	0.17	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-77.2	-3.6	178.3	52.1	73.5	0	0	0	114.4	E65 L115 L117 W150 V152 T155 Y157 V159	E65-W67 HydrophobicContact CB-CD2 3.87Å; E65-W67 HydrophobicContact CB-CE3 4.46Å; E65-W67 HydrophobicContact CB-CG 4.3Å; E65-W67 HydrophobicContact CB-CH2 4.13Å; E65-W67 HydrophobicContact CB-CZ2 3.49Å; E65-W67 VanDerWaalsContact CB-CZ2 3.49Å; E65-W67 HydrophobicContact CG-CH2 4.24Å; E65-W67 HydrophobicContact CG-CZ2 3.49Å; E65-W67 VanDerWaalsContact CG-CZ2 3.49Å; E65-W67 PolarHBondContact O-N 2.93Å; W67-L115 HydrophobicContact CE3-CD1 4.15Å; W67-L115 HydrophobicContact CE3-CD2 4.01Å; W67-L115 HydrophobicContact CZ3-CD1 3.97Å; W67-L115 HydrophobicContact CZ3-CD2 4.14Å; W67-L117 HydrophobicContact CB-CD1 4.32Å; W67-L117 HydrophobicContact CB-CD2 3.96Å; W67-W150 AromaticContact CD2-CZ2 3.94Å; W67-W150 HydrophobicContact CD2-CZ2 3.94Å; W67-W150 AromaticContact CE2-CZ2 3.85Å; W67-W150 HydrophobicContact CE3-CH2 4.43Å; W67-W150 AromaticContact CE3-CZ2 3.88Å; W67-W150 HydrophobicContact CE3-CZ2 3.88Å; W67-W150 AromaticContact CH2-CH2 3.98Å; W67-W150 HydrophobicContact CH2-CH2 3.98Å; W67-W150 AromaticContact CH2-CZ2 3.7Å; W67-W150 HydrophobicContact CH2-CZ2 3.7Å; W67-W150 HydrophobicContact CZ2-CH2 4.43Å; W67-W150 AromaticContact CZ2-CZ2 3.73Å; W67-W150 HydrophobicContact CZ2-CZ2 3.73Å; W67-W150 AromaticContact CZ3-CH2 3.97Å; W67-W150 HydrophobicContact CZ3-CH2 3.97Å; W67-W150 AromaticContact CZ3-CZ2 3.77Å; W67-W150 HydrophobicContact CZ3-CZ2 3.77Å; W67-V152 HydrophobicContact CB-CG2 4.24Å; W67-V152 HydrophobicContact CG-CG2 4.15Å; W67-T155 WeakPolarHBondContact O-CB 3.33Å; W67-T155 WeakPolarHBondContact O-CG2 3.4Å; W67-T155 PolarHBondContact O-OG1 3.25Å; W67-Y157 HydrophobicContact CB-CD2 4.19Å; W67-V159 HydrophobicContact CB-CG2 3.83Å; W67-V159 HydrophobicContact CD2-CG1 4.49Å; W67-V159 HydrophobicContact CD2-CG2 4.36Å; W67-V159 HydrophobicContact CE3-CG1 3.85Å; W67-V159 HydrophobicContact CE3-CG2 4.45Å; W67-V159 HydrophobicContact CG-CG2 4.12Å; W67-V159 HydrophobicContact CZ3-CG1 4.29Å
68	D	95.1	Very high	85.3	Confident	23 Å²	23	73.2 Å²	73.2	12%	0.123	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-83.7	-17.7	175.3	-68.2	-28.8	0	0	0	113	F61 P63 R64 E65 P66 R154	F61-D68 HydrophobicContact CE1-CB 3.85Å; F61-D68 HydrophobicContact CZ-CB 3.95Å; P63-D68 HydrophobicContact CB-CB 3.78Å; R64-D68 PolarHBondContact N-OD2 3.34Å; E65-D68 PolarHBondContact N-OD2 3.39Å; E65-D68 VanDerWaalsContact O-CB 3.26Å; E65-D68 WeakPolarHBondContact O-CB 3.41Å; E65-D68 PolarHBondContact O-N 3.3Å; P66-D68 PolarHBondContact O-N 3.23Å; D68-R154 PolarHBondContact O-NH2 3.17Å
69	Y	95.3	Very high	88.1	Confident	126 Å²	126	68.5 Å²	68.5	49%	0.494	35%	0.346	S	S	.	.	S	Bend	trans	-84.3	145.7	174.1	-62.9	-89.1	0	0	0	110.2	P63 E65 Y157	P63-Y69 HydrophobicContact CB-CD1 4.24Å; P63-Y69 HydrophobicContact CB-CD2 4.23Å; P63-Y69 HydrophobicContact CB-CE1 3.85Å; P63-Y69 HydrophobicContact CB-CE2 3.83Å; P63-Y69 HydrophobicContact CB-CG 4.42Å; P63-Y69 HydrophobicContact CG-CE1 4.25Å; E65-Y69 WeakPolarHBondContact O-CD2 3.41Å; Y69-Y157 VanDerWaalsContact O-CE2 3.27Å; Y69-Y157 WeakPolarHBondContact O-CE2 3.38Å; Y69-Y157 PolarHBondContact O-OH 3.47Å
70	Y	95.7	Very high	90.9	Very high	62 Å²	62	65.7 Å²	65.7	24%	0.243	33%	0.329	C	S	.	.	S	Bend	trans	-80.2	-19.3	-178	-80.5	-87.8	0	0	0	114.3	R154 T155 Y157 T459	Y70-R154 WeakPolarHBondContact CE1-O 3.29Å; Y70-T155 HydrophobicContact CD1-CG2 4.19Å; Y70-T155 HydrophobicContact CD2-CG2 4.37Å; Y70-T155 HydrophobicContact CE1-CG2 4.26Å; Y70-T155 HydrophobicContact CE2-CG2 4.43Å; Y70-T155 HydrophobicContact CG-CG2 4.24Å; Y70-Y157 PolarHBondContact O-OH 3.06Å; Y70-T459 HydrophobicContact CD1-CG2 4.44Å; Y70-T459 HydrophobicContact CD2-CG2 4.18Å; Y70-T459 HydrophobicContact CE1-CG2 4.05Å; Y70-T459 HydrophobicContact CE2-CG2 3.76Å; Y70-T459 HydrophobicContact CG-CG2 4.5Å
71	R	96.9	Very high	93.1	Very high	65 Å²	65	60.4 Å²	60.4	25%	0.245	30%	0.295	C	S	.	.	S	Bend	trans	-92.5	133.3	-179.4	-64.1	-61.9	-56.9	-81.5	-0	110.2	Y157 E222 E454	R71-Y157 VanDerWaalsContact C-OH 3.28Å; R71-E222 WeakPolarHBondContact CA-OE1 3.34Å; R71-E222 IonicContact CZ-OE2 2.73Å; R71-E222 IonicContact NE-OE1 3.91Å; R71-E222 PolarHBondContact NE-OE1 3.2Å; R71-E222 IonicContact NE-OE2 2.8Å; R71-E222 PolarHBondContact NE-OE2 2.9Å; R71-E222 VanDerWaalsContact NE-OE2 3.09Å; R71-E222 IonicContact NH2-OE2 3.76Å; R71-E222 PolarHBondContact NH2-OE2 3.44Å; R71-E454 IonicContact NH1-OE2 3.3Å; R71-E454 PolarHBondContact NH1-OE2 3.28Å; R71-E454 VanDerWaalsContact NH1-OE2 3.09Å
72	L	97.8	Very high	94.4	Very high	12 Å²	12	58.8 Å²	58.8	6%	0.063	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-63.5	141.9	174.2	-76.9	170.4	0	0	0	110.5	L117 H119 Y157 F220 E222 M225	L72-L117 HydrophobicContact CD2-CB 3.85Å; L72-L117 VanDerWaalsContact CD2-O 3.32Å; L72-L117 WeakPolarHBondContact CD2-O 3.41Å; L72-H119 WeakPolarHBondContact CD1-ND1 3.34Å; L72-Y157 HydrophobicContact CD2-CD1 4.1Å; L72-Y157 HydrophobicContact CD2-CE1 3.35Å; L72-Y157 HydrophobicContact CG-CE1 3.92Å; L72-Y157 PolarHBondContact N-OH 3.46Å; L72-F220 HydrophobicContact CD1-CB 4.18Å; L72-F220 HydrophobicContact CD1-CD1 4.03Å; L72-E222 HydrophobicContact CD1-CG 4.16Å; L72-E222 PolarHBondContact N-OE1 3.38Å; L72-M225 HydrophobicContact CB-CE 3.7Å; L72-M225 HydrophobicContact CB-SD 4.26Å; L72-M225 HydrophobicContact CD1-CE 4.32Å; L72-M225 HydrophobicContact CD1-SD 3.76Å
73	P	96.3	Very high	95.5	Very high	48 Å²	48	54.2 Å²	54.2	31%	0.312	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-61.8	148.2	170.5	-21.8	33	0	0	0	111.9	S75 L117	P73-S75 PolarHBondContact O-N 3.49Å; P73-L117 HydrophobicContact CG-CD1 3.92Å
74	D	95.1	Very high	96.5	Very high	97 Å²	97	53.1 Å²	53.1	52%	0.519	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	10.3	176.1	70.5	-11.7	0	0	0	113.6	L76 K111	D74-L76 VanDerWaalsContact C-N 3.34Å; D74-K111 WeakPolarHBondContact OD1-CE 3.29Å; D74-K111 IonicContact OD1-NZ 3.11Å; D74-K111 PolarHBondContact OD1-NZ 2.98Å; D74-K111 WeakPolarHBondContact OD2-CE 3.13Å; D74-K111 IonicContact OD2-NZ 3.13Å; D74-K111 PolarHBondContact OD2-NZ 3Å
75	S	97.6	Very high	97.1	Very high	13 Å²	13	42.9 Å²	42.9	9%	0.091	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-26.8	-178.3	55.1	0	0	0	0	113.1	P73 K110 K111	P73-S75 PolarHBondContact O-N 3.49Å; S75-K110 PolarHBondContact O-N 2.65Å; S75-K111 PolarHBondContact O-N 3.24Å
76	L	98.4	Very high	97.3	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	137.5	-175.7	-54	179.7	0	0	0	110.1	D74 F107 C109 T113 I116 L166 F220	D74-L76 VanDerWaalsContact C-N 3.34Å; L76-F107 HydrophobicContact CB-CD2 4.13Å; L76-F107 HydrophobicContact CD1-CD2 4.18Å; L76-F107 HydrophobicContact CD1-CE2 3.95Å; L76-F107 HydrophobicContact CD2-CD2 3.93Å; L76-F107 HydrophobicContact CD2-CE2 3.85Å; L76-F107 HydrophobicContact CG-CD2 4.3Å; L76-F107 HydrophobicContact CG-CE2 4.37Å; L76-C109 HydrophobicContact CD2-CB 4.29Å; L76-T113 HydrophobicContact CD2-CG2 3.76Å; L76-T113 HydrophobicContact CG-CG2 4.21Å; L76-I116 HydrophobicContact CD1-CB 3.97Å; L76-I116 HydrophobicContact CD1-CG1 3.81Å; L76-I116 HydrophobicContact CD1-CG2 3.79Å; L76-L166 HydrophobicContact CD2-CD1 3.78Å; L76-F220 HydrophobicContact CB-CE1 3.97Å; L76-F220 HydrophobicContact CB-CZ 4.09Å; L76-F220 HydrophobicContact CD1-CE1 4.4Å; L76-F220 HydrophobicContact CD1-CZ 4.28Å
77	V	98	Very high	97.5	Very high	52 Å²	52	37 Å²	37	32%	0.315	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	121.2	179.8	178.3	0	0	0	0	109.3	F107 R108 K110	V77-F107 CarbonylContact O-C 3.4Å; V77-F107 VanDerWaalsContact O-CA 3.27Å; V77-F107 WeakPolarHBondContact O-CA 3.22Å; V77-F107 WeakPolarHBondContact O-CB 3.27Å; V77-R108 PolarHBondContact N-O 2.86Å; V77-R108 PolarHBondContact O-N 2.97Å; V77-K110 HydrophobicContact CB-CG 4.45Å; V77-K110 HydrophobicContact CG2-CG 3.63Å
78	P	98.6	Very high	97.5	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.013	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	149.4	176.7	31.4	-37.2	0	0	0	111.1	Y81 V105 F220 M225 A227	P78-Y81 HydrophobicContact CB-CE2 3.76Å; P78-Y81 HydrophobicContact CG-CE2 4.49Å; P78-V105 HydrophobicContact CB-CG2 4.14Å; P78-F220 HydrophobicContact CB-CB 4.48Å; P78-F220 HydrophobicContact CB-CD2 3.78Å; P78-F220 HydrophobicContact CB-CE2 4.4Å; P78-F220 HydrophobicContact CB-CG 4.37Å; P78-F220 HydrophobicContact CG-CB 3.97Å; P78-F220 HydrophobicContact CG-CD2 4.12Å; P78-F220 HydrophobicContact CG-CG 4.2Å; P78-M225 HydrophobicContact CG-CB 3.88Å; P78-M225 VanDerWaalsContact CG-O 3.27Å; P78-M225 WeakPolarHBondContact CG-O 3.37Å; P78-A227 HydrophobicContact CB-CB 4.15Å; P78-A227 HydrophobicContact CG-CB 4.43Å
79	L	98.4	Very high	97.5	Very high	46 Å²	46	37.3 Å²	37.3	24%	0.241	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	-56.2	178.2	-59.1	-178.8	0	0	0	110.6	V106 R108 A227 N228	L79-V106 WeakPolarHBondContact CB-O 3.46Å; L79-V106 HydrophobicContact CD1-CG1 4.35Å; L79-V106 PolarHBondContact N-O 3.36Å; L79-R108 HydrophobicContact CD1-CB 4.19Å; L79-R108 HydrophobicContact CD2-CB 4.47Å; L79-R108 HydrophobicContact CG-CB 4.42Å; L79-A227 WeakPolarHBondContact O-CA 3.24Å; L79-A227 WeakPolarHBondContact O-CB 3.31Å; L79-N228 PolarHBondContact O-N 2.69Å
80	T	98.7	Very high	97.4	Very high	57 Å²	57	37.2 Å²	37.2	35%	0.35	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	147.5	-178	62.9	0	0	0	0	110.9	V105 V106 N228	T80-V105 WeakPolarHBondContact O-CA 3.42Å; T80-V106 PolarHBondContact N-O 3.16Å; T80-V106 PolarHBondContact O-N 3.03Å; T80-N228 CarbonylContact C-O 3.59Å; T80-N228 VanDerWaalsContact CA-O 3.3Å; T80-N228 WeakPolarHBondContact CA-O 3.47Å; T80-N228 HydrophobicContact CG2-CB 4.23Å
81	Y	98.9	Very high	97.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.1	172.4	-69	-98	0	0	0	110.1	P78 S104 V105 F217 C219 F220 A227 N228 F229 S230	P78-Y81 HydrophobicContact CB-CE2 3.76Å; P78-Y81 HydrophobicContact CG-CE2 4.49Å; Y81-S104 CarbonylContact C-O 3.46Å; Y81-S104 WeakPolarHBondContact CA-O 3.49Å; Y81-V105 HydrophobicContact CD1-CB 3.58Å; Y81-V105 HydrophobicContact CD1-CG2 3.72Å; Y81-V105 HydrophobicContact CD2-CG2 4.33Å; Y81-V105 HydrophobicContact CE1-CB 3.47Å; Y81-V105 VanDerWaalsContact CE1-CB 3.47Å; Y81-V105 HydrophobicContact CE1-CG1 4.36Å; Y81-V105 HydrophobicContact CE1-CG2 3.33Å; Y81-V105 HydrophobicContact CE2-CG2 3.99Å; Y81-V105 HydrophobicContact CG-CB 4.37Å; Y81-V105 HydrophobicContact CG-CG2 4.21Å; Y81-V105 VanDerWaalsContact CZ-CG2 3.49Å; Y81-F217 AromaticContact CD1-CE2 3.94Å; Y81-F217 HydrophobicContact CD1-CE2 3.94Å; Y81-F217 HydrophobicContact CE1-CE2 4.15Å; Y81-C219 HydrophobicContact CE1-CB 3.85Å; Y81-F220 WeakPolarHBondContact OH-CD2 3.41Å; Y81-F220 PolarHBondContact OH-N 2.92Å; Y81-A227 HydrophobicContact CD2-CB 3.56Å; Y81-A227 HydrophobicContact CE2-CB 3.47Å; Y81-A227 VanDerWaalsContact CE2-CB 3.47Å; Y81-N228 PolarHBondContact N-O 3.3Å; Y81-F229 HydrophobicContact CD1-CE1 4.4Å; Y81-F229 AromaticContact CD2-CD1 3.89Å; Y81-F229 HydrophobicContact CD2-CD1 3.89Å; Y81-F229 AromaticContact CD2-CE1 3.38Å; Y81-F229 HydrophobicContact CD2-CE1 3.38Å; Y81-F229 AromaticContact CD2-CZ 3.77Å; Y81-F229 HydrophobicContact CD2-CZ 3.77Å; Y81-F229 AromaticContact CE2-CE1 3.89Å; Y81-F229 HydrophobicContact CE2-CE1 3.89Å; Y81-F229 AromaticContact CE2-CZ 3.97Å; Y81-F229 HydrophobicContact CE2-CZ 3.97Å; Y81-F229 AromaticContact CG-CD1 3.92Å; Y81-F229 HydrophobicContact CG-CD1 3.92Å; Y81-F229 AromaticContact CG-CE1 3.67Å; Y81-F229 HydrophobicContact CG-CE1 3.67Å; Y81-F229 HydrophobicContact CG-CZ 4.49Å; Y81-S230 PolarHBondContact O-N 3.09Å
82	N	98.7	Very high	97	Very high	77 Å²	77	35.9 Å²	35.9	41%	0.412	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.9	160.5	-65.5	-27.9	0	0	0	107.3	S103 S104 S230	N82-S103 WeakPolarHBondContact O-CA 3.38Å; N82-S103 PolarHBondContact O-OG 2.95Å; N82-S103 VanDerWaalsContact O-OG 3.12Å; N82-S104 PolarHBondContact N-O 3.34Å; N82-S104 PolarHBondContact O-N 3.45Å; N82-S230 WeakPolarHBondContact CA-O 3.4Å; N82-S230 WeakPolarHBondContact OD1-CB 3.09Å
83	V	98.8	Very high	96.7	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	118.2	-176.5	-174.6	0	0	0	0	109.2	L85 F217 S230 V231 T232	V83-L85 HydrophobicContact CG1-CD1 4.31Å; V83-L85 HydrophobicContact CG1-CD2 4.27Å; V83-L85 HydrophobicContact CG1-CG 3.99Å; V83-F217 HydrophobicContact CG1-CD1 4.32Å; V83-F217 HydrophobicContact CG1-CG 4.25Å; V83-F217 HydrophobicContact CG2-CD2 4.02Å; V83-F217 HydrophobicContact CG2-CE2 3.94Å; V83-F217 HydrophobicContact CG2-CG 4.43Å; V83-F217 HydrophobicContact CG2-CZ 4.33Å; V83-S230 PolarHBondContact N-O 2.92Å; V83-V231 WeakPolarHBondContact O-CA 3.34Å; V83-T232 PolarHBondContact O-N 3.2Å
84	T	98.8	Very high	96.4	Very high	21 Å²	21	43.5 Å²	43.5	13%	0.129	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.6	172.2	-54.8	0	0	0	0	109.6	G101 H102 T232 I234	T84-G101 CarbonylContact O-C 3.59Å; T84-G101 WeakPolarHBondContact O-CA 3.1Å; T84-H102 WeakPolarHBondContact CB-CE1 3.26Å; T84-H102 VanDerWaalsContact CB-NE2 3.27Å; T84-H102 WeakPolarHBondContact CB-NE2 3.21Å; T84-H102 PolarHBondContact N-O 3.49Å; T84-H102 PolarHBondContact O-N 2.74Å; T84-H102 PolarHBondContact OG1-CE1 3.27Å; T84-H102 PolarHBondContact OG1-NE2 2.98Å; T84-T232 VanDerWaalsContact CA-O 3.25Å; T84-T232 WeakPolarHBondContact CA-O 3.23Å; T84-T232 HydrophobicContact CG2-CG2 4.21Å; T84-I234 HydrophobicContact CG2-CD1 3.97Å; T84-I234 HydrophobicContact CG2-CG1 4.16Å
85	L	98.7	Very high	96.1	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	143.7	178.5	-59.8	174.2	0	0	0	111.4	V83 F99 F178 F189 T232 I233 I234 F278	V83-L85 HydrophobicContact CG1-CD1 4.31Å; V83-L85 HydrophobicContact CG1-CD2 4.27Å; V83-L85 HydrophobicContact CG1-CG 3.99Å; L85-F99 HydrophobicContact CD2-CD2 4.22Å; L85-F99 HydrophobicContact CD2-CE2 4.39Å; L85-F178 HydrophobicContact CD2-CE2 3.94Å; L85-F178 HydrophobicContact CD2-CZ 4.25Å; L85-F189 HydrophobicContact CB-CE1 4.2Å; L85-F189 HydrophobicContact CD1-CD1 4.2Å; L85-F189 HydrophobicContact CD1-CE1 4.12Å; L85-T232 PolarHBondContact N-O 2.8Å; L85-I233 HydrophobicContact CB-CD1 3.95Å; L85-I233 HydrophobicContact CD1-CD1 4.41Å; L85-I234 PolarHBondContact O-N 3.42Å; L85-F278 HydrophobicContact CD1-CD1 3.9Å; L85-F278 HydrophobicContact CD1-CD2 4.18Å; L85-F278 HydrophobicContact CD1-CE1 3.44Å; L85-F278 VanDerWaalsContact CD1-CE1 3.44Å; L85-F278 HydrophobicContact CD1-CE2 3.79Å; L85-F278 HydrophobicContact CD1-CG 4.23Å; L85-F278 HydrophobicContact CD1-CZ 3.36Å
86	W	98.1	Very high	95.9	Very high	22 Å²	22	48 Å²	48	8%	0.083	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	91.8	173.2	-172.4	10.4	0	0	0	110.8	R88 F99 T100 I234 R255 D256 V258 V260	W86-R88 VanDerWaalsContact CZ3-NH2 3.33Å; W86-R88 WeakPolarHBondContact O-CD 2.81Å; W86-R88 PolarHBondContact O-NH1 2.94Å; W86-F99 VanDerWaalsContact O-CA 3.26Å; W86-F99 WeakPolarHBondContact O-CA 3.37Å; W86-T100 PolarHBondContact N-O 3.01Å; W86-T100 PolarHBondContact O-N 3.08Å; W86-T100 VanDerWaalsContact O-N 3.13Å; W86-I234 HydrophobicContact CB-CB 3.85Å; W86-I234 HydrophobicContact CB-CD1 4.36Å; W86-I234 HydrophobicContact CB-CG2 4.38Å; W86-I234 HydrophobicContact CD2-CB 4.37Å; W86-I234 HydrophobicContact CD2-CG2 3.91Å; W86-I234 HydrophobicContact CG-CB 3.77Å; W86-I234 HydrophobicContact CG-CG2 3.77Å; W86-R255 HydrophobicContact CH2-CB 3.75Å; W86-R255 WeakPolarHBondContact CH2-O 3.46Å; W86-R255 HydrophobicContact CZ2-CB 4.46Å; W86-R255 HydrophobicContact CZ3-CB 3.79Å; W86-D256 HydrophobicContact CH2-CB 4.09Å; W86-D256 HydrophobicContact CZ3-CB 4.29Å; W86-D256 VanDerWaalsContact CZ3-OD2 3.29Å; W86-D256 WeakPolarHBondContact CZ3-OD2 3.28Å; W86-V258 HydrophobicContact CH2-CB 4.5Å; W86-V258 HydrophobicContact CZ2-CB 4.3Å; W86-V260 HydrophobicContact CH2-CG1 4.49Å; W86-V260 HydrophobicContact CZ2-CG1 3.64Å
87	P	97.8	Very high	95.8	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.032	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	140.7	170.8	31.7	-36.6	0	0	0	111.5	F99 L182 F189 A204 I234 V280	P87-F99 HydrophobicContact CB-CB 4.39Å; P87-L182 HydrophobicContact CB-CD2 4.3Å; P87-F189 HydrophobicContact CB-CE1 3.76Å; P87-F189 HydrophobicContact CB-CE2 4.45Å; P87-F189 HydrophobicContact CB-CZ 3.58Å; P87-F189 HydrophobicContact CG-CE1 4.06Å; P87-F189 HydrophobicContact CG-CZ 3.63Å; P87-A204 HydrophobicContact CB-CB 3.76Å; P87-A204 HydrophobicContact CG-CB 4.11Å; P87-I234 WeakPolarHBondContact CD-O 3.46Å; P87-V280 HydrophobicContact CG-CB 4.17Å; P87-V280 HydrophobicContact CG-CG2 3.69Å
88	R	95.8	Very high	95.8	Very high	50 Å²	50	47.9 Å²	47.9	19%	0.189	26%	0.262	C	S	.	.			trans	-103.6	113.9	171.3	-75.4	58.2	168.9	-132.7	4.3	107.7	W86 K90 I98 T100	W86-R88 VanDerWaalsContact CZ3-NH2 3.33Å; W86-R88 WeakPolarHBondContact O-CD 2.81Å; W86-R88 PolarHBondContact O-NH1 2.94Å; R88-K90 PolarHBondContact O-N 3.33Å; R88-I98 HydrophobicContact CB-CG1 4.41Å; R88-I98 HydrophobicContact CG-CG1 4.48Å; R88-I98 PolarHBondContact N-O 2.8Å; R88-T100 VanDerWaalsContact CZ-OG1 3.24Å; R88-T100 VanDerWaalsContact NH1-N 3.13Å; R88-T100 PolarHBondContact NH1-OG1 3.28Å; R88-T100 PolarHBondContact NH2-OG1 2.79Å
89	L	95.5	Very high	95.8	Very high	23 Å²	23	47.9 Å²	47.9	12%	0.12	26%	0.262	C	S	.	.	S	Bend	trans	-81.2	9.2	178.7	-56.9	-174.2	0	0	0	113.3	Y97 L182 V202 A204 T239 V280	L89-Y97 WeakPolarHBondContact O-CE1 3.28Å; L89-L182 HydrophobicContact CD2-CD2 4.45Å; L89-V202 HydrophobicContact CB-CB 4.45Å; L89-V202 HydrophobicContact CD2-CG1 4.25Å; L89-A204 HydrophobicContact CD2-CB 3.61Å; L89-T239 HydrophobicContact CD1-CG2 4.08Å; L89-V280 HydrophobicContact CD1-CG1 4.09Å
90	K	93.6	Very high	95.8	Very high	125 Å²	125	47.8 Å²	47.8	54%	0.543	26%	0.263	S	S	.	.	S	Bend	trans	-125.5	141.8	174.3	-68.9	170.1	-178.6	159.8	0	108.2	R88 E236	R88-K90 PolarHBondContact O-N 3.33Å; K90-E236 IonicContact NZ-OE1 3.09Å; K90-E236 PolarHBondContact NZ-OE1 2.91Å; K90-E236 IonicContact NZ-OE2 3.33Å; K90-E236 PolarHBondContact NZ-OE2 2.92Å
91	P	93.7	Very high	95.8	Very high	52 Å²	52	45.5 Å²	45.5	34%	0.338	25%	0.251	S	S	.	.			trans	-67.2	150.4	177.7	29.2	-32.7	0	0	0	110.4	M96 Y97	P91-M96 CarbonylContact C-O 3.51Å; P91-M96 WeakPolarHBondContact CA-O 3.25Å; P91-Y97 HydrophobicContact CB-CD2 4.21Å; P91-Y97 HydrophobicContact CB-CE2 3.95Å; P91-Y97 HydrophobicContact CG-CE2 4.34Å
92	N	90.7	Very high	95.7	Very high	46 Å²	46	48.7 Å²	48.7	25%	0.246	27%	0.265	C	S	.	.			trans	-76.5	-175	171.6	79.1	-17.3	0	0	0	111.3	D94 N95 M96	N92-D94 PolarHBondContact ND2-OD2 3.2Å; N92-D94 PolarHBondContact O-N 2.75Å; N92-D94 VanDerWaalsContact O-N 3.14Å; N92-D94 WeakPolarHBondContact OD1-CA 3.49Å; N92-D94 PolarHBondContact OD1-N 2.76Å; N92-N95 PolarHBondContact O-N 3.42Å; N92-N95 PolarHBondContact OD1-N 3.03Å; N92-M96 PolarHBondContact N-O 3.39Å; N92-M96 WeakPolarHBondContact OD1-CB 3.33Å; N92-M96 PolarHBondContact OD1-N 3.2Å; N92-M96 PolarHBondContact OD1-O 2.8Å
93	A	90.8	Very high	95.7	Very high	108 Å²	108	45.1 Å²	45.1	89%	0.893	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-24	178.5	0	0	0	0	0	114.3	N95	A93-N95 VanDerWaalsContact C-N 3.28Å
94	D	90.1	Very high	95.7	Very high	113 Å²	113	45.6 Å²	45.6	60%	0.604	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	11.2	178	-46.6	-57.2	0	0	0	112.6	N92 M96	N92-D94 PolarHBondContact ND2-OD2 3.2Å; N92-D94 PolarHBondContact O-N 2.75Å; N92-D94 VanDerWaalsContact O-N 3.14Å; N92-D94 WeakPolarHBondContact OD1-CA 3.49Å; N92-D94 PolarHBondContact OD1-N 2.76Å; D94-M96 VanDerWaalsContact C-N 3.26Å; D94-M96 HydrophobicContact CB-CE 4Å; D94-M96 HydrophobicContact CB-CG 4.36Å; D94-M96 PolarHBondContact O-N 3.31Å
95	N	89.4	Confident	95.7	Very high	127 Å²	127	44.8 Å²	44.8	68%	0.679	25%	0.245	S	C	*	.	S	Bend	trans	61.5	28.2	-174.1	-161.5	44.5	0	0	0	114.2	N92 A93	N92-N95 PolarHBondContact O-N 3.42Å; N92-N95 PolarHBondContact OD1-N 3.03Å; A93-N95 VanDerWaalsContact C-N 3.28Å
96	M	93.2	Very high	95.7	Very high	77 Å²	77	45.9 Å²	45.9	38%	0.379	25%	0.252	S	S	.	.			trans	-107.7	136	178	-64	-169	-64.5	0	0	112.1	P91 N92 D94 I98	P91-M96 CarbonylContact C-O 3.51Å; P91-M96 WeakPolarHBondContact CA-O 3.25Å; N92-M96 PolarHBondContact N-O 3.39Å; N92-M96 WeakPolarHBondContact OD1-CB 3.33Å; N92-M96 PolarHBondContact OD1-N 3.2Å; N92-M96 PolarHBondContact OD1-O 2.8Å; D94-M96 VanDerWaalsContact C-N 3.26Å; D94-M96 HydrophobicContact CB-CE 4Å; D94-M96 HydrophobicContact CB-CG 4.36Å; D94-M96 PolarHBondContact O-N 3.31Å; M96-I98 HydrophobicContact CB-CG2 4.45Å
97	Y	96.7	Very high	95.7	Very high	28 Å²	28	44.8 Å²	44.8	11%	0.11	25%	0.248	C	C	.	.			trans	-85.2	135.5	168.7	-68.2	-100.7	0	0	0	109.5	L89 P91 E181 L182 V202	L89-Y97 WeakPolarHBondContact O-CE1 3.28Å; P91-Y97 HydrophobicContact CB-CD2 4.21Å; P91-Y97 HydrophobicContact CB-CE2 3.95Å; P91-Y97 HydrophobicContact CG-CE2 4.34Å; Y97-E181 WeakPolarHBondContact O-CG 3.48Å; Y97-L182 PolarHBondContact O-N 3.27Å; Y97-V202 HydrophobicContact CE1-CG1 4.21Å; Y97-V202 HydrophobicContact CE1-CG2 4.06Å
98	I	97.3	Very high	95.7	Very high	24 Å²	24	49.3 Å²	49.3	12%	0.123	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	160.2	-174.3	64.1	167.7	0	0	0	112.2	R88 M96 G180	R88-I98 HydrophobicContact CB-CG1 4.41Å; R88-I98 HydrophobicContact CG-CG1 4.48Å; R88-I98 PolarHBondContact N-O 2.8Å; M96-I98 HydrophobicContact CB-CG2 4.45Å; I98-G180 WeakPolarHBondContact CA-O 3.5Å
99	F	98.2	Very high	95.9	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.013	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	152	160.4	69.1	-88.1	0	0	0	110.1	L85 W86 P87 L123 F178 R179 G180 L182 F189 A216	L85-F99 HydrophobicContact CD2-CD2 4.22Å; L85-F99 HydrophobicContact CD2-CE2 4.39Å; W86-F99 VanDerWaalsContact O-CA 3.26Å; W86-F99 WeakPolarHBondContact O-CA 3.37Å; P87-F99 HydrophobicContact CB-CB 4.39Å; F99-L123 HydrophobicContact CE2-CD2 4.21Å; F99-L123 HydrophobicContact CZ-CD2 3.88Å; F99-F178 HydrophobicContact CE2-CD2 4.24Å; F99-F178 HydrophobicContact CE2-CE2 4.14Å; F99-R179 WeakPolarHBondContact O-CA 3.28Å; F99-G180 PolarHBondContact N-O 2.92Å; F99-G180 PolarHBondContact O-N 3.35Å; F99-L182 HydrophobicContact CD1-CB 4.4Å; F99-L182 HydrophobicContact CD1-CD1 4.3Å; F99-F189 HydrophobicContact CB-CD1 3.94Å; F99-F189 HydrophobicContact CB-CE1 3.99Å; F99-F189 HydrophobicContact CD1-CB 4.33Å; F99-F189 AromaticContact CD1-CD1 3.76Å; F99-F189 HydrophobicContact CD1-CD1 3.76Å; F99-F189 HydrophobicContact CD1-CG 4.31Å; F99-F189 AromaticContact CD2-CD1 3.94Å; F99-F189 HydrophobicContact CD2-CD1 3.94Å; F99-F189 HydrophobicContact CE1-CB 4.05Å; F99-F189 HydrophobicContact CE1-CD1 4.22Å; F99-F189 HydrophobicContact CE2-CD1 4.38Å; F99-F189 AromaticContact CG-CD1 3.6Å; F99-F189 HydrophobicContact CG-CD1 3.6Å; F99-F189 HydrophobicContact CG-CE1 4.15Å; F99-F189 HydrophobicContact CZ-CB 4.36Å; F99-A216 VanDerWaalsContact CE2-O 3.32Å; F99-A216 WeakPolarHBondContact CE2-O 3.37Å
100	T	98.2	Very high	96	Very high	44 Å²	44	51.2 Å²	51.2	27%	0.27	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	150.9	166.2	49.3	0	0	0	0	108.5	W86 R88 F178 R179	W86-T100 PolarHBondContact N-O 3.01Å; W86-T100 PolarHBondContact O-N 3.08Å; W86-T100 VanDerWaalsContact O-N 3.13Å; R88-T100 VanDerWaalsContact CZ-OG1 3.24Å; R88-T100 VanDerWaalsContact NH1-N 3.13Å; R88-T100 PolarHBondContact NH1-OG1 3.28Å; R88-T100 PolarHBondContact NH2-OG1 2.79Å; T100-F178 CarbonylContact C-O 3.58Å; T100-F178 WeakPolarHBondContact CA-O 3.4Å; T100-R179 HydrophobicContact CG2-CB 4.12Å; T100-R179 HydrophobicContact CG2-CG 4.13Å
101	G	98	Very high	96.2	Very high	9 Å²	9	50.4 Å²	50.4	9%	0.093	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	166.5	177.5	0	0	0	0	0	112.6	T84 E177 F178	T84-G101 CarbonylContact O-C 3.59Å; T84-G101 WeakPolarHBondContact O-CA 3.1Å; G101-E177 WeakPolarHBondContact O-CA 3.46Å; G101-F178 PolarHBondContact N-O 2.99Å; G101-F178 PolarHBondContact O-N 3.49Å
102	H	98.4	Very high	96.3	Very high	66 Å²	66	53.9 Å²	53.9	31%	0.306	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	146.9	163.5	57.4	-99	0	0	0	109.2	T84 Y175 T176 E177	T84-H102 WeakPolarHBondContact CB-CE1 3.26Å; T84-H102 VanDerWaalsContact CB-NE2 3.27Å; T84-H102 WeakPolarHBondContact CB-NE2 3.21Å; T84-H102 PolarHBondContact N-O 3.49Å; T84-H102 PolarHBondContact O-N 2.74Å; T84-H102 PolarHBondContact OG1-CE1 3.27Å; T84-H102 PolarHBondContact OG1-NE2 2.98Å; H102-Y175 HydrophobicContact CB-CE2 3.97Å; H102-T176 CarbonylContact C-O 3.58Å; H102-T176 WeakPolarHBondContact CA-O 3.37Å; H102-T176 WeakPolarHBondContact CB-O 3.44Å; H102-E177 HydrophobicContact CB-CG 3.79Å
103	S	98.3	Very high	96.7	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.014	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	136.8	175.4	-174.9	0	0	0	0	111.3	N82 Y175 T176	N82-S103 WeakPolarHBondContact O-CA 3.38Å; N82-S103 PolarHBondContact O-OG 2.95Å; N82-S103 VanDerWaalsContact O-OG 3.12Å; S103-Y175 WeakPolarHBondContact O-CA 3.38Å; S103-T176 PolarHBondContact N-O 3.05Å; S103-T176 PolarHBondContact O-N 3.29Å; S103-T176 PolarHBondContact O-OG1 3.41Å
104	S	98.3	Very high	97	Very high	13 Å²	13	50.8 Å²	50.8	9%	0.091	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.2	163.6	-76.1	0	0	0	0	108.9	Y81 N82 E173 L174 Y175	Y81-S104 CarbonylContact C-O 3.46Å; Y81-S104 WeakPolarHBondContact CA-O 3.49Å; N82-S104 PolarHBondContact N-O 3.34Å; N82-S104 PolarHBondContact O-N 3.45Å; S104-E173 WeakPolarHBondContact CB-OE1 3.41Å; S104-E173 PolarHBondContact OG-OE1 3.25Å; S104-L174 WeakPolarHBondContact CA-O 3.28Å; S104-Y175 WeakPolarHBondContact OG-CD2 3.28Å
105	V	98.8	Very high	97.4	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.024	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.1	166.2	58.2	0	0	0	0	110	P78 T80 Y81 F107 I118 E173 L174 F220	P78-V105 HydrophobicContact CB-CG2 4.14Å; T80-V105 WeakPolarHBondContact O-CA 3.42Å; Y81-V105 HydrophobicContact CD1-CB 3.58Å; Y81-V105 HydrophobicContact CD1-CG2 3.72Å; Y81-V105 HydrophobicContact CD2-CG2 4.33Å; Y81-V105 HydrophobicContact CE1-CB 3.47Å; Y81-V105 VanDerWaalsContact CE1-CB 3.47Å; Y81-V105 HydrophobicContact CE1-CG1 4.36Å; Y81-V105 HydrophobicContact CE1-CG2 3.33Å; Y81-V105 HydrophobicContact CE2-CG2 3.99Å; Y81-V105 HydrophobicContact CG-CB 4.37Å; Y81-V105 HydrophobicContact CG-CG2 4.21Å; Y81-V105 VanDerWaalsContact CZ-CG2 3.49Å; V105-F107 HydrophobicContact CG1-CD1 4.37Å; V105-I118 HydrophobicContact CG1-CD1 4.04Å; V105-E173 VanDerWaalsContact O-CA 3.29Å; V105-E173 WeakPolarHBondContact O-CA 3.48Å; V105-L174 HydrophobicContact CG1-CB 3.85Å; V105-L174 PolarHBondContact N-O 3.1Å; V105-L174 PolarHBondContact O-N 2.93Å; V105-F220 HydrophobicContact CG1-CE2 4.35Å; V105-F220 HydrophobicContact CG2-CD2 4.22Å; V105-F220 HydrophobicContact CG2-CE2 4.11Å
106	V	98.8	Very high	97.8	Very high	22 Å²	22	40.3 Å²	40.3	13%	0.133	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	126.1	166.6	-178.3	0	0	0	0	108.2	L79 T80 Q138 Y172 E173	L79-V106 WeakPolarHBondContact CB-O 3.46Å; L79-V106 HydrophobicContact CD1-CG1 4.35Å; L79-V106 PolarHBondContact N-O 3.36Å; T80-V106 PolarHBondContact N-O 3.16Å; T80-V106 PolarHBondContact O-N 3.03Å; V106-Q138 HydrophobicContact CG1-CG 4.12Å; V106-Y172 CarbonylContact C-O 3.35Å; V106-Y172 VanDerWaalsContact CA-O 3.3Å; V106-Y172 WeakPolarHBondContact CA-O 3.37Å; V106-E173 HydrophobicContact CG2-CB 4.25Å; V106-E173 HydrophobicContact CG2-CG 4.37Å
107	F	98.6	Very high	98.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	155.1	179.5	63.1	-86.6	0	0	0	111.4	L76 V77 V105 I116 L135 L166 S171 Y172 L174 F220	L76-F107 HydrophobicContact CB-CD2 4.13Å; L76-F107 HydrophobicContact CD1-CD2 4.18Å; L76-F107 HydrophobicContact CD1-CE2 3.95Å; L76-F107 HydrophobicContact CD2-CD2 3.93Å; L76-F107 HydrophobicContact CD2-CE2 3.85Å; L76-F107 HydrophobicContact CG-CD2 4.3Å; L76-F107 HydrophobicContact CG-CE2 4.37Å; V77-F107 CarbonylContact O-C 3.4Å; V77-F107 VanDerWaalsContact O-CA 3.27Å; V77-F107 WeakPolarHBondContact O-CA 3.22Å; V77-F107 WeakPolarHBondContact O-CB 3.27Å; V105-F107 HydrophobicContact CG1-CD1 4.37Å; F107-I116 HydrophobicContact CE2-CD1 4.46Å; F107-I116 HydrophobicContact CZ-CD1 3.72Å; F107-I116 HydrophobicContact CZ-CG1 4.21Å; F107-L135 HydrophobicContact CE1-CD1 4.21Å; F107-L135 HydrophobicContact CZ-CD1 3.97Å; F107-L166 HydrophobicContact CE2-CD1 3.89Å; F107-L166 HydrophobicContact CZ-CD1 4.41Å; F107-S171 CarbonylContact O-C 3.58Å; F107-S171 WeakPolarHBondContact O-CA 3.34Å; F107-Y172 HydrophobicContact CE2-CD2 4.24Å; F107-Y172 HydrophobicContact CE2-CG 4.49Å; F107-Y172 HydrophobicContact CZ-CG 4.46Å; F107-Y172 PolarHBondContact N-O 2.86Å; F107-Y172 PolarHBondContact O-N 2.82Å; F107-L174 HydrophobicContact CE1-CB 3.92Å; F107-F220 HydrophobicContact CB-CE2 4.15Å; F107-F220 HydrophobicContact CB-CZ 4.43Å; F107-F220 HydrophobicContact CD1-CE2 4.47Å; F107-F220 HydrophobicContact CG-CE2 4.37Å; F107-F220 HydrophobicContact CG-CZ 4.37Å
108	R	98.3	Very high	98.2	Very high	99 Å²	99	35.6 Å²	35.6	37%	0.374	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.8	178.3	-174.1	174.6	-65.2	146.6	0.8	110.8	V77 L79 K110	V77-R108 PolarHBondContact N-O 2.86Å; V77-R108 PolarHBondContact O-N 2.97Å; L79-R108 HydrophobicContact CD1-CB 4.19Å; L79-R108 HydrophobicContact CD2-CB 4.47Å; L79-R108 HydrophobicContact CG-CB 4.42Å; R108-K110 PolarHBondContact O-N 3.01Å
109	C	98.2	Very high	98.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	117.3	172.5	-175.7	0	0	0	0	110.2	L76 K111 L166 A167 G169 K170 Y172	L76-C109 HydrophobicContact CD2-CB 4.29Å; C109-K111 PolarHBondContact SG-O 2.97Å; C109-L166 HydrophobicContact CB-CB 4.09Å; C109-A167 VanDerWaalsContact CB-O 3.3Å; C109-A167 WeakPolarHBondContact CB-O 3.25Å; C109-G169 PolarHBondContact O-N 2.71Å; C109-K170 PolarHBondContact N-O 2.78Å; C109-Y172 HydrophobicContact CB-CE2 4.14Å
110	K	97.9	Very high	98.2	Very high	114 Å²	114	34.8 Å²	34.8	50%	0.496	17%	0.169	S	C	.	.	S	Bend	trans	-95.6	-33.6	176.7	-73.4	-68.4	-168.9	167	0	112.8	S75 V77 R108	S75-K110 PolarHBondContact O-N 2.65Å; V77-K110 HydrophobicContact CB-CG 4.45Å; V77-K110 HydrophobicContact CG2-CG 3.63Å; R108-K110 PolarHBondContact O-N 3.01Å
111	K	98	Very high	98.2	Very high	108 Å²	108	33.9 Å²	33.9	47%	0.47	16%	0.163	S	C	.	.	S	Bend	trans	-132.6	137.8	175.5	-58.9	179.5	-175.7	170.7	0	108.3	D74 S75 C109 T113	D74-K111 WeakPolarHBondContact OD1-CE 3.29Å; D74-K111 IonicContact OD1-NZ 3.11Å; D74-K111 PolarHBondContact OD1-NZ 2.98Å; D74-K111 WeakPolarHBondContact OD2-CE 3.13Å; D74-K111 IonicContact OD2-NZ 3.13Å; D74-K111 PolarHBondContact OD2-NZ 3Å; S75-K111 PolarHBondContact O-N 3.24Å; C109-K111 PolarHBondContact SG-O 2.97Å; K111-T113 PolarHBondContact O-N 3.35Å
112	E	97.1	Very high	98.1	Very high	124 Å²	124	40 Å²	40	58%	0.579	19%	0.187	S	C	*	.			trans	-54.9	127.3	178.9	-64.5	-169.8	159.5	0	0	110.7	K165 V168	E112-K165 HydrophobicContact CB-CB 4.45Å; E112-K165 HydrophobicContact CB-CD 3.87Å; E112-K165 IonicContact OE2-NZ 3.66Å; E112-V168 HydrophobicContact CG-CG2 3.72Å
113	T	97.9	Very high	98.1	Very high	20 Å²	20	37.1 Å²	37.1	12%	0.123	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	142.7	179.8	-178.5	0	0	0	0	109.7	L76 K111 L115 K165 L166	L76-T113 HydrophobicContact CD2-CG2 3.76Å; L76-T113 HydrophobicContact CG-CG2 4.21Å; K111-T113 PolarHBondContact O-N 3.35Å; T113-L115 WeakPolarHBondContact CG2-O 3.47Å; T113-L115 PolarHBondContact OG1-N 3.06Å; T113-L115 PolarHBondContact OG1-O 2.88Å; T113-K165 CarbonylContact O-C 3.51Å; T113-K165 WeakPolarHBondContact O-CA 3.34Å; T113-L166 HydrophobicContact CG2-CD1 4.22Å; T113-L166 PolarHBondContact O-N 3.28Å
114	D	97.6	Very high	98	Very high	70 Å²	70	42.8 Å²	42.8	37%	0.374	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	12.1	168.4	60.5	-12.7	0	0	0	111.9	L162 K165	D114-L162 HydrophobicContact CB-CB 4.37Å; D114-L162 VanDerWaalsContact O-CB 3.3Å; D114-L162 WeakPolarHBondContact O-CB 3.29Å; D114-L162 WeakPolarHBondContact O-CG 3.46Å; D114-L162 PolarHBondContact O-N 3.46Å; D114-K165 HydrophobicContact CB-CG 4.14Å
115	L	97.9	Very high	98	Very high	20 Å²	20	43.4 Å²	43.4	11%	0.105	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.1	-177	-170	68.9	0	0	0	110.4	P66 W67 T113 L117 V159	P66-L115 HydrophobicContact CB-CD2 3.79Å; P66-L115 HydrophobicContact CG-CD2 4.03Å; W67-L115 HydrophobicContact CE3-CD1 4.15Å; W67-L115 HydrophobicContact CE3-CD2 4.01Å; W67-L115 HydrophobicContact CZ3-CD1 3.97Å; W67-L115 HydrophobicContact CZ3-CD2 4.14Å; T113-L115 WeakPolarHBondContact CG2-O 3.47Å; T113-L115 PolarHBondContact OG1-N 3.06Å; T113-L115 PolarHBondContact OG1-O 2.88Å; L115-L117 HydrophobicContact CD1-CD2 4.3Å; L115-L117 HydrophobicContact CD2-CD1 4.16Å; L115-L117 HydrophobicContact CD2-CD2 4Å; L115-L117 HydrophobicContact CD2-CG 3.95Å; L115-L117 HydrophobicContact CG-CD2 4.03Å; L115-L117 HydrophobicContact CG-CG 4.1Å; L115-V159 HydrophobicContact CD1-CG1 3.54Å
116	I	98.6	Very high	98	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	117	166.8	-53.4	162.3	0	0	0	107.2	L76 F107 L135 V160 L162 L166 L174 F220	L76-I116 HydrophobicContact CD1-CB 3.97Å; L76-I116 HydrophobicContact CD1-CG1 3.81Å; L76-I116 HydrophobicContact CD1-CG2 3.79Å; F107-I116 HydrophobicContact CE2-CD1 4.46Å; F107-I116 HydrophobicContact CZ-CD1 3.72Å; F107-I116 HydrophobicContact CZ-CG1 4.21Å; I116-L135 HydrophobicContact CD1-CD1 3.92Å; I116-L135 HydrophobicContact CD1-CD2 4.19Å; I116-V160 HydrophobicContact CB-CB 4.13Å; I116-V160 HydrophobicContact CD1-CG1 4.39Å; I116-V160 PolarHBondContact N-O 3.29Å; I116-V160 PolarHBondContact O-N 3.48Å; I116-L162 HydrophobicContact CD1-CD1 4.15Å; I116-L162 HydrophobicContact CD1-CD2 4.28Å; I116-L162 HydrophobicContact CG1-CD1 4.3Å; I116-L166 HydrophobicContact CD1-CD1 4.39Å; I116-L166 HydrophobicContact CG1-CD1 4.05Å; I116-L174 HydrophobicContact CD1-CD1 4.49Å; I116-L174 HydrophobicContact CG2-CD2 4.4Å; I116-F220 HydrophobicContact CG2-CZ 4.48Å
117	L	98.6	Very high	97.9	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.026	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	127.8	168.4	-61.8	-175.1	0	0	0	108.3	P66 W67 L72 P73 L115 Y157 V159 F220	P66-L117 HydrophobicContact CB-CD1 4.24Å; W67-L117 HydrophobicContact CB-CD1 4.32Å; W67-L117 HydrophobicContact CB-CD2 3.96Å; L72-L117 HydrophobicContact CD2-CB 3.85Å; L72-L117 VanDerWaalsContact CD2-O 3.32Å; L72-L117 WeakPolarHBondContact CD2-O 3.41Å; P73-L117 HydrophobicContact CG-CD1 3.92Å; L115-L117 HydrophobicContact CD1-CD2 4.3Å; L115-L117 HydrophobicContact CD2-CD1 4.16Å; L115-L117 HydrophobicContact CD2-CD2 4Å; L115-L117 HydrophobicContact CD2-CG 3.95Å; L115-L117 HydrophobicContact CG-CD2 4.03Å; L115-L117 HydrophobicContact CG-CG 4.1Å; L117-Y157 HydrophobicContact CD1-CE2 4.47Å; L117-V159 HydrophobicContact CD2-CB 4.11Å; L117-V159 HydrophobicContact CD2-CG1 3.79Å; L117-V159 HydrophobicContact CD2-CG2 3.73Å; L117-F220 WeakPolarHBondContact O-CE1 3.37Å
118	I	98.6	Very high	97.7	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	141.9	178	-165.4	172.2	0	0	0	108.8	V105 Y157 L158 L174 P218 C219 F220	V105-I118 HydrophobicContact CG1-CD1 4.04Å; I118-Y157 CarbonylContact O-C 3.41Å; I118-Y157 WeakPolarHBondContact O-CA 3.49Å; I118-L158 HydrophobicContact CG2-CB 3.85Å; I118-L158 HydrophobicContact CG2-CD2 4.13Å; I118-L158 HydrophobicContact CG2-CG 4.15Å; I118-L158 PolarHBondContact N-O 3.44Å; I118-L158 PolarHBondContact O-N 3.25Å; I118-L174 HydrophobicContact CD1-CD2 4.2Å; I118-L174 HydrophobicContact CG2-CD2 4.3Å; I118-P218 HydrophobicContact CD1-CB 4.28Å; I118-C219 WeakPolarHBondContact CG1-O 3.36Å; I118-F220 HydrophobicContact CD1-CD2 4.25Å; I118-F220 HydrophobicContact CD1-CE2 4.16Å; I118-F220 HydrophobicContact CG1-CD2 4.38Å; I118-F220 HydrophobicContact CG1-CE2 4.49Å
119	H	98.8	Very high	97.3	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.009	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	136.9	-178.9	-66.9	115.4	0	0	0	110.9	L72 Q156 Y157 R214 P218 C219 D221	L72-H119 WeakPolarHBondContact CD1-ND1 3.34Å; H119-Q156 CarbonylContact C-O 3.48Å; H119-Q156 VanDerWaalsContact CA-O 3.24Å; H119-Q156 WeakPolarHBondContact CA-O 3.42Å; H119-Y157 AromaticContact CD2-CD1 3.55Å; H119-Y157 AromaticContact CD2-CE1 3.18Å; H119-Y157 WeakPolarHBondContact CD2-CE1 3.39Å; H119-Y157 AromaticContact CE1-CE1 3.84Å; H119-Y157 AromaticContact CG-CE1 3.87Å; H119-Y157 AromaticContact NE2-CE1 3.21Å; H119-Y157 WeakPolarHBondContact NE2-CE1 3.19Å; H119-Y157 AromaticContact NE2-CZ 3.82Å; H119-R214 HydrophobicContact CB-CB 3.55Å; H119-R214 HydrophobicContact CB-CG 4.37Å; H119-R214 PolarHBondContact CD2-NH1 2.84Å; H119-R214 PolarHBondContact CE1-NH2 3.46Å; H119-R214 VanDerWaalsContact CE1-NH2 3.27Å; H119-R214 VanDerWaalsContact CG-CZ 3.46Å; H119-R214 PolarHBondContact ND1-NH2 3.41Å; H119-R214 PolarHBondContact NE2-NH1 3.22Å; H119-R214 PolarHBondContact NE2-NH2 2.98Å; H119-P218 CarbonylContact O-C 3.6Å; H119-P218 VanDerWaalsContact O-CA 3.24Å; H119-P218 WeakPolarHBondContact O-CA 3.31Å; H119-C219 VanDerWaalsContact CB-O 3.32Å; H119-C219 WeakPolarHBondContact CB-O 3.5Å; H119-C219 PolarHBondContact N-O 2.85Å; H119-C219 PolarHBondContact O-N 2.77Å; H119-D221 HydrophobicContact CB-CB 3.84Å; H119-D221 WeakPolarHBondContact ND1-CB 3.41Å; H119-D221 PolarHBondContact ND1-N 3.35Å
120	A	98.3	Very high	97.1	Very high	7 Å²	7	53.3 Å²	53.3	6%	0.058	30%	0.295	C	S	.	.			trans	-153.5	130.5	172.7	0	0	0	0	0	109.8	F125 L151 Q156 L158 R214 P218	A120-F125 HydrophobicContact CB-CE2 4.22Å; A120-F125 HydrophobicContact CB-CZ 3.86Å; A120-L151 HydrophobicContact CB-CD2 4.41Å; A120-Q156 PolarHBondContact N-O 3.28Å; A120-Q156 CarbonylContact O-C 3.54Å; A120-L158 HydrophobicContact CB-CB 3.98Å; A120-R214 WeakPolarHBondContact CA-O 3.4Å; A120-P218 HydrophobicContact CB-CB 4.39Å
121	N	97.1	Very high	97.1	Very high	26 Å²	26	49.1 Å²	49.1	14%	0.139	28%	0.278	C	S	.	.			trans	-137.3	129.3	-177.7	-173.6	27.5	0	0	0	111.4	L123 Q156 R214 K215	N121-L123 PolarHBondContact O-N 3.49Å; N121-Q156 HydrophobicContact CB-CB 4.39Å; N121-Q156 HydrophobicContact CB-CG 4.47Å; N121-R214 HydrophobicContact CB-CG 3.99Å; N121-R214 PolarHBondContact N-O 3.05Å; N121-K215 WeakPolarHBondContact O-CA 3.37Å
122	K	96	Very high	97.1	Very high	138 Å²	138	45.6 Å²	45.6	60%	0.6	26%	0.263	S	S	*	.	S	Bend	trans	52.5	35.1	178.6	-59.3	178.3	178.7	176.6	0	114.2	D185	K122-D185 IonicContact NZ-OD2 3.44Å
123	L	97.9	Very high	97.1	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	24%	0.236	C	C	.	.			trans	-110.8	130.9	175.2	-67.1	177.2	0	0	0	110.1	F99 N121 F125 F178 K215 P218	F99-L123 HydrophobicContact CE2-CD2 4.21Å; F99-L123 HydrophobicContact CZ-CD2 3.88Å; N121-L123 PolarHBondContact O-N 3.49Å; L123-F125 HydrophobicContact CB-CD2 4.45Å; L123-F125 HydrophobicContact CB-CE2 3.84Å; L123-F125 HydrophobicContact CB-CZ 4.25Å; L123-F125 WeakPolarHBondContact O-CD2 3.36Å; L123-F178 HydrophobicContact CB-CB 4.38Å; L123-F178 HydrophobicContact CD1-CD2 4.37Å; L123-F178 HydrophobicContact CD1-CG 4.4Å; L123-F178 HydrophobicContact CD2-CD2 4.01Å; L123-K215 WeakPolarHBondContact CD2-O 3.41Å; L123-P218 HydrophobicContact CD1-CG 4.19Å
124	N	97.6	Very high	97.1	Very high	121 Å²	121	43.6 Å²	43.6	65%	0.647	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	122	172.1	-69.7	-13.7	0	0	0	109	F178 R179	N124-F178 CarbonylContact O-C 3.59Å; N124-F178 WeakPolarHBondContact O-CA 3.44Å; N124-R179 PolarHBondContact N-O 3.07Å; N124-R179 PolarHBondContact O-N 3.17Å
125	F	98.2	Very high	97.1	Very high	27 Å²	27	41.5 Å²	41.5	12%	0.118	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	145.6	-173.1	-69.6	-101.1	0	0	0	112.9	A120 L123 H132 L151 L158 T176 E177 F178 P218	A120-F125 HydrophobicContact CB-CE2 4.22Å; A120-F125 HydrophobicContact CB-CZ 3.86Å; L123-F125 HydrophobicContact CB-CD2 4.45Å; L123-F125 HydrophobicContact CB-CE2 3.84Å; L123-F125 HydrophobicContact CB-CZ 4.25Å; L123-F125 WeakPolarHBondContact O-CD2 3.36Å; F125-H132 HydrophobicContact CB-CB 4.06Å; F125-H132 HydrophobicContact CD1-CB 4.29Å; F125-H132 AromaticContact CD2-CD2 3.88Å; F125-H132 HydrophobicContact CG-CB 4.13Å; F125-H132 AromaticContact CG-CD2 3.94Å; F125-L151 HydrophobicContact CE2-CD2 3.95Å; F125-L158 HydrophobicContact CE1-CD2 3.88Å; F125-L158 HydrophobicContact CZ-CD2 3.98Å; F125-T176 HydrophobicContact CD1-CG2 4.33Å; F125-T176 HydrophobicContact CE1-CG2 3.97Å; F125-E177 WeakPolarHBondContact CA-O 3.49Å; F125-F178 HydrophobicContact CD1-CB 4.32Å; F125-P218 HydrophobicContact CE1-CB 4.45Å; F125-P218 HydrophobicContact CE1-CG 3.44Å; F125-P218 VanDerWaalsContact CE1-CG 3.44Å; F125-P218 HydrophobicContact CZ-CB 4.4Å; F125-P218 HydrophobicContact CZ-CG 3.58Å
126	T	97.2	Very high	97.1	Very high	61 Å²	61	42.9 Å²	42.9	37%	0.374	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-71.9	130.7	162.6	-55.7	0	0	0	0	109	Y128 E177	T126-Y128 HydrophobicContact CG2-CE1 4.18Å; T126-E177 PolarHBondContact N-O 2.92Å
127	M	97.1	Very high	97	Very high	92 Å²	92	44.1 Å²	44.1	45%	0.453	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-90.7	135.6	-177.5	-61	-63.2	-78.5	0	0	112	G130 N131 H132	M127-G130 VanDerWaalsContact CE-C 3.42Å; M127-G130 WeakPolarHBondContact CE-O 3.39Å; M127-N131 CarbonylContact C-O 3.51Å; M127-N131 WeakPolarHBondContact CA-O 3.25Å; M127-H132 HydrophobicContact SD-CB 4.39Å
128	Y	94.3	Very high	96.8	Very high	40 Å²	40	47.3 Å²	47.3	16%	0.157	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-120	106.7	176.9	-55.9	-70	0	0	0	110.5	T126 G130 N131 K134 Y175 E177	T126-Y128 HydrophobicContact CG2-CE1 4.18Å; Y128-G130 PolarHBondContact O-N 3.02Å; Y128-G130 VanDerWaalsContact O-N 3.17Å; Y128-N131 PolarHBondContact N-O 3.3Å; Y128-N131 PolarHBondContact O-N 3.48Å; Y128-K134 HydrophobicContact CD1-CD 4.34Å; Y128-K134 HydrophobicContact CD1-CG 4.43Å; Y128-K134 HydrophobicContact CD2-CD 4.43Å; Y128-K134 HydrophobicContact CD2-CG 3.82Å; Y128-K134 HydrophobicContact CE2-CG 4.34Å; Y128-K134 HydrophobicContact CG-CD 4.24Å; Y128-K134 VanDerWaalsContact CG-CE 3.41Å; Y128-K134 HydrophobicContact CG-CG 3.84Å; Y128-Y175 HydrophobicContact CE2-CD1 4.46Å; Y128-Y175 WeakPolarHBondContact OH-CE1 3.28Å; Y128-E177 VanDerWaalsContact OH-CB 3.28Å; Y128-E177 WeakPolarHBondContact OH-CB 3.44Å; Y128-E177 WeakPolarHBondContact OH-CG 3.48Å; Y128-E177 PolarHBondContact OH-OE1 3.44Å; Y128-E177 PolarHBondContact OH-OE2 2.94Å
129	G	90.3	Very high	96.3	Very high	85 Å²	85	51 Å²	51	88%	0.876	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	34.7	-177.7	0	0	0	0	0	113
130	G	94.3	Very high	95.7	Very high	54 Å²	54	59.6 Å²	59.6	56%	0.557	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	2	-177.5	0	0	0	0	0	115.8	M127 Y128	M127-G130 VanDerWaalsContact CE-C 3.42Å; M127-G130 WeakPolarHBondContact CE-O 3.39Å; Y128-G130 PolarHBondContact O-N 3.02Å; Y128-G130 VanDerWaalsContact O-N 3.17Å
131	N	97	Very high	95.3	Very high	26 Å²	26	59.9 Å²	59.9	14%	0.139	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-113.9	151.1	-179.9	-63.5	-61.4	0	0	0	112.3	M127 Y128 A133 I146 S148 T149	M127-N131 CarbonylContact C-O 3.51Å; M127-N131 WeakPolarHBondContact CA-O 3.25Å; Y128-N131 PolarHBondContact N-O 3.3Å; Y128-N131 PolarHBondContact O-N 3.48Å; N131-A133 PolarHBondContact O-N 3.42Å; N131-I146 HydrophobicContact CB-CG2 4.11Å; N131-I146 WeakPolarHBondContact OD1-CG2 3.36Å; N131-S148 WeakPolarHBondContact OD1-CA 3.26Å; N131-T149 HydrophobicContact CB-CG2 3.94Å
132	H	98	Very high	95	Very high	34 Å²	34	62.8 Å²	62.8	16%	0.157	39%	0.387	C	S	.	.	S	Bend	trans	-78.4	-6.7	-178.5	-64.9	61.7	0	0	0	113.3	F125 M127 T149 L158	F125-H132 HydrophobicContact CB-CB 4.06Å; F125-H132 HydrophobicContact CD1-CB 4.29Å; F125-H132 AromaticContact CD2-CD2 3.88Å; F125-H132 HydrophobicContact CG-CB 4.13Å; F125-H132 AromaticContact CG-CD2 3.94Å; M127-H132 HydrophobicContact SD-CB 4.39Å; H132-T149 WeakPolarHBondContact CB-OG1 3.41Å; H132-T149 PolarHBondContact N-OG1 2.99Å; H132-T149 PolarHBondContact ND1-OG1 3.21Å; H132-L158 HydrophobicContact CB-CD1 3.83Å; H132-L158 HydrophobicContact CB-CD2 4.44Å
133	A	97.7	Very high	94.9	Very high	2 Å²	2	58 Å²	58	2%	0.017	37%	0.373	C	S	.	.			trans	-148.3	162.3	-174.7	0	0	0	0	0	111.9	N131 I146 L174 Y175 T176	N131-A133 PolarHBondContact O-N 3.42Å; A133-I146 VanDerWaalsContact O-CD1 3.28Å; A133-I146 WeakPolarHBondContact O-CD1 3.29Å; A133-L174 HydrophobicContact CB-CD1 3.62Å; A133-L174 HydrophobicContact CB-CG 4.11Å; A133-Y175 CarbonylContact C-O 3.54Å; A133-Y175 VanDerWaalsContact CA-O 3.3Å; A133-Y175 WeakPolarHBondContact CA-O 3.41Å; A133-T176 HydrophobicContact CB-CG2 3.81Å
134	K	97.7	Very high	94.8	Very high	100 Å²	100	58.4 Å²	58.4	44%	0.435	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.4	165.1	-63	174.6	-176.4	161.2	0	109.1	Y128 L174 Y175	Y128-K134 HydrophobicContact CD1-CD 4.34Å; Y128-K134 HydrophobicContact CD1-CG 4.43Å; Y128-K134 HydrophobicContact CD2-CD 4.43Å; Y128-K134 HydrophobicContact CD2-CG 3.82Å; Y128-K134 HydrophobicContact CE2-CG 4.34Å; Y128-K134 HydrophobicContact CG-CD 4.24Å; Y128-K134 VanDerWaalsContact CG-CE 3.41Å; Y128-K134 HydrophobicContact CG-CG 3.84Å; K134-L174 WeakPolarHBondContact O-CA 3.5Å; K134-Y175 HydrophobicContact CD-CD1 4.21Å; K134-Y175 PolarHBondContact N-O 3.1Å; K134-Y175 PolarHBondContact O-N 2.7Å
135	L	98.1	Very high	94.8	Very high	27 Å²	27	55.7 Å²	55.7	14%	0.141	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.6	175.1	-175.1	70.4	0	0	0	109.5	F107 I116 A143 I146 L162 L166 E173 L174	F107-L135 HydrophobicContact CE1-CD1 4.21Å; F107-L135 HydrophobicContact CZ-CD1 3.97Å; I116-L135 HydrophobicContact CD1-CD1 3.92Å; I116-L135 HydrophobicContact CD1-CD2 4.19Å; L135-A143 HydrophobicContact CD2-CB 4.24Å; L135-A143 HydrophobicContact CG-CB 4.03Å; L135-I146 HydrophobicContact CB-CD1 4Å; L135-I146 HydrophobicContact CB-CG1 4.12Å; L135-L162 HydrophobicContact CD2-CD1 4.1Å; L135-L162 HydrophobicContact CD2-CD2 3.67Å; L135-L166 HydrophobicContact CD2-CD2 4.3Å; L135-E173 WeakPolarHBondContact CA-O 3.05Å; L135-L174 HydrophobicContact CD1-CD1 4.25Å
136	S	97.4	Very high	94.8	Very high	49 Å²	49	55.8 Å²	55.8	34%	0.343	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	154.1	172.6	55.4	0	0	0	0	110.5	Y172 E173	S136-Y172 CarbonylContact O-C 3.56Å; S136-Y172 WeakPolarHBondContact O-CA 3.42Å; S136-E173 PolarHBondContact N-O 2.89Å; S136-E173 PolarHBondContact O-N 3.12Å; S136-E173 PolarHBondContact OG-O 3.39Å
137	G	95.9	Very high	94.8	Very high	25 Å²	25	61.5 Å²	61.5	26%	0.258	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	146.7	174.5	0	0	0	0	0	110.3	A141	G137-A141 VanDerWaalsContact CA-O 3.31Å; G137-A141 WeakPolarHBondContact CA-O 3.35Å
138	Q	94.4	Very high	94.8	Very high	73 Å²	73	59 Å²	59	34%	0.341	38%	0.378	S	S	.	.			trans	-97.4	134.2	176.6	-66.5	-66.4	-38.3	0	0	110.5	V106 E140 A141 S171 E173	V106-Q138 HydrophobicContact CG1-CG 4.12Å; Q138-E140 PolarHBondContact O-N 2.91Å; Q138-A141 WeakPolarHBondContact O-CB 3.1Å; Q138-A141 PolarHBondContact O-N 2.75Å; Q138-S171 WeakPolarHBondContact CB-O 3.32Å; Q138-S171 PolarHBondContact N-O 3.31Å; Q138-E173 HydrophobicContact CG-CB 4.41Å; Q138-E173 VanDerWaalsContact NE2-CB 3.28Å; Q138-E173 PolarHBondContact NE2-OE2 3.46Å
139	G	89.3	Confident	95	Very high	79 Å²	79	57.8 Å²	57.8	81%	0.814	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	-127	-175.8	0	0	0	0	0	112.2	A141	G139-A141 VanDerWaalsContact C-N 3.26Å; G139-A141 PolarHBondContact O-N 3.11Å
140	E	85.1	Confident	95.4	Very high	182 Å²	182	57.2 Å²	57.2	85%	0.85	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	2.7	179.1	-61.2	-179.3	169.2	0	0	114.1	Q138 A142	Q138-E140 PolarHBondContact O-N 2.91Å; E140-A142 PolarHBondContact O-N 3.43Å
141	A	90.1	Very high	95.6	Very high	13 Å²	13	58.1 Å²	58.1	11%	0.107	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-73	127	179.2	0	0	0	0	0	110.7	G137 Q138 G139 K170 Y172	G137-A141 VanDerWaalsContact CA-O 3.31Å; G137-A141 WeakPolarHBondContact CA-O 3.35Å; Q138-A141 WeakPolarHBondContact O-CB 3.1Å; Q138-A141 PolarHBondContact O-N 2.75Å; G139-A141 VanDerWaalsContact C-N 3.26Å; G139-A141 PolarHBondContact O-N 3.11Å; A141-K170 HydrophobicContact CB-CB 3.96Å; A141-K170 HydrophobicContact CB-CD 4.28Å; A141-K170 HydrophobicContact CB-CG 4.34Å; A141-Y172 HydrophobicContact CB-CE1 4.23Å
142	A	92.1	Very high	95.6	Very high	87 Å²	87	58 Å²	58	72%	0.719	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-85.5	124.4	166.3	0	0	0	0	0	109.5	E140	E140-A142 PolarHBondContact O-N 3.43Å
143	A	94.1	Very high	95.5	Very high	36 Å²	36	62.2 Å²	62.2	30%	0.298	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-77.4	129.6	174	0	0	0	0	0	111	L135 Y172	L135-A143 HydrophobicContact CD2-CB 4.24Å; L135-A143 HydrophobicContact CG-CB 4.03Å; A143-Y172 HydrophobicContact CB-CD1 4.3Å
144	P	95.9	Very high	95.3	Very high	14 Å²	14	66.9 Å²	66.9	9%	0.091	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-56.3	150.7	166	-26.2	36.9	0	0	0	111.8	L162 S164 L166	P144-L162 HydrophobicContact CB-CB 4.06Å; P144-L162 HydrophobicContact CB-CD1 4.32Å; P144-L162 HydrophobicContact CG-CD1 4.33Å; P144-S164 WeakPolarHBondContact CB-O 3.36Å; P144-S164 WeakPolarHBondContact CB-OG 3.39Å; P144-S164 WeakPolarHBondContact CG-O 3.4Å; P144-L166 HydrophobicContact CG-CD2 3.97Å
145	A	96.4	Very high	95.2	Very high	63 Å²	63	62.2 Å²	62.2	52%	0.521	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-68.3	144.7	170.9	0	0	0	0	0	110.3	R147 L162 S163	A145-R147 PolarHBondContact O-N 3.03Å; A145-L162 CarbonylContact O-C 3.5Å; A145-L162 WeakPolarHBondContact O-CA 3.48Å; A145-S163 PolarHBondContact N-OG 3.02Å; A145-S163 PolarHBondContact O-N 3.04Å; A145-S163 PolarHBondContact O-OG 3.49Å
146	I	98.1	Very high	95.2	Very high	30 Å²	30	62.3 Å²	62.3	15%	0.154	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	122.6	171.5	-61.1	173.9	0	0	0	108.1	N131 A133 L135 T149 V160 L162	N131-I146 HydrophobicContact CB-CG2 4.11Å; N131-I146 WeakPolarHBondContact OD1-CG2 3.36Å; A133-I146 VanDerWaalsContact O-CD1 3.28Å; A133-I146 WeakPolarHBondContact O-CD1 3.29Å; L135-I146 HydrophobicContact CB-CD1 4Å; L135-I146 HydrophobicContact CB-CG1 4.12Å; I146-T149 HydrophobicContact CG2-CG2 3.53Å; I146-V160 HydrophobicContact CD1-CG1 4Å; I146-V160 HydrophobicContact CG1-CG1 3.97Å; I146-V160 HydrophobicContact CG2-CG1 3.9Å; I146-L162 HydrophobicContact CG1-CD2 4.02Å
147	R	97.6	Very high	95.3	Very high	180 Å²	180	60 Å²	60	68%	0.679	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	-47.5	175.8	-179.2	-178.9	178.4	177.8	-1.1	111.2	A145 Q161	A145-R147 PolarHBondContact O-N 3.03Å; R147-Q161 WeakPolarHBondContact CB-O 3.4Å; R147-Q161 PolarHBondContact N-O 2.93Å
148	S	97.7	Very high	95.4	Very high	40 Å²	40	58.8 Å²	58.8	28%	0.28	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	156.2	-179.9	49.7	0	0	0	0	111.3	N131 Q161	N131-S148 WeakPolarHBondContact OD1-CA 3.26Å; S148-Q161 PolarHBondContact N-O 3.41Å; S148-Q161 PolarHBondContact O-N 2.96Å; S148-Q161 PolarHBondContact OG-OE1 3.2Å
149	T	98.4	Very high	95.6	Very high	14 Å²	14	55.3 Å²	55.3	9%	0.086	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	146.1	172.5	72.4	0	0	0	0	111.9	N131 H132 I146 V159 V160	N131-T149 HydrophobicContact CB-CG2 3.94Å; H132-T149 WeakPolarHBondContact CB-OG1 3.41Å; H132-T149 PolarHBondContact N-OG1 2.99Å; H132-T149 PolarHBondContact ND1-OG1 3.21Å; I146-T149 HydrophobicContact CG2-CG2 3.53Å; T149-V159 WeakPolarHBondContact CA-O 3.39Å; T149-V159 VanDerWaalsContact CB-O 3.3Å; T149-V159 WeakPolarHBondContact CB-O 3.4Å; T149-V160 HydrophobicContact CG2-CB 4.1Å; T149-V160 HydrophobicContact CG2-CG1 3.87Å; T149-V160 HydrophobicContact CG2-CG2 3.9Å
150	W	98.1	Very high	96	Very high	74 Å²	74	51.6 Å²	51.6	28%	0.28	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	164.7	176.5	66.3	97.3	0	0	0	111.5	W67 V159 Q161	W67-W150 AromaticContact CD2-CZ2 3.94Å; W67-W150 HydrophobicContact CD2-CZ2 3.94Å; W67-W150 AromaticContact CE2-CZ2 3.85Å; W67-W150 HydrophobicContact CE3-CH2 4.43Å; W67-W150 AromaticContact CE3-CZ2 3.88Å; W67-W150 HydrophobicContact CE3-CZ2 3.88Å; W67-W150 AromaticContact CH2-CH2 3.98Å; W67-W150 HydrophobicContact CH2-CH2 3.98Å; W67-W150 AromaticContact CH2-CZ2 3.7Å; W67-W150 HydrophobicContact CH2-CZ2 3.7Å; W67-W150 HydrophobicContact CZ2-CH2 4.43Å; W67-W150 AromaticContact CZ2-CZ2 3.73Å; W67-W150 HydrophobicContact CZ2-CZ2 3.73Å; W67-W150 AromaticContact CZ3-CH2 3.97Å; W67-W150 HydrophobicContact CZ3-CH2 3.97Å; W67-W150 AromaticContact CZ3-CZ2 3.77Å; W67-W150 HydrophobicContact CZ3-CZ2 3.77Å; W150-V159 HydrophobicContact CD2-CB 3.91Å; W150-V159 HydrophobicContact CD2-CG1 4.27Å; W150-V159 HydrophobicContact CE3-CB 4.25Å; W150-V159 HydrophobicContact CE3-CG1 4.3Å; W150-V159 HydrophobicContact CG-CB 4.46Å; W150-V159 HydrophobicContact CH2-CB 4.13Å; W150-V159 HydrophobicContact CH2-CG1 3.4Å; W150-V159 VanDerWaalsContact CH2-CG1 3.4Å; W150-V159 HydrophobicContact CZ2-CB 3.78Å; W150-V159 HydrophobicContact CZ2-CG1 3.36Å; W150-V159 HydrophobicContact CZ2-CG2 4.12Å; W150-V159 HydrophobicContact CZ3-CB 4.34Å; W150-V159 HydrophobicContact CZ3-CG1 3.88Å; W150-V159 PolarHBondContact N-O 3.02Å; W150-V159 VanDerWaalsContact N-O 3.12Å; W150-V159 PolarHBondContact O-N 2.9Å; W150-Q161 HydrophobicContact CH2-CB 4.3Å; W150-Q161 HydrophobicContact CZ3-CB 3.98Å
151	L	98.1	Very high	96.7	Very high	72 Å²	72	45.2 Å²	45.2	38%	0.377	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136.9	177	-63.2	174.3	0	0	0	110.9	A120 F125 Y157 L158	A120-L151 HydrophobicContact CB-CD2 4.41Å; F125-L151 HydrophobicContact CE2-CD2 3.95Å; L151-Y157 CarbonylContact C-O 3.58Å; L151-Y157 WeakPolarHBondContact CA-O 3.28Å; L151-L158 HydrophobicContact CD2-CB 3.9Å; L151-L158 HydrophobicContact CD2-CD1 4.05Å
152	V	97.9	Very high	97.1	Very high	24 Å²	24	44.7 Å²	44.7	15%	0.145	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	100	172	-176.2	0	0	0	0	108.2	W67 R154 T155 Q156 Y157 V159	W67-V152 HydrophobicContact CB-CG2 4.24Å; W67-V152 HydrophobicContact CG-CG2 4.15Å; V152-R154 VanDerWaalsContact C-N 3.34Å; V152-R154 PolarHBondContact O-N 3.36Å; V152-T155 WeakPolarHBondContact CG1-OG1 3.39Å; V152-Q156 VanDerWaalsContact O-CA 3.29Å; V152-Q156 WeakPolarHBondContact O-CA 3.49Å; V152-Q156 PolarHBondContact O-N 3.22Å; V152-Y157 PolarHBondContact N-O 2.84Å; V152-Y157 PolarHBondContact O-N 3.39Å; V152-V159 HydrophobicContact CG2-CG2 3.68Å
153	V	95.1	Very high	97.3	Very high	122 Å²	122	44.2 Å²	44.2	74%	0.739	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-37.8	-171.2	177.5	0	0	0	0	112.5	Q156	V153-Q156 PolarHBondContact O-N 2.99Å
154	R	93.4	Very high	97.5	Very high	101 Å²	101	45.4 Å²	45.4	38%	0.381	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-48.2	-173.8	-167.3	-173.5	89.1	-163.6	4.7	113	F61 D68 Y70 V152 Q156	F61-R154 VanDerWaalsContact CE1-CZ 3.42Å; D68-R154 PolarHBondContact O-NH2 3.17Å; Y70-R154 WeakPolarHBondContact CE1-O 3.29Å; V152-R154 VanDerWaalsContact C-N 3.34Å; V152-R154 PolarHBondContact O-N 3.36Å; R154-Q156 VanDerWaalsContact C-N 3.35Å
155	T	96.2	Very high	97.6	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-2	178.7	45.2	0	0	0	0	112.2	W67 Y70 V152 Y157	W67-T155 WeakPolarHBondContact O-CB 3.33Å; W67-T155 WeakPolarHBondContact O-CG2 3.4Å; W67-T155 PolarHBondContact O-OG1 3.25Å; Y70-T155 HydrophobicContact CD1-CG2 4.19Å; Y70-T155 HydrophobicContact CD2-CG2 4.37Å; Y70-T155 HydrophobicContact CE1-CG2 4.26Å; Y70-T155 HydrophobicContact CE2-CG2 4.43Å; Y70-T155 HydrophobicContact CG-CG2 4.24Å; V152-T155 WeakPolarHBondContact CG1-OG1 3.39Å; T155-Y157 HydrophobicContact CG2-CE2 4.47Å; T155-Y157 WeakPolarHBondContact OG1-CD2 3.32Å
156	Q	97.9	Very high	97.6	Very high	30 Å²	30	47.5 Å²	47.5	14%	0.14	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	44.9	177.2	-56	172	-22.7	0	0	112.7	H119 A120 N121 V152 V153 R154	H119-Q156 CarbonylContact C-O 3.48Å; H119-Q156 VanDerWaalsContact CA-O 3.24Å; H119-Q156 WeakPolarHBondContact CA-O 3.42Å; A120-Q156 PolarHBondContact N-O 3.28Å; A120-Q156 CarbonylContact O-C 3.54Å; N121-Q156 HydrophobicContact CB-CB 4.39Å; N121-Q156 HydrophobicContact CB-CG 4.47Å; V152-Q156 VanDerWaalsContact O-CA 3.29Å; V152-Q156 WeakPolarHBondContact O-CA 3.49Å; V152-Q156 PolarHBondContact O-N 3.22Å; V153-Q156 PolarHBondContact O-N 2.99Å; R154-Q156 VanDerWaalsContact C-N 3.35Å
157	Y	98.6	Very high	97.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	144.2	177.9	-68.4	-46.3	0	0	0	113.1	W67 Y69 Y70 R71 L72 L117 I118 H119 L151 V152 T155	W67-Y157 HydrophobicContact CB-CD2 4.19Å; Y69-Y157 VanDerWaalsContact O-CE2 3.27Å; Y69-Y157 WeakPolarHBondContact O-CE2 3.38Å; Y69-Y157 PolarHBondContact O-OH 3.47Å; Y70-Y157 PolarHBondContact O-OH 3.06Å; R71-Y157 VanDerWaalsContact C-OH 3.28Å; L72-Y157 HydrophobicContact CD2-CD1 4.1Å; L72-Y157 HydrophobicContact CD2-CE1 3.35Å; L72-Y157 HydrophobicContact CG-CE1 3.92Å; L72-Y157 PolarHBondContact N-OH 3.46Å; L117-Y157 HydrophobicContact CD1-CE2 4.47Å; I118-Y157 CarbonylContact O-C 3.41Å; I118-Y157 WeakPolarHBondContact O-CA 3.49Å; H119-Y157 AromaticContact CD2-CD1 3.55Å; H119-Y157 AromaticContact CD2-CE1 3.18Å; H119-Y157 WeakPolarHBondContact CD2-CE1 3.39Å; H119-Y157 AromaticContact CE1-CE1 3.84Å; H119-Y157 AromaticContact CG-CE1 3.87Å; H119-Y157 AromaticContact NE2-CE1 3.21Å; H119-Y157 WeakPolarHBondContact NE2-CE1 3.19Å; H119-Y157 AromaticContact NE2-CZ 3.82Å; L151-Y157 CarbonylContact C-O 3.58Å; L151-Y157 WeakPolarHBondContact CA-O 3.28Å; V152-Y157 PolarHBondContact N-O 2.84Å; V152-Y157 PolarHBondContact O-N 3.39Å; T155-Y157 HydrophobicContact CG2-CE2 4.47Å; T155-Y157 WeakPolarHBondContact OG1-CD2 3.32Å
158	L	98.6	Very high	97.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	121.1	146.4	168.3	62	0	0	0	108	I118 A120 F125 H132 L151 V160 T176	I118-L158 HydrophobicContact CG2-CB 3.85Å; I118-L158 HydrophobicContact CG2-CD2 4.13Å; I118-L158 HydrophobicContact CG2-CG 4.15Å; I118-L158 PolarHBondContact N-O 3.44Å; I118-L158 PolarHBondContact O-N 3.25Å; A120-L158 HydrophobicContact CB-CB 3.98Å; F125-L158 HydrophobicContact CE1-CD2 3.88Å; F125-L158 HydrophobicContact CZ-CD2 3.98Å; H132-L158 HydrophobicContact CB-CD1 3.83Å; H132-L158 HydrophobicContact CB-CD2 4.44Å; L151-L158 HydrophobicContact CD2-CB 3.9Å; L151-L158 HydrophobicContact CD2-CD1 4.05Å; L158-V160 HydrophobicContact CD1-CG2 4.45Å; L158-V160 HydrophobicContact CD2-CG2 4.38Å; L158-V160 HydrophobicContact CG-CG2 4.09Å; L158-T176 HydrophobicContact CD2-CG2 4.42Å
159	V	98.6	Very high	97.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128	175.5	-173.7	0	0	0	0	109	W67 L115 L117 T149 W150 V152	W67-V159 HydrophobicContact CB-CG2 3.83Å; W67-V159 HydrophobicContact CD2-CG1 4.49Å; W67-V159 HydrophobicContact CD2-CG2 4.36Å; W67-V159 HydrophobicContact CE3-CG1 3.85Å; W67-V159 HydrophobicContact CE3-CG2 4.45Å; W67-V159 HydrophobicContact CG-CG2 4.12Å; W67-V159 HydrophobicContact CZ3-CG1 4.29Å; L115-V159 HydrophobicContact CD1-CG1 3.54Å; L117-V159 HydrophobicContact CD2-CB 4.11Å; L117-V159 HydrophobicContact CD2-CG1 3.79Å; L117-V159 HydrophobicContact CD2-CG2 3.73Å; T149-V159 WeakPolarHBondContact CA-O 3.39Å; T149-V159 VanDerWaalsContact CB-O 3.3Å; T149-V159 WeakPolarHBondContact CB-O 3.4Å; W150-V159 HydrophobicContact CD2-CB 3.91Å; W150-V159 HydrophobicContact CD2-CG1 4.27Å; W150-V159 HydrophobicContact CE3-CB 4.25Å; W150-V159 HydrophobicContact CE3-CG1 4.3Å; W150-V159 HydrophobicContact CG-CB 4.46Å; W150-V159 HydrophobicContact CH2-CB 4.13Å; W150-V159 HydrophobicContact CH2-CG1 3.4Å; W150-V159 VanDerWaalsContact CH2-CG1 3.4Å; W150-V159 HydrophobicContact CZ2-CB 3.78Å; W150-V159 HydrophobicContact CZ2-CG1 3.36Å; W150-V159 HydrophobicContact CZ2-CG2 4.12Å; W150-V159 HydrophobicContact CZ3-CB 4.34Å; W150-V159 HydrophobicContact CZ3-CG1 3.88Å; W150-V159 PolarHBondContact N-O 3.02Å; W150-V159 VanDerWaalsContact N-O 3.12Å; W150-V159 PolarHBondContact O-N 2.9Å; V152-V159 HydrophobicContact CG2-CG2 3.68Å
160	V	98.6	Very high	97.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	106	174.3	-177.9	0	0	0	0	108.6	I116 I146 T149 L158 L162 L174	I116-V160 HydrophobicContact CB-CB 4.13Å; I116-V160 HydrophobicContact CD1-CG1 4.39Å; I116-V160 PolarHBondContact N-O 3.29Å; I116-V160 PolarHBondContact O-N 3.48Å; I146-V160 HydrophobicContact CD1-CG1 4Å; I146-V160 HydrophobicContact CG1-CG1 3.97Å; I146-V160 HydrophobicContact CG2-CG1 3.9Å; T149-V160 HydrophobicContact CG2-CB 4.1Å; T149-V160 HydrophobicContact CG2-CG1 3.87Å; T149-V160 HydrophobicContact CG2-CG2 3.9Å; L158-V160 HydrophobicContact CD1-CG2 4.45Å; L158-V160 HydrophobicContact CD2-CG2 4.38Å; L158-V160 HydrophobicContact CG-CG2 4.09Å; V160-L162 HydrophobicContact CG1-CD2 4Å; V160-L174 HydrophobicContact CG2-CD1 4.47Å
161	Q	98.4	Very high	97.5	Very high	48 Å²	48	45 Å²	45	22%	0.224	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	132	177.5	-171.7	175.5	28.6	0	0	110	R147 S148 W150	R147-Q161 WeakPolarHBondContact CB-O 3.4Å; R147-Q161 PolarHBondContact N-O 2.93Å; S148-Q161 PolarHBondContact N-O 3.41Å; S148-Q161 PolarHBondContact O-N 2.96Å; S148-Q161 PolarHBondContact OG-OE1 3.2Å; W150-Q161 HydrophobicContact CH2-CB 4.3Å; W150-Q161 HydrophobicContact CZ3-CB 3.98Å
162	L	98.4	Very high	97.5	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.016	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	159.1	-175.9	-53.1	179.5	0	0	0	111.4	D114 I116 L135 P144 A145 I146 V160 S164 L166	D114-L162 HydrophobicContact CB-CB 4.37Å; D114-L162 VanDerWaalsContact O-CB 3.3Å; D114-L162 WeakPolarHBondContact O-CB 3.29Å; D114-L162 WeakPolarHBondContact O-CG 3.46Å; D114-L162 PolarHBondContact O-N 3.46Å; I116-L162 HydrophobicContact CD1-CD1 4.15Å; I116-L162 HydrophobicContact CD1-CD2 4.28Å; I116-L162 HydrophobicContact CG1-CD1 4.3Å; L135-L162 HydrophobicContact CD2-CD1 4.1Å; L135-L162 HydrophobicContact CD2-CD2 3.67Å; P144-L162 HydrophobicContact CB-CB 4.06Å; P144-L162 HydrophobicContact CB-CD1 4.32Å; P144-L162 HydrophobicContact CG-CD1 4.33Å; A145-L162 CarbonylContact O-C 3.5Å; A145-L162 WeakPolarHBondContact O-CA 3.48Å; I146-L162 HydrophobicContact CG1-CD2 4.02Å; V160-L162 HydrophobicContact CG1-CD2 4Å; L162-S164 VanDerWaalsContact C-N 3.3Å; L162-S164 WeakPolarHBondContact CB-O 3.35Å; L162-L166 HydrophobicContact CD1-CD1 3.99Å; L162-L166 HydrophobicContact CD1-CD2 3.62Å; L162-L166 HydrophobicContact CD1-CG 3.59Å
163	S	97.5	Very high	97.5	Very high	76 Å²	76	42.8 Å²	42.8	53%	0.531	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	-20.5	175.8	63.4	0	0	0	0	113.3	A145	A145-S163 PolarHBondContact N-OG 3.02Å; A145-S163 PolarHBondContact O-N 3.04Å; A145-S163 PolarHBondContact O-OG 3.49Å
164	S	97.2	Very high	97.7	Very high	62 Å²	62	37 Å²	37	43%	0.434	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	164.6	178.2	62.8	0	0	0	0	110.1	P144 L162	P144-S164 WeakPolarHBondContact CB-O 3.36Å; P144-S164 WeakPolarHBondContact CB-OG 3.39Å; P144-S164 WeakPolarHBondContact CG-O 3.4Å; L162-S164 VanDerWaalsContact C-N 3.3Å; L162-S164 WeakPolarHBondContact CB-O 3.35Å
165	K	98	Very high	98	Very high	120 Å²	120	34.8 Å²	34.8	52%	0.522	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	147	-178.5	-58.4	-172.6	-172.6	179	0	112.5	E112 T113 D114	E112-K165 HydrophobicContact CB-CB 4.45Å; E112-K165 HydrophobicContact CB-CD 3.87Å; E112-K165 IonicContact OE2-NZ 3.66Å; T113-K165 CarbonylContact O-C 3.51Å; T113-K165 WeakPolarHBondContact O-CA 3.34Å; D114-K165 HydrophobicContact CB-CG 4.14Å
166	L	97.9	Very high	98.1	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	144.1	163.9	-59.9	172	0	0	0	109.8	L76 F107 C109 T113 I116 L135 P144 L162 Y172	L76-L166 HydrophobicContact CD2-CD1 3.78Å; F107-L166 HydrophobicContact CE2-CD1 3.89Å; F107-L166 HydrophobicContact CZ-CD1 4.41Å; C109-L166 HydrophobicContact CB-CB 4.09Å; T113-L166 HydrophobicContact CG2-CD1 4.22Å; T113-L166 PolarHBondContact O-N 3.28Å; I116-L166 HydrophobicContact CD1-CD1 4.39Å; I116-L166 HydrophobicContact CG1-CD1 4.05Å; L135-L166 HydrophobicContact CD2-CD2 4.3Å; P144-L166 HydrophobicContact CG-CD2 3.97Å; L162-L166 HydrophobicContact CD1-CD1 3.99Å; L162-L166 HydrophobicContact CD1-CD2 3.62Å; L162-L166 HydrophobicContact CD1-CG 3.59Å; L166-Y172 HydrophobicContact CB-CD2 4.5Å; L166-Y172 HydrophobicContact CB-CE2 3.82Å; L166-Y172 HydrophobicContact CD1-CD2 4.47Å; L166-Y172 HydrophobicContact CD2-CD1 3.81Å; L166-Y172 HydrophobicContact CD2-CD2 3.82Å; L166-Y172 HydrophobicContact CD2-CE1 3.64Å; L166-Y172 HydrophobicContact CD2-CE2 3.66Å; L166-Y172 HydrophobicContact CD2-CG 3.89Å; L166-Y172 HydrophobicContact CG-CD2 4.49Å; L166-Y172 HydrophobicContact CG-CE2 4.22Å
167	A	96.8	Very high	98.1	Very high	42 Å²	42	36.5 Å²	36.5	35%	0.347	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-89.9	132.9	-177	0	0	0	0	0	111.4	C109 G169 K170 Y172	C109-A167 VanDerWaalsContact CB-O 3.3Å; C109-A167 WeakPolarHBondContact CB-O 3.25Å; A167-G169 PolarHBondContact O-N 3.49Å; A167-K170 HydrophobicContact CB-CB 4.32Å; A167-K170 HydrophobicContact CB-CG 3.84Å; A167-K170 WeakPolarHBondContact O-CB 3.42Å; A167-K170 PolarHBondContact O-N 2.82Å; A167-K170 VanDerWaalsContact O-N 3.16Å; A167-Y172 PolarHBondContact N-OH 3.42Å
168	V	97.7	Very high	98.1	Very high	84 Å²	84	36.7 Å²	36.7	51%	0.509	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	136.7	178.8	176.9	0	0	0	0	111.2	E112 K170	E112-V168 HydrophobicContact CG-CG2 3.72Å; V168-K170 PolarHBondContact O-N 3.36Å
169	G	96.6	Very high	98.1	Very high	48 Å²	48	41.2 Å²	41.2	50%	0.495	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	-17.1	-179.4	0	0	0	0	0	114.6	C109 A167	C109-G169 PolarHBondContact O-N 2.71Å; A167-G169 PolarHBondContact O-N 3.49Å
170	K	97.7	Very high	98	Very high	88 Å²	88	41.5 Å²	41.5	38%	0.383	23%	0.23	S	C	.	.			trans	-79	155.2	174.8	-59.7	-63	-176.3	172.1	0	111.1	C109 A141 A167 V168 Y172	C109-K170 PolarHBondContact N-O 2.78Å; A141-K170 HydrophobicContact CB-CB 3.96Å; A141-K170 HydrophobicContact CB-CD 4.28Å; A141-K170 HydrophobicContact CB-CG 4.34Å; A167-K170 HydrophobicContact CB-CB 4.32Å; A167-K170 HydrophobicContact CB-CG 3.84Å; A167-K170 WeakPolarHBondContact O-CB 3.42Å; A167-K170 PolarHBondContact O-N 2.82Å; A167-K170 VanDerWaalsContact O-N 3.16Å; V168-K170 PolarHBondContact O-N 3.36Å; K170-Y172 HydrophobicContact CB-CE2 3.91Å
171	S	98.1	Very high	97.9	Very high	24 Å²	24	46.2 Å²	46.2	17%	0.168	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	147.8	179.7	-51.9	0	0	0	0	110.4	F107 Q138	F107-S171 CarbonylContact O-C 3.58Å; F107-S171 WeakPolarHBondContact O-CA 3.34Å; Q138-S171 WeakPolarHBondContact CB-O 3.32Å; Q138-S171 PolarHBondContact N-O 3.31Å
172	Y	98.6	Very high	97.8	Very high	5 Å²	5	44 Å²	44	2%	0.02	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	157	-174.5	-57.1	-89.6	0	0	0	108.9	V106 F107 C109 S136 A141 A143 L166 A167 K170	V106-Y172 CarbonylContact C-O 3.35Å; V106-Y172 VanDerWaalsContact CA-O 3.3Å; V106-Y172 WeakPolarHBondContact CA-O 3.37Å; F107-Y172 HydrophobicContact CE2-CD2 4.24Å; F107-Y172 HydrophobicContact CE2-CG 4.49Å; F107-Y172 HydrophobicContact CZ-CG 4.46Å; F107-Y172 PolarHBondContact N-O 2.86Å; F107-Y172 PolarHBondContact O-N 2.82Å; C109-Y172 HydrophobicContact CB-CE2 4.14Å; S136-Y172 CarbonylContact O-C 3.56Å; S136-Y172 WeakPolarHBondContact O-CA 3.42Å; A141-Y172 HydrophobicContact CB-CE1 4.23Å; A143-Y172 HydrophobicContact CB-CD1 4.3Å; L166-Y172 HydrophobicContact CB-CD2 4.5Å; L166-Y172 HydrophobicContact CB-CE2 3.82Å; L166-Y172 HydrophobicContact CD1-CD2 4.47Å; L166-Y172 HydrophobicContact CD2-CD1 3.81Å; L166-Y172 HydrophobicContact CD2-CD2 3.82Å; L166-Y172 HydrophobicContact CD2-CE1 3.64Å; L166-Y172 HydrophobicContact CD2-CE2 3.66Å; L166-Y172 HydrophobicContact CD2-CG 3.89Å; L166-Y172 HydrophobicContact CG-CD2 4.49Å; L166-Y172 HydrophobicContact CG-CE2 4.22Å; A167-Y172 PolarHBondContact N-OH 3.42Å; K170-Y172 HydrophobicContact CB-CE2 3.91Å
173	E	98.6	Very high	97.5	Very high	43 Å²	43	44.2 Å²	44.2	20%	0.201	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124	175.7	176	-176.8	-165.3	0	0	109.9	S104 V105 V106 L135 S136 Q138	S104-E173 WeakPolarHBondContact CB-OE1 3.41Å; S104-E173 PolarHBondContact OG-OE1 3.25Å; V105-E173 VanDerWaalsContact O-CA 3.29Å; V105-E173 WeakPolarHBondContact O-CA 3.48Å; V106-E173 HydrophobicContact CG2-CB 4.25Å; V106-E173 HydrophobicContact CG2-CG 4.37Å; L135-E173 WeakPolarHBondContact CA-O 3.05Å; S136-E173 PolarHBondContact N-O 2.89Å; S136-E173 PolarHBondContact O-N 3.12Å; S136-E173 PolarHBondContact OG-O 3.39Å; Q138-E173 HydrophobicContact CG-CB 4.41Å; Q138-E173 VanDerWaalsContact NE2-CB 3.28Å; Q138-E173 PolarHBondContact NE2-OE2 3.46Å
174	L	98.6	Very high	97	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	116.7	172.7	-173.1	76.4	0	0	0	108.7	S104 V105 F107 I116 I118 A133 K134 L135 V160	S104-L174 WeakPolarHBondContact CA-O 3.28Å; V105-L174 HydrophobicContact CG1-CB 3.85Å; V105-L174 PolarHBondContact N-O 3.1Å; V105-L174 PolarHBondContact O-N 2.93Å; F107-L174 HydrophobicContact CE1-CB 3.92Å; I116-L174 HydrophobicContact CD1-CD1 4.49Å; I116-L174 HydrophobicContact CG2-CD2 4.4Å; I118-L174 HydrophobicContact CD1-CD2 4.2Å; I118-L174 HydrophobicContact CG2-CD2 4.3Å; A133-L174 HydrophobicContact CB-CD1 3.62Å; A133-L174 HydrophobicContact CB-CG 4.11Å; K134-L174 WeakPolarHBondContact O-CA 3.5Å; L135-L174 HydrophobicContact CD1-CD1 4.25Å; V160-L174 HydrophobicContact CG2-CD1 4.47Å
175	Y	98.8	Very high	96.2	Very high	53 Å²	53	41.7 Å²	41.7	21%	0.208	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	133.8	177.4	178.4	-99.2	0	0	0	111.3	H102 S103 S104 Y128 A133 K134 E177	H102-Y175 HydrophobicContact CB-CE2 3.97Å; S103-Y175 WeakPolarHBondContact O-CA 3.38Å; S104-Y175 WeakPolarHBondContact OG-CD2 3.28Å; Y128-Y175 HydrophobicContact CE2-CD1 4.46Å; Y128-Y175 WeakPolarHBondContact OH-CE1 3.28Å; A133-Y175 CarbonylContact C-O 3.54Å; A133-Y175 VanDerWaalsContact CA-O 3.3Å; A133-Y175 WeakPolarHBondContact CA-O 3.41Å; K134-Y175 HydrophobicContact CD-CD1 4.21Å; K134-Y175 PolarHBondContact N-O 3.1Å; K134-Y175 PolarHBondContact O-N 2.7Å; Y175-E177 HydrophobicContact CE1-CG 3.8Å; Y175-E177 WeakPolarHBondContact OH-CG 3.44Å; Y175-E177 PolarHBondContact OH-OE1 3.29Å
176	T	98.7	Very high	95.6	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	144.9	177.4	56.6	0	0	0	0	110.9	H102 S103 F125 A133 L158 P218	H102-T176 CarbonylContact C-O 3.58Å; H102-T176 WeakPolarHBondContact CA-O 3.37Å; H102-T176 WeakPolarHBondContact CB-O 3.44Å; S103-T176 PolarHBondContact N-O 3.05Å; S103-T176 PolarHBondContact O-N 3.29Å; S103-T176 PolarHBondContact O-OG1 3.41Å; F125-T176 HydrophobicContact CD1-CG2 4.33Å; F125-T176 HydrophobicContact CE1-CG2 3.97Å; A133-T176 HydrophobicContact CB-CG2 3.81Å; L158-T176 HydrophobicContact CD2-CG2 4.42Å; T176-P218 HydrophobicContact CG2-CG 4.26Å
177	E	98.7	Very high	95.1	Very high	64 Å²	64	37 Å²	37	30%	0.299	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.9	166.2	-81.7	178.6	-148.2	0	0	108	G101 H102 F125 T126 Y128 Y175	G101-E177 WeakPolarHBondContact O-CA 3.46Å; H102-E177 HydrophobicContact CB-CG 3.79Å; F125-E177 WeakPolarHBondContact CA-O 3.49Å; T126-E177 PolarHBondContact N-O 2.92Å; Y128-E177 VanDerWaalsContact OH-CB 3.28Å; Y128-E177 WeakPolarHBondContact OH-CB 3.44Å; Y128-E177 WeakPolarHBondContact OH-CG 3.48Å; Y128-E177 PolarHBondContact OH-OE1 3.44Å; Y128-E177 PolarHBondContact OH-OE2 2.94Å; Y175-E177 HydrophobicContact CE1-CG 3.8Å; Y175-E177 WeakPolarHBondContact OH-CG 3.44Å; Y175-E177 PolarHBondContact OH-OE1 3.29Å
178	F	98.5	Very high	95	Very high	5 Å²	5	35 Å²	35	2%	0.022	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	160.7	-171.8	49.8	-94.9	0	0	0	113	L85 F99 T100 G101 L123 N124 F125 A216 F217 P218	L85-F178 HydrophobicContact CD2-CE2 3.94Å; L85-F178 HydrophobicContact CD2-CZ 4.25Å; F99-F178 HydrophobicContact CE2-CD2 4.24Å; F99-F178 HydrophobicContact CE2-CE2 4.14Å; T100-F178 CarbonylContact C-O 3.58Å; T100-F178 WeakPolarHBondContact CA-O 3.4Å; G101-F178 PolarHBondContact N-O 2.99Å; G101-F178 PolarHBondContact O-N 3.49Å; L123-F178 HydrophobicContact CB-CB 4.38Å; L123-F178 HydrophobicContact CD1-CD2 4.37Å; L123-F178 HydrophobicContact CD1-CG 4.4Å; L123-F178 HydrophobicContact CD2-CD2 4.01Å; N124-F178 CarbonylContact O-C 3.59Å; N124-F178 WeakPolarHBondContact O-CA 3.44Å; F125-F178 HydrophobicContact CD1-CB 4.32Å; F178-A216 WeakPolarHBondContact CE2-O 3.42Å; F178-F217 HydrophobicContact CE1-CB 3.99Å; F178-F217 HydrophobicContact CE2-CB 4.01Å; F178-F217 HydrophobicContact CZ-CB 3.37Å; F178-P218 HydrophobicContact CD1-CG 4.1Å; F178-P218 HydrophobicContact CE1-CG 4.29Å
179	R	98	Very high	95	Very high	94 Å²	94	31 Å²	31	36%	0.355	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.9	171.7	179.7	-179	173.4	-163.5	-1.4	108.9	F99 T100 N124	F99-R179 WeakPolarHBondContact O-CA 3.28Å; T100-R179 HydrophobicContact CG2-CB 4.12Å; T100-R179 HydrophobicContact CG2-CG 4.13Å; N124-R179 PolarHBondContact N-O 3.07Å; N124-R179 PolarHBondContact O-N 3.17Å
180	G	97.3	Very high	94.9	Very high	6 Å²	6	28.8 Å²	28.8	6%	0.062	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	161.6	171.5	0	0	0	0	0	111.6	I98 F99	I98-G180 WeakPolarHBondContact CA-O 3.5Å; F99-G180 PolarHBondContact N-O 2.92Å; F99-G180 PolarHBondContact O-N 3.35Å
181	E	96.6	Very high	94.8	Very high	100 Å²	100	25.9 Å²	25.9	47%	0.467	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	132.4	167.2	-170.3	-172	162	0	0	109.1	Y97 A183	Y97-E181 WeakPolarHBondContact O-CG 3.48Å; E181-A183 HydrophobicContact CG-CB 4.17Å; E181-A183 PolarHBondContact O-N 3.2Å
182	L	96.3	Very high	94.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	12%	0.115	C	C	.	.			trans	-84.9	69.6	167.5	-167.6	77.1	0	0	0	108	P87 L89 Y97 F99 F189 R191 A204	P87-L182 HydrophobicContact CB-CD2 4.3Å; L89-L182 HydrophobicContact CD2-CD2 4.45Å; Y97-L182 PolarHBondContact O-N 3.27Å; F99-L182 HydrophobicContact CD1-CB 4.4Å; F99-L182 HydrophobicContact CD1-CD1 4.3Å; L182-F189 HydrophobicContact CD1-CB 4.35Å; L182-F189 HydrophobicContact CD1-CD1 4.01Å; L182-F189 HydrophobicContact CD1-CD2 3.55Å; L182-F189 HydrophobicContact CD1-CE1 4.33Å; L182-F189 HydrophobicContact CD1-CE2 3.97Å; L182-F189 HydrophobicContact CD1-CG 3.64Å; L182-F189 HydrophobicContact CD1-CZ 4.36Å; L182-R191 HydrophobicContact CD2-CB 3.88Å; L182-R191 HydrophobicContact CG-CB 3.96Å; L182-R191 WeakPolarHBondContact O-CD 3.41Å; L182-R191 WeakPolarHBondContact O-CG 3.32Å; L182-R191 PolarHBondContact O-NH1 3.5Å; L182-A204 HydrophobicContact CD1-CB 4.08Å; L182-A204 HydrophobicContact CD2-CB 3.76Å
183	A	91.7	Very high	94	Very high	8 Å²	8	27 Å²	27	7%	0.066	13%	0.126	C	C	.	.			trans	-67.1	163.9	-173.8	0	0	0	0	0	112	E181 D185 Y190 R191	E181-A183 HydrophobicContact CG-CB 4.17Å; E181-A183 PolarHBondContact O-N 3.2Å; A183-D185 VanDerWaalsContact C-N 3.35Å; A183-D185 HydrophobicContact CB-CB 4.44Å; A183-Y190 CarbonylContact O-C 3.56Å; A183-Y190 VanDerWaalsContact O-CA 3.27Å; A183-Y190 WeakPolarHBondContact O-CA 3.33Å; A183-Y190 VanDerWaalsContact O-CB 3.22Å; A183-Y190 WeakPolarHBondContact O-CB 3.46Å; A183-R191 PolarHBondContact O-N 2.97Å
184	D	85.8	Confident	93.5	Very high	57 Å²	57	25.5 Å²	25.5	31%	0.305	12%	0.118	S	C	.	.	S	Bend	trans	-99.9	37.7	174.1	59.9	-45.9	0	0	0	111.7	R191 K852	D184-R191 HydrophobicContact CB-CG 4.19Å; D184-R191 IonicContact OD1-CZ 2.74Å; D184-R191 IonicContact OD1-NH1 3.54Å; D184-R191 IonicContact OD1-NH2 2.7Å; D184-R191 PolarHBondContact OD1-NH2 3.35Å; D184-R191 IonicContact OD2-NH2 2.81Å; D184-K852 IonicContact OD2-NZ 3.07Å; D184-K852 PolarHBondContact OD2-NZ 2.61Å
185	D	80.5	Confident	92.7	Very high	28 Å²	28	31 Å²	31	15%	0.15	15%	0.145	C	C	.	.	S	Bend	trans	-102.9	5.9	-174.7	63.8	-5.3	0	0	0	114.1	K122 A183 E187 K215	K122-D185 IonicContact NZ-OD2 3.44Å; A183-D185 VanDerWaalsContact C-N 3.35Å; A183-D185 HydrophobicContact CB-CB 4.44Å; D185-E187 VanDerWaalsContact C-N 3.27Å; D185-E187 PolarHBondContact O-N 2.95Å; D185-K215 IonicContact OD1-NZ 2.74Å; D185-K215 PolarHBondContact OD1-NZ 3.47Å; D185-K215 IonicContact OD2-NZ 3.2Å; D185-K215 PolarHBondContact OD2-NZ 2.81Å
186	L	85.7	Confident	92	Very high	10 Å²	10	30.1 Å²	30.1	5%	0.052	14%	0.144	C	C	.	.	S	Bend	trans	62	28.3	172	-48.1	173.4	0	0	0	113.9	Y190 D343 N345 F892	L186-Y190 HydrophobicContact CB-CE2 4.43Å; L186-Y190 HydrophobicContact CD2-CD2 3.83Å; L186-Y190 HydrophobicContact CD2-CE2 3.38Å; L186-Y190 HydrophobicContact CG-CE2 4.48Å; L186-D343 HydrophobicContact CD2-CB 4Å; L186-N345 HydrophobicContact CB-CB 4.03Å; L186-N345 HydrophobicContact CD1-CB 3.62Å; L186-N345 HydrophobicContact CG-CB 4.43Å; L186-F892 HydrophobicContact CD1-CE2 4.16Å; L186-F892 HydrophobicContact CD1-CZ 4.43Å
187	E	88.3	Confident	91.2	Very high	13 Å²	13	36.1 Å²	36.1	6%	0.061	18%	0.176	C	C	.	.	S	Bend	trans	-138.9	144	-178.5	-66.7	178.1	164.1	0	0	112.1	D185 Y212 K215 G890 S891	D185-E187 VanDerWaalsContact C-N 3.27Å; D185-E187 PolarHBondContact O-N 2.95Å; E187-Y212 HydrophobicContact CB-CD1 4.1Å; E187-Y212 HydrophobicContact CB-CD2 4.21Å; E187-Y212 HydrophobicContact CB-CE1 4.31Å; E187-Y212 HydrophobicContact CB-CE2 4.42Å; E187-Y212 HydrophobicContact CB-CG 4.04Å; E187-Y212 VanDerWaalsContact CD-CE1 3.46Å; E187-Y212 VanDerWaalsContact CD-OH 3.28Å; E187-Y212 HydrophobicContact CG-CD1 4.4Å; E187-Y212 HydrophobicContact CG-CD2 4.12Å; E187-Y212 HydrophobicContact CG-CE1 4.15Å; E187-Y212 HydrophobicContact CG-CE2 3.87Å; E187-Y212 HydrophobicContact CG-CG 4.37Å; E187-Y212 PolarHBondContact OE1-OH 3.06Å; E187-Y212 WeakPolarHBondContact OE2-CE1 3.5Å; E187-K215 PolarHBondContact O-NZ 2.91Å; E187-G890 WeakPolarHBondContact OE1-CA 3.26Å; E187-S891 PolarHBondContact OE1-N 2.94Å
188	G	94.4	Very high	90.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.5	-135.2	-179.8	0	0	0	0	0	110.7	S206 Q207 Y212	G188-S206 CarbonylContact O-C 3.57Å; G188-S206 WeakPolarHBondContact O-CA 3.41Å; G188-Q207 PolarHBondContact N-O 3.5Å; G188-Q207 PolarHBondContact O-N 2.94Å; G188-Y212 WeakPolarHBondContact CA-O 3.16Å
189	F	97.2	Very high	89.8	Confident	1 Å²	1	39.8 Å²	39.8	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	113.4	168.2	-164.8	-173	0	0	0	110	L85 P87 F99 L182 A204 T205 A216 F278	L85-F189 HydrophobicContact CB-CE1 4.2Å; L85-F189 HydrophobicContact CD1-CD1 4.2Å; L85-F189 HydrophobicContact CD1-CE1 4.12Å; P87-F189 HydrophobicContact CB-CE1 3.76Å; P87-F189 HydrophobicContact CB-CE2 4.45Å; P87-F189 HydrophobicContact CB-CZ 3.58Å; P87-F189 HydrophobicContact CG-CE1 4.06Å; P87-F189 HydrophobicContact CG-CZ 3.63Å; F99-F189 HydrophobicContact CB-CD1 3.94Å; F99-F189 HydrophobicContact CB-CE1 3.99Å; F99-F189 HydrophobicContact CD1-CB 4.33Å; F99-F189 AromaticContact CD1-CD1 3.76Å; F99-F189 HydrophobicContact CD1-CD1 3.76Å; F99-F189 HydrophobicContact CD1-CG 4.31Å; F99-F189 AromaticContact CD2-CD1 3.94Å; F99-F189 HydrophobicContact CD2-CD1 3.94Å; F99-F189 HydrophobicContact CE1-CB 4.05Å; F99-F189 HydrophobicContact CE1-CD1 4.22Å; F99-F189 HydrophobicContact CE2-CD1 4.38Å; F99-F189 AromaticContact CG-CD1 3.6Å; F99-F189 HydrophobicContact CG-CD1 3.6Å; F99-F189 HydrophobicContact CG-CE1 4.15Å; F99-F189 HydrophobicContact CZ-CB 4.36Å; L182-F189 HydrophobicContact CD1-CB 4.35Å; L182-F189 HydrophobicContact CD1-CD1 4.01Å; L182-F189 HydrophobicContact CD1-CD2 3.55Å; L182-F189 HydrophobicContact CD1-CE1 4.33Å; L182-F189 HydrophobicContact CD1-CE2 3.97Å; L182-F189 HydrophobicContact CD1-CG 3.64Å; L182-F189 HydrophobicContact CD1-CZ 4.36Å; F189-A204 HydrophobicContact CD2-CB 4.42Å; F189-A204 HydrophobicContact CE2-CB 3.56Å; F189-A204 HydrophobicContact CZ-CB 3.94Å; F189-T205 WeakPolarHBondContact CD2-O 3.43Å; F189-A216 HydrophobicContact CB-CB 4.06Å; F189-F278 HydrophobicContact CB-CE2 3.74Å; F189-F278 HydrophobicContact CB-CZ 4.21Å; F189-F278 HydrophobicContact CD1-CD2 4.41Å; F189-F278 AromaticContact CD1-CE2 3.75Å; F189-F278 HydrophobicContact CD1-CE2 3.75Å; F189-F278 HydrophobicContact CD1-CZ 4.42Å; F189-F278 AromaticContact CD2-CD2 3.71Å; F189-F278 HydrophobicContact CD2-CD2 3.71Å; F189-F278 AromaticContact CD2-CE2 3.3Å; F189-F278 HydrophobicContact CD2-CE2 3.3Å; F189-F278 HydrophobicContact CD2-CZ 4.48Å; F189-F278 HydrophobicContact CE1-CD2 4.22Å; F189-F278 HydrophobicContact CE1-CE2 4Å; F189-F278 AromaticContact CE2-CD2 3.43Å; F189-F278 HydrophobicContact CE2-CD2 3.43Å; F189-F278 VanDerWaalsContact CE2-CD2 3.43Å; F189-F278 AromaticContact CE2-CE2 3.54Å; F189-F278 HydrophobicContact CE2-CE2 3.54Å; F189-F278 HydrophobicContact CG-CD2 4.15Å; F189-F278 AromaticContact CG-CE2 3.36Å; F189-F278 HydrophobicContact CG-CE2 3.36Å; F189-F278 HydrophobicContact CG-CZ 4.19Å; F189-F278 AromaticContact CZ-CD2 3.7Å; F189-F278 HydrophobicContact CZ-CD2 3.7Å; F189-F278 AromaticContact CZ-CE2 3.87Å; F189-F278 HydrophobicContact CZ-CE2 3.87Å
190	Y	95.1	Very high	89.4	Confident	1 Å²	1	40.5 Å²	40.5	0%	0.004	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	169.1	-171.6	75.3	-89.5	0	0	0	111.8	A183 L186 A204 T205 Q207 D343 F344	A183-Y190 CarbonylContact O-C 3.56Å; A183-Y190 VanDerWaalsContact O-CA 3.27Å; A183-Y190 WeakPolarHBondContact O-CA 3.33Å; A183-Y190 VanDerWaalsContact O-CB 3.22Å; A183-Y190 WeakPolarHBondContact O-CB 3.46Å; L186-Y190 HydrophobicContact CB-CE2 4.43Å; L186-Y190 HydrophobicContact CD2-CD2 3.83Å; L186-Y190 HydrophobicContact CD2-CE2 3.38Å; L186-Y190 HydrophobicContact CG-CE2 4.48Å; Y190-A204 WeakPolarHBondContact O-CA 3.26Å; Y190-T205 HydrophobicContact CD1-CG2 4.25Å; Y190-T205 VanDerWaalsContact CD1-O 3.27Å; Y190-T205 WeakPolarHBondContact CD1-O 3.31Å; Y190-T205 HydrophobicContact CD2-CG2 4.15Å; Y190-T205 HydrophobicContact CE1-CG2 3.63Å; Y190-T205 HydrophobicContact CE2-CG2 3.51Å; Y190-T205 HydrophobicContact CG-CG2 4.48Å; Y190-T205 PolarHBondContact N-O 3.42Å; Y190-T205 PolarHBondContact O-N 3.02Å; Y190-T205 VanDerWaalsContact O-O 3.1Å; Y190-T205 WeakPolarHBondContact OH-CG2 3.35Å; Y190-Q207 HydrophobicContact CD1-CB 4.43Å; Y190-Q207 HydrophobicContact CE1-CB 3.81Å; Y190-D343 PolarHBondContact OH-O 3.31Å; Y190-F344 WeakPolarHBondContact OH-CD2 3.47Å
191	R	94.5	Very high	89.1	Confident	27 Å²	27	42.6 Å²	42.6	10%	0.102	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	141.3	172.9	75.9	-177.4	-174.3	-74.5	-10.6	111.8	L182 A183 D184 E193 V202 V203	L182-R191 HydrophobicContact CD2-CB 3.88Å; L182-R191 HydrophobicContact CG-CB 3.96Å; L182-R191 WeakPolarHBondContact O-CD 3.41Å; L182-R191 WeakPolarHBondContact O-CG 3.32Å; L182-R191 PolarHBondContact O-NH1 3.5Å; A183-R191 PolarHBondContact O-N 2.97Å; D184-R191 HydrophobicContact CB-CG 4.19Å; D184-R191 IonicContact OD1-CZ 2.74Å; D184-R191 IonicContact OD1-NH1 3.54Å; D184-R191 IonicContact OD1-NH2 2.7Å; D184-R191 PolarHBondContact OD1-NH2 3.35Å; D184-R191 IonicContact OD2-NH2 2.81Å; R191-E193 IonicContact NE-OE1 3.98Å; R191-E193 PolarHBondContact NE-OE1 3.43Å; R191-V202 HydrophobicContact CB-CG1 3.9Å; R191-V203 CarbonylContact C-O 3.47Å; R191-V203 VanDerWaalsContact CA-O 3.24Å; R191-V203 WeakPolarHBondContact CA-O 3.34Å
192	S	91.4	Very high	89.1	Confident	1 Å²	1	38.7 Å²	38.7	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	145.2	163	167.8	0	0	0	0	109.2	V202 V203 D343	S192-V202 WeakPolarHBondContact O-CA 3.44Å; S192-V203 PolarHBondContact N-O 3.21Å; S192-V203 PolarHBondContact O-N 3.46Å; S192-D343 VanDerWaalsContact OG-CB 3.28Å; S192-D343 WeakPolarHBondContact OG-CB 3.39Å; S192-D343 PolarHBondContact OG-N 3.06Å; S192-D343 PolarHBondContact OG-OD2 3.41Å
193	E	89.3	Confident	89.1	Confident	52 Å²	52	38.7 Å²	38.7	24%	0.243	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.2	-176.5	-59.3	-179.9	160.7	0	0	109.5	R191 K200 K201 V202 D343	R191-E193 IonicContact NE-OE1 3.98Å; R191-E193 PolarHBondContact NE-OE1 3.43Å; E193-K200 WeakPolarHBondContact OE1-CE 3.3Å; E193-K200 IonicContact OE1-NZ 2.75Å; E193-K200 PolarHBondContact OE1-NZ 2.96Å; E193-K200 VanDerWaalsContact OE1-NZ 3.08Å; E193-K200 WeakPolarHBondContact OE2-CE 3.21Å; E193-K200 IonicContact OE2-NZ 3.25Å; E193-K200 PolarHBondContact OE2-NZ 2.99Å; E193-K201 WeakPolarHBondContact CA-O 3.5Å; E193-V202 HydrophobicContact CG-CG2 4.43Å; E193-D343 PolarHBondContact N-OD2 3.2Å; E193-D343 VanDerWaalsContact N-OD2 3.09Å
194	Y	87.3	Confident	89.4	Confident	11 Å²	11	38.3 Å²	38.3	4%	0.043	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	161.4	178.1	71.8	-81	0	0	0	111.3	D196 K201 V203 F283 R300 P342	Y194-D196 HydrophobicContact CD2-CB 4.34Å; Y194-D196 HydrophobicContact CE2-CB 3.86Å; Y194-K201 HydrophobicContact CD1-CB 3.8Å; Y194-K201 HydrophobicContact CD2-CB 4.18Å; Y194-K201 HydrophobicContact CE1-CB 3.29Å; Y194-K201 HydrophobicContact CE1-CG 4.35Å; Y194-K201 HydrophobicContact CE2-CB 3.76Å; Y194-K201 HydrophobicContact CE2-CG 4.06Å; Y194-K201 HydrophobicContact CG-CB 4.21Å; Y194-K201 PolarHBondContact N-O 3.35Å; Y194-K201 PolarHBondContact O-N 2.89Å; Y194-V203 HydrophobicContact CD1-CG2 4.16Å; Y194-V203 HydrophobicContact CE1-CG2 3.72Å; Y194-F283 AromaticContact CE1-CE1 3.89Å; Y194-F283 HydrophobicContact CE1-CE1 3.89Å; Y194-F283 AromaticContact CZ-CE1 3.84Å; Y194-R300 HydrophobicContact CD2-CG 4.19Å; Y194-R300 HydrophobicContact CE2-CG 3.88Å; Y194-P342 HydrophobicContact CD1-CG 4.06Å; Y194-P342 HydrophobicContact CG-CG 3.96Å
195	M	83.4	Confident	90	Very high	116 Å²	116	35.6 Å²	35.6	57%	0.571	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	132.4	174.8	-62.5	-65	-89.4	0	0	109.4	G198 V199 K200	M195-G198 WeakPolarHBondContact CE-O 3.26Å; M195-V199 WeakPolarHBondContact CA-O 3.04Å; M195-K200 HydrophobicContact SD-CB 3.89Å; M195-K200 HydrophobicContact SD-CG 4.42Å
196	D	82.6	Confident	90.7	Very high	36 Å²	36	34.3 Å²	34.3	19%	0.193	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	109.9	173.4	-159.1	17.5	0	0	0	108.4	Y194 G198 V199 K201	Y194-D196 HydrophobicContact CD2-CB 4.34Å; Y194-D196 HydrophobicContact CE2-CB 3.86Å; D196-G198 PolarHBondContact O-N 3.39Å; D196-G198 VanDerWaalsContact O-N 3.13Å; D196-V199 PolarHBondContact N-O 3.43Å; D196-V199 WeakPolarHBondContact O-CB 3.17Å; D196-V199 PolarHBondContact O-N 3.23Å; D196-K201 HydrophobicContact CB-CG 3.98Å
197	D	82.3	Confident	91.2	Very high	129 Å²	129	34.5 Å²	34.5	69%	0.69	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.2	45.4	-174	-61.9	-28.5	0	0	0	113.9	V199 K302	D197-V199 VanDerWaalsContact C-N 3.3Å; D197-V199 PolarHBondContact O-N 2.71Å; D197-K302 IonicContact OD1-NZ 3.21Å; D197-K302 PolarHBondContact OD1-NZ 3.47Å
198	G	79.8	Confident	91.6	Very high	62 Å²	62	33.9 Å²	33.9	64%	0.639	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.7	-4.3	179.1	0	0	0	0	0	115.1	M195 D196	M195-G198 WeakPolarHBondContact CE-O 3.26Å; D196-G198 PolarHBondContact O-N 3.39Å; D196-G198 VanDerWaalsContact O-N 3.13Å
199	V	87.9	Confident	91.6	Very high	83 Å²	83	35 Å²	35	50%	0.503	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.6	176.9	-176.9	0	0	0	0	110.1	M195 D196 D197 K201	M195-V199 WeakPolarHBondContact CA-O 3.04Å; D196-V199 PolarHBondContact N-O 3.43Å; D196-V199 WeakPolarHBondContact O-CB 3.17Å; D196-V199 PolarHBondContact O-N 3.23Å; D197-V199 VanDerWaalsContact C-N 3.3Å; D197-V199 PolarHBondContact O-N 2.71Å; V199-K201 PolarHBondContact O-N 3.29Å
200	K	89.1	Confident	91.3	Very high	109 Å²	109	35.1 Å²	35.1	47%	0.474	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	125.3	173.1	-173.1	-179.7	179.2	-178.5	0	110.2	E193 M195	E193-K200 WeakPolarHBondContact OE1-CE 3.3Å; E193-K200 IonicContact OE1-NZ 2.75Å; E193-K200 PolarHBondContact OE1-NZ 2.96Å; E193-K200 VanDerWaalsContact OE1-NZ 3.08Å; E193-K200 WeakPolarHBondContact OE2-CE 3.21Å; E193-K200 IonicContact OE2-NZ 3.25Å; E193-K200 PolarHBondContact OE2-NZ 2.99Å; M195-K200 HydrophobicContact SD-CB 3.89Å; M195-K200 HydrophobicContact SD-CG 4.42Å
201	K	92.4	Very high	91.3	Very high	50 Å²	50	35.1 Å²	35.1	22%	0.217	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	154.9	177.8	-66.5	-70.9	-175.4	165.4	0	109.9	E193 Y194 D196 V199 E282	E193-K201 WeakPolarHBondContact CA-O 3.5Å; Y194-K201 HydrophobicContact CD1-CB 3.8Å; Y194-K201 HydrophobicContact CD2-CB 4.18Å; Y194-K201 HydrophobicContact CE1-CB 3.29Å; Y194-K201 HydrophobicContact CE1-CG 4.35Å; Y194-K201 HydrophobicContact CE2-CB 3.76Å; Y194-K201 HydrophobicContact CE2-CG 4.06Å; Y194-K201 HydrophobicContact CG-CB 4.21Å; Y194-K201 PolarHBondContact N-O 3.35Å; Y194-K201 PolarHBondContact O-N 2.89Å; D196-K201 HydrophobicContact CB-CG 3.98Å; V199-K201 PolarHBondContact O-N 3.29Å; K201-E282 WeakPolarHBondContact CE-OE2 3.37Å; K201-E282 IonicContact NZ-OE1 3.24Å; K201-E282 PolarHBondContact NZ-OE1 3.4Å; K201-E282 IonicContact NZ-OE2 3.15Å; K201-E282 PolarHBondContact NZ-OE2 3.27Å
202	V	95.3	Very high	91.4	Very high	19 Å²	19	35.3 Å²	35.3	12%	0.115	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	134.4	-176.9	-174.6	0	0	0	0	109.2	L89 Y97 R191 S192 E193	L89-V202 HydrophobicContact CB-CB 4.45Å; L89-V202 HydrophobicContact CD2-CG1 4.25Å; Y97-V202 HydrophobicContact CE1-CG1 4.21Å; Y97-V202 HydrophobicContact CE1-CG2 4.06Å; R191-V202 HydrophobicContact CB-CG1 3.9Å; S192-V202 WeakPolarHBondContact O-CA 3.44Å; E193-V202 HydrophobicContact CG-CG2 4.43Å
203	V	96.6	Very high	91.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.4	169.9	174.4	0	0	0	0	108	R191 S192 Y194 V279 C281 F283 L341	R191-V203 CarbonylContact C-O 3.47Å; R191-V203 VanDerWaalsContact CA-O 3.24Å; R191-V203 WeakPolarHBondContact CA-O 3.34Å; S192-V203 PolarHBondContact N-O 3.21Å; S192-V203 PolarHBondContact O-N 3.46Å; Y194-V203 HydrophobicContact CD1-CG2 4.16Å; Y194-V203 HydrophobicContact CE1-CG2 3.72Å; V203-V279 HydrophobicContact CG1-CG1 3.75Å; V203-C281 HydrophobicContact CB-CB 4.3Å; V203-C281 HydrophobicContact CG1-CB 3.87Å; V203-C281 HydrophobicContact CG2-CB 3.72Å; V203-F283 HydrophobicContact CG2-CE1 3.85Å; V203-F283 HydrophobicContact CG2-CZ 3.91Å; V203-L341 HydrophobicContact CG1-CD2 4.27Å
204	A	98.1	Very high	92.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129.8	163.5	0	0	0	0	0	108.3	P87 L89 L182 F189 Y190 V279 V280	P87-A204 HydrophobicContact CB-CB 3.76Å; P87-A204 HydrophobicContact CG-CB 4.11Å; L89-A204 HydrophobicContact CD2-CB 3.61Å; L182-A204 HydrophobicContact CD1-CB 4.08Å; L182-A204 HydrophobicContact CD2-CB 3.76Å; F189-A204 HydrophobicContact CD2-CB 4.42Å; F189-A204 HydrophobicContact CE2-CB 3.56Å; F189-A204 HydrophobicContact CZ-CB 3.94Å; Y190-A204 WeakPolarHBondContact O-CA 3.26Å; A204-V279 CarbonylContact O-C 3.5Å; A204-V279 VanDerWaalsContact O-CA 3.29Å; A204-V279 WeakPolarHBondContact O-CA 3.28Å; A204-V280 HydrophobicContact CB-CB 4.3Å; A204-V280 PolarHBondContact N-O 2.89Å; A204-V280 PolarHBondContact O-N 2.93Å
205	T	97.7	Very high	92.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	168.2	-177.1	-173.1	0	0	0	0	111	F189 Y190 F278 V279 L341	F189-T205 WeakPolarHBondContact CD2-O 3.43Å; Y190-T205 HydrophobicContact CD1-CG2 4.25Å; Y190-T205 VanDerWaalsContact CD1-O 3.27Å; Y190-T205 WeakPolarHBondContact CD1-O 3.31Å; Y190-T205 HydrophobicContact CD2-CG2 4.15Å; Y190-T205 HydrophobicContact CE1-CG2 3.63Å; Y190-T205 HydrophobicContact CE2-CG2 3.51Å; Y190-T205 HydrophobicContact CG-CG2 4.48Å; Y190-T205 PolarHBondContact N-O 3.42Å; Y190-T205 PolarHBondContact O-N 3.02Å; Y190-T205 VanDerWaalsContact O-O 3.1Å; Y190-T205 WeakPolarHBondContact OH-CG2 3.35Å; T205-F278 WeakPolarHBondContact CA-O 3.46Å; T205-V279 WeakPolarHBondContact OG1-CG2 3.4Å; T205-L341 HydrophobicContact CG2-CD1 4.01Å; T205-L341 HydrophobicContact CG2-CD2 4.43Å; T205-L341 WeakPolarHBondContact OG1-CD1 3.41Å
206	S	96.8	Very high	93.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	141.4	-172.1	53.7	0	0	0	0	113.3	G188 A277 F278	G188-S206 CarbonylContact O-C 3.57Å; G188-S206 WeakPolarHBondContact O-CA 3.41Å; S206-A277 WeakPolarHBondContact OG-CA 3.42Å; S206-A277 WeakPolarHBondContact OG-CB 3.44Å; S206-F278 PolarHBondContact N-O 3.42Å; S206-F278 PolarHBondContact OG-N 2.84Å; S206-F278 PolarHBondContact OG-O 3.46Å
207	Q	95.9	Very high	94.2	Very high	14 Å²	14	26 Å²	26	7%	0.065	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	98.2	164.1	176.3	61.1	19.8	0	0	108.6	G188 Y190	G188-Q207 PolarHBondContact N-O 3.5Å; G188-Q207 PolarHBondContact O-N 2.94Å; Y190-Q207 HydrophobicContact CD1-CB 4.43Å; Y190-Q207 HydrophobicContact CE1-CB 3.81Å
208	M	96.9	Very high	95	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.113	C	C	.	.			trans	-92.1	-24	-173.4	-51.1	-46.9	-175.2	0	0	113.3	A210 T211 Y212 A213 A216 Y274 L276 F278	M208-A210 CarbonylContact O-C 3.52Å; M208-T211 PolarHBondContact O-N 3.44Å; M208-Y212 WeakPolarHBondContact O-CA 3.44Å; M208-Y212 PolarHBondContact O-N 3.49Å; M208-A213 HydrophobicContact CB-CB 4.08Å; M208-A213 HydrophobicContact CG-CB 4.26Å; M208-A213 HydrophobicContact SD-CB 4.45Å; M208-A216 HydrophobicContact CE-CB 3.93Å; M208-A216 HydrophobicContact SD-CB 4.38Å; M208-Y274 WeakPolarHBondContact CB-O 3.4Å; M208-L276 WeakPolarHBondContact CG-O 3.2Å; M208-F278 HydrophobicContact CE-CD1 4.41Å; M208-F278 HydrophobicContact CE-CE1 3.45Å; M208-F278 VanDerWaalsContact CE-CE1 3.45Å; M208-F278 HydrophobicContact CE-CE2 3.8Å; M208-F278 HydrophobicContact CE-CZ 3.09Å
209	Q	94.3	Very high	95.9	Very high	23 Å²	23	17 Å²	17	11%	0.107	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	133.4	-179.3	-167.7	-168.9	56.1	0	0	111.2	Y212 Y274 M349 E350 W399 F467	Q209-Y212 WeakPolarHBondContact O-CD2 3.12Å; Q209-Y274 HydrophobicContact CB-CD2 3.97Å; Q209-Y274 HydrophobicContact CG-CD2 3.81Å; Q209-Y274 HydrophobicContact CG-CE2 4.37Å; Q209-M349 HydrophobicContact CB-CE 3.74Å; Q209-M349 HydrophobicContact CB-SD 3.42Å; Q209-M349 WeakPolarHBondContact CB-SD 3.34Å; Q209-M349 HydrophobicContact CG-CE 4.3Å; Q209-M349 HydrophobicContact CG-SD 4.11Å; Q209-M349 PolarHBondContact OE1-SD 2.99Å; Q209-M349 VanDerWaalsContact OE1-SD 3.42Å; Q209-E350 PolarHBondContact NE2-OE1 3.28Å; Q209-W399 HydrophobicContact CG-CH2 4.33Å; Q209-F467 VanDerWaalsContact CD-CE1 3.43Å; Q209-F467 HydrophobicContact CG-CE1 4.06Å; Q209-F467 HydrophobicContact CG-CZ 3.81Å
210	A	90.3	Very high	96.4	Very high	5 Å²	5	13.1 Å²	13.1	4%	0.041	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.2	-32.7	-1.3	0	0	0	0	0	113.7	M208 W399 I463 F467	M208-A210 CarbonylContact O-C 3.52Å; A210-W399 HydrophobicContact CB-CD2 4.44Å; A210-W399 HydrophobicContact CB-CH2 4Å; A210-W399 HydrophobicContact CB-CZ2 3.85Å; A210-W399 HydrophobicContact CB-CZ3 4.35Å; A210-W399 VanDerWaalsContact O-CZ2 3.26Å; A210-W399 WeakPolarHBondContact O-CZ2 3.13Å; A210-I463 HydrophobicContact CB-CG2 3.43Å; A210-I463 VanDerWaalsContact CB-CG2 3.43Å; A210-F467 HydrophobicContact CB-CE2 3.83Å; A210-F467 HydrophobicContact CB-CZ 4.07Å
211	T	95.9	Very high	96.8	Very high	1 Å²	1	8 Å²	8	1%	0.006	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.9	35	-167.7	59.5	0	0	0	0	112.9	M208 R214 D221 I463	M208-T211 PolarHBondContact O-N 3.44Å; T211-R214 WeakPolarHBondContact O-CD 3.06Å; T211-R214 WeakPolarHBondContact O-CG 3.38Å; T211-R214 PolarHBondContact O-NE 2.93Å; T211-D221 VanDerWaalsContact C-OD2 3.28Å; T211-I463 HydrophobicContact CG2-CD1 3.76Å
212	Y	96.9	Very high	97.1	Very high	31 Å²	31	5.9 Å²	5.9	12%	0.122	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-1.4	-172.2	-58.2	-62.3	0	0	0	114.7	E187 G188 M208 Q209 R214 K215	E187-Y212 HydrophobicContact CB-CD1 4.1Å; E187-Y212 HydrophobicContact CB-CD2 4.21Å; E187-Y212 HydrophobicContact CB-CE1 4.31Å; E187-Y212 HydrophobicContact CB-CE2 4.42Å; E187-Y212 HydrophobicContact CB-CG 4.04Å; E187-Y212 VanDerWaalsContact CD-CE1 3.46Å; E187-Y212 VanDerWaalsContact CD-OH 3.28Å; E187-Y212 HydrophobicContact CG-CD1 4.4Å; E187-Y212 HydrophobicContact CG-CD2 4.12Å; E187-Y212 HydrophobicContact CG-CE1 4.15Å; E187-Y212 HydrophobicContact CG-CE2 3.87Å; E187-Y212 HydrophobicContact CG-CG 4.37Å; E187-Y212 PolarHBondContact OE1-OH 3.06Å; E187-Y212 WeakPolarHBondContact OE2-CE1 3.5Å; G188-Y212 WeakPolarHBondContact CA-O 3.16Å; M208-Y212 WeakPolarHBondContact O-CA 3.44Å; M208-Y212 PolarHBondContact O-N 3.49Å; Q209-Y212 WeakPolarHBondContact O-CD2 3.12Å; Y212-R214 PolarHBondContact O-N 2.92Å; Y212-K215 WeakPolarHBondContact O-CB 3.45Å; Y212-K215 PolarHBondContact O-N 2.86Å
213	A	98.6	Very high	97.3	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-57.7	-38.2	169.6	0	0	0	0	0	110.8	M208 K215 A216 F217 D221	M208-A213 HydrophobicContact CB-CB 4.08Å; M208-A213 HydrophobicContact CG-CB 4.26Å; M208-A213 HydrophobicContact SD-CB 4.45Å; A213-K215 PolarHBondContact O-N 3.01Å; A213-A216 PolarHBondContact O-N 3.34Å; A213-F217 HydrophobicContact CB-CE1 4.47Å; A213-F217 PolarHBondContact O-N 2.98Å; A213-F217 VanDerWaalsContact O-N 3.11Å; A213-D221 WeakPolarHBondContact CB-OD1 3.48Å
214	R	98.4	Very high	97.3	Very high	10 Å²	10	6.9 Å²	6.9	4%	0.038	4%	0.038	C	C	.	.	H	α-helix	trans	-56.7	-15.3	173.2	69	-171.3	67.5	-172.5	-3.3	115.6	H119 A120 N121 T211 Y212 F217 D221	H119-R214 HydrophobicContact CB-CB 3.55Å; H119-R214 HydrophobicContact CB-CG 4.37Å; H119-R214 PolarHBondContact CD2-NH1 2.84Å; H119-R214 PolarHBondContact CE1-NH2 3.46Å; H119-R214 VanDerWaalsContact CE1-NH2 3.27Å; H119-R214 VanDerWaalsContact CG-CZ 3.46Å; H119-R214 PolarHBondContact ND1-NH2 3.41Å; H119-R214 PolarHBondContact NE2-NH1 3.22Å; H119-R214 PolarHBondContact NE2-NH2 2.98Å; A120-R214 WeakPolarHBondContact CA-O 3.4Å; N121-R214 HydrophobicContact CB-CG 3.99Å; N121-R214 PolarHBondContact N-O 3.05Å; T211-R214 WeakPolarHBondContact O-CD 3.06Å; T211-R214 WeakPolarHBondContact O-CG 3.38Å; T211-R214 PolarHBondContact O-NE 2.93Å; Y212-R214 PolarHBondContact O-N 2.92Å; R214-F217 CarbonylContact C-O 3.56Å; R214-F217 WeakPolarHBondContact CA-O 3.17Å; R214-D221 HydrophobicContact CB-CB 4.19Å; R214-D221 WeakPolarHBondContact CB-OD2 3.46Å; R214-D221 WeakPolarHBondContact CG-OD2 3.44Å; R214-D221 IonicContact CZ-OD2 3.86Å; R214-D221 PolarHBondContact N-OD2 3.46Å; R214-D221 IonicContact NE-OD2 2.92Å; R214-D221 PolarHBondContact NE-OD2 3.11Å; R214-D221 PolarHBondContact NH2-O 3.24Å; R214-D221 IonicContact NH2-OD2 3.71Å
215	K	97.6	Very high	97.4	Very high	9 Å²	9	8 Å²	8	4%	0.039	4%	0.044	C	C	.	.	H	α-helix	trans	-90.5	-18.6	175.7	-170.9	-174.9	165	-154.4	0	112.3	N121 L123 D185 E187 Y212 A213	N121-K215 WeakPolarHBondContact O-CA 3.37Å; L123-K215 WeakPolarHBondContact CD2-O 3.41Å; D185-K215 IonicContact OD1-NZ 2.74Å; D185-K215 PolarHBondContact OD1-NZ 3.47Å; D185-K215 IonicContact OD2-NZ 3.2Å; D185-K215 PolarHBondContact OD2-NZ 2.81Å; E187-K215 PolarHBondContact O-NZ 2.91Å; Y212-K215 WeakPolarHBondContact O-CB 3.45Å; Y212-K215 PolarHBondContact O-N 2.86Å; A213-K215 PolarHBondContact O-N 3.01Å
216	A	98.3	Very high	97.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-92.6	-39.5	175.1	0	0	0	0	0	112.3	F99 F178 F189 M208 A213 F278	F99-A216 VanDerWaalsContact CE2-O 3.32Å; F99-A216 WeakPolarHBondContact CE2-O 3.37Å; F178-A216 WeakPolarHBondContact CE2-O 3.42Å; F189-A216 HydrophobicContact CB-CB 4.06Å; M208-A216 HydrophobicContact CE-CB 3.93Å; M208-A216 HydrophobicContact SD-CB 4.38Å; A213-A216 PolarHBondContact O-N 3.34Å; A216-F278 HydrophobicContact CB-CZ 3.78Å
217	F	98.7	Very high	97.5	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.045	C	C	.	.	S	Bend	trans	-157.4	158.9	176.4	64.3	-75.8	0	0	0	110.3	Y81 V83 F178 A213 R214 C219 F229 L276	Y81-F217 AromaticContact CD1-CE2 3.94Å; Y81-F217 HydrophobicContact CD1-CE2 3.94Å; Y81-F217 HydrophobicContact CE1-CE2 4.15Å; V83-F217 HydrophobicContact CG1-CD1 4.32Å; V83-F217 HydrophobicContact CG1-CG 4.25Å; V83-F217 HydrophobicContact CG2-CD2 4.02Å; V83-F217 HydrophobicContact CG2-CE2 3.94Å; V83-F217 HydrophobicContact CG2-CG 4.43Å; V83-F217 HydrophobicContact CG2-CZ 4.33Å; F178-F217 HydrophobicContact CE1-CB 3.99Å; F178-F217 HydrophobicContact CE2-CB 4.01Å; F178-F217 HydrophobicContact CZ-CB 3.37Å; A213-F217 HydrophobicContact CB-CE1 4.47Å; A213-F217 PolarHBondContact O-N 2.98Å; A213-F217 VanDerWaalsContact O-N 3.11Å; R214-F217 CarbonylContact C-O 3.56Å; R214-F217 WeakPolarHBondContact CA-O 3.17Å; F217-C219 HydrophobicContact CD2-CB 3.98Å; F217-C219 HydrophobicContact CE2-CB 3.52Å; F217-C219 HydrophobicContact CZ-CB 4.09Å; F217-C219 PolarHBondContact O-N 3.34Å; F217-F229 HydrophobicContact CE2-CE1 4.28Å; F217-F229 HydrophobicContact CZ-CD1 4.46Å; F217-F229 AromaticContact CZ-CE1 3.97Å; F217-F229 HydrophobicContact CZ-CE1 3.97Å; F217-L276 HydrophobicContact CE1-CD2 3.54Å; F217-L276 HydrophobicContact CZ-CD2 3.69Å
218	P	98.6	Very high	97.6	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.013	6%	0.057	C	C	.	.			trans	-69.1	125.5	176.5	-15.9	30.3	0	0	0	111.2	I118 H119 A120 L123 F125 T176 F178	I118-P218 HydrophobicContact CD1-CB 4.28Å; H119-P218 CarbonylContact O-C 3.6Å; H119-P218 VanDerWaalsContact O-CA 3.24Å; H119-P218 WeakPolarHBondContact O-CA 3.31Å; A120-P218 HydrophobicContact CB-CB 4.39Å; L123-P218 HydrophobicContact CD1-CG 4.19Å; F125-P218 HydrophobicContact CE1-CB 4.45Å; F125-P218 HydrophobicContact CE1-CG 3.44Å; F125-P218 VanDerWaalsContact CE1-CG 3.44Å; F125-P218 HydrophobicContact CZ-CB 4.4Å; F125-P218 HydrophobicContact CZ-CG 3.58Å; T176-P218 HydrophobicContact CG2-CG 4.26Å; F178-P218 HydrophobicContact CD1-CG 4.1Å; F178-P218 HydrophobicContact CE1-CG 4.29Å
219	C	98.8	Very high	97.7	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.057	C	C	.	.	B	Isolated β-bridge	trans	-151.9	161.2	-177.7	60	0	0	0	0	113.9	Y81 I118 H119 F217 D221 T273	Y81-C219 HydrophobicContact CE1-CB 3.85Å; I118-C219 WeakPolarHBondContact CG1-O 3.36Å; H119-C219 VanDerWaalsContact CB-O 3.32Å; H119-C219 WeakPolarHBondContact CB-O 3.5Å; H119-C219 PolarHBondContact N-O 2.85Å; H119-C219 PolarHBondContact O-N 2.77Å; F217-C219 HydrophobicContact CD2-CB 3.98Å; F217-C219 HydrophobicContact CE2-CB 3.52Å; F217-C219 HydrophobicContact CZ-CB 4.09Å; F217-C219 PolarHBondContact O-N 3.34Å; C219-D221 PolarHBondContact O-N 2.82Å; C219-T273 HydrophobicContact CB-CG2 4.01Å
220	F	98.8	Very high	97.9	Very high	3 Å²	3	11.2 Å²	11.2	1%	0.013	7%	0.065	C	C	.	.			trans	-73.9	72.6	168.7	-67.9	-86.9	0	0	0	109.2	L72 L76 P78 Y81 V105 F107 I116 L117 I118 E222 M225	L72-F220 HydrophobicContact CD1-CB 4.18Å; L72-F220 HydrophobicContact CD1-CD1 4.03Å; L76-F220 HydrophobicContact CB-CE1 3.97Å; L76-F220 HydrophobicContact CB-CZ 4.09Å; L76-F220 HydrophobicContact CD1-CE1 4.4Å; L76-F220 HydrophobicContact CD1-CZ 4.28Å; P78-F220 HydrophobicContact CB-CB 4.48Å; P78-F220 HydrophobicContact CB-CD2 3.78Å; P78-F220 HydrophobicContact CB-CE2 4.4Å; P78-F220 HydrophobicContact CB-CG 4.37Å; P78-F220 HydrophobicContact CG-CB 3.97Å; P78-F220 HydrophobicContact CG-CD2 4.12Å; P78-F220 HydrophobicContact CG-CG 4.2Å; Y81-F220 WeakPolarHBondContact OH-CD2 3.41Å; Y81-F220 PolarHBondContact OH-N 2.92Å; V105-F220 HydrophobicContact CG1-CE2 4.35Å; V105-F220 HydrophobicContact CG2-CD2 4.22Å; V105-F220 HydrophobicContact CG2-CE2 4.11Å; F107-F220 HydrophobicContact CB-CE2 4.15Å; F107-F220 HydrophobicContact CB-CZ 4.43Å; F107-F220 HydrophobicContact CD1-CE2 4.47Å; F107-F220 HydrophobicContact CG-CE2 4.37Å; F107-F220 HydrophobicContact CG-CZ 4.37Å; I116-F220 HydrophobicContact CG2-CZ 4.48Å; L117-F220 WeakPolarHBondContact O-CE1 3.37Å; I118-F220 HydrophobicContact CD1-CD2 4.25Å; I118-F220 HydrophobicContact CD1-CE2 4.16Å; I118-F220 HydrophobicContact CG1-CD2 4.38Å; I118-F220 HydrophobicContact CG1-CE2 4.49Å; F220-E222 PolarHBondContact O-N 3.4Å; F220-M225 HydrophobicContact CB-CB 4.05Å; F220-M225 HydrophobicContact CB-SD 3.7Å; F220-M225 HydrophobicContact CD1-SD 3.93Å; F220-M225 HydrophobicContact CG-SD 4.21Å
221	D	98.7	Very high	98.3	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.011	6%	0.064	C	C	.	.			trans	-79.6	57.9	-166.4	-160.1	22	0	0	0	114.4	H119 T211 A213 R214 C219 T273	H119-D221 HydrophobicContact CB-CB 3.84Å; H119-D221 WeakPolarHBondContact ND1-CB 3.41Å; H119-D221 PolarHBondContact ND1-N 3.35Å; T211-D221 VanDerWaalsContact C-OD2 3.28Å; A213-D221 WeakPolarHBondContact CB-OD1 3.48Å; R214-D221 HydrophobicContact CB-CB 4.19Å; R214-D221 WeakPolarHBondContact CB-OD2 3.46Å; R214-D221 WeakPolarHBondContact CG-OD2 3.44Å; R214-D221 IonicContact CZ-OD2 3.86Å; R214-D221 PolarHBondContact N-OD2 3.46Å; R214-D221 IonicContact NE-OD2 2.92Å; R214-D221 PolarHBondContact NE-OD2 3.11Å; R214-D221 PolarHBondContact NH2-O 3.24Å; R214-D221 IonicContact NH2-OD2 3.71Å; C219-D221 PolarHBondContact O-N 2.82Å; D221-T273 WeakPolarHBondContact OD1-CB 3.3Å; D221-T273 PolarHBondContact OD1-OG1 3Å
222	E	98.7	Very high	98.5	Very high	5 Å²	5	12.8 Å²	12.8	2%	0.023	8%	0.075	C	C	.	.	S	Bend	trans	-127.8	142.5	169.3	-64.7	-167.1	-173	0	0	110	R71 L72 F220 A224 M225 W398	R71-E222 WeakPolarHBondContact CA-OE1 3.34Å; R71-E222 IonicContact CZ-OE2 2.73Å; R71-E222 IonicContact NE-OE1 3.91Å; R71-E222 PolarHBondContact NE-OE1 3.2Å; R71-E222 IonicContact NE-OE2 2.8Å; R71-E222 PolarHBondContact NE-OE2 2.9Å; R71-E222 VanDerWaalsContact NE-OE2 3.09Å; R71-E222 IonicContact NH2-OE2 3.76Å; R71-E222 PolarHBondContact NH2-OE2 3.44Å; L72-E222 HydrophobicContact CD1-CG 4.16Å; L72-E222 PolarHBondContact N-OE1 3.38Å; F220-E222 PolarHBondContact O-N 3.4Å; E222-A224 VanDerWaalsContact C-N 3.27Å; E222-A224 PolarHBondContact O-N 3.25Å; E222-A224 VanDerWaalsContact O-N 3.17Å; E222-M225 HydrophobicContact CB-CG 4.38Å; E222-M225 PolarHBondContact O-N 3Å; E222-W398 HydrophobicContact CB-CZ3 3.94Å; E222-W398 HydrophobicContact CG-CH2 4.28Å; E222-W398 HydrophobicContact CG-CZ3 3.67Å
223	P	98.3	Very high	98.6	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.006	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-30.3	-170.8	21.5	-32.2	0	0	0	114.2	M225 S272 T395 L396 W398 W399 N506	P223-M225 VanDerWaalsContact C-N 3.28Å; P223-M225 PolarHBondContact O-N 3.14Å; P223-S272 PolarHBondContact O-OG 3.46Å; P223-T395 HydrophobicContact CB-CG2 4.03Å; P223-L396 HydrophobicContact CB-CD2 4Å; P223-L396 HydrophobicContact CG-CD2 3.66Å; P223-W398 HydrophobicContact CG-CE3 4.25Å; P223-W399 HydrophobicContact CB-CZ2 4.48Å; P223-W399 HydrophobicContact CG-CD2 4.48Å; P223-W399 HydrophobicContact CG-CZ2 4.2Å; P223-N506 PolarHBondContact O-ND2 3.06Å
224	A	97.9	Very high	98.6	Very high	39 Å²	39	11.8 Å²	11.8	32%	0.322	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-20	175.4	0	0	0	0	0	114.8	E222 K226 Q397 N506	E222-A224 VanDerWaalsContact C-N 3.27Å; E222-A224 PolarHBondContact O-N 3.25Å; E222-A224 VanDerWaalsContact O-N 3.17Å; A224-K226 PolarHBondContact O-N 3.45Å; A224-Q397 HydrophobicContact CB-CG 4.28Å; A224-N506 WeakPolarHBondContact CA-ND2 3.49Å; A224-N506 WeakPolarHBondContact CA-OD1 3.39Å; A224-N506 PolarHBondContact O-OD1 3.45Å
225	M	98.4	Very high	98.5	Very high	24 Å²	24	11.6 Å²	11.6	12%	0.118	7%	0.071	C	C	.	.	S	Bend	trans	-89.9	54.3	-175.9	-63.8	-168	176.4	0	0	111.4	L72 P78 F220 E222 P223	L72-M225 HydrophobicContact CB-CE 3.7Å; L72-M225 HydrophobicContact CB-SD 4.26Å; L72-M225 HydrophobicContact CD1-CE 4.32Å; L72-M225 HydrophobicContact CD1-SD 3.76Å; P78-M225 HydrophobicContact CG-CB 3.88Å; P78-M225 VanDerWaalsContact CG-O 3.27Å; P78-M225 WeakPolarHBondContact CG-O 3.37Å; F220-M225 HydrophobicContact CB-CB 4.05Å; F220-M225 HydrophobicContact CB-SD 3.7Å; F220-M225 HydrophobicContact CD1-SD 3.93Å; F220-M225 HydrophobicContact CG-SD 4.21Å; E222-M225 HydrophobicContact CB-CG 4.38Å; E222-M225 PolarHBondContact O-N 3Å; P223-M225 VanDerWaalsContact C-N 3.28Å; P223-M225 PolarHBondContact O-N 3.14Å
226	K	98.8	Very high	98.4	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.009	9%	0.085	C	C	.	.			trans	-64.5	143.5	-178.5	-66.8	-169.6	171.4	-172.8	0	113	A224 K270 M271 S272 N392 L393 T395 S505	A224-K226 PolarHBondContact O-N 3.45Å; K226-K270 HydrophobicContact CB-CD 4.31Å; K226-K270 HydrophobicContact CB-CG 3.7Å; K226-K270 VanDerWaalsContact O-CE 3.26Å; K226-K270 WeakPolarHBondContact O-CE 3.31Å; K226-M271 CarbonylContact C-O 3.58Å; K226-M271 WeakPolarHBondContact CA-O 3.39Å; K226-M271 WeakPolarHBondContact CB-O 3.47Å; K226-S272 WeakPolarHBondContact CE-OG 3.29Å; K226-S272 WeakPolarHBondContact CG-OG 3.43Å; K226-N392 PolarHBondContact NZ-O 2.77Å; K226-L393 PolarHBondContact NZ-O 2.93Å; K226-T395 WeakPolarHBondContact CE-OG1 3.21Å; K226-T395 PolarHBondContact NZ-OG1 3.05Å; K226-S505 WeakPolarHBondContact CE-O 3.48Å; K226-S505 PolarHBondContact NZ-O 2.89Å
227	A	98.8	Very high	98.1	Very high	1 Å²	1	20 Å²	20	1%	0.008	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-148.6	168.9	178.5	0	0	0	0	0	111.7	P78 L79 Y81 F229 K270 M271	P78-A227 HydrophobicContact CB-CB 4.15Å; P78-A227 HydrophobicContact CG-CB 4.43Å; L79-A227 WeakPolarHBondContact O-CA 3.24Å; L79-A227 WeakPolarHBondContact O-CB 3.31Å; Y81-A227 HydrophobicContact CD2-CB 3.56Å; Y81-A227 HydrophobicContact CE2-CB 3.47Å; Y81-A227 VanDerWaalsContact CE2-CB 3.47Å; A227-F229 HydrophobicContact CB-CE2 4.36Å; A227-F229 HydrophobicContact CB-CZ 4.43Å; A227-F229 WeakPolarHBondContact O-CD2 3.38Å; A227-F229 VanDerWaalsContact O-CE2 3.31Å; A227-F229 WeakPolarHBondContact O-CE2 2.99Å; A227-K270 WeakPolarHBondContact O-CA 3.39Å; A227-M271 PolarHBondContact N-O 3.41Å; A227-M271 PolarHBondContact O-N 3.45Å
228	N	98.8	Very high	97.7	Very high	60 Å²	60	23.4 Å²	23.4	32%	0.321	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	143.5	168	-60.9	77	0	0	0	110.2	L79 T80 Y81 T268	L79-N228 PolarHBondContact O-N 2.69Å; T80-N228 CarbonylContact C-O 3.59Å; T80-N228 VanDerWaalsContact CA-O 3.3Å; T80-N228 WeakPolarHBondContact CA-O 3.47Å; T80-N228 HydrophobicContact CG2-CB 4.23Å; Y81-N228 PolarHBondContact N-O 3.3Å; N228-T268 PolarHBondContact ND2-O 3.27Å
229	F	98.9	Very high	97.6	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.6	179.8	-62.6	-95.7	0	0	0	110.7	Y81 F217 A227 V231 P267 T268 M271 T273 L276	Y81-F229 HydrophobicContact CD1-CE1 4.4Å; Y81-F229 AromaticContact CD2-CD1 3.89Å; Y81-F229 HydrophobicContact CD2-CD1 3.89Å; Y81-F229 AromaticContact CD2-CE1 3.38Å; Y81-F229 HydrophobicContact CD2-CE1 3.38Å; Y81-F229 AromaticContact CD2-CZ 3.77Å; Y81-F229 HydrophobicContact CD2-CZ 3.77Å; Y81-F229 AromaticContact CE2-CE1 3.89Å; Y81-F229 HydrophobicContact CE2-CE1 3.89Å; Y81-F229 AromaticContact CE2-CZ 3.97Å; Y81-F229 HydrophobicContact CE2-CZ 3.97Å; Y81-F229 AromaticContact CG-CD1 3.92Å; Y81-F229 HydrophobicContact CG-CD1 3.92Å; Y81-F229 AromaticContact CG-CE1 3.67Å; Y81-F229 HydrophobicContact CG-CE1 3.67Å; Y81-F229 HydrophobicContact CG-CZ 4.49Å; F217-F229 HydrophobicContact CE2-CE1 4.28Å; F217-F229 HydrophobicContact CZ-CD1 4.46Å; F217-F229 AromaticContact CZ-CE1 3.97Å; F217-F229 HydrophobicContact CZ-CE1 3.97Å; A227-F229 HydrophobicContact CB-CE2 4.36Å; A227-F229 HydrophobicContact CB-CZ 4.43Å; A227-F229 WeakPolarHBondContact O-CD2 3.38Å; A227-F229 VanDerWaalsContact O-CE2 3.31Å; A227-F229 WeakPolarHBondContact O-CE2 2.99Å; F229-V231 HydrophobicContact CB-CG2 4.39Å; F229-P267 WeakPolarHBondContact O-CA 3.29Å; F229-T268 HydrophobicContact CB-CG2 4.05Å; F229-T268 PolarHBondContact N-OG1 3.25Å; F229-T268 PolarHBondContact O-N 2.91Å; F229-M271 HydrophobicContact CD2-CG 3.72Å; F229-M271 HydrophobicContact CD2-SD 4.33Å; F229-M271 HydrophobicContact CE2-CG 3.79Å; F229-T273 HydrophobicContact CE1-CG2 4.42Å; F229-T273 HydrophobicContact CZ-CG2 3.92Å; F229-L276 HydrophobicContact CB-CD1 3.74Å; F229-L276 HydrophobicContact CD1-CD1 3.97Å; F229-L276 HydrophobicContact CD1-CD2 4.02Å; F229-L276 HydrophobicContact CD2-CD1 4.2Å; F229-L276 HydrophobicContact CE1-CD2 4.36Å; F229-L276 HydrophobicContact CG-CD1 3.71Å
230	S	98.6	Very high	97.6	Very high	40 Å²	40	26.3 Å²	26.3	28%	0.28	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	111.7	167.5	-66.4	0	0	0	0	108.3	Y81 N82 V83	Y81-S230 PolarHBondContact O-N 3.09Å; N82-S230 WeakPolarHBondContact CA-O 3.4Å; N82-S230 WeakPolarHBondContact OD1-CB 3.09Å; V83-S230 PolarHBondContact N-O 2.92Å
231	V	98.6	Very high	97.5	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.024	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.8	-172.7	178.9	0	0	0	0	110.1	V83 F229 I233 F265 L276	V83-V231 WeakPolarHBondContact O-CA 3.34Å; F229-V231 HydrophobicContact CB-CG2 4.39Å; V231-I233 HydrophobicContact CG1-CD1 3.83Å; V231-I233 HydrophobicContact CG1-CG1 3.97Å; V231-F265 HydrophobicContact CB-CD2 4.33Å; V231-F265 HydrophobicContact CG1-CD2 4.21Å; V231-F265 PolarHBondContact O-N 3.37Å; V231-L276 HydrophobicContact CG2-CD1 4.07Å
232	T	98.8	Very high	97.5	Very high	36 Å²	36	26.9 Å²	26.9	22%	0.221	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	129.3	169	-62.3	0	0	0	0	109.2	V83 T84 L85 V262 T263	V83-T232 PolarHBondContact O-N 3.2Å; T84-T232 VanDerWaalsContact CA-O 3.25Å; T84-T232 WeakPolarHBondContact CA-O 3.23Å; T84-T232 HydrophobicContact CG2-CG2 4.21Å; L85-T232 PolarHBondContact N-O 2.8Å; T232-V262 HydrophobicContact CG2-CG1 3.56Å; T232-T263 WeakPolarHBondContact CA-O 3.43Å
233	I	98.7	Very high	97.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	126.2	178.6	-56.5	-62.6	0	0	0	109	L85 V231 A241 T263 F265 F278 V280	L85-I233 HydrophobicContact CB-CD1 3.95Å; L85-I233 HydrophobicContact CD1-CD1 4.41Å; V231-I233 HydrophobicContact CG1-CD1 3.83Å; V231-I233 HydrophobicContact CG1-CG1 3.97Å; I233-A241 HydrophobicContact CB-CB 3.85Å; I233-A241 HydrophobicContact CG2-CB 3.76Å; I233-T263 PolarHBondContact N-O 2.99Å; I233-T263 PolarHBondContact O-N 2.82Å; I233-F265 HydrophobicContact CB-CE2 4.19Å; I233-F265 HydrophobicContact CG1-CE2 3.8Å; I233-F278 HydrophobicContact CD1-CB 3.94Å; I233-F278 HydrophobicContact CD1-CG 4.26Å; I233-F278 HydrophobicContact CG1-CB 4.4Å; I233-V280 HydrophobicContact CG2-CG2 3.53Å
234	I	98.6	Very high	97.6	Very high	9 Å²	9	26.9 Å²	26.9	5%	0.046	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127.6	171.4	-53	175.5	0	0	0	107	T84 L85 W86 P87 V260 T261 V262	T84-I234 HydrophobicContact CG2-CD1 3.97Å; T84-I234 HydrophobicContact CG2-CG1 4.16Å; L85-I234 PolarHBondContact O-N 3.42Å; W86-I234 HydrophobicContact CB-CB 3.85Å; W86-I234 HydrophobicContact CB-CD1 4.36Å; W86-I234 HydrophobicContact CB-CG2 4.38Å; W86-I234 HydrophobicContact CD2-CB 4.37Å; W86-I234 HydrophobicContact CD2-CG2 3.91Å; W86-I234 HydrophobicContact CG-CB 3.77Å; W86-I234 HydrophobicContact CG-CG2 3.77Å; P87-I234 WeakPolarHBondContact CD-O 3.46Å; I234-V260 HydrophobicContact CG2-CB 3.77Å; I234-V260 HydrophobicContact CG2-CG1 4.08Å; I234-V260 HydrophobicContact CG2-CG2 3.71Å; I234-T261 WeakPolarHBondContact CA-O 3.27Å; I234-V262 HydrophobicContact CG1-CG1 4.4Å; I234-V262 HydrophobicContact CG1-CG2 4.27Å; I234-V262 HydrophobicContact CG2-CG2 4.47Å
235	H	97.8	Very high	97.5	Very high	6 Å²	6	25.4 Å²	25.4	3%	0.028	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	165.3	-177.3	63.7	87.3	0	0	0	113	T239 A241 V260 T261 T263 V280	H235-T239 PolarHBondContact CE1-O 3.01Å; H235-T239 PolarHBondContact ND1-O 3.1Å; H235-T239 PolarHBondContact ND1-OG1 3.49Å; H235-A241 VanDerWaalsContact CD2-CB 3.44Å; H235-A241 WeakPolarHBondContact CD2-CB 3.44Å; H235-V260 CarbonylContact O-C 3.53Å; H235-V260 VanDerWaalsContact O-CA 3.29Å; H235-V260 WeakPolarHBondContact O-CA 3.4Å; H235-V260 WeakPolarHBondContact O-CB 3.35Å; H235-T261 PolarHBondContact N-O 3.41Å; H235-T261 PolarHBondContact O-N 2.75Å; H235-T263 PolarHBondContact NE2-OG1 3.34Å; H235-T263 VanDerWaalsContact NE2-OG1 3.14Å; H235-V280 HydrophobicContact CB-CG1 3.54Å; H235-V280 HydrophobicContact CB-CG2 4.24Å
236	E	94.8	Very high	97.4	Very high	74 Å²	74	27.6 Å²	27.6	35%	0.346	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	148	178.4	-170.2	168.8	-174	0	0	110.5	K90 G238 T239	K90-E236 IonicContact NZ-OE1 3.09Å; K90-E236 PolarHBondContact NZ-OE1 2.91Å; K90-E236 IonicContact NZ-OE2 3.33Å; K90-E236 PolarHBondContact NZ-OE2 2.92Å; E236-G238 PolarHBondContact O-N 2.78Å; E236-T239 HydrophobicContact CB-CG2 4.38Å; E236-T239 PolarHBondContact O-N 3.02Å; E236-T239 PolarHBondContact O-OG1 2.81Å
237	R	92.6	Very high	97.3	Very high	112 Å²	112	31 Å²	31	42%	0.423	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	138.9	172.2	-81.4	-175.1	160.7	-177.9	-8.7	110.4	T239 D252	R237-T239 VanDerWaalsContact C-N 3.33Å; R237-D252 IonicContact CZ-OD1 3.54Å; R237-D252 IonicContact CZ-OD2 2.6Å; R237-D252 VanDerWaalsContact CZ-OD2 3.31Å; R237-D252 IonicContact NE-OD1 2.72Å; R237-D252 PolarHBondContact NE-OD1 3.49Å; R237-D252 IonicContact NE-OD2 3.63Å; R237-D252 PolarHBondContact NE-OD2 3.39Å; R237-D252 VanDerWaalsContact NH2-CB 3.27Å; R237-D252 IonicContact NH2-OD1 2.79Å; R237-D252 IonicContact NH2-OD2 2.97Å; R237-D252 PolarHBondContact NH2-OD2 2.9Å
238	G	90.2	Very high	97.2	Very high	71 Å²	71	36 Å²	36	73%	0.732	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	88.6	-5.9	-177.8	0	0	0	0	0	114.7	E236	E236-G238 PolarHBondContact O-N 2.78Å
239	T	96.5	Very high	96.9	Very high	14 Å²	14	37.6 Å²	37.6	9%	0.086	21%	0.21	C	C	.	.			trans	-97	166.7	165.2	71.4	0	0	0	0	110.7	L89 H235 E236 R237 V280 C281 E282	L89-T239 HydrophobicContact CD1-CG2 4.08Å; H235-T239 PolarHBondContact CE1-O 3.01Å; H235-T239 PolarHBondContact ND1-O 3.1Å; H235-T239 PolarHBondContact ND1-OG1 3.49Å; E236-T239 HydrophobicContact CB-CG2 4.38Å; E236-T239 PolarHBondContact O-N 3.02Å; E236-T239 PolarHBondContact O-OG1 2.81Å; R237-T239 VanDerWaalsContact C-N 3.33Å; T239-V280 WeakPolarHBondContact OG1-CG1 3.24Å; T239-C281 CarbonylContact C-O 3.55Å; T239-C281 VanDerWaalsContact CA-O 3.31Å; T239-C281 WeakPolarHBondContact CA-O 3.31Å; T239-C281 VanDerWaalsContact CB-O 3.3Å; T239-C281 WeakPolarHBondContact CB-O 3.46Å; T239-E282 HydrophobicContact CG2-CG 4.21Å
240	V	97.6	Very high	96.7	Very high	50 Å²	50	41.2 Å²	41.2	30%	0.303	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	149.9	169.5	-62.4	0	0	0	0	110	V280 C281 W298	V240-V280 WeakPolarHBondContact O-CA 3.45Å; V240-C281 WeakPolarHBondContact CG2-O 3.08Å; V240-C281 PolarHBondContact N-O 3Å; V240-C281 PolarHBondContact O-N 3.28Å; V240-C281 VanDerWaalsContact O-N 3.12Å; V240-W298 HydrophobicContact CG2-CZ3 3.93Å
241	A	98.5	Very high	96.5	Very high	10 Å²	10	41.9 Å²	41.9	8%	0.083	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	136	169.1	0	0	0	0	0	110.8	I233 H235 F265 V279 V280	I233-A241 HydrophobicContact CB-CB 3.85Å; I233-A241 HydrophobicContact CG2-CB 3.76Å; H235-A241 VanDerWaalsContact CD2-CB 3.44Å; H235-A241 WeakPolarHBondContact CD2-CB 3.44Å; A241-F265 HydrophobicContact CB-CZ 3.99Å; A241-F265 WeakPolarHBondContact O-CZ 3.38Å; A241-V279 CarbonylContact C-O 3.59Å; A241-V279 VanDerWaalsContact CA-O 3.29Å; A241-V279 WeakPolarHBondContact CA-O 3.39Å; A241-V280 HydrophobicContact CB-CG2 4.36Å
242	L	98.7	Very high	96.3	Very high	7 Å²	7	46 Å²	46	4%	0.037	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	149	175.9	-52.2	176.6	0	0	0	109.4	F278 V279 W298 I339 L354	L242-F278 CarbonylContact O-C 3.57Å; L242-F278 WeakPolarHBondContact O-CA 3.2Å; L242-V279 HydrophobicContact CB-CB 4.28Å; L242-V279 PolarHBondContact N-O 3.3Å; L242-V279 PolarHBondContact O-N 2.04Å; L242-W298 HydrophobicContact CD1-CD2 3.71Å; L242-W298 HydrophobicContact CD1-CE3 4.09Å; L242-W298 HydrophobicContact CD1-CG 3.93Å; L242-W298 HydrophobicContact CD1-CZ2 4.5Å; L242-W298 HydrophobicContact CD2-CD2 4.22Å; L242-W298 HydrophobicContact CD2-CE3 4.45Å; L242-W298 HydrophobicContact CD2-CH2 3.76Å; L242-W298 HydrophobicContact CD2-CZ2 3.48Å; L242-W298 VanDerWaalsContact CD2-CZ2 3.48Å; L242-W298 HydrophobicContact CD2-CZ3 4.25Å; L242-I339 HydrophobicContact CD1-CD1 3.92Å; L242-L354 HydrophobicContact CB-CD1 4.14Å; L242-L354 HydrophobicContact CB-CD2 3.72Å; L242-L354 HydrophobicContact CD1-CD1 4.14Å
243	S	98.6	Very high	96.1	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.014	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	-176.7	173.7	-171.9	0	0	0	0	110	A277 K335	S243-A277 WeakPolarHBondContact CA-O 3.33Å; S243-A277 PolarHBondContact OG-O 3.47Å; S243-K335 PolarHBondContact O-NZ 3.44Å
244	N	98.6	Very high	95.8	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.016	29%	0.294	C	S	.	.	S	Bend	trans	-57.8	-46.1	176.7	-63	89.8	0	0	0	113	T268 I275 L276 A277 K335 W352	N244-T268 HydrophobicContact CB-CG2 3.86Å; N244-I275 PolarHBondContact ND2-O 3.48Å; N244-L276 WeakPolarHBondContact OD1-CA 3.22Å; N244-L276 WeakPolarHBondContact OD1-CD1 3.34Å; N244-A277 PolarHBondContact OD1-N 3.44Å; N244-A277 PolarHBondContact OD1-O 2.91Å; N244-K335 WeakPolarHBondContact O-CE 3.33Å; N244-K335 PolarHBondContact O-NZ 2.93Å; N244-W352 WeakPolarHBondContact CA-O 3.31Å; N244-W352 VanDerWaalsContact CB-O 3.26Å; N244-W352 WeakPolarHBondContact CB-O 3.29Å; N244-W352 PolarHBondContact ND2-N 3Å; N244-W352 PolarHBondContact ND2-O 3.13Å
245	G	96.8	Very high	95.3	Very high	8 Å²	8	56.9 Å²	56.9	8%	0.082	31%	0.312	C	S	.	.	S	Bend	trans	-80	162.7	177.6	0	0	0	0	0	113	F265 K335	G245-F265 WeakPolarHBondContact O-CD1 3.32Å; G245-K335 VanDerWaalsContact C-CE 3.49Å; G245-K335 VanDerWaalsContact O-CE 3.27Å; G245-K335 WeakPolarHBondContact O-CE 3.42Å
246	K	96.8	Very high	94.7	Very high	70 Å²	70	62.7 Å²	62.7	30%	0.304	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-69.8	152.4	169	-169.3	-177.7	171.2	-173.9	0	110.1	F265 E266 L294 K335	K246-F265 CarbonylContact O-C 3.57Å; K246-F265 VanDerWaalsContact O-CA 3.26Å; K246-F265 WeakPolarHBondContact O-CA 3.45Å; K246-E266 HydrophobicContact CB-CG 4.18Å; K246-E266 PolarHBondContact O-N 3.29Å; K246-L294 HydrophobicContact CD-CD2 4.41Å; K246-K335 HydrophobicContact CB-CG 4.01Å
247	E	96.8	Very high	94.4	Very high	75 Å²	75	67 Å²	67	35%	0.35	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	139.4	169.7	16.7	60.8	-148.7	0	0	111.4	T263 R296	E247-T263 HydrophobicContact CB-CG2 4.23Å; E247-R296 IonicContact OE1-NH1 3.63Å; E247-R296 PolarHBondContact OE1-NH1 3.41Å; E247-R296 VanDerWaalsContact OE1-NH1 3.11Å
248	I	95.9	Very high	94.3	Very high	105 Å²	105	64.9 Å²	64.9	54%	0.538	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	-28.1	175.7	58	174.2	0	0	0	113.3	A264 E266	I248-A264 HydrophobicContact CD1-CB 4.45Å; I248-A264 HydrophobicContact CG1-CB 4.09Å; I248-A264 WeakPolarHBondContact CG1-O 3.4Å; I248-A264 PolarHBondContact N-O 3.35Å; I248-E266 HydrophobicContact CG2-CB 4.22Å; I248-E266 HydrophobicContact CG2-CG 3.26Å
249	D	92.8	Very high	94.4	Very high	94 Å²	94	66.6 Å²	66.6	50%	0.503	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	144.6	177.6	-174.7	29.7	0	0	0	109.5	T263 A264	D249-T263 WeakPolarHBondContact O-CA 3.36Å; D249-A264 HydrophobicContact CB-CB 4.33Å; D249-A264 PolarHBondContact N-O 2.96Å; D249-A264 PolarHBondContact O-N 2.9Å
250	S	93.6	Very high	94.4	Very high	75 Å²	75	65.9 Å²	65.9	52%	0.524	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	113.5	176.2	-170	0	0	0	0	108.8	T261 V262 T263	S250-T261 VanDerWaalsContact OG-CG2 3.27Å; S250-T261 WeakPolarHBondContact OG-CG2 3.22Å; S250-V262 WeakPolarHBondContact CA-O 3.42Å; S250-T263 PolarHBondContact OG-OG1 3.41Å
251	S	95.4	Very high	94.5	Very high	55 Å²	55	64.2 Å²	64.2	39%	0.385	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	142.8	-177.3	57.8	0	0	0	0	111.8	T261 V262	S251-T261 WeakPolarHBondContact O-CA 3.39Å; S251-V262 PolarHBondContact N-O 3.26Å; S251-V262 VanDerWaalsContact N-O 3.07Å; S251-V262 PolarHBondContact O-N 3.38Å
252	D	94.7	Very high	94.4	Very high	90 Å²	90	64.9 Å²	64.9	48%	0.481	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	140.5	174	-73.8	-44.2	0	0	0	111.1	R237 V260 T261	R237-D252 IonicContact CZ-OD1 3.54Å; R237-D252 IonicContact CZ-OD2 2.6Å; R237-D252 VanDerWaalsContact CZ-OD2 3.31Å; R237-D252 IonicContact NE-OD1 2.72Å; R237-D252 PolarHBondContact NE-OD1 3.49Å; R237-D252 IonicContact NE-OD2 3.63Å; R237-D252 PolarHBondContact NE-OD2 3.39Å; R237-D252 VanDerWaalsContact NH2-CB 3.27Å; R237-D252 IonicContact NH2-OD1 2.79Å; R237-D252 IonicContact NH2-OD2 2.97Å; R237-D252 PolarHBondContact NH2-OD2 2.9Å; D252-V260 CarbonylContact C-O 3.36Å; D252-V260 WeakPolarHBondContact CA-O 3.3Å; D252-T261 PolarHBondContact OD1-OG1 3.2Å
253	S	94.2	Very high	94.4	Very high	42 Å²	42	65 Å²	65	29%	0.294	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	168.1	-178.5	-164.5	0	0	0	0	111.1	V260	S253-V260 PolarHBondContact N-O 3.44Å; S253-V260 PolarHBondContact O-N 2.89Å
254	I	91.8	Very high	94.4	Very high	116 Å²	116	65.9 Å²	65.9	60%	0.595	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	118.7	169.4	-60	175.5	0	0	0	107.2	V258 Q259	I254-V258 WeakPolarHBondContact CA-O 3.35Å; I254-Q259 HydrophobicContact CG1-CG 4.42Å
255	R	89	Confident	94.4	Very high	116 Å²	116	66.1 Å²	66.1	44%	0.438	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	128	178.2	-67.1	-79.1	-174.4	155	0.7	108	W86 N257 V258 V260	W86-R255 HydrophobicContact CH2-CB 3.75Å; W86-R255 WeakPolarHBondContact CH2-O 3.46Å; W86-R255 HydrophobicContact CZ2-CB 4.46Å; W86-R255 HydrophobicContact CZ3-CB 3.79Å; R255-N257 PolarHBondContact O-N 2.91Å; R255-V258 PolarHBondContact N-O 2.71Å; R255-V258 WeakPolarHBondContact O-CA 3.42Å; R255-V258 WeakPolarHBondContact O-CB 3.4Å; R255-V258 PolarHBondContact O-N 3.18Å; R255-V260 HydrophobicContact CB-CG2 3.95Å; R255-V260 HydrophobicContact CG-CG2 3.66Å
256	D	85.3	Confident	94.5	Very high	127 Å²	127	69 Å²	69	68%	0.679	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	42.1	-177.5	-54.5	-19.5	0	0	0	113.5	W86 V258	W86-D256 HydrophobicContact CH2-CB 4.09Å; W86-D256 HydrophobicContact CZ3-CB 4.29Å; W86-D256 VanDerWaalsContact CZ3-OD2 3.29Å; W86-D256 WeakPolarHBondContact CZ3-OD2 3.28Å; D256-V258 PolarHBondContact O-N 2.87Å
257	N	88.3	Confident	94.6	Very high	164 Å²	164	69.4 Å²	69.4	88%	0.877	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	14.6	-174.2	-60.5	-33	0	0	0	115.7	R255	R255-N257 PolarHBondContact O-N 2.91Å
258	V	89.4	Confident	94.6	Very high	68 Å²	68	66.1 Å²	66.1	41%	0.412	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	132.7	174.6	-175.3	0	0	0	0	109.5	W86 I254 R255 D256 V260	W86-V258 HydrophobicContact CH2-CB 4.5Å; W86-V258 HydrophobicContact CZ2-CB 4.3Å; I254-V258 WeakPolarHBondContact CA-O 3.35Å; R255-V258 PolarHBondContact N-O 2.71Å; R255-V258 WeakPolarHBondContact O-CA 3.42Å; R255-V258 WeakPolarHBondContact O-CB 3.4Å; R255-V258 PolarHBondContact O-N 3.18Å; D256-V258 PolarHBondContact O-N 2.87Å; V258-V260 HydrophobicContact CB-CG1 4.34Å; V258-V260 HydrophobicContact CG1-CG1 3.99Å; V258-V260 PolarHBondContact O-N 3.39Å
259	Q	93.8	Very high	94.7	Very high	107 Å²	107	62.5 Å²	62.5	50%	0.5	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	122.6	169.3	-68.9	-174.4	-3.4	0	0	109.5	I254	I254-Q259 HydrophobicContact CG1-CG 4.42Å
260	V	96.9	Very high	95	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	160.1	-176.1	-64.6	0	0	0	0	110.2	W86 I234 H235 D252 S253 R255 V258	W86-V260 HydrophobicContact CH2-CG1 4.49Å; W86-V260 HydrophobicContact CZ2-CG1 3.64Å; I234-V260 HydrophobicContact CG2-CB 3.77Å; I234-V260 HydrophobicContact CG2-CG1 4.08Å; I234-V260 HydrophobicContact CG2-CG2 3.71Å; H235-V260 CarbonylContact O-C 3.53Å; H235-V260 VanDerWaalsContact O-CA 3.29Å; H235-V260 WeakPolarHBondContact O-CA 3.4Å; H235-V260 WeakPolarHBondContact O-CB 3.35Å; D252-V260 CarbonylContact C-O 3.36Å; D252-V260 WeakPolarHBondContact CA-O 3.3Å; S253-V260 PolarHBondContact N-O 3.44Å; S253-V260 PolarHBondContact O-N 2.89Å; R255-V260 HydrophobicContact CB-CG2 3.95Å; R255-V260 HydrophobicContact CG-CG2 3.66Å; V258-V260 HydrophobicContact CB-CG1 4.34Å; V258-V260 HydrophobicContact CG1-CG1 3.99Å; V258-V260 PolarHBondContact O-N 3.39Å
261	T	97.8	Very high	95.3	Very high	15 Å²	15	58.8 Å²	58.8	9%	0.092	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	135.9	166.5	-55.1	0	0	0	0	108.1	I234 H235 S250 S251 D252	I234-T261 WeakPolarHBondContact CA-O 3.27Å; H235-T261 PolarHBondContact N-O 3.41Å; H235-T261 PolarHBondContact O-N 2.75Å; S250-T261 VanDerWaalsContact OG-CG2 3.27Å; S250-T261 WeakPolarHBondContact OG-CG2 3.22Å; S251-T261 WeakPolarHBondContact O-CA 3.39Å; D252-T261 PolarHBondContact OD1-OG1 3.2Å
262	V	98.1	Very high	95.4	Very high	24 Å²	24	56.2 Å²	56.2	15%	0.145	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	113.5	177.3	-175.4	0	0	0	0	107.5	T232 I234 S250 S251	T232-V262 HydrophobicContact CG2-CG1 3.56Å; I234-V262 HydrophobicContact CG1-CG1 4.4Å; I234-V262 HydrophobicContact CG1-CG2 4.27Å; I234-V262 HydrophobicContact CG2-CG2 4.47Å; S250-V262 WeakPolarHBondContact CA-O 3.42Å; S251-V262 PolarHBondContact N-O 3.26Å; S251-V262 VanDerWaalsContact N-O 3.07Å; S251-V262 PolarHBondContact O-N 3.38Å
263	T	98.6	Very high	95.6	Very high	8 Å²	8	52 Å²	52	5%	0.049	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.5	179.7	-56.7	0	0	0	0	110.2	T232 I233 H235 E247 D249 S250 F265	T232-T263 WeakPolarHBondContact CA-O 3.43Å; I233-T263 PolarHBondContact N-O 2.99Å; I233-T263 PolarHBondContact O-N 2.82Å; H235-T263 PolarHBondContact NE2-OG1 3.34Å; H235-T263 VanDerWaalsContact NE2-OG1 3.14Å; E247-T263 HydrophobicContact CB-CG2 4.23Å; D249-T263 WeakPolarHBondContact O-CA 3.36Å; S250-T263 PolarHBondContact OG-OG1 3.41Å; T263-F265 HydrophobicContact CG2-CE1 4.05Å; T263-F265 HydrophobicContact CG2-CE2 4Å; T263-F265 HydrophobicContact CG2-CZ 3.66Å
264	A	98.4	Very high	95.8	Very high	21 Å²	21	50 Å²	50	17%	0.174	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	147.2	173	0	0	0	0	0	110.3	I248 D249	I248-A264 HydrophobicContact CD1-CB 4.45Å; I248-A264 HydrophobicContact CG1-CB 4.09Å; I248-A264 WeakPolarHBondContact CG1-O 3.4Å; I248-A264 PolarHBondContact N-O 3.35Å; D249-A264 HydrophobicContact CB-CB 4.33Å; D249-A264 PolarHBondContact N-O 2.96Å; D249-A264 PolarHBondContact O-N 2.9Å
265	F	98.6	Very high	96.1	Very high	8 Å²	8	44.5 Å²	44.5	4%	0.035	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	155.4	-177	-59.3	-88.7	0	0	0	111.9	V231 I233 A241 G245 K246 T263	V231-F265 HydrophobicContact CB-CD2 4.33Å; V231-F265 HydrophobicContact CG1-CD2 4.21Å; V231-F265 PolarHBondContact O-N 3.37Å; I233-F265 HydrophobicContact CB-CE2 4.19Å; I233-F265 HydrophobicContact CG1-CE2 3.8Å; A241-F265 HydrophobicContact CB-CZ 3.99Å; A241-F265 WeakPolarHBondContact O-CZ 3.38Å; G245-F265 WeakPolarHBondContact O-CD1 3.32Å; K246-F265 CarbonylContact O-C 3.57Å; K246-F265 VanDerWaalsContact O-CA 3.26Å; K246-F265 WeakPolarHBondContact O-CA 3.45Å; T263-F265 HydrophobicContact CG2-CE1 4.05Å; T263-F265 HydrophobicContact CG2-CE2 4Å; T263-F265 HydrophobicContact CG2-CZ 3.66Å
266	E	98.2	Very high	96.6	Very high	68 Å²	68	39 Å²	39	32%	0.318	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-51.1	134.1	169.1	-68.1	-179.5	168.4	0	0	110	K246 I248 T268 S334	K246-E266 HydrophobicContact CB-CG 4.18Å; K246-E266 PolarHBondContact O-N 3.29Å; I248-E266 HydrophobicContact CG2-CB 4.22Å; I248-E266 HydrophobicContact CG2-CG 3.26Å; E266-T268 PolarHBondContact O-N 3.07Å; E266-S334 PolarHBondContact OE2-OG 2.75Å
267	P	98.2	Very high	97.2	Very high	80 Å²	80	33 Å²	33	52%	0.519	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-58.2	137	173.5	-23.6	33.5	0	0	0	111.2	F229	F229-P267 WeakPolarHBondContact O-CA 3.29Å
268	T	98.5	Very high	97.6	Very high	6 Å²	6	25.2 Å²	25.2	4%	0.037	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-69.2	155.5	177.7	72.8	0	0	0	0	111	N228 F229 N244 E266 M271	N228-T268 PolarHBondContact ND2-O 3.27Å; F229-T268 HydrophobicContact CB-CG2 4.05Å; F229-T268 PolarHBondContact N-OG1 3.25Å; F229-T268 PolarHBondContact O-N 2.91Å; N244-T268 HydrophobicContact CB-CG2 3.86Å; E266-T268 PolarHBondContact O-N 3.07Å; T268-M271 WeakPolarHBondContact CB-SD 3.49Å; T268-M271 HydrophobicContact CG2-SD 3.66Å
269	P	98.1	Very high	98.1	Very high	29 Å²	29	22 Å²	22	19%	0.188	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-56.9	170.2	155.2	-20.6	33.3	0	0	0	111.3	M271 L333 W352 Y504	P269-M271 PolarHBondContact O-N 3.03Å; P269-M271 VanDerWaalsContact O-N 3.16Å; P269-L333 HydrophobicContact CG-CD2 3.51Å; P269-W352 HydrophobicContact CB-CH2 4.49Å; P269-W352 HydrophobicContact CB-CZ3 4.34Å; P269-Y504 HydrophobicContact CB-CD1 4.04Å; P269-Y504 HydrophobicContact CB-CE1 3.61Å; P269-Y504 HydrophobicContact CG-CE1 4.43Å
270	K	98.4	Very high	98.3	Very high	90 Å²	90	17 Å²	17	39%	0.391	10%	0.095	S	C	.	.	S	Bend	trans	-64.7	116.9	175.9	-177.8	179.7	-176.7	-150.3	0	109.5	K226 A227	K226-K270 HydrophobicContact CB-CD 4.31Å; K226-K270 HydrophobicContact CB-CG 3.7Å; K226-K270 VanDerWaalsContact O-CE 3.26Å; K226-K270 WeakPolarHBondContact O-CE 3.31Å; A227-K270 WeakPolarHBondContact O-CA 3.39Å
271	M	98.7	Very high	98.3	Very high	1 Å²	1	17 Å²	17	1%	0.005	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-145.5	165.4	-172.6	68.4	-175.9	-95.8	0	0	111.8	K226 A227 F229 T268 P269 I275 L276 W352	K226-M271 CarbonylContact C-O 3.58Å; K226-M271 WeakPolarHBondContact CA-O 3.39Å; K226-M271 WeakPolarHBondContact CB-O 3.47Å; A227-M271 PolarHBondContact N-O 3.41Å; A227-M271 PolarHBondContact O-N 3.45Å; F229-M271 HydrophobicContact CD2-CG 3.72Å; F229-M271 HydrophobicContact CD2-SD 4.33Å; F229-M271 HydrophobicContact CE2-CG 3.79Å; T268-M271 WeakPolarHBondContact CB-SD 3.49Å; T268-M271 HydrophobicContact CG2-SD 3.66Å; P269-M271 PolarHBondContact O-N 3.03Å; P269-M271 VanDerWaalsContact O-N 3.16Å; M271-I275 HydrophobicContact CB-CD1 3.78Å; M271-I275 HydrophobicContact CB-CG1 4.38Å; M271-I275 HydrophobicContact CE-CB 4.06Å; M271-I275 HydrophobicContact CE-CD1 3.97Å; M271-I275 HydrophobicContact CE-CG1 3.59Å; M271-I275 WeakPolarHBondContact CE-O 3.35Å; M271-I275 HydrophobicContact CG-CD1 4.49Å; M271-L276 HydrophobicContact CE-CB 4.37Å; M271-L276 HydrophobicContact CE-CD1 4.35Å; M271-W352 HydrophobicContact CB-CE3 3.65Å; M271-W352 HydrophobicContact CB-CZ3 3.78Å; M271-W352 HydrophobicContact CE-CB 4.43Å; M271-W352 HydrophobicContact SD-CE3 4.27Å
272	S	98.8	Very high	98.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.105	C	C	.	.			trans	-80.3	157	178.6	-54.2	0	0	0	0	111.2	P223 K226 Y274 I275	P223-S272 PolarHBondContact O-OG 3.46Å; K226-S272 WeakPolarHBondContact CE-OG 3.29Å; K226-S272 WeakPolarHBondContact CG-OG 3.43Å; S272-Y274 VanDerWaalsContact C-N 3.32Å; S272-Y274 VanDerWaalsContact CB-CD1 3.48Å; S272-Y274 PolarHBondContact O-N 2.85Å; S272-I275 WeakPolarHBondContact O-CG1 3.35Å
273	T	98.8	Very high	98.2	Very high	2 Å²	2	18.7 Å²	18.7	1%	0.012	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-62.4	-34.8	179.7	48.3	0	0	0	0	113.4	C219 D221 F229 I275 L276	C219-T273 HydrophobicContact CB-CG2 4.01Å; D221-T273 WeakPolarHBondContact OD1-CB 3.3Å; D221-T273 PolarHBondContact OD1-OG1 3Å; F229-T273 HydrophobicContact CE1-CG2 4.42Å; F229-T273 HydrophobicContact CZ-CG2 3.92Å; T273-I275 PolarHBondContact O-N 2.98Å; T273-L276 WeakPolarHBondContact O-CB 3.33Å; T273-L276 PolarHBondContact O-N 3.47Å
274	Y	98.4	Very high	98.2	Very high	1 Å²	1	19 Å²	19	0%	0.004	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-68.7	-13.5	-174.2	85.7	-82.1	0	0	0	114.9	M208 Q209 S272 M349 E350 G391 T395 W399 N405	M208-Y274 WeakPolarHBondContact CB-O 3.4Å; Q209-Y274 HydrophobicContact CB-CD2 3.97Å; Q209-Y274 HydrophobicContact CG-CD2 3.81Å; Q209-Y274 HydrophobicContact CG-CE2 4.37Å; S272-Y274 VanDerWaalsContact C-N 3.32Å; S272-Y274 VanDerWaalsContact CB-CD1 3.48Å; S272-Y274 PolarHBondContact O-N 2.85Å; Y274-M349 HydrophobicContact CD2-CE 3.8Å; Y274-M349 HydrophobicContact CE2-CE 3.96Å; Y274-E350 WeakPolarHBondContact CE2-OE1 3.1Å; Y274-G391 PolarHBondContact OH-O 3.47Å; Y274-T395 HydrophobicContact CE1-CG2 3.91Å; Y274-W399 HydrophobicContact CD1-CH2 4.13Å; Y274-W399 AromaticContact CD2-CH2 3.93Å; Y274-W399 HydrophobicContact CD2-CH2 3.93Å; Y274-W399 HydrophobicContact CE1-CH2 4.48Å; Y274-W399 HydrophobicContact CE2-CH2 4.24Å; Y274-W399 AromaticContact CG-CH2 3.86Å; Y274-W399 HydrophobicContact CG-CH2 3.86Å; Y274-W399 HydrophobicContact CG-CZ2 4.37Å; Y274-N405 PolarHBondContact OH-ND2 2.88Å
275	I	98.5	Very high	98.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-106.3	7.4	178.8	46.4	164.9	0	0	0	112.8	N244 M271 S272 T273 M349 E350 N351 W352 N392	N244-I275 PolarHBondContact ND2-O 3.48Å; M271-I275 HydrophobicContact CB-CD1 3.78Å; M271-I275 HydrophobicContact CB-CG1 4.38Å; M271-I275 HydrophobicContact CE-CB 4.06Å; M271-I275 HydrophobicContact CE-CD1 3.97Å; M271-I275 HydrophobicContact CE-CG1 3.59Å; M271-I275 WeakPolarHBondContact CE-O 3.35Å; M271-I275 HydrophobicContact CG-CD1 4.49Å; S272-I275 WeakPolarHBondContact O-CG1 3.35Å; T273-I275 PolarHBondContact O-N 2.98Å; I275-M349 HydrophobicContact CG2-CE 3.95Å; I275-E350 HydrophobicContact CG2-CG 4.27Å; I275-N351 WeakPolarHBondContact O-CB 3.38Å; I275-W352 HydrophobicContact CD1-CB 4.23Å; I275-W352 HydrophobicContact CD1-CE3 4.06Å; I275-W352 PolarHBondContact O-N 2.83Å; I275-N392 HydrophobicContact CD1-CB 4.1Å; I275-N392 WeakPolarHBondContact CG2-OD1 3.31Å
276	L	98.6	Very high	98.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.			trans	-73.7	133.1	170.1	-166.6	75.9	0	0	0	109.6	M208 F217 F229 V231 N244 M271 T273 F278	M208-L276 WeakPolarHBondContact CG-O 3.2Å; F217-L276 HydrophobicContact CE1-CD2 3.54Å; F217-L276 HydrophobicContact CZ-CD2 3.69Å; F229-L276 HydrophobicContact CB-CD1 3.74Å; F229-L276 HydrophobicContact CD1-CD1 3.97Å; F229-L276 HydrophobicContact CD1-CD2 4.02Å; F229-L276 HydrophobicContact CD2-CD1 4.2Å; F229-L276 HydrophobicContact CE1-CD2 4.36Å; F229-L276 HydrophobicContact CG-CD1 3.71Å; V231-L276 HydrophobicContact CG2-CD1 4.07Å; N244-L276 WeakPolarHBondContact OD1-CA 3.22Å; N244-L276 WeakPolarHBondContact OD1-CD1 3.34Å; M271-L276 HydrophobicContact CE-CB 4.37Å; M271-L276 HydrophobicContact CE-CD1 4.35Å; T273-L276 WeakPolarHBondContact O-CB 3.33Å; T273-L276 PolarHBondContact O-N 3.47Å; L276-F278 HydrophobicContact CD2-CE1 4.35Å
277	A	98.4	Very high	98.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.			trans	-137.7	150.7	178.6	0	0	0	0	0	113.3	S206 S243 N244 N351 L354	S206-A277 WeakPolarHBondContact OG-CA 3.42Å; S206-A277 WeakPolarHBondContact OG-CB 3.44Å; S243-A277 WeakPolarHBondContact CA-O 3.33Å; S243-A277 PolarHBondContact OG-O 3.47Å; N244-A277 PolarHBondContact OD1-N 3.44Å; N244-A277 PolarHBondContact OD1-O 2.91Å; A277-N351 HydrophobicContact CB-CB 3.41Å; A277-N351 VanDerWaalsContact CB-CB 3.41Å; A277-L354 HydrophobicContact CB-CB 4.47Å; A277-L354 HydrophobicContact CB-CD2 4.18Å; A277-L354 HydrophobicContact CB-CG 4.47Å
278	F	97	Very high	97.7	Very high	1 Å²	1	22.4 Å²	22.4	0%	0.004	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	142.8	171	36.8	-101.9	0	0	0	111	L85 F189 T205 S206 M208 A216 I233 L242 L276	L85-F278 HydrophobicContact CD1-CD1 3.9Å; L85-F278 HydrophobicContact CD1-CD2 4.18Å; L85-F278 HydrophobicContact CD1-CE1 3.44Å; L85-F278 VanDerWaalsContact CD1-CE1 3.44Å; L85-F278 HydrophobicContact CD1-CE2 3.79Å; L85-F278 HydrophobicContact CD1-CG 4.23Å; L85-F278 HydrophobicContact CD1-CZ 3.36Å; F189-F278 HydrophobicContact CB-CE2 3.74Å; F189-F278 HydrophobicContact CB-CZ 4.21Å; F189-F278 HydrophobicContact CD1-CD2 4.41Å; F189-F278 AromaticContact CD1-CE2 3.75Å; F189-F278 HydrophobicContact CD1-CE2 3.75Å; F189-F278 HydrophobicContact CD1-CZ 4.42Å; F189-F278 AromaticContact CD2-CD2 3.71Å; F189-F278 HydrophobicContact CD2-CD2 3.71Å; F189-F278 AromaticContact CD2-CE2 3.3Å; F189-F278 HydrophobicContact CD2-CE2 3.3Å; F189-F278 HydrophobicContact CD2-CZ 4.48Å; F189-F278 HydrophobicContact CE1-CD2 4.22Å; F189-F278 HydrophobicContact CE1-CE2 4Å; F189-F278 AromaticContact CE2-CD2 3.43Å; F189-F278 HydrophobicContact CE2-CD2 3.43Å; F189-F278 VanDerWaalsContact CE2-CD2 3.43Å; F189-F278 AromaticContact CE2-CE2 3.54Å; F189-F278 HydrophobicContact CE2-CE2 3.54Å; F189-F278 HydrophobicContact CG-CD2 4.15Å; F189-F278 AromaticContact CG-CE2 3.36Å; F189-F278 HydrophobicContact CG-CE2 3.36Å; F189-F278 HydrophobicContact CG-CZ 4.19Å; F189-F278 AromaticContact CZ-CD2 3.7Å; F189-F278 HydrophobicContact CZ-CD2 3.7Å; F189-F278 AromaticContact CZ-CE2 3.87Å; F189-F278 HydrophobicContact CZ-CE2 3.87Å; T205-F278 WeakPolarHBondContact CA-O 3.46Å; S206-F278 PolarHBondContact N-O 3.42Å; S206-F278 PolarHBondContact OG-N 2.84Å; S206-F278 PolarHBondContact OG-O 3.46Å; M208-F278 HydrophobicContact CE-CD1 4.41Å; M208-F278 HydrophobicContact CE-CE1 3.45Å; M208-F278 VanDerWaalsContact CE-CE1 3.45Å; M208-F278 HydrophobicContact CE-CE2 3.8Å; M208-F278 HydrophobicContact CE-CZ 3.09Å; A216-F278 HydrophobicContact CB-CZ 3.78Å; I233-F278 HydrophobicContact CD1-CB 3.94Å; I233-F278 HydrophobicContact CD1-CG 4.26Å; I233-F278 HydrophobicContact CG1-CB 4.4Å; L242-F278 CarbonylContact O-C 3.57Å; L242-F278 WeakPolarHBondContact O-CA 3.2Å; L276-F278 HydrophobicContact CD2-CE1 4.35Å
279	V	98.6	Very high	96.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	137.4	178.2	-175.1	0	0	0	0	110.2	V203 A204 T205 A241 L242 C281 I339 L354	V203-V279 HydrophobicContact CG1-CG1 3.75Å; A204-V279 CarbonylContact O-C 3.5Å; A204-V279 VanDerWaalsContact O-CA 3.29Å; A204-V279 WeakPolarHBondContact O-CA 3.28Å; T205-V279 WeakPolarHBondContact OG1-CG2 3.4Å; A241-V279 CarbonylContact C-O 3.59Å; A241-V279 VanDerWaalsContact CA-O 3.29Å; A241-V279 WeakPolarHBondContact CA-O 3.39Å; L242-V279 HydrophobicContact CB-CB 4.28Å; L242-V279 PolarHBondContact N-O 3.3Å; L242-V279 PolarHBondContact O-N 2.04Å; V279-C281 HydrophobicContact CG1-CB 4.23Å; V279-I339 HydrophobicContact CB-CD1 4.42Å; V279-I339 HydrophobicContact CG1-CD1 3.87Å; V279-I339 HydrophobicContact CG2-CD1 4.42Å; V279-L354 HydrophobicContact CG2-CD2 4.16Å
280	V	98.8	Very high	95.3	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.012	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118	168.7	-175.9	0	0	0	0	109.3	P87 L89 A204 I233 H235 T239 V240 A241	P87-V280 HydrophobicContact CG-CB 4.17Å; P87-V280 HydrophobicContact CG-CG2 3.69Å; L89-V280 HydrophobicContact CD1-CG1 4.09Å; A204-V280 HydrophobicContact CB-CB 4.3Å; A204-V280 PolarHBondContact N-O 2.89Å; A204-V280 PolarHBondContact O-N 2.93Å; I233-V280 HydrophobicContact CG2-CG2 3.53Å; H235-V280 HydrophobicContact CB-CG1 3.54Å; H235-V280 HydrophobicContact CB-CG2 4.24Å; T239-V280 WeakPolarHBondContact OG1-CG1 3.24Å; V240-V280 WeakPolarHBondContact O-CA 3.45Å; A241-V280 HydrophobicContact CB-CG2 4.36Å
281	C	97.4	Very high	93.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	177.1	-172.3	64	0	0	0	0	113.2	V203 T239 V240 V279 F283	V203-C281 HydrophobicContact CB-CB 4.3Å; V203-C281 HydrophobicContact CG1-CB 3.87Å; V203-C281 HydrophobicContact CG2-CB 3.72Å; T239-C281 CarbonylContact C-O 3.55Å; T239-C281 VanDerWaalsContact CA-O 3.31Å; T239-C281 WeakPolarHBondContact CA-O 3.31Å; T239-C281 VanDerWaalsContact CB-O 3.3Å; T239-C281 WeakPolarHBondContact CB-O 3.46Å; V240-C281 WeakPolarHBondContact CG2-O 3.08Å; V240-C281 PolarHBondContact N-O 3Å; V240-C281 PolarHBondContact O-N 3.28Å; V240-C281 VanDerWaalsContact O-N 3.12Å; V279-C281 HydrophobicContact CG1-CB 4.23Å; C281-F283 HydrophobicContact CB-CD1 4.07Å; C281-F283 HydrophobicContact CB-CE1 4.45Å; C281-F283 HydrophobicContact CB-CG 4.14Å; C281-F283 VanDerWaalsContact SG-CB 3.58Å
282	E	96.5	Very high	93	Very high	68 Å²	68	40.7 Å²	40.7	32%	0.318	21%	0.213	S	C	.	.			trans	-103.7	21.5	172.6	-63	-177.6	-163.9	0	0	112.7	K201 T239 K301	K201-E282 WeakPolarHBondContact CE-OE2 3.37Å; K201-E282 IonicContact NZ-OE1 3.24Å; K201-E282 PolarHBondContact NZ-OE1 3.4Å; K201-E282 IonicContact NZ-OE2 3.15Å; K201-E282 PolarHBondContact NZ-OE2 3.27Å; T239-E282 HydrophobicContact CG2-CG 4.21Å; E282-K301 WeakPolarHBondContact O-CE 3.32Å
283	F	97.4	Very high	92.7	Very high	7 Å²	7	42.4 Å²	42.4	3%	0.031	22%	0.222	C	C	.	.			trans	-69.9	161	-174.3	-73	8.6	0	0	0	112.7	Y194 V203 C281 W298 A299 R300 I339 A340 P342	Y194-F283 AromaticContact CE1-CE1 3.89Å; Y194-F283 HydrophobicContact CE1-CE1 3.89Å; Y194-F283 AromaticContact CZ-CE1 3.84Å; V203-F283 HydrophobicContact CG2-CE1 3.85Å; V203-F283 HydrophobicContact CG2-CZ 3.91Å; C281-F283 HydrophobicContact CB-CD1 4.07Å; C281-F283 HydrophobicContact CB-CE1 4.45Å; C281-F283 HydrophobicContact CB-CG 4.14Å; C281-F283 VanDerWaalsContact SG-CB 3.58Å; F283-W298 HydrophobicContact CB-CE3 4.41Å; F283-A299 WeakPolarHBondContact CB-O 3.45Å; F283-A299 WeakPolarHBondContact CG-O 3.42Å; F283-R300 HydrophobicContact CD1-CG 4.22Å; F283-R300 HydrophobicContact CE1-CG 3.6Å; F283-R300 HydrophobicContact CZ-CG 3.88Å; F283-I339 HydrophobicContact CD2-CD1 3.77Å; F283-I339 HydrophobicContact CD2-CG1 3.98Å; F283-I339 HydrophobicContact CE2-CD1 4.11Å; F283-I339 HydrophobicContact CE2-CG1 4.12Å; F283-A340 VanDerWaalsContact CE2-O 3.23Å; F283-A340 WeakPolarHBondContact CE2-O 3.38Å; F283-P342 HydrophobicContact CZ-CG 4.23Å
284	G	97.7	Very high	92.6	Very high	15 Å²	15	44.1 Å²	44.1	16%	0.155	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	180	166.8	0	0	0	0	0	110.7	W298 A299 L304	G284-W298 WeakPolarHBondContact O-CA 3.2Å; G284-W298 VanDerWaalsContact O-CE3 3.32Å; G284-A299 PolarHBondContact N-O 2.97Å; G284-A299 PolarHBondContact O-N 3.31Å; G284-L304 VanDerWaalsContact O-CD1 3.29Å; G284-L304 WeakPolarHBondContact O-CD1 3.24Å
285	Y	98.2	Very high	92.6	Very high	107 Å²	107	44.1 Å²	44.1	42%	0.42	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	156.6	170.9	67.8	-86.5	0	0	0	112.4	Q287 R296 I297 W298	Y285-Q287 HydrophobicContact CD2-CB 4.24Å; Y285-Q287 HydrophobicContact CE2-CB 4.25Å; Y285-Q287 HydrophobicContact CE2-CG 4.38Å; Y285-R296 HydrophobicContact CD2-CB 4.19Å; Y285-R296 HydrophobicContact CD2-CG 3.98Å; Y285-R296 HydrophobicContact CE2-CG 4.39Å; Y285-I297 WeakPolarHBondContact CA-O 3.36Å; Y285-I297 WeakPolarHBondContact CB-O 3.49Å; Y285-W298 HydrophobicContact CD1-CD2 4.46Å; Y285-W298 HydrophobicContact CD1-CE3 4.17Å; Y285-W298 AromaticContact CD1-CH2 3.23Å; Y285-W298 HydrophobicContact CD1-CH2 3.23Å; Y285-W298 AromaticContact CD1-CZ2 3.56Å; Y285-W298 HydrophobicContact CD1-CZ2 3.56Å; Y285-W298 AromaticContact CD1-CZ3 3.56Å; Y285-W298 HydrophobicContact CD1-CZ3 3.56Å; Y285-W298 AromaticContact CE1-CH2 3.84Å; Y285-W298 HydrophobicContact CE1-CH2 3.84Å; Y285-W298 HydrophobicContact CE1-CZ2 4.22Å; Y285-W298 HydrophobicContact CE1-CZ3 4.47Å; Y285-W298 HydrophobicContact CG-CD2 4.38Å; Y285-W298 HydrophobicContact CG-CE3 4.44Å; Y285-W298 AromaticContact CG-CH2 3.99Å; Y285-W298 HydrophobicContact CG-CH2 3.99Å; Y285-W298 AromaticContact CG-CZ2 3.89Å; Y285-W298 HydrophobicContact CG-CZ2 3.89Å; Y285-W298 HydrophobicContact CG-CZ3 4.26Å
286	I	97.9	Very high	92.6	Very high	36 Å²	36	44.9 Å²	44.9	19%	0.185	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	154.4	160.5	58.9	172.9	0	0	0	108.6	R296 I297 L304 G309 L313	I286-R296 CarbonylContact O-C 3.47Å; I286-R296 VanDerWaalsContact O-CA 3.27Å; I286-R296 WeakPolarHBondContact O-CA 3.35Å; I286-I297 HydrophobicContact CD1-CB 4.31Å; I286-I297 HydrophobicContact CG1-CB 3.83Å; I286-I297 HydrophobicContact CG1-CG1 4.38Å; I286-I297 PolarHBondContact N-O 3.3Å; I286-I297 PolarHBondContact O-N 2.94Å; I286-L304 HydrophobicContact CG1-CD2 4.36Å; I286-L304 HydrophobicContact CG2-CD2 4.37Å; I286-G309 VanDerWaalsContact CD1-C 3.4Å; I286-G309 WeakPolarHBondContact CD1-O 3.35Å; I286-L313 HydrophobicContact CB-CD2 4.3Å; I286-L313 HydrophobicContact CD1-CB 3.94Å; I286-L313 HydrophobicContact CD1-CD2 3.87Å; I286-L313 HydrophobicContact CD1-CG 4.48Å; I286-L313 HydrophobicContact CG1-CB 4.49Å; I286-L313 HydrophobicContact CG1-CD2 4.03Å
287	Q	96.5	Very high	92.6	Very high	78 Å²	78	44.9 Å²	44.9	36%	0.364	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	155.2	-175.5	68.3	172.3	49.3	0	0	112.7	Y285 N289 I295 R296	Y285-Q287 HydrophobicContact CD2-CB 4.24Å; Y285-Q287 HydrophobicContact CE2-CB 4.25Å; Y285-Q287 HydrophobicContact CE2-CG 4.38Å; Q287-N289 PolarHBondContact NE2-OD1 3.16Å; Q287-I295 VanDerWaalsContact CA-O 3.24Å; Q287-I295 WeakPolarHBondContact CA-O 3.04Å; Q287-I295 WeakPolarHBondContact CB-O 3.4Å; Q287-R296 HydrophobicContact CB-CG 4.04Å
288	S	90.6	Very high	92.6	Very high	28 Å²	28	45.3 Å²	45.3	20%	0.196	24%	0.236	C	C	.	.			trans	-79.6	140.5	171.5	177.6	0	0	0	0	110.1	D290 S291 I295	S288-D290 PolarHBondContact OG-N 3.29Å; S288-S291 PolarHBondContact OG-OG 2.95Å; S288-I295 PolarHBondContact N-O 3.45Å; S288-I295 VanDerWaalsContact N-O 3.12Å
289	N	75.8	Confident	92.6	Very high	133 Å²	133	45.3 Å²	45.3	71%	0.711	24%	0.236	S	C	*	.	S	Bend	trans	-104.3	-4.8	173.1	-65.6	-29.3	0	0	0	112.9	Q287	Q287-N289 PolarHBondContact NE2-OD1 3.16Å
290	D	70.3	Confident	92.5	Very high	159 Å²	159	46.3 Å²	46.3	85%	0.85	24%	0.24	S	C	*	.	S	Bend	trans	-106.4	5.3	-166.1	-60.7	-36.1	0	0	0	113.6	S288	S288-D290 PolarHBondContact OG-N 3.29Å
291	S	67.9	Low	92.3	Very high	33 Å²	33	51.5 Å²	51.5	23%	0.231	26%	0.262	C	S	.	.			trans	-126.7	141.2	-177.2	54.3	0	0	0	0	112.3	S288 L293	S288-S291 PolarHBondContact OG-OG 2.95Å; S291-L293 PolarHBondContact O-N 3.08Å; S291-L293 PolarHBondContact OG-O 3.4Å
292	N	81.6	Confident	92	Very high	184 Å²	184	55.3 Å²	55.3	98%	0.984	28%	0.279	S	S	*	.	S	Bend	trans	-63	-24.1	170	-71.3	-21.2	0	0	0	112.1
293	L	92.6	Very high	91.8	Very high	36 Å²	36	52.2 Å²	52.2	19%	0.188	27%	0.265	C	S	.	.	S	Bend	trans	-82.8	130.2	171.6	179.8	65	0	0	0	110.3	S291 I295 L320 Y331 L333	S291-L293 PolarHBondContact O-N 3.08Å; S291-L293 PolarHBondContact OG-O 3.4Å; L293-I295 HydrophobicContact CD2-CD1 4.43Å; L293-I295 HydrophobicContact CD2-CG1 4.13Å; L293-I295 HydrophobicContact CG-CG1 4.14Å; L293-I295 PolarHBondContact O-N 3.46Å; L293-L320 HydrophobicContact CD2-CD1 3.67Å; L293-Y331 HydrophobicContact CD1-CD1 3.78Å; L293-Y331 HydrophobicContact CD1-CE1 3.74Å; L293-Y331 HydrophobicContact CD2-CD1 3.71Å; L293-Y331 HydrophobicContact CD2-CE1 3.94Å; L293-Y331 HydrophobicContact CD2-CG 4.46Å; L293-Y331 HydrophobicContact CG-CD1 4.43Å; L293-Y331 HydrophobicContact CG-CE1 4.49Å; L293-L333 VanDerWaalsContact CD1-O 3.24Å; L293-L333 WeakPolarHBondContact CD1-O 3.32Å
294	L	96.1	Very high	91.7	Very high	38 Å²	38	52.8 Å²	52.8	20%	0.199	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	109.4	173.5	175.9	62.3	0	0	0	110.1	K246 R296 K335 S336	K246-L294 HydrophobicContact CD-CD2 4.41Å; L294-R296 HydrophobicContact CD1-CG 3.98Å; L294-R296 HydrophobicContact CG-CG 4.15Å; L294-K335 HydrophobicContact CB-CB 3.9Å; L294-K335 HydrophobicContact CD2-CB 4.18Å; L294-K335 HydrophobicContact CG-CB 4.2Å; L294-K335 CarbonylContact O-C 3.52Å; L294-K335 WeakPolarHBondContact O-CA 3.27Å; L294-K335 WeakPolarHBondContact O-CB 3.43Å; L294-S336 PolarHBondContact O-N 3.15Å
295	I	98.3	Very high	91.5	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.1	177	-61.5	169.6	0	0	0	108.9	Q287 S288 L293 L313 T316 L320 S336	Q287-I295 VanDerWaalsContact CA-O 3.24Å; Q287-I295 WeakPolarHBondContact CA-O 3.04Å; Q287-I295 WeakPolarHBondContact CB-O 3.4Å; S288-I295 PolarHBondContact N-O 3.45Å; S288-I295 VanDerWaalsContact N-O 3.12Å; L293-I295 HydrophobicContact CD2-CD1 4.43Å; L293-I295 HydrophobicContact CD2-CG1 4.13Å; L293-I295 HydrophobicContact CG-CG1 4.14Å; L293-I295 PolarHBondContact O-N 3.46Å; I295-L313 HydrophobicContact CG2-CD1 4Å; I295-T316 HydrophobicContact CD1-CG2 4.22Å; I295-T316 HydrophobicContact CG2-CG2 3.6Å; I295-L320 HydrophobicContact CD1-CD1 4.19Å; I295-S336 WeakPolarHBondContact CA-O 3.33Å
296	R	98.4	Very high	91.2	Very high	15 Å²	15	57.3 Å²	57.3	6%	0.057	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.8	177.6	-52.8	179.3	-71.6	-159.7	0.2	112.1	E247 Y285 I286 Q287 L294 S336 D337 Q338	E247-R296 IonicContact OE1-NH1 3.63Å; E247-R296 PolarHBondContact OE1-NH1 3.41Å; E247-R296 VanDerWaalsContact OE1-NH1 3.11Å; Y285-R296 HydrophobicContact CD2-CB 4.19Å; Y285-R296 HydrophobicContact CD2-CG 3.98Å; Y285-R296 HydrophobicContact CE2-CG 4.39Å; I286-R296 CarbonylContact O-C 3.47Å; I286-R296 VanDerWaalsContact O-CA 3.27Å; I286-R296 WeakPolarHBondContact O-CA 3.35Å; Q287-R296 HydrophobicContact CB-CG 4.04Å; L294-R296 HydrophobicContact CD1-CG 3.98Å; L294-R296 HydrophobicContact CG-CG 4.15Å; R296-S336 PolarHBondContact N-O 3.29Å; R296-D337 WeakPolarHBondContact CB-OD1 3.39Å; R296-D337 IonicContact CZ-OD1 3.11Å; R296-D337 VanDerWaalsContact CZ-OD1 3.3Å; R296-D337 IonicContact CZ-OD2 3.01Å; R296-D337 IonicContact NE-OD1 2.62Å; R296-D337 PolarHBondContact NE-OD1 2.61Å; R296-D337 IonicContact NE-OD2 3.33Å; R296-D337 IonicContact NH2-OD1 2.65Å; R296-D337 PolarHBondContact NH2-OD1 3.25Å; R296-D337 VanDerWaalsContact NH2-OD1 3.08Å; R296-D337 IonicContact NH2-OD2 3.69Å; R296-D337 PolarHBondContact NH2-OD2 3.47Å; R296-D337 WeakPolarHBondContact O-CA 3.42Å; R296-Q338 PolarHBondContact O-N 3.23Å
297	I	98.6	Very high	91.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.9	170.2	-51.9	-55.9	0	0	0	108.4	Y285 I286 A312 L313 Q338 L362	Y285-I297 WeakPolarHBondContact CA-O 3.36Å; Y285-I297 WeakPolarHBondContact CB-O 3.49Å; I286-I297 HydrophobicContact CD1-CB 4.31Å; I286-I297 HydrophobicContact CG1-CB 3.83Å; I286-I297 HydrophobicContact CG1-CG1 4.38Å; I286-I297 PolarHBondContact N-O 3.3Å; I286-I297 PolarHBondContact O-N 2.94Å; I297-A312 HydrophobicContact CD1-CB 4.09Å; I297-A312 HydrophobicContact CG1-CB 4.25Å; I297-A312 HydrophobicContact CG2-CB 4.43Å; I297-L313 HydrophobicContact CG1-CB 3.75Å; I297-L313 HydrophobicContact CG1-CD1 3.96Å; I297-L313 HydrophobicContact CG1-CG 4.47Å; I297-Q338 CarbonylContact C-O 3.54Å; I297-Q338 WeakPolarHBondContact CA-O 3.32Å; I297-Q338 HydrophobicContact CD1-CB 3.83Å; I297-Q338 HydrophobicContact CD1-CG 4.39Å; I297-L362 HydrophobicContact CG2-CD2 4Å; I297-L362 HydrophobicContact CG2-CG 4.27Å
298	W	98.7	Very high	91	Very high	10 Å²	10	53.1 Å²	53.1	4%	0.038	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	132.5	-178.1	-67.5	84.8	0	0	0	111	V240 L242 F283 G284 Y285 D337 Q338 I339 A340	V240-W298 HydrophobicContact CG2-CZ3 3.93Å; L242-W298 HydrophobicContact CD1-CD2 3.71Å; L242-W298 HydrophobicContact CD1-CE3 4.09Å; L242-W298 HydrophobicContact CD1-CG 3.93Å; L242-W298 HydrophobicContact CD1-CZ2 4.5Å; L242-W298 HydrophobicContact CD2-CD2 4.22Å; L242-W298 HydrophobicContact CD2-CE3 4.45Å; L242-W298 HydrophobicContact CD2-CH2 3.76Å; L242-W298 HydrophobicContact CD2-CZ2 3.48Å; L242-W298 VanDerWaalsContact CD2-CZ2 3.48Å; L242-W298 HydrophobicContact CD2-CZ3 4.25Å; F283-W298 HydrophobicContact CB-CE3 4.41Å; G284-W298 WeakPolarHBondContact O-CA 3.2Å; G284-W298 VanDerWaalsContact O-CE3 3.32Å; Y285-W298 HydrophobicContact CD1-CD2 4.46Å; Y285-W298 HydrophobicContact CD1-CE3 4.17Å; Y285-W298 AromaticContact CD1-CH2 3.23Å; Y285-W298 HydrophobicContact CD1-CH2 3.23Å; Y285-W298 AromaticContact CD1-CZ2 3.56Å; Y285-W298 HydrophobicContact CD1-CZ2 3.56Å; Y285-W298 AromaticContact CD1-CZ3 3.56Å; Y285-W298 HydrophobicContact CD1-CZ3 3.56Å; Y285-W298 AromaticContact CE1-CH2 3.84Å; Y285-W298 HydrophobicContact CE1-CH2 3.84Å; Y285-W298 HydrophobicContact CE1-CZ2 4.22Å; Y285-W298 HydrophobicContact CE1-CZ3 4.47Å; Y285-W298 HydrophobicContact CG-CD2 4.38Å; Y285-W298 HydrophobicContact CG-CE3 4.44Å; Y285-W298 AromaticContact CG-CH2 3.99Å; Y285-W298 HydrophobicContact CG-CH2 3.99Å; Y285-W298 AromaticContact CG-CZ2 3.89Å; Y285-W298 HydrophobicContact CG-CZ2 3.89Å; Y285-W298 HydrophobicContact CG-CZ3 4.26Å; W298-D337 PolarHBondContact NE1-OD1 3.03Å; W298-Q338 PolarHBondContact N-O 3.14Å; W298-I339 HydrophobicContact CB-CB 3.84Å; W298-I339 HydrophobicContact CB-CD1 4.01Å; W298-I339 HydrophobicContact CB-CG1 3.73Å; W298-I339 WeakPolarHBondContact O-CA 3.37Å; W298-A340 PolarHBondContact O-N 3.21Å
299	A	97.6	Very high	91.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	176	174.8	0	0	0	0	0	111.1	F283 G284 K301 A303 L304 A340 L363	F283-A299 WeakPolarHBondContact CB-O 3.45Å; F283-A299 WeakPolarHBondContact CG-O 3.42Å; G284-A299 PolarHBondContact N-O 2.97Å; G284-A299 PolarHBondContact O-N 3.31Å; A299-K301 PolarHBondContact O-N 3.28Å; A299-A303 HydrophobicContact CB-CB 4.43Å; A299-L304 HydrophobicContact CB-CD2 3.85Å; A299-L304 HydrophobicContact CB-CG 4Å; A299-A340 HydrophobicContact CB-CB 4.13Å; A299-L363 HydrophobicContact CB-CD1 4.42Å; A299-L363 HydrophobicContact CB-CD2 3.92Å
300	R	95.6	Very high	92.4	Very high	22 Å²	22	49.1 Å²	49.1	8%	0.083	26%	0.258	C	S	.	.			trans	-52	136	168.3	-65.7	-175.5	-68	130.7	-3.2	109.8	Y194 F283 K302 A303 L304 E359 S816	Y194-R300 HydrophobicContact CD2-CG 4.19Å; Y194-R300 HydrophobicContact CE2-CG 3.88Å; F283-R300 HydrophobicContact CD1-CG 4.22Å; F283-R300 HydrophobicContact CE1-CG 3.6Å; F283-R300 HydrophobicContact CZ-CG 3.88Å; R300-K302 PolarHBondContact O-N 3.48Å; R300-K302 VanDerWaalsContact O-N 3.16Å; R300-A303 WeakPolarHBondContact O-CB 3.42Å; R300-A303 PolarHBondContact O-N 3.31Å; R300-L304 PolarHBondContact O-N 3.31Å; R300-E359 IonicContact CZ-OE1 3.81Å; R300-E359 VanDerWaalsContact CZ-OE1 3.3Å; R300-E359 IonicContact CZ-OE2 2.72Å; R300-E359 IonicContact NE-OE1 2.83Å; R300-E359 PolarHBondContact NE-OE1 2.89Å; R300-E359 IonicContact NE-OE2 2.67Å; R300-E359 IonicContact NH2-OE1 3.53Å; R300-E359 PolarHBondContact NH2-OE1 3.46Å; R300-E359 IonicContact NH2-OE2 3.51Å; R300-E359 PolarHBondContact NH2-OE2 3.19Å; R300-S816 PolarHBondContact NH2-O 3.28Å
301	K	94.2	Very high	93.7	Very high	110 Å²	110	42.6 Å²	42.6	48%	0.478	22%	0.221	S	C	.	.	H	α-helix	trans	-52.6	-41.8	-176	-69.3	173.7	177.5	162.1	0	112.5	E282 A299 A303 L304 N305	E282-K301 WeakPolarHBondContact O-CE 3.32Å; A299-K301 PolarHBondContact O-N 3.28Å; K301-A303 PolarHBondContact O-N 3.09Å; K301-L304 PolarHBondContact O-N 2.96Å; K301-N305 PolarHBondContact O-N 3.14Å; K301-N305 PolarHBondContact O-ND2 3.29Å; K301-N305 PolarHBondContact O-OD1 2.93Å
302	K	91.6	Very high	95.1	Very high	81 Å²	81	41 Å²	41	35%	0.352	21%	0.21	S	C	.	.	H	α-helix	trans	-57.3	-48.3	175.7	-170.6	171.6	-170	165	0	112.8	D197 R300 L304 N305 D306	D197-K302 IonicContact OD1-NZ 3.21Å; D197-K302 PolarHBondContact OD1-NZ 3.47Å; R300-K302 PolarHBondContact O-N 3.48Å; R300-K302 VanDerWaalsContact O-N 3.16Å; K302-L304 VanDerWaalsContact C-N 3.29Å; K302-L304 PolarHBondContact O-N 3.3Å; K302-N305 PolarHBondContact O-N 3.26Å; K302-D306 VanDerWaalsContact O-CG 3.23Å; K302-D306 PolarHBondContact O-N 3.01Å
303	A	92.5	Very high	95.9	Very high	3 Å²	3	33.4 Å²	33.4	3%	0.025	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-37	178.7	0	0	0	0	0	112.5	A299 R300 K301 G307 Q308 L363	A299-A303 HydrophobicContact CB-CB 4.43Å; R300-A303 WeakPolarHBondContact O-CB 3.42Å; R300-A303 PolarHBondContact O-N 3.31Å; K301-A303 PolarHBondContact O-N 3.09Å; A303-G307 PolarHBondContact O-N 2.96Å; A303-Q308 VanDerWaalsContact O-CB 3.26Å; A303-Q308 WeakPolarHBondContact O-CB 3.29Å; A303-Q308 WeakPolarHBondContact O-CG 3.34Å; A303-Q308 PolarHBondContact O-N 3.4Å; A303-L363 HydrophobicContact CB-CD1 3.87Å
304	L	95.3	Very high	96.1	Very high	19 Å²	19	37.1 Å²	37.1	10%	0.099	19%	0.19	C	C	.	.	H	α-helix	trans	-71.3	-41.2	175.7	-63.1	-178.8	0	0	0	112.5	G284 I286 A299 R300 K301 K302 D306 G307	G284-L304 VanDerWaalsContact O-CD1 3.29Å; G284-L304 WeakPolarHBondContact O-CD1 3.24Å; I286-L304 HydrophobicContact CG1-CD2 4.36Å; I286-L304 HydrophobicContact CG2-CD2 4.37Å; A299-L304 HydrophobicContact CB-CD2 3.85Å; A299-L304 HydrophobicContact CB-CG 4Å; R300-L304 PolarHBondContact O-N 3.31Å; K301-L304 PolarHBondContact O-N 2.96Å; K302-L304 VanDerWaalsContact C-N 3.29Å; K302-L304 PolarHBondContact O-N 3.3Å; L304-D306 PolarHBondContact O-N 3.35Å; L304-G307 WeakPolarHBondContact O-CA 3.23Å; L304-G307 PolarHBondContact O-N 2.97Å
305	N	93.9	Very high	96.1	Very high	138 Å²	138	35.7 Å²	35.7	74%	0.738	18%	0.182	S	C	*	.	H	α-helix	trans	-61.8	-33.2	175.4	-68.6	-13.6	0	0	0	111.8	K301 K302 G307	K301-N305 PolarHBondContact O-N 3.14Å; K301-N305 PolarHBondContact O-ND2 3.29Å; K301-N305 PolarHBondContact O-OD1 2.93Å; K302-N305 PolarHBondContact O-N 3.26Å; N305-G307 PolarHBondContact O-N 3.08Å
306	D	91.9	Very high	96.1	Very high	79 Å²	79	35.6 Å²	35.6	42%	0.422	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	2.7	173.6	-63.6	-15.9	0	0	0	112.6	K302 L304 Q308	K302-D306 VanDerWaalsContact O-CG 3.23Å; K302-D306 PolarHBondContact O-N 3.01Å; L304-D306 PolarHBondContact O-N 3.35Å; D306-Q308 VanDerWaalsContact C-N 3.32Å; D306-Q308 HydrophobicContact CB-CG 4.06Å; D306-Q308 PolarHBondContact O-N 2.94Å
307	G	94.9	Very high	96.1	Very high	22 Å²	22	35.4 Å²	35.4	23%	0.227	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	11.3	176.3	0	0	0	0	0	115.2	A303 L304 N305 G309 N310	A303-G307 PolarHBondContact O-N 2.96Å; L304-G307 WeakPolarHBondContact O-CA 3.23Å; L304-G307 PolarHBondContact O-N 2.97Å; N305-G307 PolarHBondContact O-N 3.08Å; G307-G309 VanDerWaalsContact C-N 3.27Å; G307-G309 PolarHBondContact O-N 3.24Å; G307-N310 WeakPolarHBondContact O-CB 3.45Å; G307-N310 VanDerWaalsContact O-CG 3.28Å; G307-N310 PolarHBondContact O-N 3.06Å; G307-N310 PolarHBondContact O-ND2 2.84Å
308	Q	95.6	Very high	96	Very high	3 Å²	3	37.6 Å²	37.6	1%	0.014	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-19.1	-168.9	-58	176.2	1.1	0	0	114.2	A303 D306 L363 Y364 D365	A303-Q308 VanDerWaalsContact O-CB 3.26Å; A303-Q308 WeakPolarHBondContact O-CB 3.29Å; A303-Q308 WeakPolarHBondContact O-CG 3.34Å; A303-Q308 PolarHBondContact O-N 3.4Å; D306-Q308 VanDerWaalsContact C-N 3.32Å; D306-Q308 HydrophobicContact CB-CG 4.06Å; D306-Q308 PolarHBondContact O-N 2.94Å; Q308-L363 HydrophobicContact CB-CB 4.09Å; Q308-L363 HydrophobicContact CB-CD2 4.27Å; Q308-L363 WeakPolarHBondContact O-CA 3.48Å; Q308-Y364 VanDerWaalsContact CA-O 3.3Å; Q308-Y364 WeakPolarHBondContact CA-O 3.48Å; Q308-Y364 PolarHBondContact O-N 3.16Å; Q308-D365 HydrophobicContact CG-CB 4.3Å
309	G	96.8	Very high	96	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-12.4	176.5	0	0	0	0	0	114.4	I286 G307 Y311 A312 L313	I286-G309 VanDerWaalsContact CD1-C 3.4Å; I286-G309 WeakPolarHBondContact CD1-O 3.35Å; G307-G309 VanDerWaalsContact C-N 3.27Å; G307-G309 PolarHBondContact O-N 3.24Å; G309-Y311 PolarHBondContact O-N 3.43Å; G309-A312 PolarHBondContact O-N 2.6Å; G309-L313 PolarHBondContact O-N 3.22Å
310	N	97	Very high	96	Very high	77 Å²	77	37.3 Å²	37.3	41%	0.412	20%	0.197	S	C	.	.	H	α-helix	trans	-63.6	-40.7	-167.1	-70.1	-20	0	0	0	112.8	G307 L313 N314	G307-N310 WeakPolarHBondContact O-CB 3.45Å; G307-N310 VanDerWaalsContact O-CG 3.28Å; G307-N310 PolarHBondContact O-N 3.06Å; G307-N310 PolarHBondContact O-ND2 2.84Å; N310-L313 PolarHBondContact O-N 2.71Å; N310-N314 WeakPolarHBondContact O-CB 3.48Å; N310-N314 PolarHBondContact O-N 3.03Å; N310-N314 PolarHBondContact O-OD1 2.9Å
311	Y	97.8	Very high	96	Very high	23 Å²	23	40.1 Å²	40.1	9%	0.09	21%	0.212	C	C	.	.	H	α-helix	trans	-64.3	-45.4	179.4	-177.4	-116.3	0	0	0	111.8	G309 L313 N314 V315 Y364 K374 V377 A378 E421 W424	G309-Y311 PolarHBondContact O-N 3.43Å; Y311-L313 VanDerWaalsContact C-N 3.31Å; Y311-L313 PolarHBondContact O-N 2.92Å; Y311-N314 PolarHBondContact O-N 3.15Å; Y311-V315 HydrophobicContact CD2-CG1 4.19Å; Y311-V315 HydrophobicContact CE1-CG1 4.37Å; Y311-V315 HydrophobicContact CE2-CG1 3.61Å; Y311-V315 WeakPolarHBondContact O-CG2 3.36Å; Y311-V315 PolarHBondContact O-N 3.41Å; Y311-V315 VanDerWaalsContact O-N 3.14Å; Y311-Y364 HydrophobicContact CD1-CD1 4.42Å; Y311-Y364 HydrophobicContact CD1-CG 4.35Å; Y311-Y364 HydrophobicContact CG-CD1 4.15Å; Y311-K374 HydrophobicContact CD1-CG 4.06Å; Y311-K374 HydrophobicContact CE1-CG 3.56Å; Y311-K374 HydrophobicContact CE2-CD 4.35Å; Y311-K374 HydrophobicContact CE2-CG 4.24Å; Y311-K374 WeakPolarHBondContact OH-CE 3.39Å; Y311-V377 HydrophobicContact CD1-CB 4.34Å; Y311-V377 HydrophobicContact CD1-CG1 3.87Å; Y311-V377 HydrophobicContact CE1-CB 4.43Å; Y311-V377 HydrophobicContact CE1-CG1 4.24Å; Y311-A378 HydrophobicContact CE1-CB 4.14Å; Y311-E421 VanDerWaalsContact CE2-OE1 3.31Å; Y311-E421 WeakPolarHBondContact CE2-OE1 3.43Å; Y311-E421 PolarHBondContact OH-OE1 3.07Å; Y311-W424 WeakPolarHBondContact OH-CH2 3.22Å
312	A	98.2	Very high	96.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-58.2	-44.4	175.8	0	0	0	0	0	111.8	I297 G309 N314 V315 T316 L362 I381	I297-A312 HydrophobicContact CD1-CB 4.09Å; I297-A312 HydrophobicContact CG1-CB 4.25Å; I297-A312 HydrophobicContact CG2-CB 4.43Å; G309-A312 PolarHBondContact O-N 2.6Å; A312-N314 VanDerWaalsContact C-N 3.33Å; A312-N314 PolarHBondContact O-N 3.3Å; A312-V315 PolarHBondContact O-N 2.85Å; A312-T316 WeakPolarHBondContact O-CB 3.23Å; A312-T316 PolarHBondContact O-N 3.33Å; A312-T316 VanDerWaalsContact O-N 3.15Å; A312-T316 PolarHBondContact O-OG1 3.49Å; A312-L362 HydrophobicContact CB-CD1 3.66Å; A312-L362 HydrophobicContact CB-CG 4.2Å; A312-L362 WeakPolarHBondContact CB-O 3.36Å; A312-I381 HydrophobicContact CB-CD1 3.55Å
313	L	97.8	Very high	96.5	Very high	24 Å²	24	32.6 Å²	32.6	13%	0.126	18%	0.179	C	C	.	.	H	α-helix	trans	-60.6	-43.8	177.2	-174.4	67.3	0	0	0	111.8	I286 I295 I297 G309 N310 Y311 V315	I286-L313 HydrophobicContact CB-CD2 4.3Å; I286-L313 HydrophobicContact CD1-CB 3.94Å; I286-L313 HydrophobicContact CD1-CD2 3.87Å; I286-L313 HydrophobicContact CD1-CG 4.48Å; I286-L313 HydrophobicContact CG1-CB 4.49Å; I286-L313 HydrophobicContact CG1-CD2 4.03Å; I295-L313 HydrophobicContact CG2-CD1 4Å; I297-L313 HydrophobicContact CG1-CB 3.75Å; I297-L313 HydrophobicContact CG1-CD1 3.96Å; I297-L313 HydrophobicContact CG1-CG 4.47Å; G309-L313 PolarHBondContact O-N 3.22Å; N310-L313 PolarHBondContact O-N 2.71Å; Y311-L313 VanDerWaalsContact C-N 3.31Å; Y311-L313 PolarHBondContact O-N 2.92Å; L313-V315 PolarHBondContact O-N 2.86Å
314	N	96.8	Very high	96.8	Very high	114 Å²	114	35.5 Å²	35.5	61%	0.61	19%	0.192	S	C	*	.	H	α-helix	trans	-64.6	-38.6	-177.4	-72.4	-4.1	0	0	0	113.3	N310 Y311 A312 P318	N310-N314 WeakPolarHBondContact O-CB 3.48Å; N310-N314 PolarHBondContact O-N 3.03Å; N310-N314 PolarHBondContact O-OD1 2.9Å; Y311-N314 PolarHBondContact O-N 3.15Å; A312-N314 VanDerWaalsContact C-N 3.33Å; A312-N314 PolarHBondContact O-N 3.3Å; N314-P318 VanDerWaalsContact O-CD 3.25Å; N314-P318 WeakPolarHBondContact O-CD 3.29Å
315	V	97.8	Very high	96.9	Very high	8 Å²	8	42.8 Å²	42.8	5%	0.048	22%	0.218	C	C	.	.	H	α-helix	trans	-86.3	-25.4	-176.8	-59.4	0	0	0	0	113.3	Y311 A312 L313 G317 P318 I319 I381 V420	Y311-V315 HydrophobicContact CD2-CG1 4.19Å; Y311-V315 HydrophobicContact CE1-CG1 4.37Å; Y311-V315 HydrophobicContact CE2-CG1 3.61Å; Y311-V315 WeakPolarHBondContact O-CG2 3.36Å; Y311-V315 PolarHBondContact O-N 3.41Å; Y311-V315 VanDerWaalsContact O-N 3.14Å; A312-V315 PolarHBondContact O-N 2.85Å; L313-V315 PolarHBondContact O-N 2.86Å; V315-G317 PolarHBondContact O-N 3.08Å; V315-P318 WeakPolarHBondContact O-CD 3.47Å; V315-I319 HydrophobicContact CB-CD1 4.03Å; V315-I319 HydrophobicContact CG2-CD1 4.14Å; V315-I319 WeakPolarHBondContact O-CB 3.49Å; V315-I319 VanDerWaalsContact O-CG1 3.23Å; V315-I319 WeakPolarHBondContact O-CG1 3.4Å; V315-I319 PolarHBondContact O-N 2.87Å; V315-I381 HydrophobicContact CG2-CD1 3.93Å; V315-I381 HydrophobicContact CG2-CG2 4.36Å; V315-V420 HydrophobicContact CB-CG2 4.32Å; V315-V420 HydrophobicContact CG1-CB 4.48Å; V315-V420 HydrophobicContact CG1-CG2 4.25Å
316	T	98.2	Very high	97.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.6	-50.9	-174.1	-65.6	0	0	0	0	113.1	I295 A312 I319 L320 Q338 L385	I295-T316 HydrophobicContact CD1-CG2 4.22Å; I295-T316 HydrophobicContact CG2-CG2 3.6Å; A312-T316 WeakPolarHBondContact O-CB 3.23Å; A312-T316 PolarHBondContact O-N 3.33Å; A312-T316 VanDerWaalsContact O-N 3.15Å; A312-T316 PolarHBondContact O-OG1 3.49Å; T316-I319 PolarHBondContact O-N 3.4Å; T316-L320 HydrophobicContact CG2-CD1 4.05Å; T316-L320 PolarHBondContact O-N 2.89Å; T316-Q338 PolarHBondContact OG1-NE2 2.88Å; T316-L385 HydrophobicContact CG2-CD1 4.1Å
317	G	96.9	Very high	97.3	Very high	10 Å²	10	33.9 Å²	33.9	10%	0.103	17%	0.168	C	C	.	.	H	α-helix	trans	-60.5	-52.6	-177.8	0	0	0	0	0	112.4	V315 I319 L320 Q321	V315-G317 PolarHBondContact O-N 3.08Å; G317-I319 PolarHBondContact O-N 3.39Å; G317-L320 PolarHBondContact O-N 2.95Å; G317-Q321 WeakPolarHBondContact O-CG 3.48Å; G317-Q321 PolarHBondContact O-N 3.22Å
318	P	97.4	Very high	97.4	Very high	46 Å²	46	38.3 Å²	38.3	30%	0.299	19%	0.187	S	C	.	.	H	α-helix	trans	-57.6	-40.8	174.5	-30	38	0	0	0	114.6	N314 V315 Q321 F322 F419 V420	N314-P318 VanDerWaalsContact O-CD 3.25Å; N314-P318 WeakPolarHBondContact O-CD 3.29Å; V315-P318 WeakPolarHBondContact O-CD 3.47Å; P318-Q321 PolarHBondContact O-N 3.06Å; P318-F322 PolarHBondContact O-N 2.78Å; P318-F419 HydrophobicContact CB-CE1 4.16Å; P318-F419 WeakPolarHBondContact O-CE1 3.38Å; P318-V420 HydrophobicContact CB-CG1 3.57Å
319	I	98.4	Very high	97.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.4	-44.3	176.8	-70.8	169.4	0	0	0	111.2	V315 T316 G317 Q321 F322 Y323 I381 L385 V420	V315-I319 HydrophobicContact CB-CD1 4.03Å; V315-I319 HydrophobicContact CG2-CD1 4.14Å; V315-I319 WeakPolarHBondContact O-CB 3.49Å; V315-I319 VanDerWaalsContact O-CG1 3.23Å; V315-I319 WeakPolarHBondContact O-CG1 3.4Å; V315-I319 PolarHBondContact O-N 2.87Å; T316-I319 PolarHBondContact O-N 3.4Å; G317-I319 PolarHBondContact O-N 3.39Å; I319-Q321 VanDerWaalsContact C-N 3.33Å; I319-Q321 PolarHBondContact O-N 3.27Å; I319-F322 WeakPolarHBondContact O-CB 3.32Å; I319-F322 PolarHBondContact O-N 3.13Å; I319-Y323 HydrophobicContact CG2-CD2 3.7Å; I319-Y323 HydrophobicContact CG2-CE2 3.39Å; I319-Y323 WeakPolarHBondContact O-CD2 3.25Å; I319-Y323 PolarHBondContact O-N 2.99Å; I319-I381 HydrophobicContact CD1-CG2 4.12Å; I319-L385 HydrophobicContact CB-CD1 3.97Å; I319-L385 HydrophobicContact CG2-CB 4.1Å; I319-L385 HydrophobicContact CG2-CD1 3.62Å; I319-V420 HydrophobicContact CD1-CG2 4.21Å; I319-V420 HydrophobicContact CG1-CG1 3.75Å; I319-V420 HydrophobicContact CG1-CG2 4.17Å
320	L	97.3	Very high	97.3	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.021	22%	0.223	C	C	.	.	H	α-helix	trans	-58.5	-45.8	174.7	-81	170.7	0	0	0	111.4	L293 I295 T316 G317 F322 Y323 E324 Y331 L385 W389	L293-L320 HydrophobicContact CD2-CD1 3.67Å; I295-L320 HydrophobicContact CD1-CD1 4.19Å; T316-L320 HydrophobicContact CG2-CD1 4.05Å; T316-L320 PolarHBondContact O-N 2.89Å; G317-L320 PolarHBondContact O-N 2.95Å; L320-F322 VanDerWaalsContact C-N 3.29Å; L320-F322 PolarHBondContact O-N 3.04Å; L320-Y323 PolarHBondContact O-N 3.33Å; L320-E324 WeakPolarHBondContact O-CG 3.27Å; L320-E324 PolarHBondContact O-N 2.86Å; L320-Y331 HydrophobicContact CD2-CD2 4.14Å; L320-L385 HydrophobicContact CD1-CD2 4.47Å; L320-L385 HydrophobicContact CD2-CB 4.44Å; L320-L385 HydrophobicContact CD2-CD2 3.92Å; L320-L385 HydrophobicContact CG-CD1 4.17Å; L320-L385 HydrophobicContact CG-CD2 4.12Å; L320-W389 HydrophobicContact CD2-CH2 3.93Å; L320-W389 HydrophobicContact CD2-CZ3 4.08Å
321	Q	96.6	Very high	97.3	Very high	81 Å²	81	41 Å²	41	38%	0.379	21%	0.206	S	C	.	.	H	α-helix	trans	-62.7	-36.4	177.1	-70.2	175.6	21	0	0	112.5	G317 P318 I319 R325	G317-Q321 WeakPolarHBondContact O-CG 3.48Å; G317-Q321 PolarHBondContact O-N 3.22Å; P318-Q321 PolarHBondContact O-N 3.06Å; I319-Q321 VanDerWaalsContact C-N 3.33Å; I319-Q321 PolarHBondContact O-N 3.27Å; Q321-R325 VanDerWaalsContact O-CG 3.3Å; Q321-R325 WeakPolarHBondContact O-CG 3.38Å; Q321-R325 PolarHBondContact O-N 3.02Å
322	F	97.9	Very high	97.1	Very high	34 Å²	34	41.8 Å²	41.8	15%	0.149	21%	0.214	C	C	.	.	H	α-helix	trans	-61	-51.5	173.6	168.7	-97.9	0	0	0	110.7	P318 I319 L320 E324 R325 Y326 L415 F419	P318-F322 PolarHBondContact O-N 2.78Å; I319-F322 WeakPolarHBondContact O-CB 3.32Å; I319-F322 PolarHBondContact O-N 3.13Å; L320-F322 VanDerWaalsContact C-N 3.29Å; L320-F322 PolarHBondContact O-N 3.04Å; F322-E324 PolarHBondContact O-N 3.31Å; F322-R325 PolarHBondContact O-N 3.12Å; F322-Y326 HydrophobicContact CE1-CG 4.37Å; F322-Y326 HydrophobicContact CZ-CD2 4.03Å; F322-Y326 HydrophobicContact CZ-CG 4.09Å; F322-Y326 VanDerWaalsContact O-CB 3.25Å; F322-Y326 WeakPolarHBondContact O-CB 3.49Å; F322-Y326 PolarHBondContact O-N 3.45Å; F322-L415 HydrophobicContact CE1-CB 3.92Å; F322-L415 HydrophobicContact CZ-CB 3.73Å; F322-F419 HydrophobicContact CB-CB 4.35Å; F322-F419 HydrophobicContact CB-CD1 3.71Å; F322-F419 HydrophobicContact CB-CE1 4.1Å; F322-F419 HydrophobicContact CB-CG 3.93Å; F322-F419 HydrophobicContact CD2-CB 3.84Å; F322-F419 HydrophobicContact CD2-CD1 4.42Å; F322-F419 AromaticContact CD2-CD2 3.83Å; F322-F419 HydrophobicContact CD2-CD2 3.83Å; F322-F419 AromaticContact CD2-CG 3.77Å; F322-F419 HydrophobicContact CD2-CG 3.77Å; F322-F419 HydrophobicContact CE2-CB 4.41Å; F322-F419 HydrophobicContact CG-CB 4.08Å; F322-F419 HydrophobicContact CG-CD1 4.33Å; F322-F419 HydrophobicContact CG-CG 4.06Å
323	Y	98.4	Very high	97.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.1	-37.9	-179.9	-72.2	-50.4	0	0	0	113.1	I319 L320 R325 Y326 Y327 S382 L385 A386 W389 V412	I319-Y323 HydrophobicContact CG2-CD2 3.7Å; I319-Y323 HydrophobicContact CG2-CE2 3.39Å; I319-Y323 WeakPolarHBondContact O-CD2 3.25Å; I319-Y323 PolarHBondContact O-N 2.99Å; L320-Y323 PolarHBondContact O-N 3.33Å; Y323-R325 VanDerWaalsContact C-N 3.28Å; Y323-R325 PolarHBondContact O-N 3.21Å; Y323-Y326 PolarHBondContact O-N 2.99Å; Y323-Y327 HydrophobicContact CD1-CD2 4.27Å; Y323-Y327 AromaticContact CD1-CE2 3.51Å; Y323-Y327 HydrophobicContact CD1-CE2 3.51Å; Y323-Y327 AromaticContact CD1-CZ 3.92Å; Y323-Y327 HydrophobicContact CE1-CE2 4.36Å; Y323-Y327 HydrophobicContact CG-CD2 4.49Å; Y323-Y327 AromaticContact CG-CE2 3.96Å; Y323-Y327 HydrophobicContact CG-CE2 3.96Å; Y323-Y327 WeakPolarHBondContact O-CB 3.47Å; Y323-Y327 VanDerWaalsContact O-CD2 3.27Å; Y323-Y327 WeakPolarHBondContact O-CD2 3.42Å; Y323-Y327 PolarHBondContact O-N 3.22Å; Y323-S382 WeakPolarHBondContact CE2-O 3.48Å; Y323-S382 PolarHBondContact OH-O 2.9Å; Y323-S382 PolarHBondContact OH-OG 2.97Å; Y323-L385 HydrophobicContact CD2-CB 4.27Å; Y323-L385 HydrophobicContact CE2-CB 4.19Å; Y323-A386 HydrophobicContact CE1-CB 4.18Å; Y323-A386 HydrophobicContact CE2-CB 4.03Å; Y323-W389 HydrophobicContact CD2-CZ3 4.41Å; Y323-W389 HydrophobicContact CG-CZ3 4.33Å; Y323-V412 HydrophobicContact CE1-CB 4Å; Y323-V412 HydrophobicContact CE1-CG2 3.8Å; Y323-V412 PolarHBondContact OH-O 2.92Å
324	E	97.4	Very high	96.9	Very high	63 Å²	63	44.2 Å²	44.2	29%	0.294	23%	0.231	S	C	.	.	H	α-helix	trans	-57.4	-42.4	173.6	-76	-173.5	127.9	0	0	112.2	L320 F322 N328 A329 Y331 W389	L320-E324 WeakPolarHBondContact O-CG 3.27Å; L320-E324 PolarHBondContact O-N 2.86Å; F322-E324 PolarHBondContact O-N 3.31Å; E324-N328 WeakPolarHBondContact O-CA 3.46Å; E324-N328 PolarHBondContact O-N 3.3Å; E324-A329 WeakPolarHBondContact CA-O 3.25Å; E324-A329 PolarHBondContact O-N 3.41Å; E324-Y331 PolarHBondContact OE1-N 3.15Å; E324-W389 HydrophobicContact CG-CH2 4.04Å; E324-W389 HydrophobicContact CG-CZ2 3.66Å
325	R	97.5	Very high	96.9	Very high	172 Å²	172	38.9 Å²	38.9	65%	0.649	20%	0.202	S	C	*	.	H	α-helix	trans	-73.9	-44.7	178.1	-68.8	173.8	-169.3	166.6	7.9	112.2	Q321 F322 Y323 N328	Q321-R325 VanDerWaalsContact O-CG 3.3Å; Q321-R325 WeakPolarHBondContact O-CG 3.38Å; Q321-R325 PolarHBondContact O-N 3.02Å; F322-R325 PolarHBondContact O-N 3.12Å; Y323-R325 VanDerWaalsContact C-N 3.28Å; Y323-R325 PolarHBondContact O-N 3.21Å; R325-N328 PolarHBondContact O-N 3.48Å
326	Y	97.6	Very high	96.9	Very high	30 Å²	30	38.5 Å²	38.5	12%	0.118	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-42	-176.3	179.8	-98.9	0	0	0	111.6	F322 Y323 V412 L415 E488 A492 L495	F322-Y326 HydrophobicContact CE1-CG 4.37Å; F322-Y326 HydrophobicContact CZ-CD2 4.03Å; F322-Y326 HydrophobicContact CZ-CG 4.09Å; F322-Y326 VanDerWaalsContact O-CB 3.25Å; F322-Y326 WeakPolarHBondContact O-CB 3.49Å; F322-Y326 PolarHBondContact O-N 3.45Å; Y323-Y326 PolarHBondContact O-N 2.99Å; Y326-V412 HydrophobicContact CE1-CG1 4.42Å; Y326-L415 HydrophobicContact CE2-CD1 4.19Å; Y326-E488 HydrophobicContact CE2-CG 4.37Å; Y326-E488 WeakPolarHBondContact CE2-OE1 3.36Å; Y326-E488 PolarHBondContact OH-OE1 3.19Å; Y326-A492 HydrophobicContact CD2-CB 4.26Å; Y326-A492 HydrophobicContact CE2-CB 3.8Å; Y326-L495 HydrophobicContact CE1-CD1 4.18Å
327	Y	97.1	Very high	97	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-86.3	-14.4	175.7	-62	-43.4	0	0	0	113.7	Y323 A329 W389 F390 V412 L495 S496 L499	Y323-Y327 HydrophobicContact CD1-CD2 4.27Å; Y323-Y327 AromaticContact CD1-CE2 3.51Å; Y323-Y327 HydrophobicContact CD1-CE2 3.51Å; Y323-Y327 AromaticContact CD1-CZ 3.92Å; Y323-Y327 HydrophobicContact CE1-CE2 4.36Å; Y323-Y327 HydrophobicContact CG-CD2 4.49Å; Y323-Y327 AromaticContact CG-CE2 3.96Å; Y323-Y327 HydrophobicContact CG-CE2 3.96Å; Y323-Y327 WeakPolarHBondContact O-CB 3.47Å; Y323-Y327 VanDerWaalsContact O-CD2 3.27Å; Y323-Y327 WeakPolarHBondContact O-CD2 3.42Å; Y323-Y327 PolarHBondContact O-N 3.22Å; Y327-A329 PolarHBondContact O-N 3.23Å; Y327-W389 HydrophobicContact CD2-CB 3.89Å; Y327-W389 AromaticContact CD2-CD1 3.96Å; Y327-W389 AromaticContact CD2-CD2 3.75Å; Y327-W389 HydrophobicContact CD2-CD2 3.75Å; Y327-W389 HydrophobicContact CD2-CE3 4.17Å; Y327-W389 AromaticContact CD2-CG 3.59Å; Y327-W389 HydrophobicContact CD2-CG 3.59Å; Y327-W389 HydrophobicContact CE2-CB 4Å; Y327-W389 HydrophobicContact CE2-CD2 4.17Å; Y327-W389 HydrophobicContact CE2-CE3 4.21Å; Y327-W389 HydrophobicContact CE2-CG 4.08Å; Y327-W389 HydrophobicContact CG-CG 4.4Å; Y327-F390 AromaticContact CD1-CE2 3.88Å; Y327-F390 HydrophobicContact CD1-CE2 3.88Å; Y327-F390 AromaticContact CE1-CD2 3.92Å; Y327-F390 HydrophobicContact CE1-CD2 3.92Å; Y327-F390 AromaticContact CE1-CE2 3.35Å; Y327-F390 HydrophobicContact CE1-CE2 3.35Å; Y327-F390 HydrophobicContact CE1-CZ 4.41Å; Y327-F390 HydrophobicContact CE2-CD2 4.28Å; Y327-F390 HydrophobicContact CE2-CE2 4.42Å; Y327-F390 AromaticContact CZ-CD2 3.7Å; Y327-F390 AromaticContact CZ-CE2 3.66Å; Y327-V412 VanDerWaalsContact OH-CG2 3.28Å; Y327-V412 WeakPolarHBondContact OH-CG2 3.44Å; Y327-L495 HydrophobicContact CD1-CB 4.42Å; Y327-L495 HydrophobicContact CD1-CD1 4.43Å; Y327-L495 HydrophobicContact CE1-CD1 3.96Å; Y327-S496 VanDerWaalsContact O-CA 3.26Å; Y327-S496 WeakPolarHBondContact O-CA 3.48Å; Y327-S496 WeakPolarHBondContact O-CB 3.17Å; Y327-S496 PolarHBondContact O-OG 3.43Å; Y327-L499 HydrophobicContact CD1-CD1 3.7Å; Y327-L499 HydrophobicContact CD2-CD1 4.17Å; Y327-L499 HydrophobicContact CE1-CD1 4.43Å; Y327-L499 HydrophobicContact CG-CD1 3.55Å
328	N	97.3	Very high	97.1	Very high	116 Å²	116	38 Å²	38	62%	0.62	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	52.1	-170.6	178.1	52.2	0	0	0	110.7	E324 R325 S496 N500	E324-N328 WeakPolarHBondContact O-CA 3.46Å; E324-N328 PolarHBondContact O-N 3.3Å; R325-N328 PolarHBondContact O-N 3.48Å; N328-S496 WeakPolarHBondContact CB-OG 3.32Å; N328-N500 PolarHBondContact O-ND2 2.75Å
329	A	95.4	Very high	97.1	Very high	12 Å²	12	35.9 Å²	35.9	10%	0.099	18%	0.181	C	C	.	.			trans	-150.3	124.8	-179.8	0	0	0	0	0	108.6	E324 Y327 W389	E324-A329 WeakPolarHBondContact CA-O 3.25Å; E324-A329 PolarHBondContact O-N 3.41Å; Y327-A329 PolarHBondContact O-N 3.23Å; A329-W389 PolarHBondContact O-NE1 2.72Å
330	T	94.9	Very high	97.1	Very high	108 Å²	108	35.9 Å²	35.9	66%	0.663	18%	0.181	S	C	*	.			trans	-75.8	148.6	-174.6	53.9	0	0	0	0	112.7	P332	T330-P332 WeakPolarHBondContact O-CD 3.49Å
331	Y	96.3	Very high	96.9	Very high	17 Å²	17	35.7 Å²	35.7	7%	0.067	18%	0.18	C	C	.	.			trans	-67	122.9	170.9	179.5	-101.4	0	0	0	110.2	L293 L320 E324 L333 K335 G353 M388 W389	L293-Y331 HydrophobicContact CD1-CD1 3.78Å; L293-Y331 HydrophobicContact CD1-CE1 3.74Å; L293-Y331 HydrophobicContact CD2-CD1 3.71Å; L293-Y331 HydrophobicContact CD2-CE1 3.94Å; L293-Y331 HydrophobicContact CD2-CG 4.46Å; L293-Y331 HydrophobicContact CG-CD1 4.43Å; L293-Y331 HydrophobicContact CG-CE1 4.49Å; L320-Y331 HydrophobicContact CD2-CD2 4.14Å; E324-Y331 PolarHBondContact OE1-N 3.15Å; Y331-L333 HydrophobicContact CD1-CB 4.42Å; Y331-L333 WeakPolarHBondContact CD1-O 3.21Å; Y331-L333 HydrophobicContact CE1-CB 3.59Å; Y331-L333 HydrophobicContact CE1-CG 4.42Å; Y331-L333 WeakPolarHBondContact CE1-O 3.22Å; Y331-K335 WeakPolarHBondContact CE1-O 3.11Å; Y331-K335 PolarHBondContact OH-O 2.81Å; Y331-G353 WeakPolarHBondContact OH-CA 3.39Å; Y331-M388 HydrophobicContact CD2-CB 4.06Å; Y331-M388 HydrophobicContact CD2-CG 4.27Å; Y331-M388 HydrophobicContact CE2-CB 3.99Å; Y331-M388 HydrophobicContact CE2-CG 3.82Å; Y331-M388 HydrophobicContact CE2-SD 3.97Å; Y331-W389 HydrophobicContact CD2-CH2 4.31Å
332	P	94.8	Very high	96.4	Very high	38 Å²	38	32 Å²	32	25%	0.247	16%	0.163	C	C	.	.			trans	-90.2	-4.6	-163.9	32.7	-34.7	0	0	0	115.6	T330 W352 Y504	T330-P332 WeakPolarHBondContact O-CD 3.49Å; P332-W352 HydrophobicContact CG-CH2 4.31Å; P332-W352 HydrophobicContact CG-CZ2 3.43Å; P332-W352 VanDerWaalsContact CG-CZ2 3.43Å; P332-Y504 WeakPolarHBondContact CB-OH 3.44Å
333	L	96.3	Very high	95.5	Very high	24 Å²	24	31.6 Å²	31.6	13%	0.126	16%	0.163	C	C	.	.	S	Bend	trans	-100.8	155.2	-177.6	-54.8	-179.7	0	0	0	112	P269 L293 Y331 K335 W352	P269-L333 HydrophobicContact CG-CD2 3.51Å; L293-L333 VanDerWaalsContact CD1-O 3.24Å; L293-L333 WeakPolarHBondContact CD1-O 3.32Å; Y331-L333 HydrophobicContact CD1-CB 4.42Å; Y331-L333 WeakPolarHBondContact CD1-O 3.21Å; Y331-L333 HydrophobicContact CE1-CB 3.59Å; Y331-L333 HydrophobicContact CE1-CG 4.42Å; Y331-L333 WeakPolarHBondContact CE1-O 3.22Å; L333-K335 PolarHBondContact O-N 3.17Å; L333-W352 HydrophobicContact CD1-CB 4.39Å; L333-W352 VanDerWaalsContact CD1-CD1 3.5Å; L333-W352 HydrophobicContact CD1-CD2 4.4Å; L333-W352 HydrophobicContact CD1-CG 3.83Å
334	S	94.9	Very high	94.5	Very high	52 Å²	52	31.7 Å²	31.7	36%	0.364	16%	0.163	S	C	.	.	S	Bend	trans	-71.3	-14.8	178.5	60.2	0	0	0	0	113.9	E266	E266-S334 PolarHBondContact OE2-OG 2.75Å
335	K	97.1	Very high	93	Very high	1 Å²	1	30.3 Å²	30.3	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	161	-178	64.7	90.7	176.5	177	0	113.4	S243 N244 G245 K246 L294 Y331 L333 D337 G353	S243-K335 PolarHBondContact O-NZ 3.44Å; N244-K335 WeakPolarHBondContact O-CE 3.33Å; N244-K335 PolarHBondContact O-NZ 2.93Å; G245-K335 VanDerWaalsContact C-CE 3.49Å; G245-K335 VanDerWaalsContact O-CE 3.27Å; G245-K335 WeakPolarHBondContact O-CE 3.42Å; K246-K335 HydrophobicContact CB-CG 4.01Å; L294-K335 HydrophobicContact CB-CB 3.9Å; L294-K335 HydrophobicContact CD2-CB 4.18Å; L294-K335 HydrophobicContact CG-CB 4.2Å; L294-K335 CarbonylContact O-C 3.52Å; L294-K335 WeakPolarHBondContact O-CA 3.27Å; L294-K335 WeakPolarHBondContact O-CB 3.43Å; Y331-K335 WeakPolarHBondContact CE1-O 3.11Å; Y331-K335 PolarHBondContact OH-O 2.81Å; L333-K335 PolarHBondContact O-N 3.17Å; K335-D337 HydrophobicContact CD-CB 4.4Å; K335-D337 VanDerWaalsContact CD-OD2 3.28Å; K335-D337 WeakPolarHBondContact CD-OD2 3.39Å; K335-D337 VanDerWaalsContact CE-OD2 3.27Å; K335-D337 WeakPolarHBondContact CE-OD2 3.46Å; K335-D337 IonicContact NZ-OD2 3.76Å; K335-D337 PolarHBondContact NZ-OD2 3.31Å; K335-G353 PolarHBondContact NZ-O 3.36Å
336	S	98	Very high	91.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	105.5	169.9	179.1	0	0	0	0	109.1	L294 I295 R296	L294-S336 PolarHBondContact O-N 3.15Å; I295-S336 WeakPolarHBondContact CA-O 3.33Å; R296-S336 PolarHBondContact N-O 3.29Å
337	D	98.7	Very high	90.8	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	139.3	172.3	-71.4	-40.3	0	0	0	110.2	R296 W298 K335 G353 L354 V355	R296-D337 WeakPolarHBondContact CB-OD1 3.39Å; R296-D337 IonicContact CZ-OD1 3.11Å; R296-D337 VanDerWaalsContact CZ-OD1 3.3Å; R296-D337 IonicContact CZ-OD2 3.01Å; R296-D337 IonicContact NE-OD1 2.62Å; R296-D337 PolarHBondContact NE-OD1 2.61Å; R296-D337 IonicContact NE-OD2 3.33Å; R296-D337 IonicContact NH2-OD1 2.65Å; R296-D337 PolarHBondContact NH2-OD1 3.25Å; R296-D337 VanDerWaalsContact NH2-OD1 3.08Å; R296-D337 IonicContact NH2-OD2 3.69Å; R296-D337 PolarHBondContact NH2-OD2 3.47Å; R296-D337 WeakPolarHBondContact O-CA 3.42Å; W298-D337 PolarHBondContact NE1-OD1 3.03Å; K335-D337 HydrophobicContact CD-CB 4.4Å; K335-D337 VanDerWaalsContact CD-OD2 3.28Å; K335-D337 WeakPolarHBondContact CD-OD2 3.39Å; K335-D337 VanDerWaalsContact CE-OD2 3.27Å; K335-D337 WeakPolarHBondContact CE-OD2 3.46Å; K335-D337 IonicContact NZ-OD2 3.76Å; K335-D337 PolarHBondContact NZ-OD2 3.31Å; D337-G353 WeakPolarHBondContact CB-O 3.27Å; D337-G353 PolarHBondContact N-O 2.84Å; D337-L354 HydrophobicContact CB-CD1 3.55Å; D337-L354 CarbonylContact O-C 3.53Å; D337-L354 WeakPolarHBondContact O-CA 3.28Å; D337-V355 PolarHBondContact O-N 3.09Å
338	Q	98.8	Very high	90.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.6	172.1	-66.5	176.7	75.6	0	0	109.1	R296 I297 W298 T316 V355 Y357 L362	R296-Q338 PolarHBondContact O-N 3.23Å; I297-Q338 CarbonylContact C-O 3.54Å; I297-Q338 WeakPolarHBondContact CA-O 3.32Å; I297-Q338 HydrophobicContact CD1-CB 3.83Å; I297-Q338 HydrophobicContact CD1-CG 4.39Å; W298-Q338 PolarHBondContact N-O 3.14Å; T316-Q338 PolarHBondContact OG1-NE2 2.88Å; Q338-V355 CarbonylContact C-O 3.56Å; Q338-V355 WeakPolarHBondContact CA-O 3.46Å; Q338-V355 HydrophobicContact CG-CB 4.2Å; Q338-Y357 HydrophobicContact CB-CD2 4.31Å; Q338-Y357 HydrophobicContact CB-CE2 3.66Å; Q338-Y357 HydrophobicContact CG-CE2 3.79Å; Q338-Y357 PolarHBondContact OE1-OH 3.19Å; Q338-L362 HydrophobicContact CB-CD1 4.19Å; Q338-L362 HydrophobicContact CB-CD2 4.18Å
339	I	98.7	Very high	90.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.8	-172.9	-174.1	164.5	0	0	0	112.9	L242 V279 F283 W298 L341 L354 V355 T356 Y357	L242-I339 HydrophobicContact CD1-CD1 3.92Å; V279-I339 HydrophobicContact CB-CD1 4.42Å; V279-I339 HydrophobicContact CG1-CD1 3.87Å; V279-I339 HydrophobicContact CG2-CD1 4.42Å; F283-I339 HydrophobicContact CD2-CD1 3.77Å; F283-I339 HydrophobicContact CD2-CG1 3.98Å; F283-I339 HydrophobicContact CE2-CD1 4.11Å; F283-I339 HydrophobicContact CE2-CG1 4.12Å; W298-I339 HydrophobicContact CB-CB 3.84Å; W298-I339 HydrophobicContact CB-CD1 4.01Å; W298-I339 HydrophobicContact CB-CG1 3.73Å; W298-I339 WeakPolarHBondContact O-CA 3.37Å; I339-L341 HydrophobicContact CD1-CD2 4.17Å; I339-L341 HydrophobicContact CG1-CD2 4.15Å; I339-L341 HydrophobicContact CG2-CG 4.48Å; I339-L354 HydrophobicContact CG2-CD1 4.12Å; I339-V355 PolarHBondContact N-O 2.59Å; I339-T356 HydrophobicContact CG2-CG2 3.64Å; I339-Y357 PolarHBondContact O-N 3.06Å
340	A	97.6	Very high	90.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	110.9	174.1	0	0	0	0	0	110.9	F283 W298 A299 E359 L362 L363	F283-A340 VanDerWaalsContact CE2-O 3.23Å; F283-A340 WeakPolarHBondContact CE2-O 3.38Å; W298-A340 PolarHBondContact O-N 3.21Å; A299-A340 HydrophobicContact CB-CB 4.13Å; A340-E359 HydrophobicContact CB-CG 4.27Å; A340-L362 HydrophobicContact CB-CB 4.25Å; A340-L362 HydrophobicContact CB-CD2 3.88Å; A340-L363 HydrophobicContact CB-CD1 4.01Å; A340-L363 HydrophobicContact CB-CD2 4.05Å; A340-L363 HydrophobicContact CB-CG 3.82Å
341	L	94.4	Very high	90.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	135.8	-178.8	-64.1	174.1	0	0	0	111.9	V203 T205 I339 F344 T356 Y357 E359	V203-L341 HydrophobicContact CG1-CD2 4.27Å; T205-L341 HydrophobicContact CG2-CD1 4.01Å; T205-L341 HydrophobicContact CG2-CD2 4.43Å; T205-L341 WeakPolarHBondContact OG1-CD1 3.41Å; I339-L341 HydrophobicContact CD1-CD2 4.17Å; I339-L341 HydrophobicContact CG1-CD2 4.15Å; I339-L341 HydrophobicContact CG2-CG 4.48Å; L341-F344 HydrophobicContact CB-CB 4.15Å; L341-F344 HydrophobicContact CD1-CD2 3.85Å; L341-F344 HydrophobicContact CD1-CE2 4.42Å; L341-F344 HydrophobicContact CD1-CG 4.49Å; L341-T356 HydrophobicContact CD1-CG2 3.89Å; L341-Y357 PolarHBondContact N-O 3.3Å; L341-E359 PolarHBondContact O-N 3.15Å
342	P	85.4	Confident	91	Very high	4 Å²	4	12.6 Å²	12.6	3%	0.026	9%	0.087	C	C	.	.	S	Bend	trans	-65.5	-43.4	179.9	-24.7	34.4	0	0	0	114.9	Y194 F283 R851 Q853	Y194-P342 HydrophobicContact CD1-CG 4.06Å; Y194-P342 HydrophobicContact CG-CG 3.96Å; F283-P342 HydrophobicContact CZ-CG 4.23Å; P342-R851 PolarHBondContact O-NH1 3.27Å; P342-Q853 PolarHBondContact O-NE2 2.78Å
343	D	78.3	Confident	91.2	Very high	26 Å²	26	10.8 Å²	10.8	14%	0.139	8%	0.075	C	C	.	.	S	Bend	trans	-113.7	115.6	169.2	-50.7	-59.4	0	0	0	109.6	L186 Y190 S192 E193 Q853	L186-D343 HydrophobicContact CD2-CB 4Å; Y190-D343 PolarHBondContact OH-O 3.31Å; S192-D343 VanDerWaalsContact OG-CB 3.28Å; S192-D343 WeakPolarHBondContact OG-CB 3.39Å; S192-D343 PolarHBondContact OG-N 3.06Å; S192-D343 PolarHBondContact OG-OD2 3.41Å; E193-D343 PolarHBondContact N-OD2 3.2Å; E193-D343 VanDerWaalsContact N-OD2 3.09Å; D343-Q853 VanDerWaalsContact CA-OE1 3.31Å
344	F	77	Confident	91.3	Very high	2 Å²	2	9.6 Å²	9.6	1%	0.009	7%	0.069	C	C	.	.			trans	-149.3	115.5	177.8	-171.4	-110.9	0	0	0	108.2	Y190 L341 A346 A348 M349 T356 R358	Y190-F344 WeakPolarHBondContact OH-CD2 3.47Å; L341-F344 HydrophobicContact CB-CB 4.15Å; L341-F344 HydrophobicContact CD1-CD2 3.85Å; L341-F344 HydrophobicContact CD1-CE2 4.42Å; L341-F344 HydrophobicContact CD1-CG 4.49Å; F344-A346 HydrophobicContact CD1-CB 4.22Å; F344-A346 WeakPolarHBondContact CD1-O 3.49Å; F344-A346 HydrophobicContact CE1-CB 3.46Å; F344-A346 VanDerWaalsContact CE1-CB 3.46Å; F344-A346 HydrophobicContact CZ-CB 3.77Å; F344-A348 VanDerWaalsContact CE1-CA 3.49Å; F344-M349 HydrophobicContact CZ-CB 3.72Å; F344-T356 WeakPolarHBondContact CZ-OG1 3.47Å; F344-R358 HydrophobicContact CB-CG 3.9Å; F344-R358 HydrophobicContact CD1-CG 4.05Å; F344-R358 HydrophobicContact CG-CG 4.49Å; F344-R358 VanDerWaalsContact O-CG 3.3Å; F344-R358 WeakPolarHBondContact O-CG 3.37Å; F344-R358 PolarHBondContact O-NE 2.93Å; F344-R358 PolarHBondContact O-NH2 2.64Å
345	N	67.9	Low	91.5	Very high	34 Å²	34	7.1 Å²	7.1	18%	0.182	5%	0.051	C	C	.	.	S	Bend	trans	-72.2	-39.6	-173.1	-171.9	38.4	0	0	0	112.6	L186 R358 S891	L186-N345 HydrophobicContact CB-CB 4.03Å; L186-N345 HydrophobicContact CD1-CB 3.62Å; L186-N345 HydrophobicContact CG-CB 4.43Å; N345-R358 PolarHBondContact O-NH2 3.1Å; N345-S891 WeakPolarHBondContact ND2-CB 3.28Å; N345-S891 PolarHBondContact ND2-O 2.91Å; N345-S891 PolarHBondContact ND2-OG 3.4Å
346	A	67.8	Low	91.6	Very high	33 Å²	33	7.1 Å²	7.1	27%	0.273	5%	0.051	S	C	.	.	S	Bend	trans	-69.4	173.2	173.3	0	0	0	0	0	110.7	F344 R358	F344-A346 HydrophobicContact CD1-CB 4.22Å; F344-A346 WeakPolarHBondContact CD1-O 3.49Å; F344-A346 HydrophobicContact CE1-CB 3.46Å; F344-A346 VanDerWaalsContact CE1-CB 3.46Å; F344-A346 HydrophobicContact CZ-CB 3.77Å; A346-R358 WeakPolarHBondContact O-CD 3.08Å; A346-R358 WeakPolarHBondContact O-CG 3.34Å; A346-R358 PolarHBondContact O-NE 3.5Å
347	G	79.8	Confident	91.5	Very high	30 Å²	30	7.1 Å²	7.1	31%	0.309	5%	0.051	S	C	.	.	S	Bend	trans	-73.5	-55.8	172.4	0	0	0	0	0	110.4	R358	G347-R358 PolarHBondContact O-N 3.01Å
348	A	93.8	Very high	91.2	Very high	13 Å²	13	9.6 Å²	9.6	11%	0.107	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	179.2	169	0	0	0	0	0	109	F344 T356 Y357 V380 E384	F344-A348 VanDerWaalsContact CE1-CA 3.49Å; A348-T356 CarbonylContact C-O 3.56Å; A348-T356 WeakPolarHBondContact CA-O 2.99Å; A348-T356 WeakPolarHBondContact CB-O 3.4Å; A348-Y357 HydrophobicContact CB-CD1 3.44Å; A348-Y357 VanDerWaalsContact CB-CD1 3.44Å; A348-Y357 HydrophobicContact CB-CE1 3.79Å; A348-Y357 HydrophobicContact CB-CG 4.02Å; A348-V380 HydrophobicContact CB-CG1 3.62Å; A348-E384 VanDerWaalsContact CB-CD 3.42Å; A348-E384 HydrophobicContact CB-CG 3.59Å; A348-E384 VanDerWaalsContact CB-OE1 3.28Å; A348-E384 WeakPolarHBondContact CB-OE1 3.24Å
349	M	97.4	Very high	91	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	131.8	176.2	171.1	74.9	-144	0	0	109.7	Q209 Y274 I275 F344 N351 V355 T356 E384	Q209-M349 HydrophobicContact CB-CE 3.74Å; Q209-M349 HydrophobicContact CB-SD 3.42Å; Q209-M349 WeakPolarHBondContact CB-SD 3.34Å; Q209-M349 HydrophobicContact CG-CE 4.3Å; Q209-M349 HydrophobicContact CG-SD 4.11Å; Q209-M349 PolarHBondContact OE1-SD 2.99Å; Q209-M349 VanDerWaalsContact OE1-SD 3.42Å; Y274-M349 HydrophobicContact CD2-CE 3.8Å; Y274-M349 HydrophobicContact CE2-CE 3.96Å; I275-M349 HydrophobicContact CG2-CE 3.95Å; F344-M349 HydrophobicContact CZ-CB 3.72Å; M349-N351 VanDerWaalsContact CG-OD1 3.27Å; M349-N351 WeakPolarHBondContact CG-OD1 3.27Å; M349-N351 PolarHBondContact O-N 2.85Å; M349-N351 PolarHBondContact O-ND2 2.93Å; M349-V355 WeakPolarHBondContact O-CA 3.43Å; M349-V355 VanDerWaalsContact O-CG1 3.25Å; M349-V355 WeakPolarHBondContact O-CG1 3.48Å; M349-T356 PolarHBondContact N-O 2.94Å; M349-T356 PolarHBondContact O-N 3.27Å; M349-T356 VanDerWaalsContact O-N 3.1Å; M349-E384 WeakPolarHBondContact CA-OE2 3.45Å; M349-E384 PolarHBondContact N-OE2 3.28Å
350	E	98.1	Very high	90.6	Very high	4 Å²	4	11.5 Å²	11.5	2%	0.019	7%	0.072	C	C	.	.			trans	-80.3	26.1	-164	70.6	-89.2	-158.9	0	0	114.7	Q209 Y274 I275 W352 E384 H387 M388 N392	Q209-E350 PolarHBondContact NE2-OE1 3.28Å; Y274-E350 WeakPolarHBondContact CE2-OE1 3.1Å; I275-E350 HydrophobicContact CG2-CG 4.27Å; E350-W352 PolarHBondContact O-N 3.13Å; E350-W352 VanDerWaalsContact O-N 3.13Å; E350-E384 VanDerWaalsContact CA-OE2 3.31Å; E350-E384 WeakPolarHBondContact CA-OE2 3.3Å; E350-E384 WeakPolarHBondContact CB-OE2 3.21Å; E350-E384 PolarHBondContact N-OE2 3.04Å; E350-H387 HydrophobicContact CB-CB 3.39Å; E350-H387 HydrophobicContact CG-CB 3.64Å; E350-M388 HydrophobicContact CB-CE 4.25Å; E350-M388 WeakPolarHBondContact O-CE 3.45Å; E350-N392 PolarHBondContact O-ND2 3.35Å
351	N	98.7	Very high	90.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.072	C	C	.	.			trans	-53.4	126.3	-172.1	-37.5	-84.3	0	0	0	110.4	I275 A277 M349 G353 L354 V355 T356	I275-N351 WeakPolarHBondContact O-CB 3.38Å; A277-N351 HydrophobicContact CB-CB 3.41Å; A277-N351 VanDerWaalsContact CB-CB 3.41Å; M349-N351 VanDerWaalsContact CG-OD1 3.27Å; M349-N351 WeakPolarHBondContact CG-OD1 3.27Å; M349-N351 PolarHBondContact O-N 2.85Å; M349-N351 PolarHBondContact O-ND2 2.93Å; N351-G353 PolarHBondContact O-N 3.21Å; N351-L354 WeakPolarHBondContact CB-O 3.28Å; N351-L354 PolarHBondContact ND2-O 3.46Å; N351-L354 CarbonylContact O-C 3.55Å; N351-L354 VanDerWaalsContact O-C 3.22Å; N351-L354 PolarHBondContact O-N 2.81Å; N351-V355 PolarHBondContact O-N 3.15Å; N351-T356 PolarHBondContact ND2-OG1 2.84Å
352	W	98.5	Very high	90.6	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.008	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	109.6	-160.5	-157.6	2.2	0	0	0	111.9	N244 P269 M271 I275 P332 L333 E350 M388 N392 L393 Y504	N244-W352 WeakPolarHBondContact CA-O 3.31Å; N244-W352 VanDerWaalsContact CB-O 3.26Å; N244-W352 WeakPolarHBondContact CB-O 3.29Å; N244-W352 PolarHBondContact ND2-N 3Å; N244-W352 PolarHBondContact ND2-O 3.13Å; P269-W352 HydrophobicContact CB-CH2 4.49Å; P269-W352 HydrophobicContact CB-CZ3 4.34Å; M271-W352 HydrophobicContact CB-CE3 3.65Å; M271-W352 HydrophobicContact CB-CZ3 3.78Å; M271-W352 HydrophobicContact CE-CB 4.43Å; M271-W352 HydrophobicContact SD-CE3 4.27Å; I275-W352 HydrophobicContact CD1-CB 4.23Å; I275-W352 HydrophobicContact CD1-CE3 4.06Å; I275-W352 PolarHBondContact O-N 2.83Å; P332-W352 HydrophobicContact CG-CH2 4.31Å; P332-W352 HydrophobicContact CG-CZ2 3.43Å; P332-W352 VanDerWaalsContact CG-CZ2 3.43Å; L333-W352 HydrophobicContact CD1-CB 4.39Å; L333-W352 VanDerWaalsContact CD1-CD1 3.5Å; L333-W352 HydrophobicContact CD1-CD2 4.4Å; L333-W352 HydrophobicContact CD1-CG 3.83Å; E350-W352 PolarHBondContact O-N 3.13Å; E350-W352 VanDerWaalsContact O-N 3.13Å; W352-M388 VanDerWaalsContact CD1-SD 3.58Å; W352-N392 HydrophobicContact CB-CB 4.4Å; W352-N392 HydrophobicContact CD2-CB 3.74Å; W352-N392 HydrophobicContact CE3-CB 4.13Å; W352-N392 HydrophobicContact CG-CB 3.89Å; W352-N392 HydrophobicContact CZ2-CB 4.32Å; W352-L393 HydrophobicContact CH2-CB 4.33Å; W352-L393 HydrophobicContact CH2-CD1 4.13Å; W352-L393 HydrophobicContact CZ2-CB 4.14Å; W352-L393 HydrophobicContact CZ2-CD1 4.27Å; W352-Y504 AromaticContact CH2-CD1 3.91Å; W352-Y504 HydrophobicContact CH2-CD1 3.91Å; W352-Y504 AromaticContact CH2-CE1 3.72Å; W352-Y504 HydrophobicContact CH2-CE1 3.72Å; W352-Y504 HydrophobicContact CZ2-CE1 4.5Å; W352-Y504 HydrophobicContact CZ3-CD1 4.43Å; W352-Y504 HydrophobicContact CZ3-CE1 4.5Å
353	G	97.9	Very high	91.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	-6.4	-176.4	0	0	0	0	0	115.8	Y331 K335 D337 N351	Y331-G353 WeakPolarHBondContact OH-CA 3.39Å; K335-G353 PolarHBondContact NZ-O 3.36Å; D337-G353 WeakPolarHBondContact CB-O 3.27Å; D337-G353 PolarHBondContact N-O 2.84Å; N351-G353 PolarHBondContact O-N 3.21Å
354	L	98.8	Very high	91.9	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	73.3	174	-178.9	58.7	0	0	0	110.5	L242 A277 V279 D337 I339 N351	L242-L354 HydrophobicContact CB-CD1 4.14Å; L242-L354 HydrophobicContact CB-CD2 3.72Å; L242-L354 HydrophobicContact CD1-CD1 4.14Å; A277-L354 HydrophobicContact CB-CB 4.47Å; A277-L354 HydrophobicContact CB-CD2 4.18Å; A277-L354 HydrophobicContact CB-CG 4.47Å; V279-L354 HydrophobicContact CG2-CD2 4.16Å; D337-L354 HydrophobicContact CB-CD1 3.55Å; D337-L354 CarbonylContact O-C 3.53Å; D337-L354 WeakPolarHBondContact O-CA 3.28Å; I339-L354 HydrophobicContact CG2-CD1 4.12Å; N351-L354 WeakPolarHBondContact CB-O 3.28Å; N351-L354 PolarHBondContact ND2-O 3.46Å; N351-L354 CarbonylContact O-C 3.55Å; N351-L354 VanDerWaalsContact O-C 3.22Å; N351-L354 PolarHBondContact O-N 2.81Å
355	V	98.8	Very high	92.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	131.9	-177.9	-173.8	0	0	0	0	109.9	D337 Q338 I339 M349 N351 Y357 E384 M388	D337-V355 PolarHBondContact O-N 3.09Å; Q338-V355 CarbonylContact C-O 3.56Å; Q338-V355 WeakPolarHBondContact CA-O 3.46Å; Q338-V355 HydrophobicContact CG-CB 4.2Å; I339-V355 PolarHBondContact N-O 2.59Å; M349-V355 WeakPolarHBondContact O-CA 3.43Å; M349-V355 VanDerWaalsContact O-CG1 3.25Å; M349-V355 WeakPolarHBondContact O-CG1 3.48Å; N351-V355 PolarHBondContact O-N 3.15Å; V355-Y357 HydrophobicContact CB-CD2 4.5Å; V355-Y357 HydrophobicContact CB-CE2 3.65Å; V355-Y357 HydrophobicContact CG1-CD2 4.04Å; V355-Y357 HydrophobicContact CG1-CE1 4.23Å; V355-Y357 HydrophobicContact CG1-CE2 3.26Å; V355-Y357 WeakPolarHBondContact CG1-OH 3.45Å; V355-E384 HydrophobicContact CG1-CB 3.53Å; V355-E384 HydrophobicContact CG1-CG 3.64Å; V355-M388 HydrophobicContact CG2-CE 3.51Å
356	T	98.3	Very high	93.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.4	-178.1	52.8	0	0	0	0	110.7	I339 L341 F344 A348 M349 N351	I339-T356 HydrophobicContact CG2-CG2 3.64Å; L341-T356 HydrophobicContact CD1-CG2 3.89Å; F344-T356 WeakPolarHBondContact CZ-OG1 3.47Å; A348-T356 CarbonylContact C-O 3.56Å; A348-T356 WeakPolarHBondContact CA-O 2.99Å; A348-T356 WeakPolarHBondContact CB-O 3.4Å; M349-T356 PolarHBondContact N-O 2.94Å; M349-T356 PolarHBondContact O-N 3.27Å; M349-T356 VanDerWaalsContact O-N 3.1Å; N351-T356 PolarHBondContact ND2-OG1 2.84Å
357	Y	97.4	Very high	94.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.7	-176	-62.6	-100.2	0	0	0	111.1	Q338 I339 L341 A348 V355 A361 L362 V380 I381 E384	Q338-Y357 HydrophobicContact CB-CD2 4.31Å; Q338-Y357 HydrophobicContact CB-CE2 3.66Å; Q338-Y357 HydrophobicContact CG-CE2 3.79Å; Q338-Y357 PolarHBondContact OE1-OH 3.19Å; I339-Y357 PolarHBondContact O-N 3.06Å; L341-Y357 PolarHBondContact N-O 3.3Å; A348-Y357 HydrophobicContact CB-CD1 3.44Å; A348-Y357 VanDerWaalsContact CB-CD1 3.44Å; A348-Y357 HydrophobicContact CB-CE1 3.79Å; A348-Y357 HydrophobicContact CB-CG 4.02Å; V355-Y357 HydrophobicContact CB-CD2 4.5Å; V355-Y357 HydrophobicContact CB-CE2 3.65Å; V355-Y357 HydrophobicContact CG1-CD2 4.04Å; V355-Y357 HydrophobicContact CG1-CE1 4.23Å; V355-Y357 HydrophobicContact CG1-CE2 3.26Å; V355-Y357 WeakPolarHBondContact CG1-OH 3.45Å; Y357-A361 HydrophobicContact CD1-CB 4.22Å; Y357-L362 HydrophobicContact CD1-CB 4.29Å; Y357-L362 HydrophobicContact CD1-CD1 4.39Å; Y357-L362 HydrophobicContact CD2-CB 4.28Å; Y357-L362 HydrophobicContact CD2-CD1 3.95Å; Y357-L362 HydrophobicContact CD2-CD2 3.8Å; Y357-L362 HydrophobicContact CD2-CG 4.24Å; Y357-L362 HydrophobicContact CE1-CD1 4.38Å; Y357-L362 HydrophobicContact CE2-CD1 3.91Å; Y357-L362 HydrophobicContact CE2-CD2 4.38Å; Y357-L362 HydrophobicContact CG-CB 3.88Å; Y357-L362 HydrophobicContact CG-CD1 4.19Å; Y357-L362 HydrophobicContact CG-CD2 4.24Å; Y357-L362 HydrophobicContact CG-CG 4.33Å; Y357-V380 HydrophobicContact CD1-CG1 3.95Å; Y357-V380 HydrophobicContact CE1-CG1 3.85Å; Y357-I381 HydrophobicContact CE1-CG1 4.2Å; Y357-E384 HydrophobicContact CE1-CB 4.44Å; Y357-E384 HydrophobicContact CE1-CG 3.7Å
358	R	92.6	Very high	94.5	Very high	54 Å²	54	21.4 Å²	21.4	20%	0.204	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	147.9	153.2	-72.2	-178.9	-178	-132.2	-1.6	109.5	F344 N345 A346 G347 T360 A361 L362	F344-R358 HydrophobicContact CB-CG 3.9Å; F344-R358 HydrophobicContact CD1-CG 4.05Å; F344-R358 HydrophobicContact CG-CG 4.49Å; F344-R358 VanDerWaalsContact O-CG 3.3Å; F344-R358 WeakPolarHBondContact O-CG 3.37Å; F344-R358 PolarHBondContact O-NE 2.93Å; F344-R358 PolarHBondContact O-NH2 2.64Å; N345-R358 PolarHBondContact O-NH2 3.1Å; A346-R358 WeakPolarHBondContact O-CD 3.08Å; A346-R358 WeakPolarHBondContact O-CG 3.34Å; A346-R358 PolarHBondContact O-NE 3.5Å; G347-R358 PolarHBondContact O-N 3.01Å; R358-T360 PolarHBondContact O-N 2.95Å; R358-T360 VanDerWaalsContact O-N 3.12Å; R358-A361 HydrophobicContact CB-CB 4.46Å; R358-A361 PolarHBondContact O-N 3.34Å; R358-L362 PolarHBondContact O-N 2.94Å
359	E	92.9	Very high	94.2	Very high	8 Å²	8	20.8 Å²	20.8	4%	0.037	11%	0.112	C	C	.	.	H	α-helix	trans	-50.5	-40.5	172.5	-67.5	-164.1	149.8	0	0	112.7	R300 A340 L341 A361 L362 L363 A818	R300-E359 IonicContact CZ-OE1 3.81Å; R300-E359 VanDerWaalsContact CZ-OE1 3.3Å; R300-E359 IonicContact CZ-OE2 2.72Å; R300-E359 IonicContact NE-OE1 2.83Å; R300-E359 PolarHBondContact NE-OE1 2.89Å; R300-E359 IonicContact NE-OE2 2.67Å; R300-E359 IonicContact NH2-OE1 3.53Å; R300-E359 PolarHBondContact NH2-OE1 3.46Å; R300-E359 IonicContact NH2-OE2 3.51Å; R300-E359 PolarHBondContact NH2-OE2 3.19Å; A340-E359 HydrophobicContact CB-CG 4.27Å; L341-E359 PolarHBondContact O-N 3.15Å; E359-A361 PolarHBondContact O-N 3.36Å; E359-A361 VanDerWaalsContact O-N 3.13Å; E359-L362 PolarHBondContact O-N 2.95Å; E359-L363 HydrophobicContact CB-CD1 4.04Å; E359-L363 HydrophobicContact CG-CD1 4.12Å; E359-L363 WeakPolarHBondContact O-CB 3.34Å; E359-L363 PolarHBondContact O-N 3.36Å; E359-A818 HydrophobicContact CB-CB 3.85Å
360	T	90.9	Very high	94	Very high	32 Å²	32	21.6 Å²	21.6	20%	0.196	12%	0.117	C	C	.	.	H	α-helix	trans	-67.5	-8.7	178.7	56.6	0	0	0	0	115.4	R358 A818	R358-T360 PolarHBondContact O-N 2.95Å; R358-T360 VanDerWaalsContact O-N 3.12Å; T360-A818 HydrophobicContact CG2-CB 3.65Å
361	A	95.4	Very high	93.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-110.1	-5.8	-178.4	0	0	0	0	0	113.2	Y357 R358 E359 V380	Y357-A361 HydrophobicContact CD1-CB 4.22Å; R358-A361 HydrophobicContact CB-CB 4.46Å; R358-A361 PolarHBondContact O-N 3.34Å; E359-A361 PolarHBondContact O-N 3.36Å; E359-A361 VanDerWaalsContact O-N 3.13Å; A361-V380 HydrophobicContact CB-CG1 4.22Å
362	L	97.1	Very high	93.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-129	-32.1	179.3	-170.2	67.1	0	0	0	113.1	I297 A312 Q338 A340 Y357 R358 E359 I381	I297-L362 HydrophobicContact CG2-CD2 4Å; I297-L362 HydrophobicContact CG2-CG 4.27Å; A312-L362 HydrophobicContact CB-CD1 3.66Å; A312-L362 HydrophobicContact CB-CG 4.2Å; A312-L362 WeakPolarHBondContact CB-O 3.36Å; Q338-L362 HydrophobicContact CB-CD1 4.19Å; Q338-L362 HydrophobicContact CB-CD2 4.18Å; A340-L362 HydrophobicContact CB-CB 4.25Å; A340-L362 HydrophobicContact CB-CD2 3.88Å; Y357-L362 HydrophobicContact CD1-CB 4.29Å; Y357-L362 HydrophobicContact CD1-CD1 4.39Å; Y357-L362 HydrophobicContact CD2-CB 4.28Å; Y357-L362 HydrophobicContact CD2-CD1 3.95Å; Y357-L362 HydrophobicContact CD2-CD2 3.8Å; Y357-L362 HydrophobicContact CD2-CG 4.24Å; Y357-L362 HydrophobicContact CE1-CD1 4.38Å; Y357-L362 HydrophobicContact CE2-CD1 3.91Å; Y357-L362 HydrophobicContact CE2-CD2 4.38Å; Y357-L362 HydrophobicContact CG-CB 3.88Å; Y357-L362 HydrophobicContact CG-CD1 4.19Å; Y357-L362 HydrophobicContact CG-CD2 4.24Å; Y357-L362 HydrophobicContact CG-CG 4.33Å; R358-L362 PolarHBondContact O-N 2.94Å; E359-L362 PolarHBondContact O-N 2.95Å; L362-I381 HydrophobicContact CD1-CD1 3.97Å; L362-I381 HydrophobicContact CD1-CG1 4.04Å
363	L	95.8	Very high	93.2	Very high	6 Å²	6	23.9 Å²	23.9	3%	0.031	13%	0.134	C	C	.	.			trans	-93.3	133	-176.1	-58.3	-178	0	0	0	111.4	A299 A303 Q308 A340 E359	A299-L363 HydrophobicContact CB-CD1 4.42Å; A299-L363 HydrophobicContact CB-CD2 3.92Å; A303-L363 HydrophobicContact CB-CD1 3.87Å; Q308-L363 HydrophobicContact CB-CB 4.09Å; Q308-L363 HydrophobicContact CB-CD2 4.27Å; Q308-L363 WeakPolarHBondContact O-CA 3.48Å; A340-L363 HydrophobicContact CB-CD1 4.01Å; A340-L363 HydrophobicContact CB-CD2 4.05Å; A340-L363 HydrophobicContact CB-CG 3.82Å; E359-L363 HydrophobicContact CB-CD1 4.04Å; E359-L363 HydrophobicContact CG-CD1 4.12Å; E359-L363 WeakPolarHBondContact O-CB 3.34Å; E359-L363 PolarHBondContact O-N 3.36Å
364	Y	95.1	Very high	93.1	Very high	39 Å²	39	26 Å²	26	15%	0.153	14%	0.143	C	C	.	.			trans	-137.6	125.5	-179.5	174.6	-97.9	0	0	0	111.3	Q308 Y311 S369 K374	Q308-Y364 VanDerWaalsContact CA-O 3.3Å; Q308-Y364 WeakPolarHBondContact CA-O 3.48Å; Q308-Y364 PolarHBondContact O-N 3.16Å; Y311-Y364 HydrophobicContact CD1-CD1 4.42Å; Y311-Y364 HydrophobicContact CD1-CG 4.35Å; Y311-Y364 HydrophobicContact CG-CD1 4.15Å; Y364-S369 VanDerWaalsContact CD2-CB 3.5Å; Y364-S369 VanDerWaalsContact CE2-CB 3.46Å; Y364-K374 HydrophobicContact CD2-CB 3.9Å; Y364-K374 HydrophobicContact CD2-CG 4.1Å; Y364-K374 HydrophobicContact CE1-CD 4.33Å; Y364-K374 HydrophobicContact CE1-CG 4.26Å; Y364-K374 HydrophobicContact CE2-CB 3.44Å; Y364-K374 VanDerWaalsContact CE2-CB 3.44Å; Y364-K374 HydrophobicContact CE2-CD 4.29Å; Y364-K374 HydrophobicContact CE2-CG 3.74Å
365	D	92.2	Very high	93	Very high	21 Å²	21	26.5 Å²	26.5	11%	0.112	15%	0.146	C	C	.	.			trans	-110.8	120.9	174.7	-177.1	-60.5	0	0	0	109.7	Q308 N367 L368 S369 L817	Q308-D365 HydrophobicContact CG-CB 4.3Å; D365-N367 PolarHBondContact O-N 2.87Å; D365-N367 WeakPolarHBondContact OD1-CA 3.48Å; D365-N367 WeakPolarHBondContact OD1-CB 3.4Å; D365-N367 PolarHBondContact OD1-N 3.35Å; D365-L368 HydrophobicContact CB-CB 4.19Å; D365-L368 PolarHBondContact O-N 2.03Å; D365-L368 PolarHBondContact OD1-N 2.92Å; D365-S369 PolarHBondContact N-OG 3.05Å; D365-S369 WeakPolarHBondContact O-CA 3.38Å; D365-S369 WeakPolarHBondContact O-CB 3.28Å; D365-S369 PolarHBondContact O-N 3.47Å; D365-S369 PolarHBondContact O-OG 2.86Å; D365-S369 VanDerWaalsContact O-OG 3.05Å; D365-L817 HydrophobicContact CB-CD1 4.45Å; D365-L817 HydrophobicContact CB-CD2 3.91Å
366	S	86.9	Confident	92.9	Very high	84 Å²	84	31.8 Å²	31.8	59%	0.587	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-20.2	-175.1	58.9	0	0	0	0	114.9
367	N	83	Confident	92.9	Very high	131 Å²	131	31.8 Å²	31.8	70%	0.701	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-29.3	-179.6	-61	-37.9	0	0	0	111.7	D365	D365-N367 PolarHBondContact O-N 2.87Å; D365-N367 WeakPolarHBondContact OD1-CA 3.48Å; D365-N367 WeakPolarHBondContact OD1-CB 3.4Å; D365-N367 PolarHBondContact OD1-N 3.35Å
368	L	84.4	Confident	92.9	Very high	55 Å²	55	31.8 Å²	31.8	29%	0.288	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	-34.3	-173.9	-61.8	178.8	0	0	0	114	D365 L817 R823	D365-L368 HydrophobicContact CB-CB 4.19Å; D365-L368 PolarHBondContact O-N 2.03Å; D365-L368 PolarHBondContact OD1-N 2.92Å; L368-L817 HydrophobicContact CB-CD2 3.61Å; L368-L817 HydrophobicContact CD1-CD2 4.04Å; L368-L817 HydrophobicContact CG-CD2 4.49Å; L368-R823 PolarHBondContact O-NH1 3.43Å
369	S	88.9	Confident	93.2	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	16%	0.16	C	C	.	.			trans	-83.4	148.9	-173.8	-53.1	0	0	0	0	111.5	Y364 D365 S786	Y364-S369 VanDerWaalsContact CD2-CB 3.5Å; Y364-S369 VanDerWaalsContact CE2-CB 3.46Å; D365-S369 PolarHBondContact N-OG 3.05Å; D365-S369 WeakPolarHBondContact O-CA 3.38Å; D365-S369 WeakPolarHBondContact O-CB 3.28Å; D365-S369 PolarHBondContact O-N 3.47Å; D365-S369 PolarHBondContact O-OG 2.86Å; D365-S369 VanDerWaalsContact O-OG 3.05Å; S369-S786 VanDerWaalsContact O-CB 3.23Å; S369-S786 WeakPolarHBondContact O-CB 3.41Å; S369-S786 PolarHBondContact O-OG 2.99Å
370	S	91.9	Very high	93.4	Very high	16 Å²	16	30.5 Å²	30.5	11%	0.112	17%	0.165	C	C	.	.			trans	-88.1	167	178.8	55.6	0	0	0	0	110.2	G372 N373 K374 D787 R823	S370-G372 PolarHBondContact O-N 3.14Å; S370-N373 PolarHBondContact N-OD1 3.03Å; S370-N373 WeakPolarHBondContact O-CA 3.46Å; S370-N373 WeakPolarHBondContact O-CB 3.3Å; S370-N373 PolarHBondContact O-N 3.5Å; S370-N373 PolarHBondContact OG-N 3.05Å; S370-N373 PolarHBondContact OG-OD1 3.26Å; S370-K374 PolarHBondContact O-N 3.48Å; S370-D787 WeakPolarHBondContact CA-OD1 3.23Å; S370-D787 WeakPolarHBondContact CB-OD1 3.31Å; S370-R823 PolarHBondContact OG-NH2 3.15Å
371	T	93.1	Very high	93.8	Very high	9 Å²	9	29 Å²	29	6%	0.055	16%	0.155	C	C	.	.	H	α-helix	trans	-49.9	-44	168	-161	0	0	0	0	112.5	N373 K374 E375 H743 Q746 Y747 I750 D787	T371-N373 VanDerWaalsContact C-N 3.28Å; T371-N373 PolarHBondContact O-N 3.13Å; T371-K374 WeakPolarHBondContact O-CA 3.46Å; T371-K374 WeakPolarHBondContact O-CB 3.32Å; T371-K374 PolarHBondContact O-N 3.34Å; T371-E375 PolarHBondContact O-N 2.71Å; T371-H743 PolarHBondContact OG1-CE1 3.33Å; T371-H743 PolarHBondContact OG1-ND1 3.22Å; T371-Q746 HydrophobicContact CG2-CB 3.82Å; T371-Q746 PolarHBondContact OG1-OE1 2.77Å; T371-Y747 HydrophobicContact CG2-CD2 4Å; T371-Y747 HydrophobicContact CG2-CE2 3.94Å; T371-I750 HydrophobicContact CG2-CD1 4.34Å; T371-D787 WeakPolarHBondContact CB-OD1 3.43Å; T371-D787 PolarHBondContact N-OD1 2.92Å
372	G	93.3	Very high	94	Very high	18 Å²	18	29 Å²	29	19%	0.186	16%	0.155	C	C	.	.	H	α-helix	trans	-68.5	-23.6	176.3	0	0	0	0	0	114.4	S370 R376 Y747	S370-G372 PolarHBondContact O-N 3.14Å; G372-R376 VanDerWaalsContact O-CB 3.29Å; G372-R376 WeakPolarHBondContact O-CB 3.37Å; G372-R376 PolarHBondContact O-N 3.39Å; G372-R376 VanDerWaalsContact O-N 3.09Å; G372-Y747 VanDerWaalsContact CA-OH 3.22Å; G372-Y747 WeakPolarHBondContact CA-OH 3.49Å
373	N	93.3	Very high	94.1	Very high	27 Å²	27	29.8 Å²	29.8	14%	0.144	16%	0.159	C	C	.	.	H	α-helix	trans	-74	-40.6	168.7	-65.7	128.2	0	0	0	111.3	S370 T371 R376 V377 R823	S370-N373 PolarHBondContact N-OD1 3.03Å; S370-N373 WeakPolarHBondContact O-CA 3.46Å; S370-N373 WeakPolarHBondContact O-CB 3.3Å; S370-N373 PolarHBondContact O-N 3.5Å; S370-N373 PolarHBondContact OG-N 3.05Å; S370-N373 PolarHBondContact OG-OD1 3.26Å; T371-N373 VanDerWaalsContact C-N 3.28Å; T371-N373 PolarHBondContact O-N 3.13Å; N373-R376 PolarHBondContact O-N 3.16Å; N373-V377 WeakPolarHBondContact O-CG2 3.32Å; N373-V377 PolarHBondContact O-N 3.34Å; N373-R823 PolarHBondContact OD1-NH2 3.03Å
374	K	95.6	Very high	94.2	Very high	44 Å²	44	30 Å²	30	19%	0.191	16%	0.159	C	C	.	.	H	α-helix	trans	-59.8	-48.2	175.7	-158.4	-176.8	168.7	-154.5	0	110.9	Y311 Y364 S370 T371 R376 V377 A378 E421 W424	Y311-K374 HydrophobicContact CD1-CG 4.06Å; Y311-K374 HydrophobicContact CE1-CG 3.56Å; Y311-K374 HydrophobicContact CE2-CD 4.35Å; Y311-K374 HydrophobicContact CE2-CG 4.24Å; Y311-K374 WeakPolarHBondContact OH-CE 3.39Å; Y364-K374 HydrophobicContact CD2-CB 3.9Å; Y364-K374 HydrophobicContact CD2-CG 4.1Å; Y364-K374 HydrophobicContact CE1-CD 4.33Å; Y364-K374 HydrophobicContact CE1-CG 4.26Å; Y364-K374 HydrophobicContact CE2-CB 3.44Å; Y364-K374 VanDerWaalsContact CE2-CB 3.44Å; Y364-K374 HydrophobicContact CE2-CD 4.29Å; Y364-K374 HydrophobicContact CE2-CG 3.74Å; S370-K374 PolarHBondContact O-N 3.48Å; T371-K374 WeakPolarHBondContact O-CA 3.46Å; T371-K374 WeakPolarHBondContact O-CB 3.32Å; T371-K374 PolarHBondContact O-N 3.34Å; K374-R376 PolarHBondContact O-N 2.83Å; K374-V377 PolarHBondContact O-N 2.83Å; K374-A378 PolarHBondContact O-N 3.26Å; K374-E421 VanDerWaalsContact CE-OE1 3.26Å; K374-E421 WeakPolarHBondContact CE-OE1 3.33Å; K374-E421 IonicContact NZ-OE1 3.8Å; K374-E421 PolarHBondContact NZ-OE1 2.97Å; K374-E421 IonicContact NZ-OE2 2.69Å; K374-W424 HydrophobicContact CB-CH2 4.36Å; K374-W424 HydrophobicContact CD-CH2 4.22Å; K374-W424 HydrophobicContact CD-CZ2 3.87Å; K374-W424 HydrophobicContact CG-CH2 4.04Å; K374-W424 HydrophobicContact CG-CZ2 4.21Å
375	E	97	Very high	94.4	Very high	12 Å²	12	28.1 Å²	28.1	6%	0.056	15%	0.152	C	C	.	.	H	α-helix	trans	-59	-47.3	175.2	-177.3	-171.7	128.3	0	0	111.9	T371 V377 A378 T379 W424 I426 Y429 Y433 H743 Y747	T371-E375 PolarHBondContact O-N 2.71Å; E375-V377 VanDerWaalsContact C-N 3.3Å; E375-V377 PolarHBondContact O-N 3.1Å; E375-A378 PolarHBondContact O-N 2.95Å; E375-T379 HydrophobicContact CG-CG2 4.09Å; E375-T379 WeakPolarHBondContact O-CB 3.5Å; E375-T379 WeakPolarHBondContact O-CG2 3.49Å; E375-T379 PolarHBondContact O-N 3.32Å; E375-T379 PolarHBondContact O-OG1 2.85Å; E375-W424 HydrophobicContact CB-CZ3 4.02Å; E375-W424 HydrophobicContact CG-CZ3 4.27Å; E375-I426 HydrophobicContact CG-CD1 3.7Å; E375-Y429 WeakPolarHBondContact OE2-CE2 3.35Å; E375-Y433 WeakPolarHBondContact OE1-CE2 3.2Å; E375-H743 IonicContact OE2-CD2 3.58Å; E375-H743 IonicContact OE2-CE1 3.61Å; E375-H743 IonicContact OE2-NE2 2.8Å; E375-H743 PolarHBondContact OE2-NE2 2.87Å; E375-Y747 PolarHBondContact OE1-OH 2.9Å; E375-Y747 WeakPolarHBondContact OE2-CE2 3.4Å; E375-Y747 PolarHBondContact OE2-OH 3.48Å
376	R	95.9	Very high	94.7	Very high	110 Å²	110	27.1 Å²	27.1	42%	0.415	15%	0.147	S	C	.	.	H	α-helix	trans	-58.4	-42.1	177.4	-178.4	177.8	-179.9	80.2	5.9	112.1	G372 N373 K374 T379 V380	G372-R376 VanDerWaalsContact O-CB 3.29Å; G372-R376 WeakPolarHBondContact O-CB 3.37Å; G372-R376 PolarHBondContact O-N 3.39Å; G372-R376 VanDerWaalsContact O-N 3.09Å; N373-R376 PolarHBondContact O-N 3.16Å; K374-R376 PolarHBondContact O-N 2.83Å; R376-T379 WeakPolarHBondContact CA-OG1 3.38Å; R376-T379 PolarHBondContact O-OG1 3.48Å; R376-V380 HydrophobicContact CG-CG2 4.19Å; R376-V380 WeakPolarHBondContact O-CB 3.36Å; R376-V380 WeakPolarHBondContact O-CG2 3.24Å; R376-V380 PolarHBondContact O-N 3.29Å
377	V	97.6	Very high	95.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.2	-47.7	177.5	170.5	0	0	0	0	110.3	Y311 N373 K374 E375 I381	Y311-V377 HydrophobicContact CD1-CB 4.34Å; Y311-V377 HydrophobicContact CD1-CG1 3.87Å; Y311-V377 HydrophobicContact CE1-CB 4.43Å; Y311-V377 HydrophobicContact CE1-CG1 4.24Å; N373-V377 WeakPolarHBondContact O-CG2 3.32Å; N373-V377 PolarHBondContact O-N 3.34Å; K374-V377 PolarHBondContact O-N 2.83Å; E375-V377 VanDerWaalsContact C-N 3.3Å; E375-V377 PolarHBondContact O-N 3.1Å; V377-I381 HydrophobicContact CG1-CD1 3.62Å; V377-I381 HydrophobicContact CG1-CG1 4.45Å; V377-I381 WeakPolarHBondContact O-CB 3.25Å; V377-I381 WeakPolarHBondContact O-CD1 3.48Å; V377-I381 WeakPolarHBondContact O-CG1 3.43Å; V377-I381 PolarHBondContact O-N 3.31Å
378	A	98.4	Very high	96	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.9	-47.4	-179.8	0	0	0	0	0	112.7	Y311 K374 E375 I381 S382 V417 W424	Y311-A378 HydrophobicContact CE1-CB 4.14Å; K374-A378 PolarHBondContact O-N 3.26Å; E375-A378 PolarHBondContact O-N 2.95Å; A378-I381 PolarHBondContact O-N 2.83Å; A378-S382 WeakPolarHBondContact O-CB 3.29Å; A378-S382 PolarHBondContact O-N 3.42Å; A378-V417 VanDerWaalsContact C-CG2 3.45Å; A378-V417 HydrophobicContact CB-CG1 4.06Å; A378-V417 HydrophobicContact CB-CG2 3.92Å; A378-V417 WeakPolarHBondContact O-CG2 3.32Å; A378-W424 HydrophobicContact CB-CH2 4.32Å; A378-W424 HydrophobicContact CB-CZ3 4.07Å
379	T	98.3	Very high	96.6	Very high	13 Å²	13	14.3 Å²	14.3	8%	0.08	7%	0.072	C	C	.	.	H	α-helix	trans	-64.3	-46.6	-179.3	47.5	0	0	0	0	111.9	E375 R376 S382 H383 V417 I426	E375-T379 HydrophobicContact CG-CG2 4.09Å; E375-T379 WeakPolarHBondContact O-CB 3.5Å; E375-T379 WeakPolarHBondContact O-CG2 3.49Å; E375-T379 PolarHBondContact O-N 3.32Å; E375-T379 PolarHBondContact O-OG1 2.85Å; R376-T379 WeakPolarHBondContact CA-OG1 3.38Å; R376-T379 PolarHBondContact O-OG1 3.48Å; T379-S382 PolarHBondContact O-N 2.97Å; T379-H383 WeakPolarHBondContact O-CB 3.34Å; T379-H383 PolarHBondContact O-N 3.39Å; T379-V417 HydrophobicContact CG2-CG2 3.92Å; T379-I426 HydrophobicContact CG2-CG1 4.48Å
380	V	98.4	Very high	97	Very high	23 Å²	23	14.4 Å²	14.4	14%	0.139	7%	0.072	C	C	.	.	H	α-helix	trans	-66.5	-42.6	178.2	-178.1	0	0	0	0	110.8	A348 Y357 A361 R376 S382 H383 E384	A348-V380 HydrophobicContact CB-CG1 3.62Å; Y357-V380 HydrophobicContact CD1-CG1 3.95Å; Y357-V380 HydrophobicContact CE1-CG1 3.85Å; A361-V380 HydrophobicContact CB-CG1 4.22Å; R376-V380 HydrophobicContact CG-CG2 4.19Å; R376-V380 WeakPolarHBondContact O-CB 3.36Å; R376-V380 WeakPolarHBondContact O-CG2 3.24Å; R376-V380 PolarHBondContact O-N 3.29Å; V380-S382 VanDerWaalsContact C-N 3.29Å; V380-S382 PolarHBondContact O-N 3.26Å; V380-H383 WeakPolarHBondContact O-CB 3.2Å; V380-H383 PolarHBondContact O-N 2.98Å; V380-E384 HydrophobicContact CG1-CG 4.25Å; V380-E384 VanDerWaalsContact O-CG 3.32Å; V380-E384 WeakPolarHBondContact O-CG 3.37Å; V380-E384 PolarHBondContact O-N 3.01Å
381	I	98.8	Very high	97.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-57.6	-45.2	173.2	-70.4	169.1	0	0	0	110.6	A312 V315 I319 Y357 L362 V377 A378 H383 E384 L385	A312-I381 HydrophobicContact CB-CD1 3.55Å; V315-I381 HydrophobicContact CG2-CD1 3.93Å; V315-I381 HydrophobicContact CG2-CG2 4.36Å; I319-I381 HydrophobicContact CD1-CG2 4.12Å; Y357-I381 HydrophobicContact CE1-CG1 4.2Å; L362-I381 HydrophobicContact CD1-CD1 3.97Å; L362-I381 HydrophobicContact CD1-CG1 4.04Å; V377-I381 HydrophobicContact CG1-CD1 3.62Å; V377-I381 HydrophobicContact CG1-CG1 4.45Å; V377-I381 WeakPolarHBondContact O-CB 3.25Å; V377-I381 WeakPolarHBondContact O-CD1 3.48Å; V377-I381 WeakPolarHBondContact O-CG1 3.43Å; V377-I381 PolarHBondContact O-N 3.31Å; A378-I381 PolarHBondContact O-N 2.83Å; I381-H383 VanDerWaalsContact C-N 3.33Å; I381-H383 PolarHBondContact O-N 3.25Å; I381-E384 PolarHBondContact O-N 2.91Å; I381-L385 HydrophobicContact CG2-CD1 3.54Å; I381-L385 HydrophobicContact CG2-CG 4.16Å; I381-L385 WeakPolarHBondContact O-CB 3.23Å; I381-L385 WeakPolarHBondContact O-CG 3.36Å; I381-L385 PolarHBondContact O-N 2.98Å
382	S	98.8	Very high	97.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.8	-41.9	178.6	-156.6	0	0	0	0	112.5	Y323 A378 T379 V380 L385 A386 E413 G416	Y323-S382 WeakPolarHBondContact CE2-O 3.48Å; Y323-S382 PolarHBondContact OH-O 2.9Å; Y323-S382 PolarHBondContact OH-OG 2.97Å; A378-S382 WeakPolarHBondContact O-CB 3.29Å; A378-S382 PolarHBondContact O-N 3.42Å; T379-S382 PolarHBondContact O-N 2.97Å; V380-S382 VanDerWaalsContact C-N 3.29Å; V380-S382 PolarHBondContact O-N 3.26Å; S382-L385 PolarHBondContact O-N 3.12Å; S382-A386 WeakPolarHBondContact O-CB 3.19Å; S382-A386 PolarHBondContact O-N 3.07Å; S382-E413 WeakPolarHBondContact CB-O 3.37Å; S382-E413 PolarHBondContact OG-O 2.98Å; S382-G416 VanDerWaalsContact OG-CA 3.31Å; S382-G416 WeakPolarHBondContact OG-CA 3.38Å
383	H	98.8	Very high	97.8	Very high	16 Å²	16	12.8 Å²	12.8	7%	0.074	6%	0.058	C	C	.	.	H	α-helix	trans	-58.1	-54.3	175.7	-170.5	101.9	0	0	0	111.8	T379 V380 I381 L385 A386 H387 E406 S410 E413	T379-H383 WeakPolarHBondContact O-CB 3.34Å; T379-H383 PolarHBondContact O-N 3.39Å; V380-H383 WeakPolarHBondContact O-CB 3.2Å; V380-H383 PolarHBondContact O-N 2.98Å; I381-H383 VanDerWaalsContact C-N 3.33Å; I381-H383 PolarHBondContact O-N 3.25Å; H383-L385 VanDerWaalsContact C-N 3.31Å; H383-L385 PolarHBondContact O-N 3.48Å; H383-A386 WeakPolarHBondContact O-CB 3.4Å; H383-A386 PolarHBondContact O-N 2.97Å; H383-H387 AromaticContact CD2-CD2 3.68Å; H383-H387 AromaticContact CD2-NE2 3.45Å; H383-H387 PolarHBondContact CD2-NE2 3.5Å; H383-H387 AromaticContact NE2-CD2 3.97Å; H383-H387 AromaticContact NE2-NE2 3.23Å; H383-H387 PolarHBondContact NE2-NE2 3.02Å; H383-H387 PolarHBondContact O-CD2 3.14Å; H383-H387 PolarHBondContact O-N 3.06Å; H383-E406 IonicContact NE2-OE2 3.09Å; H383-S410 PolarHBondContact CE1-N 3.42Å; H383-S410 PolarHBondContact CE1-OG 3.36Å; H383-E413 HydrophobicContact CB-CB 4.11Å; H383-E413 IonicContact CE1-OE2 2.74Å; H383-E413 IonicContact CG-OE2 2.79Å; H383-E413 IonicContact ND1-OE2 2.68Å; H383-E413 PolarHBondContact ND1-OE2 3.06Å
384	E	98.7	Very high	98	Very high	10 Å²	10	11.6 Å²	11.6	5%	0.047	5%	0.052	C	C	.	.	H	α-helix	trans	-65.3	-35.2	-178.4	-58.5	-51.7	134.6	0	0	112.3	A348 M349 E350 V355 Y357 V380 I381 H387 M388	A348-E384 VanDerWaalsContact CB-CD 3.42Å; A348-E384 HydrophobicContact CB-CG 3.59Å; A348-E384 VanDerWaalsContact CB-OE1 3.28Å; A348-E384 WeakPolarHBondContact CB-OE1 3.24Å; M349-E384 WeakPolarHBondContact CA-OE2 3.45Å; M349-E384 PolarHBondContact N-OE2 3.28Å; E350-E384 VanDerWaalsContact CA-OE2 3.31Å; E350-E384 WeakPolarHBondContact CA-OE2 3.3Å; E350-E384 WeakPolarHBondContact CB-OE2 3.21Å; E350-E384 PolarHBondContact N-OE2 3.04Å; V355-E384 HydrophobicContact CG1-CB 3.53Å; V355-E384 HydrophobicContact CG1-CG 3.64Å; Y357-E384 HydrophobicContact CE1-CB 4.44Å; Y357-E384 HydrophobicContact CE1-CG 3.7Å; V380-E384 HydrophobicContact CG1-CG 4.25Å; V380-E384 VanDerWaalsContact O-CG 3.32Å; V380-E384 WeakPolarHBondContact O-CG 3.37Å; V380-E384 PolarHBondContact O-N 3.01Å; I381-E384 PolarHBondContact O-N 2.91Å; E384-H387 WeakPolarHBondContact O-CB 3.4Å; E384-H387 PolarHBondContact O-N 3.02Å; E384-M388 WeakPolarHBondContact O-CE 3.43Å
385	L	98.7	Very high	98.2	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-71.8	-31.2	176.8	-65.7	176	0	0	0	112.2	T316 I319 L320 Y323 I381 S382 H383 H387 M388 W389	T316-L385 HydrophobicContact CG2-CD1 4.1Å; I319-L385 HydrophobicContact CB-CD1 3.97Å; I319-L385 HydrophobicContact CG2-CB 4.1Å; I319-L385 HydrophobicContact CG2-CD1 3.62Å; L320-L385 HydrophobicContact CD1-CD2 4.47Å; L320-L385 HydrophobicContact CD2-CB 4.44Å; L320-L385 HydrophobicContact CD2-CD2 3.92Å; L320-L385 HydrophobicContact CG-CD1 4.17Å; L320-L385 HydrophobicContact CG-CD2 4.12Å; Y323-L385 HydrophobicContact CD2-CB 4.27Å; Y323-L385 HydrophobicContact CE2-CB 4.19Å; I381-L385 HydrophobicContact CG2-CD1 3.54Å; I381-L385 HydrophobicContact CG2-CG 4.16Å; I381-L385 WeakPolarHBondContact O-CB 3.23Å; I381-L385 WeakPolarHBondContact O-CG 3.36Å; I381-L385 PolarHBondContact O-N 2.98Å; S382-L385 PolarHBondContact O-N 3.12Å; H383-L385 VanDerWaalsContact C-N 3.31Å; H383-L385 PolarHBondContact O-N 3.48Å; L385-H387 VanDerWaalsContact C-N 3.25Å; L385-H387 PolarHBondContact O-N 2.97Å; L385-M388 WeakPolarHBondContact O-CB 3.39Å; L385-M388 VanDerWaalsContact O-CG 3.27Å; L385-M388 WeakPolarHBondContact O-CG 3.39Å; L385-M388 PolarHBondContact O-N 3.19Å; L385-W389 WeakPolarHBondContact O-CZ3 3.33Å
386	A	98.6	Very high	98.2	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-61.2	-36.8	172.5	0	0	0	0	0	111.9	Y323 S382 H383 M388 W389 F390 A409 V412	Y323-A386 HydrophobicContact CE1-CB 4.18Å; Y323-A386 HydrophobicContact CE2-CB 4.03Å; S382-A386 WeakPolarHBondContact O-CB 3.19Å; S382-A386 PolarHBondContact O-N 3.07Å; H383-A386 WeakPolarHBondContact O-CB 3.4Å; H383-A386 PolarHBondContact O-N 2.97Å; A386-M388 PolarHBondContact O-N 3.3Å; A386-W389 PolarHBondContact O-N 2.96Å; A386-W389 VanDerWaalsContact O-N 3.08Å; A386-F390 PolarHBondContact O-N 3.49Å; A386-F390 VanDerWaalsContact O-N 3.1Å; A386-A409 HydrophobicContact CB-CB 4.24Å; A386-V412 HydrophobicContact CB-CG2 3.44Å; A386-V412 VanDerWaalsContact CB-CG2 3.44Å
387	H	98.7	Very high	98.3	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.7	178.3	-78.2	-55.2	0	0	0	114.7	E350 H383 E384 L385 W389 F390 N392 E406 A409	E350-H387 HydrophobicContact CB-CB 3.39Å; E350-H387 HydrophobicContact CG-CB 3.64Å; H383-H387 AromaticContact CD2-CD2 3.68Å; H383-H387 AromaticContact CD2-NE2 3.45Å; H383-H387 PolarHBondContact CD2-NE2 3.5Å; H383-H387 AromaticContact NE2-CD2 3.97Å; H383-H387 AromaticContact NE2-NE2 3.23Å; H383-H387 PolarHBondContact NE2-NE2 3.02Å; H383-H387 PolarHBondContact O-CD2 3.14Å; H383-H387 PolarHBondContact O-N 3.06Å; E384-H387 WeakPolarHBondContact O-CB 3.4Å; E384-H387 PolarHBondContact O-N 3.02Å; L385-H387 VanDerWaalsContact C-N 3.25Å; L385-H387 PolarHBondContact O-N 2.97Å; H387-W389 PolarHBondContact O-N 3.38Å; H387-F390 WeakPolarHBondContact CA-O 3Å; H387-F390 PolarHBondContact ND1-O 2.79Å; H387-F390 CarbonylContact O-C 3.53Å; H387-N392 VanDerWaalsContact O-CB 3.25Å; H387-N392 WeakPolarHBondContact O-CB 3.27Å; H387-N392 VanDerWaalsContact O-CG 3.24Å; H387-N392 PolarHBondContact O-N 2.56Å; H387-E406 IonicContact CE1-OE2 2.93Å; H387-E406 IonicContact NE2-OE2 3.47Å; H387-A409 WeakPolarHBondContact CE1-CB 3.43Å; H387-A409 VanDerWaalsContact NE2-CB 3.33Å; H387-A409 WeakPolarHBondContact NE2-CB 3.49Å
388	M	98.5	Very high	98.3	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-24.9	173.4	-55.8	-60.7	125.7	0	0	111.9	Y331 E350 W352 V355 E384 L385 A386 L393	Y331-M388 HydrophobicContact CD2-CB 4.06Å; Y331-M388 HydrophobicContact CD2-CG 4.27Å; Y331-M388 HydrophobicContact CE2-CB 3.99Å; Y331-M388 HydrophobicContact CE2-CG 3.82Å; Y331-M388 HydrophobicContact CE2-SD 3.97Å; E350-M388 HydrophobicContact CB-CE 4.25Å; E350-M388 WeakPolarHBondContact O-CE 3.45Å; W352-M388 VanDerWaalsContact CD1-SD 3.58Å; V355-M388 HydrophobicContact CG2-CE 3.51Å; E384-M388 WeakPolarHBondContact O-CE 3.43Å; L385-M388 WeakPolarHBondContact O-CB 3.39Å; L385-M388 VanDerWaalsContact O-CG 3.27Å; L385-M388 WeakPolarHBondContact O-CG 3.39Å; L385-M388 PolarHBondContact O-N 3.19Å; A386-M388 PolarHBondContact O-N 3.3Å; M388-L393 WeakPolarHBondContact O-CB 3.17Å; M388-L393 PolarHBondContact O-N 3.48Å
389	W	98.6	Very high	98.3	Very high	1 Å²	1	7.9 Å²	7.9	0%	0.004	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-58.5	170.2	-66.8	-98.5	0	0	0	112.2	L320 Y323 E324 Y327 A329 Y331 L385 A386 H387 G391 V394 L499	L320-W389 HydrophobicContact CD2-CH2 3.93Å; L320-W389 HydrophobicContact CD2-CZ3 4.08Å; Y323-W389 HydrophobicContact CD2-CZ3 4.41Å; Y323-W389 HydrophobicContact CG-CZ3 4.33Å; E324-W389 HydrophobicContact CG-CH2 4.04Å; E324-W389 HydrophobicContact CG-CZ2 3.66Å; Y327-W389 HydrophobicContact CD2-CB 3.89Å; Y327-W389 AromaticContact CD2-CD1 3.96Å; Y327-W389 AromaticContact CD2-CD2 3.75Å; Y327-W389 HydrophobicContact CD2-CD2 3.75Å; Y327-W389 HydrophobicContact CD2-CE3 4.17Å; Y327-W389 AromaticContact CD2-CG 3.59Å; Y327-W389 HydrophobicContact CD2-CG 3.59Å; Y327-W389 HydrophobicContact CE2-CB 4Å; Y327-W389 HydrophobicContact CE2-CD2 4.17Å; Y327-W389 HydrophobicContact CE2-CE3 4.21Å; Y327-W389 HydrophobicContact CE2-CG 4.08Å; Y327-W389 HydrophobicContact CG-CG 4.4Å; A329-W389 PolarHBondContact O-NE1 2.72Å; Y331-W389 HydrophobicContact CD2-CH2 4.31Å; L385-W389 WeakPolarHBondContact O-CZ3 3.33Å; A386-W389 PolarHBondContact O-N 2.96Å; A386-W389 VanDerWaalsContact O-N 3.08Å; H387-W389 PolarHBondContact O-N 3.38Å; W389-G391 PolarHBondContact O-N 3.17Å; W389-V394 PolarHBondContact O-N 3.42Å; W389-L499 HydrophobicContact CB-CD1 3.95Å; W389-L499 HydrophobicContact CB-CD2 4.1Å; W389-L499 HydrophobicContact CG-CD1 4.32Å
390	F	97.3	Very high	98.3	Very high	4 Å²	4	7.8 Å²	7.8	2%	0.018	4%	0.038	C	C	.	.	B	Isolated β-bridge	trans	-89.5	85.2	-178	-78.7	-89.3	0	0	0	111.6	Y327 A386 H387 F408 L495 Y498 L499	Y327-F390 AromaticContact CD1-CE2 3.88Å; Y327-F390 HydrophobicContact CD1-CE2 3.88Å; Y327-F390 AromaticContact CE1-CD2 3.92Å; Y327-F390 HydrophobicContact CE1-CD2 3.92Å; Y327-F390 AromaticContact CE1-CE2 3.35Å; Y327-F390 HydrophobicContact CE1-CE2 3.35Å; Y327-F390 HydrophobicContact CE1-CZ 4.41Å; Y327-F390 HydrophobicContact CE2-CD2 4.28Å; Y327-F390 HydrophobicContact CE2-CE2 4.42Å; Y327-F390 AromaticContact CZ-CD2 3.7Å; Y327-F390 AromaticContact CZ-CE2 3.66Å; A386-F390 PolarHBondContact O-N 3.49Å; A386-F390 VanDerWaalsContact O-N 3.1Å; H387-F390 WeakPolarHBondContact CA-O 3Å; H387-F390 PolarHBondContact ND1-O 2.79Å; H387-F390 CarbonylContact O-C 3.53Å; F390-F408 HydrophobicContact CB-CB 4.15Å; F390-F408 HydrophobicContact CD1-CB 3.95Å; F390-F408 AromaticContact CD1-CD1 3.92Å; F390-F408 HydrophobicContact CD1-CD1 3.92Å; F390-F408 HydrophobicContact CD1-CD2 4.06Å; F390-F408 HydrophobicContact CD1-CE1 4.45Å; F390-F408 AromaticContact CD1-CG 3.69Å; F390-F408 HydrophobicContact CD1-CG 3.69Å; F390-F408 AromaticContact CE1-CD1 3.73Å; F390-F408 HydrophobicContact CE1-CD1 3.73Å; F390-F408 HydrophobicContact CE1-CD2 4.2Å; F390-F408 AromaticContact CE1-CE1 3.84Å; F390-F408 HydrophobicContact CE1-CE1 3.84Å; F390-F408 HydrophobicContact CE1-CE2 4.28Å; F390-F408 AromaticContact CE1-CG 3.91Å; F390-F408 HydrophobicContact CE1-CG 3.91Å; F390-F408 HydrophobicContact CE1-CZ 4.09Å; F390-F408 HydrophobicContact CE2-CD1 4.39Å; F390-F408 HydrophobicContact CG-CB 4.02Å; F390-F408 HydrophobicContact CG-CD1 4.35Å; F390-F408 HydrophobicContact CG-CG 4.2Å; F390-F408 HydrophobicContact CZ-CD1 4Å; F390-F408 HydrophobicContact CZ-CE1 4.04Å; F390-L495 HydrophobicContact CE2-CD1 4.17Å; F390-L495 HydrophobicContact CZ-CB 4.08Å; F390-L495 HydrophobicContact CZ-CD1 3.95Å; F390-L495 HydrophobicContact CZ-CD2 3.95Å; F390-L495 HydrophobicContact CZ-CG 4.19Å; F390-Y498 HydrophobicContact CD1-CE1 4.44Å; F390-Y498 HydrophobicContact CE1-CD1 4.11Å; F390-Y498 AromaticContact CE1-CE1 3.8Å; F390-Y498 HydrophobicContact CE1-CE1 3.8Å; F390-Y498 HydrophobicContact CZ-CD1 4.33Å; F390-Y498 HydrophobicContact CZ-CE1 4.44Å; F390-L499 HydrophobicContact CD2-CD1 4.3Å; F390-L499 HydrophobicContact CD2-CD2 4.23Å; F390-L499 HydrophobicContact CE1-CD2 4.43Å; F390-L499 HydrophobicContact CE2-CD1 3.61Å; F390-L499 HydrophobicContact CE2-CD2 3.97Å; F390-L499 HydrophobicContact CE2-CG 3.99Å; F390-L499 HydrophobicContact CZ-CD1 4.12Å; F390-L499 HydrophobicContact CZ-CD2 4.07Å; F390-L499 HydrophobicContact CZ-CG 4.04Å
391	G	96.4	Very high	98.2	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	136.8	-36.7	177.1	0	0	0	0	0	112.4	Y274 W389 V394 T395 N405	Y274-G391 PolarHBondContact OH-O 3.47Å; W389-G391 PolarHBondContact O-N 3.17Å; G391-V394 CarbonylContact C-O 3.54Å; G391-V394 VanDerWaalsContact CA-O 3.25Å; G391-V394 WeakPolarHBondContact CA-O 3.21Å; G391-V394 PolarHBondContact N-O 3.2Å; G391-T395 WeakPolarHBondContact O-CB 3.49Å; G391-T395 WeakPolarHBondContact O-CG2 3.3Å; G391-T395 PolarHBondContact O-OG1 3.4Å; G391-N405 WeakPolarHBondContact CA-ND2 3.48Å; G391-N405 WeakPolarHBondContact CA-OD1 3.22Å
392	N	98.4	Very high	98.1	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-65.9	179.3	-64.1	-3.5	0	0	0	111.8	K226 I275 E350 W352 H387 T395	K226-N392 PolarHBondContact NZ-O 2.77Å; I275-N392 HydrophobicContact CD1-CB 4.1Å; I275-N392 WeakPolarHBondContact CG2-OD1 3.31Å; E350-N392 PolarHBondContact O-ND2 3.35Å; W352-N392 HydrophobicContact CB-CB 4.4Å; W352-N392 HydrophobicContact CD2-CB 3.74Å; W352-N392 HydrophobicContact CE3-CB 4.13Å; W352-N392 HydrophobicContact CG-CB 3.89Å; W352-N392 HydrophobicContact CZ2-CB 4.32Å; H387-N392 VanDerWaalsContact O-CB 3.25Å; H387-N392 WeakPolarHBondContact O-CB 3.27Å; H387-N392 VanDerWaalsContact O-CG 3.24Å; H387-N392 PolarHBondContact O-N 2.56Å; N392-T395 PolarHBondContact O-OG1 3.12Å
393	L	98.6	Very high	98.1	Very high	9 Å²	9	6.9 Å²	6.9	5%	0.047	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-54.5	178.8	-177.4	63.9	0	0	0	110.6	K226 W352 M388 A503 Y504	K226-L393 PolarHBondContact NZ-O 2.93Å; W352-L393 HydrophobicContact CH2-CB 4.33Å; W352-L393 HydrophobicContact CH2-CD1 4.13Å; W352-L393 HydrophobicContact CZ2-CB 4.14Å; W352-L393 HydrophobicContact CZ2-CD1 4.27Å; M388-L393 WeakPolarHBondContact O-CB 3.17Å; M388-L393 PolarHBondContact O-N 3.48Å; L393-A503 HydrophobicContact CD1-CB 3.93Å; L393-A503 HydrophobicContact CD2-CB 4.47Å; L393-A503 HydrophobicContact CG-CB 4.17Å; L393-Y504 HydrophobicContact CD1-CD1 3.99Å; L393-Y504 HydrophobicContact CD1-CD2 4.27Å; L393-Y504 HydrophobicContact CD1-CE1 3.71Å; L393-Y504 HydrophobicContact CD1-CE2 4.01Å; L393-Y504 HydrophobicContact CD1-CG 4.26Å; L393-Y504 WeakPolarHBondContact O-CA 3.03Å; L393-Y504 PolarHBondContact O-N 3.03Å
394	V	98.8	Very high	97.9	Very high	2 Å²	2	6.2 Å²	6.2	1%	0.012	3%	0.03	C	C	.	.	B	Isolated β-bridge	trans	-113.2	125.9	170.7	-174.4	0	0	0	0	108.2	W389 G391 Y498 L499 F502 T507	W389-V394 PolarHBondContact O-N 3.42Å; G391-V394 CarbonylContact C-O 3.54Å; G391-V394 VanDerWaalsContact CA-O 3.25Å; G391-V394 WeakPolarHBondContact CA-O 3.21Å; G391-V394 PolarHBondContact N-O 3.2Å; V394-Y498 HydrophobicContact CB-CE1 4.26Å; V394-Y498 HydrophobicContact CG1-CE1 3.8Å; V394-Y498 WeakPolarHBondContact CG1-OH 3.2Å; V394-L499 HydrophobicContact CB-CD2 4.08Å; V394-L499 HydrophobicContact CG2-CD2 3.69Å; V394-F502 HydrophobicContact CG1-CB 3.75Å; V394-F502 HydrophobicContact CG2-CB 3.97Å; V394-T507 HydrophobicContact CG1-CG2 3.69Å
395	T	98.4	Very high	97.8	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	148.9	-175.3	-50.6	0	0	0	0	109.2	P223 K226 Y274 G391 N392 S505 N506 T507	P223-T395 HydrophobicContact CB-CG2 4.03Å; K226-T395 WeakPolarHBondContact CE-OG1 3.21Å; K226-T395 PolarHBondContact NZ-OG1 3.05Å; Y274-T395 HydrophobicContact CE1-CG2 3.91Å; G391-T395 WeakPolarHBondContact O-CB 3.49Å; G391-T395 WeakPolarHBondContact O-CG2 3.3Å; G391-T395 PolarHBondContact O-OG1 3.4Å; N392-T395 PolarHBondContact O-OG1 3.12Å; T395-S505 PolarHBondContact N-O 2.96Å; T395-N506 CarbonylContact O-C 3.52Å; T395-N506 WeakPolarHBondContact O-CA 3.28Å; T395-T507 PolarHBondContact O-N 3.27Å
396	L	98	Very high	97.7	Very high	1 Å²	1	6 Å²	6	1%	0.005	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	153.7	165.1	65.6	-68.4	0	0	0	112.2	P223 W398 D401 N405 N506 T507	P223-L396 HydrophobicContact CB-CD2 4Å; P223-L396 HydrophobicContact CG-CD2 3.66Å; L396-W398 WeakPolarHBondContact CD2-O 3.45Å; L396-W398 WeakPolarHBondContact CG-O 3.42Å; L396-D401 HydrophobicContact CB-CB 4.46Å; L396-N405 VanDerWaalsContact CD1-CG 3.48Å; L396-N405 WeakPolarHBondContact CD1-ND2 3.44Å; L396-N405 WeakPolarHBondContact CD1-OD1 3.45Å; L396-N506 PolarHBondContact O-ND2 3.16Å; L396-T507 CarbonylContact C-O 3.52Å; L396-T507 WeakPolarHBondContact CA-O 3.5Å
397	Q	97.9	Very high	97.7	Very high	79 Å²	79	6 Å²	6	37%	0.369	3%	0.029	S	C	.	.	S	Bend	trans	-74.7	-45.3	174.2	-179.7	176.9	-43.2	0	0	111.5	A224 N506 T507 V508	A224-Q397 HydrophobicContact CB-CG 4.28Å; Q397-N506 HydrophobicContact CB-CB 4.36Å; Q397-T507 WeakPolarHBondContact CB-O 3.3Å; Q397-T507 PolarHBondContact N-O 3.39Å; Q397-V508 HydrophobicContact CB-CG1 4.06Å
398	W	98.3	Very high	97.6	Very high	6 Å²	6	6 Å²	6	2%	0.023	3%	0.029	C	C	.	.	S	Bend	trans	-142.3	159.4	174.5	-171.9	-116	0	0	0	112.9	E222 P223 L396 N400 D401 E454 V457 I463	E222-W398 HydrophobicContact CB-CZ3 3.94Å; E222-W398 HydrophobicContact CG-CH2 4.28Å; E222-W398 HydrophobicContact CG-CZ3 3.67Å; P223-W398 HydrophobicContact CG-CE3 4.25Å; L396-W398 WeakPolarHBondContact CD2-O 3.45Å; L396-W398 WeakPolarHBondContact CG-O 3.42Å; W398-N400 WeakPolarHBondContact CB-OD1 3.34Å; W398-N400 PolarHBondContact O-N 2.87Å; W398-N400 PolarHBondContact O-OD1 3.14Å; W398-D401 PolarHBondContact O-N 3.31Å; W398-D401 VanDerWaalsContact O-N 3.14Å; W398-E454 HydrophobicContact CB-CG 4.49Å; W398-V457 PolarHBondContact NE1-O 2.96Å; W398-I463 HydrophobicContact CH2-CD1 4.04Å; W398-I463 HydrophobicContact CZ2-CD1 3.9Å; W398-I463 HydrophobicContact CZ2-CG1 4.43Å
399	W	97.9	Very high	97.6	Very high	2 Å²	2	6 Å²	6	1%	0.008	3%	0.029	C	C	.	.	G	3₁₀ helix	trans	-63.2	-13.1	-171.2	-61.3	110.6	0	0	0	114.8	Q209 A210 P223 Y274 D401 L402 V457 I463 F467	Q209-W399 HydrophobicContact CG-CH2 4.33Å; A210-W399 HydrophobicContact CB-CD2 4.44Å; A210-W399 HydrophobicContact CB-CH2 4Å; A210-W399 HydrophobicContact CB-CZ2 3.85Å; A210-W399 HydrophobicContact CB-CZ3 4.35Å; A210-W399 VanDerWaalsContact O-CZ2 3.26Å; A210-W399 WeakPolarHBondContact O-CZ2 3.13Å; P223-W399 HydrophobicContact CB-CZ2 4.48Å; P223-W399 HydrophobicContact CG-CD2 4.48Å; P223-W399 HydrophobicContact CG-CZ2 4.2Å; Y274-W399 HydrophobicContact CD1-CH2 4.13Å; Y274-W399 AromaticContact CD2-CH2 3.93Å; Y274-W399 HydrophobicContact CD2-CH2 3.93Å; Y274-W399 HydrophobicContact CE1-CH2 4.48Å; Y274-W399 HydrophobicContact CE2-CH2 4.24Å; Y274-W399 AromaticContact CG-CH2 3.86Å; Y274-W399 HydrophobicContact CG-CH2 3.86Å; Y274-W399 HydrophobicContact CG-CZ2 4.37Å; W399-D401 PolarHBondContact O-N 3.31Å; W399-L402 HydrophobicContact CE3-CD1 3.95Å; W399-L402 HydrophobicContact CZ3-CD1 3.96Å; W399-L402 VanDerWaalsContact O-CB 3.3Å; W399-L402 WeakPolarHBondContact O-CB 3.45Å; W399-L402 PolarHBondContact O-N 2.91Å; W399-L402 VanDerWaalsContact O-N 3.16Å; W399-V457 HydrophobicContact CB-CG1 4.26Å; W399-I463 HydrophobicContact CB-CG1 4.11Å; W399-I463 HydrophobicContact CB-CG2 3.93Å; W399-I463 HydrophobicContact CD2-CG2 3.81Å; W399-I463 HydrophobicContact CE3-CG2 4.45Å; W399-I463 HydrophobicContact CG-CB 4.41Å; W399-I463 HydrophobicContact CG-CD1 4.36Å; W399-I463 HydrophobicContact CG-CG1 4.06Å; W399-I463 HydrophobicContact CG-CG2 3.54Å; W399-F467 HydrophobicContact CE3-CE2 4.39Å; W399-F467 HydrophobicContact CE3-CZ 4.12Å; W399-F467 HydrophobicContact CZ3-CE2 4.49Å; W399-F467 AromaticContact CZ3-CZ 3.83Å; W399-F467 HydrophobicContact CZ3-CZ 3.83Å
400	N	96.9	Very high	97.6	Very high	11 Å²	11	6.2 Å²	6.2	6%	0.059	3%	0.03	C	C	.	.	G	3₁₀ helix	trans	-63.9	-22.7	173.7	71	-60.8	0	0	0	113	W398 R452 V457	W398-N400 WeakPolarHBondContact CB-OD1 3.34Å; W398-N400 PolarHBondContact O-N 2.87Å; W398-N400 PolarHBondContact O-OD1 3.14Å; N400-R452 WeakPolarHBondContact CB-O 3.49Å; N400-R452 PolarHBondContact ND2-O 3.49Å; N400-R452 PolarHBondContact O-N 3.23Å; N400-V457 HydrophobicContact CB-CB 4.47Å; N400-V457 HydrophobicContact CB-CG2 4.27Å
401	D	97.1	Very high	97.6	Very high	3 Å²	3	6.7 Å²	6.7	2%	0.016	3%	0.032	C	C	.	.	G	3₁₀ helix	trans	-108	23.7	175.9	-85.5	-10	0	0	0	112.1	L396 W398 W399 W403 L404 S451 H509	L396-D401 HydrophobicContact CB-CB 4.46Å; W398-D401 PolarHBondContact O-N 3.31Å; W398-D401 VanDerWaalsContact O-N 3.14Å; W399-D401 PolarHBondContact O-N 3.31Å; D401-W403 PolarHBondContact O-N 3.47Å; D401-L404 HydrophobicContact CB-CD1 3.91Å; D401-L404 HydrophobicContact CB-CG 4.3Å; D401-L404 WeakPolarHBondContact O-CB 3.42Å; D401-L404 PolarHBondContact O-N 3.25Å; D401-S451 WeakPolarHBondContact OD1-CB 3.21Å; D401-S451 PolarHBondContact OD1-OG 2.94Å; D401-H509 IonicContact OD1-ND1 3.65Å; D401-H509 PolarHBondContact OD1-ND1 2.94Å; D401-H509 IonicContact OD2-CE1 3.08Å; D401-H509 IonicContact OD2-CG 3.31Å; D401-H509 PolarHBondContact OD2-N 3.39Å; D401-H509 IonicContact OD2-ND1 2.69Å; D401-H509 PolarHBondContact OD2-ND1 3.31Å
402	L	97.1	Very high	97.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-32.2	179	173.4	66.5	0	0	0	113.6	W399 L404 N405 E406 M466 F467	W399-L402 HydrophobicContact CE3-CD1 3.95Å; W399-L402 HydrophobicContact CZ3-CD1 3.96Å; W399-L402 VanDerWaalsContact O-CB 3.3Å; W399-L402 WeakPolarHBondContact O-CB 3.45Å; W399-L402 PolarHBondContact O-N 2.91Å; W399-L402 VanDerWaalsContact O-N 3.16Å; L402-L404 PolarHBondContact O-N 3Å; L402-L404 VanDerWaalsContact O-N 3.1Å; L402-N405 PolarHBondContact O-N 3.21Å; L402-E406 HydrophobicContact CD1-CG 3.68Å; L402-E406 HydrophobicContact CD2-CG 4.28Å; L402-E406 HydrophobicContact CG-CG 3.73Å; L402-E406 PolarHBondContact O-N 2.85Å; L402-E406 VanDerWaalsContact O-N 3.14Å; L402-M466 HydrophobicContact CB-CB 4.42Å; L402-M466 HydrophobicContact CD2-CB 3.82Å; L402-F467 HydrophobicContact CD1-CE1 3.77Å; L402-F467 HydrophobicContact CD1-CZ 3.76Å; L402-F467 HydrophobicContact CD2-CB 4.44Å; L402-F467 HydrophobicContact CD2-CD1 3.64Å; L402-F467 HydrophobicContact CD2-CD2 3.65Å; L402-F467 HydrophobicContact CD2-CE1 3.6Å; L402-F467 HydrophobicContact CD2-CE2 3.62Å; L402-F467 HydrophobicContact CD2-CG 3.66Å; L402-F467 HydrophobicContact CD2-CZ 3.6Å; L402-F467 HydrophobicContact CG-CE1 4.31Å; L402-F467 HydrophobicContact CG-CZ 4.34Å
403	W	97.7	Very high	97.7	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-58.6	-21.2	177.6	76.6	-89.2	0	0	0	113.7	D401 N405 G407 L450 S451 L479 H509 W513 T540	D401-W403 PolarHBondContact O-N 3.47Å; W403-N405 PolarHBondContact O-N 3.39Å; W403-G407 VanDerWaalsContact O-CA 3.24Å; W403-G407 WeakPolarHBondContact O-CA 3.34Å; W403-G407 PolarHBondContact O-N 3.34Å; W403-L450 HydrophobicContact CB-CD2 3.91Å; W403-L450 VanDerWaalsContact CD1-O 3.26Å; W403-L450 HydrophobicContact CD2-CB 4.18Å; W403-L450 HydrophobicContact CD2-CD1 4.49Å; W403-L450 HydrophobicContact CD2-CD2 4.41Å; W403-L450 HydrophobicContact CE3-CD1 4.46Å; W403-L450 HydrophobicContact CG-CB 3.98Å; W403-L450 HydrophobicContact CG-CD2 4.08Å; W403-S451 PolarHBondContact NE1-OG 2.91Å; W403-L479 HydrophobicContact CZ3-CD1 4.37Å; W403-L479 HydrophobicContact CZ3-CD2 4.17Å; W403-L479 HydrophobicContact CZ3-CG 4.26Å; W403-H509 HydrophobicContact CZ2-CB 3.76Å; W403-W513 AromaticContact CH2-CH2 3.68Å; W403-W513 HydrophobicContact CH2-CH2 3.68Å; W403-W513 AromaticContact CH2-CZ2 3.75Å; W403-W513 HydrophobicContact CH2-CZ2 3.75Å; W403-W513 HydrophobicContact CZ2-CZ2 4.18Å; W403-T540 HydrophobicContact CH2-CG2 3.91Å; W403-T540 HydrophobicContact CZ2-CG2 3.73Å
404	L	95.1	Very high	97.7	Very high	3 Å²	3	7.9 Å²	7.9	2%	0.016	4%	0.037	C	C	.	.	H	α-helix	trans	-65	-27.3	172.5	-69.4	176.7	0	0	0	113	D401 L402 F408 H509 L512	D401-L404 HydrophobicContact CB-CD1 3.91Å; D401-L404 HydrophobicContact CB-CG 4.3Å; D401-L404 WeakPolarHBondContact O-CB 3.42Å; D401-L404 PolarHBondContact O-N 3.25Å; L402-L404 PolarHBondContact O-N 3Å; L402-L404 VanDerWaalsContact O-N 3.1Å; L404-F408 HydrophobicContact CD2-CE2 4.36Å; L404-F408 WeakPolarHBondContact O-CD2 3.31Å; L404-H509 HydrophobicContact CD1-CB 4.16Å; L404-H509 HydrophobicContact CD2-CB 4.07Å; L404-H509 HydrophobicContact CG-CB 4.42Å; L404-L512 HydrophobicContact CD2-CD2 3.94Å
405	N	96.1	Very high	97.7	Very high	3 Å²	3	8.8 Å²	8.8	2%	0.016	4%	0.042	C	C	.	.	H	α-helix	trans	-87	-63.7	170.9	-68.8	13.7	0	0	0	108.9	Y274 G391 L396 L402 W403 G407 F408 A409	Y274-N405 PolarHBondContact OH-ND2 2.88Å; G391-N405 WeakPolarHBondContact CA-ND2 3.48Å; G391-N405 WeakPolarHBondContact CA-OD1 3.22Å; L396-N405 VanDerWaalsContact CD1-CG 3.48Å; L396-N405 WeakPolarHBondContact CD1-ND2 3.44Å; L396-N405 WeakPolarHBondContact CD1-OD1 3.45Å; L402-N405 PolarHBondContact O-N 3.21Å; W403-N405 PolarHBondContact O-N 3.39Å; N405-G407 PolarHBondContact O-N 3.05Å; N405-F408 PolarHBondContact O-N 2.81Å; N405-A409 PolarHBondContact O-N 3.39Å
406	E	97.9	Very high	97.7	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.009	4%	0.042	C	C	.	.	H	α-helix	trans	-69.5	-39.1	-165.9	-58.4	-60.7	167.4	0	0	112.8	H383 H387 L402 F408 S410 Y472	H383-E406 IonicContact NE2-OE2 3.09Å; H387-E406 IonicContact CE1-OE2 2.93Å; H387-E406 IonicContact NE2-OE2 3.47Å; L402-E406 HydrophobicContact CD1-CG 3.68Å; L402-E406 HydrophobicContact CD2-CG 4.28Å; L402-E406 HydrophobicContact CG-CG 3.73Å; L402-E406 PolarHBondContact O-N 2.85Å; L402-E406 VanDerWaalsContact O-N 3.14Å; E406-F408 VanDerWaalsContact C-N 3.33Å; E406-S410 WeakPolarHBondContact O-CB 3.08Å; E406-S410 PolarHBondContact O-N 3.22Å; E406-S410 PolarHBondContact O-OG 2.92Å; E406-Y472 HydrophobicContact CB-CD1 3.92Å; E406-Y472 HydrophobicContact CB-CD2 4.02Å; E406-Y472 HydrophobicContact CB-CE1 3.82Å; E406-Y472 HydrophobicContact CB-CE2 3.95Å; E406-Y472 HydrophobicContact CB-CG 4.01Å; E406-Y472 HydrophobicContact CG-CD2 4.41Å; E406-Y472 HydrophobicContact CG-CE1 4.01Å; E406-Y472 HydrophobicContact CG-CE2 3.85Å; E406-Y472 PolarHBondContact OE1-OH 2.94Å; E406-Y472 WeakPolarHBondContact OE2-CE1 3.35Å; E406-Y472 PolarHBondContact OE2-OH 3.24Å
407	G	97.9	Very high	97.7	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-68.3	-34.6	177.5	0	0	0	0	0	112.2	W403 N405 Y411 S471 A476	W403-G407 VanDerWaalsContact O-CA 3.24Å; W403-G407 WeakPolarHBondContact O-CA 3.34Å; W403-G407 PolarHBondContact O-N 3.34Å; N405-G407 PolarHBondContact O-N 3.05Å; G407-Y411 PolarHBondContact O-N 3.26Å; G407-Y411 VanDerWaalsContact O-N 3.1Å; G407-S471 WeakPolarHBondContact CA-O 3.29Å; G407-S471 PolarHBondContact N-O 3.48Å; G407-A476 WeakPolarHBondContact O-CA 3.35Å; G407-A476 PolarHBondContact O-N 3.47Å
408	F	96.9	Very high	97.8	Very high	1 Å²	1	6.5 Å²	6.5	0%	0.004	3%	0.032	C	C	.	.	H	α-helix	trans	-69.4	-51.9	175.6	-94.4	-84.2	0	0	0	111.8	F390 L404 N405 E406 S410 Y411 V412 L479 F491 L495 L512	F390-F408 HydrophobicContact CB-CB 4.15Å; F390-F408 HydrophobicContact CD1-CB 3.95Å; F390-F408 AromaticContact CD1-CD1 3.92Å; F390-F408 HydrophobicContact CD1-CD1 3.92Å; F390-F408 HydrophobicContact CD1-CD2 4.06Å; F390-F408 HydrophobicContact CD1-CE1 4.45Å; F390-F408 AromaticContact CD1-CG 3.69Å; F390-F408 HydrophobicContact CD1-CG 3.69Å; F390-F408 AromaticContact CE1-CD1 3.73Å; F390-F408 HydrophobicContact CE1-CD1 3.73Å; F390-F408 HydrophobicContact CE1-CD2 4.2Å; F390-F408 AromaticContact CE1-CE1 3.84Å; F390-F408 HydrophobicContact CE1-CE1 3.84Å; F390-F408 HydrophobicContact CE1-CE2 4.28Å; F390-F408 AromaticContact CE1-CG 3.91Å; F390-F408 HydrophobicContact CE1-CG 3.91Å; F390-F408 HydrophobicContact CE1-CZ 4.09Å; F390-F408 HydrophobicContact CE2-CD1 4.39Å; F390-F408 HydrophobicContact CG-CB 4.02Å; F390-F408 HydrophobicContact CG-CD1 4.35Å; F390-F408 HydrophobicContact CG-CG 4.2Å; F390-F408 HydrophobicContact CZ-CD1 4Å; F390-F408 HydrophobicContact CZ-CE1 4.04Å; L404-F408 HydrophobicContact CD2-CE2 4.36Å; L404-F408 WeakPolarHBondContact O-CD2 3.31Å; N405-F408 PolarHBondContact O-N 2.81Å; E406-F408 VanDerWaalsContact C-N 3.33Å; F408-S410 VanDerWaalsContact C-N 3.28Å; F408-S410 PolarHBondContact O-N 3.01Å; F408-Y411 PolarHBondContact O-N 3.29Å; F408-V412 VanDerWaalsContact O-CG2 3.29Å; F408-V412 WeakPolarHBondContact O-CG2 3.43Å; F408-V412 PolarHBondContact O-N 3.47Å; F408-L479 HydrophobicContact CB-CD1 4.22Å; F408-L479 HydrophobicContact CD1-CD1 3.93Å; F408-L479 HydrophobicContact CD2-CD1 3.39Å; F408-L479 HydrophobicContact CD2-CD2 4.26Å; F408-L479 HydrophobicContact CD2-CG 4.47Å; F408-L479 HydrophobicContact CE1-CD1 4.09Å; F408-L479 HydrophobicContact CE1-CD2 4Å; F408-L479 HydrophobicContact CE2-CD1 3.6Å; F408-L479 HydrophobicContact CE2-CD2 3.55Å; F408-L479 HydrophobicContact CE2-CG 4.23Å; F408-L479 HydrophobicContact CG-CD1 3.59Å; F408-L479 HydrophobicContact CZ-CD1 3.96Å; F408-L479 HydrophobicContact CZ-CD2 3.41Å; F408-L479 VanDerWaalsContact CZ-CD2 3.41Å; F408-L479 HydrophobicContact CZ-CG 4.33Å; F408-F491 HydrophobicContact CE1-CE1 4.39Å; F408-F491 AromaticContact CE1-CZ 3.74Å; F408-F491 HydrophobicContact CE1-CZ 3.74Å; F408-F491 HydrophobicContact CZ-CZ 4.29Å; F408-L495 HydrophobicContact CD1-CD1 4.39Å; F408-L495 HydrophobicContact CE1-CD1 3.89Å; F408-L495 HydrophobicContact CE1-CD2 3.53Å; F408-L495 HydrophobicContact CE1-CG 4.36Å; F408-L495 HydrophobicContact CZ-CD2 3.89Å; F408-L512 HydrophobicContact CE2-CD2 3.42Å; F408-L512 VanDerWaalsContact CE2-CD2 3.42Å; F408-L512 HydrophobicContact CZ-CD1 3.98Å; F408-L512 HydrophobicContact CZ-CD2 3.45Å; F408-L512 VanDerWaalsContact CZ-CD2 3.45Å; F408-L512 HydrophobicContact CZ-CG 4.34Å
409	A	98	Very high	97.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-57.4	-43.9	176.7	0	0	0	0	0	111.2	A386 H387 N405 Y411 V412 E413	A386-A409 HydrophobicContact CB-CB 4.24Å; H387-A409 WeakPolarHBondContact CE1-CB 3.43Å; H387-A409 VanDerWaalsContact NE2-CB 3.33Å; H387-A409 WeakPolarHBondContact NE2-CB 3.49Å; N405-A409 PolarHBondContact O-N 3.39Å; A409-Y411 VanDerWaalsContact C-N 3.27Å; A409-Y411 PolarHBondContact O-N 3.44Å; A409-V412 PolarHBondContact O-N 3.05Å; A409-E413 WeakPolarHBondContact O-CB 3.4Å; A409-E413 PolarHBondContact O-N 2.83Å
410	S	98.5	Very high	97.8	Very high	5 Å²	5	11.8 Å²	11.8	4%	0.035	6%	0.058	C	C	.	.	H	α-helix	trans	-62.2	-27.7	175.6	-59.4	0	0	0	0	114	H383 E406 F408 E413 Y414 Y472	H383-S410 PolarHBondContact CE1-N 3.42Å; H383-S410 PolarHBondContact CE1-OG 3.36Å; E406-S410 WeakPolarHBondContact O-CB 3.08Å; E406-S410 PolarHBondContact O-N 3.22Å; E406-S410 PolarHBondContact O-OG 2.92Å; F408-S410 VanDerWaalsContact C-N 3.28Å; F408-S410 PolarHBondContact O-N 3.01Å; S410-E413 WeakPolarHBondContact O-CG 3.5Å; S410-Y414 WeakPolarHBondContact O-CD2 3.48Å; S410-Y414 WeakPolarHBondContact O-CE2 3.34Å; S410-Y472 WeakPolarHBondContact OG-CD1 3Å
411	Y	98.4	Very high	97.8	Very high	13 Å²	13	12.6 Å²	12.6	5%	0.051	6%	0.062	C	C	.	.	H	α-helix	trans	-79.1	-51.7	173.9	170.4	-129.9	0	0	0	111.2	G407 F408 A409 E413 L415 I430 L479 R480 E488 F491	G407-Y411 PolarHBondContact O-N 3.26Å; G407-Y411 VanDerWaalsContact O-N 3.1Å; F408-Y411 PolarHBondContact O-N 3.29Å; A409-Y411 VanDerWaalsContact C-N 3.27Å; A409-Y411 PolarHBondContact O-N 3.44Å; Y411-E413 VanDerWaalsContact C-N 3.31Å; Y411-E413 PolarHBondContact O-N 2.79Å; Y411-L415 HydrophobicContact CE1-CD1 4.3Å; Y411-I430 HydrophobicContact CD2-CD1 4.03Å; Y411-L479 HydrophobicContact CD1-CB 4.31Å; Y411-L479 HydrophobicContact CG-CB 4.43Å; Y411-R480 HydrophobicContact CD2-CB 3.78Å; Y411-R480 HydrophobicContact CD2-CG 4.45Å; Y411-R480 HydrophobicContact CE2-CB 3.61Å; Y411-R480 HydrophobicContact CE2-CG 3.88Å; Y411-E488 PolarHBondContact OH-OE2 3.47Å; Y411-F491 HydrophobicContact CD1-CE1 4.22Å; Y411-F491 HydrophobicContact CE1-CD1 4.41Å; Y411-F491 AromaticContact CE1-CE1 3.76Å; Y411-F491 HydrophobicContact CE1-CE1 3.76Å; Y411-F491 HydrophobicContact CE1-CZ 4.41Å
412	V	98.3	Very high	97.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-81.4	-9.9	-169.6	-59	0	0	0	0	113.6	Y323 Y326 Y327 A386 F408 A409 Y414 L415 G416	Y323-V412 HydrophobicContact CE1-CB 4Å; Y323-V412 HydrophobicContact CE1-CG2 3.8Å; Y323-V412 PolarHBondContact OH-O 2.92Å; Y326-V412 HydrophobicContact CE1-CG1 4.42Å; Y327-V412 VanDerWaalsContact OH-CG2 3.28Å; Y327-V412 WeakPolarHBondContact OH-CG2 3.44Å; A386-V412 HydrophobicContact CB-CG2 3.44Å; A386-V412 VanDerWaalsContact CB-CG2 3.44Å; F408-V412 VanDerWaalsContact O-CG2 3.29Å; F408-V412 WeakPolarHBondContact O-CG2 3.43Å; F408-V412 PolarHBondContact O-N 3.47Å; A409-V412 PolarHBondContact O-N 3.05Å; V412-Y414 PolarHBondContact O-N 3.15Å; V412-L415 HydrophobicContact CB-CD1 4.43Å; V412-L415 HydrophobicContact CG1-CD1 4.21Å; V412-L415 PolarHBondContact O-N 3.18Å; V412-L415 VanDerWaalsContact O-N 3.09Å; V412-G416 PolarHBondContact O-N 3.48Å
413	E	98.5	Very high	97.7	Very high	27 Å²	27	20.8 Å²	20.8	13%	0.126	11%	0.113	C	C	.	.	H	α-helix	trans	-55.5	-39.4	171.2	68.7	-176.7	-136.4	0	0	111	S382 H383 A409 S410 Y411 L415 G416 V417	S382-E413 WeakPolarHBondContact CB-O 3.37Å; S382-E413 PolarHBondContact OG-O 2.98Å; H383-E413 HydrophobicContact CB-CB 4.11Å; H383-E413 IonicContact CE1-OE2 2.74Å; H383-E413 IonicContact CG-OE2 2.79Å; H383-E413 IonicContact ND1-OE2 2.68Å; H383-E413 PolarHBondContact ND1-OE2 3.06Å; A409-E413 WeakPolarHBondContact O-CB 3.4Å; A409-E413 PolarHBondContact O-N 2.83Å; S410-E413 WeakPolarHBondContact O-CG 3.5Å; Y411-E413 VanDerWaalsContact C-N 3.31Å; Y411-E413 PolarHBondContact O-N 2.79Å; E413-L415 VanDerWaalsContact C-N 3.31Å; E413-L415 PolarHBondContact O-N 3.23Å; E413-G416 PolarHBondContact O-N 3.23Å; E413-V417 WeakPolarHBondContact O-CG2 3.16Å; E413-V417 PolarHBondContact O-N 3.42Å
414	Y	98.5	Very high	97.6	Very high	7 Å²	7	21.5 Å²	21.5	3%	0.027	12%	0.116	C	C	.	.	H	α-helix	trans	-65.5	-36	177.9	-66.3	-75.6	0	0	0	111.8	S410 V412 D418 I426 I430 D434	S410-Y414 WeakPolarHBondContact O-CD2 3.48Å; S410-Y414 WeakPolarHBondContact O-CE2 3.34Å; V412-Y414 PolarHBondContact O-N 3.15Å; Y414-D418 WeakPolarHBondContact O-CB 3.2Å; Y414-D418 PolarHBondContact O-N 2.86Å; Y414-I426 HydrophobicContact CD1-CG1 4.09Å; Y414-I426 WeakPolarHBondContact CD1-O 3.38Å; Y414-I426 WeakPolarHBondContact O-CG2 3.26Å; Y414-I430 HydrophobicContact CD2-CB 4.02Å; Y414-I430 HydrophobicContact CD2-CD1 3.92Å; Y414-I430 HydrophobicContact CD2-CG1 3.99Å; Y414-I430 HydrophobicContact CE1-CB 4.32Å; Y414-I430 HydrophobicContact CE2-CB 3.72Å; Y414-I430 HydrophobicContact CE2-CD1 3.93Å; Y414-I430 HydrophobicContact CE2-CG1 3.55Å; Y414-I430 HydrophobicContact CG-CB 4.44Å; Y414-D434 VanDerWaalsContact CE2-OD2 3.32Å; Y414-D434 WeakPolarHBondContact CE2-OD2 3.39Å; Y414-D434 PolarHBondContact OH-OD2 3.43Å
415	L	98.4	Very high	97.6	Very high	21 Å²	21	25.5 Å²	25.5	11%	0.11	14%	0.138	C	C	.	.	H	α-helix	trans	-71.7	-41.2	179.7	-54.7	-177.8	0	0	0	111.7	F322 Y326 Y411 V412 E413 D418 F419 K427 E488	F322-L415 HydrophobicContact CE1-CB 3.92Å; F322-L415 HydrophobicContact CZ-CB 3.73Å; Y326-L415 HydrophobicContact CE2-CD1 4.19Å; Y411-L415 HydrophobicContact CE1-CD1 4.3Å; V412-L415 HydrophobicContact CB-CD1 4.43Å; V412-L415 HydrophobicContact CG1-CD1 4.21Å; V412-L415 PolarHBondContact O-N 3.18Å; V412-L415 VanDerWaalsContact O-N 3.09Å; E413-L415 VanDerWaalsContact C-N 3.31Å; E413-L415 PolarHBondContact O-N 3.23Å; L415-D418 PolarHBondContact O-N 2.69Å; L415-F419 PolarHBondContact O-N 2.7Å; L415-F419 VanDerWaalsContact O-N 3.15Å; L415-K427 HydrophobicContact CD2-CD 3.82Å; L415-K427 HydrophobicContact CD2-CG 4.26Å; L415-E488 WeakPolarHBondContact CD1-OE1 3.26Å
416	G	98.3	Very high	97.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-68.2	-38.1	177.2	0	0	0	0	0	112.4	S382 V412 E413 F419 V420	S382-G416 VanDerWaalsContact OG-CA 3.31Å; S382-G416 WeakPolarHBondContact OG-CA 3.38Å; V412-G416 PolarHBondContact O-N 3.48Å; E413-G416 PolarHBondContact O-N 3.23Å; G416-F419 WeakPolarHBondContact O-CB 3.39Å; G416-F419 PolarHBondContact O-N 2.8Å; G416-V420 PolarHBondContact O-N 3.44Å
417	V	98.6	Very high	97.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.4	-42.8	173.3	179.5	0	0	0	0	111.9	A378 T379 E413 F419 V420 E421 W424 I426	A378-V417 VanDerWaalsContact C-CG2 3.45Å; A378-V417 HydrophobicContact CB-CG1 4.06Å; A378-V417 HydrophobicContact CB-CG2 3.92Å; A378-V417 WeakPolarHBondContact O-CG2 3.32Å; T379-V417 HydrophobicContact CG2-CG2 3.92Å; E413-V417 WeakPolarHBondContact O-CG2 3.16Å; E413-V417 PolarHBondContact O-N 3.42Å; V417-F419 PolarHBondContact O-N 3.42Å; V417-V420 WeakPolarHBondContact O-CG2 3.38Å; V417-V420 PolarHBondContact O-N 3.26Å; V417-E421 HydrophobicContact CG1-CB 4.43Å; V417-E421 PolarHBondContact O-N 3.48Å; V417-W424 HydrophobicContact CG1-CE3 3.8Å; V417-W424 HydrophobicContact CG1-CZ3 3.83Å; V417-I426 HydrophobicContact CB-CG1 4.43Å; V417-I426 HydrophobicContact CB-CG2 4.02Å; V417-I426 HydrophobicContact CG1-CB 4.31Å; V417-I426 HydrophobicContact CG1-CG1 4.03Å; V417-I426 HydrophobicContact CG1-CG2 3.95Å
418	D	98.4	Very high	97.5	Very high	32 Å²	32	31.8 Å²	31.8	17%	0.171	17%	0.167	C	C	.	.	H	α-helix	trans	-57.1	-32.9	176.4	-171.9	78.2	0	0	0	112	Y414 L415 P422 I426 K427	Y414-D418 WeakPolarHBondContact O-CB 3.2Å; Y414-D418 PolarHBondContact O-N 2.86Å; L415-D418 PolarHBondContact O-N 2.69Å; D418-P422 WeakPolarHBondContact O-CA 3.23Å; D418-P422 WeakPolarHBondContact O-CB 3.36Å; D418-I426 HydrophobicContact CB-CG2 3.87Å; D418-K427 HydrophobicContact CB-CD 4.11Å; D418-K427 HydrophobicContact CB-CG 3.99Å; D418-K427 VanDerWaalsContact CG-CE 3.49Å; D418-K427 WeakPolarHBondContact OD1-CE 3.44Å; D418-K427 IonicContact OD1-NZ 2.83Å; D418-K427 VanDerWaalsContact OD2-CE 3.32Å; D418-K427 WeakPolarHBondContact OD2-CE 3.28Å; D418-K427 IonicContact OD2-NZ 3.9Å; D418-K427 PolarHBondContact OD2-NZ 3.43Å
419	F	98.2	Very high	97.4	Very high	86 Å²	86	31.9 Å²	31.9	38%	0.377	17%	0.167	S	C	.	.	H	α-helix	trans	-67.1	-38.7	175.7	-179.1	-102.6	0	0	0	113.5	P318 F322 L415 G416 V417	P318-F419 HydrophobicContact CB-CE1 4.16Å; P318-F419 WeakPolarHBondContact O-CE1 3.38Å; F322-F419 HydrophobicContact CB-CB 4.35Å; F322-F419 HydrophobicContact CB-CD1 3.71Å; F322-F419 HydrophobicContact CB-CE1 4.1Å; F322-F419 HydrophobicContact CB-CG 3.93Å; F322-F419 HydrophobicContact CD2-CB 3.84Å; F322-F419 HydrophobicContact CD2-CD1 4.42Å; F322-F419 AromaticContact CD2-CD2 3.83Å; F322-F419 HydrophobicContact CD2-CD2 3.83Å; F322-F419 AromaticContact CD2-CG 3.77Å; F322-F419 HydrophobicContact CD2-CG 3.77Å; F322-F419 HydrophobicContact CE2-CB 4.41Å; F322-F419 HydrophobicContact CG-CB 4.08Å; F322-F419 HydrophobicContact CG-CD1 4.33Å; F322-F419 HydrophobicContact CG-CG 4.06Å; L415-F419 PolarHBondContact O-N 2.7Å; L415-F419 VanDerWaalsContact O-N 3.15Å; G416-F419 WeakPolarHBondContact O-CB 3.39Å; G416-F419 PolarHBondContact O-N 2.8Å; V417-F419 PolarHBondContact O-N 3.42Å
420	V	97.9	Very high	97.4	Very high	33 Å²	33	32 Å²	32	20%	0.2	17%	0.168	C	C	.	.	H	α-helix	trans	-93.3	-23.9	-177.2	-64.4	0	0	0	0	114.1	V315 P318 I319 G416 V417	V315-V420 HydrophobicContact CB-CG2 4.32Å; V315-V420 HydrophobicContact CG1-CB 4.48Å; V315-V420 HydrophobicContact CG1-CG2 4.25Å; P318-V420 HydrophobicContact CB-CG1 3.57Å; I319-V420 HydrophobicContact CD1-CG2 4.21Å; I319-V420 HydrophobicContact CG1-CG1 3.75Å; I319-V420 HydrophobicContact CG1-CG2 4.17Å; G416-V420 PolarHBondContact O-N 3.44Å; V417-V420 WeakPolarHBondContact O-CG2 3.38Å; V417-V420 PolarHBondContact O-N 3.26Å
421	E	97.6	Very high	97.3	Very high	29 Å²	29	31.8 Å²	31.8	14%	0.136	17%	0.166	C	C	.	.			trans	-132.4	63.8	179.9	-62.8	-82.2	-166.6	0	0	109.9	Y311 K374 V417 T423 W424	Y311-E421 VanDerWaalsContact CE2-OE1 3.31Å; Y311-E421 WeakPolarHBondContact CE2-OE1 3.43Å; Y311-E421 PolarHBondContact OH-OE1 3.07Å; K374-E421 VanDerWaalsContact CE-OE1 3.26Å; K374-E421 WeakPolarHBondContact CE-OE1 3.33Å; K374-E421 IonicContact NZ-OE1 3.8Å; K374-E421 PolarHBondContact NZ-OE1 2.97Å; K374-E421 IonicContact NZ-OE2 2.69Å; V417-E421 HydrophobicContact CG1-CB 4.43Å; V417-E421 PolarHBondContact O-N 3.48Å; E421-T423 PolarHBondContact O-N 2.78Å; E421-W424 HydrophobicContact CB-CD2 3.54Å; E421-W424 HydrophobicContact CB-CE3 3.82Å; E421-W424 HydrophobicContact CB-CG 3.86Å; E421-W424 HydrophobicContact CB-CH2 4.33Å; E421-W424 HydrophobicContact CB-CZ2 4.08Å; E421-W424 HydrophobicContact CB-CZ3 4.19Å; E421-W424 VanDerWaalsContact CD-CZ2 3.42Å; E421-W424 HydrophobicContact CG-CD2 4.08Å; E421-W424 HydrophobicContact CG-CE3 4.19Å; E421-W424 HydrophobicContact CG-CH2 3.8Å; E421-W424 HydrophobicContact CG-CZ2 3.66Å; E421-W424 HydrophobicContact CG-CZ3 4.04Å; E421-W424 WeakPolarHBondContact O-CB 3.31Å; E421-W424 PolarHBondContact O-N 3.36Å; E421-W424 VanDerWaalsContact O-N 3.1Å; E421-W424 PolarHBondContact OE2-NE1 3.16Å
422	P	96.7	Very high	97.2	Very high	85 Å²	85	31.2 Å²	31.2	55%	0.552	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-14.2	-170.3	26.9	-36.8	0	0	0	114.6	D418 W424	D418-P422 WeakPolarHBondContact O-CA 3.23Å; D418-P422 WeakPolarHBondContact O-CB 3.36Å; P422-W424 VanDerWaalsContact C-N 3.32Å
423	T	95.7	Very high	97	Very high	90 Å²	90	34.1 Å²	34.1	55%	0.552	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-7	177.7	58.6	0	0	0	0	113	E421	E421-T423 PolarHBondContact O-N 2.78Å
424	W	96.2	Very high	97	Very high	15 Å²	15	33 Å²	33	6%	0.057	17%	0.171	C	C	.	.	S	Bend	trans	-80.9	-16.9	-175.1	-71.3	9.9	0	0	0	114.3	Y311 K374 E375 A378 V417 E421 P422 I426 H743	Y311-W424 WeakPolarHBondContact OH-CH2 3.22Å; K374-W424 HydrophobicContact CB-CH2 4.36Å; K374-W424 HydrophobicContact CD-CH2 4.22Å; K374-W424 HydrophobicContact CD-CZ2 3.87Å; K374-W424 HydrophobicContact CG-CH2 4.04Å; K374-W424 HydrophobicContact CG-CZ2 4.21Å; E375-W424 HydrophobicContact CB-CZ3 4.02Å; E375-W424 HydrophobicContact CG-CZ3 4.27Å; A378-W424 HydrophobicContact CB-CH2 4.32Å; A378-W424 HydrophobicContact CB-CZ3 4.07Å; V417-W424 HydrophobicContact CG1-CE3 3.8Å; V417-W424 HydrophobicContact CG1-CZ3 3.83Å; E421-W424 HydrophobicContact CB-CD2 3.54Å; E421-W424 HydrophobicContact CB-CE3 3.82Å; E421-W424 HydrophobicContact CB-CG 3.86Å; E421-W424 HydrophobicContact CB-CH2 4.33Å; E421-W424 HydrophobicContact CB-CZ2 4.08Å; E421-W424 HydrophobicContact CB-CZ3 4.19Å; E421-W424 VanDerWaalsContact CD-CZ2 3.42Å; E421-W424 HydrophobicContact CG-CD2 4.08Å; E421-W424 HydrophobicContact CG-CE3 4.19Å; E421-W424 HydrophobicContact CG-CH2 3.8Å; E421-W424 HydrophobicContact CG-CZ2 3.66Å; E421-W424 HydrophobicContact CG-CZ3 4.04Å; E421-W424 WeakPolarHBondContact O-CB 3.31Å; E421-W424 PolarHBondContact O-N 3.36Å; E421-W424 VanDerWaalsContact O-N 3.1Å; E421-W424 PolarHBondContact OE2-NE1 3.16Å; P422-W424 VanDerWaalsContact C-N 3.32Å; W424-I426 HydrophobicContact CB-CB 4.19Å; W424-I426 PolarHBondContact O-N 3.12Å; W424-H743 HydrophobicContact CB-CB 4.08Å; W424-H743 AromaticContact CD1-CG 3.78Å; W424-H743 AromaticContact CD2-CE1 3.89Å; W424-H743 AromaticContact CD2-CG 3.93Å; W424-H743 AromaticContact CD2-ND1 3.85Å; W424-H743 AromaticContact CE2-ND1 3.81Å; W424-H743 HydrophobicContact CG-CB 3.83Å; W424-H743 AromaticContact CG-CD2 3.82Å; W424-H743 AromaticContact CG-CG 3.61Å; W424-H743 AromaticContact CG-ND1 3.99Å; W424-H743 AromaticContact NE1-ND1 3.93Å
425	N	94.4	Very high	97	Very high	87 Å²	87	32.9 Å²	32.9	47%	0.465	17%	0.171	S	C	.	.			trans	50.8	36.6	-169	-59.2	-59.1	0	0	0	112	K427 D428	N425-K427 PolarHBondContact O-N 3.48Å; N425-K427 VanDerWaalsContact O-N 3.13Å; N425-D428 PolarHBondContact O-N 3.24Å; N425-D428 VanDerWaalsContact O-N 3.1Å
426	I	96.6	Very high	96.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-63	-26.8	-167.9	-165.4	57.6	0	0	0	112.6	E375 T379 Y414 V417 D418 W424 D428 Y429	E375-I426 HydrophobicContact CG-CD1 3.7Å; T379-I426 HydrophobicContact CG2-CG1 4.48Å; Y414-I426 HydrophobicContact CD1-CG1 4.09Å; Y414-I426 WeakPolarHBondContact CD1-O 3.38Å; Y414-I426 WeakPolarHBondContact O-CG2 3.26Å; V417-I426 HydrophobicContact CB-CG1 4.43Å; V417-I426 HydrophobicContact CB-CG2 4.02Å; V417-I426 HydrophobicContact CG1-CB 4.31Å; V417-I426 HydrophobicContact CG1-CG1 4.03Å; V417-I426 HydrophobicContact CG1-CG2 3.95Å; D418-I426 HydrophobicContact CB-CG2 3.87Å; W424-I426 HydrophobicContact CB-CB 4.19Å; W424-I426 PolarHBondContact O-N 3.12Å; I426-D428 PolarHBondContact O-N 3.37Å; I426-D428 VanDerWaalsContact O-N 3.17Å; I426-Y429 HydrophobicContact CD1-CD2 3.68Å; I426-Y429 HydrophobicContact CD1-CE2 4.3Å; I426-Y429 HydrophobicContact CD1-CG 4.07Å; I426-Y429 WeakPolarHBondContact O-CB 3.49Å; I426-Y429 PolarHBondContact O-N 3.07Å
427	K	96.9	Very high	96.8	Very high	88 Å²	88	37 Å²	37	38%	0.383	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-58.5	-27.9	176.5	-66.1	179.4	-59.9	-150.5	0	113.5	L415 D418 N425 Y429 I430	L415-K427 HydrophobicContact CD2-CD 3.82Å; L415-K427 HydrophobicContact CD2-CG 4.26Å; D418-K427 HydrophobicContact CB-CD 4.11Å; D418-K427 HydrophobicContact CB-CG 3.99Å; D418-K427 VanDerWaalsContact CG-CE 3.49Å; D418-K427 WeakPolarHBondContact OD1-CE 3.44Å; D418-K427 IonicContact OD1-NZ 2.83Å; D418-K427 VanDerWaalsContact OD2-CE 3.32Å; D418-K427 WeakPolarHBondContact OD2-CE 3.28Å; D418-K427 IonicContact OD2-NZ 3.9Å; D418-K427 PolarHBondContact OD2-NZ 3.43Å; N425-K427 PolarHBondContact O-N 3.48Å; N425-K427 VanDerWaalsContact O-N 3.13Å; K427-Y429 VanDerWaalsContact C-N 3.26Å; K427-Y429 PolarHBondContact O-N 3.25Å; K427-I430 WeakPolarHBondContact O-CG2 3.35Å
428	D	95.9	Very high	96.7	Very high	49 Å²	49	37 Å²	37	26%	0.262	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-75	-21	178.9	-68.4	-5	0	0	0	111.8	N425 I426 I430 I431 M652 I689	N425-D428 PolarHBondContact O-N 3.24Å; N425-D428 VanDerWaalsContact O-N 3.1Å; I426-D428 PolarHBondContact O-N 3.37Å; I426-D428 VanDerWaalsContact O-N 3.17Å; D428-I430 PolarHBondContact O-N 3.11Å; D428-I431 WeakPolarHBondContact O-CB 3.37Å; D428-I431 WeakPolarHBondContact O-CG1 3.31Å; D428-I431 PolarHBondContact O-N 3.49Å; D428-M652 HydrophobicContact CB-CG 4.48Å; D428-M652 HydrophobicContact CB-SD 4.48Å; D428-I689 HydrophobicContact CB-CD1 3.68Å
429	Y	96.3	Very high	96.7	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.012	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-72.6	-19.3	-174.9	-75	24	0	0	0	112	E375 I426 K427 I431 L432 Y433 Y688 I689 S744 Y747	E375-Y429 WeakPolarHBondContact OE2-CE2 3.35Å; I426-Y429 HydrophobicContact CD1-CD2 3.68Å; I426-Y429 HydrophobicContact CD1-CE2 4.3Å; I426-Y429 HydrophobicContact CD1-CG 4.07Å; I426-Y429 WeakPolarHBondContact O-CB 3.49Å; I426-Y429 PolarHBondContact O-N 3.07Å; K427-Y429 VanDerWaalsContact C-N 3.26Å; K427-Y429 PolarHBondContact O-N 3.25Å; Y429-I431 PolarHBondContact O-N 2.99Å; Y429-I431 VanDerWaalsContact O-N 3.1Å; Y429-L432 PolarHBondContact O-N 3.33Å; Y429-Y433 HydrophobicContact CD2-CD2 4.37Å; Y429-Y433 AromaticContact CD2-CE2 3.62Å; Y429-Y433 HydrophobicContact CD2-CE2 3.62Å; Y429-Y433 HydrophobicContact CE2-CE2 4.5Å; Y429-Y433 HydrophobicContact CG-CE2 4.18Å; Y429-Y433 PolarHBondContact O-N 2.94Å; Y429-Y688 HydrophobicContact CD2-CE1 4.49Å; Y429-Y688 AromaticContact CE1-CD1 3.99Å; Y429-Y688 HydrophobicContact CE1-CD1 3.99Å; Y429-Y688 HydrophobicContact CE1-CE1 4.29Å; Y429-Y688 HydrophobicContact CE2-CD1 4.29Å; Y429-Y688 AromaticContact CE2-CE1 3.92Å; Y429-Y688 HydrophobicContact CE2-CE1 3.92Å; Y429-Y688 AromaticContact CZ-CD1 3.7Å; Y429-Y688 AromaticContact CZ-CE1 3.82Å; Y429-I689 HydrophobicContact CD1-CD1 4.02Å; Y429-I689 HydrophobicContact CD1-CG1 4.36Å; Y429-I689 HydrophobicContact CE1-CD1 4.21Å; Y429-I689 HydrophobicContact CE1-CG1 4.34Å; Y429-S744 VanDerWaalsContact OH-CA 3.31Å; Y429-S744 WeakPolarHBondContact OH-CA 3.43Å; Y429-Y747 HydrophobicContact CE2-CD2 4.2Å; Y429-Y747 HydrophobicContact CE2-CE2 4.1Å
430	I	97.1	Very high	96.3	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.01	18%	0.179	C	C	.	.	H	α-helix	trans	-53.7	-30.3	171.1	-160.5	174.4	0	0	0	112.1	Y411 Y414 K427 D428 L432 D434 V435 R480	Y411-I430 HydrophobicContact CD2-CD1 4.03Å; Y414-I430 HydrophobicContact CD2-CB 4.02Å; Y414-I430 HydrophobicContact CD2-CD1 3.92Å; Y414-I430 HydrophobicContact CD2-CG1 3.99Å; Y414-I430 HydrophobicContact CE1-CB 4.32Å; Y414-I430 HydrophobicContact CE2-CB 3.72Å; Y414-I430 HydrophobicContact CE2-CD1 3.93Å; Y414-I430 HydrophobicContact CE2-CG1 3.55Å; Y414-I430 HydrophobicContact CG-CB 4.44Å; K427-I430 WeakPolarHBondContact O-CG2 3.35Å; D428-I430 PolarHBondContact O-N 3.11Å; I430-L432 VanDerWaalsContact C-N 3.34Å; I430-L432 PolarHBondContact O-N 3.31Å; I430-D434 HydrophobicContact CG1-CB 3.79Å; I430-D434 WeakPolarHBondContact O-CA 3.19Å; I430-D434 WeakPolarHBondContact O-CB 3.42Å; I430-D434 PolarHBondContact O-N 3.47Å; I430-V435 PolarHBondContact O-N 3.03Å; I430-R480 HydrophobicContact CD1-CB 4.3Å
431	I	96.9	Very high	95.8	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.187	C	C	.	.	I	π-helix	trans	-63	-44	176.9	-58.5	-46.7	0	0	0	110.7	D428 Y429 V435 Q436 V622 M652	D428-I431 WeakPolarHBondContact O-CB 3.37Å; D428-I431 WeakPolarHBondContact O-CG1 3.31Å; D428-I431 PolarHBondContact O-N 3.49Å; Y429-I431 PolarHBondContact O-N 2.99Å; Y429-I431 VanDerWaalsContact O-N 3.1Å; I431-V435 HydrophobicContact CD1-CG2 4.12Å; I431-Q436 WeakPolarHBondContact O-CB 3.44Å; I431-Q436 VanDerWaalsContact O-CG 3.3Å; I431-Q436 WeakPolarHBondContact O-CG 3.42Å; I431-Q436 PolarHBondContact O-N 3.31Å; I431-V622 HydrophobicContact CD1-CB 3.76Å; I431-V622 HydrophobicContact CD1-CG1 4.22Å; I431-V622 HydrophobicContact CG1-CB 4.45Å; I431-V622 HydrophobicContact CG2-CB 4.47Å; I431-V622 HydrophobicContact CG2-CG2 4.22Å; I431-M652 HydrophobicContact CD1-SD 4.46Å; I431-M652 HydrophobicContact CG1-CG 3.91Å; I431-M652 HydrophobicContact CG1-SD 3.86Å
432	L	95.6	Very high	95.7	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	I	π-helix	trans	-77.4	-51.8	178.5	-66.7	178.1	0	0	0	111.4	Y429 I430 Y688 I689 A692 R696	Y429-L432 PolarHBondContact O-N 3.33Å; I430-L432 VanDerWaalsContact C-N 3.34Å; I430-L432 PolarHBondContact O-N 3.31Å; L432-Y688 HydrophobicContact CD1-CD1 4.33Å; L432-Y688 HydrophobicContact CD1-CE1 3.76Å; L432-I689 HydrophobicContact CD1-CB 4.22Å; L432-I689 HydrophobicContact CD1-CG1 3.91Å; L432-I689 HydrophobicContact CD1-CG2 4.22Å; L432-I689 HydrophobicContact CD2-CG2 4.09Å; L432-I689 HydrophobicContact CG-CG1 4.45Å; L432-I689 HydrophobicContact CG-CG2 4Å; L432-A692 HydrophobicContact CD1-CB 3.72Å; L432-A692 HydrophobicContact CD2-CB 4.2Å; L432-R696 PolarHBondContact O-NH1 3.13Å; L432-R696 PolarHBondContact O-NH2 3Å
433	Y	95.1	Very high	95.6	Very high	62 Å²	62	30 Å²	30	24%	0.243	16%	0.155	C	C	.	.	I	π-helix	trans	-85.1	-21.8	-165.5	-61.6	-43.1	0	0	0	113.8	E375 Y429 K437 N473 Y688	E375-Y433 WeakPolarHBondContact OE1-CE2 3.2Å; Y429-Y433 HydrophobicContact CD2-CD2 4.37Å; Y429-Y433 AromaticContact CD2-CE2 3.62Å; Y429-Y433 HydrophobicContact CD2-CE2 3.62Å; Y429-Y433 HydrophobicContact CE2-CE2 4.5Å; Y429-Y433 HydrophobicContact CG-CE2 4.18Å; Y429-Y433 PolarHBondContact O-N 2.94Å; Y433-K437 WeakPolarHBondContact O-CB 2.97Å; Y433-K437 WeakPolarHBondContact O-CD 3.24Å; Y433-N473 PolarHBondContact O-ND2 3.31Å; Y433-Y688 PolarHBondContact OH-OH 3.34Å
434	D	97.4	Very high	95.3	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	14%	0.142	C	C	.	.	I	π-helix	trans	-112.1	-65.9	176.8	-63.9	-86.8	0	0	0	111.7	Y414 I430 K437 V438 N473	Y414-D434 VanDerWaalsContact CE2-OD2 3.32Å; Y414-D434 WeakPolarHBondContact CE2-OD2 3.39Å; Y414-D434 PolarHBondContact OH-OD2 3.43Å; I430-D434 HydrophobicContact CG1-CB 3.79Å; I430-D434 WeakPolarHBondContact O-CA 3.19Å; I430-D434 WeakPolarHBondContact O-CB 3.42Å; I430-D434 PolarHBondContact O-N 3.47Å; D434-K437 WeakPolarHBondContact O-CB 3.44Å; D434-K437 PolarHBondContact O-N 3.19Å; D434-V438 VanDerWaalsContact O-CG1 3.31Å; D434-V438 WeakPolarHBondContact O-CG1 3.45Å; D434-V438 PolarHBondContact O-N 3.32Å; D434-N473 HydrophobicContact CB-CB 4.15Å; D434-N473 WeakPolarHBondContact OD1-CA 3.46Å; D434-N473 PolarHBondContact OD1-ND2 3.38Å
435	V	98.3	Very high	94.9	Very high	4 Å²	4	29 Å²	29	2%	0.024	15%	0.15	C	C	.	.	I	π-helix	trans	-60.7	-59.3	-166.7	179.7	0	0	0	0	111.7	I430 I431 K437 V438 F439 A477 V622 Y625	I430-V435 PolarHBondContact O-N 3.03Å; I431-V435 HydrophobicContact CD1-CG2 4.12Å; V435-K437 VanDerWaalsContact C-N 3.27Å; V435-K437 PolarHBondContact O-N 3.46Å; V435-V438 WeakPolarHBondContact O-CG1 3.46Å; V435-V438 PolarHBondContact O-N 3.4Å; V435-F439 HydrophobicContact CG1-CD2 4.02Å; V435-F439 HydrophobicContact CG1-CE1 4.47Å; V435-F439 HydrophobicContact CG1-CE2 3.47Å; V435-F439 VanDerWaalsContact CG1-CE2 3.47Å; V435-F439 HydrophobicContact CG1-CZ 3.73Å; V435-F439 WeakPolarHBondContact O-CD2 3.31Å; V435-F439 WeakPolarHBondContact O-CG 3.25Å; V435-F439 PolarHBondContact O-N 2.71Å; V435-A477 HydrophobicContact CG2-CB 3.89Å; V435-V622 HydrophobicContact CG1-CG1 4.15Å; V435-Y625 HydrophobicContact CG1-CD2 4.46Å
436	Q	97.1	Very high	94.3	Very high	9 Å²	9	27 Å²	27	4%	0.042	14%	0.143	C	C	.	.	H	α-helix	trans	-63.4	-35.2	179.2	-73.4	-174.4	-0.5	0	0	112.3	I431 D659 S693 R696	I431-Q436 WeakPolarHBondContact O-CB 3.44Å; I431-Q436 VanDerWaalsContact O-CG 3.3Å; I431-Q436 WeakPolarHBondContact O-CG 3.42Å; I431-Q436 PolarHBondContact O-N 3.31Å; Q436-D659 HydrophobicContact CG-CB 4.33Å; Q436-S693 PolarHBondContact NE2-OG 3.22Å; Q436-R696 VanDerWaalsContact CB-NH1 3.34Å
437	K	95.3	Very high	94	Very high	98 Å²	98	27.5 Å²	27.5	43%	0.426	15%	0.146	S	C	.	.	H	α-helix	trans	-63.3	-48.5	179	-179.3	-171.3	173.6	-159.3	0	110.6	Y433 D434 V435 A440 T469 N473	Y433-K437 WeakPolarHBondContact O-CB 2.97Å; Y433-K437 WeakPolarHBondContact O-CD 3.24Å; D434-K437 WeakPolarHBondContact O-CB 3.44Å; D434-K437 PolarHBondContact O-N 3.19Å; V435-K437 VanDerWaalsContact C-N 3.27Å; V435-K437 PolarHBondContact O-N 3.46Å; K437-A440 PolarHBondContact O-N 2.97Å; K437-T469 HydrophobicContact CG-CG2 4.34Å; K437-N473 PolarHBondContact NZ-OD1 3.31Å
438	V	96.9	Very high	93.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-75.1	-30	-177.5	69.5	0	0	0	0	112.9	D434 V435 A440 I441 D442 T469 I470 N473 K474 Y625	D434-V438 VanDerWaalsContact O-CG1 3.31Å; D434-V438 WeakPolarHBondContact O-CG1 3.45Å; D434-V438 PolarHBondContact O-N 3.32Å; V435-V438 WeakPolarHBondContact O-CG1 3.46Å; V435-V438 PolarHBondContact O-N 3.4Å; V438-A440 PolarHBondContact O-N 3.04Å; V438-A440 VanDerWaalsContact O-N 3.13Å; V438-I441 PolarHBondContact O-N 3.33Å; V438-D442 HydrophobicContact CG2-CB 4.35Å; V438-D442 WeakPolarHBondContact O-CB 3.28Å; V438-D442 PolarHBondContact O-N 3.21Å; V438-T469 HydrophobicContact CB-CG2 3.87Å; V438-T469 HydrophobicContact CG2-CG2 3.85Å; V438-I470 HydrophobicContact CG2-CD1 3.88Å; V438-N473 HydrophobicContact CB-CB 3.81Å; V438-N473 HydrophobicContact CG1-CB 4.28Å; V438-N473 HydrophobicContact CG2-CB 4.43Å; V438-K474 HydrophobicContact CG1-CB 4.24Å; V438-K474 HydrophobicContact CG2-CB 3.66Å; V438-Y625 HydrophobicContact CG1-CE2 3.44Å; V438-Y625 VanDerWaalsContact CG1-CE2 3.44Å; V438-Y625 WeakPolarHBondContact CG1-OH 3.38Å
439	F	97.5	Very high	93.9	Very high	4 Å²	4	22.5 Å²	22.5	2%	0.018	12%	0.123	C	C	.	.	H	α-helix	trans	-55.6	-32.2	173.8	-78.1	-28.1	0	0	0	112.8	V435 I441 A443 F545 Y625 R627	V435-F439 HydrophobicContact CG1-CD2 4.02Å; V435-F439 HydrophobicContact CG1-CE1 4.47Å; V435-F439 HydrophobicContact CG1-CE2 3.47Å; V435-F439 VanDerWaalsContact CG1-CE2 3.47Å; V435-F439 HydrophobicContact CG1-CZ 3.73Å; V435-F439 WeakPolarHBondContact O-CD2 3.31Å; V435-F439 WeakPolarHBondContact O-CG 3.25Å; V435-F439 PolarHBondContact O-N 2.71Å; F439-I441 VanDerWaalsContact C-N 3.32Å; F439-I441 PolarHBondContact O-N 2.91Å; F439-A443 WeakPolarHBondContact O-CB 3.39Å; F439-A443 PolarHBondContact O-N 2.97Å; F439-F545 HydrophobicContact CB-CE1 4.11Å; F439-F545 HydrophobicContact CB-CZ 3.84Å; F439-F545 AromaticContact CD1-CD1 3.68Å; F439-F545 HydrophobicContact CD1-CD1 3.68Å; F439-F545 AromaticContact CD1-CD2 3.88Å; F439-F545 HydrophobicContact CD1-CD2 3.88Å; F439-F545 AromaticContact CD1-CE1 3.43Å; F439-F545 HydrophobicContact CD1-CE1 3.43Å; F439-F545 VanDerWaalsContact CD1-CE1 3.43Å; F439-F545 AromaticContact CD1-CE2 3.65Å; F439-F545 HydrophobicContact CD1-CE2 3.65Å; F439-F545 AromaticContact CD1-CG 3.9Å; F439-F545 HydrophobicContact CD1-CG 3.9Å; F439-F545 AromaticContact CD1-CZ 3.39Å; F439-F545 HydrophobicContact CD1-CZ 3.39Å; F439-F545 HydrophobicContact CE1-CD1 4.1Å; F439-F545 AromaticContact CE1-CD2 3.75Å; F439-F545 HydrophobicContact CE1-CD2 3.75Å; F439-F545 HydrophobicContact CE1-CE1 4.23Å; F439-F545 AromaticContact CE1-CE2 3.9Å; F439-F545 HydrophobicContact CE1-CE2 3.9Å; F439-F545 AromaticContact CE1-CG 3.85Å; F439-F545 HydrophobicContact CE1-CG 3.85Å; F439-F545 HydrophobicContact CE1-CZ 4.12Å; F439-F545 HydrophobicContact CG-CE1 4.15Å; F439-F545 HydrophobicContact CG-CE2 4.23Å; F439-F545 AromaticContact CG-CZ 3.83Å; F439-F545 HydrophobicContact CG-CZ 3.83Å; F439-Y625 HydrophobicContact CD1-CD2 4.15Å; F439-Y625 HydrophobicContact CD1-CE1 4.45Å; F439-Y625 AromaticContact CD1-CE2 3.5Å; F439-Y625 HydrophobicContact CD1-CE2 3.5Å; F439-Y625 AromaticContact CD1-CZ 3.68Å; F439-Y625 HydrophobicContact CE1-CD1 4.32Å; F439-Y625 AromaticContact CE1-CD2 3.45Å; F439-Y625 HydrophobicContact CE1-CD2 3.45Å; F439-Y625 VanDerWaalsContact CE1-CD2 3.45Å; F439-Y625 HydrophobicContact CE1-CE1 4.2Å; F439-Y625 AromaticContact CE1-CE2 3.29Å; F439-Y625 HydrophobicContact CE1-CE2 3.29Å; F439-Y625 AromaticContact CE1-CG 3.98Å; F439-Y625 HydrophobicContact CE1-CG 3.98Å; F439-Y625 AromaticContact CE1-CZ 3.7Å; F439-Y625 HydrophobicContact CG-CE2 4.49Å; F439-Y625 AromaticContact CZ-CD2 3.99Å; F439-Y625 HydrophobicContact CZ-CD2 3.99Å; F439-Y625 HydrophobicContact CZ-CE2 4.14Å; F439-R627 VanDerWaalsContact CB-NH2 3.31Å; F439-R627 HydrophobicContact CD2-CG 4.48Å; F439-R627 HydrophobicContact CE2-CG 4.26Å; F439-R627 HydrophobicContact CZ-CG 4.47Å
440	A	90.4	Very high	93.9	Very high	42 Å²	42	22.3 Å²	22.3	35%	0.347	12%	0.123	S	C	.	.	H	α-helix	trans	-67.9	-30.9	178.7	0	0	0	0	0	113.3	K437 V438	K437-A440 PolarHBondContact O-N 2.97Å; V438-A440 PolarHBondContact O-N 3.04Å; V438-A440 VanDerWaalsContact O-N 3.13Å
441	I	88.4	Confident	93.9	Very high	72 Å²	72	22.5 Å²	22.5	37%	0.369	12%	0.124	S	C	.	.	H	α-helix	trans	-91.9	-42.2	-179	-57.1	-57.7	0	0	0	110.8	V438 F439 A443 L444 T469 I470	V438-I441 PolarHBondContact O-N 3.33Å; F439-I441 VanDerWaalsContact C-N 3.32Å; F439-I441 PolarHBondContact O-N 2.91Å; I441-A443 PolarHBondContact O-N 2.84Å; I441-L444 WeakPolarHBondContact O-CB 3.34Å; I441-L444 WeakPolarHBondContact O-CG 3.3Å; I441-L444 PolarHBondContact O-N 3.44Å; I441-T469 HydrophobicContact CG1-CG2 4.26Å; I441-I470 HydrophobicContact CG2-CD1 4.42Å
442	D	95.6	Very high	93.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-76.7	-9.1	-175.3	-159	34.6	0	0	0	113.2	V438 L444 S447 I470 K474 G544 F545 Y625	V438-D442 HydrophobicContact CG2-CB 4.35Å; V438-D442 WeakPolarHBondContact O-CB 3.28Å; V438-D442 PolarHBondContact O-N 3.21Å; D442-L444 VanDerWaalsContact C-N 3.29Å; D442-S447 PolarHBondContact OD1-OG 3.28Å; D442-I470 HydrophobicContact CB-CD1 3.81Å; D442-K474 IonicContact OD1-NZ 3.8Å; D442-K474 WeakPolarHBondContact OD2-CD 3.2Å; D442-K474 VanDerWaalsContact OD2-CE 3.32Å; D442-K474 WeakPolarHBondContact OD2-CE 3.36Å; D442-K474 IonicContact OD2-NZ 3.35Å; D442-K474 PolarHBondContact OD2-NZ 3.02Å; D442-G544 VanDerWaalsContact CG-CA 3.41Å; D442-G544 VanDerWaalsContact O-CA 3.31Å; D442-G544 WeakPolarHBondContact O-CA 3.45Å; D442-G544 WeakPolarHBondContact OD1-CA 3.35Å; D442-G544 PolarHBondContact OD1-N 3.1Å; D442-G544 VanDerWaalsContact OD2-C 3.24Å; D442-G544 WeakPolarHBondContact OD2-CA 3.26Å; D442-G544 PolarHBondContact OD2-N 3.49Å; D442-F545 HydrophobicContact CB-CD1 4Å; D442-F545 HydrophobicContact CB-CE1 4.03Å; D442-Y625 PolarHBondContact OD2-OH 2.71Å
443	A	94.4	Very high	93.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.008	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	8.7	170.3	0	0	0	0	0	113.9	F439 I441 F545 F562 L563 L564	F439-A443 WeakPolarHBondContact O-CB 3.39Å; F439-A443 PolarHBondContact O-N 2.97Å; I441-A443 PolarHBondContact O-N 2.84Å; A443-F545 HydrophobicContact CB-CE1 3.98Å; A443-F545 HydrophobicContact CB-CZ 3.89Å; A443-F562 HydrophobicContact CB-CD1 3.64Å; A443-F562 HydrophobicContact CB-CE1 3.75Å; A443-L563 WeakPolarHBondContact O-CA 3.35Å; A443-L564 HydrophobicContact CB-CB 4.44Å; A443-L564 HydrophobicContact CB-CD1 4.06Å; A443-L564 HydrophobicContact CB-CG 3.72Å; A443-L564 PolarHBondContact O-N 2.85Å
444	L	88.1	Confident	93.5	Very high	57 Å²	57	30.8 Å²	30.8	30%	0.298	16%	0.161	S	C	.	.	S	Bend	trans	-99	145.5	176.4	-57	177.6	0	0	0	110.7	I441 D442 S446 S447 L564	I441-L444 WeakPolarHBondContact O-CB 3.34Å; I441-L444 WeakPolarHBondContact O-CG 3.3Å; I441-L444 PolarHBondContact O-N 3.44Å; D442-L444 VanDerWaalsContact C-N 3.29Å; L444-S446 PolarHBondContact O-N 2.97Å; L444-S447 WeakPolarHBondContact O-CB 3.42Å; L444-S447 PolarHBondContact O-N 3.19Å; L444-S447 VanDerWaalsContact O-N 3.09Å; L444-L564 HydrophobicContact CD2-CD1 4.28Å
445	A	88.1	Confident	93.2	Very high	26 Å²	26	36.7 Å²	36.7	22%	0.215	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.5	175.8	0	0	0	0	0	113.3	S447 M543 K569 V570	A445-S447 VanDerWaalsContact C-N 3.29Å; A445-S447 PolarHBondContact O-N 2.93Å; A445-M543 VanDerWaalsContact O-CE 3.26Å; A445-M543 WeakPolarHBondContact O-CE 3.15Å; A445-K569 WeakPolarHBondContact CB-O 3.35Å; A445-V570 HydrophobicContact CB-CG2 4.13Å
446	S	83.3	Confident	92.9	Very high	45 Å²	45	38.6 Å²	38.6	32%	0.315	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	5.1	175.5	70.5	0	0	0	0	114.3	L444	L444-S446 PolarHBondContact O-N 2.97Å
447	S	90.1	Very high	92.7	Very high	10 Å²	10	38.2 Å²	38.2	7%	0.07	20%	0.195	C	C	.	.			trans	-67	179	176.7	-167.5	0	0	0	0	111.6	D442 L444 A445	D442-S447 PolarHBondContact OD1-OG 3.28Å; L444-S447 WeakPolarHBondContact O-CB 3.42Å; L444-S447 PolarHBondContact O-N 3.19Å; L444-S447 VanDerWaalsContact O-N 3.09Å; A445-S447 VanDerWaalsContact C-N 3.29Å; A445-S447 PolarHBondContact O-N 2.93Å
448	H	92.8	Very high	92.6	Very high	25 Å²	25	35.6 Å²	35.6	12%	0.116	19%	0.186	C	C	.	.			trans	-143.2	160.1	172.8	65.5	83.4	0	0	0	111.8	N468	H448-N468 PolarHBondContact NE2-ND2 3.4Å; H448-N468 PolarHBondContact NE2-OD1 3.48Å
449	P	97.1	Very high	92.3	Very high	7 Å²	7	37 Å²	37	5%	0.045	20%	0.195	C	C	.	.			trans	-63.4	158.1	172.9	-18.1	31.5	0	0	0	111.9	T540 M543	P449-T540 VanDerWaalsContact CB-O 3.27Å; P449-T540 WeakPolarHBondContact CB-O 3.36Å; P449-M543 HydrophobicContact CG-CB 4.46Å
450	L	97.2	Very high	91.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.202	C	C	.	.	S	Bend	trans	-58.6	-49.3	173.9	-79.7	166.8	0	0	0	111.1	W403 I470 K474 V478 T540	W403-L450 HydrophobicContact CB-CD2 3.91Å; W403-L450 VanDerWaalsContact CD1-O 3.26Å; W403-L450 HydrophobicContact CD2-CB 4.18Å; W403-L450 HydrophobicContact CD2-CD1 4.49Å; W403-L450 HydrophobicContact CD2-CD2 4.41Å; W403-L450 HydrophobicContact CE3-CD1 4.46Å; W403-L450 HydrophobicContact CG-CB 3.98Å; W403-L450 HydrophobicContact CG-CD2 4.08Å; L450-I470 HydrophobicContact CD2-CG2 3.94Å; L450-I470 WeakPolarHBondContact CD2-O 3.34Å; L450-I470 HydrophobicContact CG-CG2 4.36Å; L450-K474 HydrophobicContact CD1-CD 4.38Å; L450-K474 HydrophobicContact CD1-CG 4.09Å; L450-K474 HydrophobicContact CD2-CB 4.14Å; L450-K474 HydrophobicContact CD2-CD 4.36Å; L450-K474 HydrophobicContact CD2-CG 4.11Å; L450-K474 HydrophobicContact CG-CD 4.04Å; L450-K474 HydrophobicContact CG-CG 4.1Å; L450-V478 HydrophobicContact CD1-CB 4.36Å; L450-V478 HydrophobicContact CD1-CG1 4.45Å; L450-V478 HydrophobicContact CD1-CG2 4.29Å; L450-T540 HydrophobicContact CB-CG2 4.48Å; L450-T540 HydrophobicContact CD1-CG2 3.96Å; L450-T540 PolarHBondContact N-O 3.19Å; L450-T540 VanDerWaalsContact N-O 3.07Å
451	S	96.6	Very high	91.2	Very high	6 Å²	6	39 Å²	39	4%	0.042	21%	0.21	C	C	.	.	S	Bend	trans	-98.4	112.4	173.8	-71	0	0	0	0	109.5	D401 W403 H509 T540	D401-S451 WeakPolarHBondContact OD1-CB 3.21Å; D401-S451 PolarHBondContact OD1-OG 2.94Å; W403-S451 PolarHBondContact NE1-OG 2.91Å; S451-H509 PolarHBondContact OG-ND1 2.91Å; S451-T540 PolarHBondContact N-O 3.12Å; S451-T540 VanDerWaalsContact N-O 3.1Å
452	R	93.7	Very high	91	Very high	46 Å²	46	38.5 Å²	38.5	17%	0.174	21%	0.206	C	C	.	.			trans	-84.1	165.4	168	-66.1	-178.5	71.4	-173.7	-0.1	109.9	N400 E456 V457 M466	N400-R452 WeakPolarHBondContact CB-O 3.49Å; N400-R452 PolarHBondContact ND2-O 3.49Å; N400-R452 PolarHBondContact O-N 3.23Å; R452-E456 IonicContact CZ-OE2 3.12Å; R452-E456 IonicContact NE-OE2 2.8Å; R452-E456 PolarHBondContact NE-OE2 3.28Å; R452-E456 IonicContact NH2-OE2 2.7Å; R452-E456 PolarHBondContact NH2-OE2 2.89Å; R452-V457 HydrophobicContact CB-CG2 4.09Å; R452-M466 VanDerWaalsContact CD-SD 3.52Å; R452-M466 HydrophobicContact CG-CE 4.36Å; R452-M466 HydrophobicContact CG-SD 4.2Å
453	K	92.8	Very high	90.7	Very high	128 Å²	128	38.6 Å²	38.6	56%	0.557	21%	0.207	S	C	*	.			trans	-70.9	145.8	169.4	-50.2	-172.1	-177.6	177.3	0	109.7	E455 E456	K453-E455 VanDerWaalsContact CB-CD 3.42Å; K453-E455 HydrophobicContact CB-CG 4.27Å; K453-E455 WeakPolarHBondContact CB-OE1 3.31Å; K453-E455 VanDerWaalsContact CB-OE2 3.28Å; K453-E455 WeakPolarHBondContact CB-OE2 3.5Å; K453-E455 WeakPolarHBondContact CD-OE1 3.42Å; K453-E455 PolarHBondContact O-N 3.41Å; K453-E456 HydrophobicContact CB-CG 4.28Å; K453-E456 WeakPolarHBondContact O-CB 3.35Å; K453-E456 PolarHBondContact O-N 2.96Å
454	E	93.1	Very high	90.1	Very high	62 Å²	62	41.1 Å²	41.1	29%	0.29	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-57.7	-38	-178.7	-73.8	-166.2	-147.5	0	0	112	R71 W398 E456 V457	R71-E454 IonicContact NH1-OE2 3.3Å; R71-E454 PolarHBondContact NH1-OE2 3.28Å; R71-E454 VanDerWaalsContact NH1-OE2 3.09Å; W398-E454 HydrophobicContact CB-CG 4.49Å; E454-E456 PolarHBondContact O-N 3.17Å; E454-E456 VanDerWaalsContact O-N 3.13Å; E454-V457 PolarHBondContact O-N 3.23Å
455	E	91.4	Very high	89.8	Confident	128 Å²	128	42.6 Å²	42.6	60%	0.598	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-66.2	-13	178.6	67.4	-90.7	-155.3	0	0	114.2	K453 N458	K453-E455 VanDerWaalsContact CB-CD 3.42Å; K453-E455 HydrophobicContact CB-CG 4.27Å; K453-E455 WeakPolarHBondContact CB-OE1 3.31Å; K453-E455 VanDerWaalsContact CB-OE2 3.28Å; K453-E455 WeakPolarHBondContact CB-OE2 3.5Å; K453-E455 WeakPolarHBondContact CD-OE1 3.42Å; K453-E455 PolarHBondContact O-N 3.41Å; E455-N458 VanDerWaalsContact C-ND2 3.34Å; E455-N458 PolarHBondContact O-ND2 3.05Å
456	E	91.3	Very high	89.7	Confident	45 Å²	45	41.4 Å²	41.4	21%	0.21	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-89	-6.6	175.3	-67	-173.1	-153.4	0	0	113.2	R452 K453 E454 R572	R452-E456 IonicContact CZ-OE2 3.12Å; R452-E456 IonicContact NE-OE2 2.8Å; R452-E456 PolarHBondContact NE-OE2 3.28Å; R452-E456 IonicContact NH2-OE2 2.7Å; R452-E456 PolarHBondContact NH2-OE2 2.89Å; K453-E456 HydrophobicContact CB-CG 4.28Å; K453-E456 WeakPolarHBondContact O-CB 3.35Å; K453-E456 PolarHBondContact O-N 2.96Å; E454-E456 PolarHBondContact O-N 3.17Å; E454-E456 VanDerWaalsContact O-N 3.13Å; E456-R572 IonicContact OE1-NH1 2.71Å; E456-R572 PolarHBondContact OE1-NH1 3.36Å; E456-R572 VanDerWaalsContact OE1-NH1 3.13Å; E456-R572 IonicContact OE2-CZ 3.39Å; E456-R572 IonicContact OE2-NH1 2.56Å; E456-R572 PolarHBondContact OE2-NH1 2.97Å; E456-R572 IonicContact OE2-NH2 2.77Å; E456-R572 PolarHBondContact OE2-NH2 2.74Å
457	V	93.6	Very high	89.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.215	C	C	.	.			trans	-136.1	88	-173.2	-173.3	0	0	0	0	109.6	W398 W399 N400 R452 E454 I463 M466	W398-V457 PolarHBondContact NE1-O 2.96Å; W399-V457 HydrophobicContact CB-CG1 4.26Å; N400-V457 HydrophobicContact CB-CB 4.47Å; N400-V457 HydrophobicContact CB-CG2 4.27Å; R452-V457 HydrophobicContact CB-CG2 4.09Å; E454-V457 PolarHBondContact O-N 3.23Å; V457-I463 HydrophobicContact CG1-CG1 3.84Å; V457-M466 HydrophobicContact CG1-CG 3.96Å; V457-M466 HydrophobicContact CG2-CG 4.21Å; V457-M466 HydrophobicContact CG2-SD 3.96Å
458	N	92.4	Very high	89.6	Confident	43 Å²	43	43.5 Å²	43.5	23%	0.23	22%	0.224	C	C	.	.			trans	-126.6	-41.9	-175.2	-66.5	-74.7	0	0	0	113.7	E455 E462	E455-N458 VanDerWaalsContact C-ND2 3.34Å; E455-N458 PolarHBondContact O-ND2 3.05Å; N458-E462 PolarHBondContact N-OE2 3.19Å
459	T	90.2	Very high	89.4	Confident	30 Å²	30	44 Å²	44	18%	0.184	23%	0.229	C	C	.	.	S	Bend	trans	-79.9	155.5	-177.9	71.2	0	0	0	0	111.1	Y70 A461 E462 I463	Y70-T459 HydrophobicContact CD1-CG2 4.44Å; Y70-T459 HydrophobicContact CD2-CG2 4.18Å; Y70-T459 HydrophobicContact CE1-CG2 4.05Å; Y70-T459 HydrophobicContact CE2-CG2 3.76Å; Y70-T459 HydrophobicContact CG-CG2 4.5Å; T459-A461 PolarHBondContact O-N 3.39Å; T459-E462 PolarHBondContact N-OE2 2.94Å; T459-E462 PolarHBondContact O-N 2.79Å; T459-E462 VanDerWaalsContact O-N 3.14Å; T459-E462 VanDerWaalsContact OG1-CG 3.3Å; T459-E462 WeakPolarHBondContact OG1-CG 3.46Å; T459-E462 PolarHBondContact OG1-N 3.1Å; T459-E462 PolarHBondContact OG1-OE2 3.08Å; T459-I463 WeakPolarHBondContact O-CG1 3.32Å; T459-I463 PolarHBondContact O-N 3.35Å
460	P	87.4	Confident	89.3	Confident	26 Å²	26	43.8 Å²	43.8	17%	0.169	23%	0.227	C	C	.	.	H	α-helix	trans	-52.8	-36	172.6	-30.4	37.3	0	0	0	113.8	I463 S464	P460-I463 PolarHBondContact O-N 2.91Å; P460-S464 WeakPolarHBondContact O-CB 3.31Å; P460-S464 PolarHBondContact O-N 3.39Å; P460-S464 PolarHBondContact O-OG 3.39Å; P460-S464 VanDerWaalsContact O-OG 3.05Å
461	A	78.8	Confident	89.3	Confident	63 Å²	63	43.8 Å²	43.8	52%	0.521	23%	0.227	S	C	.	.	H	α-helix	trans	-67	-46.3	177.6	0	0	0	0	0	112.2	T459 I463 S464 E465	T459-A461 PolarHBondContact O-N 3.39Å; A461-I463 VanDerWaalsContact C-N 3.31Å; A461-I463 PolarHBondContact O-N 2.87Å; A461-S464 WeakPolarHBondContact O-CB 3.49Å; A461-S464 PolarHBondContact O-N 2.92Å; A461-E465 WeakPolarHBondContact O-CG 3.11Å; A461-E465 PolarHBondContact O-N 3.43Å
462	E	83.1	Confident	89.3	Confident	60 Å²	60	46.3 Å²	46.3	28%	0.28	24%	0.236	S	C	.	.	H	α-helix	trans	-63.7	-36.7	176	-69.6	161.5	169.7	0	0	111.9	N458 T459 E465 M466	N458-E462 PolarHBondContact N-OE2 3.19Å; T459-E462 PolarHBondContact N-OE2 2.94Å; T459-E462 PolarHBondContact O-N 2.79Å; T459-E462 VanDerWaalsContact O-N 3.14Å; T459-E462 VanDerWaalsContact OG1-CG 3.3Å; T459-E462 WeakPolarHBondContact OG1-CG 3.46Å; T459-E462 PolarHBondContact OG1-N 3.1Å; T459-E462 PolarHBondContact OG1-OE2 3.08Å; E462-E465 WeakPolarHBondContact O-CB 3.45Å; E462-E465 PolarHBondContact O-N 3.48Å; E462-M466 PolarHBondContact O-N 3.21Å
463	I	89	Confident	89.5	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.015	23%	0.231	C	C	.	.	H	α-helix	trans	-63.4	-47.6	173.3	-67.9	164	0	0	0	110	A210 T211 W398 W399 V457 T459 P460 A461 E465 M466 F467	A210-I463 HydrophobicContact CB-CG2 3.43Å; A210-I463 VanDerWaalsContact CB-CG2 3.43Å; T211-I463 HydrophobicContact CG2-CD1 3.76Å; W398-I463 HydrophobicContact CH2-CD1 4.04Å; W398-I463 HydrophobicContact CZ2-CD1 3.9Å; W398-I463 HydrophobicContact CZ2-CG1 4.43Å; W399-I463 HydrophobicContact CB-CG1 4.11Å; W399-I463 HydrophobicContact CB-CG2 3.93Å; W399-I463 HydrophobicContact CD2-CG2 3.81Å; W399-I463 HydrophobicContact CE3-CG2 4.45Å; W399-I463 HydrophobicContact CG-CB 4.41Å; W399-I463 HydrophobicContact CG-CD1 4.36Å; W399-I463 HydrophobicContact CG-CG1 4.06Å; W399-I463 HydrophobicContact CG-CG2 3.54Å; V457-I463 HydrophobicContact CG1-CG1 3.84Å; T459-I463 WeakPolarHBondContact O-CG1 3.32Å; T459-I463 PolarHBondContact O-N 3.35Å; P460-I463 PolarHBondContact O-N 2.91Å; A461-I463 VanDerWaalsContact C-N 3.31Å; A461-I463 PolarHBondContact O-N 2.87Å; I463-E465 PolarHBondContact O-N 3.33Å; I463-M466 WeakPolarHBondContact O-CB 3.17Å; I463-M466 PolarHBondContact O-N 2.88Å; I463-F467 HydrophobicContact CG2-CE2 4.26Å; I463-F467 WeakPolarHBondContact O-CD2 3.45Å
464	S	82.9	Confident	89.8	Confident	53 Å²	53	38.6 Å²	38.6	37%	0.371	21%	0.205	S	C	.	.	H	α-helix	trans	-59.7	-33.6	175.9	-65.3	0	0	0	0	112.7	P460 A461 M466 F467	P460-S464 WeakPolarHBondContact O-CB 3.31Å; P460-S464 PolarHBondContact O-N 3.39Å; P460-S464 PolarHBondContact O-OG 3.39Å; P460-S464 VanDerWaalsContact O-OG 3.05Å; A461-S464 WeakPolarHBondContact O-CB 3.49Å; A461-S464 PolarHBondContact O-N 2.92Å; S464-M466 PolarHBondContact O-N 2.96Å; S464-F467 PolarHBondContact O-N 3.39Å; S464-F467 VanDerWaalsContact O-N 3.15Å
465	E	80.7	Confident	90.1	Very high	89 Å²	89	35.7 Å²	35.7	42%	0.416	19%	0.191	S	C	.	.	H	α-helix	trans	-64.9	-22.7	176	-75.5	177	-175.9	0	0	113.4	A461 E462 I463 F467 N468	A461-E465 WeakPolarHBondContact O-CG 3.11Å; A461-E465 PolarHBondContact O-N 3.43Å; E462-E465 WeakPolarHBondContact O-CB 3.45Å; E462-E465 PolarHBondContact O-N 3.48Å; I463-E465 PolarHBondContact O-N 3.33Å; E465-F467 PolarHBondContact O-N 3.02Å; E465-N468 PolarHBondContact O-ND2 3.38Å
466	M	86.9	Confident	90.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-20.8	174.8	-65	-60.8	-62.6	0	0	112.7	L402 R452 V457 E462 I463 S464 N468 S471	L402-M466 HydrophobicContact CB-CB 4.42Å; L402-M466 HydrophobicContact CD2-CB 3.82Å; R452-M466 VanDerWaalsContact CD-SD 3.52Å; R452-M466 HydrophobicContact CG-CE 4.36Å; R452-M466 HydrophobicContact CG-SD 4.2Å; V457-M466 HydrophobicContact CG1-CG 3.96Å; V457-M466 HydrophobicContact CG2-CG 4.21Å; V457-M466 HydrophobicContact CG2-SD 3.96Å; E462-M466 PolarHBondContact O-N 3.21Å; I463-M466 WeakPolarHBondContact O-CB 3.17Å; I463-M466 PolarHBondContact O-N 2.88Å; S464-M466 PolarHBondContact O-N 2.96Å; M466-N468 VanDerWaalsContact C-N 3.27Å; M466-N468 PolarHBondContact O-N 3.28Å; M466-S471 VanDerWaalsContact O-CB 3.24Å; M466-S471 WeakPolarHBondContact O-CB 2.89Å; M466-S471 PolarHBondContact O-OG 2.7Å
467	F	86.4	Confident	90.8	Very high	52 Å²	52	27.7 Å²	27.7	23%	0.228	15%	0.154	C	C	.	.	S	Bend	trans	-80.7	71.8	177.1	-66.9	-95.6	0	0	0	110.8	Q209 A210 W399 L402 I463 S464 E465 Y472	Q209-F467 VanDerWaalsContact CD-CE1 3.43Å; Q209-F467 HydrophobicContact CG-CE1 4.06Å; Q209-F467 HydrophobicContact CG-CZ 3.81Å; A210-F467 HydrophobicContact CB-CE2 3.83Å; A210-F467 HydrophobicContact CB-CZ 4.07Å; W399-F467 HydrophobicContact CE3-CE2 4.39Å; W399-F467 HydrophobicContact CE3-CZ 4.12Å; W399-F467 HydrophobicContact CZ3-CE2 4.49Å; W399-F467 AromaticContact CZ3-CZ 3.83Å; W399-F467 HydrophobicContact CZ3-CZ 3.83Å; L402-F467 HydrophobicContact CD1-CE1 3.77Å; L402-F467 HydrophobicContact CD1-CZ 3.76Å; L402-F467 HydrophobicContact CD2-CB 4.44Å; L402-F467 HydrophobicContact CD2-CD1 3.64Å; L402-F467 HydrophobicContact CD2-CD2 3.65Å; L402-F467 HydrophobicContact CD2-CE1 3.6Å; L402-F467 HydrophobicContact CD2-CE2 3.62Å; L402-F467 HydrophobicContact CD2-CG 3.66Å; L402-F467 HydrophobicContact CD2-CZ 3.6Å; L402-F467 HydrophobicContact CG-CE1 4.31Å; L402-F467 HydrophobicContact CG-CZ 4.34Å; I463-F467 HydrophobicContact CG2-CE2 4.26Å; I463-F467 WeakPolarHBondContact O-CD2 3.45Å; S464-F467 PolarHBondContact O-N 3.39Å; S464-F467 VanDerWaalsContact O-N 3.15Å; E465-F467 PolarHBondContact O-N 3.02Å; F467-Y472 HydrophobicContact CB-CE2 4.45Å; F467-Y472 HydrophobicContact CD1-CE2 4.37Å
468	N	83.8	Confident	91	Very high	47 Å²	47	27.7 Å²	27.7	25%	0.251	15%	0.154	S	C	.	.	S	Bend	trans	-140.9	178.3	-172.9	72.3	34.7	0	0	0	113.4	H448 E465 M466 I470 S471 Y472	H448-N468 PolarHBondContact NE2-ND2 3.4Å; H448-N468 PolarHBondContact NE2-OD1 3.48Å; E465-N468 PolarHBondContact O-ND2 3.38Å; M466-N468 VanDerWaalsContact C-N 3.27Å; M466-N468 PolarHBondContact O-N 3.28Å; N468-I470 PolarHBondContact O-N 3.02Å; N468-I470 VanDerWaalsContact O-N 3.09Å; N468-I470 WeakPolarHBondContact OD1-CA 3.38Å; N468-I470 VanDerWaalsContact OD1-CB 3.26Å; N468-I470 WeakPolarHBondContact OD1-CB 3.28Å; N468-I470 PolarHBondContact OD1-N 2.9Å; N468-S471 PolarHBondContact O-N 3.16Å; N468-S471 PolarHBondContact OD1-N 3.24Å; N468-Y472 VanDerWaalsContact O-CD2 3.29Å; N468-Y472 WeakPolarHBondContact O-CD2 3.49Å; N468-Y472 PolarHBondContact O-N 3.47Å
469	T	89.4	Confident	91.3	Very high	36 Å²	36	25.6 Å²	25.6	22%	0.221	14%	0.143	C	C	.	.	H	α-helix	trans	-56.8	-26.9	-177.8	-55.4	0	0	0	0	113.8	K437 V438 I441 N473 K474	K437-T469 HydrophobicContact CG-CG2 4.34Å; V438-T469 HydrophobicContact CB-CG2 3.87Å; V438-T469 HydrophobicContact CG2-CG2 3.85Å; I441-T469 HydrophobicContact CG1-CG2 4.26Å; T469-N473 HydrophobicContact CG2-CB 4.06Å; T469-N473 WeakPolarHBondContact CG2-OD1 3.47Å; T469-N473 WeakPolarHBondContact O-CA 3.31Å; T469-N473 VanDerWaalsContact O-CB 3.27Å; T469-N473 WeakPolarHBondContact O-CB 3.48Å; T469-N473 PolarHBondContact O-N 3.2Å; T469-K474 PolarHBondContact O-N 3.35Å
470	I	95	Very high	91.7	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.015	14%	0.139	C	C	.	.	I	π-helix	trans	-69.1	-54.6	176.1	-58.2	-59.4	0	0	0	110	V438 I441 D442 L450 N468 Y472 K474 G475	V438-I470 HydrophobicContact CG2-CD1 3.88Å; I441-I470 HydrophobicContact CG2-CD1 4.42Å; D442-I470 HydrophobicContact CB-CD1 3.81Å; L450-I470 HydrophobicContact CD2-CG2 3.94Å; L450-I470 WeakPolarHBondContact CD2-O 3.34Å; L450-I470 HydrophobicContact CG-CG2 4.36Å; N468-I470 PolarHBondContact O-N 3.02Å; N468-I470 VanDerWaalsContact O-N 3.09Å; N468-I470 WeakPolarHBondContact OD1-CA 3.38Å; N468-I470 VanDerWaalsContact OD1-CB 3.26Å; N468-I470 WeakPolarHBondContact OD1-CB 3.28Å; N468-I470 PolarHBondContact OD1-N 2.9Å; I470-Y472 VanDerWaalsContact C-N 3.35Å; I470-Y472 PolarHBondContact O-N 3.41Å; I470-K474 HydrophobicContact CG2-CB 4.4Å; I470-K474 HydrophobicContact CG2-CD 4.13Å; I470-K474 WeakPolarHBondContact O-CA 3.28Å; I470-K474 VanDerWaalsContact O-CB 3.26Å; I470-K474 WeakPolarHBondContact O-CB 3.3Å; I470-K474 PolarHBondContact O-N 3.04Å; I470-K474 VanDerWaalsContact O-N 3.16Å; I470-G475 PolarHBondContact O-N 3.45Å; I470-G475 VanDerWaalsContact O-N 3.13Å
471	S	96.3	Very high	92.2	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.131	C	C	.	.	I	π-helix	trans	-60.8	-41.5	-176.6	-58.9	0	0	0	0	113.3	G407 M466 N468	G407-S471 WeakPolarHBondContact CA-O 3.29Å; G407-S471 PolarHBondContact N-O 3.48Å; M466-S471 VanDerWaalsContact O-CB 3.24Å; M466-S471 WeakPolarHBondContact O-CB 2.89Å; M466-S471 PolarHBondContact O-OG 2.7Å; N468-S471 PolarHBondContact O-N 3.16Å; N468-S471 PolarHBondContact OD1-N 3.24Å
472	Y	97.6	Very high	93.2	Very high	58 Å²	58	21 Å²	21	23%	0.227	11%	0.106	C	C	.	.	I	π-helix	trans	-79.4	-68.9	179.4	-71.6	-103.9	0	0	0	111.3	E406 S410 F467 N468 I470 G475 A476	E406-Y472 HydrophobicContact CB-CD1 3.92Å; E406-Y472 HydrophobicContact CB-CD2 4.02Å; E406-Y472 HydrophobicContact CB-CE1 3.82Å; E406-Y472 HydrophobicContact CB-CE2 3.95Å; E406-Y472 HydrophobicContact CB-CG 4.01Å; E406-Y472 HydrophobicContact CG-CD2 4.41Å; E406-Y472 HydrophobicContact CG-CE1 4.01Å; E406-Y472 HydrophobicContact CG-CE2 3.85Å; E406-Y472 PolarHBondContact OE1-OH 2.94Å; E406-Y472 WeakPolarHBondContact OE2-CE1 3.35Å; E406-Y472 PolarHBondContact OE2-OH 3.24Å; S410-Y472 WeakPolarHBondContact OG-CD1 3Å; F467-Y472 HydrophobicContact CB-CE2 4.45Å; F467-Y472 HydrophobicContact CD1-CE2 4.37Å; N468-Y472 VanDerWaalsContact O-CD2 3.29Å; N468-Y472 WeakPolarHBondContact O-CD2 3.49Å; N468-Y472 PolarHBondContact O-N 3.47Å; I470-Y472 VanDerWaalsContact C-N 3.35Å; I470-Y472 PolarHBondContact O-N 3.41Å; Y472-G475 PolarHBondContact O-N 3.15Å; Y472-A476 WeakPolarHBondContact O-CB 3.22Å; Y472-A476 PolarHBondContact O-N 3.29Å
473	N	98.4	Very high	93.9	Very high	13 Å²	13	18.3 Å²	18.3	7%	0.07	9%	0.093	C	C	.	.	I	π-helix	trans	-79.7	-37.4	-164.5	-56.3	107.9	0	0	0	112.5	Y433 D434 K437 V438 T469 A477	Y433-N473 PolarHBondContact O-ND2 3.31Å; D434-N473 HydrophobicContact CB-CB 4.15Å; D434-N473 WeakPolarHBondContact OD1-CA 3.46Å; D434-N473 PolarHBondContact OD1-ND2 3.38Å; K437-N473 PolarHBondContact NZ-OD1 3.31Å; V438-N473 HydrophobicContact CB-CB 3.81Å; V438-N473 HydrophobicContact CG1-CB 4.28Å; V438-N473 HydrophobicContact CG2-CB 4.43Å; T469-N473 HydrophobicContact CG2-CB 4.06Å; T469-N473 WeakPolarHBondContact CG2-OD1 3.47Å; T469-N473 WeakPolarHBondContact O-CA 3.31Å; T469-N473 VanDerWaalsContact O-CB 3.27Å; T469-N473 WeakPolarHBondContact O-CB 3.48Å; T469-N473 PolarHBondContact O-N 3.2Å; N473-A477 VanDerWaalsContact O-CB 3.32Å; N473-A477 WeakPolarHBondContact O-CB 3.4Å; N473-A477 PolarHBondContact O-N 2.74Å
474	K	98.6	Very high	94.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.109	C	C	.	.	I	π-helix	trans	-72.4	-38.6	171.3	178.1	179.4	-175.4	166.7	0	110.7	V438 D442 L450 T469 I470 A476 A477 V478 G544 Y625	V438-K474 HydrophobicContact CG1-CB 4.24Å; V438-K474 HydrophobicContact CG2-CB 3.66Å; D442-K474 IonicContact OD1-NZ 3.8Å; D442-K474 WeakPolarHBondContact OD2-CD 3.2Å; D442-K474 VanDerWaalsContact OD2-CE 3.32Å; D442-K474 WeakPolarHBondContact OD2-CE 3.36Å; D442-K474 IonicContact OD2-NZ 3.35Å; D442-K474 PolarHBondContact OD2-NZ 3.02Å; L450-K474 HydrophobicContact CD1-CD 4.38Å; L450-K474 HydrophobicContact CD1-CG 4.09Å; L450-K474 HydrophobicContact CD2-CB 4.14Å; L450-K474 HydrophobicContact CD2-CD 4.36Å; L450-K474 HydrophobicContact CD2-CG 4.11Å; L450-K474 HydrophobicContact CG-CD 4.04Å; L450-K474 HydrophobicContact CG-CG 4.1Å; T469-K474 PolarHBondContact O-N 3.35Å; I470-K474 HydrophobicContact CG2-CB 4.4Å; I470-K474 HydrophobicContact CG2-CD 4.13Å; I470-K474 WeakPolarHBondContact O-CA 3.28Å; I470-K474 VanDerWaalsContact O-CB 3.26Å; I470-K474 WeakPolarHBondContact O-CB 3.3Å; I470-K474 PolarHBondContact O-N 3.04Å; I470-K474 VanDerWaalsContact O-N 3.16Å; K474-A476 VanDerWaalsContact C-N 3.35Å; K474-A476 PolarHBondContact O-N 3.1Å; K474-A477 PolarHBondContact O-N 3.16Å; K474-V478 HydrophobicContact CG-CG2 3.93Å; K474-V478 VanDerWaalsContact O-CB 3.31Å; K474-V478 WeakPolarHBondContact O-CB 3.4Å; K474-V478 VanDerWaalsContact O-CG2 3.3Å; K474-V478 WeakPolarHBondContact O-CG2 3.04Å; K474-V478 PolarHBondContact O-N 3.48Å; K474-G544 PolarHBondContact NZ-O 2.64Å; K474-Y625 HydrophobicContact CD-CE1 3.95Å; K474-Y625 HydrophobicContact CG-CD1 4.47Å; K474-Y625 HydrophobicContact CG-CE1 3.81Å
475	G	98.5	Very high	94.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-52.5	-53.9	172.6	0	0	0	0	0	110.9	I470 Y472 A477 V478 L479	I470-G475 PolarHBondContact O-N 3.45Å; I470-G475 VanDerWaalsContact O-N 3.13Å; Y472-G475 PolarHBondContact O-N 3.15Å; G475-A477 PolarHBondContact O-N 3.21Å; G475-V478 PolarHBondContact O-N 2.81Å; G475-L479 WeakPolarHBondContact O-CB 3.36Å; G475-L479 VanDerWaalsContact O-CG 3.23Å; G475-L479 WeakPolarHBondContact O-CG 3.44Å; G475-L479 PolarHBondContact O-N 2.53Å
476	A	98.7	Very high	95.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60	-47.2	177.2	0	0	0	0	0	113.4	G407 Y472 K474 V478 L479 R480	G407-A476 WeakPolarHBondContact O-CA 3.35Å; G407-A476 PolarHBondContact O-N 3.47Å; Y472-A476 WeakPolarHBondContact O-CB 3.22Å; Y472-A476 PolarHBondContact O-N 3.29Å; K474-A476 VanDerWaalsContact C-N 3.35Å; K474-A476 PolarHBondContact O-N 3.1Å; A476-V478 PolarHBondContact O-N 3.43Å; A476-L479 PolarHBondContact O-N 2.73Å; A476-R480 WeakPolarHBondContact O-CB 3.49Å; A476-R480 PolarHBondContact O-N 3.14Å
477	A	98.6	Very high	96.2	Very high	5 Å²	5	18.3 Å²	18.3	4%	0.041	9%	0.093	C	C	.	.	H	α-helix	trans	-62.9	-40.2	-179	0	0	0	0	0	112.8	V435 N473 K474 G475 M481 Y625	V435-A477 HydrophobicContact CG2-CB 3.89Å; N473-A477 VanDerWaalsContact O-CB 3.32Å; N473-A477 WeakPolarHBondContact O-CB 3.4Å; N473-A477 PolarHBondContact O-N 2.74Å; K474-A477 PolarHBondContact O-N 3.16Å; G475-A477 PolarHBondContact O-N 3.21Å; A477-M481 WeakPolarHBondContact O-CB 3.3Å; A477-M481 PolarHBondContact O-N 3.15Å; A477-Y625 HydrophobicContact CB-CD2 3.56Å; A477-Y625 HydrophobicContact CB-CE2 3.92Å; A477-Y625 HydrophobicContact CB-CG 4.39Å
478	V	98.7	Very high	96.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-72.4	-37.5	178.5	169.1	0	0	0	0	111.2	L450 K474 G475 A476 M481 L482 M536 W539 Y625	L450-V478 HydrophobicContact CD1-CB 4.36Å; L450-V478 HydrophobicContact CD1-CG1 4.45Å; L450-V478 HydrophobicContact CD1-CG2 4.29Å; K474-V478 HydrophobicContact CG-CG2 3.93Å; K474-V478 VanDerWaalsContact O-CB 3.31Å; K474-V478 WeakPolarHBondContact O-CB 3.4Å; K474-V478 VanDerWaalsContact O-CG2 3.3Å; K474-V478 WeakPolarHBondContact O-CG2 3.04Å; K474-V478 PolarHBondContact O-N 3.48Å; G475-V478 PolarHBondContact O-N 2.81Å; A476-V478 PolarHBondContact O-N 3.43Å; V478-M481 HydrophobicContact CG1-CE 4.41Å; V478-M481 PolarHBondContact O-N 3.34Å; V478-L482 WeakPolarHBondContact O-CB 3.47Å; V478-L482 PolarHBondContact O-N 2.76Å; V478-M536 HydrophobicContact CG1-CE 3.24Å; V478-W539 HydrophobicContact CG1-CB 3.79Å; V478-W539 HydrophobicContact CG1-CG 4.49Å; V478-W539 HydrophobicContact CG2-CB 4.36Å; V478-Y625 HydrophobicContact CG2-CD1 4.1Å; V478-Y625 HydrophobicContact CG2-CG 4.25Å
479	L	98.6	Very high	97.2	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-68.3	-39.8	173.9	-71.9	170.1	0	0	0	112.4	W403 F408 Y411 G475 A476 L482 S483 F491	W403-L479 HydrophobicContact CZ3-CD1 4.37Å; W403-L479 HydrophobicContact CZ3-CD2 4.17Å; W403-L479 HydrophobicContact CZ3-CG 4.26Å; F408-L479 HydrophobicContact CB-CD1 4.22Å; F408-L479 HydrophobicContact CD1-CD1 3.93Å; F408-L479 HydrophobicContact CD2-CD1 3.39Å; F408-L479 HydrophobicContact CD2-CD2 4.26Å; F408-L479 HydrophobicContact CD2-CG 4.47Å; F408-L479 HydrophobicContact CE1-CD1 4.09Å; F408-L479 HydrophobicContact CE1-CD2 4Å; F408-L479 HydrophobicContact CE2-CD1 3.6Å; F408-L479 HydrophobicContact CE2-CD2 3.55Å; F408-L479 HydrophobicContact CE2-CG 4.23Å; F408-L479 HydrophobicContact CG-CD1 3.59Å; F408-L479 HydrophobicContact CZ-CD1 3.96Å; F408-L479 HydrophobicContact CZ-CD2 3.41Å; F408-L479 VanDerWaalsContact CZ-CD2 3.41Å; F408-L479 HydrophobicContact CZ-CG 4.33Å; Y411-L479 HydrophobicContact CD1-CB 4.31Å; Y411-L479 HydrophobicContact CG-CB 4.43Å; G475-L479 WeakPolarHBondContact O-CB 3.36Å; G475-L479 VanDerWaalsContact O-CG 3.23Å; G475-L479 WeakPolarHBondContact O-CG 3.44Å; G475-L479 PolarHBondContact O-N 2.53Å; A476-L479 PolarHBondContact O-N 2.73Å; L479-L482 HydrophobicContact CD2-CD2 4.22Å; L479-L482 WeakPolarHBondContact O-CB 3.44Å; L479-L482 PolarHBondContact O-N 3.5Å; L479-S483 PolarHBondContact O-N 3.22Å; L479-F491 HydrophobicContact CD2-CZ 4.33Å
480	R	98.4	Very high	97.7	Very high	22 Å²	22	19.8 Å²	19.8	8%	0.083	11%	0.106	C	C	.	.	H	α-helix	trans	-59.7	-47.7	171.2	179	173.9	166.5	-87.6	4.9	111	Y411 I430 A476 L482 S483 E484 N621 V622	Y411-R480 HydrophobicContact CD2-CB 3.78Å; Y411-R480 HydrophobicContact CD2-CG 4.45Å; Y411-R480 HydrophobicContact CE2-CB 3.61Å; Y411-R480 HydrophobicContact CE2-CG 3.88Å; I430-R480 HydrophobicContact CD1-CB 4.3Å; A476-R480 WeakPolarHBondContact O-CB 3.49Å; A476-R480 PolarHBondContact O-N 3.14Å; R480-L482 VanDerWaalsContact C-N 3.27Å; R480-L482 PolarHBondContact O-N 3.07Å; R480-S483 PolarHBondContact O-N 3.43Å; R480-E484 HydrophobicContact CG-CG 4.32Å; R480-E484 WeakPolarHBondContact O-CB 3.42Å; R480-E484 VanDerWaalsContact O-CG 3.27Å; R480-E484 WeakPolarHBondContact O-CG 3.42Å; R480-E484 PolarHBondContact O-N 2.91Å; R480-N621 PolarHBondContact NH2-O 3.43Å; R480-V622 PolarHBondContact NH1-O 3.34Å
481	M	98.7	Very high	97.8	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-58.6	-41.1	176.3	173.7	-174.9	74.3	0	0	111.9	A477 V478 E484 F485 W539 P583 S623 Y625	A477-M481 WeakPolarHBondContact O-CB 3.3Å; A477-M481 PolarHBondContact O-N 3.15Å; V478-M481 HydrophobicContact CG1-CE 4.41Å; V478-M481 PolarHBondContact O-N 3.34Å; M481-E484 WeakPolarHBondContact O-CB 3Å; M481-E484 PolarHBondContact O-N 2.55Å; M481-F485 HydrophobicContact CG-CD1 4.34Å; M481-F485 WeakPolarHBondContact O-CD1 3.3Å; M481-F485 PolarHBondContact O-N 3.03Å; M481-W539 HydrophobicContact CE-CD2 3.51Å; M481-W539 HydrophobicContact CE-CE3 4.09Å; M481-W539 HydrophobicContact CE-CG 3.73Å; M481-W539 HydrophobicContact CE-CH2 4.4Å; M481-W539 HydrophobicContact CE-CZ2 3.86Å; M481-W539 HydrophobicContact SD-CD2 4.49Å; M481-W539 HydrophobicContact SD-CH2 4.17Å; M481-W539 HydrophobicContact SD-CZ2 3.87Å; M481-P583 HydrophobicContact CG-CG 3.93Å; M481-P583 HydrophobicContact SD-CG 3.98Å; M481-S623 VanDerWaalsContact CA-O 3.3Å; M481-S623 WeakPolarHBondContact CA-O 3.42Å; M481-S623 WeakPolarHBondContact CB-O 3.39Å; M481-Y625 PolarHBondContact SD-N 3.26Å
482	L	98.5	Very high	97.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.6	-48.6	174.6	172	62.1	0	0	0	112.1	V478 L479 R480 E484 F485 L486 F491 W513 L516 V532 M536	V478-L482 WeakPolarHBondContact O-CB 3.47Å; V478-L482 PolarHBondContact O-N 2.76Å; L479-L482 HydrophobicContact CD2-CD2 4.22Å; L479-L482 WeakPolarHBondContact O-CB 3.44Å; L479-L482 PolarHBondContact O-N 3.5Å; R480-L482 VanDerWaalsContact C-N 3.27Å; R480-L482 PolarHBondContact O-N 3.07Å; L482-E484 VanDerWaalsContact C-N 3.29Å; L482-E484 PolarHBondContact O-N 2.98Å; L482-F485 VanDerWaalsContact CA-CE1 3.46Å; L482-F485 HydrophobicContact CB-CE1 4.21Å; L482-F485 HydrophobicContact CB-CZ 4.29Å; L482-F485 HydrophobicContact CD1-CE1 4Å; L482-F485 HydrophobicContact CD1-CE2 3.59Å; L482-F485 HydrophobicContact CD1-CZ 3.23Å; L482-F485 HydrophobicContact CG-CZ 4.33Å; L482-F485 PolarHBondContact O-N 3.39Å; L482-L486 HydrophobicContact CD1-CD1 3.48Å; L482-L486 VanDerWaalsContact CD1-CD1 3.48Å; L482-L486 HydrophobicContact CD1-CG 3.88Å; L482-L486 HydrophobicContact CG-CD1 4.09Å; L482-L486 WeakPolarHBondContact O-CB 3.39Å; L482-L486 VanDerWaalsContact O-CG 3.3Å; L482-L486 WeakPolarHBondContact O-CG 3.29Å; L482-L486 PolarHBondContact O-N 3.05Å; L482-F491 HydrophobicContact CD2-CD2 4.46Å; L482-F491 HydrophobicContact CD2-CE2 3.9Å; L482-F491 HydrophobicContact CG-CD2 4.18Å; L482-F491 HydrophobicContact CG-CE2 4.01Å; L482-W513 HydrophobicContact CD2-CE3 4.47Å; L482-W513 HydrophobicContact CD2-CH2 4.22Å; L482-W513 HydrophobicContact CD2-CZ3 3.55Å; L482-L516 HydrophobicContact CD2-CD1 3.78Å; L482-V532 HydrophobicContact CD1-CG1 4.29Å; L482-M536 HydrophobicContact CB-CE 4.03Å; L482-M536 HydrophobicContact CB-SD 4.11Å; L482-M536 HydrophobicContact CD1-CG 4.15Å; L482-M536 HydrophobicContact CD1-SD 3.86Å; L482-M536 HydrophobicContact CD2-CE 3.94Å; L482-M536 HydrophobicContact CD2-CG 4.28Å; L482-M536 HydrophobicContact CD2-SD 4.18Å; L482-M536 HydrophobicContact CG-CE 4.45Å; L482-M536 HydrophobicContact CG-SD 4.29Å
483	S	98.1	Very high	97.9	Very high	2 Å²	2	22 Å²	22	1%	0.014	12%	0.12	C	C	.	.	H	α-helix	trans	-59.7	-40.9	174.7	-169	0	0	0	0	111.6	L479 R480 F485 L486 S487 E488	L479-S483 PolarHBondContact O-N 3.22Å; R480-S483 PolarHBondContact O-N 3.43Å; S483-F485 PolarHBondContact O-N 2.81Å; S483-L486 PolarHBondContact O-N 3.47Å; S483-S487 CarbonylContact O-C 3.58Å; S483-S487 VanDerWaalsContact O-C 3.25Å; S483-S487 WeakPolarHBondContact O-CA 3.49Å; S483-S487 PolarHBondContact O-N 3.05Å; S483-E488 WeakPolarHBondContact OG-CA 3.42Å; S483-E488 PolarHBondContact OG-OE2 3.4Å
484	E	96.6	Very high	97.9	Very high	75 Å²	75	21.4 Å²	21.4	35%	0.35	12%	0.116	S	C	.	.	H	α-helix	trans	-61.5	-36.9	-179.4	-81	-70.7	159	0	0	114.3	R480 M481 L482 K585	R480-E484 HydrophobicContact CG-CG 4.32Å; R480-E484 WeakPolarHBondContact O-CB 3.42Å; R480-E484 VanDerWaalsContact O-CG 3.27Å; R480-E484 WeakPolarHBondContact O-CG 3.42Å; R480-E484 PolarHBondContact O-N 2.91Å; M481-E484 WeakPolarHBondContact O-CB 3Å; M481-E484 PolarHBondContact O-N 2.55Å; L482-E484 VanDerWaalsContact C-N 3.29Å; L482-E484 PolarHBondContact O-N 2.98Å; E484-K585 PolarHBondContact O-NZ 2.98Å; E484-K585 IonicContact OE2-NZ 3.82Å; E484-K585 PolarHBondContact OE2-NZ 2.72Å
485	F	97.1	Very high	97.9	Very high	13 Å²	13	21.4 Å²	21.4	6%	0.057	12%	0.116	C	C	.	.	H	α-helix	trans	-90.9	-18.1	177.6	71.7	-115.9	0	0	0	113.6	M481 L482 S483 I528 I535 M536 P583 W597	M481-F485 HydrophobicContact CG-CD1 4.34Å; M481-F485 WeakPolarHBondContact O-CD1 3.3Å; M481-F485 PolarHBondContact O-N 3.03Å; L482-F485 VanDerWaalsContact CA-CE1 3.46Å; L482-F485 HydrophobicContact CB-CE1 4.21Å; L482-F485 HydrophobicContact CB-CZ 4.29Å; L482-F485 HydrophobicContact CD1-CE1 4Å; L482-F485 HydrophobicContact CD1-CE2 3.59Å; L482-F485 HydrophobicContact CD1-CZ 3.23Å; L482-F485 HydrophobicContact CG-CZ 4.33Å; L482-F485 PolarHBondContact O-N 3.39Å; S483-F485 PolarHBondContact O-N 2.81Å; F485-I528 HydrophobicContact CD2-CG2 4.11Å; F485-I528 HydrophobicContact CE2-CG2 4.37Å; F485-I535 HydrophobicContact CE1-CG2 4.31Å; F485-I535 HydrophobicContact CZ-CG2 4.06Å; F485-M536 HydrophobicContact CE1-SD 4.29Å; F485-M536 HydrophobicContact CZ-SD 4.05Å; F485-P583 HydrophobicContact CB-CB 4.48Å; F485-P583 HydrophobicContact CD1-CB 4.42Å; F485-P583 HydrophobicContact CD1-CG 4.05Å; F485-W597 HydrophobicContact CB-CH2 4.45Å; F485-W597 HydrophobicContact CB-CZ2 4.14Å; F485-W597 AromaticContact CD1-CH2 3.97Å; F485-W597 HydrophobicContact CD1-CH2 3.97Å; F485-W597 HydrophobicContact CD1-CZ2 4.48Å; F485-W597 HydrophobicContact CD2-CH2 4.14Å; F485-W597 HydrophobicContact CD2-CZ2 4.18Å; F485-W597 HydrophobicContact CE1-CH2 4.15Å; F485-W597 HydrophobicContact CE2-CH2 4.35Å; F485-W597 AromaticContact CG-CH2 3.97Å; F485-W597 HydrophobicContact CG-CH2 3.97Å; F485-W597 HydrophobicContact CG-CZ2 4.06Å; F485-W597 HydrophobicContact CZ-CH2 4.34Å
486	L	97.6	Very high	97.8	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-88.6	-20.2	172.5	-66.4	-173.3	0	0	0	113.1	L482 S483 V490 F491 L516 V520 L526 I528	L482-L486 HydrophobicContact CD1-CD1 3.48Å; L482-L486 VanDerWaalsContact CD1-CD1 3.48Å; L482-L486 HydrophobicContact CD1-CG 3.88Å; L482-L486 HydrophobicContact CG-CD1 4.09Å; L482-L486 WeakPolarHBondContact O-CB 3.39Å; L482-L486 VanDerWaalsContact O-CG 3.3Å; L482-L486 WeakPolarHBondContact O-CG 3.29Å; L482-L486 PolarHBondContact O-N 3.05Å; S483-L486 PolarHBondContact O-N 3.47Å; L486-V490 WeakPolarHBondContact O-CB 3.49Å; L486-V490 WeakPolarHBondContact O-CG2 3.49Å; L486-F491 HydrophobicContact CD1-CD2 4.49Å; L486-L516 HydrophobicContact CD1-CD2 4.15Å; L486-V520 HydrophobicContact CD1-CG2 4.5Å; L486-V520 HydrophobicContact CD2-CG2 3.45Å; L486-V520 VanDerWaalsContact CD2-CG2 3.45Å; L486-L526 HydrophobicContact CB-CD2 4.48Å; L486-L526 HydrophobicContact CD2-CD2 4.04Å; L486-L526 WeakPolarHBondContact O-CD2 3.33Å; L486-I528 HydrophobicContact CD2-CG2 4.16Å
487	S	96.2	Very high	97.8	Very high	56 Å²	56	24.6 Å²	24.6	39%	0.392	14%	0.139	S	C	.	.			trans	70.8	143.8	-157	79.9	0	0	0	0	113.9	S483 V490 F491	S483-S487 CarbonylContact O-C 3.58Å; S483-S487 VanDerWaalsContact O-C 3.25Å; S483-S487 WeakPolarHBondContact O-CA 3.49Å; S483-S487 PolarHBondContact O-N 3.05Å; S487-V490 PolarHBondContact O-N 3.35Å; S487-V490 WeakPolarHBondContact OG-CG2 3.12Å; S487-F491 WeakPolarHBondContact O-CB 3.43Å; S487-F491 PolarHBondContact O-N 2.91Å
488	E	95.6	Very high	97.8	Very high	59 Å²	59	24.7 Å²	24.7	28%	0.276	14%	0.138	S	C	.	.	H	α-helix	trans	-54.4	-42.2	-179.6	-167.3	65.9	-149.4	0	0	113.6	Y326 Y411 L415 S483 V490 F491 A492	Y326-E488 HydrophobicContact CE2-CG 4.37Å; Y326-E488 WeakPolarHBondContact CE2-OE1 3.36Å; Y326-E488 PolarHBondContact OH-OE1 3.19Å; Y411-E488 PolarHBondContact OH-OE2 3.47Å; L415-E488 WeakPolarHBondContact CD1-OE1 3.26Å; S483-E488 WeakPolarHBondContact OG-CA 3.42Å; S483-E488 PolarHBondContact OG-OE2 3.4Å; E488-V490 PolarHBondContact O-N 3.29Å; E488-F491 PolarHBondContact O-N 3.23Å; E488-A492 WeakPolarHBondContact O-CB 3.29Å; E488-A492 PolarHBondContact O-N 2.99Å
489	P	96.8	Very high	97.8	Very high	97 Å²	97	24.7 Å²	24.7	63%	0.63	14%	0.138	S	C	*	.	H	α-helix	trans	-65.2	-38.6	178.4	-23.7	36.2	0	0	0	114.1	K493	P489-K493 WeakPolarHBondContact O-CB 3.26Å; P489-K493 PolarHBondContact O-N 3.19Å
490	V	98.1	Very high	97.8	Very high	10 Å²	10	29 Å²	29	6%	0.061	16%	0.161	C	C	.	.	H	α-helix	trans	-71.9	-40.2	178.6	178.3	0	0	0	0	110.1	L486 S487 E488 K493 G494 A519 V520 T523 L526	L486-V490 WeakPolarHBondContact O-CB 3.49Å; L486-V490 WeakPolarHBondContact O-CG2 3.49Å; S487-V490 PolarHBondContact O-N 3.35Å; S487-V490 WeakPolarHBondContact OG-CG2 3.12Å; E488-V490 PolarHBondContact O-N 3.29Å; V490-K493 PolarHBondContact O-N 2.93Å; V490-G494 PolarHBondContact O-N 3.04Å; V490-A519 HydrophobicContact CG1-CB 3.93Å; V490-A519 WeakPolarHBondContact O-CB 3.4Å; V490-V520 HydrophobicContact CG1-CG2 4.41Å; V490-T523 HydrophobicContact CG2-CG2 3.96Å; V490-L526 HydrophobicContact CB-CD2 4.29Å; V490-L526 HydrophobicContact CG1-CD2 3.84Å; V490-L526 HydrophobicContact CG2-CD2 4.15Å
491	F	98.3	Very high	97.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-58	-54	173.6	-175.7	-106.3	0	0	0	111	F408 Y411 L479 L482 L486 S487 E488 K493 G494 L495 L516	F408-F491 HydrophobicContact CE1-CE1 4.39Å; F408-F491 AromaticContact CE1-CZ 3.74Å; F408-F491 HydrophobicContact CE1-CZ 3.74Å; F408-F491 HydrophobicContact CZ-CZ 4.29Å; Y411-F491 HydrophobicContact CD1-CE1 4.22Å; Y411-F491 HydrophobicContact CE1-CD1 4.41Å; Y411-F491 AromaticContact CE1-CE1 3.76Å; Y411-F491 HydrophobicContact CE1-CE1 3.76Å; Y411-F491 HydrophobicContact CE1-CZ 4.41Å; L479-F491 HydrophobicContact CD2-CZ 4.33Å; L482-F491 HydrophobicContact CD2-CD2 4.46Å; L482-F491 HydrophobicContact CD2-CE2 3.9Å; L482-F491 HydrophobicContact CG-CD2 4.18Å; L482-F491 HydrophobicContact CG-CE2 4.01Å; L486-F491 HydrophobicContact CD1-CD2 4.49Å; S487-F491 WeakPolarHBondContact O-CB 3.43Å; S487-F491 PolarHBondContact O-N 2.91Å; E488-F491 PolarHBondContact O-N 3.23Å; F491-K493 VanDerWaalsContact C-N 3.32Å; F491-K493 PolarHBondContact O-N 3.1Å; F491-G494 PolarHBondContact O-N 3.38Å; F491-L495 HydrophobicContact CD1-CD1 3.99Å; F491-L495 HydrophobicContact CD1-CG 4.25Å; F491-L495 HydrophobicContact CE1-CD1 3.52Å; F491-L495 HydrophobicContact CE1-CD2 4.3Å; F491-L495 HydrophobicContact CE1-CG 4.05Å; F491-L495 HydrophobicContact CE2-CD2 4.25Å; F491-L495 HydrophobicContact CZ-CD1 4.03Å; F491-L495 HydrophobicContact CZ-CD2 4.02Å; F491-L495 HydrophobicContact CZ-CG 4.28Å; F491-L495 WeakPolarHBondContact O-CG 3.22Å; F491-L495 PolarHBondContact O-N 3.12Å; F491-L516 HydrophobicContact CD2-CD2 3.71Å; F491-L516 HydrophobicContact CE2-CD1 4.36Å; F491-L516 HydrophobicContact CE2-CD2 4.18Å; F491-L516 HydrophobicContact CG-CD2 4.48Å
492	A	97.6	Very high	97.7	Very high	14 Å²	14	36.3 Å²	36.3	12%	0.116	20%	0.195	C	C	.	.	H	α-helix	trans	-58.1	-39.7	177.8	0	0	0	0	0	112.9	Y326 E488 G494 L495 S496	Y326-A492 HydrophobicContact CD2-CB 4.26Å; Y326-A492 HydrophobicContact CE2-CB 3.8Å; E488-A492 WeakPolarHBondContact O-CB 3.29Å; E488-A492 PolarHBondContact O-N 2.99Å; A492-G494 PolarHBondContact O-N 3.23Å; A492-L495 PolarHBondContact O-N 3.32Å; A492-S496 WeakPolarHBondContact O-CB 3.24Å; A492-S496 PolarHBondContact O-N 3.11Å
493	K	97.9	Very high	97.7	Very high	95 Å²	95	37.9 Å²	37.9	41%	0.413	21%	0.209	S	C	.	.	H	α-helix	trans	-60.1	-43.9	174	-177.3	-177.6	173	-169.1	0	111.9	P489 V490 F491 S496 S497 A519 D522	P489-K493 WeakPolarHBondContact O-CB 3.26Å; P489-K493 PolarHBondContact O-N 3.19Å; V490-K493 PolarHBondContact O-N 2.93Å; F491-K493 VanDerWaalsContact C-N 3.32Å; F491-K493 PolarHBondContact O-N 3.1Å; K493-S496 PolarHBondContact O-N 3.47Å; K493-S497 PolarHBondContact O-N 3.17Å; K493-S497 VanDerWaalsContact O-N 3.08Å; K493-A519 HydrophobicContact CB-CB 4.43Å; K493-A519 HydrophobicContact CD-CB 4.48Å; K493-A519 HydrophobicContact CG-CB 4.4Å; K493-D522 IonicContact NZ-OD2 3.73Å; K493-D522 PolarHBondContact NZ-OD2 3.24Å
494	G	98.3	Very high	97.7	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.4	-42.5	176.1	0	0	0	0	0	112.4	V490 F491 A492 S496 S497 Y498	V490-G494 PolarHBondContact O-N 3.04Å; F491-G494 PolarHBondContact O-N 3.38Å; A492-G494 PolarHBondContact O-N 3.23Å; G494-S496 PolarHBondContact O-N 2.88Å; G494-S497 PolarHBondContact O-N 3.43Å; G494-Y498 WeakPolarHBondContact O-CB 3.36Å; G494-Y498 PolarHBondContact O-N 3.07Å
495	L	98.2	Very high	97.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-42.9	174.9	-59.7	-166.3	0	0	0	112.3	Y326 Y327 F390 F408 F491 A492 S497 Y498 L499 L512 L516	Y326-L495 HydrophobicContact CE1-CD1 4.18Å; Y327-L495 HydrophobicContact CD1-CB 4.42Å; Y327-L495 HydrophobicContact CD1-CD1 4.43Å; Y327-L495 HydrophobicContact CE1-CD1 3.96Å; F390-L495 HydrophobicContact CE2-CD1 4.17Å; F390-L495 HydrophobicContact CZ-CB 4.08Å; F390-L495 HydrophobicContact CZ-CD1 3.95Å; F390-L495 HydrophobicContact CZ-CD2 3.95Å; F390-L495 HydrophobicContact CZ-CG 4.19Å; F408-L495 HydrophobicContact CD1-CD1 4.39Å; F408-L495 HydrophobicContact CE1-CD1 3.89Å; F408-L495 HydrophobicContact CE1-CD2 3.53Å; F408-L495 HydrophobicContact CE1-CG 4.36Å; F408-L495 HydrophobicContact CZ-CD2 3.89Å; F491-L495 HydrophobicContact CD1-CD1 3.99Å; F491-L495 HydrophobicContact CD1-CG 4.25Å; F491-L495 HydrophobicContact CE1-CD1 3.52Å; F491-L495 HydrophobicContact CE1-CD2 4.3Å; F491-L495 HydrophobicContact CE1-CG 4.05Å; F491-L495 HydrophobicContact CE2-CD2 4.25Å; F491-L495 HydrophobicContact CZ-CD1 4.03Å; F491-L495 HydrophobicContact CZ-CD2 4.02Å; F491-L495 HydrophobicContact CZ-CG 4.28Å; F491-L495 WeakPolarHBondContact O-CG 3.22Å; F491-L495 PolarHBondContact O-N 3.12Å; A492-L495 PolarHBondContact O-N 3.32Å; L495-S497 VanDerWaalsContact C-N 3.34Å; L495-S497 PolarHBondContact O-N 3.38Å; L495-Y498 PolarHBondContact O-N 3.01Å; L495-L499 WeakPolarHBondContact O-CB 3.34Å; L495-L499 WeakPolarHBondContact O-CG 3.41Å; L495-L499 PolarHBondContact O-N 2.81Å; L495-L512 HydrophobicContact CD2-CD1 3.77Å; L495-L516 HydrophobicContact CD2-CD2 4.5Å
496	S	98.2	Very high	97.9	Very high	14 Å²	14	41.4 Å²	41.4	10%	0.098	23%	0.228	C	C	.	.	H	α-helix	trans	-59.8	-45.6	176.6	-175.5	0	0	0	0	111.7	Y327 N328 A492 K493 G494 Y498 L499 N500	Y327-S496 VanDerWaalsContact O-CA 3.26Å; Y327-S496 WeakPolarHBondContact O-CA 3.48Å; Y327-S496 WeakPolarHBondContact O-CB 3.17Å; Y327-S496 PolarHBondContact O-OG 3.43Å; N328-S496 WeakPolarHBondContact CB-OG 3.32Å; A492-S496 WeakPolarHBondContact O-CB 3.24Å; A492-S496 PolarHBondContact O-N 3.11Å; K493-S496 PolarHBondContact O-N 3.47Å; G494-S496 PolarHBondContact O-N 2.88Å; S496-Y498 PolarHBondContact O-N 3.47Å; S496-L499 PolarHBondContact O-N 3.27Å; S496-N500 WeakPolarHBondContact O-CB 3.49Å; S496-N500 PolarHBondContact O-N 2.63Å; S496-N500 PolarHBondContact O-ND2 3.29Å; S496-N500 PolarHBondContact OG-ND2 2.96Å
497	S	98.4	Very high	97.9	Very high	53 Å²	53	41.4 Å²	41.4	37%	0.371	23%	0.228	S	C	.	.	H	α-helix	trans	-62.3	-43.4	177.2	-176.9	0	0	0	0	111.9	K493 G494 L495 E501 H515	K493-S497 PolarHBondContact O-N 3.17Å; K493-S497 VanDerWaalsContact O-N 3.08Å; G494-S497 PolarHBondContact O-N 3.43Å; L495-S497 VanDerWaalsContact C-N 3.34Å; L495-S497 PolarHBondContact O-N 3.38Å; S497-E501 WeakPolarHBondContact O-CB 3.48Å; S497-E501 PolarHBondContact O-N 2.83Å; S497-E501 VanDerWaalsContact O-N 3.12Å; S497-H515 VanDerWaalsContact C-ND1 3.33Å; S497-H515 WeakPolarHBondContact CB-ND1 3.49Å; S497-H515 PolarHBondContact O-CE1 3.4Å; S497-H515 PolarHBondContact OG-ND1 2.81Å
498	Y	98.6	Very high	98	Very high	6 Å²	6	40.2 Å²	40.2	2%	0.024	22%	0.219	C	C	.	.	H	α-helix	trans	-62.6	-48.1	177.2	166.9	-93.9	0	0	0	112.5	F390 V394 G494 L495 S496 N500 E501 F502 T507 D511 L512 H515	F390-Y498 HydrophobicContact CD1-CE1 4.44Å; F390-Y498 HydrophobicContact CE1-CD1 4.11Å; F390-Y498 AromaticContact CE1-CE1 3.8Å; F390-Y498 HydrophobicContact CE1-CE1 3.8Å; F390-Y498 HydrophobicContact CZ-CD1 4.33Å; F390-Y498 HydrophobicContact CZ-CE1 4.44Å; V394-Y498 HydrophobicContact CB-CE1 4.26Å; V394-Y498 HydrophobicContact CG1-CE1 3.8Å; V394-Y498 WeakPolarHBondContact CG1-OH 3.2Å; G494-Y498 WeakPolarHBondContact O-CB 3.36Å; G494-Y498 PolarHBondContact O-N 3.07Å; L495-Y498 PolarHBondContact O-N 3.01Å; S496-Y498 PolarHBondContact O-N 3.47Å; Y498-N500 PolarHBondContact O-N 3.43Å; Y498-E501 PolarHBondContact O-N 2.69Å; Y498-F502 AromaticContact CD2-CD2 3.64Å; Y498-F502 HydrophobicContact CD2-CD2 3.64Å; Y498-F502 AromaticContact CD2-CE2 3.92Å; Y498-F502 HydrophobicContact CD2-CE2 3.92Å; Y498-F502 AromaticContact CE2-CD2 3.86Å; Y498-F502 HydrophobicContact CE2-CD2 3.86Å; Y498-F502 HydrophobicContact CE2-CE2 4.23Å; Y498-F502 HydrophobicContact CG-CD2 4.32Å; Y498-F502 WeakPolarHBondContact O-CD2 3.47Å; Y498-F502 PolarHBondContact O-N 2.82Å; Y498-F502 VanDerWaalsContact O-N 3.08Å; Y498-T507 HydrophobicContact CE2-CG2 3.68Å; Y498-T507 PolarHBondContact OH-OG1 2.89Å; Y498-D511 HydrophobicContact CE2-CB 4.27Å; Y498-L512 HydrophobicContact CD2-CB 4.21Å; Y498-L512 HydrophobicContact CD2-CD1 4.42Å; Y498-L512 HydrophobicContact CE2-CB 4.07Å; Y498-L512 HydrophobicContact CG-CD1 4.31Å; Y498-H515 PolarHBondContact N-ND1 3.13Å
499	L	98.3	Very high	97.9	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-64.8	-39.5	-178.9	-73.7	173.5	0	0	0	112.4	Y327 W389 F390 V394 L495 S496 A503	Y327-L499 HydrophobicContact CD1-CD1 3.7Å; Y327-L499 HydrophobicContact CD2-CD1 4.17Å; Y327-L499 HydrophobicContact CE1-CD1 4.43Å; Y327-L499 HydrophobicContact CG-CD1 3.55Å; W389-L499 HydrophobicContact CB-CD1 3.95Å; W389-L499 HydrophobicContact CB-CD2 4.1Å; W389-L499 HydrophobicContact CG-CD1 4.32Å; F390-L499 HydrophobicContact CD2-CD1 4.3Å; F390-L499 HydrophobicContact CD2-CD2 4.23Å; F390-L499 HydrophobicContact CE1-CD2 4.43Å; F390-L499 HydrophobicContact CE2-CD1 3.61Å; F390-L499 HydrophobicContact CE2-CD2 3.97Å; F390-L499 HydrophobicContact CE2-CG 3.99Å; F390-L499 HydrophobicContact CZ-CD1 4.12Å; F390-L499 HydrophobicContact CZ-CD2 4.07Å; F390-L499 HydrophobicContact CZ-CG 4.04Å; V394-L499 HydrophobicContact CB-CD2 4.08Å; V394-L499 HydrophobicContact CG2-CD2 3.69Å; L495-L499 WeakPolarHBondContact O-CB 3.34Å; L495-L499 WeakPolarHBondContact O-CG 3.41Å; L495-L499 PolarHBondContact O-N 2.81Å; S496-L499 PolarHBondContact O-N 3.27Å; L499-A503 WeakPolarHBondContact O-CB 3.45Å; L499-A503 PolarHBondContact O-N 2.74Å; L499-A503 VanDerWaalsContact O-N 3.11Å
500	N	97.7	Very high	97.9	Very high	91 Å²	91	36.2 Å²	36.2	49%	0.487	20%	0.195	S	C	.	.	H	α-helix	trans	-70.5	-37.4	179.8	-78.2	-62.2	0	0	0	112.4	N328 S496 Y498	N328-N500 PolarHBondContact O-ND2 2.75Å; S496-N500 WeakPolarHBondContact O-CB 3.49Å; S496-N500 PolarHBondContact O-N 2.63Å; S496-N500 PolarHBondContact O-ND2 3.29Å; S496-N500 PolarHBondContact OG-ND2 2.96Å; Y498-N500 PolarHBondContact O-N 3.43Å
501	E	98.3	Very high	97.9	Very high	136 Å²	136	38 Å²	38	64%	0.636	20%	0.204	S	C	*	.	H	α-helix	trans	-68.5	-44.9	177	-179.2	66.1	-168.2	0	0	111.8	S497 Y498	S497-E501 WeakPolarHBondContact O-CB 3.48Å; S497-E501 PolarHBondContact O-N 2.83Å; S497-E501 VanDerWaalsContact O-N 3.12Å; Y498-E501 PolarHBondContact O-N 2.69Å
502	F	98.5	Very high	97.9	Very high	39 Å²	39	38 Å²	38	17%	0.171	20%	0.204	C	C	.	.	H	α-helix	trans	-98.8	10.4	-171.1	-64.6	-69.2	0	0	0	114.8	V394 Y498 Y504 S505 T507 D511 H515	V394-F502 HydrophobicContact CG1-CB 3.75Å; V394-F502 HydrophobicContact CG2-CB 3.97Å; Y498-F502 AromaticContact CD2-CD2 3.64Å; Y498-F502 HydrophobicContact CD2-CD2 3.64Å; Y498-F502 AromaticContact CD2-CE2 3.92Å; Y498-F502 HydrophobicContact CD2-CE2 3.92Å; Y498-F502 AromaticContact CE2-CD2 3.86Å; Y498-F502 HydrophobicContact CE2-CD2 3.86Å; Y498-F502 HydrophobicContact CE2-CE2 4.23Å; Y498-F502 HydrophobicContact CG-CD2 4.32Å; Y498-F502 WeakPolarHBondContact O-CD2 3.47Å; Y498-F502 PolarHBondContact O-N 2.82Å; Y498-F502 VanDerWaalsContact O-N 3.08Å; F502-Y504 PolarHBondContact O-N 3.1Å; F502-S505 WeakPolarHBondContact O-CA 3.32Å; F502-S505 WeakPolarHBondContact O-CB 3.27Å; F502-S505 PolarHBondContact O-N 2.78Å; F502-T507 HydrophobicContact CB-CG2 3.6Å; F502-T507 HydrophobicContact CD1-CG2 3.59Å; F502-T507 HydrophobicContact CD2-CG2 3.55Å; F502-T507 HydrophobicContact CE1-CG2 4.1Å; F502-T507 HydrophobicContact CE2-CG2 4.07Å; F502-T507 HydrophobicContact CG-CG2 3.28Å; F502-T507 HydrophobicContact CZ-CG2 4.32Å; F502-D511 HydrophobicContact CE2-CB 3.78Å; F502-D511 HydrophobicContact CZ-CB 3.81Å; F502-H515 AromaticContact CE2-CD2 3.77Å; F502-H515 AromaticContact CE2-NE2 3.33Å; F502-H515 VanDerWaalsContact CE2-NE2 3.33Å; F502-H515 WeakPolarHBondContact CE2-NE2 3.24Å
503	A	98.4	Very high	97.9	Very high	34 Å²	34	37.5 Å²	37.5	28%	0.281	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49	128.9	179	0	0	0	0	0	112	L393 L499 S505	L393-A503 HydrophobicContact CD1-CB 3.93Å; L393-A503 HydrophobicContact CD2-CB 4.47Å; L393-A503 HydrophobicContact CG-CB 4.17Å; L499-A503 WeakPolarHBondContact O-CB 3.45Å; L499-A503 PolarHBondContact O-N 2.74Å; L499-A503 VanDerWaalsContact O-N 3.11Å; A503-S505 PolarHBondContact O-N 3.43Å
504	Y	98.3	Very high	97.9	Very high	89 Å²	89	35.1 Å²	35.1	35%	0.349	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	17.4	-176.8	-45.4	-77	0	0	0	115.3	P269 P332 W352 L393 F502	P269-Y504 HydrophobicContact CB-CD1 4.04Å; P269-Y504 HydrophobicContact CB-CE1 3.61Å; P269-Y504 HydrophobicContact CG-CE1 4.43Å; P332-Y504 WeakPolarHBondContact CB-OH 3.44Å; W352-Y504 AromaticContact CH2-CD1 3.91Å; W352-Y504 HydrophobicContact CH2-CD1 3.91Å; W352-Y504 AromaticContact CH2-CE1 3.72Å; W352-Y504 HydrophobicContact CH2-CE1 3.72Å; W352-Y504 HydrophobicContact CZ2-CE1 4.5Å; W352-Y504 HydrophobicContact CZ3-CD1 4.43Å; W352-Y504 HydrophobicContact CZ3-CE1 4.5Å; L393-Y504 HydrophobicContact CD1-CD1 3.99Å; L393-Y504 HydrophobicContact CD1-CD2 4.27Å; L393-Y504 HydrophobicContact CD1-CE1 3.71Å; L393-Y504 HydrophobicContact CD1-CE2 4.01Å; L393-Y504 HydrophobicContact CD1-CG 4.26Å; L393-Y504 WeakPolarHBondContact O-CA 3.03Å; L393-Y504 PolarHBondContact O-N 3.03Å; F502-Y504 PolarHBondContact O-N 3.1Å
505	S	98.1	Very high	97.9	Very high	51 Å²	51	36.6 Å²	36.6	36%	0.357	21%	0.208	S	C	.	.	S	Bend	trans	-120.8	-169.1	178.9	-158.7	0	0	0	0	111.3	K226 T395 F502 A503	K226-S505 WeakPolarHBondContact CE-O 3.48Å; K226-S505 PolarHBondContact NZ-O 2.89Å; T395-S505 PolarHBondContact N-O 2.96Å; F502-S505 WeakPolarHBondContact O-CA 3.32Å; F502-S505 WeakPolarHBondContact O-CB 3.27Å; F502-S505 PolarHBondContact O-N 2.78Å; A503-S505 PolarHBondContact O-N 3.43Å
506	N	98.4	Very high	98	Very high	24 Å²	24	36.6 Å²	36.6	13%	0.128	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	156.5	178.5	-60	84.5	0	0	0	111.4	P223 A224 T395 L396 Q397	P223-N506 PolarHBondContact O-ND2 3.06Å; A224-N506 WeakPolarHBondContact CA-ND2 3.49Å; A224-N506 WeakPolarHBondContact CA-OD1 3.39Å; A224-N506 PolarHBondContact O-OD1 3.45Å; T395-N506 CarbonylContact O-C 3.52Å; T395-N506 WeakPolarHBondContact O-CA 3.28Å; L396-N506 PolarHBondContact O-ND2 3.16Å; Q397-N506 HydrophobicContact CB-CB 4.36Å
507	T	98.3	Very high	98	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	164.4	-176.5	58.6	0	0	0	0	112.6	V394 T395 L396 Q397 Y498 F502 D511	V394-T507 HydrophobicContact CG1-CG2 3.69Å; T395-T507 PolarHBondContact O-N 3.27Å; L396-T507 CarbonylContact C-O 3.52Å; L396-T507 WeakPolarHBondContact CA-O 3.5Å; Q397-T507 WeakPolarHBondContact CB-O 3.3Å; Q397-T507 PolarHBondContact N-O 3.39Å; Y498-T507 HydrophobicContact CE2-CG2 3.68Å; Y498-T507 PolarHBondContact OH-OG1 2.89Å; F502-T507 HydrophobicContact CB-CG2 3.6Å; F502-T507 HydrophobicContact CD1-CG2 3.59Å; F502-T507 HydrophobicContact CD2-CG2 3.55Å; F502-T507 HydrophobicContact CE1-CG2 4.1Å; F502-T507 HydrophobicContact CE2-CG2 4.07Å; F502-T507 HydrophobicContact CG-CG2 3.28Å; F502-T507 HydrophobicContact CZ-CG2 4.32Å; T507-D511 WeakPolarHBondContact CA-OD2 3.46Å; T507-D511 WeakPolarHBondContact CB-OD2 3.43Å; T507-D511 HydrophobicContact CG2-CB 4.33Å
508	V	97.4	Very high	97.9	Very high	31 Å²	31	41.2 Å²	41.2	19%	0.188	22%	0.222	C	C	.	.			trans	-112.5	166.3	165.3	-65.6	0	0	0	0	109.9	Q397 T510 D511	Q397-V508 HydrophobicContact CB-CG1 4.06Å; V508-T510 VanDerWaalsContact CG2-OG1 3.28Å; V508-T510 WeakPolarHBondContact CG2-OG1 3.28Å; V508-T510 PolarHBondContact O-N 3.16Å; V508-D511 WeakPolarHBondContact CG2-OD2 3.49Å; V508-D511 PolarHBondContact N-OD2 3.14Å; V508-D511 WeakPolarHBondContact O-CB 3.44Å; V508-D511 PolarHBondContact O-N 2.7Å
509	H	94.6	Very high	97.9	Very high	26 Å²	26	41 Å²	41	12%	0.12	22%	0.222	C	C	.	.	H	α-helix	trans	-59.2	-26.4	-175.8	61.5	-86	0	0	0	114.2	D401 W403 L404 S451 D511 L512 W513	D401-H509 IonicContact OD1-ND1 3.65Å; D401-H509 PolarHBondContact OD1-ND1 2.94Å; D401-H509 IonicContact OD2-CE1 3.08Å; D401-H509 IonicContact OD2-CG 3.31Å; D401-H509 PolarHBondContact OD2-N 3.39Å; D401-H509 IonicContact OD2-ND1 2.69Å; D401-H509 PolarHBondContact OD2-ND1 3.31Å; W403-H509 HydrophobicContact CZ2-CB 3.76Å; L404-H509 HydrophobicContact CD1-CB 4.16Å; L404-H509 HydrophobicContact CD2-CB 4.07Å; L404-H509 HydrophobicContact CG-CB 4.42Å; S451-H509 PolarHBondContact OG-ND1 2.91Å; H509-D511 VanDerWaalsContact C-N 3.29Å; H509-D511 PolarHBondContact O-N 2.87Å; H509-L512 PolarHBondContact O-N 3.08Å; H509-W513 AromaticContact CD2-NE1 3.69Å; H509-W513 PolarHBondContact O-N 2.68Å
510	T	96.2	Very high	97.9	Very high	46 Å²	46	41.4 Å²	41.4	28%	0.282	23%	0.225	S	C	.	.	H	α-helix	trans	-69.2	-25.3	178	50.9	0	0	0	0	113.8	V508 W513 G514	V508-T510 VanDerWaalsContact CG2-OG1 3.28Å; V508-T510 WeakPolarHBondContact CG2-OG1 3.28Å; V508-T510 PolarHBondContact O-N 3.16Å; T510-W513 PolarHBondContact O-N 2.88Å; T510-G514 PolarHBondContact O-N 3.15Å
511	D	98.4	Very high	97.8	Very high	48 Å²	48	40.5 Å²	40.5	26%	0.257	23%	0.229	S	C	.	.	H	α-helix	trans	-66.3	-45.9	177.9	-59.9	-37	0	0	0	110.1	Y498 F502 T507 V508 H509 W513 G514 H515	Y498-D511 HydrophobicContact CE2-CB 4.27Å; F502-D511 HydrophobicContact CE2-CB 3.78Å; F502-D511 HydrophobicContact CZ-CB 3.81Å; T507-D511 WeakPolarHBondContact CA-OD2 3.46Å; T507-D511 WeakPolarHBondContact CB-OD2 3.43Å; T507-D511 HydrophobicContact CG2-CB 4.33Å; V508-D511 WeakPolarHBondContact CG2-OD2 3.49Å; V508-D511 PolarHBondContact N-OD2 3.14Å; V508-D511 WeakPolarHBondContact O-CB 3.44Å; V508-D511 PolarHBondContact O-N 2.7Å; H509-D511 VanDerWaalsContact C-N 3.29Å; H509-D511 PolarHBondContact O-N 2.87Å; D511-W513 VanDerWaalsContact C-N 3.31Å; D511-W513 PolarHBondContact O-N 2.87Å; D511-G514 PolarHBondContact O-N 3.04Å; D511-H515 PolarHBondContact O-CD2 2.9Å; D511-H515 PolarHBondContact O-N 3.46Å
512	L	97.7	Very high	97.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-56.6	-43.7	174.2	173.1	66.5	0	0	0	112.2	L404 F408 L495 Y498 H509 G514 H515 L516	L404-L512 HydrophobicContact CD2-CD2 3.94Å; F408-L512 HydrophobicContact CE2-CD2 3.42Å; F408-L512 VanDerWaalsContact CE2-CD2 3.42Å; F408-L512 HydrophobicContact CZ-CD1 3.98Å; F408-L512 HydrophobicContact CZ-CD2 3.45Å; F408-L512 VanDerWaalsContact CZ-CD2 3.45Å; F408-L512 HydrophobicContact CZ-CG 4.34Å; L495-L512 HydrophobicContact CD2-CD1 3.77Å; Y498-L512 HydrophobicContact CD2-CB 4.21Å; Y498-L512 HydrophobicContact CD2-CD1 4.42Å; Y498-L512 HydrophobicContact CE2-CB 4.07Å; Y498-L512 HydrophobicContact CG-CD1 4.31Å; H509-L512 PolarHBondContact O-N 3.08Å; L512-G514 VanDerWaalsContact C-N 3.27Å; L512-G514 PolarHBondContact O-N 2.92Å; L512-H515 PolarHBondContact O-N 3.31Å; L512-L516 HydrophobicContact CD1-CD1 3.93Å; L512-L516 HydrophobicContact CD1-CG 4.24Å; L512-L516 HydrophobicContact CG-CD1 3.92Å; L512-L516 PolarHBondContact O-N 2.66Å
513	W	98.1	Very high	97.6	Very high	3 Å²	3	37.8 Å²	37.8	1%	0.011	22%	0.223	C	C	.	.	H	α-helix	trans	-60.7	-36.5	176.8	-56.4	151.3	0	0	0	112.6	W403 L482 H509 T510 D511 L516 Q517 V532 R533 M536 T540	W403-W513 AromaticContact CH2-CH2 3.68Å; W403-W513 HydrophobicContact CH2-CH2 3.68Å; W403-W513 AromaticContact CH2-CZ2 3.75Å; W403-W513 HydrophobicContact CH2-CZ2 3.75Å; W403-W513 HydrophobicContact CZ2-CZ2 4.18Å; L482-W513 HydrophobicContact CD2-CE3 4.47Å; L482-W513 HydrophobicContact CD2-CH2 4.22Å; L482-W513 HydrophobicContact CD2-CZ3 3.55Å; H509-W513 AromaticContact CD2-NE1 3.69Å; H509-W513 PolarHBondContact O-N 2.68Å; T510-W513 PolarHBondContact O-N 2.88Å; D511-W513 VanDerWaalsContact C-N 3.31Å; D511-W513 PolarHBondContact O-N 2.87Å; W513-L516 HydrophobicContact CE3-CD1 3.87Å; W513-L516 HydrophobicContact CZ3-CD1 3.94Å; W513-Q517 WeakPolarHBondContact O-CB 3.27Å; W513-Q517 PolarHBondContact O-N 2.93Å; W513-V532 HydrophobicContact CB-CG1 4.46Å; W513-V532 HydrophobicContact CD2-CG1 4.42Å; W513-V532 HydrophobicContact CE3-CG1 3.9Å; W513-R533 HydrophobicContact CB-CB 4.25Å; W513-M536 HydrophobicContact CD2-CB 4Å; W513-M536 HydrophobicContact CD2-CG 4.36Å; W513-M536 HydrophobicContact CE3-CB 4.19Å; W513-M536 HydrophobicContact CE3-CG 4.07Å; W513-M536 HydrophobicContact CH2-CB 3.71Å; W513-M536 HydrophobicContact CH2-CE 3.91Å; W513-M536 HydrophobicContact CH2-CG 3.86Å; W513-M536 HydrophobicContact CZ2-CB 3.45Å; W513-M536 VanDerWaalsContact CZ2-CB 3.45Å; W513-M536 HydrophobicContact CZ2-CG 4.13Å; W513-M536 HydrophobicContact CZ3-CB 4.08Å; W513-M536 HydrophobicContact CZ3-CE 4.44Å; W513-M536 HydrophobicContact CZ3-CG 3.84Å; W513-T540 HydrophobicContact CZ2-CG2 3.91Å
514	G	98.4	Very high	97.2	Very high	45 Å²	45	41.5 Å²	41.5	46%	0.464	24%	0.244	S	C	.	.	H	α-helix	trans	-60.5	-48.4	175.7	0	0	0	0	0	112.5	T510 D511 L512 Q517 Q518	T510-G514 PolarHBondContact O-N 3.15Å; D511-G514 PolarHBondContact O-N 3.04Å; L512-G514 VanDerWaalsContact C-N 3.27Å; L512-G514 PolarHBondContact O-N 2.92Å; G514-Q517 WeakPolarHBondContact O-CB 3.34Å; G514-Q517 PolarHBondContact O-N 3.22Å; G514-Q518 PolarHBondContact O-N 2.99Å
515	H	98.6	Very high	96.7	Very high	31 Å²	31	44.3 Å²	44.3	14%	0.144	27%	0.265	C	S	.	.	H	α-helix	trans	-69.2	-38.4	-179.2	-76.2	-88	0	0	0	113.3	S497 Y498 F502 D511 L512 Q517 Q518 A519	S497-H515 VanDerWaalsContact C-ND1 3.33Å; S497-H515 WeakPolarHBondContact CB-ND1 3.49Å; S497-H515 PolarHBondContact O-CE1 3.4Å; S497-H515 PolarHBondContact OG-ND1 2.81Å; Y498-H515 PolarHBondContact N-ND1 3.13Å; F502-H515 AromaticContact CE2-CD2 3.77Å; F502-H515 AromaticContact CE2-NE2 3.33Å; F502-H515 VanDerWaalsContact CE2-NE2 3.33Å; F502-H515 WeakPolarHBondContact CE2-NE2 3.24Å; D511-H515 PolarHBondContact O-CD2 2.9Å; D511-H515 PolarHBondContact O-N 3.46Å; L512-H515 PolarHBondContact O-N 3.31Å; H515-Q517 VanDerWaalsContact C-N 3.34Å; H515-Q518 PolarHBondContact O-N 2.97Å; H515-A519 PolarHBondContact O-N 2.86Å
516	L	98.5	Very high	96.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-38	173.4	-72.5	168.2	0	0	0	111.7	L482 L486 F491 L495 L512 W513 Q518 A519 V520 V532	L482-L516 HydrophobicContact CD2-CD1 3.78Å; L486-L516 HydrophobicContact CD1-CD2 4.15Å; F491-L516 HydrophobicContact CD2-CD2 3.71Å; F491-L516 HydrophobicContact CE2-CD1 4.36Å; F491-L516 HydrophobicContact CE2-CD2 4.18Å; F491-L516 HydrophobicContact CG-CD2 4.48Å; L495-L516 HydrophobicContact CD2-CD2 4.5Å; L512-L516 HydrophobicContact CD1-CD1 3.93Å; L512-L516 HydrophobicContact CD1-CG 4.24Å; L512-L516 HydrophobicContact CG-CD1 3.92Å; L512-L516 PolarHBondContact O-N 2.66Å; W513-L516 HydrophobicContact CE3-CD1 3.87Å; W513-L516 HydrophobicContact CZ3-CD1 3.94Å; L516-Q518 VanDerWaalsContact C-N 3.3Å; L516-Q518 PolarHBondContact O-N 3.48Å; L516-A519 PolarHBondContact O-N 3.03Å; L516-V520 WeakPolarHBondContact O-CG2 3.22Å; L516-V520 PolarHBondContact O-N 2.79Å; L516-V532 HydrophobicContact CB-CG1 4.15Å
517	Q	98.4	Very high	96.1	Very high	59 Å²	59	49.9 Å²	49.9	28%	0.276	29%	0.285	S	S	.	.	H	α-helix	trans	-63.1	-37.8	174.9	-176.1	60.1	74.1	0	0	112	W513 G514 H515 V520 A521 V532	W513-Q517 WeakPolarHBondContact O-CB 3.27Å; W513-Q517 PolarHBondContact O-N 2.93Å; G514-Q517 WeakPolarHBondContact O-CB 3.34Å; G514-Q517 PolarHBondContact O-N 3.22Å; H515-Q517 VanDerWaalsContact C-N 3.34Å; Q517-V520 PolarHBondContact O-N 3.32Å; Q517-A521 PolarHBondContact O-N 3.49Å; Q517-V532 HydrophobicContact CB-CB 4.46Å; Q517-V532 HydrophobicContact CB-CG2 4.35Å
518	Q	97.9	Very high	96	Very high	104 Å²	104	51.3 Å²	51.3	49%	0.486	29%	0.293	S	S	.	.	H	α-helix	trans	-64.4	-44.4	173.8	-173.8	62.3	50.3	0	0	111.4	G514 H515 L516 V520 A521 D522	G514-Q518 PolarHBondContact O-N 2.99Å; H515-Q518 PolarHBondContact O-N 2.97Å; L516-Q518 VanDerWaalsContact C-N 3.3Å; L516-Q518 PolarHBondContact O-N 3.48Å; Q518-V520 VanDerWaalsContact C-N 3.27Å; Q518-V520 PolarHBondContact O-N 3.01Å; Q518-A521 PolarHBondContact O-N 3.39Å; Q518-A521 VanDerWaalsContact O-N 3.11Å; Q518-D522 PolarHBondContact NE2-OD1 2.87Å; Q518-D522 VanDerWaalsContact O-CG 3.29Å; Q518-D522 PolarHBondContact O-N 3.46Å
519	A	97.9	Very high	95.9	Very high	2 Å²	2	52.2 Å²	52.2	2%	0.017	30%	0.299	C	S	.	.	H	α-helix	trans	-60.7	-37	177.2	0	0	0	0	0	112.6	V490 K493 H515 L516 T523	V490-A519 HydrophobicContact CG1-CB 3.93Å; V490-A519 WeakPolarHBondContact O-CB 3.4Å; K493-A519 HydrophobicContact CB-CB 4.43Å; K493-A519 HydrophobicContact CD-CB 4.48Å; K493-A519 HydrophobicContact CG-CB 4.4Å; H515-A519 PolarHBondContact O-N 2.86Å; L516-A519 PolarHBondContact O-N 3.03Å; A519-T523 PolarHBondContact O-OG1 2.92Å
520	V	97.8	Very high	96	Very high	10 Å²	10	52.7 Å²	52.7	6%	0.061	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-49.3	171.2	172.7	0	0	0	0	111.3	L486 V490 L516 Q517 Q518 D522 T523 L526 I528 V532	L486-V520 HydrophobicContact CD1-CG2 4.5Å; L486-V520 HydrophobicContact CD2-CG2 3.45Å; L486-V520 VanDerWaalsContact CD2-CG2 3.45Å; V490-V520 HydrophobicContact CG1-CG2 4.41Å; L516-V520 WeakPolarHBondContact O-CG2 3.22Å; L516-V520 PolarHBondContact O-N 2.79Å; Q517-V520 PolarHBondContact O-N 3.32Å; Q518-V520 VanDerWaalsContact C-N 3.27Å; Q518-V520 PolarHBondContact O-N 3.01Å; V520-D522 PolarHBondContact O-N 2.6Å; V520-T523 PolarHBondContact O-N 2.83Å; V520-L526 HydrophobicContact CB-CD2 4.47Å; V520-L526 HydrophobicContact CG1-CD2 4.36Å; V520-L526 HydrophobicContact CG2-CD2 3.94Å; V520-I528 HydrophobicContact CG1-CD1 4.07Å; V520-I528 HydrophobicContact CG1-CG1 4.17Å; V520-I528 HydrophobicContact CG2-CD1 4.33Å; V520-V532 HydrophobicContact CG2-CG2 4.14Å
521	A	96.4	Very high	96.1	Very high	71 Å²	71	52.2 Å²	52.2	59%	0.587	30%	0.304	S	S	*	.	H	α-helix	trans	-61.3	-31.1	-178.8	0	0	0	0	0	112.8	Q517 Q518 T523	Q517-A521 PolarHBondContact O-N 3.49Å; Q518-A521 PolarHBondContact O-N 3.39Å; Q518-A521 VanDerWaalsContact O-N 3.11Å; A521-T523 VanDerWaalsContact C-N 3.25Å; A521-T523 PolarHBondContact O-N 2.94Å
522	D	95.8	Very high	96.1	Very high	79 Å²	79	50 Å²	50	42%	0.422	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-2	176.4	-66	-5.9	0	0	0	114	K493 Q518 V520 P524	K493-D522 IonicContact NZ-OD2 3.73Å; K493-D522 PolarHBondContact NZ-OD2 3.24Å; Q518-D522 PolarHBondContact NE2-OD1 2.87Å; Q518-D522 VanDerWaalsContact O-CG 3.29Å; Q518-D522 PolarHBondContact O-N 3.46Å; V520-D522 PolarHBondContact O-N 2.6Å; D522-P524 WeakPolarHBondContact O-CD 3.3Å
523	T	96.2	Very high	96.1	Very high	39 Å²	39	56.5 Å²	56.5	24%	0.239	32%	0.316	C	S	.	.			trans	-115	96.8	-175.8	-54.6	0	0	0	0	110.1	V490 A519 V520 A521 D525 L526	V490-T523 HydrophobicContact CG2-CG2 3.96Å; A519-T523 PolarHBondContact O-OG1 2.92Å; V520-T523 PolarHBondContact O-N 2.83Å; A521-T523 VanDerWaalsContact C-N 3.25Å; A521-T523 PolarHBondContact O-N 2.94Å; T523-D525 VanDerWaalsContact C-N 3.29Å; T523-D525 PolarHBondContact O-N 3.11Å; T523-D525 VanDerWaalsContact O-N 3.11Å; T523-L526 HydrophobicContact CG2-CB 3.8Å; T523-L526 PolarHBondContact O-N 3.16Å
524	P	89.1	Confident	96.1	Very high	112 Å²	112	59.9 Å²	59.9	73%	0.727	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-30.7	-167.7	-28.7	35.8	0	0	0	116.4	D522	D522-P524 WeakPolarHBondContact O-CD 3.3Å
525	D	89.5	Confident	96.1	Very high	149 Å²	149	57.7 Å²	57.7	80%	0.797	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-7.5	-174.3	-61.7	-46.2	0	0	0	113.6	T523 H527	T523-D525 VanDerWaalsContact C-N 3.29Å; T523-D525 PolarHBondContact O-N 3.11Å; T523-D525 VanDerWaalsContact O-N 3.11Å; D525-H527 PolarHBondContact O-N 2.92Å; D525-H527 PolarHBondContact O-ND1 3.13Å
526	L	92.7	Very high	96.1	Very high	37 Å²	37	56.2 Å²	56.2	19%	0.194	31%	0.305	C	S	.	.			trans	-87.5	110.7	-178	-178.2	64	0	0	0	111.1	L486 V490 V520 T523	L486-L526 HydrophobicContact CB-CD2 4.48Å; L486-L526 HydrophobicContact CD2-CD2 4.04Å; L486-L526 WeakPolarHBondContact O-CD2 3.33Å; V490-L526 HydrophobicContact CB-CD2 4.29Å; V490-L526 HydrophobicContact CG1-CD2 3.84Å; V490-L526 HydrophobicContact CG2-CD2 4.15Å; V520-L526 HydrophobicContact CB-CD2 4.47Å; V520-L526 HydrophobicContact CG1-CD2 4.36Å; V520-L526 HydrophobicContact CG2-CD2 3.94Å; T523-L526 HydrophobicContact CG2-CB 3.8Å; T523-L526 PolarHBondContact O-N 3.16Å
527	H	90.1	Very high	96.1	Very high	154 Å²	154	57.1 Å²	57.1	71%	0.713	31%	0.31	S	S	*	.			trans	-112.6	117.9	-179.6	-64	77.9	0	0	0	111	D525	D525-H527 PolarHBondContact O-N 2.92Å; D525-H527 PolarHBondContact O-ND1 3.13Å
528	I	95.9	Very high	96.1	Very high	31 Å²	31	56.3 Å²	56.3	16%	0.159	31%	0.305	C	S	.	.			trans	-112.2	150.4	170.8	57.6	172.2	0	0	0	109.7	F485 L486 V520 C530 V532 I535	F485-I528 HydrophobicContact CD2-CG2 4.11Å; F485-I528 HydrophobicContact CE2-CG2 4.37Å; L486-I528 HydrophobicContact CD2-CG2 4.16Å; V520-I528 HydrophobicContact CG1-CD1 4.07Å; V520-I528 HydrophobicContact CG1-CG1 4.17Å; V520-I528 HydrophobicContact CG2-CD1 4.33Å; I528-C530 VanDerWaalsContact C-N 3.25Å; I528-C530 WeakPolarHBondContact CD1-O 3.08Å; I528-C530 VanDerWaalsContact CG1-O 3.27Å; I528-C530 WeakPolarHBondContact CG1-O 3.44Å; I528-C530 PolarHBondContact O-N 3.09Å; I528-V532 HydrophobicContact CD1-CG2 3.79Å; I528-I535 HydrophobicContact CB-CD1 4.3Å; I528-I535 HydrophobicContact CD1-CD1 4.37Å
529	P	96.5	Very high	96.1	Very high	51 Å²	51	51.4 Å²	51.4	33%	0.331	28%	0.281	S	S	.	.	S	Bend	trans	-69.3	-20.6	-169.7	27.7	-37.9	0	0	0	114.4	I535 W597 L599	P529-I535 HydrophobicContact CG-CD1 4.23Å; P529-W597 HydrophobicContact CB-CG 4.39Å; P529-W597 HydrophobicContact CG-CB 4.28Å; P529-W597 HydrophobicContact CG-CD2 3.51Å; P529-W597 HydrophobicContact CG-CE3 3.71Å; P529-W597 HydrophobicContact CG-CG 3.79Å; P529-W597 HydrophobicContact CG-CH2 4.46Å; P529-W597 HydrophobicContact CG-CZ2 4.31Å; P529-W597 HydrophobicContact CG-CZ3 4.19Å; P529-L599 HydrophobicContact CB-CD1 3.95Å; P529-L599 HydrophobicContact CB-CD2 3.93Å; P529-L599 HydrophobicContact CG-CD2 3.88Å
530	C	96.4	Very high	96.2	Very high	36 Å²	36	51.3 Å²	51.3	24%	0.243	28%	0.281	C	S	.	.	S	Bend	trans	-163.4	-174.2	177.7	58.3	0	0	0	0	109.4	I528 D534 I535 F581	I528-C530 VanDerWaalsContact C-N 3.25Å; I528-C530 WeakPolarHBondContact CD1-O 3.08Å; I528-C530 VanDerWaalsContact CG1-O 3.27Å; I528-C530 WeakPolarHBondContact CG1-O 3.44Å; I528-C530 PolarHBondContact O-N 3.09Å; C530-D534 HydrophobicContact CB-CB 4.42Å; C530-I535 VanDerWaalsContact SG-CG1 3.5Å; C530-F581 VanDerWaalsContact SG-CD2 3.53Å; C530-F581 WeakPolarHBondContact SG-CE2 3.26Å
531	S	97.9	Very high	96.2	Very high	36 Å²	36	53.2 Å²	53.2	25%	0.252	29%	0.29	S	S	.	.			trans	-61.6	150	-176.1	76.2	0	0	0	0	112.7	R533 D534 I535	S531-R533 PolarHBondContact O-N 3.24Å; S531-D534 PolarHBondContact O-N 3.35Å; S531-D534 PolarHBondContact OG-N 2.71Å; S531-D534 PolarHBondContact OG-OD2 2.91Å; S531-I535 PolarHBondContact O-N 2.81Å; S531-I535 VanDerWaalsContact O-N 3.13Å
532	V	98.4	Very high	96.2	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-52.2	-41.8	173.1	175	0	0	0	0	109.9	L482 W513 L516 Q517 V520 I528 D534 I535 M536	L482-V532 HydrophobicContact CD1-CG1 4.29Å; W513-V532 HydrophobicContact CB-CG1 4.46Å; W513-V532 HydrophobicContact CD2-CG1 4.42Å; W513-V532 HydrophobicContact CE3-CG1 3.9Å; L516-V532 HydrophobicContact CB-CG1 4.15Å; Q517-V532 HydrophobicContact CB-CB 4.46Å; Q517-V532 HydrophobicContact CB-CG2 4.35Å; V520-V532 HydrophobicContact CG2-CG2 4.14Å; I528-V532 HydrophobicContact CD1-CG2 3.79Å; V532-D534 PolarHBondContact O-N 3.47Å; V532-I535 PolarHBondContact O-N 3.2Å; V532-M536 HydrophobicContact CG1-CG 3.94Å; V532-M536 WeakPolarHBondContact O-CB 3.32Å; V532-M536 VanDerWaalsContact O-CG 3.25Å; V532-M536 WeakPolarHBondContact O-CG 3.47Å; V532-M536 PolarHBondContact O-N 3.39Å
533	R	98.1	Very high	96.3	Very high	138 Å²	138	46.2 Å²	46.2	52%	0.521	24%	0.243	S	C	.	.	H	α-helix	trans	-58.8	-46.7	176.8	179.8	178.1	176.1	165.2	2.6	112.6	W513 S531 I535 N537	W513-R533 HydrophobicContact CB-CB 4.25Å; S531-R533 PolarHBondContact O-N 3.24Å; R533-I535 VanDerWaalsContact C-N 3.35Å; R533-I535 PolarHBondContact O-N 3.01Å; R533-N537 WeakPolarHBondContact O-CB 3.36Å; R533-N537 PolarHBondContact O-N 3.49Å; R533-N537 PolarHBondContact O-OD1 3.39Å
534	D	97.9	Very high	96.3	Very high	73 Å²	73	44.3 Å²	44.3	39%	0.39	23%	0.231	S	C	.	.	H	α-helix	trans	-66.6	-37.9	-178.3	-67.6	-44.8	0	0	0	112.3	C530 S531 V532 R538	C530-D534 HydrophobicContact CB-CB 4.42Å; S531-D534 PolarHBondContact O-N 3.35Å; S531-D534 PolarHBondContact OG-N 2.71Å; S531-D534 PolarHBondContact OG-OD2 2.91Å; V532-D534 PolarHBondContact O-N 3.47Å; D534-R538 PolarHBondContact O-NH1 3.3Å
535	I	98.6	Very high	96.8	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.8	-56.7	175.2	-61	168.9	0	0	0	109.1	F485 I528 P529 C530 S531 V532 R533 N537 R538 F581 W597	F485-I535 HydrophobicContact CE1-CG2 4.31Å; F485-I535 HydrophobicContact CZ-CG2 4.06Å; I528-I535 HydrophobicContact CB-CD1 4.3Å; I528-I535 HydrophobicContact CD1-CD1 4.37Å; P529-I535 HydrophobicContact CG-CD1 4.23Å; C530-I535 VanDerWaalsContact SG-CG1 3.5Å; S531-I535 PolarHBondContact O-N 2.81Å; S531-I535 VanDerWaalsContact O-N 3.13Å; V532-I535 PolarHBondContact O-N 3.2Å; R533-I535 VanDerWaalsContact C-N 3.35Å; R533-I535 PolarHBondContact O-N 3.01Å; I535-N537 PolarHBondContact O-N 3.35Å; I535-R538 WeakPolarHBondContact O-CB 3.45Å; I535-R538 PolarHBondContact O-N 3.07Å; I535-F581 HydrophobicContact CG1-CD2 4.15Å; I535-W597 HydrophobicContact CD1-CH2 3.88Å; I535-W597 HydrophobicContact CD1-CZ3 4.14Å; I535-W597 HydrophobicContact CG2-CH2 4.32Å; I535-W597 HydrophobicContact CG2-CZ3 4.14Å
536	M	98.6	Very high	97.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-72.3	-30.2	-169.3	-62.5	-48.5	-64.3	0	0	113.7	V478 L482 F485 W513 V532 R538 W539 T540	V478-M536 HydrophobicContact CG1-CE 3.24Å; L482-M536 HydrophobicContact CB-CE 4.03Å; L482-M536 HydrophobicContact CB-SD 4.11Å; L482-M536 HydrophobicContact CD1-CG 4.15Å; L482-M536 HydrophobicContact CD1-SD 3.86Å; L482-M536 HydrophobicContact CD2-CE 3.94Å; L482-M536 HydrophobicContact CD2-CG 4.28Å; L482-M536 HydrophobicContact CD2-SD 4.18Å; L482-M536 HydrophobicContact CG-CE 4.45Å; L482-M536 HydrophobicContact CG-SD 4.29Å; F485-M536 HydrophobicContact CE1-SD 4.29Å; F485-M536 HydrophobicContact CZ-SD 4.05Å; W513-M536 HydrophobicContact CD2-CB 4Å; W513-M536 HydrophobicContact CD2-CG 4.36Å; W513-M536 HydrophobicContact CE3-CB 4.19Å; W513-M536 HydrophobicContact CE3-CG 4.07Å; W513-M536 HydrophobicContact CH2-CB 3.71Å; W513-M536 HydrophobicContact CH2-CE 3.91Å; W513-M536 HydrophobicContact CH2-CG 3.86Å; W513-M536 HydrophobicContact CZ2-CB 3.45Å; W513-M536 VanDerWaalsContact CZ2-CB 3.45Å; W513-M536 HydrophobicContact CZ2-CG 4.13Å; W513-M536 HydrophobicContact CZ3-CB 4.08Å; W513-M536 HydrophobicContact CZ3-CE 4.44Å; W513-M536 HydrophobicContact CZ3-CG 3.84Å; V532-M536 HydrophobicContact CG1-CG 3.94Å; V532-M536 WeakPolarHBondContact O-CB 3.32Å; V532-M536 VanDerWaalsContact O-CG 3.25Å; V532-M536 WeakPolarHBondContact O-CG 3.47Å; V532-M536 PolarHBondContact O-N 3.39Å; M536-R538 PolarHBondContact O-N 3.25Å; M536-W539 HydrophobicContact CE-CB 4.42Å; M536-W539 CarbonylContact O-C 3.59Å; M536-W539 WeakPolarHBondContact O-CA 3.41Å; M536-W539 PolarHBondContact O-N 2.8Å; M536-T540 PolarHBondContact O-N 2.93Å; M536-T540 PolarHBondContact O-OG1 2.71Å
537	N	98.4	Very high	97.5	Very high	18 Å²	18	30.1 Å²	30.1	10%	0.096	15%	0.15	C	C	.	.	H	α-helix	trans	-59	-31.1	173.9	-79.5	-1.1	0	0	0	112.5	R533 I535 W539 L541 F576	R533-N537 WeakPolarHBondContact O-CB 3.36Å; R533-N537 PolarHBondContact O-N 3.49Å; R533-N537 PolarHBondContact O-OD1 3.39Å; I535-N537 PolarHBondContact O-N 3.35Å; N537-W539 PolarHBondContact O-N 3.29Å; N537-L541 HydrophobicContact CB-CD1 3.9Å; N537-L541 HydrophobicContact CB-CG 4.34Å; N537-L541 VanDerWaalsContact O-CB 3.31Å; N537-L541 WeakPolarHBondContact O-CB 3.47Å; N537-L541 PolarHBondContact O-N 2.88Å; N537-F576 HydrophobicContact CB-CE2 4.34Å; N537-F576 HydrophobicContact CB-CZ 3.99Å; N537-F576 VanDerWaalsContact O-CE2 3.3Å; N537-F576 WeakPolarHBondContact O-CE2 3.26Å
538	R	98.3	Very high	97.9	Very high	43 Å²	43	22.8 Å²	22.8	16%	0.162	12%	0.116	C	C	.	.	H	α-helix	trans	-70.6	-22.3	174.2	-69	170.3	167.6	75.3	0.6	112.6	D534 I535 M536 Q542 F576 W580 F581	D534-R538 PolarHBondContact O-NH1 3.3Å; I535-R538 WeakPolarHBondContact O-CB 3.45Å; I535-R538 PolarHBondContact O-N 3.07Å; M536-R538 PolarHBondContact O-N 3.25Å; R538-Q542 WeakPolarHBondContact O-CG 3.22Å; R538-Q542 PolarHBondContact O-NE2 3.19Å; R538-F576 HydrophobicContact CB-CD2 4.45Å; R538-F576 HydrophobicContact CG-CB 4.46Å; R538-F576 HydrophobicContact CG-CD1 4.13Å; R538-F576 HydrophobicContact CG-CD2 3.95Å; R538-F576 HydrophobicContact CG-CE1 4.35Å; R538-F576 HydrophobicContact CG-CE2 4.17Å; R538-F576 HydrophobicContact CG-CG 3.92Å; R538-F576 HydrophobicContact CG-CZ 4.37Å; R538-W580 PolarHBondContact O-NE1 3.15Å; R538-F581 VanDerWaalsContact CZ-CE1 3.47Å; R538-F581 VanDerWaalsContact NE-CE1 3.29Å; R538-F581 VanDerWaalsContact NH1-CE2 3.29Å
539	W	98.6	Very high	98.1	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-93.7	-24.2	178.1	-63.1	105.1	0	0	0	112.8	V478 M481 M536 N537 P546 W580 F581 V582 Y625	V478-W539 HydrophobicContact CG1-CB 3.79Å; V478-W539 HydrophobicContact CG1-CG 4.49Å; V478-W539 HydrophobicContact CG2-CB 4.36Å; M481-W539 HydrophobicContact CE-CD2 3.51Å; M481-W539 HydrophobicContact CE-CE3 4.09Å; M481-W539 HydrophobicContact CE-CG 3.73Å; M481-W539 HydrophobicContact CE-CH2 4.4Å; M481-W539 HydrophobicContact CE-CZ2 3.86Å; M481-W539 HydrophobicContact SD-CD2 4.49Å; M481-W539 HydrophobicContact SD-CH2 4.17Å; M481-W539 HydrophobicContact SD-CZ2 3.87Å; M536-W539 HydrophobicContact CE-CB 4.42Å; M536-W539 CarbonylContact O-C 3.59Å; M536-W539 WeakPolarHBondContact O-CA 3.41Å; M536-W539 PolarHBondContact O-N 2.8Å; N537-W539 PolarHBondContact O-N 3.29Å; W539-P546 HydrophobicContact CH2-CG 4.13Å; W539-W580 AromaticContact CD2-CD1 3.58Å; W539-W580 AromaticContact CE2-CD1 3.88Å; W539-W580 AromaticContact CE3-CD1 3.45Å; W539-W580 VanDerWaalsContact CE3-CD1 3.45Å; W539-W580 HydrophobicContact CE3-CG 4.4Å; W539-W580 AromaticContact CE3-NE1 3.85Å; W539-W580 HydrophobicContact CH2-CB 4.16Å; W539-W580 AromaticContact CH2-CD1 3.98Å; W539-W580 HydrophobicContact CH2-CG 4.2Å; W539-W580 HydrophobicContact CZ2-CB 3.96Å; W539-W580 HydrophobicContact CZ2-CG 4.32Å; W539-W580 AromaticContact CZ3-CD1 3.65Å; W539-W580 HydrophobicContact CZ3-CG 4.23Å; W539-F581 PolarHBondContact NE1-O 3.37Å; W539-V582 HydrophobicContact CZ2-CG2 4.39Å; W539-Y625 HydrophobicContact CE3-CD1 4.24Å; W539-Y625 HydrophobicContact CZ3-CD1 4.06Å; W539-Y625 WeakPolarHBondContact CZ3-O 3.23Å
540	T	98.3	Very high	98.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-104.7	-33.4	-175.5	61	0	0	0	0	115.3	W403 P449 L450 S451 W513 M536	W403-T540 HydrophobicContact CH2-CG2 3.91Å; W403-T540 HydrophobicContact CZ2-CG2 3.73Å; P449-T540 VanDerWaalsContact CB-O 3.27Å; P449-T540 WeakPolarHBondContact CB-O 3.36Å; L450-T540 HydrophobicContact CB-CG2 4.48Å; L450-T540 HydrophobicContact CD1-CG2 3.96Å; L450-T540 PolarHBondContact N-O 3.19Å; L450-T540 VanDerWaalsContact N-O 3.07Å; S451-T540 PolarHBondContact N-O 3.12Å; S451-T540 VanDerWaalsContact N-O 3.1Å; W513-T540 HydrophobicContact CZ2-CG2 3.91Å; M536-T540 PolarHBondContact O-N 2.93Å; M536-T540 PolarHBondContact O-OG1 2.71Å
541	L	98	Very high	98.3	Very high	50 Å²	50	21.8 Å²	21.8	26%	0.262	11%	0.107	S	C	.	.	S	Bend	trans	-96.6	-0.5	-172.6	-54.9	-179.2	0	0	0	114.3	N537 Q575 F576	N537-L541 HydrophobicContact CB-CD1 3.9Å; N537-L541 HydrophobicContact CB-CG 4.34Å; N537-L541 VanDerWaalsContact O-CB 3.31Å; N537-L541 WeakPolarHBondContact O-CB 3.47Å; N537-L541 PolarHBondContact O-N 2.88Å; L541-Q575 VanDerWaalsContact CD1-NE2 3.32Å; L541-F576 HydrophobicContact CB-CE2 4.27Å
542	Q	97.4	Very high	98.3	Very high	3 Å²	3	20.1 Å²	20.1	1%	0.014	10%	0.095	C	C	.	.	S	Bend	trans	-129.5	148.4	169.3	61.5	-175.3	-9.4	0	0	110	R538 S574 F576 Y578 T579 W580	R538-Q542 WeakPolarHBondContact O-CG 3.22Å; R538-Q542 PolarHBondContact O-NE2 3.19Å; Q542-S574 PolarHBondContact OE1-OG 3.28Å; Q542-F576 HydrophobicContact CG-CD2 4.4Å; Q542-Y578 HydrophobicContact CB-CE1 4.46Å; Q542-Y578 VanDerWaalsContact OE1-CA 3.26Å; Q542-T579 PolarHBondContact NE2-O 3.32Å; Q542-T579 VanDerWaalsContact NE2-O 3.15Å; Q542-W580 HydrophobicContact CG-CZ2 4.17Å; Q542-W580 VanDerWaalsContact NE2-CE2 3.31Å
543	M	96.5	Very high	98.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	12%	0.124	C	C	.	.			trans	-77.3	168.2	175.8	76.9	-164.3	-159	0	0	111.3	A445 P449 V570 R572 Y578	A445-M543 VanDerWaalsContact O-CE 3.26Å; A445-M543 WeakPolarHBondContact O-CE 3.15Å; P449-M543 HydrophobicContact CG-CB 4.46Å; M543-V570 HydrophobicContact CE-CG1 3.47Å; M543-V570 VanDerWaalsContact CE-CG1 3.47Å; M543-V570 HydrophobicContact CE-CG2 4.42Å; M543-R572 HydrophobicContact CE-CB 4.43Å; M543-R572 HydrophobicContact SD-CB 4.07Å; M543-R572 HydrophobicContact SD-CG 4.46Å; M543-Y578 HydrophobicContact CG-CE1 3.95Å; M543-Y578 WeakPolarHBondContact O-CE1 3.3Å
544	G	97.4	Very high	98.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	73.9	-173.7	176.3	0	0	0	0	0	114.5	D442 K474	D442-G544 VanDerWaalsContact CG-CA 3.41Å; D442-G544 VanDerWaalsContact O-CA 3.31Å; D442-G544 WeakPolarHBondContact O-CA 3.45Å; D442-G544 WeakPolarHBondContact OD1-CA 3.35Å; D442-G544 PolarHBondContact OD1-N 3.1Å; D442-G544 VanDerWaalsContact OD2-C 3.24Å; D442-G544 WeakPolarHBondContact OD2-CA 3.26Å; D442-G544 PolarHBondContact OD2-N 3.49Å; K474-G544 PolarHBondContact NZ-O 2.64Å
545	F	98.7	Very high	98.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.			trans	-149.4	160.9	-178.9	57.2	-88.1	0	0	0	110.4	F439 D442 A443 F562 Y625 R627	F439-F545 HydrophobicContact CB-CE1 4.11Å; F439-F545 HydrophobicContact CB-CZ 3.84Å; F439-F545 AromaticContact CD1-CD1 3.68Å; F439-F545 HydrophobicContact CD1-CD1 3.68Å; F439-F545 AromaticContact CD1-CD2 3.88Å; F439-F545 HydrophobicContact CD1-CD2 3.88Å; F439-F545 AromaticContact CD1-CE1 3.43Å; F439-F545 HydrophobicContact CD1-CE1 3.43Å; F439-F545 VanDerWaalsContact CD1-CE1 3.43Å; F439-F545 AromaticContact CD1-CE2 3.65Å; F439-F545 HydrophobicContact CD1-CE2 3.65Å; F439-F545 AromaticContact CD1-CG 3.9Å; F439-F545 HydrophobicContact CD1-CG 3.9Å; F439-F545 AromaticContact CD1-CZ 3.39Å; F439-F545 HydrophobicContact CD1-CZ 3.39Å; F439-F545 HydrophobicContact CE1-CD1 4.1Å; F439-F545 AromaticContact CE1-CD2 3.75Å; F439-F545 HydrophobicContact CE1-CD2 3.75Å; F439-F545 HydrophobicContact CE1-CE1 4.23Å; F439-F545 AromaticContact CE1-CE2 3.9Å; F439-F545 HydrophobicContact CE1-CE2 3.9Å; F439-F545 AromaticContact CE1-CG 3.85Å; F439-F545 HydrophobicContact CE1-CG 3.85Å; F439-F545 HydrophobicContact CE1-CZ 4.12Å; F439-F545 HydrophobicContact CG-CE1 4.15Å; F439-F545 HydrophobicContact CG-CE2 4.23Å; F439-F545 AromaticContact CG-CZ 3.83Å; F439-F545 HydrophobicContact CG-CZ 3.83Å; D442-F545 HydrophobicContact CB-CD1 4Å; D442-F545 HydrophobicContact CB-CE1 4.03Å; A443-F545 HydrophobicContact CB-CE1 3.98Å; A443-F545 HydrophobicContact CB-CZ 3.89Å; F545-F562 HydrophobicContact CD2-CB 4.11Å; F545-F562 HydrophobicContact CE2-CB 3.78Å; F545-F562 AromaticContact CE2-CD1 3.47Å; F545-F562 HydrophobicContact CE2-CD1 3.47Å; F545-F562 VanDerWaalsContact CE2-CD1 3.47Å; F545-F562 HydrophobicContact CE2-CE1 4.34Å; F545-F562 AromaticContact CE2-CG 3.86Å; F545-F562 HydrophobicContact CE2-CG 3.86Å; F545-F562 HydrophobicContact CZ-CB 4.41Å; F545-F562 AromaticContact CZ-CD1 3.46Å; F545-F562 HydrophobicContact CZ-CD1 3.46Å; F545-F562 VanDerWaalsContact CZ-CD1 3.46Å; F545-F562 HydrophobicContact CZ-CE1 4.15Å; F545-F562 HydrophobicContact CZ-CG 4.29Å; F545-F562 PolarHBondContact O-N 2.96Å; F545-Y625 HydrophobicContact CB-CD1 3.8Å; F545-Y625 HydrophobicContact CB-CE1 3.67Å; F545-Y625 AromaticContact CD1-CE1 3.96Å; F545-Y625 HydrophobicContact CD1-CE1 3.96Å; F545-Y625 HydrophobicContact CG-CE1 4.09Å; F545-R627 HydrophobicContact CD2-CG 4.45Å; F545-R627 HydrophobicContact CE2-CG 3.75Å
546	P	98.6	Very high	98.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	151	178.9	30.9	-29.7	0	0	0	112.5	W539 Q559 K560 W580 V582 F626 R627	W539-P546 HydrophobicContact CH2-CG 4.13Å; P546-Q559 HydrophobicContact CB-CB 4.1Å; P546-K560 CarbonylContact C-O 2.99Å; P546-K560 WeakPolarHBondContact CA-O 3.42Å; P546-W580 HydrophobicContact CB-CD2 4.35Å; P546-W580 HydrophobicContact CB-CE3 3.72Å; P546-W580 HydrophobicContact CB-CZ3 4.09Å; P546-W580 HydrophobicContact CG-CB 4.17Å; P546-W580 HydrophobicContact CG-CD2 4.05Å; P546-W580 HydrophobicContact CG-CE3 3.93Å; P546-W580 HydrophobicContact CG-CG 4.16Å; P546-V582 HydrophobicContact CG-CG2 3.91Å; P546-F626 HydrophobicContact CG-CB 3.84Å; P546-F626 WeakPolarHBondContact O-CA 3.49Å; P546-F626 VanDerWaalsContact O-CB 3.28Å; P546-F626 WeakPolarHBondContact O-CB 3.48Å; P546-R627 PolarHBondContact O-N 2.8Å; P546-R627 VanDerWaalsContact O-N 3.17Å
547	V	98.8	Very high	98.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	127.9	149.9	54.9	0	0	0	0	108.2	Q559 K560 F562 R627 N629 L664 L669	V547-Q559 WeakPolarHBondContact O-CA 3.43Å; V547-K560 HydrophobicContact CG1-CD 4Å; V547-K560 HydrophobicContact CG1-CG 3.38Å; V547-K560 PolarHBondContact N-O 3.26Å; V547-K560 PolarHBondContact O-N 3.49Å; V547-K560 VanDerWaalsContact O-N 3.15Å; V547-F562 HydrophobicContact CB-CB 4.06Å; V547-F562 HydrophobicContact CB-CD2 3.79Å; V547-F562 HydrophobicContact CB-CG 4.31Å; V547-F562 HydrophobicContact CG1-CB 4.08Å; V547-F562 HydrophobicContact CG1-CD2 3.85Å; V547-F562 HydrophobicContact CG1-CG 4.46Å; V547-R627 CarbonylContact C-O 3.59Å; V547-R627 WeakPolarHBondContact CA-O 3.41Å; V547-R627 HydrophobicContact CB-CB 4.41Å; V547-R627 HydrophobicContact CG2-CB 4.38Å; V547-N629 HydrophobicContact CG2-CB 4.11Å; V547-L664 HydrophobicContact CG2-CD2 3.71Å; V547-L669 HydrophobicContact CG1-CD1 4.12Å
548	V	98.9	Very high	98.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	122.2	173.9	178	0	0	0	0	108.5	I550 I557 S558 V582 I584 L598 F626 R627 I628 N629	V548-I550 HydrophobicContact CG1-CG1 4.27Å; V548-I557 HydrophobicContact CG1-CG2 3.69Å; V548-S558 CarbonylContact C-O 3.44Å; V548-S558 VanDerWaalsContact CA-O 3.25Å; V548-S558 WeakPolarHBondContact CA-O 3.37Å; V548-V582 HydrophobicContact CG2-CG1 4.12Å; V548-I584 HydrophobicContact CG1-CD1 3.95Å; V548-L598 HydrophobicContact CG1-CD2 4.44Å; V548-L598 HydrophobicContact CG2-CD2 4.47Å; V548-F626 HydrophobicContact CB-CD2 4.31Å; V548-F626 HydrophobicContact CG2-CD2 3.78Å; V548-F626 HydrophobicContact CG2-CE2 4.26Å; V548-F626 HydrophobicContact CG2-CG 4.34Å; V548-R627 PolarHBondContact N-O 3.38Å; V548-I628 HydrophobicContact CB-CD1 3.81Å; V548-I628 HydrophobicContact CG1-CD1 4.2Å; V548-I628 CarbonylContact O-C 3.57Å; V548-I628 WeakPolarHBondContact O-CA 3.42Å; V548-N629 PolarHBondContact O-N 3.05Å
549	T	98.8	Very high	98.1	Very high	36 Å²	36	21.4 Å²	21.4	22%	0.221	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122	176.3	-54.3	0	0	0	0	109.9	I557 S558 N629	T549-I557 WeakPolarHBondContact O-CA 3.34Å; T549-S558 PolarHBondContact N-O 3.46Å; T549-S558 PolarHBondContact O-N 2.82Å; T549-N629 CarbonylContact C-O 3.59Å; T549-N629 VanDerWaalsContact CA-O 3.31Å; T549-N629 WeakPolarHBondContact CA-O 3.17Å; T549-N629 HydrophobicContact CG2-CB 4.27Å
550	I	98.8	Very high	98	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	119.2	177.9	-58.2	173.6	0	0	0	108.9	V548 T552 I557 M608 A618 N629 Y630 D631	V548-I550 HydrophobicContact CG1-CG1 4.27Å; I550-T552 HydrophobicContact CG2-CG2 3.93Å; I550-I557 HydrophobicContact CG1-CG1 4.5Å; I550-I557 HydrophobicContact CG1-CG2 4.48Å; I550-M608 HydrophobicContact CD1-SD 3.97Å; I550-M608 HydrophobicContact CG1-SD 4.48Å; I550-M608 HydrophobicContact CG2-CB 4.32Å; I550-M608 HydrophobicContact CG2-SD 4.18Å; I550-A618 HydrophobicContact CD1-CB 3.45Å; I550-A618 VanDerWaalsContact CD1-CB 3.45Å; I550-N629 PolarHBondContact N-O 3.05Å; I550-Y630 HydrophobicContact CB-CD1 4.18Å; I550-Y630 HydrophobicContact CD1-CE1 4.24Å; I550-Y630 WeakPolarHBondContact O-CA 3.27Å; I550-D631 PolarHBondContact O-N 2.83Å
551	N	98.3	Very high	98	Very high	61 Å²	61	27 Å²	27	33%	0.326	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	99.5	169.8	-177.9	-52.9	0	0	0	108.7	R553 T554 G555 G556	N551-R553 PolarHBondContact O-N 2.91Å; N551-R553 WeakPolarHBondContact OD1-CB 3.36Å; N551-R553 PolarHBondContact OD1-N 3.09Å; N551-R553 VanDerWaalsContact OD1-N 3.17Å; N551-T554 PolarHBondContact O-N 3.19Å; N551-T554 PolarHBondContact O-OG1 3.15Å; N551-T554 PolarHBondContact OD1-N 3.29Å; N551-T554 PolarHBondContact OD1-OG1 3.29Å; N551-G555 WeakPolarHBondContact O-CA 3.4Å; N551-G555 PolarHBondContact O-N 2.8Å; N551-G556 PolarHBondContact N-O 3.22Å; N551-G556 PolarHBondContact O-N 2.84Å
552	T	98.2	Very high	98	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-11.1	-175	68.4	0	0	0	0	113.2	I550 R609 V610 V616 D631 N634	I550-T552 HydrophobicContact CG2-CG2 3.93Å; T552-R609 CarbonylContact O-C 3.38Å; T552-R609 WeakPolarHBondContact O-CA 3.21Å; T552-V610 VanDerWaalsContact CB-CG2 3.43Å; T552-V610 HydrophobicContact CG2-CG2 4.48Å; T552-V610 PolarHBondContact O-N 2.86Å; T552-V610 WeakPolarHBondContact OG1-CG2 3.1Å; T552-V616 HydrophobicContact CG2-CB 4.22Å; T552-D631 WeakPolarHBondContact CB-OD2 3.27Å; T552-D631 PolarHBondContact N-OD2 3.13Å; T552-D631 PolarHBondContact OG1-OD1 3.05Å; T552-D631 PolarHBondContact OG1-OD2 3.2Å; T552-N634 HydrophobicContact CG2-CB 3.83Å
553	R	96.1	Very high	97.9	Very high	161 Å²	161	26 Å²	26	61%	0.608	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-34.9	170.6	-59.2	-179.1	177.7	-178.3	2.1	112.1	N551 D633	N551-R553 PolarHBondContact O-N 2.91Å; N551-R553 WeakPolarHBondContact OD1-CB 3.36Å; N551-R553 PolarHBondContact OD1-N 3.09Å; N551-R553 VanDerWaalsContact OD1-N 3.17Å; R553-D633 IonicContact CZ-OD2 2.91Å; R553-D633 IonicContact NE-OD2 2.7Å; R553-D633 PolarHBondContact NE-OD2 3.35Å; R553-D633 IonicContact NH2-OD1 3.2Å; R553-D633 PolarHBondContact NH2-OD1 2.58Å; R553-D633 IonicContact NH2-OD2 3.61Å; R553-D633 PolarHBondContact NH2-OD2 3.28Å
554	T	96.7	Very high	97.5	Very high	70 Å²	70	26.6 Å²	26.6	43%	0.429	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-15.1	-173.7	58.7	0	0	0	0	113.7	N551 G556 R609	N551-T554 PolarHBondContact O-N 3.19Å; N551-T554 PolarHBondContact O-OG1 3.15Å; N551-T554 PolarHBondContact OD1-N 3.29Å; N551-T554 PolarHBondContact OD1-OG1 3.29Å; T554-G556 PolarHBondContact OG1-N 2.81Å; T554-R609 VanDerWaalsContact C-NE 3.3Å; T554-R609 VanDerWaalsContact O-CZ 3.26Å; T554-R609 PolarHBondContact O-NE 2.85Å; T554-R609 PolarHBondContact O-NH2 2.8Å
555	G	97.3	Very high	96.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	10	-168.1	0	0	0	0	0	113.1	N551 T604 H605	N551-G555 WeakPolarHBondContact O-CA 3.4Å; N551-G555 PolarHBondContact O-N 2.8Å; G555-T604 CarbonylContact O-C 3.41Å; G555-T604 WeakPolarHBondContact O-CA 3.23Å; G555-H605 PolarHBondContact O-N 2.98Å
556	G	98.4	Very high	96.3	Very high	17 Å²	17	31.6 Å²	31.6	18%	0.175	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	133.6	179.6	0	0	0	0	0	111.5	N551 T554	N551-G556 PolarHBondContact N-O 3.22Å; N551-G556 PolarHBondContact O-N 2.84Å; T554-G556 PolarHBondContact OG1-N 2.81Å
557	I	98.7	Very high	95.7	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.6	179.5	-52.9	173	0	0	0	108.1	V548 T549 I550 I584 Y596 L598 T602 D603 H605 M608	V548-I557 HydrophobicContact CG1-CG2 3.69Å; T549-I557 WeakPolarHBondContact O-CA 3.34Å; I550-I557 HydrophobicContact CG1-CG1 4.5Å; I550-I557 HydrophobicContact CG1-CG2 4.48Å; I557-I584 HydrophobicContact CG2-CD1 4.34Å; I557-Y596 HydrophobicContact CD1-CD1 3.89Å; I557-Y596 HydrophobicContact CD1-CE1 3.46Å; I557-Y596 VanDerWaalsContact CD1-CE1 3.46Å; I557-L598 HydrophobicContact CB-CD1 4.43Å; I557-L598 HydrophobicContact CG2-CD1 4.06Å; I557-L598 HydrophobicContact CG2-CD2 3.89Å; I557-L598 HydrophobicContact CG2-CG 4.5Å; I557-T602 CarbonylContact O-C 3.48Å; I557-T602 VanDerWaalsContact O-CA 3.29Å; I557-T602 WeakPolarHBondContact O-CA 3.36Å; I557-D603 PolarHBondContact N-O 3.31Å; I557-D603 PolarHBondContact O-N 3.28Å; I557-D603 VanDerWaalsContact O-O 3.11Å; I557-H605 HydrophobicContact CD1-CB 3.61Å; I557-M608 HydrophobicContact CD1-CE 4.15Å; I557-M608 HydrophobicContact CD1-SD 3.49Å; I557-M608 WeakPolarHBondContact CD1-SD 3.32Å; I557-M608 HydrophobicContact CG1-SD 4.09Å
558	S	98.7	Very high	95	Very high	42 Å²	42	38.9 Å²	38.9	29%	0.294	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	151.8	175.4	61.1	0	0	0	0	111.7	V548 T549 K601	V548-S558 CarbonylContact C-O 3.44Å; V548-S558 VanDerWaalsContact CA-O 3.25Å; V548-S558 WeakPolarHBondContact CA-O 3.37Å; T549-S558 PolarHBondContact N-O 3.46Å; T549-S558 PolarHBondContact O-N 2.82Å; S558-K601 CarbonylContact C-O 3.01Å; S558-K601 VanDerWaalsContact CA-O 3.3Å; S558-K601 WeakPolarHBondContact CA-O 3.36Å
559	Q	98.6	Very high	94.4	Very high	5 Å²	5	47 Å²	47	2%	0.023	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	148	171.3	58.7	173.3	-59.7	0	0	111.2	P546 V547 W580 L598 N600 K601	P546-Q559 HydrophobicContact CB-CB 4.1Å; V547-Q559 WeakPolarHBondContact O-CA 3.43Å; Q559-W580 PolarHBondContact NE2-O 2.94Å; Q559-W580 PolarHBondContact OE1-O 2.74Å; Q559-L598 HydrophobicContact CB-CD2 3.76Å; Q559-L598 HydrophobicContact CG-CD2 3.86Å; Q559-N600 PolarHBondContact NE2-O 3.45Å; Q559-K601 PolarHBondContact N-O 3.04Å
560	K	97.5	Very high	93.9	Very high	86 Å²	86	47.4 Å²	47.4	37%	0.374	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	151.1	169.1	62.1	178.9	-176.3	179.2	0	109.7	P546 V547 F562	P546-K560 CarbonylContact C-O 2.99Å; P546-K560 WeakPolarHBondContact CA-O 3.42Å; V547-K560 HydrophobicContact CG1-CD 4Å; V547-K560 HydrophobicContact CG1-CG 3.38Å; V547-K560 PolarHBondContact N-O 3.26Å; V547-K560 PolarHBondContact O-N 3.49Å; V547-K560 VanDerWaalsContact O-N 3.15Å; K560-F562 PolarHBondContact O-N 3.11Å
561	H	98	Very high	93.3	Very high	32 Å²	32	54.3 Å²	54.3	15%	0.148	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53	122	168.9	-170	-174.7	0	0	0	109.8	Y578 W580	H561-Y578 HydrophobicContact CB-CG 4.3Å; H561-Y578 AromaticContact CE1-CD1 3.68Å; H561-Y578 AromaticContact CE1-CE1 3.49Å; H561-Y578 VanDerWaalsContact CE1-CE1 3.49Å; H561-Y578 WeakPolarHBondContact CE1-CE1 3.49Å; H561-Y578 AromaticContact CE1-CZ 3.98Å; H561-Y578 AromaticContact CG-CD1 3.89Å; H561-Y578 AromaticContact ND1-CD1 3.43Å; H561-Y578 WeakPolarHBondContact ND1-CD1 3.4Å; H561-Y578 AromaticContact ND1-CE1 3.65Å; H561-Y578 AromaticContact ND1-CG 3.61Å; H561-W580 HydrophobicContact CB-CH2 4.08Å; H561-W580 HydrophobicContact CB-CZ3 4.19Å; H561-W580 AromaticContact CD2-CH2 3.86Å; H561-W580 AromaticContact CG-CH2 3.99Å
562	F	97.8	Very high	92.9	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.009	28%	0.28	C	S	.	.			trans	-84.7	120.7	177.8	-178.8	-96.8	0	0	0	110.3	A443 F545 V547 K560 L564 N663 L664 A667 L669	A443-F562 HydrophobicContact CB-CD1 3.64Å; A443-F562 HydrophobicContact CB-CE1 3.75Å; F545-F562 HydrophobicContact CD2-CB 4.11Å; F545-F562 HydrophobicContact CE2-CB 3.78Å; F545-F562 AromaticContact CE2-CD1 3.47Å; F545-F562 HydrophobicContact CE2-CD1 3.47Å; F545-F562 VanDerWaalsContact CE2-CD1 3.47Å; F545-F562 HydrophobicContact CE2-CE1 4.34Å; F545-F562 AromaticContact CE2-CG 3.86Å; F545-F562 HydrophobicContact CE2-CG 3.86Å; F545-F562 HydrophobicContact CZ-CB 4.41Å; F545-F562 AromaticContact CZ-CD1 3.46Å; F545-F562 HydrophobicContact CZ-CD1 3.46Å; F545-F562 VanDerWaalsContact CZ-CD1 3.46Å; F545-F562 HydrophobicContact CZ-CE1 4.15Å; F545-F562 HydrophobicContact CZ-CG 4.29Å; F545-F562 PolarHBondContact O-N 2.96Å; V547-F562 HydrophobicContact CB-CB 4.06Å; V547-F562 HydrophobicContact CB-CD2 3.79Å; V547-F562 HydrophobicContact CB-CG 4.31Å; V547-F562 HydrophobicContact CG1-CB 4.08Å; V547-F562 HydrophobicContact CG1-CD2 3.85Å; V547-F562 HydrophobicContact CG1-CG 4.46Å; K560-F562 PolarHBondContact O-N 3.11Å; F562-L564 HydrophobicContact CE1-CD2 4.1Å; F562-L564 HydrophobicContact CE1-CG 4.24Å; F562-L564 HydrophobicContact CZ-CD2 4.2Å; F562-N663 HydrophobicContact CE1-CB 4.45Å; F562-N663 HydrophobicContact CZ-CB 3.97Å; F562-N663 WeakPolarHBondContact CZ-O 3.32Å; F562-L664 HydrophobicContact CE2-CD2 4.16Å; F562-A667 HydrophobicContact CD2-CB 4.46Å; F562-A667 HydrophobicContact CE2-CB 3.56Å; F562-A667 HydrophobicContact CZ-CB 3.83Å; F562-L669 HydrophobicContact CD2-CD1 4.48Å; F562-L669 HydrophobicContact CE2-CD1 4.43Å
563	L	94.9	Very high	92.6	Very high	28 Å²	28	60.3 Å²	60.3	15%	0.147	32%	0.316	C	S	.	.			trans	-120.8	139.4	171.7	-63.7	173.3	0	0	0	108.8	A443 V570 A667	A443-L563 WeakPolarHBondContact O-CA 3.35Å; L563-V570 HydrophobicContact CD1-CG2 3.63Å; L563-V570 HydrophobicContact CD2-CG2 4.09Å; L563-V570 HydrophobicContact CG-CG2 4.47Å; L563-A667 WeakPolarHBondContact O-CB 3.46Å
564	L	88.1	Confident	92.6	Very high	14 Å²	14	53.3 Å²	53.3	7%	0.073	29%	0.292	C	S	.	.	S	Bend	trans	-68	-36	177.1	-83.6	170.7	0	0	0	112.5	A443 L444 F562 N663 R666 A667	A443-L564 HydrophobicContact CB-CB 4.44Å; A443-L564 HydrophobicContact CB-CD1 4.06Å; A443-L564 HydrophobicContact CB-CG 3.72Å; A443-L564 PolarHBondContact O-N 2.85Å; L444-L564 HydrophobicContact CD2-CD1 4.28Å; F562-L564 HydrophobicContact CE1-CD2 4.1Å; F562-L564 HydrophobicContact CE1-CG 4.24Å; F562-L564 HydrophobicContact CZ-CD2 4.2Å; L564-N663 HydrophobicContact CD2-CB 4.37Å; L564-R666 HydrophobicContact CD2-CB 4.07Å; L564-R666 CarbonylContact O-C 3.56Å; L564-A667 WeakPolarHBondContact O-CA 3.5Å
565	D	85.9	Confident	92.6	Very high	42 Å²	42	56.2 Å²	56.2	23%	0.225	30%	0.3	C	S	.	.	S	Bend	trans	-109.2	111.6	169.8	179.6	19.3	0	0	0	109	D567 S568 K945	D565-D567 PolarHBondContact O-N 2.91Å; D565-D567 VanDerWaalsContact O-N 3.16Å; D565-D567 PolarHBondContact OD1-N 2.82Å; D565-S568 WeakPolarHBondContact CB-OG 3.48Å; D565-S568 WeakPolarHBondContact O-CB 3.47Å; D565-S568 PolarHBondContact O-N 3.33Å; D565-S568 VanDerWaalsContact O-N 3.12Å; D565-S568 PolarHBondContact O-OG 3.14Å; D565-K945 IonicContact OD1-NZ 3.69Å; D565-K945 PolarHBondContact OD1-NZ 2.93Å
566	P	84.8	Confident	92.6	Very high	63 Å²	63	58.2 Å²	58.2	41%	0.409	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.3	-177	26.6	-34.9	0	0	0	113.5	K668	P566-K668 HydrophobicContact CG-CB 4.46Å; P566-K668 HydrophobicContact CG-CD 4Å; P566-K668 HydrophobicContact CG-CG 4.24Å
567	D	85.8	Confident	92.5	Very high	109 Å²	109	64 Å²	64	58%	0.583	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	-2.8	178.9	-62.4	-38.8	0	0	0	113	D565 K569 K945	D565-D567 PolarHBondContact O-N 2.91Å; D565-D567 VanDerWaalsContact O-N 3.16Å; D565-D567 PolarHBondContact OD1-N 2.82Å; D567-K569 PolarHBondContact O-N 3.17Å; D567-K945 IonicContact OD2-NZ 2.86Å; D567-K945 PolarHBondContact OD2-NZ 3.28Å
568	S	84.3	Confident	92.4	Very high	44 Å²	44	65.4 Å²	65.4	31%	0.308	34%	0.341	S	S	.	.			trans	-64.6	133	176.9	-73.9	0	0	0	0	111.6	D565	D565-S568 WeakPolarHBondContact CB-OG 3.48Å; D565-S568 WeakPolarHBondContact O-CB 3.47Å; D565-S568 PolarHBondContact O-N 3.33Å; D565-S568 VanDerWaalsContact O-N 3.12Å; D565-S568 PolarHBondContact O-OG 3.14Å
569	K	86	Confident	92.4	Very high	171 Å²	171	65 Å²	65	74%	0.743	34%	0.337	S	S	*	.			trans	-85.3	123.8	173.2	-66.6	-176.5	-178.7	179.2	0	109.6	A445 D567	A445-K569 WeakPolarHBondContact CB-O 3.35Å; D567-K569 PolarHBondContact O-N 3.17Å
570	V	88.6	Confident	92.4	Very high	44 Å²	44	64.7 Å²	64.7	27%	0.267	34%	0.336	S	S	.	.			trans	-92.7	100.7	174.8	175.6	0	0	0	0	108.4	A445 M543 L563 Y578	A445-V570 HydrophobicContact CB-CG2 4.13Å; M543-V570 HydrophobicContact CE-CG1 3.47Å; M543-V570 VanDerWaalsContact CE-CG1 3.47Å; M543-V570 HydrophobicContact CE-CG2 4.42Å; L563-V570 HydrophobicContact CD1-CG2 3.63Å; L563-V570 HydrophobicContact CD2-CG2 4.09Å; L563-V570 HydrophobicContact CG-CG2 4.47Å; V570-Y578 HydrophobicContact CG1-CE2 3.8Å; V570-Y578 VanDerWaalsContact CG1-OH 3.22Å; V570-Y578 WeakPolarHBondContact CG1-OH 3.47Å
571	D	87.3	Confident	92.5	Very high	144 Å²	144	61.9 Å²	61.9	77%	0.77	32%	0.323	S	S	*	.			trans	-80.1	-24.8	-177.5	-66.4	-30.9	0	0	0	112.9	P573	D571-P573 VanDerWaalsContact O-CD 3.31Å; D571-P573 WeakPolarHBondContact O-CD 3.43Å
572	R	88.7	Confident	92.5	Very high	71 Å²	71	60.4 Å²	60.4	27%	0.268	32%	0.316	S	S	.	.	S	Bend	trans	-74.7	118.6	178	-174.8	176.7	-76.8	-89.5	5.3	109.5	E456 M543 Y578	E456-R572 IonicContact OE1-NH1 2.71Å; E456-R572 PolarHBondContact OE1-NH1 3.36Å; E456-R572 VanDerWaalsContact OE1-NH1 3.13Å; E456-R572 IonicContact OE2-CZ 3.39Å; E456-R572 IonicContact OE2-NH1 2.56Å; E456-R572 PolarHBondContact OE2-NH1 2.97Å; E456-R572 IonicContact OE2-NH2 2.77Å; E456-R572 PolarHBondContact OE2-NH2 2.74Å; M543-R572 HydrophobicContact CE-CB 4.43Å; M543-R572 HydrophobicContact SD-CB 4.07Å; M543-R572 HydrophobicContact SD-CG 4.46Å; R572-Y578 PolarHBondContact O-OH 2.78Å
573	P	92.9	Very high	92.5	Very high	118 Å²	118	60.5 Å²	60.5	77%	0.766	32%	0.318	S	S	*	.			trans	-73.4	151.2	175.8	30.1	-34.3	0	0	0	111.1	D571	D571-P573 VanDerWaalsContact O-CD 3.31Å; D571-P573 WeakPolarHBondContact O-CD 3.43Å
574	S	95.9	Very high	92.7	Very high	13 Å²	13	59.2 Å²	59.2	9%	0.091	31%	0.311	C	S	.	.			trans	-115.5	132.4	169.6	167.7	0	0	0	0	110.4	Q542 F576 N577	Q542-S574 PolarHBondContact OE1-OG 3.28Å; S574-F576 PolarHBondContact O-N 3.36Å; S574-F576 VanDerWaalsContact O-N 3.16Å; S574-F576 PolarHBondContact OG-N 2.8Å; S574-N577 PolarHBondContact O-N 3.24Å; S574-N577 VanDerWaalsContact O-N 3.12Å
575	Q	96.1	Very high	93.2	Very high	132 Å²	132	61 Å²	61	62%	0.617	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-14.4	172.1	66.8	-176.9	-7.8	0	0	113.7	L541	L541-Q575 VanDerWaalsContact CD1-NE2 3.32Å
576	F	97.4	Very high	93.8	Very high	41 Å²	41	59.1 Å²	59.1	18%	0.18	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	10.3	177.9	-51.5	-62.7	0	0	0	112.8	N537 R538 L541 Q542 S574 Y578 T579	N537-F576 HydrophobicContact CB-CE2 4.34Å; N537-F576 HydrophobicContact CB-CZ 3.99Å; N537-F576 VanDerWaalsContact O-CE2 3.3Å; N537-F576 WeakPolarHBondContact O-CE2 3.26Å; R538-F576 HydrophobicContact CB-CD2 4.45Å; R538-F576 HydrophobicContact CG-CB 4.46Å; R538-F576 HydrophobicContact CG-CD1 4.13Å; R538-F576 HydrophobicContact CG-CD2 3.95Å; R538-F576 HydrophobicContact CG-CE1 4.35Å; R538-F576 HydrophobicContact CG-CE2 4.17Å; R538-F576 HydrophobicContact CG-CG 3.92Å; R538-F576 HydrophobicContact CG-CZ 4.37Å; L541-F576 HydrophobicContact CB-CE2 4.27Å; Q542-F576 HydrophobicContact CG-CD2 4.4Å; S574-F576 PolarHBondContact O-N 3.36Å; S574-F576 VanDerWaalsContact O-N 3.16Å; S574-F576 PolarHBondContact OG-N 2.8Å; F576-Y578 PolarHBondContact O-N 2.86Å; F576-Y578 VanDerWaalsContact O-N 3.12Å; F576-T579 WeakPolarHBondContact O-CB 3.35Å; F576-T579 PolarHBondContact O-N 3.03Å; F576-T579 PolarHBondContact O-OG1 3.35Å
577	N	96.4	Very high	94.4	Very high	138 Å²	138	56.9 Å²	56.9	74%	0.738	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	37	-176.4	-62.4	-37.5	0	0	0	112.9	S574 T579	S574-N577 PolarHBondContact O-N 3.24Å; S574-N577 VanDerWaalsContact O-N 3.12Å; N577-T579 VanDerWaalsContact C-N 3.31Å; N577-T579 PolarHBondContact O-N 2.96Å
578	Y	97.7	Very high	94.9	Very high	35 Å²	35	53.7 Å²	53.7	14%	0.137	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	51	49.4	-176	-65.1	-77.8	0	0	0	113.3	Q542 M543 H561 V570 R572 F576 W580	Q542-Y578 HydrophobicContact CB-CE1 4.46Å; Q542-Y578 VanDerWaalsContact OE1-CA 3.26Å; M543-Y578 HydrophobicContact CG-CE1 3.95Å; M543-Y578 WeakPolarHBondContact O-CE1 3.3Å; H561-Y578 HydrophobicContact CB-CG 4.3Å; H561-Y578 AromaticContact CE1-CD1 3.68Å; H561-Y578 AromaticContact CE1-CE1 3.49Å; H561-Y578 VanDerWaalsContact CE1-CE1 3.49Å; H561-Y578 WeakPolarHBondContact CE1-CE1 3.49Å; H561-Y578 AromaticContact CE1-CZ 3.98Å; H561-Y578 AromaticContact CG-CD1 3.89Å; H561-Y578 AromaticContact ND1-CD1 3.43Å; H561-Y578 WeakPolarHBondContact ND1-CD1 3.4Å; H561-Y578 AromaticContact ND1-CE1 3.65Å; H561-Y578 AromaticContact ND1-CG 3.61Å; V570-Y578 HydrophobicContact CG1-CE2 3.8Å; V570-Y578 VanDerWaalsContact CG1-OH 3.22Å; V570-Y578 WeakPolarHBondContact CG1-OH 3.47Å; R572-Y578 PolarHBondContact O-OH 2.78Å; F576-Y578 PolarHBondContact O-N 2.86Å; F576-Y578 VanDerWaalsContact O-N 3.12Å; Y578-W580 AromaticContact CD1-CH2 3.71Å; Y578-W580 HydrophobicContact CD1-CH2 3.71Å; Y578-W580 HydrophobicContact CD1-CZ2 4.12Å; Y578-W580 HydrophobicContact CG-CH2 4.29Å; Y578-W580 WeakPolarHBondContact O-CZ3 3.36Å
579	T	98.2	Very high	95.4	Very high	32 Å²	32	54.7 Å²	54.7	20%	0.196	28%	0.275	C	S	.	.			trans	-117.9	133.6	170.3	-55	0	0	0	0	108.8	Q542 F576 N577	Q542-T579 PolarHBondContact NE2-O 3.32Å; Q542-T579 VanDerWaalsContact NE2-O 3.15Å; F576-T579 WeakPolarHBondContact O-CB 3.35Å; F576-T579 PolarHBondContact O-N 3.03Å; F576-T579 PolarHBondContact O-OG1 3.35Å; N577-T579 VanDerWaalsContact C-N 3.31Å; N577-T579 PolarHBondContact O-N 2.96Å
580	W	98.7	Very high	95.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.258	C	S	.	.			trans	-113.9	158.8	-179	-67.9	-99.6	0	0	0	110.9	R538 W539 Q542 P546 Q559 H561 Y578 V582	R538-W580 PolarHBondContact O-NE1 3.15Å; W539-W580 AromaticContact CD2-CD1 3.58Å; W539-W580 AromaticContact CE2-CD1 3.88Å; W539-W580 AromaticContact CE3-CD1 3.45Å; W539-W580 VanDerWaalsContact CE3-CD1 3.45Å; W539-W580 HydrophobicContact CE3-CG 4.4Å; W539-W580 AromaticContact CE3-NE1 3.85Å; W539-W580 HydrophobicContact CH2-CB 4.16Å; W539-W580 AromaticContact CH2-CD1 3.98Å; W539-W580 HydrophobicContact CH2-CG 4.2Å; W539-W580 HydrophobicContact CZ2-CB 3.96Å; W539-W580 HydrophobicContact CZ2-CG 4.32Å; W539-W580 AromaticContact CZ3-CD1 3.65Å; W539-W580 HydrophobicContact CZ3-CG 4.23Å; Q542-W580 HydrophobicContact CG-CZ2 4.17Å; Q542-W580 VanDerWaalsContact NE2-CE2 3.31Å; P546-W580 HydrophobicContact CB-CD2 4.35Å; P546-W580 HydrophobicContact CB-CE3 3.72Å; P546-W580 HydrophobicContact CB-CZ3 4.09Å; P546-W580 HydrophobicContact CG-CB 4.17Å; P546-W580 HydrophobicContact CG-CD2 4.05Å; P546-W580 HydrophobicContact CG-CE3 3.93Å; P546-W580 HydrophobicContact CG-CG 4.16Å; Q559-W580 PolarHBondContact NE2-O 2.94Å; Q559-W580 PolarHBondContact OE1-O 2.74Å; H561-W580 HydrophobicContact CB-CH2 4.08Å; H561-W580 HydrophobicContact CB-CZ3 4.19Å; H561-W580 AromaticContact CD2-CH2 3.86Å; H561-W580 AromaticContact CG-CH2 3.99Å; Y578-W580 AromaticContact CD1-CH2 3.71Å; Y578-W580 HydrophobicContact CD1-CH2 3.71Å; Y578-W580 HydrophobicContact CD1-CZ2 4.12Å; Y578-W580 HydrophobicContact CG-CH2 4.29Å; Y578-W580 WeakPolarHBondContact O-CZ3 3.36Å; W580-V582 HydrophobicContact CB-CG2 3.88Å
581	F	98.6	Very high	96	Very high	27 Å²	27	50.6 Å²	50.6	12%	0.118	27%	0.272	C	S	.	.			trans	-95.7	106.4	165.2	-68.4	-10.9	0	0	0	107.4	C530 I535 R538 W539 P583 L599	C530-F581 VanDerWaalsContact SG-CD2 3.53Å; C530-F581 WeakPolarHBondContact SG-CE2 3.26Å; I535-F581 HydrophobicContact CG1-CD2 4.15Å; R538-F581 VanDerWaalsContact CZ-CE1 3.47Å; R538-F581 VanDerWaalsContact NE-CE1 3.29Å; R538-F581 VanDerWaalsContact NH1-CE2 3.29Å; W539-F581 PolarHBondContact NE1-O 3.37Å; F581-P583 WeakPolarHBondContact O-CD 3.44Å; F581-L599 HydrophobicContact CB-CD2 4.08Å; F581-L599 HydrophobicContact CD1-CB 4.3Å; F581-L599 HydrophobicContact CD1-CD2 3.99Å; F581-L599 WeakPolarHBondContact CD1-O 3.3Å; F581-L599 HydrophobicContact CD2-CD2 4.22Å; F581-L599 HydrophobicContact CE1-CB 4.27Å; F581-L599 HydrophobicContact CE1-CD2 4.45Å; F581-L599 WeakPolarHBondContact CE1-O 3.19Å; F581-L599 HydrophobicContact CG-CD2 3.85Å
582	V	98.8	Very high	96.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	115.8	-165.6	-169.3	0	0	0	0	110.4	W539 P546 V548 W580 I584 L598 F626	W539-V582 HydrophobicContact CZ2-CG2 4.39Å; P546-V582 HydrophobicContact CG-CG2 3.91Å; V548-V582 HydrophobicContact CG2-CG1 4.12Å; W580-V582 HydrophobicContact CB-CG2 3.88Å; V582-I584 HydrophobicContact CB-CG1 4.39Å; V582-I584 HydrophobicContact CG1-CG1 3.91Å; V582-I584 PolarHBondContact O-N 3.13Å; V582-L598 HydrophobicContact CB-CB 4.24Å; V582-L598 PolarHBondContact N-O 2.88Å; V582-L598 VanDerWaalsContact N-O 3.07Å; V582-L598 PolarHBondContact O-N 2.83Å; V582-F626 HydrophobicContact CG1-CD1 3.31Å; V582-F626 HydrophobicContact CG1-CD2 4.14Å; V582-F626 HydrophobicContact CG1-CE1 3.3Å; V582-F626 HydrophobicContact CG1-CE2 4.13Å; V582-F626 HydrophobicContact CG1-CG 3.74Å; V582-F626 HydrophobicContact CG1-CZ 3.76Å
583	P	98.2	Very high	96.9	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.032	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	109.1	171.3	29.7	-30.4	0	0	0	110	M481 F485 F581 W597 F626	M481-P583 HydrophobicContact CG-CG 3.93Å; M481-P583 HydrophobicContact SD-CG 3.98Å; F485-P583 HydrophobicContact CB-CB 4.48Å; F485-P583 HydrophobicContact CD1-CB 4.42Å; F485-P583 HydrophobicContact CD1-CG 4.05Å; F581-P583 WeakPolarHBondContact O-CD 3.44Å; P583-W597 HydrophobicContact CB-CD2 4.29Å; P583-W597 HydrophobicContact CB-CE3 4.08Å; P583-W597 HydrophobicContact CB-CH2 3.73Å; P583-W597 HydrophobicContact CB-CZ2 3.94Å; P583-W597 HydrophobicContact CB-CZ3 3.79Å; P583-W597 HydrophobicContact CG-CH2 4.15Å; P583-W597 HydrophobicContact CG-CZ3 4.11Å; P583-F626 WeakPolarHBondContact O-CE1 3.41Å
584	I	98.6	Very high	97	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	96.8	-177.1	-54.6	175.9	0	0	0	109.1	V548 I557 V582 W586 Y596 L598 M608 A618 F626	V548-I584 HydrophobicContact CG1-CD1 3.95Å; I557-I584 HydrophobicContact CG2-CD1 4.34Å; V582-I584 HydrophobicContact CB-CG1 4.39Å; V582-I584 HydrophobicContact CG1-CG1 3.91Å; V582-I584 PolarHBondContact O-N 3.13Å; I584-W586 HydrophobicContact CG2-CB 4.32Å; I584-Y596 WeakPolarHBondContact CA-O 3.09Å; I584-Y596 WeakPolarHBondContact CB-O 3.03Å; I584-Y596 HydrophobicContact CD1-CD1 4.1Å; I584-Y596 HydrophobicContact CD1-CE1 4.48Å; I584-Y596 PolarHBondContact N-O 2.94Å; I584-Y596 PolarHBondContact O-N 2.81Å; I584-L598 HydrophobicContact CD1-CB 3.93Å; I584-M608 HydrophobicContact CG2-CE 4.22Å; I584-A618 HydrophobicContact CG2-CB 3.96Å; I584-F626 HydrophobicContact CG1-CE2 4.43Å; I584-F626 HydrophobicContact CG1-CZ 4.1Å
585	K	98.1	Very high	97	Very high	53 Å²	53	53.1 Å²	53.1	23%	0.23	27%	0.274	C	S	.	.			trans	-75.1	133.8	160.7	-62.8	-169	-178.2	175.7	0	108.7	E484 Q595 N619 T620	E484-K585 PolarHBondContact O-NZ 2.98Å; E484-K585 IonicContact OE2-NZ 3.82Å; E484-K585 PolarHBondContact OE2-NZ 2.72Å; K585-Q595 HydrophobicContact CG-CB 4.5Å; K585-Q595 HydrophobicContact CG-CG 4.32Å; K585-N619 VanDerWaalsContact O-CA 3.28Å; K585-N619 WeakPolarHBondContact O-CA 3.16Å; K585-N619 PolarHBondContact O-N 2.78Å; K585-T620 WeakPolarHBondContact CB-OG1 3.24Å; K585-T620 PolarHBondContact O-N 3.11Å; K585-T620 VanDerWaalsContact O-N 3.15Å
586	W	98.2	Very high	97.1	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	161.6	-173.7	68.2	-70	0	0	0	111.2	I584 K588 Q593 Q594 H605 Q607 M608 V616 L617 A618	I584-W586 HydrophobicContact CG2-CB 4.32Å; W586-K588 HydrophobicContact CZ3-CB 4.13Å; W586-Q593 HydrophobicContact CD2-CB 3.76Å; W586-Q593 HydrophobicContact CD2-CG 3.94Å; W586-Q593 HydrophobicContact CE3-CB 4.23Å; W586-Q593 HydrophobicContact CE3-CG 3.88Å; W586-Q593 HydrophobicContact CG-CB 4.26Å; W586-Q593 HydrophobicContact CH2-CB 4.04Å; W586-Q593 HydrophobicContact CH2-CG 3.68Å; W586-Q593 HydrophobicContact CZ2-CB 3.54Å; W586-Q593 HydrophobicContact CZ2-CG 3.74Å; W586-Q593 HydrophobicContact CZ3-CB 4.38Å; W586-Q593 HydrophobicContact CZ3-CG 3.76Å; W586-Q593 WeakPolarHBondContact O-CB 3.43Å; W586-Q593 PolarHBondContact O-N 3.28Å; W586-Q594 PolarHBondContact NE1-O 3.01Å; W586-H605 AromaticContact CZ2-CD2 3.73Å; W586-H605 AromaticContact CZ2-NE2 3.43Å; W586-H605 WeakPolarHBondContact CZ2-NE2 3.45Å; W586-Q607 VanDerWaalsContact CH2-C 3.49Å; W586-Q607 HydrophobicContact CH2-CB 3.61Å; W586-Q607 WeakPolarHBondContact CH2-O 3.41Å; W586-Q607 HydrophobicContact CZ2-CB 3.96Å; W586-M608 HydrophobicContact CB-CE 4.12Å; W586-M608 HydrophobicContact CD2-CE 3.42Å; W586-M608 VanDerWaalsContact CD2-CE 3.42Å; W586-M608 HydrophobicContact CD2-CG 3.92Å; W586-M608 HydrophobicContact CD2-SD 4.49Å; W586-M608 HydrophobicContact CE3-CE 4.01Å; W586-M608 HydrophobicContact CE3-CG 3.54Å; W586-M608 HydrophobicContact CG-CE 3.45Å; W586-M608 VanDerWaalsContact CG-CE 3.45Å; W586-M608 HydrophobicContact CH2-CG 3.72Å; W586-M608 HydrophobicContact CZ2-CE 4.31Å; W586-M608 HydrophobicContact CZ2-CG 4.08Å; W586-M608 HydrophobicContact CZ3-CB 4.26Å; W586-M608 HydrophobicContact CZ3-CG 3.42Å; W586-M608 VanDerWaalsContact CZ3-CG 3.42Å; W586-V616 HydrophobicContact CE3-CG1 4.03Å; W586-V616 HydrophobicContact CE3-CG2 4.42Å; W586-V616 HydrophobicContact CZ3-CG2 4.16Å; W586-L617 CarbonylContact C-O 3.46Å; W586-L617 WeakPolarHBondContact CA-O 2.86Å; W586-A618 HydrophobicContact CB-CB 4.09Å
587	M	97.5	Very high	97.1	Very high	17 Å²	17	48.2 Å²	48.2	8%	0.084	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	156.7	177.8	68.9	-176.7	-25	0	0	110.8	G590 V591 W615 L617 T620	M587-G590 VanDerWaalsContact CE-CA 3.46Å; M587-G590 WeakPolarHBondContact CE-O 3.27Å; M587-V591 VanDerWaalsContact CA-O 3.26Å; M587-V591 WeakPolarHBondContact CA-O 3.45Å; M587-V591 WeakPolarHBondContact CB-O 3.39Å; M587-W615 HydrophobicContact CG-CZ3 3.96Å; M587-W615 HydrophobicContact SD-CH2 4.08Å; M587-W615 HydrophobicContact SD-CZ3 3.98Å; M587-L617 HydrophobicContact CG-CB 3.81Å; M587-L617 HydrophobicContact CG-CD2 4.03Å; M587-L617 PolarHBondContact N-O 3.36Å; M587-L617 PolarHBondContact O-N 2.65Å; M587-L617 HydrophobicContact SD-CB 4.26Å; M587-L617 HydrophobicContact SD-CD2 3.57Å; M587-L617 VanDerWaalsContact SD-CD2 3.57Å; M587-T620 HydrophobicContact CB-CG2 4.06Å; M587-T620 HydrophobicContact CG-CG2 3.94Å; M587-T620 HydrophobicContact SD-CG2 4.15Å
588	K	96.9	Very high	97.2	Very high	41 Å²	41	41.7 Å²	41.7	18%	0.178	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123	172.8	-174	174.2	174.9	178.8	0	108.8	W586 G590 V591 Q593 R609 E614 W615 V616	W586-K588 HydrophobicContact CZ3-CB 4.13Å; K588-G590 VanDerWaalsContact C-N 3.31Å; K588-G590 PolarHBondContact O-N 3.38Å; K588-V591 PolarHBondContact N-O 2.95Å; K588-V591 PolarHBondContact O-N 2.97Å; K588-Q593 HydrophobicContact CB-CG 4.38Å; K588-R609 PolarHBondContact NZ-O 3.23Å; K588-E614 VanDerWaalsContact CE-CD 3.44Å; K588-E614 WeakPolarHBondContact CE-OE1 3.22Å; K588-E614 IonicContact NZ-OE1 2.97Å; K588-E614 PolarHBondContact NZ-OE1 2.86Å; K588-E614 VanDerWaalsContact NZ-OE1 3.11Å; K588-E614 IonicContact NZ-OE2 3.49Å; K588-E614 PolarHBondContact NZ-OE2 2.98Å; K588-E614 VanDerWaalsContact NZ-OE2 3.13Å; K588-W615 WeakPolarHBondContact CA-O 3.42Å; K588-V616 HydrophobicContact CB-CG2 4.43Å; K588-V616 HydrophobicContact CG-CG2 4.23Å
589	N	94.1	Very high	97.2	Very high	66 Å²	66	42.8 Å²	42.8	35%	0.353	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	42.2	-179.9	-54.6	-33.3	0	0	0	114.6	V591 E614 W615	N589-V591 VanDerWaalsContact C-N 3.29Å; N589-V591 PolarHBondContact O-N 3.47Å; N589-E614 WeakPolarHBondContact ND2-CG 3.43Å; N589-E614 WeakPolarHBondContact OD1-CA 3.31Å; N589-E614 WeakPolarHBondContact OD1-CB 3.47Å; N589-W615 PolarHBondContact N-O 3.12Å; N589-W615 PolarHBondContact OD1-N 2.98Å; N589-W615 PolarHBondContact OD1-O 3.09Å
590	G	92.9	Very high	97.2	Very high	38 Å²	38	46.1 Å²	46.1	39%	0.392	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	0.3	-179.3	0	0	0	0	0	115.1	M587 K588	M587-G590 VanDerWaalsContact CE-CA 3.46Å; M587-G590 WeakPolarHBondContact CE-O 3.27Å; K588-G590 VanDerWaalsContact C-N 3.31Å; K588-G590 PolarHBondContact O-N 3.38Å
591	V	95.6	Very high	97.1	Very high	91 Å²	91	52.6 Å²	52.6	55%	0.552	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	119.1	178.5	-174.9	0	0	0	0	110.8	M587 K588 N589 Q593	M587-V591 VanDerWaalsContact CA-O 3.26Å; M587-V591 WeakPolarHBondContact CA-O 3.45Å; M587-V591 WeakPolarHBondContact CB-O 3.39Å; K588-V591 PolarHBondContact N-O 2.95Å; K588-V591 PolarHBondContact O-N 2.97Å; N589-V591 VanDerWaalsContact C-N 3.29Å; N589-V591 PolarHBondContact O-N 3.47Å; V591-Q593 PolarHBondContact O-NE2 3.33Å
592	D	96.4	Very high	97.1	Very high	112 Å²	112	55.8 Å²	55.8	60%	0.599	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	140.6	175.1	-73.6	-25.6	0	0	0	111.8
593	Q	97.5	Very high	97.1	Very high	64 Å²	64	59.1 Å²	59.1	30%	0.299	31%	0.306	S	S	.	.			trans	-114.8	166.5	-179	-56.9	-61.4	-55.6	0	0	110.6	W586 K588 V591 Q595	W586-Q593 HydrophobicContact CD2-CB 3.76Å; W586-Q593 HydrophobicContact CD2-CG 3.94Å; W586-Q593 HydrophobicContact CE3-CB 4.23Å; W586-Q593 HydrophobicContact CE3-CG 3.88Å; W586-Q593 HydrophobicContact CG-CB 4.26Å; W586-Q593 HydrophobicContact CH2-CB 4.04Å; W586-Q593 HydrophobicContact CH2-CG 3.68Å; W586-Q593 HydrophobicContact CZ2-CB 3.54Å; W586-Q593 HydrophobicContact CZ2-CG 3.74Å; W586-Q593 HydrophobicContact CZ3-CB 4.38Å; W586-Q593 HydrophobicContact CZ3-CG 3.76Å; W586-Q593 WeakPolarHBondContact O-CB 3.43Å; W586-Q593 PolarHBondContact O-N 3.28Å; K588-Q593 HydrophobicContact CB-CG 4.38Å; V591-Q593 PolarHBondContact O-NE2 3.33Å; Q593-Q595 PolarHBondContact O-N 2.78Å
594	Q	95.1	Very high	97.1	Very high	169 Å²	169	62.8 Å²	62.8	79%	0.79	33%	0.329	S	S	*	.			trans	-61.7	134.9	173.9	-171.9	174.9	10.2	0	0	110.5	W586 Y596	W586-Q594 PolarHBondContact NE1-O 3.01Å; Q594-Y596 PolarHBondContact O-N 3.41Å
595	Q	96.1	Very high	97	Very high	54 Å²	54	64.3 Å²	64.3	25%	0.252	34%	0.336	S	S	.	.			trans	-54.9	133.6	177	-179.1	172.7	-65.2	0	0	110.6	K585 Q593	K585-Q595 HydrophobicContact CG-CB 4.5Å; K585-Q595 HydrophobicContact CG-CG 4.32Å; Q593-Q595 PolarHBondContact O-N 2.78Å
596	Y	97.8	Very high	96.9	Very high	29 Å²	29	64.6 Å²	64.6	11%	0.114	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.8	177.9	172.8	-99.6	0	0	0	110.3	I557 I584 Q594 L598 D603 H605 M608	I557-Y596 HydrophobicContact CD1-CD1 3.89Å; I557-Y596 HydrophobicContact CD1-CE1 3.46Å; I557-Y596 VanDerWaalsContact CD1-CE1 3.46Å; I584-Y596 WeakPolarHBondContact CA-O 3.09Å; I584-Y596 WeakPolarHBondContact CB-O 3.03Å; I584-Y596 HydrophobicContact CD1-CD1 4.1Å; I584-Y596 HydrophobicContact CD1-CE1 4.48Å; I584-Y596 PolarHBondContact N-O 2.94Å; I584-Y596 PolarHBondContact O-N 2.81Å; Q594-Y596 PolarHBondContact O-N 3.41Å; Y596-L598 HydrophobicContact CE1-CB 4.12Å; Y596-L598 HydrophobicContact CE1-CD1 4.39Å; Y596-D603 WeakPolarHBondContact OH-CB 3.43Å; Y596-D603 PolarHBondContact OH-OD2 2.65Å; Y596-H605 HydrophobicContact CD2-CB 4.48Å; Y596-H605 AromaticContact CD2-ND1 3.74Å; Y596-H605 HydrophobicContact CE2-CB 4.26Å; Y596-H605 AromaticContact CE2-ND1 3.94Å; Y596-M608 HydrophobicContact CD1-CE 4.49Å
597	W	98.4	Very high	96.9	Very high	41 Å²	41	70 Å²	70	16%	0.155	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	115	179.1	-77.8	95	0	0	0	110.8	F485 P529 I535 P583 L599	F485-W597 HydrophobicContact CB-CH2 4.45Å; F485-W597 HydrophobicContact CB-CZ2 4.14Å; F485-W597 AromaticContact CD1-CH2 3.97Å; F485-W597 HydrophobicContact CD1-CH2 3.97Å; F485-W597 HydrophobicContact CD1-CZ2 4.48Å; F485-W597 HydrophobicContact CD2-CH2 4.14Å; F485-W597 HydrophobicContact CD2-CZ2 4.18Å; F485-W597 HydrophobicContact CE1-CH2 4.15Å; F485-W597 HydrophobicContact CE2-CH2 4.35Å; F485-W597 AromaticContact CG-CH2 3.97Å; F485-W597 HydrophobicContact CG-CH2 3.97Å; F485-W597 HydrophobicContact CG-CZ2 4.06Å; F485-W597 HydrophobicContact CZ-CH2 4.34Å; P529-W597 HydrophobicContact CB-CG 4.39Å; P529-W597 HydrophobicContact CG-CB 4.28Å; P529-W597 HydrophobicContact CG-CD2 3.51Å; P529-W597 HydrophobicContact CG-CE3 3.71Å; P529-W597 HydrophobicContact CG-CG 3.79Å; P529-W597 HydrophobicContact CG-CH2 4.46Å; P529-W597 HydrophobicContact CG-CZ2 4.31Å; P529-W597 HydrophobicContact CG-CZ3 4.19Å; I535-W597 HydrophobicContact CD1-CH2 3.88Å; I535-W597 HydrophobicContact CD1-CZ3 4.14Å; I535-W597 HydrophobicContact CG2-CH2 4.32Å; I535-W597 HydrophobicContact CG2-CZ3 4.14Å; P583-W597 HydrophobicContact CB-CD2 4.29Å; P583-W597 HydrophobicContact CB-CE3 4.08Å; P583-W597 HydrophobicContact CB-CH2 3.73Å; P583-W597 HydrophobicContact CB-CZ2 3.94Å; P583-W597 HydrophobicContact CB-CZ3 3.79Å; P583-W597 HydrophobicContact CG-CH2 4.15Å; P583-W597 HydrophobicContact CG-CZ3 4.11Å; W597-L599 HydrophobicContact CB-CD2 4.16Å; W597-L599 HydrophobicContact CB-CG 4.4Å; W597-L599 PolarHBondContact O-N 3.07Å
598	L	98.4	Very high	96.8	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	100.1	172.6	-177.2	67.7	0	0	0	109.4	V548 I557 Q559 V582 I584 Y596 N600 D603	V548-L598 HydrophobicContact CG1-CD2 4.44Å; V548-L598 HydrophobicContact CG2-CD2 4.47Å; I557-L598 HydrophobicContact CB-CD1 4.43Å; I557-L598 HydrophobicContact CG2-CD1 4.06Å; I557-L598 HydrophobicContact CG2-CD2 3.89Å; I557-L598 HydrophobicContact CG2-CG 4.5Å; Q559-L598 HydrophobicContact CB-CD2 3.76Å; Q559-L598 HydrophobicContact CG-CD2 3.86Å; V582-L598 HydrophobicContact CB-CB 4.24Å; V582-L598 PolarHBondContact N-O 2.88Å; V582-L598 VanDerWaalsContact N-O 3.07Å; V582-L598 PolarHBondContact O-N 2.83Å; I584-L598 HydrophobicContact CD1-CB 3.93Å; Y596-L598 HydrophobicContact CE1-CB 4.12Å; Y596-L598 HydrophobicContact CE1-CD1 4.39Å; L598-N600 WeakPolarHBondContact CD1-O 3.37Å; L598-N600 WeakPolarHBondContact CG-O 3.48Å; L598-D603 HydrophobicContact CD1-CB 3.79Å
599	L	98	Very high	96.8	Very high	59 Å²	59	73 Å²	73	31%	0.309	38%	0.382	S	S	.	.			trans	-93.2	-21.7	-177.2	-56.7	-178.9	0	0	0	113.4	P529 F581 W597	P529-L599 HydrophobicContact CB-CD1 3.95Å; P529-L599 HydrophobicContact CB-CD2 3.93Å; P529-L599 HydrophobicContact CG-CD2 3.88Å; F581-L599 HydrophobicContact CB-CD2 4.08Å; F581-L599 HydrophobicContact CD1-CB 4.3Å; F581-L599 HydrophobicContact CD1-CD2 3.99Å; F581-L599 WeakPolarHBondContact CD1-O 3.3Å; F581-L599 HydrophobicContact CD2-CD2 4.22Å; F581-L599 HydrophobicContact CE1-CB 4.27Å; F581-L599 HydrophobicContact CE1-CD2 4.45Å; F581-L599 WeakPolarHBondContact CE1-O 3.19Å; F581-L599 HydrophobicContact CG-CD2 3.85Å; W597-L599 HydrophobicContact CB-CD2 4.16Å; W597-L599 HydrophobicContact CB-CG 4.4Å; W597-L599 PolarHBondContact O-N 3.07Å
600	N	97.2	Very high	96.9	Very high	102 Å²	102	70.8 Å²	70.8	55%	0.545	37%	0.371	S	S	.	.	S	Bend	trans	-112.3	168.4	-179.3	-66.6	-53.4	0	0	0	110.9	Q559 L598 T602	Q559-N600 PolarHBondContact NE2-O 3.45Å; L598-N600 WeakPolarHBondContact CD1-O 3.37Å; L598-N600 WeakPolarHBondContact CG-O 3.48Å; N600-T602 PolarHBondContact O-N 3.02Å
601	K	97.6	Very high	96.7	Very high	135 Å²	135	72.7 Å²	72.7	59%	0.587	38%	0.379	S	S	*	.	S	Bend	trans	-60	-32.6	176.1	-170.6	173.1	-177.8	173.6	0	112.6	S558 Q559	S558-K601 CarbonylContact C-O 3.01Å; S558-K601 VanDerWaalsContact CA-O 3.3Å; S558-K601 WeakPolarHBondContact CA-O 3.36Å; Q559-K601 PolarHBondContact N-O 3.04Å
602	T	98.3	Very high	96.5	Very high	95 Å²	95	71.1 Å²	71.1	58%	0.583	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.9	146.3	178.9	56	0	0	0	0	109.8	I557 N600	I557-T602 CarbonylContact O-C 3.48Å; I557-T602 VanDerWaalsContact O-CA 3.29Å; I557-T602 WeakPolarHBondContact O-CA 3.36Å; N600-T602 PolarHBondContact O-N 3.02Å
603	D	98.1	Very high	96.2	Very high	70 Å²	70	73.4 Å²	73.4	37%	0.374	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	178.3	171.2	-158.5	-5.7	0	0	0	109.9	I557 Y596 L598	I557-D603 PolarHBondContact N-O 3.31Å; I557-D603 PolarHBondContact O-N 3.28Å; I557-D603 VanDerWaalsContact O-O 3.11Å; Y596-D603 WeakPolarHBondContact OH-CB 3.43Å; Y596-D603 PolarHBondContact OH-OD2 2.65Å; L598-D603 HydrophobicContact CD1-CB 3.79Å
604	T	97.8	Very high	96.1	Very high	82 Å²	82	72.9 Å²	72.9	50%	0.503	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	124.5	175	-61.5	0	0	0	0	110.5	G555	G555-T604 CarbonylContact O-C 3.41Å; G555-T604 WeakPolarHBondContact O-CA 3.23Å
605	H	97.4	Very high	96.2	Very high	32 Å²	32	65.6 Å²	65.6	15%	0.148	35%	0.351	C	S	.	.			trans	-120.3	102.3	176	-167.8	60.3	0	0	0	110.4	G555 I557 W586 Y596 Q607 M608	G555-H605 PolarHBondContact O-N 2.98Å; I557-H605 HydrophobicContact CD1-CB 3.61Å; W586-H605 AromaticContact CZ2-CD2 3.73Å; W586-H605 AromaticContact CZ2-NE2 3.43Å; W586-H605 WeakPolarHBondContact CZ2-NE2 3.45Å; Y596-H605 HydrophobicContact CD2-CB 4.48Å; Y596-H605 AromaticContact CD2-ND1 3.74Å; Y596-H605 HydrophobicContact CE2-CB 4.26Å; Y596-H605 AromaticContact CE2-ND1 3.94Å; H605-Q607 PolarHBondContact CE1-OE1 3.09Å; H605-Q607 VanDerWaalsContact CE1-OE1 3.29Å; H605-Q607 PolarHBondContact NE2-OE1 2.92Å; H605-Q607 PolarHBondContact O-N 3.08Å; H605-Q607 VanDerWaalsContact O-N 3.12Å; H605-M608 HydrophobicContact CB-SD 4.5Å; H605-M608 PolarHBondContact O-N 2.79Å; H605-M608 VanDerWaalsContact O-N 3.1Å
606	A	96.5	Very high	96.3	Very high	59 Å²	59	63 Å²	63	49%	0.488	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-60.6	-26.3	-171.3	0	0	0	0	0	114.1	M608 R609	A606-M608 VanDerWaalsContact C-N 3.26Å; A606-M608 PolarHBondContact O-N 3.33Å; A606-R609 VanDerWaalsContact O-CB 3.3Å; A606-R609 WeakPolarHBondContact O-CB 3.5Å; A606-R609 WeakPolarHBondContact O-CG 3.38Å; A606-R609 PolarHBondContact O-N 3.24Å; A606-R609 VanDerWaalsContact O-N 3.14Å
607	Q	96.6	Very high	96.3	Very high	113 Å²	113	61.7 Å²	61.7	53%	0.528	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-70.5	-21.6	180	-59.1	-179	-61	0	0	112.9	W586 H605 R609	W586-Q607 VanDerWaalsContact CH2-C 3.49Å; W586-Q607 HydrophobicContact CH2-CB 3.61Å; W586-Q607 WeakPolarHBondContact CH2-O 3.41Å; W586-Q607 HydrophobicContact CZ2-CB 3.96Å; H605-Q607 PolarHBondContact CE1-OE1 3.09Å; H605-Q607 VanDerWaalsContact CE1-OE1 3.29Å; H605-Q607 PolarHBondContact NE2-OE1 2.92Å; H605-Q607 PolarHBondContact O-N 3.08Å; H605-Q607 VanDerWaalsContact O-N 3.12Å; Q607-R609 PolarHBondContact O-N 3.04Å
608	M	97.3	Very high	96.3	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-79.9	6.4	172.4	-76.3	173.4	-168.3	0	0	113.2	I550 I557 I584 W586 Y596 H605 A606 V616	I550-M608 HydrophobicContact CD1-SD 3.97Å; I550-M608 HydrophobicContact CG1-SD 4.48Å; I550-M608 HydrophobicContact CG2-CB 4.32Å; I550-M608 HydrophobicContact CG2-SD 4.18Å; I557-M608 HydrophobicContact CD1-CE 4.15Å; I557-M608 HydrophobicContact CD1-SD 3.49Å; I557-M608 WeakPolarHBondContact CD1-SD 3.32Å; I557-M608 HydrophobicContact CG1-SD 4.09Å; I584-M608 HydrophobicContact CG2-CE 4.22Å; W586-M608 HydrophobicContact CB-CE 4.12Å; W586-M608 HydrophobicContact CD2-CE 3.42Å; W586-M608 VanDerWaalsContact CD2-CE 3.42Å; W586-M608 HydrophobicContact CD2-CG 3.92Å; W586-M608 HydrophobicContact CD2-SD 4.49Å; W586-M608 HydrophobicContact CE3-CE 4.01Å; W586-M608 HydrophobicContact CE3-CG 3.54Å; W586-M608 HydrophobicContact CG-CE 3.45Å; W586-M608 VanDerWaalsContact CG-CE 3.45Å; W586-M608 HydrophobicContact CH2-CG 3.72Å; W586-M608 HydrophobicContact CZ2-CE 4.31Å; W586-M608 HydrophobicContact CZ2-CG 4.08Å; W586-M608 HydrophobicContact CZ3-CB 4.26Å; W586-M608 HydrophobicContact CZ3-CG 3.42Å; W586-M608 VanDerWaalsContact CZ3-CG 3.42Å; Y596-M608 HydrophobicContact CD1-CE 4.49Å; H605-M608 HydrophobicContact CB-SD 4.5Å; H605-M608 PolarHBondContact O-N 2.79Å; H605-M608 VanDerWaalsContact O-N 3.1Å; A606-M608 VanDerWaalsContact C-N 3.26Å; A606-M608 PolarHBondContact O-N 3.33Å; M608-V616 HydrophobicContact CG-CG1 4.26Å
609	R	96.9	Very high	96.3	Very high	122 Å²	122	59.7 Å²	59.7	46%	0.46	33%	0.326	S	S	.	.			trans	-74.6	139.4	170.9	-68.6	175.9	-175.1	174.9	-0.9	111.1	T552 T554 K588 A606 Q607	T552-R609 CarbonylContact O-C 3.38Å; T552-R609 WeakPolarHBondContact O-CA 3.21Å; T554-R609 VanDerWaalsContact C-NE 3.3Å; T554-R609 VanDerWaalsContact O-CZ 3.26Å; T554-R609 PolarHBondContact O-NE 2.85Å; T554-R609 PolarHBondContact O-NH2 2.8Å; K588-R609 PolarHBondContact NZ-O 3.23Å; A606-R609 VanDerWaalsContact O-CB 3.3Å; A606-R609 WeakPolarHBondContact O-CB 3.5Å; A606-R609 WeakPolarHBondContact O-CG 3.38Å; A606-R609 PolarHBondContact O-N 3.24Å; A606-R609 VanDerWaalsContact O-N 3.14Å; Q607-R609 PolarHBondContact O-N 3.04Å
610	V	94.5	Very high	96.3	Very high	19 Å²	19	57.5 Å²	57.5	12%	0.115	32%	0.315	C	S	.	.			trans	-124.2	147.1	179.8	-60	0	0	0	0	111.6	T552 E614 V616	T552-V610 VanDerWaalsContact CB-CG2 3.43Å; T552-V610 HydrophobicContact CG2-CG2 4.48Å; T552-V610 PolarHBondContact O-N 2.86Å; T552-V610 WeakPolarHBondContact OG1-CG2 3.1Å; V610-E614 HydrophobicContact CB-CB 3.95Å; V610-E614 WeakPolarHBondContact CB-O 3.3Å; V610-E614 HydrophobicContact CG1-CB 4.22Å; V610-V616 HydrophobicContact CG1-CB 4.37Å; V610-V616 HydrophobicContact CG1-CG2 3.61Å
611	S	89.9	Confident	96.3	Very high	79 Å²	79	55.9 Å²	55.9	55%	0.552	31%	0.306	S	S	*	.			trans	-132	154	174.4	64	0	0	0	0	110.7	Q613 E614	S611-Q613 PolarHBondContact O-N 3.44Å; S611-E614 PolarHBondContact N-OE2 2.93Å; S611-E614 VanDerWaalsContact O-CB 3.31Å; S611-E614 WeakPolarHBondContact O-CB 3.45Å; S611-E614 WeakPolarHBondContact O-CG 3.41Å; S611-E614 PolarHBondContact O-N 2.78Å; S611-E614 PolarHBondContact OG-OE2 3.42Å; S611-E614 VanDerWaalsContact OG-OE2 3.08Å
612	G	90.4	Very high	96.3	Very high	58 Å²	58	49.7 Å²	49.7	60%	0.598	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	-120.3	178.8	0	0	0	0	0	113.6	R637	G612-R637 PolarHBondContact O-NE 3.05Å; G612-R637 PolarHBondContact O-NH1 3.46Å; G612-R637 VanDerWaalsContact O-NH1 3.14Å; G612-R637 PolarHBondContact O-NH2 3.3Å
613	Q	90.4	Very high	96.2	Very high	159 Å²	159	45.5 Å²	45.5	74%	0.743	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	4.7	180	-62.8	-60.7	-30.8	0	0	113.5	S611	S611-Q613 PolarHBondContact O-N 3.44Å
614	E	95.3	Very high	96.1	Very high	54 Å²	54	42.3 Å²	42.3	25%	0.252	24%	0.238	S	C	.	.			trans	-65.6	144	-180	-60.8	-177.9	119.3	0	0	111.4	K588 N589 V610 S611 R637	K588-E614 VanDerWaalsContact CE-CD 3.44Å; K588-E614 WeakPolarHBondContact CE-OE1 3.22Å; K588-E614 IonicContact NZ-OE1 2.97Å; K588-E614 PolarHBondContact NZ-OE1 2.86Å; K588-E614 VanDerWaalsContact NZ-OE1 3.11Å; K588-E614 IonicContact NZ-OE2 3.49Å; K588-E614 PolarHBondContact NZ-OE2 2.98Å; K588-E614 VanDerWaalsContact NZ-OE2 3.13Å; N589-E614 WeakPolarHBondContact ND2-CG 3.43Å; N589-E614 WeakPolarHBondContact OD1-CA 3.31Å; N589-E614 WeakPolarHBondContact OD1-CB 3.47Å; V610-E614 HydrophobicContact CB-CB 3.95Å; V610-E614 WeakPolarHBondContact CB-O 3.3Å; V610-E614 HydrophobicContact CG1-CB 4.22Å; S611-E614 PolarHBondContact N-OE2 2.93Å; S611-E614 VanDerWaalsContact O-CB 3.31Å; S611-E614 WeakPolarHBondContact O-CB 3.45Å; S611-E614 WeakPolarHBondContact O-CG 3.41Å; S611-E614 PolarHBondContact O-N 2.78Å; S611-E614 PolarHBondContact OG-OE2 3.42Å; S611-E614 VanDerWaalsContact OG-OE2 3.08Å; E614-R637 WeakPolarHBondContact O-CD 3.39Å; E614-R637 PolarHBondContact O-NH1 3.06Å
615	W	97	Very high	96.2	Very high	16 Å²	16	38.5 Å²	38.5	6%	0.061	22%	0.215	C	C	.	.			trans	-132.9	153.3	176	53.4	-98.6	0	0	0	111.5	M587 K588 N589 L617 N634 R637 L638 Q641 L649	M587-W615 HydrophobicContact CG-CZ3 3.96Å; M587-W615 HydrophobicContact SD-CH2 4.08Å; M587-W615 HydrophobicContact SD-CZ3 3.98Å; K588-W615 WeakPolarHBondContact CA-O 3.42Å; N589-W615 PolarHBondContact N-O 3.12Å; N589-W615 PolarHBondContact OD1-N 2.98Å; N589-W615 PolarHBondContact OD1-O 3.09Å; W615-L617 HydrophobicContact CE3-CB 4.1Å; W615-L617 HydrophobicContact CZ3-CB 3.77Å; W615-N634 WeakPolarHBondContact CA-OD1 3.34Å; W615-R637 HydrophobicContact CB-CB 3.94Å; W615-L638 HydrophobicContact CB-CD2 4.32Å; W615-L638 HydrophobicContact CD2-CD2 4.09Å; W615-L638 HydrophobicContact CE3-CD2 3.75Å; W615-L638 HydrophobicContact CG-CD2 4.36Å; W615-L638 HydrophobicContact CZ3-CD2 4.41Å; W615-Q641 HydrophobicContact CZ2-CG 4.07Å; W615-Q641 VanDerWaalsContact NE1-OE1 3.08Å; W615-L649 HydrophobicContact CH2-CD2 3.43Å; W615-L649 VanDerWaalsContact CH2-CD2 3.43Å; W615-L649 HydrophobicContact CZ2-CD2 4.09Å; W615-L649 HydrophobicContact CZ3-CD2 3.83Å
616	V	98.3	Very high	96.3	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136.4	173.2	165.1	0	0	0	0	109	T552 W586 K588 M608 V610 N634	T552-V616 HydrophobicContact CG2-CB 4.22Å; W586-V616 HydrophobicContact CE3-CG1 4.03Å; W586-V616 HydrophobicContact CE3-CG2 4.42Å; W586-V616 HydrophobicContact CZ3-CG2 4.16Å; K588-V616 HydrophobicContact CB-CG2 4.43Å; K588-V616 HydrophobicContact CG-CG2 4.23Å; M608-V616 HydrophobicContact CG-CG1 4.26Å; V610-V616 HydrophobicContact CG1-CB 4.37Å; V610-V616 HydrophobicContact CG1-CG2 3.61Å; V616-N634 PolarHBondContact N-OD1 2.91Å; V616-N634 PolarHBondContact O-ND2 2.99Å
617	L	98.5	Very high	96.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	123.2	170.1	-179.7	100.4	0	0	0	108.3	W586 M587 W615 T620 Y630 L638 L649 N653 I657	W586-L617 CarbonylContact C-O 3.46Å; W586-L617 WeakPolarHBondContact CA-O 2.86Å; M587-L617 HydrophobicContact CG-CB 3.81Å; M587-L617 HydrophobicContact CG-CD2 4.03Å; M587-L617 PolarHBondContact N-O 3.36Å; M587-L617 PolarHBondContact O-N 2.65Å; M587-L617 HydrophobicContact SD-CB 4.26Å; M587-L617 HydrophobicContact SD-CD2 3.57Å; M587-L617 VanDerWaalsContact SD-CD2 3.57Å; W615-L617 HydrophobicContact CE3-CB 4.1Å; W615-L617 HydrophobicContact CZ3-CB 3.77Å; L617-T620 HydrophobicContact CD2-CG2 4.3Å; L617-Y630 WeakPolarHBondContact CA-OH 3.39Å; L617-L638 HydrophobicContact CB-CD2 4.36Å; L617-L638 HydrophobicContact CD1-CD1 4.37Å; L617-L638 HydrophobicContact CD1-CD2 4.1Å; L617-L649 HydrophobicContact CD2-CD2 4.41Å; L617-N653 HydrophobicContact CD2-CB 3.77Å; L617-I657 HydrophobicContact CD1-CD1 3.8Å; L617-I657 HydrophobicContact CD1-CG1 4.06Å
618	A	98.6	Very high	96.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	160.8	178.8	0	0	0	0	0	111.7	I550 I584 W586 I628 Y630	I550-A618 HydrophobicContact CD1-CB 3.45Å; I550-A618 VanDerWaalsContact CD1-CB 3.45Å; I584-A618 HydrophobicContact CG2-CB 3.96Å; W586-A618 HydrophobicContact CB-CB 4.09Å; A618-I628 HydrophobicContact CB-CD1 3.78Å; A618-I628 HydrophobicContact CB-CG1 4.06Å; A618-I628 HydrophobicContact CB-CG2 4.41Å; A618-Y630 PolarHBondContact N-OH 3.25Å
619	N	98.4	Very high	96.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	60.9	53.1	-168.6	-158.8	9.2	0	0	0	112.2	K585 N621 V622 S623 G624 F626 I628 N653 Q656	K585-N619 VanDerWaalsContact O-CA 3.28Å; K585-N619 WeakPolarHBondContact O-CA 3.16Å; K585-N619 PolarHBondContact O-N 2.78Å; N619-N621 PolarHBondContact O-N 2.87Å; N619-V622 WeakPolarHBondContact O-CA 3.41Å; N619-V622 PolarHBondContact O-N 3.44Å; N619-V622 VanDerWaalsContact OD1-C 3.31Å; N619-V622 WeakPolarHBondContact OD1-CA 3.37Å; N619-S623 PolarHBondContact OD1-N 3.34Å; N619-G624 PolarHBondContact ND2-O 2.85Å; N619-G624 PolarHBondContact OD1-N 2.92Å; N619-F626 HydrophobicContact CB-CE2 3.69Å; N619-F626 HydrophobicContact CB-CZ 3.83Å; N619-F626 PolarHBondContact ND2-O 3.03Å; N619-F626 VanDerWaalsContact ND2-O 3.15Å; N619-I628 HydrophobicContact CB-CD1 4.42Å; N619-I628 HydrophobicContact CB-CG1 3.96Å; N619-N653 PolarHBondContact O-ND2 3.1Å; N619-Q656 PolarHBondContact O-OE1 2.69Å
620	T	97.9	Very high	96.6	Very high	13 Å²	13	24.3 Å²	24.3	8%	0.08	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-55.1	135.4	177.7	52.4	0	0	0	0	110.6	K585 M587 L617 V622 S623 N653	K585-T620 WeakPolarHBondContact CB-OG1 3.24Å; K585-T620 PolarHBondContact O-N 3.11Å; K585-T620 VanDerWaalsContact O-N 3.15Å; M587-T620 HydrophobicContact CB-CG2 4.06Å; M587-T620 HydrophobicContact CG-CG2 3.94Å; M587-T620 HydrophobicContact SD-CG2 4.15Å; L617-T620 HydrophobicContact CD2-CG2 4.3Å; T620-V622 PolarHBondContact O-N 3.04Å; T620-S623 WeakPolarHBondContact O-CB 3.38Å; T620-S623 PolarHBondContact O-N 3.06Å; T620-S623 PolarHBondContact O-OG 3.3Å; T620-N653 WeakPolarHBondContact CA-OD1 3.39Å
621	N	96.5	Very high	96.8	Very high	67 Å²	67	24.6 Å²	24.6	36%	0.358	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	53	22.8	-172.6	-60.5	-28.4	0	0	0	115	R480 N619 S623 S650 M652 N653	R480-N621 PolarHBondContact NH2-O 3.43Å; N619-N621 PolarHBondContact O-N 2.87Å; N621-S623 PolarHBondContact O-N 3.01Å; N621-S623 VanDerWaalsContact O-N 3.17Å; N621-S650 VanDerWaalsContact OD1-CB 3.28Å; N621-S650 WeakPolarHBondContact OD1-CB 3.38Å; N621-S650 PolarHBondContact OD1-OG 3.13Å; N621-M652 HydrophobicContact CB-CE 3.61Å; N621-M652 HydrophobicContact CB-SD 3.93Å; N621-N653 PolarHBondContact N-ND2 3.12Å; N621-N653 PolarHBondContact N-OD1 2.86Å
622	V	97.8	Very high	97.1	Very high	6 Å²	6	23.8 Å²	23.8	4%	0.036	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	49.3	43.5	-176.8	-163.5	0	0	0	0	110.4	I431 V435 R480 N619 T620 G624 M652 Q656	I431-V622 HydrophobicContact CD1-CB 3.76Å; I431-V622 HydrophobicContact CD1-CG1 4.22Å; I431-V622 HydrophobicContact CG1-CB 4.45Å; I431-V622 HydrophobicContact CG2-CB 4.47Å; I431-V622 HydrophobicContact CG2-CG2 4.22Å; V435-V622 HydrophobicContact CG1-CG1 4.15Å; R480-V622 PolarHBondContact NH1-O 3.34Å; N619-V622 WeakPolarHBondContact O-CA 3.41Å; N619-V622 PolarHBondContact O-N 3.44Å; N619-V622 VanDerWaalsContact OD1-C 3.31Å; N619-V622 WeakPolarHBondContact OD1-CA 3.37Å; T620-V622 PolarHBondContact O-N 3.04Å; V622-G624 PolarHBondContact O-N 3.3Å; V622-M652 HydrophobicContact CG2-CB 4.38Å; V622-Q656 HydrophobicContact CG2-CB 3.69Å; V622-Q656 HydrophobicContact CG2-CG 3.89Å
623	S	95.6	Very high	97.4	Very high	7 Å²	7	23.5 Å²	23.5	5%	0.049	13%	0.127	C	C	.	.			trans	-66.2	-22.2	-175.7	44.1	0	0	0	0	113.2	M481 N619 T620 N621	M481-S623 VanDerWaalsContact CA-O 3.3Å; M481-S623 WeakPolarHBondContact CA-O 3.42Å; M481-S623 WeakPolarHBondContact CB-O 3.39Å; N619-S623 PolarHBondContact OD1-N 3.34Å; T620-S623 WeakPolarHBondContact O-CB 3.38Å; T620-S623 PolarHBondContact O-N 3.06Å; T620-S623 PolarHBondContact O-OG 3.3Å; N621-S623 PolarHBondContact O-N 3.01Å; N621-S623 VanDerWaalsContact O-N 3.17Å
624	G	97.6	Very high	97.8	Very high	3 Å²	3	16 Å²	16	3%	0.031	9%	0.092	C	C	.	.	S	Bend	trans	-115.7	154.1	177.2	0	0	0	0	0	114.9	N619 V622 F626	N619-G624 PolarHBondContact ND2-O 2.85Å; N619-G624 PolarHBondContact OD1-N 2.92Å; V622-G624 PolarHBondContact O-N 3.3Å; G624-F626 VanDerWaalsContact C-N 3.28Å; G624-F626 PolarHBondContact O-N 3.2Å
625	Y	98.6	Very high	97.9	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.008	8%	0.081	C	C	.	.	S	Bend	trans	-83.2	63.1	-179.6	-168.9	-112.6	0	0	0	112.3	V435 V438 F439 D442 K474 A477 V478 M481 W539 F545	V435-Y625 HydrophobicContact CG1-CD2 4.46Å; V438-Y625 HydrophobicContact CG1-CE2 3.44Å; V438-Y625 VanDerWaalsContact CG1-CE2 3.44Å; V438-Y625 WeakPolarHBondContact CG1-OH 3.38Å; F439-Y625 HydrophobicContact CD1-CD2 4.15Å; F439-Y625 HydrophobicContact CD1-CE1 4.45Å; F439-Y625 AromaticContact CD1-CE2 3.5Å; F439-Y625 HydrophobicContact CD1-CE2 3.5Å; F439-Y625 AromaticContact CD1-CZ 3.68Å; F439-Y625 HydrophobicContact CE1-CD1 4.32Å; F439-Y625 AromaticContact CE1-CD2 3.45Å; F439-Y625 HydrophobicContact CE1-CD2 3.45Å; F439-Y625 VanDerWaalsContact CE1-CD2 3.45Å; F439-Y625 HydrophobicContact CE1-CE1 4.2Å; F439-Y625 AromaticContact CE1-CE2 3.29Å; F439-Y625 HydrophobicContact CE1-CE2 3.29Å; F439-Y625 AromaticContact CE1-CG 3.98Å; F439-Y625 HydrophobicContact CE1-CG 3.98Å; F439-Y625 AromaticContact CE1-CZ 3.7Å; F439-Y625 HydrophobicContact CG-CE2 4.49Å; F439-Y625 AromaticContact CZ-CD2 3.99Å; F439-Y625 HydrophobicContact CZ-CD2 3.99Å; F439-Y625 HydrophobicContact CZ-CE2 4.14Å; D442-Y625 PolarHBondContact OD2-OH 2.71Å; K474-Y625 HydrophobicContact CD-CE1 3.95Å; K474-Y625 HydrophobicContact CG-CD1 4.47Å; K474-Y625 HydrophobicContact CG-CE1 3.81Å; A477-Y625 HydrophobicContact CB-CD2 3.56Å; A477-Y625 HydrophobicContact CB-CE2 3.92Å; A477-Y625 HydrophobicContact CB-CG 4.39Å; V478-Y625 HydrophobicContact CG2-CD1 4.1Å; V478-Y625 HydrophobicContact CG2-CG 4.25Å; M481-Y625 PolarHBondContact SD-N 3.26Å; W539-Y625 HydrophobicContact CE3-CD1 4.24Å; W539-Y625 HydrophobicContact CZ3-CD1 4.06Å; W539-Y625 WeakPolarHBondContact CZ3-O 3.23Å; F545-Y625 HydrophobicContact CB-CD1 3.8Å; F545-Y625 HydrophobicContact CB-CE1 3.67Å; F545-Y625 AromaticContact CD1-CE1 3.96Å; F545-Y625 HydrophobicContact CD1-CE1 3.96Å; F545-Y625 HydrophobicContact CG-CE1 4.09Å
626	F	98.8	Very high	98	Very high	1 Å²	1	15.7 Å²	15.7	0%	0.004	9%	0.093	C	C	.	.	S	Bend	trans	-154.3	161.1	178.1	57.8	-89.1	0	0	0	111.4	P546 V548 V582 P583 I584 N619 G624 I628	P546-F626 HydrophobicContact CG-CB 3.84Å; P546-F626 WeakPolarHBondContact O-CA 3.49Å; P546-F626 VanDerWaalsContact O-CB 3.28Å; P546-F626 WeakPolarHBondContact O-CB 3.48Å; V548-F626 HydrophobicContact CB-CD2 4.31Å; V548-F626 HydrophobicContact CG2-CD2 3.78Å; V548-F626 HydrophobicContact CG2-CE2 4.26Å; V548-F626 HydrophobicContact CG2-CG 4.34Å; V582-F626 HydrophobicContact CG1-CD1 3.31Å; V582-F626 HydrophobicContact CG1-CD2 4.14Å; V582-F626 HydrophobicContact CG1-CE1 3.3Å; V582-F626 HydrophobicContact CG1-CE2 4.13Å; V582-F626 HydrophobicContact CG1-CG 3.74Å; V582-F626 HydrophobicContact CG1-CZ 3.76Å; P583-F626 WeakPolarHBondContact O-CE1 3.41Å; I584-F626 HydrophobicContact CG1-CE2 4.43Å; I584-F626 HydrophobicContact CG1-CZ 4.1Å; N619-F626 HydrophobicContact CB-CE2 3.69Å; N619-F626 HydrophobicContact CB-CZ 3.83Å; N619-F626 PolarHBondContact ND2-O 3.03Å; N619-F626 VanDerWaalsContact ND2-O 3.15Å; G624-F626 VanDerWaalsContact C-N 3.28Å; G624-F626 PolarHBondContact O-N 3.2Å; F626-I628 HydrophobicContact CD2-CD1 3.73Å; F626-I628 HydrophobicContact CD2-CG1 4.37Å; F626-I628 HydrophobicContact CE2-CD1 3.39Å; F626-I628 HydrophobicContact CE2-CG1 4.13Å
627	R	98.7	Very high	98	Very high	1 Å²	1	17.6 Å²	17.6	0%	0.004	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	152	175.3	-64.7	-172	173.4	-76.6	4.1	111.2	F439 F545 P546 V547 V548 D659 D660 N663	F439-R627 VanDerWaalsContact CB-NH2 3.31Å; F439-R627 HydrophobicContact CD2-CG 4.48Å; F439-R627 HydrophobicContact CE2-CG 4.26Å; F439-R627 HydrophobicContact CZ-CG 4.47Å; F545-R627 HydrophobicContact CD2-CG 4.45Å; F545-R627 HydrophobicContact CE2-CG 3.75Å; P546-R627 PolarHBondContact O-N 2.8Å; P546-R627 VanDerWaalsContact O-N 3.17Å; V547-R627 CarbonylContact C-O 3.59Å; V547-R627 WeakPolarHBondContact CA-O 3.41Å; V547-R627 HydrophobicContact CB-CB 4.41Å; V547-R627 HydrophobicContact CG2-CB 4.38Å; V548-R627 PolarHBondContact N-O 3.38Å; R627-D659 IonicContact CZ-OD2 2.98Å; R627-D659 VanDerWaalsContact CZ-OD2 3.24Å; R627-D659 IonicContact NH1-OD2 3.69Å; R627-D659 PolarHBondContact NH1-OD2 2.99Å; R627-D659 IonicContact NH2-OD2 2.7Å; R627-D659 PolarHBondContact NH2-OD2 2.86Å; R627-D660 WeakPolarHBondContact CB-OD1 3.3Å; R627-D660 VanDerWaalsContact CG-OD1 3.24Å; R627-D660 WeakPolarHBondContact CG-OD1 3.39Å; R627-D660 IonicContact CZ-OD1 3.02Å; R627-D660 IonicContact NH1-OD1 2.71Å; R627-D660 PolarHBondContact NH1-OD1 3.33Å; R627-N663 PolarHBondContact NH2-ND2 2.66Å; R627-N663 VanDerWaalsContact NH2-ND2 3.16Å
628	I	98.5	Very high	97.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.1	175.2	-59.9	-65.3	0	0	0	111.4	V548 A618 N619 F626 Y630 D660 L664	V548-I628 HydrophobicContact CB-CD1 3.81Å; V548-I628 HydrophobicContact CG1-CD1 4.2Å; V548-I628 CarbonylContact O-C 3.57Å; V548-I628 WeakPolarHBondContact O-CA 3.42Å; A618-I628 HydrophobicContact CB-CD1 3.78Å; A618-I628 HydrophobicContact CB-CG1 4.06Å; A618-I628 HydrophobicContact CB-CG2 4.41Å; N619-I628 HydrophobicContact CB-CD1 4.42Å; N619-I628 HydrophobicContact CB-CG1 3.96Å; F626-I628 HydrophobicContact CD2-CD1 3.73Å; F626-I628 HydrophobicContact CD2-CG1 4.37Å; F626-I628 HydrophobicContact CE2-CD1 3.39Å; F626-I628 HydrophobicContact CE2-CG1 4.13Å; I628-Y630 HydrophobicContact CB-CE2 4.34Å; I628-Y630 HydrophobicContact CG2-CD1 4Å; I628-Y630 HydrophobicContact CG2-CD2 4.06Å; I628-Y630 HydrophobicContact CG2-CE1 3.43Å; I628-Y630 VanDerWaalsContact CG2-CE1 3.43Å; I628-Y630 HydrophobicContact CG2-CE2 3.49Å; I628-Y630 VanDerWaalsContact CG2-CE2 3.49Å; I628-Y630 HydrophobicContact CG2-CG 4.3Å; I628-Y630 VanDerWaalsContact CG2-OH 3.31Å; I628-Y630 WeakPolarHBondContact CG2-OH 3.47Å; I628-D660 PolarHBondContact N-OD2 2.9Å; I628-L664 WeakPolarHBondContact O-CD1 3.18Å
629	N	98.8	Very high	97.9	Very high	16 Å²	16	18.4 Å²	18.4	9%	0.086	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	150.4	162.4	-171.9	29.3	0	0	0	110.9	V547 V548 T549 I550 W635 L664 I670	V547-N629 HydrophobicContact CG2-CB 4.11Å; V548-N629 PolarHBondContact O-N 3.05Å; T549-N629 CarbonylContact C-O 3.59Å; T549-N629 VanDerWaalsContact CA-O 3.31Å; T549-N629 WeakPolarHBondContact CA-O 3.17Å; T549-N629 HydrophobicContact CG2-CB 4.27Å; I550-N629 PolarHBondContact N-O 3.05Å; N629-W635 PolarHBondContact OD1-NE1 2.86Å; N629-L664 HydrophobicContact CB-CD1 3.83Å; N629-L664 HydrophobicContact CB-CD2 3.95Å; N629-I670 WeakPolarHBondContact OD1-CG2 3.48Å
630	Y	98.8	Very high	97.8	Very high	10 Å²	10	21.5 Å²	21.5	4%	0.039	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	166.6	176	-51.3	-82.6	0	0	0	111.6	I550 L617 A618 I628 N634 W635 L638	I550-Y630 HydrophobicContact CB-CD1 4.18Å; I550-Y630 HydrophobicContact CD1-CE1 4.24Å; I550-Y630 WeakPolarHBondContact O-CA 3.27Å; L617-Y630 WeakPolarHBondContact CA-OH 3.39Å; A618-Y630 PolarHBondContact N-OH 3.25Å; I628-Y630 HydrophobicContact CB-CE2 4.34Å; I628-Y630 HydrophobicContact CG2-CD1 4Å; I628-Y630 HydrophobicContact CG2-CD2 4.06Å; I628-Y630 HydrophobicContact CG2-CE1 3.43Å; I628-Y630 VanDerWaalsContact CG2-CE1 3.43Å; I628-Y630 HydrophobicContact CG2-CE2 3.49Å; I628-Y630 VanDerWaalsContact CG2-CE2 3.49Å; I628-Y630 HydrophobicContact CG2-CG 4.3Å; I628-Y630 VanDerWaalsContact CG2-OH 3.31Å; I628-Y630 WeakPolarHBondContact CG2-OH 3.47Å; Y630-N634 WeakPolarHBondContact CD1-ND2 3.43Å; Y630-N634 VanDerWaalsContact CG-ND2 3.32Å; Y630-W635 HydrophobicContact CD2-CD2 4.1Å; Y630-W635 AromaticContact CD2-CE2 3.85Å; Y630-W635 HydrophobicContact CD2-CE3 4.32Å; Y630-W635 HydrophobicContact CD2-CH2 4.1Å; Y630-W635 AromaticContact CD2-CZ2 3.86Å; Y630-W635 HydrophobicContact CD2-CZ2 3.86Å; Y630-W635 HydrophobicContact CD2-CZ3 4.31Å; Y630-W635 HydrophobicContact CE2-CH2 4.33Å; Y630-W635 HydrophobicContact CE2-CZ2 4.47Å; Y630-W635 VanDerWaalsContact O-CD1 3.28Å; Y630-W635 PolarHBondContact O-NE1 2.93Å; Y630-L638 HydrophobicContact CD2-CD1 3.93Å; Y630-L638 HydrophobicContact CE2-CD1 3.62Å
631	D	98.2	Very high	97.8	Very high	24 Å²	24	22.6 Å²	22.6	13%	0.128	13%	0.131	C	C	.	.			trans	-65	157.9	162	65.8	97.7	0	0	0	111.6	I550 T552 D633 N634 W635	I550-D631 PolarHBondContact O-N 2.83Å; T552-D631 WeakPolarHBondContact CB-OD2 3.27Å; T552-D631 PolarHBondContact N-OD2 3.13Å; T552-D631 PolarHBondContact OG1-OD1 3.05Å; T552-D631 PolarHBondContact OG1-OD2 3.2Å; D631-D633 VanDerWaalsContact C-N 3.28Å; D631-D633 PolarHBondContact O-N 2.82Å; D631-D633 PolarHBondContact OD1-N 3.12Å; D631-N634 PolarHBondContact O-N 3.11Å; D631-W635 PolarHBondContact O-N 3.39Å; D631-W635 VanDerWaalsContact O-N 3.15Å
632	A	97.2	Very high	97.8	Very high	62 Å²	62	19.4 Å²	19.4	51%	0.512	11%	0.114	S	C	.	.	H	α-helix	trans	-57.4	-37.1	-172	0	0	0	0	0	113.4	N634 W635 D636	A632-N634 PolarHBondContact O-N 2.83Å; A632-W635 WeakPolarHBondContact O-CB 3.4Å; A632-W635 PolarHBondContact O-N 3.27Å; A632-D636 PolarHBondContact O-N 2.87Å
633	D	96.6	Very high	97.7	Very high	53 Å²	53	22.8 Å²	22.8	28%	0.283	13%	0.132	S	C	.	.	H	α-helix	trans	-66.8	-40.4	-178.3	-57	-18.2	0	0	0	111.1	R553 D631 D636 R637	R553-D633 IonicContact CZ-OD2 2.91Å; R553-D633 IonicContact NE-OD2 2.7Å; R553-D633 PolarHBondContact NE-OD2 3.35Å; R553-D633 IonicContact NH2-OD1 3.2Å; R553-D633 PolarHBondContact NH2-OD1 2.58Å; R553-D633 IonicContact NH2-OD2 3.61Å; R553-D633 PolarHBondContact NH2-OD2 3.28Å; D631-D633 VanDerWaalsContact C-N 3.28Å; D631-D633 PolarHBondContact O-N 2.82Å; D631-D633 PolarHBondContact OD1-N 3.12Å; D633-D636 PolarHBondContact O-N 3.22Å; D633-R637 VanDerWaalsContact O-CG 3.28Å; D633-R637 WeakPolarHBondContact O-CG 3.47Å; D633-R637 PolarHBondContact O-N 3.02Å
634	N	98.3	Very high	97.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-70.9	-35.1	178	-168.7	77	0	0	0	111.5	T552 W615 V616 Y630 D631 A632 D636 R637 L638	T552-N634 HydrophobicContact CG2-CB 3.83Å; W615-N634 WeakPolarHBondContact CA-OD1 3.34Å; V616-N634 PolarHBondContact N-OD1 2.91Å; V616-N634 PolarHBondContact O-ND2 2.99Å; Y630-N634 WeakPolarHBondContact CD1-ND2 3.43Å; Y630-N634 VanDerWaalsContact CG-ND2 3.32Å; D631-N634 PolarHBondContact O-N 3.11Å; A632-N634 PolarHBondContact O-N 2.83Å; N634-D636 VanDerWaalsContact C-N 3.34Å; N634-D636 PolarHBondContact O-N 2.92Å; N634-R637 PolarHBondContact O-N 3.19Å; N634-L638 WeakPolarHBondContact O-CG 3.45Å; N634-L638 PolarHBondContact O-N 3.03Å
635	W	98.4	Very high	97.5	Very high	4 Å²	4	30 Å²	30	2%	0.015	18%	0.177	C	C	.	.	H	α-helix	trans	-56.4	-47.9	168.8	-83.5	119.9	0	0	0	111.6	N629 Y630 D631 A632 R637 L638 L639 I657 A661 L664 L674	N629-W635 PolarHBondContact OD1-NE1 2.86Å; Y630-W635 HydrophobicContact CD2-CD2 4.1Å; Y630-W635 AromaticContact CD2-CE2 3.85Å; Y630-W635 HydrophobicContact CD2-CE3 4.32Å; Y630-W635 HydrophobicContact CD2-CH2 4.1Å; Y630-W635 AromaticContact CD2-CZ2 3.86Å; Y630-W635 HydrophobicContact CD2-CZ2 3.86Å; Y630-W635 HydrophobicContact CD2-CZ3 4.31Å; Y630-W635 HydrophobicContact CE2-CH2 4.33Å; Y630-W635 HydrophobicContact CE2-CZ2 4.47Å; Y630-W635 VanDerWaalsContact O-CD1 3.28Å; Y630-W635 PolarHBondContact O-NE1 2.93Å; D631-W635 PolarHBondContact O-N 3.39Å; D631-W635 VanDerWaalsContact O-N 3.15Å; A632-W635 WeakPolarHBondContact O-CB 3.4Å; A632-W635 PolarHBondContact O-N 3.27Å; W635-R637 VanDerWaalsContact C-N 3.32Å; W635-R637 PolarHBondContact O-N 2.94Å; W635-L638 PolarHBondContact O-N 3.4Å; W635-L639 VanDerWaalsContact O-CG 3.29Å; W635-L639 WeakPolarHBondContact O-CG 3.43Å; W635-L639 PolarHBondContact O-N 3.5Å; W635-I657 HydrophobicContact CZ3-CG2 4.16Å; W635-A661 HydrophobicContact CH2-CB 4.25Å; W635-A661 HydrophobicContact CZ3-CB 4.41Å; W635-L664 HydrophobicContact CH2-CD1 4.33Å; W635-L664 HydrophobicContact CZ2-CD1 3.65Å; W635-L674 HydrophobicContact CB-CD1 4.1Å; W635-L674 HydrophobicContact CD2-CD2 4.1Å; W635-L674 HydrophobicContact CE3-CD2 4.24Å; W635-L674 HydrophobicContact CG-CD1 4.04Å; W635-L674 HydrophobicContact CG-CD2 4.26Å
636	D	97.9	Very high	97.4	Very high	61 Å²	61	31 Å²	31	33%	0.326	18%	0.182	S	C	.	.	H	α-helix	trans	-63.9	-35.8	179.2	-76.9	-33.9	0	0	0	112.9	A632 D633 N634 L639 S640 R677	A632-D636 PolarHBondContact O-N 2.87Å; D633-D636 PolarHBondContact O-N 3.22Å; N634-D636 VanDerWaalsContact C-N 3.34Å; N634-D636 PolarHBondContact O-N 2.92Å; D636-L639 PolarHBondContact O-N 2.81Å; D636-S640 WeakPolarHBondContact O-CB 3.27Å; D636-S640 PolarHBondContact O-N 3.14Å; D636-S640 PolarHBondContact O-OG 2.7Å; D636-R677 IonicContact OD1-CZ 3.03Å; D636-R677 VanDerWaalsContact OD1-CZ 3.25Å; D636-R677 IonicContact OD1-NH1 3.27Å; D636-R677 PolarHBondContact OD1-NH1 2.93Å; D636-R677 IonicContact OD1-NH2 3.4Å; D636-R677 PolarHBondContact OD1-NH2 3.45Å
637	R	97.4	Very high	97.2	Very high	40 Å²	40	38.4 Å²	38.4	15%	0.151	22%	0.217	C	C	.	.	H	α-helix	trans	-67.7	-42.6	174.5	-66.6	171.9	-153.8	-168.3	2.5	112.2	G612 E614 W615 D633 N634 W635 S640 Q641	G612-R637 PolarHBondContact O-NE 3.05Å; G612-R637 PolarHBondContact O-NH1 3.46Å; G612-R637 VanDerWaalsContact O-NH1 3.14Å; G612-R637 PolarHBondContact O-NH2 3.3Å; E614-R637 WeakPolarHBondContact O-CD 3.39Å; E614-R637 PolarHBondContact O-NH1 3.06Å; W615-R637 HydrophobicContact CB-CB 3.94Å; D633-R637 VanDerWaalsContact O-CG 3.28Å; D633-R637 WeakPolarHBondContact O-CG 3.47Å; D633-R637 PolarHBondContact O-N 3.02Å; N634-R637 PolarHBondContact O-N 3.19Å; W635-R637 VanDerWaalsContact C-N 3.32Å; W635-R637 PolarHBondContact O-N 2.94Å; R637-S640 PolarHBondContact O-N 3.17Å; R637-Q641 PolarHBondContact O-N 3.47Å
638	L	98.1	Very high	97	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-39.8	174.7	-70.3	176	0	0	0	111.8	W615 L617 Y630 N634 W635 S640 Q641 L642	W615-L638 HydrophobicContact CB-CD2 4.32Å; W615-L638 HydrophobicContact CD2-CD2 4.09Å; W615-L638 HydrophobicContact CE3-CD2 3.75Å; W615-L638 HydrophobicContact CG-CD2 4.36Å; W615-L638 HydrophobicContact CZ3-CD2 4.41Å; L617-L638 HydrophobicContact CB-CD2 4.36Å; L617-L638 HydrophobicContact CD1-CD1 4.37Å; L617-L638 HydrophobicContact CD1-CD2 4.1Å; Y630-L638 HydrophobicContact CD2-CD1 3.93Å; Y630-L638 HydrophobicContact CE2-CD1 3.62Å; N634-L638 WeakPolarHBondContact O-CG 3.45Å; N634-L638 PolarHBondContact O-N 3.03Å; W635-L638 PolarHBondContact O-N 3.4Å; L638-S640 VanDerWaalsContact C-N 3.33Å; L638-S640 PolarHBondContact O-N 2.74Å; L638-Q641 WeakPolarHBondContact O-CB 3.29Å; L638-Q641 PolarHBondContact O-N 3.33Å; L638-L642 WeakPolarHBondContact O-CG 3.43Å; L638-L642 PolarHBondContact O-N 3.31Å
639	L	97.8	Very high	96.9	Very high	16 Å²	16	40.8 Å²	40.8	8%	0.084	24%	0.236	C	C	.	.	H	α-helix	trans	-62.6	-40.5	174.3	-72.3	173.4	0	0	0	111.8	W635 D636 L642 D643 R677 T678	W635-L639 VanDerWaalsContact O-CG 3.29Å; W635-L639 WeakPolarHBondContact O-CG 3.43Å; W635-L639 PolarHBondContact O-N 3.5Å; D636-L639 PolarHBondContact O-N 2.81Å; L639-L642 PolarHBondContact O-N 2.82Å; L639-D643 PolarHBondContact O-N 2.62Å; L639-R677 HydrophobicContact CD1-CB 3.99Å; L639-R677 HydrophobicContact CD2-CB 4.4Å; L639-T678 HydrophobicContact CD2-CG2 3.85Å
640	S	96.9	Very high	96.8	Very high	66 Å²	66	41.9 Å²	41.9	46%	0.462	25%	0.245	S	C	.	.	H	α-helix	trans	-66.2	-38.1	174.5	-65.8	0	0	0	0	111.8	D636 R637 L638 D643 T644	D636-S640 WeakPolarHBondContact O-CB 3.27Å; D636-S640 PolarHBondContact O-N 3.14Å; D636-S640 PolarHBondContact O-OG 2.7Å; R637-S640 PolarHBondContact O-N 3.17Å; L638-S640 VanDerWaalsContact C-N 3.33Å; L638-S640 PolarHBondContact O-N 2.74Å; S640-D643 PolarHBondContact O-N 2.96Å; S640-T644 WeakPolarHBondContact O-CB 3.41Å; S640-T644 WeakPolarHBondContact O-CG2 3.4Å; S640-T644 PolarHBondContact O-N 2.93Å; S640-T644 PolarHBondContact O-OG1 3.29Å
641	Q	96.7	Very high	96.7	Very high	35 Å²	35	43.3 Å²	43.3	16%	0.164	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-43.3	174.1	-173.6	63	54.6	0	0	111.6	W615 R637 L638 D643 S645 H646 L649	W615-Q641 HydrophobicContact CZ2-CG 4.07Å; W615-Q641 VanDerWaalsContact NE1-OE1 3.08Å; R637-Q641 PolarHBondContact O-N 3.47Å; L638-Q641 WeakPolarHBondContact O-CB 3.29Å; L638-Q641 PolarHBondContact O-N 3.33Å; Q641-D643 VanDerWaalsContact C-N 3.34Å; Q641-D643 PolarHBondContact O-N 3.15Å; Q641-S645 PolarHBondContact NE2-O 3.38Å; Q641-S645 CarbonylContact O-C 3.56Å; Q641-S645 WeakPolarHBondContact O-CA 3.07Å; Q641-S645 PolarHBondContact O-N 2.94Å; Q641-H646 PolarHBondContact O-N 3.25Å; Q641-L649 HydrophobicContact CG-CD1 4.28Å; Q641-L649 HydrophobicContact CG-CD2 4.44Å; Q641-L649 HydrophobicContact CG-CG 4.24Å
642	L	97.2	Very high	96.7	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-41.4	174.3	-74.1	173.6	0	0	0	112	L638 L639 H646 L649 R654 I657 Y681	L638-L642 WeakPolarHBondContact O-CG 3.43Å; L638-L642 PolarHBondContact O-N 3.31Å; L639-L642 PolarHBondContact O-N 2.82Å; L642-H646 HydrophobicContact CD2-CB 4.15Å; L642-H646 VanDerWaalsContact O-CB 3.3Å; L642-H646 WeakPolarHBondContact O-CB 3.28Å; L642-L649 HydrophobicContact CD2-CD1 3.9Å; L642-L649 HydrophobicContact CG-CD1 4.31Å; L642-R654 HydrophobicContact CD2-CB 4.32Å; L642-R654 HydrophobicContact CD2-CG 3.89Å; L642-I657 HydrophobicContact CD1-CD1 4.32Å; L642-I657 HydrophobicContact CD1-CG2 3.73Å; L642-I657 HydrophobicContact CD2-CD1 4.49Å; L642-Y681 HydrophobicContact CB-CD1 3.93Å; L642-Y681 HydrophobicContact CB-CD2 4.44Å; L642-Y681 HydrophobicContact CB-CE1 4.4Å; L642-Y681 HydrophobicContact CB-CG 3.97Å; L642-Y681 HydrophobicContact CD1-CD1 4.08Å; L642-Y681 HydrophobicContact CD1-CE1 3.99Å; L642-Y681 HydrophobicContact CD2-CD1 4.39Å; L642-Y681 HydrophobicContact CD2-CE1 4.01Å; L642-Y681 HydrophobicContact CD2-CE2 4.29Å; L642-Y681 HydrophobicContact CG-CD1 4.37Å; L642-Y681 HydrophobicContact CG-CE1 4.38Å
643	D	95.6	Very high	96.8	Very high	77 Å²	77	40.1 Å²	40.1	41%	0.412	23%	0.228	S	C	.	.	H	α-helix	trans	-73.3	-37	-178.5	-170.6	56.4	0	0	0	113.3	L639 S640 Q641 K684	L639-D643 PolarHBondContact O-N 2.62Å; S640-D643 PolarHBondContact O-N 2.96Å; Q641-D643 VanDerWaalsContact C-N 3.34Å; Q641-D643 PolarHBondContact O-N 3.15Å; D643-K684 VanDerWaalsContact CG-NZ 3.32Å; D643-K684 PolarHBondContact O-NZ 3.1Å; D643-K684 IonicContact OD1-NZ 3.61Å; D643-K684 PolarHBondContact OD1-NZ 3.49Å; D643-K684 IonicContact OD2-NZ 3.62Å
644	T	94.5	Very high	96.8	Very high	106 Å²	106	37.8 Å²	37.8	65%	0.65	22%	0.216	S	C	*	.	H	α-helix	trans	-90.6	-40.7	-173.6	56.2	0	0	0	0	113.7	S640	S640-T644 WeakPolarHBondContact O-CB 3.41Å; S640-T644 WeakPolarHBondContact O-CG2 3.4Å; S640-T644 PolarHBondContact O-N 2.93Å; S640-T644 PolarHBondContact O-OG1 3.29Å
645	S	94.9	Very high	96.8	Very high	56 Å²	56	37.8 Å²	37.8	39%	0.392	22%	0.216	S	C	.	.	H	α-helix	trans	-156.7	68.9	-178.4	-175.6	0	0	0	0	110.6	Q641 Q647 A648	Q641-S645 PolarHBondContact NE2-O 3.38Å; Q641-S645 CarbonylContact O-C 3.56Å; Q641-S645 WeakPolarHBondContact O-CA 3.07Å; Q641-S645 PolarHBondContact O-N 2.94Å; S645-Q647 PolarHBondContact O-N 3.27Å; S645-A648 WeakPolarHBondContact O-CB 3.32Å; S645-A648 PolarHBondContact O-N 3.09Å; S645-A648 VanDerWaalsContact O-N 3.16Å
646	H	96.4	Very high	96.9	Very high	23 Å²	23	38 Å²	38	11%	0.106	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-58.6	-31.6	179.3	60.4	98.3	0	0	0	112.8	Q641 L642 A648 L649 R654 Y681 E685	Q641-H646 PolarHBondContact O-N 3.25Å; L642-H646 HydrophobicContact CD2-CB 4.15Å; L642-H646 VanDerWaalsContact O-CB 3.3Å; L642-H646 WeakPolarHBondContact O-CB 3.28Å; H646-A648 PolarHBondContact O-N 3.18Å; H646-A648 VanDerWaalsContact O-N 3.11Å; H646-L649 PolarHBondContact O-N 2.84Å; H646-R654 WeakPolarHBondContact O-CD 3.37Å; H646-Y681 HydrophobicContact CB-CD2 4Å; H646-Y681 HydrophobicContact CB-CE2 3.94Å; H646-E685 IonicContact ND1-OE2 3.19Å
647	Q	95.4	Very high	96.9	Very high	156 Å²	156	35.3 Å²	35.3	73%	0.729	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-64.6	-13.9	-180	-65.5	-175.5	-40.6	0	0	114	S645 L649	S645-Q647 PolarHBondContact O-N 3.27Å; Q647-L649 PolarHBondContact O-N 2.63Å
648	A	93.1	Very high	97	Very high	48 Å²	48	33.4 Å²	33.4	40%	0.397	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-68.8	-15	169.9	0	0	0	0	0	113.1	S645 H646	S645-A648 WeakPolarHBondContact O-CB 3.32Å; S645-A648 PolarHBondContact O-N 3.09Å; S645-A648 VanDerWaalsContact O-N 3.16Å; H646-A648 PolarHBondContact O-N 3.18Å; H646-A648 VanDerWaalsContact O-N 3.11Å
649	L	96.6	Very high	97	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	20%	0.197	C	C	.	.	S	Bend	trans	-106.1	139.1	175.2	-55.5	178.8	0	0	0	109.4	W615 L617 Q641 L642 H646 Q647 R654 I657	W615-L649 HydrophobicContact CH2-CD2 3.43Å; W615-L649 VanDerWaalsContact CH2-CD2 3.43Å; W615-L649 HydrophobicContact CZ2-CD2 4.09Å; W615-L649 HydrophobicContact CZ3-CD2 3.83Å; L617-L649 HydrophobicContact CD2-CD2 4.41Å; Q641-L649 HydrophobicContact CG-CD1 4.28Å; Q641-L649 HydrophobicContact CG-CD2 4.44Å; Q641-L649 HydrophobicContact CG-CG 4.24Å; L642-L649 HydrophobicContact CD2-CD1 3.9Å; L642-L649 HydrophobicContact CG-CD1 4.31Å; H646-L649 PolarHBondContact O-N 2.84Å; Q647-L649 PolarHBondContact O-N 2.63Å; L649-R654 HydrophobicContact CB-CG 3.81Å; L649-R654 PolarHBondContact O-NH1 3.03Å; L649-I657 HydrophobicContact CD1-CD1 3.71Å
650	S	96.8	Very high	97	Very high	39 Å²	39	33.1 Å²	33.1	27%	0.273	19%	0.194	S	C	.	.			trans	-59.9	152.4	177.1	82	0	0	0	0	111.5	N621 M652 N653 R654	N621-S650 VanDerWaalsContact OD1-CB 3.28Å; N621-S650 WeakPolarHBondContact OD1-CB 3.38Å; N621-S650 PolarHBondContact OD1-OG 3.13Å; S650-M652 PolarHBondContact O-N 3.35Å; S650-N653 PolarHBondContact O-N 3.36Å; S650-N653 PolarHBondContact OG-N 3.03Å; S650-N653 PolarHBondContact OG-OD1 3.16Å; S650-R654 WeakPolarHBondContact O-CG 3.19Å; S650-R654 PolarHBondContact O-N 3.39Å
651	V	97.4	Very high	97.1	Very high	40 Å²	40	30 Å²	30	24%	0.242	17%	0.172	C	C	.	.	H	α-helix	trans	-52.4	-43.3	179.3	179.3	0	0	0	0	111.3	R654 A655 D687 I689 P690	V651-R654 PolarHBondContact O-N 2.99Å; V651-A655 PolarHBondContact O-N 3.38Å; V651-D687 HydrophobicContact CG1-CB 3.98Å; V651-D687 HydrophobicContact CG2-CB 4.31Å; V651-I689 HydrophobicContact CG1-CB 3.79Å; V651-I689 HydrophobicContact CG1-CD1 4.19Å; V651-I689 HydrophobicContact CG1-CG1 4.39Å; V651-I689 HydrophobicContact CG1-CG2 4.42Å; V651-P690 HydrophobicContact CG1-CG 4.08Å
652	M	97.4	Very high	97.2	Very high	16 Å²	16	28.4 Å²	28.4	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-64.4	-42.4	177.1	-69.6	176.2	-90	0	0	112.7	D428 I431 N621 V622 S650 A655 Q656	D428-M652 HydrophobicContact CB-CG 4.48Å; D428-M652 HydrophobicContact CB-SD 4.48Å; I431-M652 HydrophobicContact CD1-SD 4.46Å; I431-M652 HydrophobicContact CG1-CG 3.91Å; I431-M652 HydrophobicContact CG1-SD 3.86Å; N621-M652 HydrophobicContact CB-CE 3.61Å; N621-M652 HydrophobicContact CB-SD 3.93Å; V622-M652 HydrophobicContact CG2-CB 4.38Å; S650-M652 PolarHBondContact O-N 3.35Å; M652-A655 PolarHBondContact O-N 3.2Å; M652-Q656 WeakPolarHBondContact O-CB 3.46Å; M652-Q656 PolarHBondContact O-N 2.89Å
653	N	98.3	Very high	97.2	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-72.4	-30.6	-179.4	-73.6	122.2	0	0	0	113.1	L617 N619 T620 N621 S650 Q656 I657	L617-N653 HydrophobicContact CD2-CB 3.77Å; N619-N653 PolarHBondContact O-ND2 3.1Å; T620-N653 WeakPolarHBondContact CA-OD1 3.39Å; N621-N653 PolarHBondContact N-ND2 3.12Å; N621-N653 PolarHBondContact N-OD1 2.86Å; S650-N653 PolarHBondContact O-N 3.36Å; S650-N653 PolarHBondContact OG-N 3.03Å; S650-N653 PolarHBondContact OG-OD1 3.16Å; N653-Q656 PolarHBondContact ND2-OE1 2.68Å; N653-Q656 WeakPolarHBondContact O-CB 3.41Å; N653-Q656 PolarHBondContact O-N 2.87Å; N653-I657 WeakPolarHBondContact O-CG1 3.38Å; N653-I657 PolarHBondContact O-N 2.78Å
654	R	98.6	Very high	97.3	Very high	5 Å²	5	25 Å²	25	2%	0.019	15%	0.146	C	C	.	.	H	α-helix	trans	-63	-43.7	170.3	-61.9	-161.7	-55.7	-87.4	8	111.5	L642 H646 L649 S650 V651 Q656 I657 I658 E685 D687 P690	L642-R654 HydrophobicContact CD2-CB 4.32Å; L642-R654 HydrophobicContact CD2-CG 3.89Å; H646-R654 WeakPolarHBondContact O-CD 3.37Å; L649-R654 HydrophobicContact CB-CG 3.81Å; L649-R654 PolarHBondContact O-NH1 3.03Å; S650-R654 WeakPolarHBondContact O-CG 3.19Å; S650-R654 PolarHBondContact O-N 3.39Å; V651-R654 PolarHBondContact O-N 2.99Å; R654-Q656 VanDerWaalsContact C-N 3.34Å; R654-I657 PolarHBondContact O-N 3.07Å; R654-I658 WeakPolarHBondContact O-CG1 3.37Å; R654-I658 PolarHBondContact O-N 3.3Å; R654-E685 IonicContact CZ-OE1 3.55Å; R654-E685 IonicContact CZ-OE2 3.99Å; R654-E685 IonicContact NE-OE1 3.69Å; R654-E685 IonicContact NE-OE2 2.68Å; R654-E685 PolarHBondContact NE-OE2 3.46Å; R654-E685 IonicContact NH2-OE1 3.75Å; R654-E685 PolarHBondContact NH2-OE1 2.98Å; R654-E685 IonicContact NH2-OE2 2.69Å; R654-E685 PolarHBondContact NH2-OE2 3.48Å; R654-D687 IonicContact CZ-OD2 2.6Å; R654-D687 IonicContact NH2-OD2 2.85Å; R654-D687 PolarHBondContact NH2-OD2 3.14Å; R654-P690 HydrophobicContact CB-CB 4.19Å; R654-P690 HydrophobicContact CB-CG 3.87Å
655	A	98.4	Very high	97.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-64.3	-37.5	173.4	0	0	0	0	0	113.2	V651 M652 D659 I689 S693	V651-A655 PolarHBondContact O-N 3.38Å; M652-A655 PolarHBondContact O-N 3.2Å; A655-D659 WeakPolarHBondContact O-CB 3.49Å; A655-D659 PolarHBondContact O-N 3.05Å; A655-I689 HydrophobicContact CB-CG2 3.59Å; A655-S693 PolarHBondContact O-OG 2.78Å
656	Q	98.5	Very high	97.3	Very high	8 Å²	8	20.6 Å²	20.6	4%	0.037	11%	0.11	C	C	.	.	H	α-helix	trans	-63.1	-47.2	175.7	-172.3	-156.4	-5.4	0	0	111.8	N619 V622 M652 N653 R654 I658 D659 D660	N619-Q656 PolarHBondContact O-OE1 2.69Å; V622-Q656 HydrophobicContact CG2-CB 3.69Å; V622-Q656 HydrophobicContact CG2-CG 3.89Å; M652-Q656 WeakPolarHBondContact O-CB 3.46Å; M652-Q656 PolarHBondContact O-N 2.89Å; N653-Q656 PolarHBondContact ND2-OE1 2.68Å; N653-Q656 WeakPolarHBondContact O-CB 3.41Å; N653-Q656 PolarHBondContact O-N 2.87Å; R654-Q656 VanDerWaalsContact C-N 3.34Å; Q656-I658 PolarHBondContact O-N 3.29Å; Q656-D659 PolarHBondContact O-N 3.04Å; Q656-D660 PolarHBondContact NE2-OD2 2.73Å; Q656-D660 VanDerWaalsContact NE2-OD2 3.1Å; Q656-D660 VanDerWaalsContact O-CB 3.3Å; Q656-D660 WeakPolarHBondContact O-CB 3.41Å; Q656-D660 PolarHBondContact O-N 3.33Å
657	I	98.8	Very high	97.2	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-54.4	-45.2	179.5	-75.9	163.3	0	0	0	110.5	L617 W635 L642 L649 N653 R654 A661 T678	L617-I657 HydrophobicContact CD1-CD1 3.8Å; L617-I657 HydrophobicContact CD1-CG1 4.06Å; W635-I657 HydrophobicContact CZ3-CG2 4.16Å; L642-I657 HydrophobicContact CD1-CD1 4.32Å; L642-I657 HydrophobicContact CD1-CG2 3.73Å; L642-I657 HydrophobicContact CD2-CD1 4.49Å; L649-I657 HydrophobicContact CD1-CD1 3.71Å; N653-I657 WeakPolarHBondContact O-CG1 3.38Å; N653-I657 PolarHBondContact O-N 2.78Å; R654-I657 PolarHBondContact O-N 3.07Å; I657-A661 WeakPolarHBondContact O-CB 3.35Å; I657-A661 PolarHBondContact O-N 3.15Å; I657-A661 VanDerWaalsContact O-N 3.11Å; I657-T678 HydrophobicContact CG2-CG2 4.11Å
658	I	98.8	Very high	97.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64.3	-56.1	177.1	-61.1	168	0	0	0	109.7	R654 Q656 D660 A661 F662 Y681 L682 P690 A694	R654-I658 WeakPolarHBondContact O-CG1 3.37Å; R654-I658 PolarHBondContact O-N 3.3Å; Q656-I658 PolarHBondContact O-N 3.29Å; I658-D660 PolarHBondContact O-N 3Å; I658-A661 PolarHBondContact O-N 2.95Å; I658-F662 HydrophobicContact CG2-CD2 3.81Å; I658-F662 HydrophobicContact CG2-CE2 3.83Å; I658-F662 VanDerWaalsContact O-CD2 3.28Å; I658-F662 WeakPolarHBondContact O-CD2 3.38Å; I658-F662 PolarHBondContact O-N 2.84Å; I658-F662 VanDerWaalsContact O-N 3.07Å; I658-Y681 HydrophobicContact CD1-CE1 4.1Å; I658-L682 HydrophobicContact CD1-CD2 4.17Å; I658-P690 HydrophobicContact CD1-CB 4.46Å; I658-A694 HydrophobicContact CD1-CB 4.26Å; I658-A694 HydrophobicContact CG2-CB 4.13Å
659	D	98.6	Very high	97.2	Very high	6 Å²	6	16.9 Å²	16.9	3%	0.032	9%	0.085	C	C	.	.	H	α-helix	trans	-62.4	-43.8	-174.6	-169.1	68.8	0	0	0	113.1	Q436 R627 A655 Q656 N663 N697	Q436-D659 HydrophobicContact CG-CB 4.33Å; R627-D659 IonicContact CZ-OD2 2.98Å; R627-D659 VanDerWaalsContact CZ-OD2 3.24Å; R627-D659 IonicContact NH1-OD2 3.69Å; R627-D659 PolarHBondContact NH1-OD2 2.99Å; R627-D659 IonicContact NH2-OD2 2.7Å; R627-D659 PolarHBondContact NH2-OD2 2.86Å; A655-D659 WeakPolarHBondContact O-CB 3.49Å; A655-D659 PolarHBondContact O-N 3.05Å; Q656-D659 PolarHBondContact O-N 3.04Å; D659-N663 PolarHBondContact O-N 2.83Å; D659-N663 VanDerWaalsContact O-N 3.12Å; D659-N663 PolarHBondContact O-ND2 2.56Å; D659-N663 PolarHBondContact OD1-ND2 3.1Å; D659-N697 PolarHBondContact OD1-ND2 2.98Å; D659-N697 PolarHBondContact OD1-OD1 3.16Å
660	D	98.7	Very high	97.3	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.021	9%	0.089	C	C	.	.	H	α-helix	trans	-61.5	-48.6	175.6	-78.9	-8.7	0	0	0	110.1	R627 I628 Q656 I658 F662 N663 L664	R627-D660 WeakPolarHBondContact CB-OD1 3.3Å; R627-D660 VanDerWaalsContact CG-OD1 3.24Å; R627-D660 WeakPolarHBondContact CG-OD1 3.39Å; R627-D660 IonicContact CZ-OD1 3.02Å; R627-D660 IonicContact NH1-OD1 2.71Å; R627-D660 PolarHBondContact NH1-OD1 3.33Å; I628-D660 PolarHBondContact N-OD2 2.9Å; Q656-D660 PolarHBondContact NE2-OD2 2.73Å; Q656-D660 VanDerWaalsContact NE2-OD2 3.1Å; Q656-D660 VanDerWaalsContact O-CB 3.3Å; Q656-D660 WeakPolarHBondContact O-CB 3.41Å; Q656-D660 PolarHBondContact O-N 3.33Å; I658-D660 PolarHBondContact O-N 3Å; D660-F662 PolarHBondContact O-N 2.85Å; D660-N663 PolarHBondContact O-N 3.46Å; D660-L664 HydrophobicContact CB-CD1 4.44Å; D660-L664 VanDerWaalsContact O-CB 3.24Å; D660-L664 WeakPolarHBondContact O-CB 3.32Å; D660-L664 WeakPolarHBondContact O-CG 3.2Å; D660-L664 PolarHBondContact O-N 3.2Å
661	A	98.7	Very high	97.3	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-59.7	-45.5	-178.3	0	0	0	0	0	112.7	W635 I657 I658 N663 L664 A665 I670 A675 T678	W635-A661 HydrophobicContact CH2-CB 4.25Å; W635-A661 HydrophobicContact CZ3-CB 4.41Å; I657-A661 WeakPolarHBondContact O-CB 3.35Å; I657-A661 PolarHBondContact O-N 3.15Å; I657-A661 VanDerWaalsContact O-N 3.11Å; I658-A661 PolarHBondContact O-N 2.95Å; A661-N663 PolarHBondContact O-N 2.8Å; A661-L664 PolarHBondContact O-N 2.76Å; A661-A665 WeakPolarHBondContact O-CB 3.46Å; A661-A665 PolarHBondContact O-N 2.95Å; A661-I670 HydrophobicContact CB-CD1 3.94Å; A661-I670 WeakPolarHBondContact O-CD1 3.46Å; A661-A675 HydrophobicContact CB-CB 4.17Å; A661-T678 HydrophobicContact CB-CG2 3.62Å
662	F	98.3	Very high	97.2	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.009	9%	0.09	C	C	.	.	H	α-helix	trans	-63.2	-41.6	177.9	-85.7	-82.5	0	0	0	112.7	I658 D660 A665 R666 A675 L676 T679 N697 L698 Y701	I658-F662 HydrophobicContact CG2-CD2 3.81Å; I658-F662 HydrophobicContact CG2-CE2 3.83Å; I658-F662 VanDerWaalsContact O-CD2 3.28Å; I658-F662 WeakPolarHBondContact O-CD2 3.38Å; I658-F662 PolarHBondContact O-N 2.84Å; I658-F662 VanDerWaalsContact O-N 3.07Å; D660-F662 PolarHBondContact O-N 2.85Å; F662-A665 PolarHBondContact O-N 3.19Å; F662-R666 WeakPolarHBondContact O-CG 3.21Å; F662-R666 PolarHBondContact O-N 2.91Å; F662-R666 VanDerWaalsContact O-N 3.12Å; F662-A675 HydrophobicContact CD1-CB 4.11Å; F662-A675 HydrophobicContact CD2-CB 4.38Å; F662-A675 HydrophobicContact CE1-CB 4.43Å; F662-A675 HydrophobicContact CG-CB 4.1Å; F662-L676 HydrophobicContact CE1-CD2 4.13Å; F662-L676 HydrophobicContact CZ-CD2 4.2Å; F662-T679 HydrophobicContact CE2-CG2 3.64Å; F662-T679 HydrophobicContact CZ-CG2 3.77Å; F662-N697 HydrophobicContact CB-CB 3.82Å; F662-N697 VanDerWaalsContact CB-OD1 3.3Å; F662-N697 WeakPolarHBondContact CB-OD1 3.5Å; F662-N697 HydrophobicContact CD1-CB 4.03Å; F662-N697 HydrophobicContact CD2-CB 3.64Å; F662-N697 HydrophobicContact CE2-CB 4.19Å; F662-N697 HydrophobicContact CG-CB 3.56Å; F662-L698 HydrophobicContact CE1-CD2 4.24Å; F662-L698 HydrophobicContact CZ-CD2 3.91Å; F662-L698 HydrophobicContact CZ-CG 4.13Å; F662-Y701 HydrophobicContact CD1-CD2 4.33Å; F662-Y701 AromaticContact CD1-CE2 3.5Å; F662-Y701 HydrophobicContact CD1-CE2 3.5Å; F662-Y701 VanDerWaalsContact CD1-CE2 3.5Å; F662-Y701 AromaticContact CD1-CZ 3.91Å; F662-Y701 HydrophobicContact CE1-CD2 4.07Å; F662-Y701 AromaticContact CE1-CE2 3.5Å; F662-Y701 HydrophobicContact CE1-CE2 3.5Å; F662-Y701 VanDerWaalsContact CE1-CE2 3.5Å; F662-Y701 AromaticContact CE1-CZ 3.74Å
663	N	97.5	Very high	97.2	Very high	8 Å²	8	19.2 Å²	19.2	4%	0.043	10%	0.1	C	C	.	.	H	α-helix	trans	-75.5	-36	179.8	-72.5	-76	0	0	0	112.2	F562 L564 R627 D659 D660 A661 A665 R666 A667 N697	F562-N663 HydrophobicContact CE1-CB 4.45Å; F562-N663 HydrophobicContact CZ-CB 3.97Å; F562-N663 WeakPolarHBondContact CZ-O 3.32Å; L564-N663 HydrophobicContact CD2-CB 4.37Å; R627-N663 PolarHBondContact NH2-ND2 2.66Å; R627-N663 VanDerWaalsContact NH2-ND2 3.16Å; D659-N663 PolarHBondContact O-N 2.83Å; D659-N663 VanDerWaalsContact O-N 3.12Å; D659-N663 PolarHBondContact O-ND2 2.56Å; D659-N663 PolarHBondContact OD1-ND2 3.1Å; D660-N663 PolarHBondContact O-N 3.46Å; A661-N663 PolarHBondContact O-N 2.8Å; N663-A665 VanDerWaalsContact C-N 3.3Å; N663-A665 PolarHBondContact O-N 2.88Å; N663-R666 PolarHBondContact O-N 3.17Å; N663-A667 WeakPolarHBondContact O-CB 3.36Å; N663-A667 PolarHBondContact O-N 3.07Å; N663-N697 PolarHBondContact ND2-OD1 3.35Å
664	L	98.4	Very high	97.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.7	-38.6	171.1	-70.8	172	0	0	0	111.8	V547 F562 I628 N629 W635 D660 A661 A667 K668 L669 I670	V547-L664 HydrophobicContact CG2-CD2 3.71Å; F562-L664 HydrophobicContact CE2-CD2 4.16Å; I628-L664 WeakPolarHBondContact O-CD1 3.18Å; N629-L664 HydrophobicContact CB-CD1 3.83Å; N629-L664 HydrophobicContact CB-CD2 3.95Å; W635-L664 HydrophobicContact CH2-CD1 4.33Å; W635-L664 HydrophobicContact CZ2-CD1 3.65Å; D660-L664 HydrophobicContact CB-CD1 4.44Å; D660-L664 VanDerWaalsContact O-CB 3.24Å; D660-L664 WeakPolarHBondContact O-CB 3.32Å; D660-L664 WeakPolarHBondContact O-CG 3.2Å; D660-L664 PolarHBondContact O-N 3.2Å; A661-L664 PolarHBondContact O-N 2.76Å; L664-A667 CarbonylContact O-C 3.51Å; L664-A667 PolarHBondContact O-N 2.92Å; L664-K668 PolarHBondContact O-N 2.85Å; L664-K668 VanDerWaalsContact O-N 3.13Å; L664-L669 HydrophobicContact CB-CB 4.3Å; L664-L669 HydrophobicContact CD2-CB 4.12Å; L664-L669 HydrophobicContact CD2-CD1 3.66Å; L664-L669 HydrophobicContact CD2-CG 4.4Å; L664-L669 PolarHBondContact O-N 2.94Å; L664-I670 HydrophobicContact CB-CD1 3.85Å; L664-I670 HydrophobicContact CB-CG1 3.85Å; L664-I670 HydrophobicContact CB-CG2 4.47Å; L664-I670 HydrophobicContact CD1-CD1 4.28Å
665	A	96.6	Very high	97.2	Very high	5 Å²	5	19.5 Å²	19.5	4%	0.041	10%	0.102	C	C	.	.	H	α-helix	trans	-65.1	-43.9	175.5	0	0	0	0	0	111.8	A661 F662 N663 A667 K668 I670 A675	A661-A665 WeakPolarHBondContact O-CB 3.46Å; A661-A665 PolarHBondContact O-N 2.95Å; F662-A665 PolarHBondContact O-N 3.19Å; N663-A665 VanDerWaalsContact C-N 3.3Å; N663-A665 PolarHBondContact O-N 2.88Å; A665-A667 VanDerWaalsContact C-N 3.27Å; A665-A667 PolarHBondContact O-N 3.37Å; A665-K668 PolarHBondContact O-N 2.9Å; A665-I670 WeakPolarHBondContact CA-O 3.14Å; A665-I670 HydrophobicContact CB-CG1 4.05Å; A665-A675 HydrophobicContact CB-CB 3.9Å
666	R	91.9	Very high	97.2	Very high	63 Å²	63	19.5 Å²	19.5	24%	0.238	10%	0.102	C	C	.	.	H	α-helix	trans	-60	-38.9	173.3	-69.9	178.1	68.8	-144.5	-3.6	112	L564 F662 N663 K668	L564-R666 HydrophobicContact CD2-CB 4.07Å; L564-R666 CarbonylContact O-C 3.56Å; F662-R666 WeakPolarHBondContact O-CG 3.21Å; F662-R666 PolarHBondContact O-N 2.91Å; F662-R666 VanDerWaalsContact O-N 3.12Å; N663-R666 PolarHBondContact O-N 3.17Å; R666-K668 PolarHBondContact O-N 3.22Å
667	A	93.4	Very high	97.2	Very high	3 Å²	3	23.2 Å²	23.2	3%	0.025	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	7.4	174.3	0	0	0	0	0	114.5	F562 L563 L564 N663 L664 A665 L669	F562-A667 HydrophobicContact CD2-CB 4.46Å; F562-A667 HydrophobicContact CE2-CB 3.56Å; F562-A667 HydrophobicContact CZ-CB 3.83Å; L563-A667 WeakPolarHBondContact O-CB 3.46Å; L564-A667 WeakPolarHBondContact O-CA 3.5Å; N663-A667 WeakPolarHBondContact O-CB 3.36Å; N663-A667 PolarHBondContact O-N 3.07Å; L664-A667 CarbonylContact O-C 3.51Å; L664-A667 PolarHBondContact O-N 2.92Å; A665-A667 VanDerWaalsContact C-N 3.27Å; A665-A667 PolarHBondContact O-N 3.37Å; A667-L669 HydrophobicContact CB-CD1 4.37Å; A667-L669 HydrophobicContact CB-CG 4.07Å; A667-L669 PolarHBondContact O-N 2.86Å
668	K	94.3	Very high	97.1	Very high	94 Å²	94	23 Å²	23	41%	0.409	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	26.7	179.1	-49.5	-175.2	177.8	-164.5	0	114.6	P566 L664 A665 R666 E949	P566-K668 HydrophobicContact CG-CB 4.46Å; P566-K668 HydrophobicContact CG-CD 4Å; P566-K668 HydrophobicContact CG-CG 4.24Å; L664-K668 PolarHBondContact O-N 2.85Å; L664-K668 VanDerWaalsContact O-N 3.13Å; A665-K668 PolarHBondContact O-N 2.9Å; R666-K668 PolarHBondContact O-N 3.22Å; K668-E949 WeakPolarHBondContact CE-OE2 3.41Å; K668-E949 IonicContact NZ-OE1 3.13Å; K668-E949 PolarHBondContact NZ-OE1 2.83Å; K668-E949 IonicContact NZ-OE2 2.71Å; K668-E949 PolarHBondContact NZ-OE2 2.98Å
669	L	96.3	Very high	97.1	Very high	52 Å²	52	23 Å²	23	27%	0.272	11%	0.114	S	C	.	.	S	Bend	trans	-90.6	-24.4	179.4	-56.6	-170.9	0	0	0	112.7	V547 F562 L664 A667	V547-L669 HydrophobicContact CG1-CD1 4.12Å; F562-L669 HydrophobicContact CD2-CD1 4.48Å; F562-L669 HydrophobicContact CE2-CD1 4.43Å; L664-L669 HydrophobicContact CB-CB 4.3Å; L664-L669 HydrophobicContact CD2-CB 4.12Å; L664-L669 HydrophobicContact CD2-CD1 3.66Å; L664-L669 HydrophobicContact CD2-CG 4.4Å; L664-L669 PolarHBondContact O-N 2.94Å; A667-L669 HydrophobicContact CB-CD1 4.37Å; A667-L669 HydrophobicContact CB-CG 4.07Å; A667-L669 PolarHBondContact O-N 2.86Å
670	I	97.6	Very high	97	Very high	17 Å²	17	26 Å²	26	9%	0.087	13%	0.128	C	C	.	.	S	Bend	trans	-138.5	160.6	172.1	68.7	-179.4	0	0	0	109.5	N629 A661 L664 A665 L674	N629-I670 WeakPolarHBondContact OD1-CG2 3.48Å; A661-I670 HydrophobicContact CB-CD1 3.94Å; A661-I670 WeakPolarHBondContact O-CD1 3.46Å; L664-I670 HydrophobicContact CB-CD1 3.85Å; L664-I670 HydrophobicContact CB-CG1 3.85Å; L664-I670 HydrophobicContact CB-CG2 4.47Å; L664-I670 HydrophobicContact CD1-CD1 4.28Å; A665-I670 WeakPolarHBondContact CA-O 3.14Å; A665-I670 HydrophobicContact CB-CG1 4.05Å; I670-L674 HydrophobicContact CB-CD1 4.34Å; I670-L674 HydrophobicContact CD1-CD2 3.73Å; I670-L674 HydrophobicContact CD1-CG 4.46Å
671	P	96.8	Very high	97	Very high	79 Å²	79	26 Å²	26	51%	0.513	13%	0.128	S	C	.	.			trans	-64.6	144.4	174.2	-21.4	33.9	0	0	0	112.5	T673 L674 A675	P671-T673 PolarHBondContact O-N 2.85Å; P671-L674 WeakPolarHBondContact O-CB 3.31Å; P671-L674 PolarHBondContact O-N 3.05Å; P671-A675 PolarHBondContact O-N 2.77Å
672	T	96.1	Very high	96.9	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.031	13%	0.128	C	C	.	.	H	α-helix	trans	-58	-32.2	175.6	-158.4	0	0	0	0	112.8	L674 A675 L676 Y701 N950 D953 V954	T672-L674 VanDerWaalsContact C-N 3.32Å; T672-L674 PolarHBondContact O-N 3Å; T672-A675 WeakPolarHBondContact O-CB 3.26Å; T672-A675 PolarHBondContact O-N 3.3Å; T672-L676 WeakPolarHBondContact O-CG 3.47Å; T672-L676 PolarHBondContact O-N 3.46Å; T672-Y701 PolarHBondContact OG1-OH 2.98Å; T672-N950 VanDerWaalsContact CB-OD1 3.28Å; T672-N950 WeakPolarHBondContact CB-OD1 3.07Å; T672-N950 HydrophobicContact CG2-CB 4.36Å; T672-N950 WeakPolarHBondContact CG2-OD1 3.49Å; T672-D953 HydrophobicContact CG2-CB 4.36Å; T672-V954 HydrophobicContact CG2-CG2 3.86Å
673	T	96.7	Very high	96.9	Very high	45 Å²	45	27.6 Å²	27.6	28%	0.276	14%	0.139	S	C	.	.	H	α-helix	trans	-67.9	-30.1	176.5	52.9	0	0	0	0	112.6	P671 L676 R677 D953 W957	P671-T673 PolarHBondContact O-N 2.85Å; T673-L676 PolarHBondContact O-N 3.17Å; T673-R677 VanDerWaalsContact O-CG 3.28Å; T673-R677 WeakPolarHBondContact O-CG 3.22Å; T673-R677 PolarHBondContact O-N 3.1Å; T673-D953 HydrophobicContact CG2-CB 4.26Å; T673-W957 HydrophobicContact CG2-CB 4.36Å; T673-W957 HydrophobicContact CG2-CG 4.45Å
674	L	98.3	Very high	96.9	Very high	15 Å²	15	31.5 Å²	31.5	8%	0.079	16%	0.156	C	C	.	.	H	α-helix	trans	-66.4	-43.5	172.7	-169.9	165.5	0	0	0	110.4	W635 I670 P671 T672 L676 R677 T678	W635-L674 HydrophobicContact CB-CD1 4.1Å; W635-L674 HydrophobicContact CD2-CD2 4.1Å; W635-L674 HydrophobicContact CE3-CD2 4.24Å; W635-L674 HydrophobicContact CG-CD1 4.04Å; W635-L674 HydrophobicContact CG-CD2 4.26Å; I670-L674 HydrophobicContact CB-CD1 4.34Å; I670-L674 HydrophobicContact CD1-CD2 3.73Å; I670-L674 HydrophobicContact CD1-CG 4.46Å; P671-L674 WeakPolarHBondContact O-CB 3.31Å; P671-L674 PolarHBondContact O-N 3.05Å; T672-L674 VanDerWaalsContact C-N 3.32Å; T672-L674 PolarHBondContact O-N 3Å; L674-L676 PolarHBondContact O-N 3.48Å; L674-R677 WeakPolarHBondContact O-CB 3.33Å; L674-R677 PolarHBondContact O-N 3.33Å; L674-R677 VanDerWaalsContact O-N 3.15Å; L674-T678 PolarHBondContact O-N 3.33Å
675	A	98.2	Very high	96.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-59	-46.9	174	0	0	0	0	0	111.7	A661 F662 A665 P671 T672 R677 T678	A661-A675 HydrophobicContact CB-CB 4.17Å; F662-A675 HydrophobicContact CD1-CB 4.11Å; F662-A675 HydrophobicContact CD2-CB 4.38Å; F662-A675 HydrophobicContact CE1-CB 4.43Å; F662-A675 HydrophobicContact CG-CB 4.1Å; A665-A675 HydrophobicContact CB-CB 3.9Å; P671-A675 PolarHBondContact O-N 2.77Å; T672-A675 WeakPolarHBondContact O-CB 3.26Å; T672-A675 PolarHBondContact O-N 3.3Å; A675-R677 VanDerWaalsContact C-N 3.27Å; A675-R677 PolarHBondContact O-N 3.13Å; A675-T678 WeakPolarHBondContact O-CB 3.41Å; A675-T678 PolarHBondContact O-N 2.97Å; A675-T678 PolarHBondContact O-OG1 3.37Å
676	L	98.4	Very high	96.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61	-32.9	175.8	-66.4	172.8	0	0	0	113	F662 T672 T673 L674 T678 T679 L698 Y701 V954 W957 F958	F662-L676 HydrophobicContact CE1-CD2 4.13Å; F662-L676 HydrophobicContact CZ-CD2 4.2Å; T672-L676 WeakPolarHBondContact O-CG 3.47Å; T672-L676 PolarHBondContact O-N 3.46Å; T673-L676 PolarHBondContact O-N 3.17Å; L674-L676 PolarHBondContact O-N 3.48Å; L676-T678 PolarHBondContact O-N 3.26Å; L676-T679 PolarHBondContact O-N 3.17Å; L676-T679 VanDerWaalsContact O-N 3.09Å; L676-T679 PolarHBondContact O-OG1 3.5Å; L676-L698 HydrophobicContact CD2-CD2 4.35Å; L676-Y701 HydrophobicContact CD1-CE1 4.48Å; L676-Y701 HydrophobicContact CD2-CD1 4.29Å; L676-Y701 HydrophobicContact CD2-CE1 3.95Å; L676-Y701 HydrophobicContact CG-CE1 4.38Å; L676-V954 HydrophobicContact CD1-CG2 4.36Å; L676-W957 HydrophobicContact CB-CD2 3.83Å; L676-W957 HydrophobicContact CB-CE3 3.98Å; L676-W957 HydrophobicContact CB-CH2 3.81Å; L676-W957 HydrophobicContact CB-CZ2 3.66Å; L676-W957 HydrophobicContact CB-CZ3 3.98Å; L676-W957 HydrophobicContact CD1-CB 4.28Å; L676-W957 HydrophobicContact CD1-CD2 3.82Å; L676-W957 HydrophobicContact CD1-CE3 3.79Å; L676-W957 HydrophobicContact CD1-CG 4.04Å; L676-W957 HydrophobicContact CD1-CZ3 4.43Å; L676-W957 HydrophobicContact CG-CD2 4.45Å; L676-W957 HydrophobicContact CG-CE3 4.36Å; L676-W957 WeakPolarHBondContact O-CH2 3.33Å; L676-W957 WeakPolarHBondContact O-CZ2 3.22Å; L676-F958 HydrophobicContact CD1-CZ 4.45Å; L676-F958 HydrophobicContact CD2-CE1 4.29Å; L676-F958 HydrophobicContact CD2-CE2 4.49Å; L676-F958 HydrophobicContact CD2-CZ 3.76Å
677	R	98.2	Very high	97.1	Very high	86 Å²	86	34.3 Å²	34.3	33%	0.325	17%	0.169	S	C	.	.	H	α-helix	trans	-61.9	-29	174.8	-73.8	169.6	66.4	-151.6	-2.9	113	D636 L639 T673 L674 A675 T679 Q680	D636-R677 IonicContact OD1-CZ 3.03Å; D636-R677 VanDerWaalsContact OD1-CZ 3.25Å; D636-R677 IonicContact OD1-NH1 3.27Å; D636-R677 PolarHBondContact OD1-NH1 2.93Å; D636-R677 IonicContact OD1-NH2 3.4Å; D636-R677 PolarHBondContact OD1-NH2 3.45Å; L639-R677 HydrophobicContact CD1-CB 3.99Å; L639-R677 HydrophobicContact CD2-CB 4.4Å; T673-R677 VanDerWaalsContact O-CG 3.28Å; T673-R677 WeakPolarHBondContact O-CG 3.22Å; T673-R677 PolarHBondContact O-N 3.1Å; L674-R677 WeakPolarHBondContact O-CB 3.33Å; L674-R677 PolarHBondContact O-N 3.33Å; L674-R677 VanDerWaalsContact O-N 3.15Å; A675-R677 VanDerWaalsContact C-N 3.27Å; A675-R677 PolarHBondContact O-N 3.13Å; R677-T679 PolarHBondContact O-N 2.72Å; R677-T679 VanDerWaalsContact O-N 3.15Å; R677-Q680 WeakPolarHBondContact O-CB 3.27Å; R677-Q680 PolarHBondContact O-N 2.88Å
678	T	98.2	Very high	97.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.3	175.2	70.9	0	0	0	0	113.4	L639 I657 A661 L674 A675 L676 Y681	L639-T678 HydrophobicContact CD2-CG2 3.85Å; I657-T678 HydrophobicContact CG2-CG2 4.11Å; A661-T678 HydrophobicContact CB-CG2 3.62Å; L674-T678 PolarHBondContact O-N 3.33Å; A675-T678 WeakPolarHBondContact O-CB 3.41Å; A675-T678 PolarHBondContact O-N 2.97Å; A675-T678 PolarHBondContact O-OG1 3.37Å; L676-T678 PolarHBondContact O-N 3.26Å; T678-Y681 WeakPolarHBondContact O-CD1 3.28Å; T678-Y681 WeakPolarHBondContact O-CE1 3.5Å
679	T	98.1	Very high	97.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-7.1	-179.3	67.5	0	0	0	0	113.4	F662 L676 R677 Y681 L682 L698 Y717 Q721	F662-T679 HydrophobicContact CE2-CG2 3.64Å; F662-T679 HydrophobicContact CZ-CG2 3.77Å; L676-T679 PolarHBondContact O-N 3.17Å; L676-T679 VanDerWaalsContact O-N 3.09Å; L676-T679 PolarHBondContact O-OG1 3.5Å; R677-T679 PolarHBondContact O-N 2.72Å; R677-T679 VanDerWaalsContact O-N 3.15Å; T679-Y681 VanDerWaalsContact C-N 3.31Å; T679-Y681 PolarHBondContact O-N 3.23Å; T679-L682 HydrophobicContact CG2-CD1 4.11Å; T679-L682 WeakPolarHBondContact O-CB 3.33Å; T679-L682 WeakPolarHBondContact O-CG 3.24Å; T679-L682 PolarHBondContact O-N 3.01Å; T679-L698 HydrophobicContact CG2-CD1 4.24Å; T679-Y717 VanDerWaalsContact C-OH 3.29Å; T679-Y717 PolarHBondContact O-OH 3.34Å; T679-Y717 PolarHBondContact OG1-OH 3.35Å; T679-Q721 PolarHBondContact O-NE2 3.04Å
680	Q	97.3	Very high	97.6	Very high	67 Å²	67	28.2 Å²	28.2	31%	0.313	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-62.7	-36.1	-174.9	-71.5	179.4	-52.5	0	0	112.9	R677 L682 Y717 Q721 W957	R677-Q680 WeakPolarHBondContact O-CB 3.27Å; R677-Q680 PolarHBondContact O-N 2.88Å; Q680-L682 VanDerWaalsContact C-N 3.27Å; Q680-L682 PolarHBondContact O-N 2.85Å; Q680-Y717 PolarHBondContact N-OH 2.95Å; Q680-Q721 PolarHBondContact O-NE2 3.13Å; Q680-W957 HydrophobicContact CG-CH2 4.28Å; Q680-W957 HydrophobicContact CG-CZ2 3.96Å
681	Y	97.7	Very high	97.6	Very high	5 Å²	5	27.6 Å²	27.6	2%	0.02	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-74.7	-12.8	-179.4	89.2	-80.6	0	0	0	113.7	L642 H646 I658 T678 T679 S683 K684 E685	L642-Y681 HydrophobicContact CB-CD1 3.93Å; L642-Y681 HydrophobicContact CB-CD2 4.44Å; L642-Y681 HydrophobicContact CB-CE1 4.4Å; L642-Y681 HydrophobicContact CB-CG 3.97Å; L642-Y681 HydrophobicContact CD1-CD1 4.08Å; L642-Y681 HydrophobicContact CD1-CE1 3.99Å; L642-Y681 HydrophobicContact CD2-CD1 4.39Å; L642-Y681 HydrophobicContact CD2-CE1 4.01Å; L642-Y681 HydrophobicContact CD2-CE2 4.29Å; L642-Y681 HydrophobicContact CG-CD1 4.37Å; L642-Y681 HydrophobicContact CG-CE1 4.38Å; H646-Y681 HydrophobicContact CB-CD2 4Å; H646-Y681 HydrophobicContact CB-CE2 3.94Å; I658-Y681 HydrophobicContact CD1-CE1 4.1Å; T678-Y681 WeakPolarHBondContact O-CD1 3.28Å; T678-Y681 WeakPolarHBondContact O-CE1 3.5Å; T679-Y681 VanDerWaalsContact C-N 3.31Å; T679-Y681 PolarHBondContact O-N 3.23Å; Y681-S683 PolarHBondContact O-N 2.98Å; Y681-K684 WeakPolarHBondContact O-CB 3.37Å; Y681-K684 PolarHBondContact O-N 2.7Å; Y681-E685 HydrophobicContact CD2-CB 4.45Å; Y681-E685 HydrophobicContact CE2-CB 3.85Å; Y681-E685 HydrophobicContact CE2-CG 4.27Å; Y681-E685 WeakPolarHBondContact CE2-OE2 3.21Å; Y681-E685 PolarHBondContact OH-OE2 3.23Å
682	L	97.6	Very high	97.7	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-58.2	-27.4	-169.3	-72.4	174.7	0	0	0	114.2	I658 T679 Q680 K684 E685 W691 A694	I658-L682 HydrophobicContact CD1-CD2 4.17Å; T679-L682 HydrophobicContact CG2-CD1 4.11Å; T679-L682 WeakPolarHBondContact O-CB 3.33Å; T679-L682 WeakPolarHBondContact O-CG 3.24Å; T679-L682 PolarHBondContact O-N 3.01Å; Q680-L682 VanDerWaalsContact C-N 3.27Å; Q680-L682 PolarHBondContact O-N 2.85Å; L682-K684 PolarHBondContact O-N 2.86Å; L682-E685 HydrophobicContact CD2-CB 4.13Å; L682-E685 HydrophobicContact CD2-CG 4.3Å; L682-E685 WeakPolarHBondContact O-CB 3.29Å; L682-E685 PolarHBondContact O-N 2.71Å; L682-W691 HydrophobicContact CB-CH2 3.77Å; L682-W691 HydrophobicContact CB-CZ2 3.81Å; L682-W691 HydrophobicContact CB-CZ3 4.17Å; L682-W691 HydrophobicContact CD1-CE3 4.29Å; L682-W691 HydrophobicContact CD1-CH2 4.49Å; L682-W691 HydrophobicContact CD1-CZ3 4.08Å; L682-W691 HydrophobicContact CD2-CD2 4.34Å; L682-W691 WeakPolarHBondContact O-CZ2 3.45Å; L682-A694 HydrophobicContact CD1-CB 3.45Å; L682-A694 VanDerWaalsContact CD1-CB 3.45Å; L682-A694 HydrophobicContact CD2-CB 4.25Å; L682-A694 HydrophobicContact CG-CB 4.49Å
683	S	96.8	Very high	97.8	Very high	34 Å²	34	24.1 Å²	24.1	24%	0.238	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-57	-22	172.9	55.5	0	0	0	0	113.4	Y681 R686	Y681-S683 PolarHBondContact O-N 2.98Å; S683-R686 PolarHBondContact O-NH1 2.92Å; S683-R686 PolarHBondContact O-NH2 3.21Å
684	K	97.3	Very high	97.9	Very high	90 Å²	90	22 Å²	22	39%	0.391	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	-95.3	-17.5	174.6	-57.4	168.8	179.5	167.6	0	113.5	D643 Y681 L682 R686	D643-K684 VanDerWaalsContact CG-NZ 3.32Å; D643-K684 PolarHBondContact O-NZ 3.1Å; D643-K684 IonicContact OD1-NZ 3.61Å; D643-K684 PolarHBondContact OD1-NZ 3.49Å; D643-K684 IonicContact OD2-NZ 3.62Å; Y681-K684 WeakPolarHBondContact O-CB 3.37Å; Y681-K684 PolarHBondContact O-N 2.7Å; L682-K684 PolarHBondContact O-N 2.86Å; K684-R686 VanDerWaalsContact C-NH1 3.3Å; K684-R686 PolarHBondContact O-NH1 3.26Å
685	E	98	Very high	97.8	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	10%	0.1	C	C	.	.			trans	-73.4	139.6	-177.4	-179.1	62.7	-92.3	0	0	111.5	H646 R654 Y681 L682 D687 P690 W691	H646-E685 IonicContact ND1-OE2 3.19Å; R654-E685 IonicContact CZ-OE1 3.55Å; R654-E685 IonicContact CZ-OE2 3.99Å; R654-E685 IonicContact NE-OE1 3.69Å; R654-E685 IonicContact NE-OE2 2.68Å; R654-E685 PolarHBondContact NE-OE2 3.46Å; R654-E685 IonicContact NH2-OE1 3.75Å; R654-E685 PolarHBondContact NH2-OE1 2.98Å; R654-E685 IonicContact NH2-OE2 2.69Å; R654-E685 PolarHBondContact NH2-OE2 3.48Å; Y681-E685 HydrophobicContact CD2-CB 4.45Å; Y681-E685 HydrophobicContact CE2-CB 3.85Å; Y681-E685 HydrophobicContact CE2-CG 4.27Å; Y681-E685 WeakPolarHBondContact CE2-OE2 3.21Å; Y681-E685 PolarHBondContact OH-OE2 3.23Å; L682-E685 HydrophobicContact CD2-CB 4.13Å; L682-E685 HydrophobicContact CD2-CG 4.3Å; L682-E685 WeakPolarHBondContact O-CB 3.29Å; L682-E685 PolarHBondContact O-N 2.71Å; E685-D687 PolarHBondContact OE1-N 3.16Å; E685-P690 HydrophobicContact CG-CB 4.01Å; E685-P690 HydrophobicContact CG-CG 4.48Å; E685-P690 WeakPolarHBondContact OE2-CB 3.17Å; E685-P690 WeakPolarHBondContact OE2-CG 3.43Å; E685-W691 HydrophobicContact CG-CG 4.38Å; E685-W691 PolarHBondContact O-NE1 3.22Å
686	R	97.2	Very high	97.7	Very high	75 Å²	75	25.9 Å²	25.9	28%	0.283	12%	0.116	S	C	.	.			trans	-126.8	-12.5	-180	-60.4	-63.6	176.5	-94.5	1.6	113.3	S683 K684 N748	S683-R686 PolarHBondContact O-NH1 2.92Å; S683-R686 PolarHBondContact O-NH2 3.21Å; K684-R686 VanDerWaalsContact C-NH1 3.3Å; K684-R686 PolarHBondContact O-NH1 3.26Å; R686-N748 PolarHBondContact O-ND2 3.43Å
687	D	97.6	Very high	97.6	Very high	50 Å²	50	26.7 Å²	26.7	27%	0.267	12%	0.12	S	C	.	.			trans	-82.5	145.9	179	-70	-51.2	0	0	0	112.5	V651 R654 E685 P690	V651-D687 HydrophobicContact CG1-CB 3.98Å; V651-D687 HydrophobicContact CG2-CB 4.31Å; R654-D687 IonicContact CZ-OD2 2.6Å; R654-D687 IonicContact NH2-OD2 2.85Å; R654-D687 PolarHBondContact NH2-OD2 3.14Å; E685-D687 PolarHBondContact OE1-N 3.16Å; D687-P690 HydrophobicContact CB-CG 4.4Å
688	Y	97.6	Very high	97.6	Very high	15 Å²	15	22.8 Å²	22.8	6%	0.059	11%	0.106	C	C	.	.	H	α-helix	trans	-60.8	-50.9	-178.3	170.6	-125.2	0	0	0	113.5	Y429 L432 Y433 W691 A692 S744 Y747 N748 N751	Y429-Y688 HydrophobicContact CD2-CE1 4.49Å; Y429-Y688 AromaticContact CE1-CD1 3.99Å; Y429-Y688 HydrophobicContact CE1-CD1 3.99Å; Y429-Y688 HydrophobicContact CE1-CE1 4.29Å; Y429-Y688 HydrophobicContact CE2-CD1 4.29Å; Y429-Y688 AromaticContact CE2-CE1 3.92Å; Y429-Y688 HydrophobicContact CE2-CE1 3.92Å; Y429-Y688 AromaticContact CZ-CD1 3.7Å; Y429-Y688 AromaticContact CZ-CE1 3.82Å; L432-Y688 HydrophobicContact CD1-CD1 4.33Å; L432-Y688 HydrophobicContact CD1-CE1 3.76Å; Y433-Y688 PolarHBondContact OH-OH 3.34Å; Y688-W691 PolarHBondContact O-N 2.98Å; Y688-A692 HydrophobicContact CD2-CB 4.15Å; Y688-A692 HydrophobicContact CE2-CB 3.73Å; Y688-A692 WeakPolarHBondContact O-CB 3.41Å; Y688-A692 PolarHBondContact O-N 3.42Å; Y688-S744 WeakPolarHBondContact CB-O 3.31Å; Y688-Y747 HydrophobicContact CE1-CD1 4.2Å; Y688-Y747 HydrophobicContact CE1-CG 4.16Å; Y688-Y747 AromaticContact CE2-CD1 3.96Å; Y688-Y747 HydrophobicContact CE2-CD1 3.96Å; Y688-Y747 HydrophobicContact CE2-CG 4.15Å; Y688-Y747 AromaticContact CZ-CD1 3.64Å; Y688-Y747 AromaticContact CZ-CG 3.96Å; Y688-Y747 WeakPolarHBondContact OH-CD1 3.08Å; Y688-N748 HydrophobicContact CD2-CB 4.35Å; Y688-N751 WeakPolarHBondContact CD2-ND2 3.46Å; Y688-N751 VanDerWaalsContact CE2-ND2 3.31Å; Y688-N751 WeakPolarHBondContact CE2-ND2 3.31Å
689	I	97.9	Very high	97.4	Very high	7 Å²	7	28.2 Å²	28.2	4%	0.036	13%	0.126	C	C	.	.	H	α-helix	trans	-64.7	-43.6	-166.4	-65.8	170	0	0	0	112.9	D428 Y429 L432 V651 A655 A692 S693	D428-I689 HydrophobicContact CB-CD1 3.68Å; Y429-I689 HydrophobicContact CD1-CD1 4.02Å; Y429-I689 HydrophobicContact CD1-CG1 4.36Å; Y429-I689 HydrophobicContact CE1-CD1 4.21Å; Y429-I689 HydrophobicContact CE1-CG1 4.34Å; L432-I689 HydrophobicContact CD1-CB 4.22Å; L432-I689 HydrophobicContact CD1-CG1 3.91Å; L432-I689 HydrophobicContact CD1-CG2 4.22Å; L432-I689 HydrophobicContact CD2-CG2 4.09Å; L432-I689 HydrophobicContact CG-CG1 4.45Å; L432-I689 HydrophobicContact CG-CG2 4Å; V651-I689 HydrophobicContact CG1-CB 3.79Å; V651-I689 HydrophobicContact CG1-CD1 4.19Å; V651-I689 HydrophobicContact CG1-CG1 4.39Å; V651-I689 HydrophobicContact CG1-CG2 4.42Å; A655-I689 HydrophobicContact CB-CG2 3.59Å; I689-A692 PolarHBondContact O-N 3.19Å; I689-S693 WeakPolarHBondContact O-CB 3.49Å; I689-S693 PolarHBondContact O-N 3.23Å
690	P	98.4	Very high	97.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.3	-41.2	174.3	-23.3	35	0	0	0	112.9	V651 R654 I658 E685 D687 S693 A694	V651-P690 HydrophobicContact CG1-CG 4.08Å; R654-P690 HydrophobicContact CB-CB 4.19Å; R654-P690 HydrophobicContact CB-CG 3.87Å; I658-P690 HydrophobicContact CD1-CB 4.46Å; E685-P690 HydrophobicContact CG-CB 4.01Å; E685-P690 HydrophobicContact CG-CG 4.48Å; E685-P690 WeakPolarHBondContact OE2-CB 3.17Å; E685-P690 WeakPolarHBondContact OE2-CG 3.43Å; D687-P690 HydrophobicContact CB-CG 4.4Å; P690-S693 PolarHBondContact O-N 3.44Å; P690-A694 WeakPolarHBondContact O-CB 3.07Å; P690-A694 PolarHBondContact O-N 3.42Å
691	W	98.3	Very high	97.2	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.015	12%	0.117	C	C	.	.	H	α-helix	trans	-61.7	-49.1	174.2	-92.2	111.5	0	0	0	111.5	L682 E685 Y688 S693 A694 L695 Q721 I722 L725	L682-W691 HydrophobicContact CB-CH2 3.77Å; L682-W691 HydrophobicContact CB-CZ2 3.81Å; L682-W691 HydrophobicContact CB-CZ3 4.17Å; L682-W691 HydrophobicContact CD1-CE3 4.29Å; L682-W691 HydrophobicContact CD1-CH2 4.49Å; L682-W691 HydrophobicContact CD1-CZ3 4.08Å; L682-W691 HydrophobicContact CD2-CD2 4.34Å; L682-W691 WeakPolarHBondContact O-CZ2 3.45Å; E685-W691 HydrophobicContact CG-CG 4.38Å; E685-W691 PolarHBondContact O-NE1 3.22Å; Y688-W691 PolarHBondContact O-N 2.98Å; W691-S693 VanDerWaalsContact C-N 3.3Å; W691-S693 PolarHBondContact O-N 2.96Å; W691-A694 PolarHBondContact O-N 3.32Å; W691-L695 HydrophobicContact CE3-CD2 4.28Å; W691-L695 HydrophobicContact CE3-CG 4.29Å; W691-L695 HydrophobicContact CZ3-CD2 4.38Å; W691-L695 WeakPolarHBondContact O-CB 3.19Å; W691-L695 WeakPolarHBondContact O-CG 3.3Å; W691-L695 PolarHBondContact O-N 3.38Å; W691-Q721 HydrophobicContact CH2-CB 4.17Å; W691-Q721 WeakPolarHBondContact CH2-O 3.26Å; W691-I722 HydrophobicContact CE3-CD1 4.12Å; W691-I722 HydrophobicContact CH2-CB 4.49Å; W691-I722 HydrophobicContact CH2-CD1 3.71Å; W691-I722 HydrophobicContact CZ2-CD1 4.25Å; W691-I722 HydrophobicContact CZ3-CD1 3.65Å; W691-L725 HydrophobicContact CD2-CD2 4.04Å; W691-L725 HydrophobicContact CG-CD2 4.13Å; W691-L725 HydrophobicContact CZ2-CB 4.24Å; W691-L725 HydrophobicContact CZ2-CD2 4.18Å
692	A	97.9	Very high	97.1	Very high	11 Å²	11	27.5 Å²	27.5	9%	0.091	12%	0.122	C	C	.	.	H	α-helix	trans	-58.6	-42	177.6	0	0	0	0	0	112	L432 Y688 I689 R696	L432-A692 HydrophobicContact CD1-CB 3.72Å; L432-A692 HydrophobicContact CD2-CB 4.2Å; Y688-A692 HydrophobicContact CD2-CB 4.15Å; Y688-A692 HydrophobicContact CE2-CB 3.73Å; Y688-A692 WeakPolarHBondContact O-CB 3.41Å; Y688-A692 PolarHBondContact O-N 3.42Å; I689-A692 PolarHBondContact O-N 3.19Å; A692-R696 VanDerWaalsContact O-CB 3.27Å; A692-R696 WeakPolarHBondContact O-CB 3.19Å; A692-R696 PolarHBondContact O-N 2.91Å
693	S	98.1	Very high	96.9	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61	-46.8	174.9	-174.1	0	0	0	0	112	Q436 A655 I689 P690 W691 R696 N697	Q436-S693 PolarHBondContact NE2-OG 3.22Å; A655-S693 PolarHBondContact O-OG 2.78Å; I689-S693 WeakPolarHBondContact O-CB 3.49Å; I689-S693 PolarHBondContact O-N 3.23Å; P690-S693 PolarHBondContact O-N 3.44Å; W691-S693 VanDerWaalsContact C-N 3.3Å; W691-S693 PolarHBondContact O-N 2.96Å; S693-R696 PolarHBondContact O-N 2.85Å; S693-N697 PolarHBondContact O-N 3.12Å; S693-N697 VanDerWaalsContact O-N 3.1Å; S693-N697 PolarHBondContact O-ND2 3.04Å
694	A	98.4	Very high	96.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.2	-49.9	176.8	0	0	0	0	0	112.3	I658 L682 P690 W691 R696 N697 L698	I658-A694 HydrophobicContact CD1-CB 4.26Å; I658-A694 HydrophobicContact CG2-CB 4.13Å; L682-A694 HydrophobicContact CD1-CB 3.45Å; L682-A694 VanDerWaalsContact CD1-CB 3.45Å; L682-A694 HydrophobicContact CD2-CB 4.25Å; L682-A694 HydrophobicContact CG-CB 4.49Å; P690-A694 WeakPolarHBondContact O-CB 3.07Å; P690-A694 PolarHBondContact O-N 3.42Å; W691-A694 PolarHBondContact O-N 3.32Å; A694-R696 VanDerWaalsContact C-N 3.28Å; A694-R696 PolarHBondContact O-N 2.91Å; A694-N697 PolarHBondContact O-N 3.35Å; A694-L698 HydrophobicContact CB-CD1 4.47Å; A694-L698 VanDerWaalsContact O-CB 3.29Å; A694-L698 WeakPolarHBondContact O-CB 3.19Å; A694-L698 WeakPolarHBondContact O-CD1 3.48Å; A694-L698 VanDerWaalsContact O-CG 3.31Å; A694-L698 WeakPolarHBondContact O-CG 3.39Å; A694-L698 PolarHBondContact O-N 3.37Å
695	L	97.5	Very high	96.9	Very high	11 Å²	11	22.3 Å²	22.3	6%	0.058	10%	0.096	C	C	.	.	H	α-helix	trans	-62.3	-37	-179.1	-63.8	178.7	0	0	0	111.5	W691 R699 N751 W754 M755	W691-L695 HydrophobicContact CE3-CD2 4.28Å; W691-L695 HydrophobicContact CE3-CG 4.29Å; W691-L695 HydrophobicContact CZ3-CD2 4.38Å; W691-L695 WeakPolarHBondContact O-CB 3.19Å; W691-L695 WeakPolarHBondContact O-CG 3.3Å; W691-L695 PolarHBondContact O-N 3.38Å; L695-R699 WeakPolarHBondContact O-CB 3.39Å; L695-R699 PolarHBondContact O-N 2.82Å; L695-N751 HydrophobicContact CD1-CB 3.87Å; L695-W754 HydrophobicContact CD1-CZ3 4.24Å; L695-M755 HydrophobicContact CD2-CB 4.47Å; L695-M755 HydrophobicContact CD2-CE 3.59Å; L695-M755 HydrophobicContact CD2-CG 3.94Å; L695-M755 HydrophobicContact CD2-SD 4.34Å
696	R	95.6	Very high	96.8	Very high	86 Å²	86	23.3 Å²	23.3	33%	0.325	10%	0.101	S	C	.	.	H	α-helix	trans	-63.9	-45.1	175	-176.9	-176.7	-65.1	-170.7	-1.7	112.3	L432 Q436 A692 S693 A694 R699	L432-R696 PolarHBondContact O-NH1 3.13Å; L432-R696 PolarHBondContact O-NH2 3Å; Q436-R696 VanDerWaalsContact CB-NH1 3.34Å; A692-R696 VanDerWaalsContact O-CB 3.27Å; A692-R696 WeakPolarHBondContact O-CB 3.19Å; A692-R696 PolarHBondContact O-N 2.91Å; S693-R696 PolarHBondContact O-N 2.85Å; A694-R696 VanDerWaalsContact C-N 3.28Å; A694-R696 PolarHBondContact O-N 2.91Å; R696-R699 VanDerWaalsContact O-CB 3.32Å; R696-R699 WeakPolarHBondContact O-CB 3.2Å; R696-R699 PolarHBondContact O-N 2.83Å
697	N	96.8	Very high	96.7	Very high	17 Å²	17	24.3 Å²	24.3	9%	0.091	11%	0.105	C	C	.	.	H	α-helix	trans	-71.2	-42.9	179.4	-80.5	-74.7	0	0	0	112	D659 F662 N663 S693 A694 R699 Y700	D659-N697 PolarHBondContact OD1-ND2 2.98Å; D659-N697 PolarHBondContact OD1-OD1 3.16Å; F662-N697 HydrophobicContact CB-CB 3.82Å; F662-N697 VanDerWaalsContact CB-OD1 3.3Å; F662-N697 WeakPolarHBondContact CB-OD1 3.5Å; F662-N697 HydrophobicContact CD1-CB 4.03Å; F662-N697 HydrophobicContact CD2-CB 3.64Å; F662-N697 HydrophobicContact CE2-CB 4.19Å; F662-N697 HydrophobicContact CG-CB 3.56Å; N663-N697 PolarHBondContact ND2-OD1 3.35Å; S693-N697 PolarHBondContact O-N 3.12Å; S693-N697 VanDerWaalsContact O-N 3.1Å; S693-N697 PolarHBondContact O-ND2 3.04Å; A694-N697 PolarHBondContact O-N 3.35Å; N697-R699 PolarHBondContact O-N 3.5Å; N697-Y700 PolarHBondContact O-N 3.07Å
698	L	96.8	Very high	96.6	Very high	3 Å²	3	24 Å²	24	2%	0.016	11%	0.105	C	C	.	.	H	α-helix	trans	-65.3	-24.4	175.2	-72.7	164.2	0	0	0	112.9	F662 L676 T679 A694 Y700 Y701 I702 L718	F662-L698 HydrophobicContact CE1-CD2 4.24Å; F662-L698 HydrophobicContact CZ-CD2 3.91Å; F662-L698 HydrophobicContact CZ-CG 4.13Å; L676-L698 HydrophobicContact CD2-CD2 4.35Å; T679-L698 HydrophobicContact CG2-CD1 4.24Å; A694-L698 HydrophobicContact CB-CD1 4.47Å; A694-L698 VanDerWaalsContact O-CB 3.29Å; A694-L698 WeakPolarHBondContact O-CB 3.19Å; A694-L698 WeakPolarHBondContact O-CD1 3.48Å; A694-L698 VanDerWaalsContact O-CG 3.31Å; A694-L698 WeakPolarHBondContact O-CG 3.39Å; A694-L698 PolarHBondContact O-N 3.37Å; L698-Y700 PolarHBondContact O-N 3.38Å; L698-Y701 WeakPolarHBondContact O-CB 3.38Å; L698-Y701 PolarHBondContact O-N 3.15Å; L698-I702 WeakPolarHBondContact O-CG1 3.48Å; L698-I702 PolarHBondContact O-N 2.95Å; L698-L718 HydrophobicContact CD1-CD2 3.69Å; L698-L718 HydrophobicContact CD2-CD2 4.5Å
699	R	95.2	Very high	96.6	Very high	115 Å²	115	28.8 Å²	28.8	43%	0.434	13%	0.128	S	C	.	.	H	α-helix	trans	-55.2	-37.2	173.7	-175.3	176.9	178.2	147.1	-0.3	111.9	L695 R696 N697 I702 L703	L695-R699 WeakPolarHBondContact O-CB 3.39Å; L695-R699 PolarHBondContact O-N 2.82Å; R696-R699 VanDerWaalsContact O-CB 3.32Å; R696-R699 WeakPolarHBondContact O-CB 3.2Å; R696-R699 PolarHBondContact O-N 2.83Å; N697-R699 PolarHBondContact O-N 3.5Å; R699-I702 PolarHBondContact O-N 3.1Å; R699-L703 HydrophobicContact CG-CD1 3.93Å; R699-L703 HydrophobicContact CG-CG 4.28Å; R699-L703 WeakPolarHBondContact O-CB 3.32Å; R699-L703 WeakPolarHBondContact O-CG 3.41Å; R699-L703 PolarHBondContact O-N 3.07Å
700	Y	93.8	Very high	96.6	Very high	31 Å²	31	28.4 Å²	28.4	12%	0.122	13%	0.126	C	C	.	.	H	α-helix	trans	-61.6	-45.7	175.3	179.7	-105.5	0	0	0	111.4	N697 L698 I702 L703 M704 N943 W946	N697-Y700 PolarHBondContact O-N 3.07Å; L698-Y700 PolarHBondContact O-N 3.38Å; Y700-I702 VanDerWaalsContact C-N 3.34Å; Y700-I702 PolarHBondContact O-N 2.82Å; Y700-L703 PolarHBondContact O-N 2.93Å; Y700-M704 HydrophobicContact CD1-CG 4.19Å; Y700-M704 HydrophobicContact CD2-CG 4.19Å; Y700-M704 HydrophobicContact CE1-CG 3.79Å; Y700-M704 HydrophobicContact CE2-CE 4.22Å; Y700-M704 HydrophobicContact CE2-CG 3.78Å; Y700-M704 HydrophobicContact CE2-SD 3.89Å; Y700-M704 HydrophobicContact CG-CG 4.38Å; Y700-M704 VanDerWaalsContact O-CG 3.28Å; Y700-M704 WeakPolarHBondContact O-CG 3.44Å; Y700-M704 PolarHBondContact O-N 2.86Å; Y700-N943 VanDerWaalsContact CE2-OD1 3.28Å; Y700-N943 WeakPolarHBondContact CE2-OD1 3.42Å; Y700-N943 PolarHBondContact OH-OD1 2.81Å; Y700-W946 HydrophobicContact CD1-CH2 4.3Å; Y700-W946 HydrophobicContact CD1-CZ2 4.39Å; Y700-W946 HydrophobicContact CD1-CZ3 4.42Å; Y700-W946 AromaticContact CE1-CD2 3.62Å; Y700-W946 HydrophobicContact CE1-CD2 3.62Å; Y700-W946 AromaticContact CE1-CE2 3.82Å; Y700-W946 AromaticContact CE1-CE3 3.62Å; Y700-W946 HydrophobicContact CE1-CE3 3.62Å; Y700-W946 HydrophobicContact CE1-CG 4.2Å; Y700-W946 HydrophobicContact CE1-CH2 4.03Å; Y700-W946 HydrophobicContact CE1-CZ2 4.04Å; Y700-W946 AromaticContact CE1-CZ3 3.83Å; Y700-W946 HydrophobicContact CE1-CZ3 3.83Å
701	Y	95.8	Very high	96.5	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	14%	0.137	C	C	.	.	H	α-helix	trans	-62.7	-42.6	178.2	-71.6	-118	0	0	0	110.8	F662 T672 L676 L698 M704 F705 W946 V954	F662-Y701 HydrophobicContact CD1-CD2 4.33Å; F662-Y701 AromaticContact CD1-CE2 3.5Å; F662-Y701 HydrophobicContact CD1-CE2 3.5Å; F662-Y701 VanDerWaalsContact CD1-CE2 3.5Å; F662-Y701 AromaticContact CD1-CZ 3.91Å; F662-Y701 HydrophobicContact CE1-CD2 4.07Å; F662-Y701 AromaticContact CE1-CE2 3.5Å; F662-Y701 HydrophobicContact CE1-CE2 3.5Å; F662-Y701 VanDerWaalsContact CE1-CE2 3.5Å; F662-Y701 AromaticContact CE1-CZ 3.74Å; T672-Y701 PolarHBondContact OG1-OH 2.98Å; L676-Y701 HydrophobicContact CD1-CE1 4.48Å; L676-Y701 HydrophobicContact CD2-CD1 4.29Å; L676-Y701 HydrophobicContact CD2-CE1 3.95Å; L676-Y701 HydrophobicContact CG-CE1 4.38Å; L698-Y701 WeakPolarHBondContact O-CB 3.38Å; L698-Y701 PolarHBondContact O-N 3.15Å; Y701-M704 PolarHBondContact O-N 3.07Å; Y701-F705 HydrophobicContact CD1-CE2 4.23Å; Y701-F705 VanDerWaalsContact O-CB 3.27Å; Y701-F705 WeakPolarHBondContact O-CB 3.19Å; Y701-F705 VanDerWaalsContact O-CD2 3.22Å; Y701-F705 WeakPolarHBondContact O-CD2 3.35Å; Y701-F705 PolarHBondContact O-N 3.01Å; Y701-W946 AromaticContact CD1-CH2 3.77Å; Y701-W946 HydrophobicContact CD1-CH2 3.77Å; Y701-W946 HydrophobicContact CD1-CZ2 4.24Å; Y701-W946 HydrophobicContact CD2-CH2 4.31Å; Y701-W946 AromaticContact CE1-CH2 3.68Å; Y701-W946 HydrophobicContact CE1-CH2 3.68Å; Y701-W946 AromaticContact CE1-CZ2 3.68Å; Y701-W946 HydrophobicContact CE1-CZ2 3.68Å; Y701-W946 HydrophobicContact CE2-CH2 4.19Å; Y701-W946 AromaticContact CE2-CZ2 3.94Å; Y701-W946 HydrophobicContact CE2-CZ2 3.94Å; Y701-W946 HydrophobicContact CG-CH2 4.09Å; Y701-W946 AromaticContact CZ-CH2 3.9Å; Y701-W946 AromaticContact CZ-CZ2 3.51Å; Y701-V954 HydrophobicContact CD1-CG1 4.15Å; Y701-V954 HydrophobicContact CD1-CG2 4.41Å; Y701-V954 HydrophobicContact CE1-CG1 4.42Å; Y701-V954 HydrophobicContact CE1-CG2 3.95Å
702	I	95.8	Very high	96.5	Very high	25 Å²	25	33.1 Å²	33.1	13%	0.128	16%	0.158	C	C	.	.	H	α-helix	trans	-58	-51.1	173.4	-67.7	165.7	0	0	0	110.3	L698 R699 Y700 M704 F705 D706 Y711 L714 L718 M755	L698-I702 WeakPolarHBondContact O-CG1 3.48Å; L698-I702 PolarHBondContact O-N 2.95Å; R699-I702 PolarHBondContact O-N 3.1Å; Y700-I702 VanDerWaalsContact C-N 3.34Å; Y700-I702 PolarHBondContact O-N 2.82Å; I702-M704 VanDerWaalsContact C-N 3.31Å; I702-M704 PolarHBondContact O-N 3.37Å; I702-F705 PolarHBondContact O-N 2.58Å; I702-D706 HydrophobicContact CG2-CB 4.38Å; I702-D706 WeakPolarHBondContact O-CA 3.36Å; I702-D706 WeakPolarHBondContact O-CB 3.32Å; I702-D706 PolarHBondContact O-N 3.26Å; I702-Y711 HydrophobicContact CG2-CE2 4.19Å; I702-L714 HydrophobicContact CG1-CD2 3.86Å; I702-L718 HydrophobicContact CD1-CD1 4.02Å; I702-L718 HydrophobicContact CG1-CD1 4.41Å; I702-M755 HydrophobicContact CD1-CE 4.47Å
703	L	95.1	Very high	96.5	Very high	13 Å²	13	33.9 Å²	33.9	7%	0.068	16%	0.162	C	C	.	.	H	α-helix	trans	-64.3	-33.3	-177.8	-70.3	167.6	0	0	0	113.5	R699 Y700 L903 R904	R699-L703 HydrophobicContact CG-CD1 3.93Å; R699-L703 HydrophobicContact CG-CG 4.28Å; R699-L703 WeakPolarHBondContact O-CB 3.32Å; R699-L703 WeakPolarHBondContact O-CG 3.41Å; R699-L703 PolarHBondContact O-N 3.07Å; Y700-L703 PolarHBondContact O-N 2.93Å; L703-L903 HydrophobicContact CD1-CD1 4.31Å; L703-L903 HydrophobicContact CD1-CD2 3.78Å; L703-L903 HydrophobicContact CD1-CG 3.85Å; L703-L903 HydrophobicContact CD2-CD2 4.32Å; L703-R904 HydrophobicContact CB-CG 4.3Å; L703-R904 HydrophobicContact CD2-CG 3.72Å; L703-R904 VanDerWaalsContact CD2-CZ 3.49Å
704	M	95.9	Very high	96.4	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.015	16%	0.162	C	C	.	.	H	α-helix	trans	-77.6	-29.1	177.9	-66.2	-56.7	92.2	0	0	112.3	Y700 Y701 I702 N943 W946 V947	Y700-M704 HydrophobicContact CD1-CG 4.19Å; Y700-M704 HydrophobicContact CD2-CG 4.19Å; Y700-M704 HydrophobicContact CE1-CG 3.79Å; Y700-M704 HydrophobicContact CE2-CE 4.22Å; Y700-M704 HydrophobicContact CE2-CG 3.78Å; Y700-M704 HydrophobicContact CE2-SD 3.89Å; Y700-M704 HydrophobicContact CG-CG 4.38Å; Y700-M704 VanDerWaalsContact O-CG 3.28Å; Y700-M704 WeakPolarHBondContact O-CG 3.44Å; Y700-M704 PolarHBondContact O-N 2.86Å; Y701-M704 PolarHBondContact O-N 3.07Å; I702-M704 VanDerWaalsContact C-N 3.31Å; I702-M704 PolarHBondContact O-N 3.37Å; M704-N943 HydrophobicContact SD-CB 3.71Å; M704-N943 VanDerWaalsContact SD-CG 3.58Å; M704-W946 HydrophobicContact CB-CZ3 4.02Å; M704-W946 HydrophobicContact CG-CE3 4.21Å; M704-W946 HydrophobicContact CG-CZ3 4.04Å; M704-V947 HydrophobicContact CB-CG2 4.01Å; M704-V947 HydrophobicContact CG-CG2 4.28Å; M704-V947 HydrophobicContact SD-CG2 4.23Å
705	F	97.1	Very high	96.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-115.3	-9.6	-169.6	-64.9	-50.7	0	0	0	115.8	Y701 I702 R707 T708 V710 Y711 W946 V947 K951 V954	Y701-F705 HydrophobicContact CD1-CE2 4.23Å; Y701-F705 VanDerWaalsContact O-CB 3.27Å; Y701-F705 WeakPolarHBondContact O-CB 3.19Å; Y701-F705 VanDerWaalsContact O-CD2 3.22Å; Y701-F705 WeakPolarHBondContact O-CD2 3.35Å; Y701-F705 PolarHBondContact O-N 3.01Å; I702-F705 PolarHBondContact O-N 2.58Å; F705-R707 PolarHBondContact O-N 3.47Å; F705-T708 WeakPolarHBondContact CA-OG1 3.26Å; F705-T708 HydrophobicContact CD1-CG2 4.44Å; F705-T708 PolarHBondContact O-N 3.41Å; F705-T708 PolarHBondContact O-OG1 3.29Å; F705-V710 HydrophobicContact CB-CB 3.94Å; F705-V710 HydrophobicContact CB-CG1 4.16Å; F705-V710 HydrophobicContact CD1-CB 3.95Å; F705-V710 HydrophobicContact CD1-CG1 4.27Å; F705-V710 HydrophobicContact CD1-CG2 3.9Å; F705-V710 HydrophobicContact CD2-CB 4.42Å; F705-V710 HydrophobicContact CD2-CG1 3.91Å; F705-V710 HydrophobicContact CE1-CG2 4.19Å; F705-V710 HydrophobicContact CE2-CG1 4.38Å; F705-V710 HydrophobicContact CG-CB 3.85Å; F705-V710 HydrophobicContact CG-CG1 3.86Å; F705-V710 HydrophobicContact CG-CG2 4.31Å; F705-Y711 WeakPolarHBondContact O-CB 3.43Å; F705-W946 HydrophobicContact CE1-CZ3 4.47Å; F705-W946 AromaticContact CE2-CH2 3.59Å; F705-W946 HydrophobicContact CE2-CH2 3.59Å; F705-W946 AromaticContact CE2-CZ3 3.54Å; F705-W946 HydrophobicContact CE2-CZ3 3.54Å; F705-W946 HydrophobicContact CZ-CE3 4.49Å; F705-W946 AromaticContact CZ-CH2 3.9Å; F705-W946 HydrophobicContact CZ-CH2 3.9Å; F705-W946 AromaticContact CZ-CZ3 3.49Å; F705-W946 HydrophobicContact CZ-CZ3 3.49Å; F705-W946 VanDerWaalsContact CZ-CZ3 3.49Å; F705-V947 HydrophobicContact CE1-CG1 4.26Å; F705-V947 HydrophobicContact CE1-CG2 4.47Å; F705-K951 HydrophobicContact CE1-CB 4.06Å; F705-K951 HydrophobicContact CE1-CG 4Å; F705-K951 HydrophobicContact CZ-CB 4.41Å; F705-V954 HydrophobicContact CD2-CG1 4.35Å; F705-V954 HydrophobicContact CE2-CB 4.32Å; F705-V954 HydrophobicContact CE2-CG1 3.8Å; F705-V954 HydrophobicContact CE2-CG2 4.48Å; F705-V954 HydrophobicContact CZ-CG1 4.45Å
706	D	95.3	Very high	96.3	Very high	22 Å²	22	38.7 Å²	38.7	12%	0.118	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-4.7	-178.4	66.9	1.1	0	0	0	115.1	I702 Y711 R904	I702-D706 HydrophobicContact CG2-CB 4.38Å; I702-D706 WeakPolarHBondContact O-CA 3.36Å; I702-D706 WeakPolarHBondContact O-CB 3.32Å; I702-D706 PolarHBondContact O-N 3.26Å; D706-Y711 HydrophobicContact CB-CD2 4Å; D706-Y711 HydrophobicContact CB-CE2 3.96Å; D706-Y711 HydrophobicContact CB-CG 4.43Å; D706-R904 IonicContact OD1-NE 2.9Å; D706-R904 IonicContact OD2-CZ 3.22Å; D706-R904 IonicContact OD2-NE 3.96Å; D706-R904 PolarHBondContact OD2-NE 2.89Å; D706-R904 IonicContact OD2-NH2 2.8Å; D706-R904 PolarHBondContact OD2-NH2 3.28Å
707	R	95.4	Very high	96.4	Very high	97 Å²	97	34.7 Å²	34.7	37%	0.366	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	17.8	175.2	-60.3	176.7	-64.7	156	-1.7	113.5	F705 V866 R904 E910	F705-R707 PolarHBondContact O-N 3.47Å; R707-V866 HydrophobicContact CG-CG2 3.6Å; R707-R904 PolarHBondContact NH2-O 2.77Å; R707-E910 IonicContact CZ-OE1 3.04Å; R707-E910 VanDerWaalsContact CZ-OE1 3.27Å; R707-E910 IonicContact NH1-OE1 3.3Å; R707-E910 PolarHBondContact NH1-OE1 2.97Å; R707-E910 IonicContact NH2-OE1 3.87Å; R707-E910 PolarHBondContact NH2-OE1 2.92Å; R707-E910 IonicContact NH2-OE2 3.57Å
708	T	96.6	Very high	96.5	Very high	43 Å²	43	34.2 Å²	34.2	26%	0.264	17%	0.174	S	C	.	.	S	Bend	trans	-133.5	170.4	-173.9	74.2	0	0	0	0	112.1	F705 V710 Y711	F705-T708 WeakPolarHBondContact CA-OG1 3.26Å; F705-T708 HydrophobicContact CD1-CG2 4.44Å; F705-T708 PolarHBondContact O-N 3.41Å; F705-T708 PolarHBondContact O-OG1 3.29Å; T708-V710 PolarHBondContact O-N 3.18Å; T708-V710 PolarHBondContact OG1-N 2.97Å; T708-Y711 PolarHBondContact O-N 3.29Å
709	E	96.7	Very high	96.5	Very high	115 Å²	115	37.3 Å²	37.3	54%	0.537	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19	176.8	67.4	-87.1	-154.4	0	0	114.2	Y711 P713 K951 L955	E709-Y711 PolarHBondContact O-N 2.81Å; E709-P713 WeakPolarHBondContact O-CD 3.13Å; E709-K951 WeakPolarHBondContact OE1-CE 3.35Å; E709-K951 IonicContact OE1-NZ 3.94Å; E709-K951 PolarHBondContact OE1-NZ 3.45Å; E709-K951 WeakPolarHBondContact OE2-CE 3.41Å; E709-K951 IonicContact OE2-NZ 2.72Å; E709-K951 PolarHBondContact OE2-NZ 2.81Å; E709-L955 HydrophobicContact CG-CD2 4.24Å
710	V	97.9	Very high	96.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-24.5	178.4	-175.8	0	0	0	0	112	F705 T708 G712 P713 L714 K951 V954 L955 F958	F705-V710 HydrophobicContact CB-CB 3.94Å; F705-V710 HydrophobicContact CB-CG1 4.16Å; F705-V710 HydrophobicContact CD1-CB 3.95Å; F705-V710 HydrophobicContact CD1-CG1 4.27Å; F705-V710 HydrophobicContact CD1-CG2 3.9Å; F705-V710 HydrophobicContact CD2-CB 4.42Å; F705-V710 HydrophobicContact CD2-CG1 3.91Å; F705-V710 HydrophobicContact CE1-CG2 4.19Å; F705-V710 HydrophobicContact CE2-CG1 4.38Å; F705-V710 HydrophobicContact CG-CB 3.85Å; F705-V710 HydrophobicContact CG-CG1 3.86Å; F705-V710 HydrophobicContact CG-CG2 4.31Å; T708-V710 PolarHBondContact O-N 3.18Å; T708-V710 PolarHBondContact OG1-N 2.97Å; V710-G712 VanDerWaalsContact C-N 3.34Å; V710-G712 PolarHBondContact O-N 3.38Å; V710-P713 WeakPolarHBondContact O-CD 3.45Å; V710-L714 WeakPolarHBondContact O-CB 3.2Å; V710-L714 PolarHBondContact O-N 2.91Å; V710-L714 VanDerWaalsContact O-N 3.11Å; V710-K951 HydrophobicContact CG2-CG 3.87Å; V710-V954 HydrophobicContact CG1-CG1 3.9Å; V710-L955 HydrophobicContact CG2-CB 4.1Å; V710-L955 HydrophobicContact CG2-CD1 4.28Å; V710-F958 HydrophobicContact CG1-CD2 4.25Å
711	Y	97.3	Very high	96.7	Very high	59 Å²	59	35.2 Å²	35.2	23%	0.231	18%	0.183	C	C	.	.	H	α-helix	trans	-66.6	-32.8	-173.1	-166.5	-121.3	0	0	0	113.8	I702 F705 D706 T708 E709 L714 Q715	I702-Y711 HydrophobicContact CG2-CE2 4.19Å; F705-Y711 WeakPolarHBondContact O-CB 3.43Å; D706-Y711 HydrophobicContact CB-CD2 4Å; D706-Y711 HydrophobicContact CB-CE2 3.96Å; D706-Y711 HydrophobicContact CB-CG 4.43Å; T708-Y711 PolarHBondContact O-N 3.29Å; E709-Y711 PolarHBondContact O-N 2.81Å; Y711-L714 HydrophobicContact CD2-CD2 4.32Å; Y711-L714 HydrophobicContact CE2-CD2 4.32Å; Y711-Q715 VanDerWaalsContact O-CA 3.31Å; Y711-Q715 WeakPolarHBondContact O-CA 3.12Å; Y711-Q715 PolarHBondContact O-N 3.42Å
712	G	96.9	Very high	96.8	Very high	43 Å²	43	35.2 Å²	35.2	44%	0.443	18%	0.182	S	C	.	.	H	α-helix	trans	-62.8	-54.2	178.9	0	0	0	0	0	112.8	V710 Q715 A716	V710-G712 VanDerWaalsContact C-N 3.34Å; V710-G712 PolarHBondContact O-N 3.38Å; G712-Q715 VanDerWaalsContact O-CA 3.24Å; G712-Q715 WeakPolarHBondContact O-CA 3.45Å; G712-Q715 PolarHBondContact O-N 2.89Å; G712-A716 PolarHBondContact O-N 3.33Å
713	P	97.9	Very high	96.9	Very high	27 Å²	27	37 Å²	37	18%	0.175	19%	0.191	C	C	.	.	H	α-helix	trans	-61.6	-41.4	173.4	-27.8	36.9	0	0	0	114	E709 V710 A716 Y717 L955 F958 T962	E709-P713 WeakPolarHBondContact O-CD 3.13Å; V710-P713 WeakPolarHBondContact O-CD 3.45Å; P713-A716 PolarHBondContact O-N 2.95Å; P713-Y717 PolarHBondContact O-N 3.47Å; P713-L955 HydrophobicContact CG-CD1 4.11Å; P713-F958 HydrophobicContact CB-CB 3.68Å; P713-T962 WeakPolarHBondContact O-CG2 3.44Å
714	L	97.1	Very high	97	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-59.2	-49.4	174.6	-177.7	160.3	0	0	0	110.7	I702 V710 Y711 A716 Y717 L718 F958	I702-L714 HydrophobicContact CG1-CD2 3.86Å; V710-L714 WeakPolarHBondContact O-CB 3.2Å; V710-L714 PolarHBondContact O-N 2.91Å; V710-L714 VanDerWaalsContact O-N 3.11Å; Y711-L714 HydrophobicContact CD2-CD2 4.32Å; Y711-L714 HydrophobicContact CE2-CD2 4.32Å; L714-A716 PolarHBondContact O-N 2.91Å; L714-Y717 PolarHBondContact O-N 3.47Å; L714-L718 HydrophobicContact CD2-CD1 3.51Å; L714-L718 HydrophobicContact CD2-CG 4.08Å; L714-L718 HydrophobicContact CG-CD1 4.4Å; L714-L718 WeakPolarHBondContact O-CG 3.1Å; L714-L718 PolarHBondContact O-N 3.47Å; L714-F958 HydrophobicContact CB-CD2 3.95Å; L714-F958 HydrophobicContact CB-CE2 3.95Å; L714-F958 HydrophobicContact CB-CG 4.3Å; L714-F958 HydrophobicContact CB-CZ 4.32Å; L714-F958 HydrophobicContact CD1-CE2 3.77Å; L714-F958 HydrophobicContact CD1-CZ 4.04Å; L714-F958 HydrophobicContact CG-CD2 4.41Å; L714-F958 HydrophobicContact CG-CE1 4.42Å; L714-F958 HydrophobicContact CG-CE2 3.9Å; L714-F958 HydrophobicContact CG-CZ 3.92Å
715	Q	96.6	Very high	97.1	Very high	64 Å²	64	38.1 Å²	38.1	30%	0.299	20%	0.198	S	C	.	.	H	α-helix	trans	-17.7	-79.3	153.6	174.7	-126.2	91.4	0	0	114.2	Y711 G712 Y717 L718 K719 M759	Y711-Q715 VanDerWaalsContact O-CA 3.31Å; Y711-Q715 WeakPolarHBondContact O-CA 3.12Å; Y711-Q715 PolarHBondContact O-N 3.42Å; G712-Q715 VanDerWaalsContact O-CA 3.24Å; G712-Q715 WeakPolarHBondContact O-CA 3.45Å; G712-Q715 PolarHBondContact O-N 2.89Å; Q715-Y717 PolarHBondContact O-N 2.85Å; Q715-L718 PolarHBondContact O-N 3.35Å; Q715-K719 WeakPolarHBondContact O-CB 3.3Å; Q715-K719 PolarHBondContact O-N 2.64Å; Q715-M759 HydrophobicContact CB-SD 3.72Å; Q715-M759 HydrophobicContact CG-CB 4.25Å; Q715-M759 WeakPolarHBondContact CG-O 3.41Å; Q715-M759 HydrophobicContact CG-SD 4.16Å
716	A	97.1	Very high	97.1	Very high	47 Å²	47	38.2 Å²	38.2	39%	0.388	20%	0.199	S	C	.	.	H	α-helix	trans	-65.3	-36.9	-172.8	0	0	0	0	0	112.5	G712 P713 L714 K720 T962	G712-A716 PolarHBondContact O-N 3.33Å; P713-A716 PolarHBondContact O-N 2.95Å; L714-A716 PolarHBondContact O-N 2.91Å; A716-K720 PolarHBondContact O-N 2.9Å; A716-T962 HydrophobicContact CB-CG2 3.55Å
717	Y	97.9	Very high	97.2	Very high	3 Å²	3	41.8 Å²	41.8	1%	0.012	22%	0.215	C	C	.	.	H	α-helix	trans	-63.8	-51.2	175.9	173.5	-101.5	0	0	0	111.7	T679 Q680 P713 L714 Q715 K719 K720 Q721 W957 F958 Q961	T679-Y717 VanDerWaalsContact C-OH 3.29Å; T679-Y717 PolarHBondContact O-OH 3.34Å; T679-Y717 PolarHBondContact OG1-OH 3.35Å; Q680-Y717 PolarHBondContact N-OH 2.95Å; P713-Y717 PolarHBondContact O-N 3.47Å; L714-Y717 PolarHBondContact O-N 3.47Å; Q715-Y717 PolarHBondContact O-N 2.85Å; Y717-K719 VanDerWaalsContact C-N 3.29Å; Y717-K719 PolarHBondContact O-N 3.49Å; Y717-K720 WeakPolarHBondContact O-CB 3.41Å; Y717-K720 PolarHBondContact O-N 3.1Å; Y717-K720 VanDerWaalsContact O-N 3.13Å; Y717-Q721 HydrophobicContact CD1-CG 4.28Å; Y717-Q721 HydrophobicContact CD2-CG 4.37Å; Y717-Q721 HydrophobicContact CE1-CG 3.77Å; Y717-Q721 HydrophobicContact CE2-CG 3.85Å; Y717-Q721 WeakPolarHBondContact O-CG 3.47Å; Y717-Q721 PolarHBondContact O-N 2.83Å; Y717-W957 HydrophobicContact CD1-CZ3 4.19Å; Y717-W957 HydrophobicContact CD2-CH2 4.4Å; Y717-W957 HydrophobicContact CD2-CZ3 4.14Å; Y717-W957 HydrophobicContact CE1-CH2 4.07Å; Y717-W957 AromaticContact CE1-CZ3 3.97Å; Y717-W957 HydrophobicContact CE1-CZ3 3.97Å; Y717-W957 AromaticContact CE2-CH2 3.75Å; Y717-W957 HydrophobicContact CE2-CH2 3.75Å; Y717-W957 AromaticContact CE2-CZ3 3.94Å; Y717-W957 HydrophobicContact CE2-CZ3 3.94Å; Y717-W957 HydrophobicContact CG-CZ3 4.26Å; Y717-W957 AromaticContact CZ-CH2 3.56Å; Y717-W957 AromaticContact CZ-CZ3 3.86Å; Y717-F958 AromaticContact CD1-CD1 3.81Å; Y717-F958 HydrophobicContact CD1-CD1 3.81Å; Y717-F958 AromaticContact CD1-CE1 3.47Å; Y717-F958 HydrophobicContact CD1-CE1 3.47Å; Y717-F958 VanDerWaalsContact CD1-CE1 3.47Å; Y717-F958 HydrophobicContact CE1-CE1 4.07Å; Y717-F958 AromaticContact CG-CD1 3.78Å; Y717-F958 HydrophobicContact CG-CD1 3.78Å; Y717-F958 AromaticContact CG-CE1 3.96Å; Y717-F958 HydrophobicContact CG-CE1 3.96Å; Y717-Q961 HydrophobicContact CD2-CB 3.69Å; Y717-Q961 HydrophobicContact CD2-CG 4.29Å; Y717-Q961 HydrophobicContact CE2-CB 4.13Å; Y717-Q961 HydrophobicContact CE2-CG 4.31Å
718	L	97.3	Very high	97.3	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.037	21%	0.212	C	C	.	.	H	α-helix	trans	-65.4	-35.2	-179.6	-66.5	-174.3	0	0	0	112.1	L698 I702 L714 Q715 Q721 I722 M755 M759	L698-L718 HydrophobicContact CD1-CD2 3.69Å; L698-L718 HydrophobicContact CD2-CD2 4.5Å; I702-L718 HydrophobicContact CD1-CD1 4.02Å; I702-L718 HydrophobicContact CG1-CD1 4.41Å; L714-L718 HydrophobicContact CD2-CD1 3.51Å; L714-L718 HydrophobicContact CD2-CG 4.08Å; L714-L718 HydrophobicContact CG-CD1 4.4Å; L714-L718 WeakPolarHBondContact O-CG 3.1Å; L714-L718 PolarHBondContact O-N 3.47Å; Q715-L718 PolarHBondContact O-N 3.35Å; L718-Q721 PolarHBondContact O-N 3.49Å; L718-I722 WeakPolarHBondContact O-CB 3.41Å; L718-I722 VanDerWaalsContact O-CG2 3.28Å; L718-I722 WeakPolarHBondContact O-CG2 3.18Å; L718-I722 PolarHBondContact O-N 3.43Å; L718-M755 HydrophobicContact CD1-SD 4.38Å; L718-M759 HydrophobicContact CB-CG 3.85Å; L718-M759 HydrophobicContact CB-SD 3.78Å; L718-M759 HydrophobicContact CD1-SD 3.83Å; L718-M759 HydrophobicContact CG-SD 4.42Å
719	K	97.3	Very high	97.3	Very high	67 Å²	67	38.9 Å²	38.9	29%	0.291	20%	0.199	S	C	.	.	H	α-helix	trans	-55.7	-51	170.3	-178.1	174.6	173.2	169.4	0	111.2	Q715 Y717 Q721 I722 E723 M759 G760 V761	Q715-K719 WeakPolarHBondContact O-CB 3.3Å; Q715-K719 PolarHBondContact O-N 2.64Å; Y717-K719 VanDerWaalsContact C-N 3.29Å; Y717-K719 PolarHBondContact O-N 3.49Å; K719-Q721 VanDerWaalsContact C-N 3.31Å; K719-Q721 PolarHBondContact O-N 3.32Å; K719-I722 PolarHBondContact O-N 3.03Å; K719-E723 VanDerWaalsContact O-CB 3.31Å; K719-E723 WeakPolarHBondContact O-CB 3.01Å; K719-E723 PolarHBondContact O-N 3.43Å; K719-E723 VanDerWaalsContact O-N 3.07Å; K719-M759 HydrophobicContact CB-CB 4.17Å; K719-G760 PolarHBondContact NZ-O 3.42Å; K719-V761 HydrophobicContact CG-CG2 3.92Å
720	K	96.4	Very high	97.2	Very high	92 Å²	92	36.3 Å²	36.3	40%	0.4	19%	0.187	S	C	.	.	H	α-helix	trans	-59.1	-38.6	177.3	179.1	-179.7	178.9	177.8	0	112.8	A716 Y717 P724 K964	A716-K720 PolarHBondContact O-N 2.9Å; Y717-K720 WeakPolarHBondContact O-CB 3.41Å; Y717-K720 PolarHBondContact O-N 3.1Å; Y717-K720 VanDerWaalsContact O-N 3.13Å; K720-P724 WeakPolarHBondContact O-CD 3.41Å; K720-K964 PolarHBondContact NZ-OXT 3.39Å
721	Q	97.3	Very high	97.1	Very high	11 Å²	11	41.4 Å²	41.4	5%	0.051	22%	0.219	C	C	.	.	H	α-helix	trans	-72.9	-39.6	179.8	-63.3	-55.7	105.4	0	0	112.9	T679 Q680 W691 Y717 L718 K719	T679-Q721 PolarHBondContact O-NE2 3.04Å; Q680-Q721 PolarHBondContact O-NE2 3.13Å; W691-Q721 HydrophobicContact CH2-CB 4.17Å; W691-Q721 WeakPolarHBondContact CH2-O 3.26Å; Y717-Q721 HydrophobicContact CD1-CG 4.28Å; Y717-Q721 HydrophobicContact CD2-CG 4.37Å; Y717-Q721 HydrophobicContact CE1-CG 3.77Å; Y717-Q721 HydrophobicContact CE2-CG 3.85Å; Y717-Q721 WeakPolarHBondContact O-CG 3.47Å; Y717-Q721 PolarHBondContact O-N 2.83Å; L718-Q721 PolarHBondContact O-N 3.49Å; K719-Q721 VanDerWaalsContact C-N 3.31Å; K719-Q721 PolarHBondContact O-N 3.32Å
722	I	97.6	Very high	97	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-85.7	-27.4	-172.1	-161.3	69.5	0	0	0	113.8	W691 L718 K719 L725 F726 M755 A756 V761	W691-I722 HydrophobicContact CE3-CD1 4.12Å; W691-I722 HydrophobicContact CH2-CB 4.49Å; W691-I722 HydrophobicContact CH2-CD1 3.71Å; W691-I722 HydrophobicContact CZ2-CD1 4.25Å; W691-I722 HydrophobicContact CZ3-CD1 3.65Å; L718-I722 WeakPolarHBondContact O-CB 3.41Å; L718-I722 VanDerWaalsContact O-CG2 3.28Å; L718-I722 WeakPolarHBondContact O-CG2 3.18Å; L718-I722 PolarHBondContact O-N 3.43Å; K719-I722 PolarHBondContact O-N 3.03Å; I722-L725 HydrophobicContact CD1-CB 4.43Å; I722-L725 HydrophobicContact CD1-CD2 3.99Å; I722-L725 WeakPolarHBondContact O-CB 3.37Å; I722-L725 PolarHBondContact O-N 3.42Å; I722-F726 PolarHBondContact O-N 2.87Å; I722-M755 HydrophobicContact CB-CG 4.09Å; I722-M755 HydrophobicContact CD1-CB 3.94Å; I722-M755 HydrophobicContact CD1-CG 4.01Å; I722-M755 HydrophobicContact CG1-CB 3.8Å; I722-M755 HydrophobicContact CG1-CG 3.82Å; I722-M755 HydrophobicContact CG2-CG 4.32Å; I722-A756 HydrophobicContact CG2-CB 4.27Å; I722-V761 HydrophobicContact CG2-CG2 4.29Å
723	E	97.1	Very high	96.9	Very high	64 Å²	64	39.9 Å²	39.9	30%	0.299	21%	0.207	S	C	.	.	H	α-helix	trans	-54.3	-44.3	-176.2	-173.8	160.6	-136.9	0	0	113.1	K719 L725 F726 E727	K719-E723 VanDerWaalsContact O-CB 3.31Å; K719-E723 WeakPolarHBondContact O-CB 3.01Å; K719-E723 PolarHBondContact O-N 3.43Å; K719-E723 VanDerWaalsContact O-N 3.07Å; E723-L725 VanDerWaalsContact C-N 3.31Å; E723-L725 PolarHBondContact O-N 2.95Å; E723-F726 WeakPolarHBondContact O-CB 3.31Å; E723-F726 PolarHBondContact O-N 2.96Å; E723-F726 VanDerWaalsContact O-N 3.16Å; E723-E727 WeakPolarHBondContact O-CG 3.42Å; E723-E727 PolarHBondContact O-N 3.37Å
724	P	97.8	Very high	96.6	Very high	38 Å²	38	42.4 Å²	42.4	25%	0.247	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-32.7	175.1	-25.1	35.8	0	0	0	114.7	K720 Y728	K720-P724 WeakPolarHBondContact O-CD 3.41Å; P724-Y728 VanDerWaalsContact O-CB 3.29Å; P724-Y728 WeakPolarHBondContact O-CB 3.46Å; P724-Y728 PolarHBondContact O-N 3.42Å
725	L	97.9	Very high	96.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-73.5	-39	176.5	-173.6	70.4	0	0	0	110.7	W691 I722 E723 Y728 F729 A752	W691-L725 HydrophobicContact CD2-CD2 4.04Å; W691-L725 HydrophobicContact CG-CD2 4.13Å; W691-L725 HydrophobicContact CZ2-CB 4.24Å; W691-L725 HydrophobicContact CZ2-CD2 4.18Å; I722-L725 HydrophobicContact CD1-CB 4.43Å; I722-L725 HydrophobicContact CD1-CD2 3.99Å; I722-L725 WeakPolarHBondContact O-CB 3.37Å; I722-L725 PolarHBondContact O-N 3.42Å; E723-L725 VanDerWaalsContact C-N 3.31Å; E723-L725 PolarHBondContact O-N 2.95Å; L725-Y728 HydrophobicContact CD1-CD1 4.43Å; L725-Y728 WeakPolarHBondContact O-CB 3.37Å; L725-Y728 PolarHBondContact O-N 3.41Å; L725-F729 HydrophobicContact CD1-CD2 4.2Å; L725-F729 HydrophobicContact CD1-CE2 3.77Å; L725-F729 HydrophobicContact CD2-CE2 4.44Å; L725-F729 HydrophobicContact CG-CD2 4.05Å; L725-F729 HydrophobicContact CG-CE2 3.95Å; L725-F729 WeakPolarHBondContact O-CD2 3.42Å; L725-F729 PolarHBondContact O-N 3.5Å; L725-A752 HydrophobicContact CB-CB 4.47Å; L725-A752 HydrophobicContact CD2-CB 3.75Å; L725-A752 HydrophobicContact CG-CB 3.83Å
726	F	97.7	Very high	96.1	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.009	23%	0.23	C	C	.	.	H	α-helix	trans	-61.1	-48.1	174.7	179.3	-91.7	0	0	0	111.5	I722 E723 Y728 F729 E730 W736 V753 A756 V761 S763 C764	I722-F726 PolarHBondContact O-N 2.87Å; E723-F726 WeakPolarHBondContact O-CB 3.31Å; E723-F726 PolarHBondContact O-N 2.96Å; E723-F726 VanDerWaalsContact O-N 3.16Å; F726-Y728 PolarHBondContact O-N 2.89Å; F726-F729 PolarHBondContact O-N 2.9Å; F726-E730 PolarHBondContact O-N 3.45Å; F726-W736 HydrophobicContact CD1-CZ2 4.3Å; F726-W736 AromaticContact CD2-CH2 3.86Å; F726-W736 HydrophobicContact CD2-CH2 3.86Å; F726-W736 AromaticContact CD2-CZ2 3.9Å; F726-W736 HydrophobicContact CD2-CZ2 3.9Å; F726-W736 AromaticContact CE1-CZ2 3.87Å; F726-W736 HydrophobicContact CE1-CZ2 3.87Å; F726-W736 AromaticContact CE2-CH2 3.74Å; F726-W736 HydrophobicContact CE2-CH2 3.74Å; F726-W736 AromaticContact CE2-CZ2 3.45Å; F726-W736 HydrophobicContact CE2-CZ2 3.45Å; F726-W736 VanDerWaalsContact CE2-CZ2 3.45Å; F726-W736 HydrophobicContact CG-CH2 4.43Å; F726-W736 HydrophobicContact CG-CZ2 4.31Å; F726-W736 HydrophobicContact CZ-CH2 4.2Å; F726-W736 AromaticContact CZ-CZ2 3.43Å; F726-W736 HydrophobicContact CZ-CZ2 3.43Å; F726-W736 VanDerWaalsContact CZ-CZ2 3.43Å; F726-V753 HydrophobicContact CD2-CG2 4.38Å; F726-V753 HydrophobicContact CE2-CG2 4.22Å; F726-A756 HydrophobicContact CB-CB 4.01Å; F726-A756 HydrophobicContact CD2-CB 3.52Å; F726-A756 HydrophobicContact CE2-CB 4.22Å; F726-A756 HydrophobicContact CG-CB 3.87Å; F726-V761 HydrophobicContact CD1-CG1 4.39Å; F726-S763 VanDerWaalsContact CE1-OG 3.29Å; F726-S763 WeakPolarHBondContact CE1-OG 3.12Å; F726-C764 HydrophobicContact CD2-CB 4.4Å; F726-C764 HydrophobicContact CE2-CB 3.68Å; F726-C764 HydrophobicContact CZ-CB 3.75Å
727	E	96.7	Very high	95.6	Very high	97 Å²	97	46.5 Å²	46.5	45%	0.453	24%	0.243	S	C	.	.	H	α-helix	trans	-65	-36.8	177.2	-69.6	176.4	171	0	0	112.7	E723 E730 T731	E723-E727 WeakPolarHBondContact O-CG 3.42Å; E723-E727 PolarHBondContact O-N 3.37Å; E727-E730 PolarHBondContact O-N 3.28Å; E727-T731 WeakPolarHBondContact O-CB 3.33Å; E727-T731 PolarHBondContact O-N 3.35Å; E727-T731 PolarHBondContact O-OG1 2.88Å
728	Y	97.3	Very high	95.2	Very high	79 Å²	79	52.7 Å²	52.7	31%	0.31	27%	0.27	S	S	.	.	H	α-helix	trans	-57.2	-50.6	172.2	169.3	-100	0	0	0	110.6	P724 L725 F726 T731 V732	P724-Y728 VanDerWaalsContact O-CB 3.29Å; P724-Y728 WeakPolarHBondContact O-CB 3.46Å; P724-Y728 PolarHBondContact O-N 3.42Å; L725-Y728 HydrophobicContact CD1-CD1 4.43Å; L725-Y728 WeakPolarHBondContact O-CB 3.37Å; L725-Y728 PolarHBondContact O-N 3.41Å; F726-Y728 PolarHBondContact O-N 2.89Å; Y728-T731 WeakPolarHBondContact O-CB 3.37Å; Y728-T731 PolarHBondContact O-N 3.38Å; Y728-V732 HydrophobicContact CD2-CG1 4.11Å; Y728-V732 HydrophobicContact CE1-CG1 4.36Å; Y728-V732 HydrophobicContact CE1-CG2 4.19Å; Y728-V732 HydrophobicContact CE2-CG1 3.64Å; Y728-V732 WeakPolarHBondContact O-CG2 3.48Å; Y728-V732 PolarHBondContact O-N 3.23Å
729	F	97.2	Very high	94.9	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-66.3	-39.1	178.5	-81.5	-62.4	0	0	0	112.9	L725 F726 T731 V732 T733 W736 P740 D745 N748 Q749 A752	L725-F729 HydrophobicContact CD1-CD2 4.2Å; L725-F729 HydrophobicContact CD1-CE2 3.77Å; L725-F729 HydrophobicContact CD2-CE2 4.44Å; L725-F729 HydrophobicContact CG-CD2 4.05Å; L725-F729 HydrophobicContact CG-CE2 3.95Å; L725-F729 WeakPolarHBondContact O-CD2 3.42Å; L725-F729 PolarHBondContact O-N 3.5Å; F726-F729 PolarHBondContact O-N 2.9Å; F729-T731 PolarHBondContact O-N 3.34Å; F729-V732 HydrophobicContact CD1-CG2 3.95Å; F729-V732 PolarHBondContact O-N 2.74Å; F729-T733 VanDerWaalsContact O-CB 3.25Å; F729-T733 WeakPolarHBondContact O-CB 3.29Å; F729-T733 VanDerWaalsContact O-CG2 3.24Å; F729-T733 WeakPolarHBondContact O-CG2 3.48Å; F729-T733 PolarHBondContact O-N 2.84Å; F729-T733 PolarHBondContact O-OG1 3.25Å; F729-W736 HydrophobicContact CB-CH2 3.74Å; F729-W736 HydrophobicContact CB-CZ3 3.77Å; F729-P740 HydrophobicContact CD1-CG 4.27Å; F729-P740 HydrophobicContact CE1-CG 4.15Å; F729-D745 HydrophobicContact CE1-CB 4.12Å; F729-D745 WeakPolarHBondContact CE1-O 3.21Å; F729-D745 HydrophobicContact CZ-CB 4.41Å; F729-D745 WeakPolarHBondContact CZ-O 3.25Å; F729-N748 VanDerWaalsContact CE2-C 3.48Å; F729-N748 HydrophobicContact CE2-CB 3.97Å; F729-N748 HydrophobicContact CZ-CB 3.86Å; F729-Q749 HydrophobicContact CB-CG 4.12Å; F729-Q749 HydrophobicContact CD1-CB 3.78Å; F729-Q749 HydrophobicContact CD1-CG 3.94Å; F729-Q749 HydrophobicContact CD2-CB 4.23Å; F729-Q749 HydrophobicContact CE1-CB 3.92Å; F729-Q749 HydrophobicContact CE2-CB 4.33Å; F729-Q749 HydrophobicContact CG-CB 3.96Å; F729-Q749 HydrophobicContact CG-CG 3.93Å; F729-Q749 HydrophobicContact CZ-CB 4.21Å; F729-A752 HydrophobicContact CD2-CB 3.71Å; F729-A752 HydrophobicContact CE2-CB 4.27Å
730	E	95.2	Very high	94.7	Very high	61 Å²	61	53.1 Å²	53.1	29%	0.285	28%	0.279	S	S	.	.	H	α-helix	trans	-53.6	-43.6	171.7	-176	170.2	-155.4	0	0	111.3	F726 E727 N735 W736	F726-E730 PolarHBondContact O-N 3.45Å; E727-E730 PolarHBondContact O-N 3.28Å; E730-N735 WeakPolarHBondContact O-CA 3.16Å; E730-N735 PolarHBondContact O-N 3.06Å; E730-W736 HydrophobicContact CB-CH2 4.45Å; E730-W736 HydrophobicContact CB-CZ2 3.6Å; E730-W736 HydrophobicContact CG-CZ2 4.33Å
731	T	95.4	Very high	94.4	Very high	107 Å²	107	56.2 Å²	56.2	66%	0.656	30%	0.298	S	S	*	.	H	α-helix	trans	-69.7	-55.7	-179.3	-56.9	0	0	0	0	112.1	E727 Y728 F729 T733 T734	E727-T731 WeakPolarHBondContact O-CB 3.33Å; E727-T731 PolarHBondContact O-N 3.35Å; E727-T731 PolarHBondContact O-OG1 2.88Å; Y728-T731 WeakPolarHBondContact O-CB 3.37Å; Y728-T731 PolarHBondContact O-N 3.38Å; F729-T731 PolarHBondContact O-N 3.34Å; T731-T733 PolarHBondContact O-N 2.7Å; T731-T734 PolarHBondContact O-N 2.93Å; T731-T734 VanDerWaalsContact O-N 3.07Å
732	V	95.2	Very high	94.1	Very high	70 Å²	70	59.8 Å²	59.8	42%	0.424	32%	0.315	S	S	.	.	H	α-helix	trans	-69.1	-23.4	-173.6	-57.5	0	0	0	0	112.7	Y728 F729 T734	Y728-V732 HydrophobicContact CD2-CG1 4.11Å; Y728-V732 HydrophobicContact CE1-CG1 4.36Å; Y728-V732 HydrophobicContact CE1-CG2 4.19Å; Y728-V732 HydrophobicContact CE2-CG1 3.64Å; Y728-V732 WeakPolarHBondContact O-CG2 3.48Å; Y728-V732 PolarHBondContact O-N 3.23Å; F729-V732 HydrophobicContact CD1-CG2 3.95Å; F729-V732 PolarHBondContact O-N 2.74Å; V732-T734 VanDerWaalsContact C-N 3.31Å
733	T	94.1	Very high	93.9	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.006	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	6.8	176.2	64.1	0	0	0	0	113.5	F729 T731 W736 T737 K738 P740	F729-T733 VanDerWaalsContact O-CB 3.25Å; F729-T733 WeakPolarHBondContact O-CB 3.29Å; F729-T733 VanDerWaalsContact O-CG2 3.24Å; F729-T733 WeakPolarHBondContact O-CG2 3.48Å; F729-T733 PolarHBondContact O-N 2.84Å; F729-T733 PolarHBondContact O-OG1 3.25Å; T731-T733 PolarHBondContact O-N 2.7Å; T733-W736 PolarHBondContact O-N 2.84Å; T733-W736 VanDerWaalsContact OG1-CA 3.25Å; T733-W736 WeakPolarHBondContact OG1-CA 3.4Å; T733-W736 PolarHBondContact OG1-N 2.97Å; T733-T737 PolarHBondContact O-N 3.36Å; T733-T737 PolarHBondContact O-OG1 3.22Å; T733-K738 WeakPolarHBondContact CB-O 3.32Å; T733-K738 WeakPolarHBondContact CG2-O 3.29Å; T733-K738 PolarHBondContact O-N 2.86Å; T733-P740 HydrophobicContact CG2-CG 4.02Å
734	T	92.7	Very high	93.7	Very high	79 Å²	79	58.3 Å²	58.3	49%	0.485	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	59.2	-177.2	-46.6	0	0	0	0	110.7	T731 V732 T737	T731-T734 PolarHBondContact O-N 2.93Å; T731-T734 VanDerWaalsContact O-N 3.07Å; V732-T734 VanDerWaalsContact C-N 3.31Å; T734-T737 WeakPolarHBondContact O-CG2 3.48Å; T734-T737 PolarHBondContact O-N 3.28Å; T734-T737 PolarHBondContact O-OG1 2.82Å
735	N	91.3	Very high	93.6	Very high	84 Å²	84	58.1 Å²	58.1	45%	0.449	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	51.5	-174.7	-165.8	18	0	0	0	112.3	E730 T737	E730-N735 WeakPolarHBondContact O-CA 3.16Å; E730-N735 PolarHBondContact O-N 3.06Å; N735-T737 PolarHBondContact O-N 3Å; N735-T737 VanDerWaalsContact O-N 3.14Å
736	W	91.3	Very high	93.5	Very high	9 Å²	9	59.7 Å²	59.7	3%	0.034	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	15.9	174	-42.8	98.4	0	0	0	115.5	F726 F729 E730 T733 Q749 V753 W771 L788	F726-W736 HydrophobicContact CD1-CZ2 4.3Å; F726-W736 AromaticContact CD2-CH2 3.86Å; F726-W736 HydrophobicContact CD2-CH2 3.86Å; F726-W736 AromaticContact CD2-CZ2 3.9Å; F726-W736 HydrophobicContact CD2-CZ2 3.9Å; F726-W736 AromaticContact CE1-CZ2 3.87Å; F726-W736 HydrophobicContact CE1-CZ2 3.87Å; F726-W736 AromaticContact CE2-CH2 3.74Å; F726-W736 HydrophobicContact CE2-CH2 3.74Å; F726-W736 AromaticContact CE2-CZ2 3.45Å; F726-W736 HydrophobicContact CE2-CZ2 3.45Å; F726-W736 VanDerWaalsContact CE2-CZ2 3.45Å; F726-W736 HydrophobicContact CG-CH2 4.43Å; F726-W736 HydrophobicContact CG-CZ2 4.31Å; F726-W736 HydrophobicContact CZ-CH2 4.2Å; F726-W736 AromaticContact CZ-CZ2 3.43Å; F726-W736 HydrophobicContact CZ-CZ2 3.43Å; F726-W736 VanDerWaalsContact CZ-CZ2 3.43Å; F729-W736 HydrophobicContact CB-CH2 3.74Å; F729-W736 HydrophobicContact CB-CZ3 3.77Å; E730-W736 HydrophobicContact CB-CH2 4.45Å; E730-W736 HydrophobicContact CB-CZ2 3.6Å; E730-W736 HydrophobicContact CG-CZ2 4.33Å; T733-W736 PolarHBondContact O-N 2.84Å; T733-W736 VanDerWaalsContact OG1-CA 3.25Å; T733-W736 WeakPolarHBondContact OG1-CA 3.4Å; T733-W736 PolarHBondContact OG1-N 2.97Å; W736-Q749 HydrophobicContact CE3-CG 4.48Å; W736-Q749 VanDerWaalsContact CE3-NE2 3.34Å; W736-Q749 HydrophobicContact CZ3-CG 3.85Å; W736-V753 HydrophobicContact CE3-CG2 4.19Å; W736-V753 HydrophobicContact CH2-CG2 3.63Å; W736-V753 HydrophobicContact CZ3-CG2 3.4Å; W736-W771 HydrophobicContact CB-CH2 3.55Å; W736-W771 HydrophobicContact CB-CZ2 3.39Å; W736-W771 HydrophobicContact CD2-CH2 4.22Å; W736-W771 AromaticContact CG-CH2 3.71Å; W736-W771 HydrophobicContact CG-CH2 3.71Å; W736-W771 AromaticContact CG-CZ2 3.93Å; W736-W771 HydrophobicContact CG-CZ2 3.93Å; W736-L788 HydrophobicContact CE3-CD1 4.12Å
737	T	87.2	Confident	93.4	Very high	106 Å²	106	60.9 Å²	60.9	65%	0.65	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-17.7	179.5	59.3	0	0	0	0	113.1	T733 T734 N735	T733-T737 PolarHBondContact O-N 3.36Å; T733-T737 PolarHBondContact O-OG1 3.22Å; T734-T737 WeakPolarHBondContact O-CG2 3.48Å; T734-T737 PolarHBondContact O-N 3.28Å; T734-T737 PolarHBondContact O-OG1 2.82Å; N735-T737 PolarHBondContact O-N 3Å; N735-T737 VanDerWaalsContact O-N 3.14Å
738	K	90.3	Very high	93.4	Very high	132 Å²	132	56.2 Å²	56.2	57%	0.574	30%	0.298	S	S	*	.	S	Bend	trans	-119.6	151.7	177.4	-63.7	-177.5	179.3	177.2	0	111.1	T733	T733-K738 WeakPolarHBondContact CB-O 3.32Å; T733-K738 WeakPolarHBondContact CG2-O 3.29Å; T733-K738 PolarHBondContact O-N 2.86Å
739	T	89.8	Confident	93.3	Very high	71 Å²	71	52.6 Å²	52.6	44%	0.436	28%	0.284	S	S	.	.			trans	-90	139.4	170.9	-54.8	0	0	0	0	108.7	Q746	T739-Q746 HydrophobicContact CG2-CG 3.77Å
740	P	92.8	Very high	93.3	Very high	13 Å²	13	54.3 Å²	54.3	8%	0.084	29%	0.292	C	S	.	.			trans	-54.9	147.4	171.8	-23.6	32.9	0	0	0	111.9	F729 T733 D745 Q746 Q749	F729-P740 HydrophobicContact CD1-CG 4.27Å; F729-P740 HydrophobicContact CE1-CG 4.15Å; T733-P740 HydrophobicContact CG2-CG 4.02Å; P740-D745 HydrophobicContact CB-CB 3.58Å; P740-D745 HydrophobicContact CG-CB 4.33Å; P740-Q746 HydrophobicContact CB-CG 4.03Å; P740-Q746 HydrophobicContact CG-CG 4.36Å; P740-Q746 WeakPolarHBondContact O-CG 3.44Å; P740-Q746 PolarHBondContact O-NE2 2.67Å; P740-Q749 HydrophobicContact CG-CB 4.34Å
741	I	89.8	Confident	93.3	Very high	157 Å²	157	52.6 Å²	52.6	81%	0.805	29%	0.285	S	S	*	.	S	Bend	trans	-75.1	-47.3	-178.8	-62.4	173.6	0	0	0	110.3
742	E	91.6	Very high	93.4	Very high	86 Å²	86	47.5 Å²	47.5	40%	0.402	25%	0.254	S	S	.	.	S	Bend	trans	-72.4	137	-176.8	-62.1	-59	148.1	0	0	111.6	S744 D745 Q746	E742-S744 VanDerWaalsContact C-N 3.32Å; E742-S744 PolarHBondContact O-N 3.42Å; E742-D745 HydrophobicContact CB-CB 4.07Å; E742-D745 PolarHBondContact O-N 3.09Å; E742-D745 VanDerWaalsContact O-N 3.07Å; E742-Q746 PolarHBondContact O-N 3.49Å; E742-Q746 VanDerWaalsContact O-N 3.12Å
743	H	93.1	Very high	93.5	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.028	23%	0.234	C	C	.	.	H	α-helix	trans	-58	-44.6	-179.4	-172.3	66	0	0	0	112	T371 E375 W424 D745 Q746 Y747	T371-H743 PolarHBondContact OG1-CE1 3.33Å; T371-H743 PolarHBondContact OG1-ND1 3.22Å; E375-H743 IonicContact OE2-CD2 3.58Å; E375-H743 IonicContact OE2-CE1 3.61Å; E375-H743 IonicContact OE2-NE2 2.8Å; E375-H743 PolarHBondContact OE2-NE2 2.87Å; W424-H743 HydrophobicContact CB-CB 4.08Å; W424-H743 AromaticContact CD1-CG 3.78Å; W424-H743 AromaticContact CD2-CE1 3.89Å; W424-H743 AromaticContact CD2-CG 3.93Å; W424-H743 AromaticContact CD2-ND1 3.85Å; W424-H743 AromaticContact CE2-ND1 3.81Å; W424-H743 HydrophobicContact CG-CB 3.83Å; W424-H743 AromaticContact CG-CD2 3.82Å; W424-H743 AromaticContact CG-CG 3.61Å; W424-H743 AromaticContact CG-ND1 3.99Å; W424-H743 AromaticContact NE1-ND1 3.93Å; H743-D745 VanDerWaalsContact C-N 3.31Å; H743-D745 PolarHBondContact O-N 3.41Å; H743-Q746 PolarHBondContact O-N 3.44Å; H743-Y747 AromaticContact CE1-CE2 3.66Å; H743-Y747 AromaticContact NE2-CD2 3.94Å; H743-Y747 AromaticContact NE2-CE2 3.4Å; H743-Y747 WeakPolarHBondContact NE2-CE2 3.37Å; H743-Y747 PolarHBondContact O-N 2.92Å
744	S	93.9	Very high	93.5	Very high	26 Å²	26	48.4 Å²	48.4	18%	0.182	25%	0.25	C	C	.	.	H	α-helix	trans	-62.4	-35.4	175.7	53	0	0	0	0	113.3	Y429 Y688 E742 Y747 N748	Y429-S744 VanDerWaalsContact OH-CA 3.31Å; Y429-S744 WeakPolarHBondContact OH-CA 3.43Å; Y688-S744 WeakPolarHBondContact CB-O 3.31Å; E742-S744 VanDerWaalsContact C-N 3.32Å; E742-S744 PolarHBondContact O-N 3.42Å; S744-Y747 PolarHBondContact O-N 2.99Å; S744-N748 WeakPolarHBondContact O-CB 3.35Å; S744-N748 PolarHBondContact O-N 2.95Å
745	D	95.4	Very high	93.7	Very high	34 Å²	34	44.8 Å²	44.8	18%	0.182	23%	0.227	C	C	.	.	H	α-helix	trans	-72	-35.4	-179.7	-75.2	-5.7	0	0	0	111.4	F729 P740 E742 H743 Y747 N748 Q749	F729-D745 HydrophobicContact CE1-CB 4.12Å; F729-D745 WeakPolarHBondContact CE1-O 3.21Å; F729-D745 HydrophobicContact CZ-CB 4.41Å; F729-D745 WeakPolarHBondContact CZ-O 3.25Å; P740-D745 HydrophobicContact CB-CB 3.58Å; P740-D745 HydrophobicContact CG-CB 4.33Å; E742-D745 HydrophobicContact CB-CB 4.07Å; E742-D745 PolarHBondContact O-N 3.09Å; E742-D745 VanDerWaalsContact O-N 3.07Å; H743-D745 VanDerWaalsContact C-N 3.31Å; H743-D745 PolarHBondContact O-N 3.41Å; D745-Y747 VanDerWaalsContact C-N 3.33Å; D745-Y747 PolarHBondContact O-N 3.48Å; D745-N748 PolarHBondContact O-N 3.03Å; D745-Q749 VanDerWaalsContact O-CB 3.28Å; D745-Q749 WeakPolarHBondContact O-CB 3.47Å; D745-Q749 PolarHBondContact O-N 3.19Å
746	Q	95.4	Very high	94	Very high	33 Å²	33	40.8 Å²	40.8	15%	0.154	21%	0.206	C	C	.	.	H	α-helix	trans	-60.5	-44.5	172.1	-63.8	173.3	20.8	0	0	110.7	T371 T739 P740 E742 H743 Q749 I750	T371-Q746 HydrophobicContact CG2-CB 3.82Å; T371-Q746 PolarHBondContact OG1-OE1 2.77Å; T739-Q746 HydrophobicContact CG2-CG 3.77Å; P740-Q746 HydrophobicContact CB-CG 4.03Å; P740-Q746 HydrophobicContact CG-CG 4.36Å; P740-Q746 WeakPolarHBondContact O-CG 3.44Å; P740-Q746 PolarHBondContact O-NE2 2.67Å; E742-Q746 PolarHBondContact O-N 3.49Å; E742-Q746 VanDerWaalsContact O-N 3.12Å; H743-Q746 PolarHBondContact O-N 3.44Å; Q746-Q749 WeakPolarHBondContact O-CB 3.33Å; Q746-Q749 PolarHBondContact O-N 2.72Å; Q746-I750 WeakPolarHBondContact O-CG1 3.49Å; Q746-I750 PolarHBondContact O-N 3.38Å; Q746-I750 VanDerWaalsContact O-N 3.16Å
747	Y	95.3	Very high	94.3	Very high	27 Å²	27	40.6 Å²	40.6	11%	0.106	21%	0.206	C	C	.	.	H	α-helix	trans	-63.4	-42.8	173.7	-92.5	-83.2	0	0	0	113.4	T371 G372 E375 Y429 Y688 H743 S744 D745 Q749 I750 N751	T371-Y747 HydrophobicContact CG2-CD2 4Å; T371-Y747 HydrophobicContact CG2-CE2 3.94Å; G372-Y747 VanDerWaalsContact CA-OH 3.22Å; G372-Y747 WeakPolarHBondContact CA-OH 3.49Å; E375-Y747 PolarHBondContact OE1-OH 2.9Å; E375-Y747 WeakPolarHBondContact OE2-CE2 3.4Å; E375-Y747 PolarHBondContact OE2-OH 3.48Å; Y429-Y747 HydrophobicContact CE2-CD2 4.2Å; Y429-Y747 HydrophobicContact CE2-CE2 4.1Å; Y688-Y747 HydrophobicContact CE1-CD1 4.2Å; Y688-Y747 HydrophobicContact CE1-CG 4.16Å; Y688-Y747 AromaticContact CE2-CD1 3.96Å; Y688-Y747 HydrophobicContact CE2-CD1 3.96Å; Y688-Y747 HydrophobicContact CE2-CG 4.15Å; Y688-Y747 AromaticContact CZ-CD1 3.64Å; Y688-Y747 AromaticContact CZ-CG 3.96Å; Y688-Y747 WeakPolarHBondContact OH-CD1 3.08Å; H743-Y747 AromaticContact CE1-CE2 3.66Å; H743-Y747 AromaticContact NE2-CD2 3.94Å; H743-Y747 AromaticContact NE2-CE2 3.4Å; H743-Y747 WeakPolarHBondContact NE2-CE2 3.37Å; H743-Y747 PolarHBondContact O-N 2.92Å; S744-Y747 PolarHBondContact O-N 2.99Å; D745-Y747 VanDerWaalsContact C-N 3.33Å; D745-Y747 PolarHBondContact O-N 3.48Å; Y747-Q749 VanDerWaalsContact C-N 3.3Å; Y747-Q749 PolarHBondContact O-N 3.06Å; Y747-I750 WeakPolarHBondContact O-CB 3.15Å; Y747-I750 PolarHBondContact O-N 3.2Å; Y747-N751 PolarHBondContact O-N 3.29Å; Y747-N751 VanDerWaalsContact O-N 3.1Å
748	N	96.3	Very high	94.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-72	-29.5	-179	-153.9	25	0	0	0	112	R686 Y688 F729 S744 D745 I750 N751 A752	R686-N748 PolarHBondContact O-ND2 3.43Å; Y688-N748 HydrophobicContact CD2-CB 4.35Å; F729-N748 VanDerWaalsContact CE2-C 3.48Å; F729-N748 HydrophobicContact CE2-CB 3.97Å; F729-N748 HydrophobicContact CZ-CB 3.86Å; S744-N748 WeakPolarHBondContact O-CB 3.35Å; S744-N748 PolarHBondContact O-N 2.95Å; D745-N748 PolarHBondContact O-N 3.03Å; N748-I750 VanDerWaalsContact C-N 3.33Å; N748-N751 WeakPolarHBondContact O-CB 3.3Å; N748-N751 PolarHBondContact O-N 2.75Å; N748-A752 WeakPolarHBondContact O-CB 3.43Å; N748-A752 PolarHBondContact O-N 3.2Å
749	Q	96.8	Very high	94.8	Very high	3 Å²	3	31.7 Å²	31.7	1%	0.014	16%	0.164	C	C	.	.	H	α-helix	trans	-60.1	-44	169.1	-170.8	-167.8	16.6	0	0	111	F729 W736 P740 D745 Q746 Y747 N751 A752 V753 L788	F729-Q749 HydrophobicContact CB-CG 4.12Å; F729-Q749 HydrophobicContact CD1-CB 3.78Å; F729-Q749 HydrophobicContact CD1-CG 3.94Å; F729-Q749 HydrophobicContact CD2-CB 4.23Å; F729-Q749 HydrophobicContact CE1-CB 3.92Å; F729-Q749 HydrophobicContact CE2-CB 4.33Å; F729-Q749 HydrophobicContact CG-CB 3.96Å; F729-Q749 HydrophobicContact CG-CG 3.93Å; F729-Q749 HydrophobicContact CZ-CB 4.21Å; W736-Q749 HydrophobicContact CE3-CG 4.48Å; W736-Q749 VanDerWaalsContact CE3-NE2 3.34Å; W736-Q749 HydrophobicContact CZ3-CG 3.85Å; P740-Q749 HydrophobicContact CG-CB 4.34Å; D745-Q749 VanDerWaalsContact O-CB 3.28Å; D745-Q749 WeakPolarHBondContact O-CB 3.47Å; D745-Q749 PolarHBondContact O-N 3.19Å; Q746-Q749 WeakPolarHBondContact O-CB 3.33Å; Q746-Q749 PolarHBondContact O-N 2.72Å; Y747-Q749 VanDerWaalsContact C-N 3.3Å; Y747-Q749 PolarHBondContact O-N 3.06Å; Q749-N751 VanDerWaalsContact C-N 3.35Å; Q749-N751 PolarHBondContact O-N 2.82Å; Q749-A752 PolarHBondContact O-N 3.07Å; Q749-V753 WeakPolarHBondContact O-CG2 3.37Å; Q749-V753 PolarHBondContact O-N 3.19Å; Q749-L788 HydrophobicContact CG-CD2 4.2Å
750	I	95.4	Very high	95	Very high	35 Å²	35	30.3 Å²	30.3	18%	0.179	16%	0.164	C	C	.	.	H	α-helix	trans	-59.1	-47.5	175.7	-64.9	165.9	0	0	0	110.3	T371 Q746 Y747 N748 A752 W754 D787 L788	T371-I750 HydrophobicContact CG2-CD1 4.34Å; Q746-I750 WeakPolarHBondContact O-CG1 3.49Å; Q746-I750 PolarHBondContact O-N 3.38Å; Q746-I750 VanDerWaalsContact O-N 3.16Å; Y747-I750 WeakPolarHBondContact O-CB 3.15Å; Y747-I750 PolarHBondContact O-N 3.2Å; N748-I750 VanDerWaalsContact C-N 3.33Å; I750-A752 PolarHBondContact O-N 3.36Å; I750-W754 WeakPolarHBondContact O-CB 3.16Å; I750-W754 PolarHBondContact O-N 3.14Å; I750-D787 HydrophobicContact CD1-CB 4.06Å; I750-D787 HydrophobicContact CG1-CB 4.13Å; I750-D787 WeakPolarHBondContact CG1-O 3.39Å; I750-L788 HydrophobicContact CG1-CD2 4.35Å
751	N	95.9	Very high	95.1	Very high	25 Å²	25	29.8 Å²	29.8	13%	0.134	16%	0.16	C	C	.	.	H	α-helix	trans	-58.5	-46.5	175.8	-79.2	-15.4	0	0	0	111.9	Y688 L695 Y747 N748 Q749 W754 M755	Y688-N751 WeakPolarHBondContact CD2-ND2 3.46Å; Y688-N751 VanDerWaalsContact CE2-ND2 3.31Å; Y688-N751 WeakPolarHBondContact CE2-ND2 3.31Å; L695-N751 HydrophobicContact CD1-CB 3.87Å; Y747-N751 PolarHBondContact O-N 3.29Å; Y747-N751 VanDerWaalsContact O-N 3.1Å; N748-N751 WeakPolarHBondContact O-CB 3.3Å; N748-N751 PolarHBondContact O-N 2.75Å; Q749-N751 VanDerWaalsContact C-N 3.35Å; Q749-N751 PolarHBondContact O-N 2.82Å; N751-W754 PolarHBondContact O-N 3.06Å; N751-M755 VanDerWaalsContact O-CB 3.24Å; N751-M755 WeakPolarHBondContact O-CB 3.37Å; N751-M755 PolarHBondContact O-N 3.28Å
752	A	97.4	Very high	95.3	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.5	-53	-178.7	0	0	0	0	0	111.5	L725 F729 N748 Q749 I750 A756	L725-A752 HydrophobicContact CB-CB 4.47Å; L725-A752 HydrophobicContact CD2-CB 3.75Å; L725-A752 HydrophobicContact CG-CB 3.83Å; F729-A752 HydrophobicContact CD2-CB 3.71Å; F729-A752 HydrophobicContact CE2-CB 4.27Å; N748-A752 WeakPolarHBondContact O-CB 3.43Å; N748-A752 PolarHBondContact O-N 3.2Å; Q749-A752 PolarHBondContact O-N 3.07Å; I750-A752 PolarHBondContact O-N 3.36Å; A752-A756 WeakPolarHBondContact O-CB 3.49Å; A752-A756 PolarHBondContact O-N 2.96Å
753	V	96.9	Very high	95.4	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.012	15%	0.145	C	C	.	.	H	α-helix	trans	-65.4	-44.3	-179.6	-179.6	0	0	0	0	110.8	F726 W736 Q749 C757 C764 L788 T791	F726-V753 HydrophobicContact CD2-CG2 4.38Å; F726-V753 HydrophobicContact CE2-CG2 4.22Å; W736-V753 HydrophobicContact CE3-CG2 4.19Å; W736-V753 HydrophobicContact CH2-CG2 3.63Å; W736-V753 HydrophobicContact CZ3-CG2 3.4Å; Q749-V753 WeakPolarHBondContact O-CG2 3.37Å; Q749-V753 PolarHBondContact O-N 3.19Å; V753-C757 WeakPolarHBondContact O-CB 3.39Å; V753-C757 PolarHBondContact O-N 2.93Å; V753-C764 PolarHBondContact O-SG 3.44Å; V753-L788 HydrophobicContact CB-CD2 4.22Å; V753-L788 HydrophobicContact CG2-CD1 4.32Å; V753-L788 HydrophobicContact CG2-CD2 3.93Å; V753-T791 HydrophobicContact CB-CG2 4.3Å; V753-T791 HydrophobicContact CG1-CG2 3.75Å
754	W	95.4	Very high	95.6	Very high	89 Å²	89	26 Å²	26	34%	0.337	14%	0.144	S	C	.	.	H	α-helix	trans	-61.9	-49.4	-178.8	169.2	68.8	0	0	0	112.1	L695 I750 N751 S758 T791	L695-W754 HydrophobicContact CD1-CZ3 4.24Å; I750-W754 WeakPolarHBondContact O-CB 3.16Å; I750-W754 PolarHBondContact O-N 3.14Å; N751-W754 PolarHBondContact O-N 3.06Å; W754-S758 VanDerWaalsContact O-CB 3.3Å; W754-S758 WeakPolarHBondContact O-CB 3.18Å; W754-S758 PolarHBondContact O-N 3.35Å; W754-S758 PolarHBondContact O-OG 3.49Å; W754-T791 VanDerWaalsContact CA-CG2 3.42Å; W754-T791 HydrophobicContact CB-CG2 3.84Å
755	M	96.9	Very high	95.7	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.015	16%	0.16	C	C	.	.	H	α-helix	trans	-71.1	-41	-178.3	-176.1	53.2	62.1	0	0	110.9	L695 I702 L718 I722 N751 C757 S758 M759	L695-M755 HydrophobicContact CD2-CB 4.47Å; L695-M755 HydrophobicContact CD2-CE 3.59Å; L695-M755 HydrophobicContact CD2-CG 3.94Å; L695-M755 HydrophobicContact CD2-SD 4.34Å; I702-M755 HydrophobicContact CD1-CE 4.47Å; L718-M755 HydrophobicContact CD1-SD 4.38Å; I722-M755 HydrophobicContact CB-CG 4.09Å; I722-M755 HydrophobicContact CD1-CB 3.94Å; I722-M755 HydrophobicContact CD1-CG 4.01Å; I722-M755 HydrophobicContact CG1-CB 3.8Å; I722-M755 HydrophobicContact CG1-CG 3.82Å; I722-M755 HydrophobicContact CG2-CG 4.32Å; N751-M755 VanDerWaalsContact O-CB 3.24Å; N751-M755 WeakPolarHBondContact O-CB 3.37Å; N751-M755 PolarHBondContact O-N 3.28Å; M755-C757 PolarHBondContact O-N 2.99Å; M755-S758 PolarHBondContact O-N 2.73Å; M755-M759 HydrophobicContact CG-CG 4.13Å; M755-M759 WeakPolarHBondContact O-CB 3.31Å; M755-M759 WeakPolarHBondContact O-CG 3.23Å; M755-M759 PolarHBondContact O-N 3.27Å; M755-M759 HydrophobicContact SD-CE 3.68Å; M755-M759 HydrophobicContact SD-CG 3.34Å; M755-M759 WeakPolarHBondContact SD-CG 3.42Å; M755-M759 HydrophobicContact SD-SD 3.87Å
756	A	97.7	Very high	95.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-57.9	-46.8	175.4	0	0	0	0	0	112.4	I722 F726 A752 M759 G760 V761 C764	I722-A756 HydrophobicContact CG2-CB 4.27Å; F726-A756 HydrophobicContact CB-CB 4.01Å; F726-A756 HydrophobicContact CD2-CB 3.52Å; F726-A756 HydrophobicContact CE2-CB 4.22Å; F726-A756 HydrophobicContact CG-CB 3.87Å; A752-A756 WeakPolarHBondContact O-CB 3.49Å; A752-A756 PolarHBondContact O-N 2.96Å; A756-M759 PolarHBondContact O-N 2.81Å; A756-G760 PolarHBondContact O-N 3.06Å; A756-V761 HydrophobicContact CB-CB 3.93Å; A756-V761 HydrophobicContact CB-CG1 4.47Å; A756-V761 HydrophobicContact CB-CG2 3.77Å; A756-V761 WeakPolarHBondContact O-CB 3.42Å; A756-V761 WeakPolarHBondContact O-CG2 3.29Å; A756-V761 PolarHBondContact O-N 2.83Å; A756-C764 HydrophobicContact CB-CB 4.09Å
757	C	96.4	Very high	95.6	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.027	18%	0.181	C	C	.	.	H	α-helix	trans	-68	-39.4	178	-87.1	0	0	0	0	112.4	V753 M755 M759 G760 C764 V768 F799	V753-C757 WeakPolarHBondContact O-CB 3.39Å; V753-C757 PolarHBondContact O-N 2.93Å; M755-C757 PolarHBondContact O-N 2.99Å; C757-M759 VanDerWaalsContact C-N 3.32Å; C757-M759 PolarHBondContact O-N 2.97Å; C757-G760 PolarHBondContact O-N 2.89Å; C757-C764 WeakPolarHBondContact CA-SG 3.07Å; C757-C764 HydrophobicContact CB-CB 4.2Å; C757-C764 WeakPolarHBondContact CB-SG 3.42Å; C757-C764 PolarHBondContact N-SG 2.76Å; C757-C764 VanDerWaalsContact SG-C 3.51Å; C757-C764 WeakPolarHBondContact SG-CB 3.3Å; C757-C764 CovalentContact SG-SG 2.04Å; C757-C764 PolarHBondContact SG-SG 3.19Å; C757-V768 WeakPolarHBondContact SG-CG2 3.48Å; C757-F799 HydrophobicContact CB-CZ 4.24Å
758	S	93.9	Very high	95.7	Very high	45 Å²	45	35.2 Å²	35.2	32%	0.315	18%	0.176	S	C	.	.	H	α-helix	trans	-65.7	-34.4	177.5	-60.2	0	0	0	0	112.4	W754 M755	W754-S758 VanDerWaalsContact O-CB 3.3Å; W754-S758 WeakPolarHBondContact O-CB 3.18Å; W754-S758 PolarHBondContact O-N 3.35Å; W754-S758 PolarHBondContact O-OG 3.49Å; M755-S758 PolarHBondContact O-N 2.73Å
759	M	94.8	Very high	95.7	Very high	7 Å²	7	36.3 Å²	36.3	3%	0.034	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	3.3	-178.4	-58	-60.2	110.2	0	0	113.8	Q715 L718 K719 M755 A756 C757	Q715-M759 HydrophobicContact CB-SD 3.72Å; Q715-M759 HydrophobicContact CG-CB 4.25Å; Q715-M759 WeakPolarHBondContact CG-O 3.41Å; Q715-M759 HydrophobicContact CG-SD 4.16Å; L718-M759 HydrophobicContact CB-CG 3.85Å; L718-M759 HydrophobicContact CB-SD 3.78Å; L718-M759 HydrophobicContact CD1-SD 3.83Å; L718-M759 HydrophobicContact CG-SD 4.42Å; K719-M759 HydrophobicContact CB-CB 4.17Å; M755-M759 HydrophobicContact CG-CG 4.13Å; M755-M759 WeakPolarHBondContact O-CB 3.31Å; M755-M759 WeakPolarHBondContact O-CG 3.23Å; M755-M759 PolarHBondContact O-N 3.27Å; M755-M759 HydrophobicContact SD-CE 3.68Å; M755-M759 HydrophobicContact SD-CG 3.34Å; M755-M759 WeakPolarHBondContact SD-CG 3.42Å; M755-M759 HydrophobicContact SD-SD 3.87Å; A756-M759 PolarHBondContact O-N 2.81Å; C757-M759 VanDerWaalsContact C-N 3.32Å; C757-M759 PolarHBondContact O-N 2.97Å
760	G	92.7	Very high	95.6	Very high	42 Å²	42	38.9 Å²	38.9	43%	0.433	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	35.7	174	0	0	0	0	0	114.7	K719 A756 C757 E762	K719-G760 PolarHBondContact NZ-O 3.42Å; A756-G760 PolarHBondContact O-N 3.06Å; C757-G760 PolarHBondContact O-N 2.89Å; G760-E762 PolarHBondContact O-N 2.9Å
761	V	95.8	Very high	95.7	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	20%	0.198	C	C	.	.			trans	-67.4	123.4	163.2	178.2	0	0	0	0	108.6	K719 I722 F726 A756 S763 C764 R765	K719-V761 HydrophobicContact CG-CG2 3.92Å; I722-V761 HydrophobicContact CG2-CG2 4.29Å; F726-V761 HydrophobicContact CD1-CG1 4.39Å; A756-V761 HydrophobicContact CB-CB 3.93Å; A756-V761 HydrophobicContact CB-CG1 4.47Å; A756-V761 HydrophobicContact CB-CG2 3.77Å; A756-V761 WeakPolarHBondContact O-CB 3.42Å; A756-V761 WeakPolarHBondContact O-CG2 3.29Å; A756-V761 PolarHBondContact O-N 2.83Å; V761-S763 WeakPolarHBondContact CG1-OG 3.45Å; V761-C764 HydrophobicContact CB-CB 4.22Å; V761-C764 HydrophobicContact CG1-CB 4.39Å; V761-C764 PolarHBondContact O-N 3.33Å; V761-R765 PolarHBondContact O-N 3.28Å
762	E	94.2	Very high	95.8	Very high	123 Å²	123	37.2 Å²	37.2	58%	0.575	19%	0.192	S	C	*	.	H	α-helix	trans	-70.6	-39.2	-168.1	-167.6	-176.8	160.2	0	0	112.6	G760 C764 R765 K766	G760-E762 PolarHBondContact O-N 2.9Å; E762-C764 PolarHBondContact O-N 2.77Å; E762-R765 PolarHBondContact O-N 2.89Å; E762-K766 HydrophobicContact CG-CD 4.5Å; E762-K766 WeakPolarHBondContact O-CG 3.32Å; E762-K766 PolarHBondContact O-N 3.05Å; E762-K766 WeakPolarHBondContact OE1-CE 3.37Å; E762-K766 IonicContact OE1-NZ 3.08Å; E762-K766 PolarHBondContact OE1-NZ 2.99Å
763	S	94.5	Very high	95.8	Very high	45 Å²	45	45.4 Å²	45.4	32%	0.315	22%	0.223	S	C	.	.	H	α-helix	trans	-60	-43.3	175.1	49.8	0	0	0	0	111.5	F726 V761 R765 K766 Q767	F726-S763 VanDerWaalsContact CE1-OG 3.29Å; F726-S763 WeakPolarHBondContact CE1-OG 3.12Å; V761-S763 WeakPolarHBondContact CG1-OG 3.45Å; S763-R765 PolarHBondContact O-N 2.8Å; S763-K766 PolarHBondContact O-N 2.92Å; S763-Q767 WeakPolarHBondContact O-CB 3.43Å; S763-Q767 PolarHBondContact O-N 2.98Å
764	C	96.3	Very high	95.8	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.007	25%	0.248	C	C	.	.	H	α-helix	trans	-58	-48.1	174.9	-165.5	0	0	0	0	111.8	F726 V753 A756 C757 V761 E762 K766 Q767 V768	F726-C764 HydrophobicContact CD2-CB 4.4Å; F726-C764 HydrophobicContact CE2-CB 3.68Å; F726-C764 HydrophobicContact CZ-CB 3.75Å; V753-C764 PolarHBondContact O-SG 3.44Å; A756-C764 HydrophobicContact CB-CB 4.09Å; C757-C764 WeakPolarHBondContact CA-SG 3.07Å; C757-C764 HydrophobicContact CB-CB 4.2Å; C757-C764 WeakPolarHBondContact CB-SG 3.42Å; C757-C764 PolarHBondContact N-SG 2.76Å; C757-C764 VanDerWaalsContact SG-C 3.51Å; C757-C764 WeakPolarHBondContact SG-CB 3.3Å; C757-C764 CovalentContact SG-SG 2.04Å; C757-C764 PolarHBondContact SG-SG 3.19Å; V761-C764 HydrophobicContact CB-CB 4.22Å; V761-C764 HydrophobicContact CG1-CB 4.39Å; V761-C764 PolarHBondContact O-N 3.33Å; E762-C764 PolarHBondContact O-N 2.77Å; C764-K766 PolarHBondContact O-N 3.27Å; C764-Q767 PolarHBondContact O-N 3.41Å; C764-V768 WeakPolarHBondContact O-CB 3.37Å; C764-V768 WeakPolarHBondContact O-CG2 3.32Å; C764-V768 PolarHBondContact O-N 3.05Å
765	R	95.3	Very high	95.9	Very high	138 Å²	138	46.3 Å²	46.3	52%	0.521	23%	0.233	S	C	.	.	H	α-helix	trans	-59.3	-45.6	178.5	-179.4	175.3	-178	-177.4	1.1	112	V761 E762 S763 S769 F799	V761-R765 PolarHBondContact O-N 3.28Å; E762-R765 PolarHBondContact O-N 2.89Å; S763-R765 PolarHBondContact O-N 2.8Å; R765-S769 VanDerWaalsContact O-CB 3.28Å; R765-S769 WeakPolarHBondContact O-CB 3.34Å; R765-S769 PolarHBondContact O-N 3Å; R765-S769 VanDerWaalsContact O-N 3.1Å; R765-S769 PolarHBondContact O-OG 3.21Å; R765-F799 HydrophobicContact CB-CE2 4.03Å; R765-F799 HydrophobicContact CB-CZ 4.21Å; R765-F799 HydrophobicContact CG-CD1 4.47Å; R765-F799 HydrophobicContact CG-CD2 3.83Å; R765-F799 HydrophobicContact CG-CE1 4.45Å; R765-F799 HydrophobicContact CG-CE2 3.81Å; R765-F799 HydrophobicContact CG-CG 4.19Å; R765-F799 HydrophobicContact CG-CZ 4.13Å
766	K	95.3	Very high	95.9	Very high	131 Å²	131	47.9 Å²	47.9	57%	0.57	24%	0.241	S	C	*	.	H	α-helix	trans	-61.5	-47.4	178.3	-73.4	174.2	-177.3	164.8	0	110.9	E762 S763 C764 S770	E762-K766 HydrophobicContact CG-CD 4.5Å; E762-K766 WeakPolarHBondContact O-CG 3.32Å; E762-K766 PolarHBondContact O-N 3.05Å; E762-K766 WeakPolarHBondContact OE1-CE 3.37Å; E762-K766 IonicContact OE1-NZ 3.08Å; E762-K766 PolarHBondContact OE1-NZ 2.99Å; S763-K766 PolarHBondContact O-N 2.92Å; C764-K766 PolarHBondContact O-N 3.27Å; K766-S770 WeakPolarHBondContact O-CB 3.18Å; K766-S770 PolarHBondContact O-N 2.53Å
767	Q	95.3	Very high	95.9	Very high	44 Å²	44	51.1 Å²	51.1	21%	0.206	28%	0.275	C	S	.	.	H	α-helix	trans	-63	-53	-178	-171.2	62.2	24.2	0	0	112.2	S763 C764 S769 S770 W771	S763-Q767 WeakPolarHBondContact O-CB 3.43Å; S763-Q767 PolarHBondContact O-N 2.98Å; C764-Q767 PolarHBondContact O-N 3.41Å; Q767-S769 PolarHBondContact O-N 3.14Å; Q767-S770 WeakPolarHBondContact O-CB 3.48Å; Q767-S770 PolarHBondContact O-N 3.49Å; Q767-W771 HydrophobicContact CG-CD2 4.14Å; Q767-W771 HydrophobicContact CG-CE3 3.99Å; Q767-W771 HydrophobicContact CG-CH2 3.7Å; Q767-W771 HydrophobicContact CG-CZ2 3.88Å; Q767-W771 HydrophobicContact CG-CZ3 3.76Å; Q767-W771 PolarHBondContact O-N 2.83Å
768	V	95.9	Very high	95.9	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-59.2	-45.1	179.5	163.4	0	0	0	0	111.9	C757 C764 S770 W771 F772 V792 A796 F799	C757-V768 WeakPolarHBondContact SG-CG2 3.48Å; C764-V768 WeakPolarHBondContact O-CB 3.37Å; C764-V768 WeakPolarHBondContact O-CG2 3.32Å; C764-V768 PolarHBondContact O-N 3.05Å; V768-S770 VanDerWaalsContact C-N 3.3Å; V768-S770 PolarHBondContact O-N 3.16Å; V768-W771 PolarHBondContact O-N 3.28Å; V768-F772 WeakPolarHBondContact O-CB 3.47Å; V768-F772 PolarHBondContact O-N 3.16Å; V768-F772 VanDerWaalsContact O-N 3.08Å; V768-V792 HydrophobicContact CG1-CB 4.49Å; V768-V792 HydrophobicContact CG1-CG1 4.06Å; V768-V792 WeakPolarHBondContact CG1-O 3.04Å; V768-V792 HydrophobicContact CG2-CG2 4.15Å; V768-A796 HydrophobicContact CG1-CB 3.89Å; V768-F799 HydrophobicContact CG1-CD2 4.47Å; V768-F799 HydrophobicContact CG1-CE2 4.32Å
769	S	96.4	Very high	95.9	Very high	24 Å²	24	55 Å²	55	17%	0.168	29%	0.294	C	S	.	.	H	α-helix	trans	-65.5	-36.5	179.3	-53.6	0	0	0	0	111.4	R765 Q767 R773	R765-S769 VanDerWaalsContact O-CB 3.28Å; R765-S769 WeakPolarHBondContact O-CB 3.34Å; R765-S769 PolarHBondContact O-N 3Å; R765-S769 VanDerWaalsContact O-N 3.1Å; R765-S769 PolarHBondContact O-OG 3.21Å; Q767-S769 PolarHBondContact O-N 3.14Å; S769-R773 WeakPolarHBondContact O-CB 3.24Å; S769-R773 VanDerWaalsContact O-CG 3.26Å; S769-R773 WeakPolarHBondContact O-CG 3.5Å; S769-R773 PolarHBondContact O-N 3.21Å; S769-R773 VanDerWaalsContact O-N 3.1Å
770	S	96.3	Very high	95.7	Very high	57 Å²	57	62.2 Å²	62.2	40%	0.399	33%	0.333	S	S	.	.	H	α-helix	trans	-63.5	-51.7	176.2	-175.5	0	0	0	0	111.5	K766 Q767 V768 F772 R773 L774	K766-S770 WeakPolarHBondContact O-CB 3.18Å; K766-S770 PolarHBondContact O-N 2.53Å; Q767-S770 WeakPolarHBondContact O-CB 3.48Å; Q767-S770 PolarHBondContact O-N 3.49Å; V768-S770 VanDerWaalsContact C-N 3.3Å; V768-S770 PolarHBondContact O-N 3.16Å; S770-F772 PolarHBondContact O-N 3.45Å; S770-R773 PolarHBondContact O-N 3.18Å; S770-L774 WeakPolarHBondContact O-CG 3.48Å; S770-L774 PolarHBondContact O-N 3.45Å
771	W	96.6	Very high	95.6	Very high	23 Å²	23	66.5 Å²	66.5	9%	0.087	34%	0.342	C	S	.	.	H	α-helix	trans	-59	-44.8	178.6	-75.7	-37.2	0	0	0	113.4	W736 Q767 V768 R773 L774 W775 I784 L788 V792	W736-W771 HydrophobicContact CB-CH2 3.55Å; W736-W771 HydrophobicContact CB-CZ2 3.39Å; W736-W771 HydrophobicContact CD2-CH2 4.22Å; W736-W771 AromaticContact CG-CH2 3.71Å; W736-W771 HydrophobicContact CG-CH2 3.71Å; W736-W771 AromaticContact CG-CZ2 3.93Å; W736-W771 HydrophobicContact CG-CZ2 3.93Å; Q767-W771 HydrophobicContact CG-CD2 4.14Å; Q767-W771 HydrophobicContact CG-CE3 3.99Å; Q767-W771 HydrophobicContact CG-CH2 3.7Å; Q767-W771 HydrophobicContact CG-CZ2 3.88Å; Q767-W771 HydrophobicContact CG-CZ3 3.76Å; Q767-W771 PolarHBondContact O-N 2.83Å; V768-W771 PolarHBondContact O-N 3.28Å; W771-R773 VanDerWaalsContact C-N 3.34Å; W771-R773 PolarHBondContact O-N 3.21Å; W771-L774 PolarHBondContact O-N 2.92Å; W771-W775 PolarHBondContact O-N 3.49Å; W771-I784 HydrophobicContact CB-CD1 4.43Å; W771-I784 HydrophobicContact CB-CG1 3.79Å; W771-I784 HydrophobicContact CG-CG1 4.4Å; W771-L788 HydrophobicContact CH2-CD1 3.94Å; W771-L788 HydrophobicContact CZ3-CD1 4.17Å; W771-V792 HydrophobicContact CB-CG1 4.38Å; W771-V792 HydrophobicContact CE3-CG1 4.34Å; W771-V792 HydrophobicContact CE3-CG2 3.72Å; W771-V792 HydrophobicContact CZ3-CG2 3.89Å
772	F	97.6	Very high	95.4	Very high	2 Å²	2	68.2 Å²	68.2	1%	0.009	35%	0.351	C	S	.	.	H	α-helix	trans	-65.8	-38.9	-179.3	-161.6	-92.7	0	0	0	111.5	V768 S770 W775 M776 I784 Y793 A796 I797 E804 F807 A808	V768-F772 WeakPolarHBondContact O-CB 3.47Å; V768-F772 PolarHBondContact O-N 3.16Å; V768-F772 VanDerWaalsContact O-N 3.08Å; S770-F772 PolarHBondContact O-N 3.45Å; F772-W775 HydrophobicContact CD2-CE3 4.07Å; F772-W775 HydrophobicContact CD2-CZ3 4.4Å; F772-W775 AromaticContact CE2-CE3 3.88Å; F772-W775 HydrophobicContact CE2-CE3 3.88Å; F772-W775 AromaticContact CE2-CZ3 3.8Å; F772-W775 HydrophobicContact CE2-CZ3 3.8Å; F772-W775 HydrophobicContact CZ-CZ3 4.42Å; F772-W775 WeakPolarHBondContact O-CB 3.42Å; F772-W775 PolarHBondContact O-N 3.39Å; F772-M776 HydrophobicContact CD1-CG 4.02Å; F772-M776 HydrophobicContact CD1-SD 3.58Å; F772-M776 VanDerWaalsContact CD1-SD 3.58Å; F772-M776 HydrophobicContact CE1-CG 3.94Å; F772-M776 HydrophobicContact CE1-SD 3.58Å; F772-M776 VanDerWaalsContact CE1-SD 3.58Å; F772-M776 WeakPolarHBondContact O-CG 3.25Å; F772-M776 PolarHBondContact O-N 2.86Å; F772-I784 HydrophobicContact CD2-CD1 4.46Å; F772-Y793 HydrophobicContact CD2-CD1 4.15Å; F772-Y793 AromaticContact CE2-CD1 3.97Å; F772-Y793 HydrophobicContact CE2-CD1 3.97Å; F772-A796 HydrophobicContact CB-CB 3.49Å; F772-A796 VanDerWaalsContact CB-CB 3.49Å; F772-A796 HydrophobicContact CD1-CB 3.96Å; F772-A796 HydrophobicContact CD2-CB 3.65Å; F772-A796 HydrophobicContact CE2-CB 4.35Å; F772-A796 HydrophobicContact CG-CB 3.41Å; F772-A796 VanDerWaalsContact CG-CB 3.41Å; F772-I797 HydrophobicContact CZ-CG1 4.28Å; F772-E804 HydrophobicContact CD1-CB 4.3Å; F772-E804 HydrophobicContact CD1-CG 3.96Å; F772-E804 HydrophobicContact CE1-CB 3.66Å; F772-E804 HydrophobicContact CE1-CG 3.81Å; F772-E804 HydrophobicContact CZ-CB 4.43Å; F772-F807 AromaticContact CE1-CD1 3.9Å; F772-F807 HydrophobicContact CE1-CD1 3.9Å; F772-F807 HydrophobicContact CE1-CE1 4.43Å; F772-F807 AromaticContact CZ-CD1 3.76Å; F772-F807 HydrophobicContact CZ-CD1 3.76Å; F772-F807 HydrophobicContact CZ-CE1 4.17Å; F772-A808 HydrophobicContact CZ-CB 4.35Å
773	R	97.4	Very high	95.3	Very high	172 Å²	172	64.8 Å²	64.8	65%	0.649	34%	0.339	S	S	*	.	H	α-helix	trans	-64.3	-41.1	173.2	-76.6	176.2	-178.7	168.6	0.5	112.9	S769 S770 W771 W775 M776 G777	S769-R773 WeakPolarHBondContact O-CB 3.24Å; S769-R773 VanDerWaalsContact O-CG 3.26Å; S769-R773 WeakPolarHBondContact O-CG 3.5Å; S769-R773 PolarHBondContact O-N 3.21Å; S769-R773 VanDerWaalsContact O-N 3.1Å; S770-R773 PolarHBondContact O-N 3.18Å; W771-R773 VanDerWaalsContact C-N 3.34Å; W771-R773 PolarHBondContact O-N 3.21Å; R773-W775 VanDerWaalsContact C-N 3.28Å; R773-W775 PolarHBondContact O-N 3.13Å; R773-M776 PolarHBondContact O-N 3.11Å; R773-G777 PolarHBondContact O-N 2.88Å
774	L	97.3	Very high	95.3	Very high	101 Å²	101	63 Å²	63	53%	0.529	33%	0.326	S	S	.	.	H	α-helix	trans	-60.6	-41.4	174.4	-72.5	171.4	0	0	0	111	S770 W771 G777 N778 P783	S770-L774 WeakPolarHBondContact O-CG 3.48Å; S770-L774 PolarHBondContact O-N 3.45Å; W771-L774 PolarHBondContact O-N 2.92Å; L774-G777 PolarHBondContact O-N 3Å; L774-N778 PolarHBondContact O-N 2.85Å; L774-N778 VanDerWaalsContact O-N 3.14Å; L774-P783 HydrophobicContact CB-CG 3.95Å
775	W	97.4	Very high	95	Very high	9 Å²	9	64.3 Å²	64.3	3%	0.034	34%	0.335	C	S	.	.	H	α-helix	trans	-65.1	-44.4	174.9	-173.4	24.3	0	0	0	112.6	W771 F772 R773 G777 N778 P779 N782 P783 I784 Y793 F807 M811 L824	W771-W775 PolarHBondContact O-N 3.49Å; F772-W775 HydrophobicContact CD2-CE3 4.07Å; F772-W775 HydrophobicContact CD2-CZ3 4.4Å; F772-W775 AromaticContact CE2-CE3 3.88Å; F772-W775 HydrophobicContact CE2-CE3 3.88Å; F772-W775 AromaticContact CE2-CZ3 3.8Å; F772-W775 HydrophobicContact CE2-CZ3 3.8Å; F772-W775 HydrophobicContact CZ-CZ3 4.42Å; F772-W775 WeakPolarHBondContact O-CB 3.42Å; F772-W775 PolarHBondContact O-N 3.39Å; R773-W775 VanDerWaalsContact C-N 3.28Å; R773-W775 PolarHBondContact O-N 3.13Å; W775-G777 PolarHBondContact O-N 2.97Å; W775-N778 CarbonylContact O-C 3.22Å; W775-N778 PolarHBondContact O-N 2.78Å; W775-N778 VanDerWaalsContact O-O 3.13Å; W775-P779 PolarHBondContact NE1-O 3.19Å; W775-P779 VanDerWaalsContact NE1-O 3.07Å; W775-P779 WeakPolarHBondContact O-CA 3.14Å; W775-P779 VanDerWaalsContact O-N 3.15Å; W775-N782 VanDerWaalsContact CD1-CA 3.48Å; W775-N782 HydrophobicContact CD2-CB 4.27Å; W775-N782 HydrophobicContact CG-CB 4.1Å; W775-P783 HydrophobicContact CB-CG 4.48Å; W775-I784 HydrophobicContact CE3-CD1 4.14Å; W775-Y793 HydrophobicContact CE3-CD1 4.3Å; W775-Y793 AromaticContact CE3-CE1 3.73Å; W775-Y793 HydrophobicContact CE3-CE1 3.73Å; W775-Y793 HydrophobicContact CH2-CE1 4Å; W775-Y793 AromaticContact CH2-CZ 3.89Å; W775-Y793 AromaticContact CZ3-CD1 3.79Å; W775-Y793 HydrophobicContact CZ3-CD1 3.79Å; W775-Y793 AromaticContact CZ3-CE1 3.29Å; W775-Y793 HydrophobicContact CZ3-CE1 3.29Å; W775-Y793 HydrophobicContact CZ3-CE2 4.45Å; W775-Y793 AromaticContact CZ3-CZ 3.67Å; W775-F807 AromaticContact CD2-CE1 3.59Å; W775-F807 HydrophobicContact CD2-CE1 3.59Å; W775-F807 AromaticContact CD2-CZ 3.68Å; W775-F807 HydrophobicContact CD2-CZ 3.68Å; W775-F807 AromaticContact CE2-CE1 3.88Å; W775-F807 AromaticContact CE2-CZ 3.65Å; W775-F807 AromaticContact CE3-CE1 3.48Å; W775-F807 HydrophobicContact CE3-CE1 3.48Å; W775-F807 VanDerWaalsContact CE3-CE1 3.48Å; W775-F807 HydrophobicContact CE3-CZ 4.08Å; W775-F807 HydrophobicContact CG-CE1 4.2Å; W775-F807 HydrophobicContact CG-CZ 4Å; W775-F807 AromaticContact CH2-CE1 3.95Å; W775-F807 HydrophobicContact CH2-CE1 3.95Å; W775-F807 HydrophobicContact CH2-CZ 4.36Å; W775-F807 HydrophobicContact CZ2-CE1 4.07Å; W775-F807 HydrophobicContact CZ2-CZ 4.03Å; W775-F807 AromaticContact CZ3-CE1 3.65Å; W775-F807 HydrophobicContact CZ3-CE1 3.65Å; W775-F807 HydrophobicContact CZ3-CZ 4.39Å; W775-F807 AromaticContact NE1-CZ 3.93Å; W775-M811 HydrophobicContact CH2-CB 3.88Å; W775-M811 HydrophobicContact CH2-CG 3.66Å; W775-M811 HydrophobicContact CZ2-CB 3.99Å; W775-M811 HydrophobicContact CZ2-CG 3.48Å; W775-M811 VanDerWaalsContact CZ2-CG 3.48Å; W775-M811 HydrophobicContact CZ2-SD 3.78Å; W775-L824 HydrophobicContact CH2-CD2 3.96Å; W775-L824 HydrophobicContact CZ3-CD2 4.32Å
776	M	97.8	Very high	94.8	Very high	35 Å²	35	59 Å²	59	17%	0.172	32%	0.318	C	S	.	.	H	α-helix	trans	-58.7	-35.7	174.9	-72.6	173.4	68.1	0	0	112.3	F772 R773 N778 E803 E804 F807	F772-M776 HydrophobicContact CD1-CG 4.02Å; F772-M776 HydrophobicContact CD1-SD 3.58Å; F772-M776 VanDerWaalsContact CD1-SD 3.58Å; F772-M776 HydrophobicContact CE1-CG 3.94Å; F772-M776 HydrophobicContact CE1-SD 3.58Å; F772-M776 VanDerWaalsContact CE1-SD 3.58Å; F772-M776 WeakPolarHBondContact O-CG 3.25Å; F772-M776 PolarHBondContact O-N 2.86Å; R773-M776 PolarHBondContact O-N 3.11Å; M776-N778 VanDerWaalsContact C-N 3.34Å; M776-E803 HydrophobicContact CE-CB 4.42Å; M776-E803 HydrophobicContact CE-CG 3.63Å; M776-E803 WeakPolarHBondContact CE-OE1 3.5Å; M776-E804 HydrophobicContact SD-CG 3.98Å; M776-F807 HydrophobicContact CE-CB 4.35Å; M776-F807 HydrophobicContact CG-CB 4.29Å; M776-F807 HydrophobicContact CG-CD1 3.48Å; M776-F807 VanDerWaalsContact CG-CD1 3.48Å; M776-F807 HydrophobicContact CG-CD2 4.1Å; M776-F807 HydrophobicContact CG-CE1 3.71Å; M776-F807 HydrophobicContact CG-CE2 4.31Å; M776-F807 HydrophobicContact CG-CG 3.68Å; M776-F807 HydrophobicContact CG-CZ 4.13Å; M776-F807 HydrophobicContact SD-CD1 4.48Å
777	G	97.3	Very high	94.7	Very high	69 Å²	69	53.2 Å²	53.2	71%	0.711	29%	0.294	S	S	*	.	H	α-helix	trans	-72.3	-22.5	176	0	0	0	0	0	114.5	R773 L774 W775	R773-G777 PolarHBondContact O-N 2.88Å; L774-G777 PolarHBondContact O-N 3Å; W775-G777 PolarHBondContact O-N 2.97Å
778	N	96.1	Very high	94.6	Very high	80 Å²	80	51.1 Å²	51.1	43%	0.428	28%	0.284	S	S	.	.	S	Bend	trans	-141.7	79.8	175.2	-171.4	-0.8	0	0	0	110.9	L774 W775 M776 D780 H781	L774-N778 PolarHBondContact O-N 2.85Å; L774-N778 VanDerWaalsContact O-N 3.14Å; W775-N778 CarbonylContact O-C 3.22Å; W775-N778 PolarHBondContact O-N 2.78Å; W775-N778 VanDerWaalsContact O-O 3.13Å; M776-N778 VanDerWaalsContact C-N 3.34Å; N778-D780 PolarHBondContact O-N 3.1Å; N778-D780 VanDerWaalsContact O-N 3.12Å; N778-H781 WeakPolarHBondContact ND2-CB 3.32Å; N778-H781 CarbonylContact O-C 3.54Å; N778-H781 PolarHBondContact O-N 3.29Å
779	P	93.7	Very high	94.5	Very high	50 Å²	50	51.3 Å²	51.3	33%	0.325	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-29.6	-171.2	-27.5	36.3	0	0	0	114.6	W775 H781 F807 M811	W775-P779 PolarHBondContact NE1-O 3.19Å; W775-P779 VanDerWaalsContact NE1-O 3.07Å; W775-P779 WeakPolarHBondContact O-CA 3.14Å; W775-P779 VanDerWaalsContact O-N 3.15Å; P779-H781 VanDerWaalsContact C-N 3.27Å; P779-H781 PolarHBondContact O-N 2.81Å; P779-F807 HydrophobicContact CB-CE2 4.01Å; P779-F807 HydrophobicContact CB-CZ 4.49Å; P779-F807 HydrophobicContact CG-CE2 3.98Å; P779-M811 HydrophobicContact CB-CE 4.29Å; P779-M811 HydrophobicContact CB-SD 4.39Å
780	D	90.3	Very high	94.3	Very high	158 Å²	158	52.3 Å²	52.3	85%	0.845	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-13.8	-179.6	-59.7	-38	0	0	0	112.6	N778	N778-D780 PolarHBondContact O-N 3.1Å; N778-D780 VanDerWaalsContact O-N 3.12Å
781	H	90.3	Very high	94.2	Very high	133 Å²	133	50 Å²	50	62%	0.616	28%	0.278	S	S	*	.	S	Bend	trans	-128.4	89.5	-179.5	-157.7	73.7	0	0	0	111.2	N778 P779 P783	N778-H781 WeakPolarHBondContact ND2-CB 3.32Å; N778-H781 CarbonylContact O-C 3.54Å; N778-H781 PolarHBondContact O-N 3.29Å; P779-H781 VanDerWaalsContact C-N 3.27Å; P779-H781 PolarHBondContact O-N 2.81Å; H781-P783 VanDerWaalsContact O-CD 3.27Å; H781-P783 WeakPolarHBondContact O-CD 3.27Å
782	N	92.6	Very high	94.2	Very high	37 Å²	37	49 Å²	49	20%	0.198	27%	0.274	C	S	.	.			trans	-78	111.7	178.5	-171	-20.5	0	0	0	111.1	W775 I784 Y793	W775-N782 VanDerWaalsContact CD1-CA 3.48Å; W775-N782 HydrophobicContact CD2-CB 4.27Å; W775-N782 HydrophobicContact CG-CB 4.1Å; N782-I784 PolarHBondContact O-N 3Å; N782-I784 VanDerWaalsContact OD1-CB 3.23Å; N782-I784 WeakPolarHBondContact OD1-CB 3.28Å; N782-I784 WeakPolarHBondContact OD1-CD1 3.38Å; N782-I784 WeakPolarHBondContact OD1-CG1 3.48Å; N782-I784 PolarHBondContact OD1-N 2.92Å; N782-Y793 PolarHBondContact ND2-OH 3.06Å
783	P	92.1	Very high	94.2	Very high	51 Å²	51	48.9 Å²	48.9	33%	0.331	27%	0.274	S	S	.	.			trans	-81.2	-0.6	-176.6	36.4	-35.5	0	0	0	113.1	L774 W775 H781	L774-P783 HydrophobicContact CB-CG 3.95Å; W775-P783 HydrophobicContact CB-CG 4.48Å; H781-P783 VanDerWaalsContact O-CD 3.27Å; H781-P783 WeakPolarHBondContact O-CD 3.27Å
784	I	93.7	Very high	94.2	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.036	25%	0.253	C	S	.	.	S	Bend	trans	-80.7	126.2	-173.8	-61.6	161.2	0	0	0	109.6	W771 F772 W775 N782 S786 L788 K789 V792 Y793	W771-I784 HydrophobicContact CB-CD1 4.43Å; W771-I784 HydrophobicContact CB-CG1 3.79Å; W771-I784 HydrophobicContact CG-CG1 4.4Å; F772-I784 HydrophobicContact CD2-CD1 4.46Å; W775-I784 HydrophobicContact CE3-CD1 4.14Å; N782-I784 PolarHBondContact O-N 3Å; N782-I784 VanDerWaalsContact OD1-CB 3.23Å; N782-I784 WeakPolarHBondContact OD1-CB 3.28Å; N782-I784 WeakPolarHBondContact OD1-CD1 3.38Å; N782-I784 WeakPolarHBondContact OD1-CG1 3.48Å; N782-I784 PolarHBondContact OD1-N 2.92Å; I784-S786 PolarHBondContact O-N 2.94Å; I784-L788 HydrophobicContact CG2-CB 4.48Å; I784-K789 HydrophobicContact CB-CG 4.06Å; I784-K789 HydrophobicContact CG2-CB 4.33Å; I784-K789 HydrophobicContact CG2-CG 3.69Å; I784-K789 WeakPolarHBondContact O-CE 3.4Å; I784-V792 HydrophobicContact CD1-CB 4.28Å; I784-V792 HydrophobicContact CD1-CG1 3.45Å; I784-V792 VanDerWaalsContact CD1-CG1 3.45Å; I784-V792 HydrophobicContact CG1-CG1 3.87Å; I784-V792 HydrophobicContact CG2-CB 3.87Å; I784-V792 HydrophobicContact CG2-CG1 4.06Å; I784-V792 HydrophobicContact CG2-CG2 3.79Å; I784-Y793 HydrophobicContact CD1-CD1 3.99Å; I784-Y793 HydrophobicContact CD1-CE1 3.58Å
785	P	91.6	Very high	94.2	Very high	29 Å²	29	37.9 Å²	37.9	19%	0.188	23%	0.231	C	C	.	.			trans	-53.5	136.4	174.1	-26.4	35.1	0	0	0	111.5	D787 L788 K789	P785-D787 PolarHBondContact O-N 3.14Å; P785-D787 VanDerWaalsContact O-N 3.15Å; P785-L788 HydrophobicContact CB-CB 4.44Å; P785-L788 HydrophobicContact CB-CD1 4.37Å; P785-L788 HydrophobicContact CB-CG 4.32Å; P785-L788 HydrophobicContact CG-CD1 4.27Å; P785-L788 PolarHBondContact O-N 3.13Å; P785-K789 PolarHBondContact O-N 3.03Å; P785-K789 VanDerWaalsContact O-N 3.14Å
786	S	90.9	Very high	94.2	Very high	26 Å²	26	37.7 Å²	37.7	18%	0.182	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-36	-170.9	56	0	0	0	0	113.6	S369 I784 R823	S369-S786 VanDerWaalsContact O-CB 3.23Å; S369-S786 WeakPolarHBondContact O-CB 3.41Å; S369-S786 PolarHBondContact O-OG 2.99Å; I784-S786 PolarHBondContact O-N 2.94Å; S786-R823 PolarHBondContact O-NH2 2.93Å
787	D	91.6	Very high	94.3	Very high	10 Å²	10	36 Å²	36	5%	0.053	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-35.2	175.4	-70.3	-23.1	0	0	0	113.4	S370 T371 I750 P785	S370-D787 WeakPolarHBondContact CA-OD1 3.23Å; S370-D787 WeakPolarHBondContact CB-OD1 3.31Å; T371-D787 WeakPolarHBondContact CB-OD1 3.43Å; T371-D787 PolarHBondContact N-OD1 2.92Å; I750-D787 HydrophobicContact CD1-CB 4.06Å; I750-D787 HydrophobicContact CG1-CB 4.13Å; I750-D787 WeakPolarHBondContact CG1-O 3.39Å; P785-D787 PolarHBondContact O-N 3.14Å; P785-D787 VanDerWaalsContact O-N 3.15Å
788	L	94.2	Very high	94.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-12.3	-174.6	-58.8	-175.7	0	0	0	113.1	W736 Q749 I750 V753 W771 I784 P785 A790 T791 V792	W736-L788 HydrophobicContact CE3-CD1 4.12Å; Q749-L788 HydrophobicContact CG-CD2 4.2Å; I750-L788 HydrophobicContact CG1-CD2 4.35Å; V753-L788 HydrophobicContact CB-CD2 4.22Å; V753-L788 HydrophobicContact CG2-CD1 4.32Å; V753-L788 HydrophobicContact CG2-CD2 3.93Å; W771-L788 HydrophobicContact CH2-CD1 3.94Å; W771-L788 HydrophobicContact CZ3-CD1 4.17Å; I784-L788 HydrophobicContact CG2-CB 4.48Å; P785-L788 HydrophobicContact CB-CB 4.44Å; P785-L788 HydrophobicContact CB-CD1 4.37Å; P785-L788 HydrophobicContact CB-CG 4.32Å; P785-L788 HydrophobicContact CG-CD1 4.27Å; P785-L788 PolarHBondContact O-N 3.13Å; L788-A790 PolarHBondContact O-N 3.32Å; L788-T791 PolarHBondContact O-N 2.85Å; L788-T791 VanDerWaalsContact O-N 3.1Å; L788-V792 HydrophobicContact CB-CG2 3.98Å; L788-V792 WeakPolarHBondContact O-CB 3.4Å; L788-V792 VanDerWaalsContact O-CG2 3.23Å; L788-V792 WeakPolarHBondContact O-CG2 3.07Å; L788-V792 PolarHBondContact O-N 3.22Å
789	K	94.3	Very high	94.2	Very high	5 Å²	5	31.9 Å²	31.9	2%	0.022	19%	0.185	C	C	.	.	H	α-helix	trans	-48.5	-51.4	-176.7	-79.3	179.7	175	-179	0	113.7	I784 P785 T791 V792 Y793	I784-K789 HydrophobicContact CB-CG 4.06Å; I784-K789 HydrophobicContact CG2-CB 4.33Å; I784-K789 HydrophobicContact CG2-CG 3.69Å; I784-K789 WeakPolarHBondContact O-CE 3.4Å; P785-K789 PolarHBondContact O-N 3.03Å; P785-K789 VanDerWaalsContact O-N 3.14Å; K789-T791 VanDerWaalsContact C-N 3.31Å; K789-T791 PolarHBondContact O-N 3.26Å; K789-V792 PolarHBondContact O-N 3.42Å; K789-Y793 HydrophobicContact CB-CE1 4.19Å; K789-Y793 HydrophobicContact CB-CE2 3.96Å; K789-Y793 WeakPolarHBondContact CD-OH 3.48Å; K789-Y793 HydrophobicContact CG-CE1 4.18Å; K789-Y793 HydrophobicContact CG-CE2 4.46Å; K789-Y793 WeakPolarHBondContact CG-OH 3.34Å; K789-Y793 WeakPolarHBondContact O-CB 3.4Å; K789-Y793 VanDerWaalsContact O-CD1 3.29Å; K789-Y793 WeakPolarHBondContact O-CD1 3.18Å; K789-Y793 WeakPolarHBondContact O-CD2 3.42Å; K789-Y793 PolarHBondContact O-N 3.4Å
790	A	92.2	Very high	94.3	Very high	45 Å²	45	30.8 Å²	30.8	37%	0.372	18%	0.183	S	C	.	.	H	α-helix	trans	-57.6	-46.1	-178.5	0	0	0	0	0	111.9	L788 C794 R823	L788-A790 PolarHBondContact O-N 3.32Å; A790-C794 VanDerWaalsContact O-CB 3.32Å; A790-C794 WeakPolarHBondContact O-CB 3.25Å; A790-C794 PolarHBondContact O-N 3.4Å; A790-C794 VanDerWaalsContact O-N 3.16Å; A790-R823 HydrophobicContact CB-CG 4.25Å
791	T	93.6	Very high	94.6	Very high	9 Å²	9	24.3 Å²	24.3	6%	0.055	15%	0.154	C	C	.	.	H	α-helix	trans	-67	-46.3	178.5	-63.9	0	0	0	0	112	V753 W754 L788 K789 S795	V753-T791 HydrophobicContact CB-CG2 4.3Å; V753-T791 HydrophobicContact CG1-CG2 3.75Å; W754-T791 VanDerWaalsContact CA-CG2 3.42Å; W754-T791 HydrophobicContact CB-CG2 3.84Å; L788-T791 PolarHBondContact O-N 2.85Å; L788-T791 VanDerWaalsContact O-N 3.1Å; K789-T791 VanDerWaalsContact C-N 3.31Å; K789-T791 PolarHBondContact O-N 3.26Å; T791-S795 WeakPolarHBondContact O-CB 3.36Å; T791-S795 PolarHBondContact O-N 3.25Å; T791-S795 PolarHBondContact O-OG 3.2Å
792	V	96.5	Very high	94.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.5	-46.1	-177.7	173.8	0	0	0	0	110.2	V768 W771 I784 L788 K789 S795 A796	V768-V792 HydrophobicContact CG1-CB 4.49Å; V768-V792 HydrophobicContact CG1-CG1 4.06Å; V768-V792 WeakPolarHBondContact CG1-O 3.04Å; V768-V792 HydrophobicContact CG2-CG2 4.15Å; W771-V792 HydrophobicContact CB-CG1 4.38Å; W771-V792 HydrophobicContact CE3-CG1 4.34Å; W771-V792 HydrophobicContact CE3-CG2 3.72Å; W771-V792 HydrophobicContact CZ3-CG2 3.89Å; I784-V792 HydrophobicContact CD1-CB 4.28Å; I784-V792 HydrophobicContact CD1-CG1 3.45Å; I784-V792 VanDerWaalsContact CD1-CG1 3.45Å; I784-V792 HydrophobicContact CG1-CG1 3.87Å; I784-V792 HydrophobicContact CG2-CB 3.87Å; I784-V792 HydrophobicContact CG2-CG1 4.06Å; I784-V792 HydrophobicContact CG2-CG2 3.79Å; L788-V792 HydrophobicContact CB-CG2 3.98Å; L788-V792 WeakPolarHBondContact O-CB 3.4Å; L788-V792 VanDerWaalsContact O-CG2 3.23Å; L788-V792 WeakPolarHBondContact O-CG2 3.07Å; L788-V792 PolarHBondContact O-N 3.22Å; K789-V792 PolarHBondContact O-N 3.42Å; V792-S795 PolarHBondContact O-N 3.36Å; V792-A796 WeakPolarHBondContact O-CB 3.29Å; V792-A796 PolarHBondContact O-N 3.28Å
793	Y	97.6	Very high	95.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-60	-52.3	177.7	-60.9	-12	0	0	0	111.1	F772 W775 N782 I784 K789 S795 A796 I797 E820 R823 L824 A827	F772-Y793 HydrophobicContact CD2-CD1 4.15Å; F772-Y793 AromaticContact CE2-CD1 3.97Å; F772-Y793 HydrophobicContact CE2-CD1 3.97Å; W775-Y793 HydrophobicContact CE3-CD1 4.3Å; W775-Y793 AromaticContact CE3-CE1 3.73Å; W775-Y793 HydrophobicContact CE3-CE1 3.73Å; W775-Y793 HydrophobicContact CH2-CE1 4Å; W775-Y793 AromaticContact CH2-CZ 3.89Å; W775-Y793 AromaticContact CZ3-CD1 3.79Å; W775-Y793 HydrophobicContact CZ3-CD1 3.79Å; W775-Y793 AromaticContact CZ3-CE1 3.29Å; W775-Y793 HydrophobicContact CZ3-CE1 3.29Å; W775-Y793 HydrophobicContact CZ3-CE2 4.45Å; W775-Y793 AromaticContact CZ3-CZ 3.67Å; N782-Y793 PolarHBondContact ND2-OH 3.06Å; I784-Y793 HydrophobicContact CD1-CD1 3.99Å; I784-Y793 HydrophobicContact CD1-CE1 3.58Å; K789-Y793 HydrophobicContact CB-CE1 4.19Å; K789-Y793 HydrophobicContact CB-CE2 3.96Å; K789-Y793 WeakPolarHBondContact CD-OH 3.48Å; K789-Y793 HydrophobicContact CG-CE1 4.18Å; K789-Y793 HydrophobicContact CG-CE2 4.46Å; K789-Y793 WeakPolarHBondContact CG-OH 3.34Å; K789-Y793 WeakPolarHBondContact O-CB 3.4Å; K789-Y793 VanDerWaalsContact O-CD1 3.29Å; K789-Y793 WeakPolarHBondContact O-CD1 3.18Å; K789-Y793 WeakPolarHBondContact O-CD2 3.42Å; K789-Y793 PolarHBondContact O-N 3.4Å; Y793-S795 PolarHBondContact O-N 3.36Å; Y793-A796 PolarHBondContact O-N 3.35Å; Y793-I797 WeakPolarHBondContact O-CB 3.34Å; Y793-I797 WeakPolarHBondContact O-CD1 3.44Å; Y793-I797 WeakPolarHBondContact O-CG1 3.46Å; Y793-I797 PolarHBondContact O-N 2.99Å; Y793-E820 WeakPolarHBondContact CE2-OE1 3.01Å; Y793-E820 PolarHBondContact OH-OE1 3.5Å; Y793-R823 HydrophobicContact CD2-CB 4.5Å; Y793-L824 HydrophobicContact CD2-CD2 3.52Å; Y793-L824 HydrophobicContact CD2-CG 4.01Å; Y793-L824 HydrophobicContact CE2-CD2 3.59Å; Y793-L824 HydrophobicContact CE2-CG 3.86Å; Y793-L824 HydrophobicContact CG-CD2 4.18Å; Y793-A827 VanDerWaalsContact CB-CB 3.41Å
794	C	97.6	Very high	95.5	Very high	33 Å²	33	23.8 Å²	23.8	22%	0.223	15%	0.152	C	C	.	.	H	α-helix	trans	-60.3	-46.9	-178.7	172.8	0	0	0	0	111.3	A790 G798 A827 C830	A790-C794 VanDerWaalsContact O-CB 3.32Å; A790-C794 WeakPolarHBondContact O-CB 3.25Å; A790-C794 PolarHBondContact O-N 3.4Å; A790-C794 VanDerWaalsContact O-N 3.16Å; C794-G798 PolarHBondContact O-N 2.81Å; C794-A827 HydrophobicContact CB-CB 4.21Å; C794-C830 HydrophobicContact CB-CB 3.89Å; C794-C830 WeakPolarHBondContact CB-SG 3.27Å; C794-C830 WeakPolarHBondContact O-CB 3.44Å; C794-C830 WeakPolarHBondContact SG-CB 3.46Å; C794-C830 CovalentContact SG-SG 2.03Å; C794-C830 PolarHBondContact SG-SG 2.77Å
795	S	97.4	Very high	95.7	Very high	10 Å²	10	23.4 Å²	23.4	7%	0.07	15%	0.15	C	C	.	.	H	α-helix	trans	-68.2	-44.7	-178	-61.5	0	0	0	0	111.7	T791 V792 Y793 G798 F799	T791-S795 WeakPolarHBondContact O-CB 3.36Å; T791-S795 PolarHBondContact O-N 3.25Å; T791-S795 PolarHBondContact O-OG 3.2Å; V792-S795 PolarHBondContact O-N 3.36Å; Y793-S795 PolarHBondContact O-N 3.36Å; S795-G798 CarbonylContact O-C 3.25Å; S795-G798 PolarHBondContact O-N 3.33Å; S795-F799 WeakPolarHBondContact O-CD2 3.4Å; S795-F799 WeakPolarHBondContact O-CG 3.28Å; S795-F799 PolarHBondContact O-N 3.33Å
796	A	97.8	Very high	96.1	Very high	4 Å²	4	25.4 Å²	25.4	3%	0.033	16%	0.159	C	C	.	.	H	α-helix	trans	-61.9	-46.4	177.6	0	0	0	0	0	111.9	V768 F772 V792 Y793 G798 F799 G800	V768-A796 HydrophobicContact CG1-CB 3.89Å; F772-A796 HydrophobicContact CB-CB 3.49Å; F772-A796 VanDerWaalsContact CB-CB 3.49Å; F772-A796 HydrophobicContact CD1-CB 3.96Å; F772-A796 HydrophobicContact CD2-CB 3.65Å; F772-A796 HydrophobicContact CE2-CB 4.35Å; F772-A796 HydrophobicContact CG-CB 3.41Å; F772-A796 VanDerWaalsContact CG-CB 3.41Å; V792-A796 WeakPolarHBondContact O-CB 3.29Å; V792-A796 PolarHBondContact O-N 3.28Å; Y793-A796 PolarHBondContact O-N 3.35Å; A796-G798 VanDerWaalsContact C-N 3.27Å; A796-G798 PolarHBondContact O-N 2.95Å; A796-F799 PolarHBondContact O-N 3.3Å; A796-F799 VanDerWaalsContact O-N 3.12Å; A796-G800 PolarHBondContact O-N 3.21Å
797	I	98.3	Very high	96.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-35.8	175.1	-67.2	167.8	0	0	0	111.1	F772 Y793 F799 A808 A827	F772-I797 HydrophobicContact CZ-CG1 4.28Å; Y793-I797 WeakPolarHBondContact O-CB 3.34Å; Y793-I797 WeakPolarHBondContact O-CD1 3.44Å; Y793-I797 WeakPolarHBondContact O-CG1 3.46Å; Y793-I797 PolarHBondContact O-N 2.99Å; I797-F799 VanDerWaalsContact C-N 3.33Å; I797-A808 HydrophobicContact CD1-CB 3.59Å; I797-A808 HydrophobicContact CG1-CB 4.37Å; I797-A827 HydrophobicContact CD1-CB 4.01Å
798	G	96.9	Very high	96.7	Very high	10 Å²	10	24.9 Å²	24.9	10%	0.103	15%	0.153	C	C	.	.	H	α-helix	trans	-70.6	-24.4	174.8	0	0	0	0	0	114.4	C794 S795 A796 C830 K832	C794-G798 PolarHBondContact O-N 2.81Å; S795-G798 CarbonylContact O-C 3.25Å; S795-G798 PolarHBondContact O-N 3.33Å; A796-G798 VanDerWaalsContact C-N 3.27Å; A796-G798 PolarHBondContact O-N 2.95Å; G798-C830 VanDerWaalsContact CA-O 3.25Å; G798-C830 WeakPolarHBondContact CA-O 3.14Å; G798-K832 WeakPolarHBondContact O-CD 3.36Å; G798-K832 WeakPolarHBondContact O-CE 3.25Å
799	F	96.3	Very high	96.9	Very high	52 Å²	52	26.7 Å²	26.7	23%	0.228	16%	0.16	C	C	.	.	H	α-helix	trans	-91.2	-26.2	175.1	-58.8	-34.2	0	0	0	113.5	C757 R765 V768 S795 A796 I797	C757-F799 HydrophobicContact CB-CZ 4.24Å; R765-F799 HydrophobicContact CB-CE2 4.03Å; R765-F799 HydrophobicContact CB-CZ 4.21Å; R765-F799 HydrophobicContact CG-CD1 4.47Å; R765-F799 HydrophobicContact CG-CD2 3.83Å; R765-F799 HydrophobicContact CG-CE1 4.45Å; R765-F799 HydrophobicContact CG-CE2 3.81Å; R765-F799 HydrophobicContact CG-CG 4.19Å; R765-F799 HydrophobicContact CG-CZ 4.13Å; V768-F799 HydrophobicContact CG1-CD2 4.47Å; V768-F799 HydrophobicContact CG1-CE2 4.32Å; S795-F799 WeakPolarHBondContact O-CD2 3.4Å; S795-F799 WeakPolarHBondContact O-CG 3.28Å; S795-F799 PolarHBondContact O-N 3.33Å; A796-F799 PolarHBondContact O-N 3.3Å; A796-F799 VanDerWaalsContact O-N 3.12Å; I797-F799 VanDerWaalsContact C-N 3.33Å
800	G	95.4	Very high	97.1	Very high	27 Å²	27	32.3 Å²	32.3	28%	0.278	18%	0.184	S	C	.	.	S	Bend	trans	-91.2	-156.2	-177.6	0	0	0	0	0	114.2	A796 E804	A796-G800 PolarHBondContact O-N 3.21Å; G800-E804 WeakPolarHBondContact CA-OE2 3.47Å
801	G	95.3	Very high	97.3	Very high	23 Å²	23	31.5 Å²	31.5	24%	0.237	17%	0.173	C	C	.	.			trans	-135.8	-143.2	-177.5	0	0	0	0	0	113	E803 E804 W805	G801-E803 VanDerWaalsContact C-N 3.32Å; G801-E803 PolarHBondContact O-N 2.84Å; G801-E804 PolarHBondContact N-OE2 3.4Å; G801-W805 WeakPolarHBondContact O-CB 3.46Å; G801-W805 PolarHBondContact O-N 3.25Å
802	A	97.9	Very high	97.3	Very high	36 Å²	36	32.1 Å²	32.1	30%	0.298	18%	0.175	S	C	.	.	H	α-helix	trans	-67.5	-31.8	-177.8	0	0	0	0	0	112.9	W805 D806 W835 L836	A802-W805 PolarHBondContact O-N 2.98Å; A802-D806 VanDerWaalsContact O-CB 3.29Å; A802-D806 WeakPolarHBondContact O-CB 3.49Å; A802-D806 VanDerWaalsContact O-CG 3.26Å; A802-D806 PolarHBondContact O-N 3.13Å; A802-W835 HydrophobicContact CB-CH2 4.4Å; A802-W835 HydrophobicContact CB-CZ2 4.02Å; A802-L836 HydrophobicContact CB-CD1 4.48Å
803	E	98.2	Very high	97.1	Very high	141 Å²	141	36.4 Å²	36.4	66%	0.659	20%	0.195	S	C	*	.	H	α-helix	trans	-63.4	-51	-178.9	-164.3	-171.2	159.4	0	0	111.6	M776 G801 W805 D806 F807	M776-E803 HydrophobicContact CE-CB 4.42Å; M776-E803 HydrophobicContact CE-CG 3.63Å; M776-E803 WeakPolarHBondContact CE-OE1 3.5Å; G801-E803 VanDerWaalsContact C-N 3.32Å; G801-E803 PolarHBondContact O-N 2.84Å; E803-W805 VanDerWaalsContact C-N 3.3Å; E803-W805 PolarHBondContact O-N 2.99Å; E803-D806 PolarHBondContact O-N 2.82Å; E803-F807 WeakPolarHBondContact O-CB 3.46Å; E803-F807 PolarHBondContact O-N 3.47Å
804	E	98.4	Very high	96.7	Very high	32 Å²	32	41.7 Å²	41.7	15%	0.15	22%	0.224	C	C	.	.	H	α-helix	trans	-63.2	-38.3	176.8	-66.4	84.7	168.6	0	0	111.8	F772 M776 G800 G801 A808	F772-E804 HydrophobicContact CD1-CB 4.3Å; F772-E804 HydrophobicContact CD1-CG 3.96Å; F772-E804 HydrophobicContact CE1-CB 3.66Å; F772-E804 HydrophobicContact CE1-CG 3.81Å; F772-E804 HydrophobicContact CZ-CB 4.43Å; M776-E804 HydrophobicContact SD-CG 3.98Å; G800-E804 WeakPolarHBondContact CA-OE2 3.47Å; G801-E804 PolarHBondContact N-OE2 3.4Å; E804-A808 WeakPolarHBondContact O-CB 3.33Å; E804-A808 PolarHBondContact O-N 2.76Å
805	W	98.6	Very high	96.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-68	-48.3	179.3	-164	97.7	0	0	0	112	G801 A802 E803 F807 A808 W809 L828 L836 Y840 Y843	G801-W805 WeakPolarHBondContact O-CB 3.46Å; G801-W805 PolarHBondContact O-N 3.25Å; A802-W805 PolarHBondContact O-N 2.98Å; E803-W805 VanDerWaalsContact C-N 3.3Å; E803-W805 PolarHBondContact O-N 2.99Å; W805-F807 VanDerWaalsContact C-N 3.31Å; W805-F807 PolarHBondContact O-N 2.78Å; W805-A808 PolarHBondContact O-N 3.19Å; W805-W809 HydrophobicContact CE3-CB 3.95Å; W805-W809 HydrophobicContact CH2-CB 4.3Å; W805-W809 HydrophobicContact CH2-CD2 4.06Å; W805-W809 AromaticContact CH2-CE3 3.85Å; W805-W809 HydrophobicContact CH2-CE3 3.85Å; W805-W809 HydrophobicContact CH2-CG 4.24Å; W805-W809 HydrophobicContact CZ3-CB 3.61Å; W805-W809 HydrophobicContact CZ3-CD2 4.06Å; W805-W809 HydrophobicContact CZ3-CE3 4.27Å; W805-W809 AromaticContact CZ3-CG 3.76Å; W805-W809 HydrophobicContact CZ3-CG 3.76Å; W805-W809 WeakPolarHBondContact O-CB 3.48Å; W805-W809 PolarHBondContact O-N 3.32Å; W805-L828 HydrophobicContact CD2-CD2 3.6Å; W805-L828 VanDerWaalsContact CE2-CD2 3.45Å; W805-L828 HydrophobicContact CE3-CD2 4.11Å; W805-L828 HydrophobicContact CG-CD2 3.88Å; W805-L828 HydrophobicContact CH2-CD2 4.34Å; W805-L828 HydrophobicContact CZ2-CB 4.26Å; W805-L828 HydrophobicContact CZ2-CD2 3.86Å; W805-L828 HydrophobicContact CZ3-CD2 4.44Å; W805-L828 PolarHBondContact NE1-O 3.36Å; W805-L828 WeakPolarHBondContact O-CD2 3.29Å; W805-L836 HydrophobicContact CB-CD1 3.89Å; W805-L836 HydrophobicContact CD2-CD2 4.15Å; W805-L836 HydrophobicContact CE3-CD2 4.31Å; W805-L836 HydrophobicContact CG-CD1 3.91Å; W805-L836 HydrophobicContact CG-CD2 4.3Å; W805-Y840 HydrophobicContact CZ2-CD1 4.25Å; W805-Y840 HydrophobicContact CZ2-CD2 4.17Å; W805-Y840 AromaticContact CZ2-CG 3.88Å; W805-Y840 HydrophobicContact CZ2-CG 3.88Å; W805-Y843 HydrophobicContact CH2-CD2 4.42Å; W805-Y843 AromaticContact CH2-CE2 3.96Å; W805-Y843 HydrophobicContact CH2-CE2 3.96Å; W805-Y843 HydrophobicContact CZ3-CE2 4.45Å
806	D	98.5	Very high	95.4	Very high	71 Å²	71	43.7 Å²	43.7	38%	0.38	24%	0.24	S	C	.	.	H	α-helix	trans	-66.6	-35.3	-179.2	-72.5	-22.2	0	0	0	111.1	A802 E803 W809 K810 R839	A802-D806 VanDerWaalsContact O-CB 3.29Å; A802-D806 WeakPolarHBondContact O-CB 3.49Å; A802-D806 VanDerWaalsContact O-CG 3.26Å; A802-D806 PolarHBondContact O-N 3.13Å; E803-D806 PolarHBondContact O-N 2.82Å; D806-W809 PolarHBondContact O-N 2.96Å; D806-K810 PolarHBondContact O-N 2.59Å; D806-R839 IonicContact OD1-CZ 2.69Å; D806-R839 IonicContact OD1-NH1 3.74Å; D806-R839 IonicContact OD1-NH2 2.75Å; D806-R839 PolarHBondContact OD1-NH2 3.06Å
807	F	98.5	Very high	94.7	Very high	24 Å²	24	43.8 Å²	43.8	11%	0.105	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-52.3	170.1	172.2	-101.8	0	0	0	111.8	F772 W775 M776 P779 E803 W805 W809 K810 M811	F772-F807 AromaticContact CE1-CD1 3.9Å; F772-F807 HydrophobicContact CE1-CD1 3.9Å; F772-F807 HydrophobicContact CE1-CE1 4.43Å; F772-F807 AromaticContact CZ-CD1 3.76Å; F772-F807 HydrophobicContact CZ-CD1 3.76Å; F772-F807 HydrophobicContact CZ-CE1 4.17Å; W775-F807 AromaticContact CD2-CE1 3.59Å; W775-F807 HydrophobicContact CD2-CE1 3.59Å; W775-F807 AromaticContact CD2-CZ 3.68Å; W775-F807 HydrophobicContact CD2-CZ 3.68Å; W775-F807 AromaticContact CE2-CE1 3.88Å; W775-F807 AromaticContact CE2-CZ 3.65Å; W775-F807 AromaticContact CE3-CE1 3.48Å; W775-F807 HydrophobicContact CE3-CE1 3.48Å; W775-F807 VanDerWaalsContact CE3-CE1 3.48Å; W775-F807 HydrophobicContact CE3-CZ 4.08Å; W775-F807 HydrophobicContact CG-CE1 4.2Å; W775-F807 HydrophobicContact CG-CZ 4Å; W775-F807 AromaticContact CH2-CE1 3.95Å; W775-F807 HydrophobicContact CH2-CE1 3.95Å; W775-F807 HydrophobicContact CH2-CZ 4.36Å; W775-F807 HydrophobicContact CZ2-CE1 4.07Å; W775-F807 HydrophobicContact CZ2-CZ 4.03Å; W775-F807 AromaticContact CZ3-CE1 3.65Å; W775-F807 HydrophobicContact CZ3-CE1 3.65Å; W775-F807 HydrophobicContact CZ3-CZ 4.39Å; W775-F807 AromaticContact NE1-CZ 3.93Å; M776-F807 HydrophobicContact CE-CB 4.35Å; M776-F807 HydrophobicContact CG-CB 4.29Å; M776-F807 HydrophobicContact CG-CD1 3.48Å; M776-F807 VanDerWaalsContact CG-CD1 3.48Å; M776-F807 HydrophobicContact CG-CD2 4.1Å; M776-F807 HydrophobicContact CG-CE1 3.71Å; M776-F807 HydrophobicContact CG-CE2 4.31Å; M776-F807 HydrophobicContact CG-CG 3.68Å; M776-F807 HydrophobicContact CG-CZ 4.13Å; M776-F807 HydrophobicContact SD-CD1 4.48Å; P779-F807 HydrophobicContact CB-CE2 4.01Å; P779-F807 HydrophobicContact CB-CZ 4.49Å; P779-F807 HydrophobicContact CG-CE2 3.98Å; E803-F807 WeakPolarHBondContact O-CB 3.46Å; E803-F807 PolarHBondContact O-N 3.47Å; W805-F807 VanDerWaalsContact C-N 3.31Å; W805-F807 PolarHBondContact O-N 2.78Å; F807-W809 VanDerWaalsContact C-N 3.26Å; F807-W809 PolarHBondContact O-N 2.96Å; F807-K810 WeakPolarHBondContact O-CB 3.45Å; F807-K810 PolarHBondContact O-N 2.88Å; F807-K810 VanDerWaalsContact O-N 3.13Å; F807-M811 HydrophobicContact CD1-CG 4.38Å; F807-M811 HydrophobicContact CD2-CG 4.42Å; F807-M811 HydrophobicContact CE1-CG 3.95Å; F807-M811 HydrophobicContact CE2-CE 4.16Å; F807-M811 HydrophobicContact CE2-CG 3.97Å; F807-M811 HydrophobicContact CE2-SD 4.11Å; F807-M811 HydrophobicContact CZ-CG 3.72Å; F807-M811 HydrophobicContact CZ-SD 4.05Å; F807-M811 WeakPolarHBondContact O-CG 3.26Å; F807-M811 PolarHBondContact O-N 3.43Å
808	A	98.1	Very high	94	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-35.5	178.2	0	0	0	0	0	112.4	F772 I797 E804 W805 M811 F812 L824 L828	F772-A808 HydrophobicContact CZ-CB 4.35Å; I797-A808 HydrophobicContact CD1-CB 3.59Å; I797-A808 HydrophobicContact CG1-CB 4.37Å; E804-A808 WeakPolarHBondContact O-CB 3.33Å; E804-A808 PolarHBondContact O-N 2.76Å; W805-A808 PolarHBondContact O-N 3.19Å; A808-M811 PolarHBondContact O-N 3.18Å; A808-F812 WeakPolarHBondContact O-CB 3.41Å; A808-F812 PolarHBondContact O-N 2.84Å; A808-L824 HydrophobicContact CB-CD2 4.25Å; A808-L828 HydrophobicContact CB-CD2 3.84Å; A808-L828 HydrophobicContact CB-CG 4.41Å
809	W	98	Very high	93.6	Very high	38 Å²	38	44.8 Å²	44.8	14%	0.144	25%	0.246	C	C	.	.	H	α-helix	trans	-63	-44.4	174.1	179	-103.7	0	0	0	111.7	W805 D806 F807 M811 F812 Q813 L828 Y840 Y843 K849 I850	W805-W809 HydrophobicContact CE3-CB 3.95Å; W805-W809 HydrophobicContact CH2-CB 4.3Å; W805-W809 HydrophobicContact CH2-CD2 4.06Å; W805-W809 AromaticContact CH2-CE3 3.85Å; W805-W809 HydrophobicContact CH2-CE3 3.85Å; W805-W809 HydrophobicContact CH2-CG 4.24Å; W805-W809 HydrophobicContact CZ3-CB 3.61Å; W805-W809 HydrophobicContact CZ3-CD2 4.06Å; W805-W809 HydrophobicContact CZ3-CE3 4.27Å; W805-W809 AromaticContact CZ3-CG 3.76Å; W805-W809 HydrophobicContact CZ3-CG 3.76Å; W805-W809 WeakPolarHBondContact O-CB 3.48Å; W805-W809 PolarHBondContact O-N 3.32Å; D806-W809 PolarHBondContact O-N 2.96Å; F807-W809 VanDerWaalsContact C-N 3.26Å; F807-W809 PolarHBondContact O-N 2.96Å; W809-M811 VanDerWaalsContact C-N 3.34Å; W809-M811 PolarHBondContact O-N 3.1Å; W809-F812 AromaticContact CE3-CD1 3.85Å; W809-F812 HydrophobicContact CE3-CD1 3.85Å; W809-F812 HydrophobicContact CE3-CE1 4.44Å; W809-F812 HydrophobicContact CH2-CD1 4.05Å; W809-F812 AromaticContact CH2-CE1 3.91Å; W809-F812 HydrophobicContact CH2-CE1 3.91Å; W809-F812 AromaticContact CZ3-CD1 3.58Å; W809-F812 HydrophobicContact CZ3-CD1 3.58Å; W809-F812 AromaticContact CZ3-CE1 3.71Å; W809-F812 HydrophobicContact CZ3-CE1 3.71Å; W809-F812 WeakPolarHBondContact O-CB 3.33Å; W809-F812 PolarHBondContact O-N 2.87Å; W809-Q813 HydrophobicContact CZ2-CG 4.2Å; W809-Q813 WeakPolarHBondContact O-CG 3.32Å; W809-Q813 PolarHBondContact O-N 3.5Å; W809-L828 HydrophobicContact CB-CD2 4.2Å; W809-L828 HydrophobicContact CE3-CD1 3.71Å; W809-L828 HydrophobicContact CZ3-CD1 4.3Å; W809-Y840 HydrophobicContact CZ3-CD2 4.31Å; W809-Y840 AromaticContact CZ3-CE2 3.85Å; W809-Y840 HydrophobicContact CZ3-CE2 3.85Å; W809-Y843 HydrophobicContact CD2-CD2 4.49Å; W809-Y843 HydrophobicContact CD2-CE2 4.15Å; W809-Y843 AromaticContact CE2-CE2 3.75Å; W809-Y843 HydrophobicContact CE3-CD2 4.31Å; W809-Y843 HydrophobicContact CE3-CE2 4.37Å; W809-Y843 AromaticContact CH2-CD2 3.4Å; W809-Y843 HydrophobicContact CH2-CD2 3.4Å; W809-Y843 AromaticContact CH2-CE2 3.93Å; W809-Y843 HydrophobicContact CH2-CE2 3.93Å; W809-Y843 HydrophobicContact CH2-CG 4.29Å; W809-Y843 AromaticContact CZ2-CD2 3.56Å; W809-Y843 HydrophobicContact CZ2-CD2 3.56Å; W809-Y843 AromaticContact CZ2-CE2 3.64Å; W809-Y843 HydrophobicContact CZ2-CE2 3.64Å; W809-Y843 AromaticContact CZ3-CD2 3.8Å; W809-Y843 HydrophobicContact CZ3-CD2 3.8Å; W809-Y843 HydrophobicContact CZ3-CE2 4.28Å; W809-K849 HydrophobicContact CH2-CB 4.13Å; W809-K849 HydrophobicContact CZ2-CB 4.23Å; W809-K849 HydrophobicContact CZ2-CD 4.5Å; W809-K849 HydrophobicContact CZ2-CG 4.37Å; W809-I850 HydrophobicContact CH2-CD1 4.19Å; W809-I850 HydrophobicContact CZ3-CD1 4.17Å
810	K	97.1	Very high	93.3	Very high	124 Å²	124	43.1 Å²	43.1	54%	0.539	24%	0.239	S	C	.	.	H	α-helix	trans	-60.9	-43.6	174.4	-176.4	-176.7	176.4	-175.4	0	111.5	D806 F807 F812 Q813 N814	D806-K810 PolarHBondContact O-N 2.59Å; F807-K810 WeakPolarHBondContact O-CB 3.45Å; F807-K810 PolarHBondContact O-N 2.88Å; F807-K810 VanDerWaalsContact O-N 3.13Å; K810-F812 VanDerWaalsContact C-N 3.33Å; K810-F812 PolarHBondContact O-N 2.97Å; K810-Q813 PolarHBondContact O-N 3.36Å; K810-N814 WeakPolarHBondContact O-CB 3.44Å; K810-N814 PolarHBondContact O-N 3.46Å; K810-N814 VanDerWaalsContact O-N 3.14Å
811	M	96.5	Very high	93.1	Very high	27 Å²	27	42.7 Å²	42.7	13%	0.133	23%	0.233	C	C	.	.	H	α-helix	trans	-64	-39	176.9	-64.1	-62.5	100.2	0	0	111.7	W775 P779 F807 A808 W809 N814 A815 L824	W775-M811 HydrophobicContact CH2-CB 3.88Å; W775-M811 HydrophobicContact CH2-CG 3.66Å; W775-M811 HydrophobicContact CZ2-CB 3.99Å; W775-M811 HydrophobicContact CZ2-CG 3.48Å; W775-M811 VanDerWaalsContact CZ2-CG 3.48Å; W775-M811 HydrophobicContact CZ2-SD 3.78Å; P779-M811 HydrophobicContact CB-CE 4.29Å; P779-M811 HydrophobicContact CB-SD 4.39Å; F807-M811 HydrophobicContact CD1-CG 4.38Å; F807-M811 HydrophobicContact CD2-CG 4.42Å; F807-M811 HydrophobicContact CE1-CG 3.95Å; F807-M811 HydrophobicContact CE2-CE 4.16Å; F807-M811 HydrophobicContact CE2-CG 3.97Å; F807-M811 HydrophobicContact CE2-SD 4.11Å; F807-M811 HydrophobicContact CZ-CG 3.72Å; F807-M811 HydrophobicContact CZ-SD 4.05Å; F807-M811 WeakPolarHBondContact O-CG 3.26Å; F807-M811 PolarHBondContact O-N 3.43Å; A808-M811 PolarHBondContact O-N 3.18Å; W809-M811 VanDerWaalsContact C-N 3.34Å; W809-M811 PolarHBondContact O-N 3.1Å; M811-N814 PolarHBondContact O-N 2.97Å; M811-A815 PolarHBondContact O-N 3.07Å; M811-L824 HydrophobicContact CB-CD1 3.86Å; M811-L824 HydrophobicContact CB-CD2 4.45Å
812	F	95.1	Very high	92.9	Very high	23 Å²	23	43.9 Å²	43.9	10%	0.101	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-46.2	175.6	166.6	-113.4	0	0	0	112	A808 W809 K810 N814 A815 A821 L824 R825 L828 I850	A808-F812 WeakPolarHBondContact O-CB 3.41Å; A808-F812 PolarHBondContact O-N 2.84Å; W809-F812 AromaticContact CE3-CD1 3.85Å; W809-F812 HydrophobicContact CE3-CD1 3.85Å; W809-F812 HydrophobicContact CE3-CE1 4.44Å; W809-F812 HydrophobicContact CH2-CD1 4.05Å; W809-F812 AromaticContact CH2-CE1 3.91Å; W809-F812 HydrophobicContact CH2-CE1 3.91Å; W809-F812 AromaticContact CZ3-CD1 3.58Å; W809-F812 HydrophobicContact CZ3-CD1 3.58Å; W809-F812 AromaticContact CZ3-CE1 3.71Å; W809-F812 HydrophobicContact CZ3-CE1 3.71Å; W809-F812 WeakPolarHBondContact O-CB 3.33Å; W809-F812 PolarHBondContact O-N 2.87Å; K810-F812 VanDerWaalsContact C-N 3.33Å; K810-F812 PolarHBondContact O-N 2.97Å; F812-N814 VanDerWaalsContact C-N 3.26Å; F812-N814 PolarHBondContact O-N 3.16Å; F812-A815 PolarHBondContact O-N 2.76Å; F812-A821 HydrophobicContact CD2-CB 4.07Å; F812-A821 VanDerWaalsContact CD2-O 3.28Å; F812-A821 WeakPolarHBondContact CD2-O 3.27Å; F812-A821 HydrophobicContact CE2-CB 4.05Å; F812-L824 HydrophobicContact CB-CB 3.93Å; F812-L824 HydrophobicContact CB-CD1 4.4Å; F812-L824 HydrophobicContact CD2-CB 4.45Å; F812-R825 HydrophobicContact CD2-CB 4.14Å; F812-R825 HydrophobicContact CE2-CB 3.84Å; F812-R825 HydrophobicContact CE2-CG 4.26Å; F812-R825 HydrophobicContact CZ-CB 4.4Å; F812-R825 HydrophobicContact CZ-CG 4.35Å; F812-L828 HydrophobicContact CB-CD1 4.39Å; F812-I850 HydrophobicContact CE1-CD1 3.72Å; F812-I850 HydrophobicContact CZ-CD1 3.84Å
813	Q	91	Very high	92.7	Very high	89 Å²	89	43.3 Å²	43.3	42%	0.416	23%	0.228	S	C	.	.	H	α-helix	trans	-65.9	-29.7	179.3	-66.6	-69.2	-73.6	0	0	112.8	W809 K810 K849	W809-Q813 HydrophobicContact CZ2-CG 4.2Å; W809-Q813 WeakPolarHBondContact O-CG 3.32Å; W809-Q813 PolarHBondContact O-N 3.5Å; K810-Q813 PolarHBondContact O-N 3.36Å; Q813-K849 PolarHBondContact NE2-O 3.38Å
814	N	89.7	Confident	92.7	Very high	112 Å²	112	36.7 Å²	36.7	60%	0.599	20%	0.197	S	C	*	.	H	α-helix	trans	-92.3	-5.8	-179.2	-69.9	-0.3	0	0	0	113.8	K810 M811 F812 S816	K810-N814 WeakPolarHBondContact O-CB 3.44Å; K810-N814 PolarHBondContact O-N 3.46Å; K810-N814 VanDerWaalsContact O-N 3.14Å; M811-N814 PolarHBondContact O-N 2.97Å; F812-N814 VanDerWaalsContact C-N 3.26Å; F812-N814 PolarHBondContact O-N 3.16Å; N814-S816 PolarHBondContact O-N 2.79Å
815	A	87.8	Confident	92.6	Very high	33 Å²	33	35.8 Å²	35.8	27%	0.273	19%	0.192	S	C	.	.			trans	-66.4	122.6	-175.1	0	0	0	0	0	111.3	M811 F812 A821	M811-A815 PolarHBondContact O-N 3.07Å; F812-A815 PolarHBondContact O-N 2.76Å; A815-A821 HydrophobicContact CB-CB 3.92Å
816	S	79.6	Confident	92.5	Very high	52 Å²	52	38.3 Å²	38.3	36%	0.364	21%	0.21	S	C	.	.			trans	-82.5	-29.7	174.6	55.8	0	0	0	0	112.9	R300 N814	R300-S816 PolarHBondContact NH2-O 3.28Å; N814-S816 PolarHBondContact O-N 2.79Å
817	L	83.4	Confident	92.5	Very high	6 Å²	6	35 Å²	35	3%	0.031	19%	0.193	C	C	.	.	S	Bend	trans	-94	125.4	-178.5	-176.9	67.6	0	0	0	111.1	D365 L368 S819 E820 A821	D365-L817 HydrophobicContact CB-CD1 4.45Å; D365-L817 HydrophobicContact CB-CD2 3.91Å; L368-L817 HydrophobicContact CB-CD2 3.61Å; L368-L817 HydrophobicContact CD1-CD2 4.04Å; L368-L817 HydrophobicContact CG-CD2 4.49Å; L817-S819 VanDerWaalsContact C-N 3.34Å; L817-S819 WeakPolarHBondContact CD2-OG 3.39Å; L817-S819 VanDerWaalsContact CG-OG 3.3Å; L817-S819 WeakPolarHBondContact CG-OG 3.33Å; L817-S819 PolarHBondContact O-N 2.48Å; L817-E820 HydrophobicContact CB-CB 4.31Å; L817-E820 HydrophobicContact CD2-CB 4.49Å; L817-E820 PolarHBondContact O-N 2.88Å; L817-A821 PolarHBondContact O-N 2.93Å; L817-A821 VanDerWaalsContact O-N 3.09Å
818	A	84.3	Confident	92.5	Very high	23 Å²	23	33.9 Å²	33.9	19%	0.19	19%	0.188	C	C	.	.	H	α-helix	trans	-63.4	-34.8	-176.1	0	0	0	0	0	113.7	E359 T360 A821 S822	E359-A818 HydrophobicContact CB-CB 3.85Å; T360-A818 HydrophobicContact CG2-CB 3.65Å; A818-A821 PolarHBondContact O-N 3.3Å; A818-S822 WeakPolarHBondContact O-CB 3.27Å; A818-S822 PolarHBondContact O-N 3.12Å
819	S	86.9	Confident	92.5	Very high	7 Å²	7	34 Å²	34	5%	0.049	19%	0.189	C	C	.	.	H	α-helix	trans	-66	-38.8	177.6	58.1	0	0	0	0	111.9	L817 S822 R823	L817-S819 VanDerWaalsContact C-N 3.34Å; L817-S819 WeakPolarHBondContact CD2-OG 3.39Å; L817-S819 VanDerWaalsContact CG-OG 3.3Å; L817-S819 WeakPolarHBondContact CG-OG 3.33Å; L817-S819 PolarHBondContact O-N 2.48Å; S819-S822 PolarHBondContact O-N 2.78Å; S819-R823 WeakPolarHBondContact O-CG 3.34Å; S819-R823 PolarHBondContact O-N 2.71Å; S819-R823 VanDerWaalsContact O-N 3.16Å
820	E	91.2	Very high	92.5	Very high	17 Å²	17	33.6 Å²	33.6	8%	0.079	19%	0.191	C	C	.	.	H	α-helix	trans	-68.5	-44.1	175.8	-172.7	64.7	-178.4	0	0	111.7	Y793 L817 S822 R823 L824	Y793-E820 WeakPolarHBondContact CE2-OE1 3.01Å; Y793-E820 PolarHBondContact OH-OE1 3.5Å; L817-E820 HydrophobicContact CB-CB 4.31Å; L817-E820 HydrophobicContact CD2-CB 4.49Å; L817-E820 PolarHBondContact O-N 2.88Å; E820-S822 VanDerWaalsContact C-N 3.31Å; E820-S822 PolarHBondContact O-N 2.98Å; E820-R823 PolarHBondContact O-N 2.78Å; E820-R823 IonicContact OE2-NH1 2.71Å; E820-R823 PolarHBondContact OE2-NH1 2.83Å; E820-R823 VanDerWaalsContact OE2-NH1 3.15Å; E820-L824 HydrophobicContact CG-CD1 4.15Å; E820-L824 PolarHBondContact O-N 2.64Å
821	A	91.6	Very high	92.5	Very high	18 Å²	18	27.7 Å²	27.7	15%	0.149	17%	0.166	C	C	.	.	H	α-helix	trans	-57.3	-45.1	174.6	0	0	0	0	0	111.6	F812 A815 L817 A818 R823 L824 R825	F812-A821 HydrophobicContact CD2-CB 4.07Å; F812-A821 VanDerWaalsContact CD2-O 3.28Å; F812-A821 WeakPolarHBondContact CD2-O 3.27Å; F812-A821 HydrophobicContact CE2-CB 4.05Å; A815-A821 HydrophobicContact CB-CB 3.92Å; L817-A821 PolarHBondContact O-N 2.93Å; L817-A821 VanDerWaalsContact O-N 3.09Å; A818-A821 PolarHBondContact O-N 3.3Å; A821-R823 PolarHBondContact O-N 3.49Å; A821-L824 PolarHBondContact O-N 3.15Å; A821-R825 VanDerWaalsContact O-CB 3.23Å; A821-R825 WeakPolarHBondContact O-CB 3.25Å; A821-R825 PolarHBondContact O-N 3.35Å
822	S	91.3	Very high	92.5	Very high	49 Å²	49	32.4 Å²	32.4	34%	0.343	19%	0.186	S	C	.	.	H	α-helix	trans	-60	-43.1	177.7	-177.4	0	0	0	0	112.7	A818 S819 E820 R825 S826	A818-S822 WeakPolarHBondContact O-CB 3.27Å; A818-S822 PolarHBondContact O-N 3.12Å; S819-S822 PolarHBondContact O-N 2.78Å; E820-S822 VanDerWaalsContact C-N 3.31Å; E820-S822 PolarHBondContact O-N 2.98Å; S822-R825 PolarHBondContact O-N 3.07Å; S822-S826 PolarHBondContact O-N 3.48Å
823	R	93.1	Very high	92.7	Very high	23 Å²	23	33 Å²	33	9%	0.087	19%	0.191	C	C	.	.	H	α-helix	trans	-64.2	-47.6	177.4	-69.2	165.8	-178.6	175.1	-10	112.2	L368 S370 N373 S786 A790 Y793 S819 E820 A821 R825 S826 A827	L368-R823 PolarHBondContact O-NH1 3.43Å; S370-R823 PolarHBondContact OG-NH2 3.15Å; N373-R823 PolarHBondContact OD1-NH2 3.03Å; S786-R823 PolarHBondContact O-NH2 2.93Å; A790-R823 HydrophobicContact CB-CG 4.25Å; Y793-R823 HydrophobicContact CD2-CB 4.5Å; S819-R823 WeakPolarHBondContact O-CG 3.34Å; S819-R823 PolarHBondContact O-N 2.71Å; S819-R823 VanDerWaalsContact O-N 3.16Å; E820-R823 PolarHBondContact O-N 2.78Å; E820-R823 IonicContact OE2-NH1 2.71Å; E820-R823 PolarHBondContact OE2-NH1 2.83Å; E820-R823 VanDerWaalsContact OE2-NH1 3.15Å; A821-R823 PolarHBondContact O-N 3.49Å; R823-R825 VanDerWaalsContact C-N 3.34Å; R823-S826 PolarHBondContact O-N 3.01Å; R823-A827 VanDerWaalsContact O-CB 3.31Å; R823-A827 WeakPolarHBondContact O-CB 3.39Å; R823-A827 PolarHBondContact O-N 3.48Å
824	L	97	Very high	93	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	19%	0.192	C	C	.	.	H	α-helix	trans	-62.2	-44.1	178.3	-72.4	163.5	0	0	0	110.9	W775 Y793 A808 M811 F812 E820 A821 S826 A827 L828	W775-L824 HydrophobicContact CH2-CD2 3.96Å; W775-L824 HydrophobicContact CZ3-CD2 4.32Å; Y793-L824 HydrophobicContact CD2-CD2 3.52Å; Y793-L824 HydrophobicContact CD2-CG 4.01Å; Y793-L824 HydrophobicContact CE2-CD2 3.59Å; Y793-L824 HydrophobicContact CE2-CG 3.86Å; Y793-L824 HydrophobicContact CG-CD2 4.18Å; A808-L824 HydrophobicContact CB-CD2 4.25Å; M811-L824 HydrophobicContact CB-CD1 3.86Å; M811-L824 HydrophobicContact CB-CD2 4.45Å; F812-L824 HydrophobicContact CB-CB 3.93Å; F812-L824 HydrophobicContact CB-CD1 4.4Å; F812-L824 HydrophobicContact CD2-CB 4.45Å; E820-L824 HydrophobicContact CG-CD1 4.15Å; E820-L824 PolarHBondContact O-N 2.64Å; A821-L824 PolarHBondContact O-N 3.15Å; L824-S826 VanDerWaalsContact C-N 3.3Å; L824-S826 PolarHBondContact O-N 3.4Å; L824-A827 PolarHBondContact O-N 3.17Å; L824-A827 VanDerWaalsContact O-N 3.16Å; L824-L828 WeakPolarHBondContact O-CD1 3.34Å; L824-L828 VanDerWaalsContact O-CG 3.24Å; L824-L828 WeakPolarHBondContact O-CG 3.42Å; L824-L828 PolarHBondContact O-N 3.12Å
825	R	97	Very high	93.4	Very high	13 Å²	13	33.2 Å²	33.2	5%	0.049	19%	0.188	C	C	.	.	H	α-helix	trans	-55	-45.2	175.2	-169.6	175.6	57.6	71.9	-9.2	112	F812 A821 S822 R823 Y840 I850 D854 S857 T858	F812-R825 HydrophobicContact CD2-CB 4.14Å; F812-R825 HydrophobicContact CE2-CB 3.84Å; F812-R825 HydrophobicContact CE2-CG 4.26Å; F812-R825 HydrophobicContact CZ-CB 4.4Å; F812-R825 HydrophobicContact CZ-CG 4.35Å; A821-R825 VanDerWaalsContact O-CB 3.23Å; A821-R825 WeakPolarHBondContact O-CB 3.25Å; A821-R825 PolarHBondContact O-N 3.35Å; S822-R825 PolarHBondContact O-N 3.07Å; R823-R825 VanDerWaalsContact C-N 3.34Å; R825-Y840 WeakPolarHBondContact CA-OH 3.46Å; R825-Y840 WeakPolarHBondContact CG-OH 3.25Å; R825-Y840 PolarHBondContact O-OH 3.42Å; R825-I850 HydrophobicContact CG-CD1 4.38Å; R825-D854 IonicContact CZ-OD1 3.37Å; R825-D854 IonicContact NE-OD1 2.82Å; R825-D854 PolarHBondContact NE-OD1 3.44Å; R825-D854 IonicContact NH2-OD1 2.78Å; R825-D854 PolarHBondContact NH2-OD1 2.82Å; R825-S857 PolarHBondContact NH1-OG 2.86Å; R825-S857 PolarHBondContact NH2-OG 3.34Å; R825-T858 WeakPolarHBondContact CD-OG1 3.36Å; R825-T858 PolarHBondContact NH1-OG1 3.32Å
826	S	96.7	Very high	93.9	Very high	53 Å²	53	31.7 Å²	31.7	37%	0.371	18%	0.175	S	C	.	.	H	α-helix	trans	-68.5	-44.2	176.1	-165.8	0	0	0	0	112.2	S822 R823 L824 L828 A829 S861	S822-S826 PolarHBondContact O-N 3.48Å; R823-S826 PolarHBondContact O-N 3.01Å; L824-S826 VanDerWaalsContact C-N 3.3Å; L824-S826 PolarHBondContact O-N 3.4Å; S826-L828 VanDerWaalsContact C-N 3.33Å; S826-L828 PolarHBondContact O-N 3.47Å; S826-A829 VanDerWaalsContact O-CB 3.31Å; S826-A829 WeakPolarHBondContact O-CB 3.27Å; S826-A829 PolarHBondContact O-N 2.76Å; S826-A829 VanDerWaalsContact O-N 3.1Å; S826-S861 PolarHBondContact OG-OG 3.06Å
827	A	97.8	Very high	94.8	Very high	3 Å²	3	29.2 Å²	29.2	3%	0.025	16%	0.158	C	C	.	.	H	α-helix	trans	-63.5	-34.3	-177.8	0	0	0	0	0	113.8	Y793 C794 I797 R823 L824 A829 C830	Y793-A827 VanDerWaalsContact CB-CB 3.41Å; C794-A827 HydrophobicContact CB-CB 4.21Å; I797-A827 HydrophobicContact CD1-CB 4.01Å; R823-A827 VanDerWaalsContact O-CB 3.31Å; R823-A827 WeakPolarHBondContact O-CB 3.39Å; R823-A827 PolarHBondContact O-N 3.48Å; L824-A827 PolarHBondContact O-N 3.17Å; L824-A827 VanDerWaalsContact O-N 3.16Å; A827-A829 PolarHBondContact O-N 2.84Å; A827-A829 VanDerWaalsContact O-N 3.15Å; A827-C830 VanDerWaalsContact O-CB 3.26Å; A827-C830 WeakPolarHBondContact O-CB 3.49Å; A827-C830 PolarHBondContact O-N 2.81Å
828	L	98.6	Very high	95.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-57.6	-26.1	174.5	-74.1	160.7	0	0	0	112.9	W805 A808 W809 F812 L824 S826 C830 Y840	W805-L828 HydrophobicContact CD2-CD2 3.6Å; W805-L828 VanDerWaalsContact CE2-CD2 3.45Å; W805-L828 HydrophobicContact CE3-CD2 4.11Å; W805-L828 HydrophobicContact CG-CD2 3.88Å; W805-L828 HydrophobicContact CH2-CD2 4.34Å; W805-L828 HydrophobicContact CZ2-CB 4.26Å; W805-L828 HydrophobicContact CZ2-CD2 3.86Å; W805-L828 HydrophobicContact CZ3-CD2 4.44Å; W805-L828 PolarHBondContact NE1-O 3.36Å; W805-L828 WeakPolarHBondContact O-CD2 3.29Å; A808-L828 HydrophobicContact CB-CD2 3.84Å; A808-L828 HydrophobicContact CB-CG 4.41Å; W809-L828 HydrophobicContact CB-CD2 4.2Å; W809-L828 HydrophobicContact CE3-CD1 3.71Å; W809-L828 HydrophobicContact CZ3-CD1 4.3Å; F812-L828 HydrophobicContact CB-CD1 4.39Å; L824-L828 WeakPolarHBondContact O-CD1 3.34Å; L824-L828 VanDerWaalsContact O-CG 3.24Å; L824-L828 WeakPolarHBondContact O-CG 3.42Å; L824-L828 PolarHBondContact O-N 3.12Å; S826-L828 VanDerWaalsContact C-N 3.33Å; S826-L828 PolarHBondContact O-N 3.47Å; L828-C830 VanDerWaalsContact C-N 3.26Å; L828-C830 PolarHBondContact O-N 3.35Å; L828-Y840 HydrophobicContact CB-CD1 4.23Å; L828-Y840 HydrophobicContact CB-CE1 3.61Å
829	A	98.2	Very high	96.2	Very high	2 Å²	2	34.1 Å²	34.1	2%	0.017	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-76.4	-10.4	176.2	0	0	0	0	0	113.5	S826 A827 T831 L837 Y840 I862 N865	S826-A829 VanDerWaalsContact O-CB 3.31Å; S826-A829 WeakPolarHBondContact O-CB 3.27Å; S826-A829 PolarHBondContact O-N 2.76Å; S826-A829 VanDerWaalsContact O-N 3.1Å; A827-A829 PolarHBondContact O-N 2.84Å; A827-A829 VanDerWaalsContact O-N 3.15Å; A829-T831 VanDerWaalsContact C-N 3.32Å; A829-T831 PolarHBondContact O-N 2.86Å; A829-L837 WeakPolarHBondContact O-CD2 3.41Å; A829-Y840 HydrophobicContact CB-CE1 4.35Å; A829-I862 HydrophobicContact CB-CG1 3.85Å; A829-N865 PolarHBondContact O-ND2 3.2Å
830	C	98	Very high	96.7	Very high	29 Å²	29	33.8 Å²	33.8	20%	0.196	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-82.4	-6.3	-177.9	-60.2	0	0	0	0	114.1	C794 G798 A827 L828	C794-C830 HydrophobicContact CB-CB 3.89Å; C794-C830 WeakPolarHBondContact CB-SG 3.27Å; C794-C830 WeakPolarHBondContact O-CB 3.44Å; C794-C830 WeakPolarHBondContact SG-CB 3.46Å; C794-C830 CovalentContact SG-SG 2.03Å; C794-C830 PolarHBondContact SG-SG 2.77Å; G798-C830 VanDerWaalsContact CA-O 3.25Å; G798-C830 WeakPolarHBondContact CA-O 3.14Å; A827-C830 VanDerWaalsContact O-CB 3.26Å; A827-C830 WeakPolarHBondContact O-CB 3.49Å; A827-C830 PolarHBondContact O-N 2.81Å; L828-C830 VanDerWaalsContact C-N 3.26Å; L828-C830 PolarHBondContact O-N 3.35Å
831	T	98.1	Very high	97.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.			trans	-59.1	142.7	177	-175.4	0	0	0	0	111.5	A829 T833 L836 L837 N865	A829-T831 VanDerWaalsContact C-N 3.32Å; A829-T831 PolarHBondContact O-N 2.86Å; T831-T833 VanDerWaalsContact C-N 3.28Å; T831-T833 PolarHBondContact OG1-N 3.09Å; T831-L836 HydrophobicContact CG2-CB 3.87Å; T831-L836 HydrophobicContact CG2-CD1 4.43Å; T831-L837 HydrophobicContact CG2-CD2 3.54Å; T831-L837 HydrophobicContact CG2-CG 3.78Å; T831-N865 PolarHBondContact O-ND2 2.93Å
832	K	96.4	Very high	97.3	Very high	127 Å²	127	36.9 Å²	36.9	55%	0.552	19%	0.186	S	C	*	.			trans	-89.3	5.1	175.7	-63.3	-177.8	-176.5	178.6	0	113.2	G798 P834 I867	G798-K832 WeakPolarHBondContact O-CD 3.36Å; G798-K832 WeakPolarHBondContact O-CE 3.25Å; K832-P834 WeakPolarHBondContact O-CD 3.49Å; K832-I867 HydrophobicContact CB-CD1 3.7Å; K832-I867 HydrophobicContact CG-CD1 4.08Å; K832-I867 WeakPolarHBondContact O-CD1 3.28Å
833	T	98.1	Very high	97.6	Very high	36 Å²	36	36.3 Å²	36.3	22%	0.221	18%	0.176	C	C	.	.			trans	-97	111.5	-174.1	-58	0	0	0	0	110.9	T831 W835 L836 L837	T831-T833 VanDerWaalsContact C-N 3.28Å; T831-T833 PolarHBondContact OG1-N 3.09Å; T833-W835 HydrophobicContact CG2-CD2 4.46Å; T833-W835 HydrophobicContact CG2-CG 4.02Å; T833-W835 PolarHBondContact O-N 2.66Å; T833-L836 HydrophobicContact CG2-CB 4.46Å; T833-L836 HydrophobicContact CG2-CD1 4.07Å; T833-L836 HydrophobicContact CG2-CG 4.01Å; T833-L836 PolarHBondContact O-N 2.89Å; T833-L836 VanDerWaalsContact O-N 3.17Å; T833-L837 PolarHBondContact O-N 2.91Å
834	P	98.1	Very high	97.6	Very high	65 Å²	65	35.2 Å²	35.2	42%	0.422	17%	0.172	S	C	.	.	H	α-helix	trans	-59.5	-37.5	-172.2	-27.4	35.5	0	0	0	115.1	K832 L836 L837 N838 I867 L871	K832-P834 WeakPolarHBondContact O-CD 3.49Å; P834-L836 VanDerWaalsContact C-N 3.31Å; P834-L836 PolarHBondContact O-N 3.33Å; P834-L837 PolarHBondContact O-N 3.09Å; P834-N838 PolarHBondContact O-N 3.04Å; P834-N838 PolarHBondContact O-ND2 3.17Å; P834-I867 HydrophobicContact CG-CG2 3.92Å; P834-L871 HydrophobicContact CB-CD1 4.24Å
835	W	98.2	Very high	97.3	Very high	140 Å²	140	36.5 Å²	36.5	53%	0.53	18%	0.179	S	C	.	.	H	α-helix	trans	-68.8	-30.1	-178.5	75.5	-99.1	0	0	0	112.6	A802 T833 R839	A802-W835 HydrophobicContact CB-CH2 4.4Å; A802-W835 HydrophobicContact CB-CZ2 4.02Å; T833-W835 HydrophobicContact CG2-CD2 4.46Å; T833-W835 HydrophobicContact CG2-CG 4.02Å; T833-W835 PolarHBondContact O-N 2.66Å; W835-R839 WeakPolarHBondContact O-CB 3.4Å; W835-R839 PolarHBondContact O-N 2.78Å
836	L	98.6	Very high	96.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68.8	-42.2	173.6	-71.1	176.1	0	0	0	111.2	A802 W805 T831 T833 P834 R839 Y840	A802-L836 HydrophobicContact CB-CD1 4.48Å; W805-L836 HydrophobicContact CB-CD1 3.89Å; W805-L836 HydrophobicContact CD2-CD2 4.15Å; W805-L836 HydrophobicContact CE3-CD2 4.31Å; W805-L836 HydrophobicContact CG-CD1 3.91Å; W805-L836 HydrophobicContact CG-CD2 4.3Å; T831-L836 HydrophobicContact CG2-CB 3.87Å; T831-L836 HydrophobicContact CG2-CD1 4.43Å; T833-L836 HydrophobicContact CG2-CB 4.46Å; T833-L836 HydrophobicContact CG2-CD1 4.07Å; T833-L836 HydrophobicContact CG2-CG 4.01Å; T833-L836 PolarHBondContact O-N 2.89Å; T833-L836 VanDerWaalsContact O-N 3.17Å; P834-L836 VanDerWaalsContact C-N 3.31Å; P834-L836 PolarHBondContact O-N 3.33Å; L836-R839 PolarHBondContact O-N 2.83Å; L836-Y840 WeakPolarHBondContact O-CB 3.24Å; L836-Y840 PolarHBondContact O-N 3.06Å
837	L	98.6	Very high	96.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-42.5	176.5	-64.3	174.4	0	0	0	112	A829 T831 T833 P834 Y840 L841 I862 I867 L871	A829-L837 WeakPolarHBondContact O-CD2 3.41Å; T831-L837 HydrophobicContact CG2-CD2 3.54Å; T831-L837 HydrophobicContact CG2-CG 3.78Å; T833-L837 PolarHBondContact O-N 2.91Å; P834-L837 PolarHBondContact O-N 3.09Å; L837-Y840 WeakPolarHBondContact O-CB 3.39Å; L837-Y840 PolarHBondContact O-N 2.87Å; L837-L841 WeakPolarHBondContact O-CG 3.37Å; L837-L841 PolarHBondContact O-N 3.49Å; L837-I862 HydrophobicContact CB-CG2 4.36Å; L837-I862 HydrophobicContact CD2-CG2 4.31Å; L837-I867 HydrophobicContact CD1-CB 4.42Å; L837-I867 HydrophobicContact CD1-CG2 4.14Å; L837-L871 HydrophobicContact CB-CD1 3.83Å; L837-L871 HydrophobicContact CD1-CD1 4.24Å
838	N	98.3	Very high	95.6	Very high	70 Å²	70	45.3 Å²	45.3	37%	0.374	23%	0.226	S	C	.	.	H	α-helix	trans	-63.7	-44.5	174.6	-80.3	-38.4	0	0	0	112.2	P834 Y840 L841 E842	P834-N838 PolarHBondContact O-N 3.04Å; P834-N838 PolarHBondContact O-ND2 3.17Å; N838-Y840 PolarHBondContact O-N 2.9Å; N838-L841 PolarHBondContact O-N 3.27Å; N838-E842 PolarHBondContact O-N 3.41Å; N838-E842 VanDerWaalsContact O-N 3.14Å
839	R	98.3	Very high	95.2	Very high	63 Å²	63	48.9 Å²	48.9	24%	0.238	24%	0.242	C	C	.	.	H	α-helix	trans	-56.8	-39.7	173.1	-176.7	176.1	72.3	171	2.8	111	D806 W835 L836 E842 Y843	D806-R839 IonicContact OD1-CZ 2.69Å; D806-R839 IonicContact OD1-NH1 3.74Å; D806-R839 IonicContact OD1-NH2 2.75Å; D806-R839 PolarHBondContact OD1-NH2 3.06Å; W835-R839 WeakPolarHBondContact O-CB 3.4Å; W835-R839 PolarHBondContact O-N 2.78Å; L836-R839 PolarHBondContact O-N 2.83Å; R839-E842 PolarHBondContact O-N 3.03Å; R839-Y843 WeakPolarHBondContact CD-OH 3.27Å; R839-Y843 HydrophobicContact CG-CE1 3.76Å; R839-Y843 HydrophobicContact CG-CE2 4.36Å; R839-Y843 VanDerWaalsContact O-CD1 3.26Å; R839-Y843 WeakPolarHBondContact O-CD1 3.47Å; R839-Y843 PolarHBondContact O-N 3.07Å
840	Y	98.4	Very high	94.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-70	-39	-179.8	-165.3	-159.7	0	0	0	112.9	W805 W809 R825 L828 A829 L836 L837 N838 E842 Y843 T844 I850 T858 I862	W805-Y840 HydrophobicContact CZ2-CD1 4.25Å; W805-Y840 HydrophobicContact CZ2-CD2 4.17Å; W805-Y840 AromaticContact CZ2-CG 3.88Å; W805-Y840 HydrophobicContact CZ2-CG 3.88Å; W809-Y840 HydrophobicContact CZ3-CD2 4.31Å; W809-Y840 AromaticContact CZ3-CE2 3.85Å; W809-Y840 HydrophobicContact CZ3-CE2 3.85Å; R825-Y840 WeakPolarHBondContact CA-OH 3.46Å; R825-Y840 WeakPolarHBondContact CG-OH 3.25Å; R825-Y840 PolarHBondContact O-OH 3.42Å; L828-Y840 HydrophobicContact CB-CD1 4.23Å; L828-Y840 HydrophobicContact CB-CE1 3.61Å; A829-Y840 HydrophobicContact CB-CE1 4.35Å; L836-Y840 WeakPolarHBondContact O-CB 3.24Å; L836-Y840 PolarHBondContact O-N 3.06Å; L837-Y840 WeakPolarHBondContact O-CB 3.39Å; L837-Y840 PolarHBondContact O-N 2.87Å; N838-Y840 PolarHBondContact O-N 2.9Å; Y840-E842 VanDerWaalsContact C-N 3.32Å; Y840-E842 PolarHBondContact O-N 3.47Å; Y840-Y843 HydrophobicContact CD2-CD2 4.19Å; Y840-Y843 WeakPolarHBondContact O-CB 3.47Å; Y840-Y843 PolarHBondContact O-N 3.04Å; Y840-Y843 VanDerWaalsContact O-N 3.14Å; Y840-T844 PolarHBondContact O-N 3.23Å; Y840-I850 HydrophobicContact CE2-CD1 3.96Å; Y840-T858 HydrophobicContact CD1-CG2 4.45Å; Y840-T858 HydrophobicContact CD2-CG2 4.44Å; Y840-T858 HydrophobicContact CE1-CG2 3.82Å; Y840-T858 HydrophobicContact CE2-CG2 3.8Å; Y840-T858 VanDerWaalsContact CZ-CG2 3.45Å; Y840-I862 HydrophobicContact CD1-CD1 3.62Å; Y840-I862 HydrophobicContact CD1-CG1 3.95Å; Y840-I862 HydrophobicContact CE1-CD1 4.29Å; Y840-I862 HydrophobicContact CE1-CG1 4.4Å; Y840-I862 HydrophobicContact CG-CD1 3.98Å
841	L	97.9	Very high	94.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57.7	-44.5	171.7	-74.8	165.1	0	0	0	111.3	L837 N838 Y843 T844 I859 I862 L871 A872 F875	L837-L841 WeakPolarHBondContact O-CG 3.37Å; L837-L841 PolarHBondContact O-N 3.49Å; N838-L841 PolarHBondContact O-N 3.27Å; L841-Y843 VanDerWaalsContact C-N 3.27Å; L841-Y843 PolarHBondContact O-N 3.21Å; L841-T844 WeakPolarHBondContact O-CB 3.41Å; L841-T844 PolarHBondContact O-N 2.89Å; L841-T844 PolarHBondContact O-OG1 2.63Å; L841-I859 HydrophobicContact CD2-CG1 4.23Å; L841-I859 HydrophobicContact CD2-CG2 4.29Å; L841-I862 HydrophobicContact CD1-CG2 4.31Å; L841-I862 HydrophobicContact CD2-CB 4.42Å; L841-I862 HydrophobicContact CD2-CD1 3.7Å; L841-I862 HydrophobicContact CD2-CG2 4.22Å; L841-I862 HydrophobicContact CG-CD1 3.77Å; L841-I862 HydrophobicContact CG-CG2 4.22Å; L841-L871 HydrophobicContact CD1-CB 4.02Å; L841-A872 HydrophobicContact CD2-CB 4.35Å; L841-F875 HydrophobicContact CB-CD1 4.3Å; L841-F875 HydrophobicContact CB-CD2 3.89Å; L841-F875 HydrophobicContact CB-CE1 4.38Å; L841-F875 HydrophobicContact CB-CE2 3.98Å; L841-F875 HydrophobicContact CB-CG 4.04Å; L841-F875 HydrophobicContact CB-CZ 4.21Å; L841-F875 HydrophobicContact CD1-CB 3.94Å; L841-F875 HydrophobicContact CD1-CG 4.21Å; L841-F875 HydrophobicContact CD2-CB 4.43Å; L841-F875 HydrophobicContact CD2-CD1 3.92Å; L841-F875 HydrophobicContact CD2-CE1 4.36Å; L841-F875 HydrophobicContact CD2-CG 4.17Å; L841-F875 HydrophobicContact CG-CG 4.37Å; L841-F875 VanDerWaalsContact O-CZ 3.3Å; L841-F875 WeakPolarHBondContact O-CZ 3.38Å
842	E	97.6	Very high	93.2	Very high	99 Å²	99	55.3 Å²	55.3	46%	0.463	26%	0.263	S	S	.	.	H	α-helix	trans	-62.5	-32.4	176.9	-67.9	-63.4	152.9	0	0	112.7	N838 R839 Y840 T844 L845	N838-E842 PolarHBondContact O-N 3.41Å; N838-E842 VanDerWaalsContact O-N 3.14Å; R839-E842 PolarHBondContact O-N 3.03Å; Y840-E842 VanDerWaalsContact C-N 3.32Å; Y840-E842 PolarHBondContact O-N 3.47Å; E842-T844 PolarHBondContact O-N 3.41Å; E842-L845 PolarHBondContact O-N 2.69Å; E842-L845 VanDerWaalsContact O-N 3.15Å
843	Y	97	Very high	92.4	Very high	37 Å²	37	50.3 Å²	50.3	15%	0.145	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-23.4	175	-65.9	-5.6	0	0	0	112.9	W805 W809 R839 Y840 L841 L845 D846 K849	W805-Y843 HydrophobicContact CH2-CD2 4.42Å; W805-Y843 AromaticContact CH2-CE2 3.96Å; W805-Y843 HydrophobicContact CH2-CE2 3.96Å; W805-Y843 HydrophobicContact CZ3-CE2 4.45Å; W809-Y843 HydrophobicContact CD2-CD2 4.49Å; W809-Y843 HydrophobicContact CD2-CE2 4.15Å; W809-Y843 AromaticContact CE2-CE2 3.75Å; W809-Y843 HydrophobicContact CE3-CD2 4.31Å; W809-Y843 HydrophobicContact CE3-CE2 4.37Å; W809-Y843 AromaticContact CH2-CD2 3.4Å; W809-Y843 HydrophobicContact CH2-CD2 3.4Å; W809-Y843 AromaticContact CH2-CE2 3.93Å; W809-Y843 HydrophobicContact CH2-CE2 3.93Å; W809-Y843 HydrophobicContact CH2-CG 4.29Å; W809-Y843 AromaticContact CZ2-CD2 3.56Å; W809-Y843 HydrophobicContact CZ2-CD2 3.56Å; W809-Y843 AromaticContact CZ2-CE2 3.64Å; W809-Y843 HydrophobicContact CZ2-CE2 3.64Å; W809-Y843 AromaticContact CZ3-CD2 3.8Å; W809-Y843 HydrophobicContact CZ3-CD2 3.8Å; W809-Y843 HydrophobicContact CZ3-CE2 4.28Å; R839-Y843 WeakPolarHBondContact CD-OH 3.27Å; R839-Y843 HydrophobicContact CG-CE1 3.76Å; R839-Y843 HydrophobicContact CG-CE2 4.36Å; R839-Y843 VanDerWaalsContact O-CD1 3.26Å; R839-Y843 WeakPolarHBondContact O-CD1 3.47Å; R839-Y843 PolarHBondContact O-N 3.07Å; Y840-Y843 HydrophobicContact CD2-CD2 4.19Å; Y840-Y843 WeakPolarHBondContact O-CB 3.47Å; Y840-Y843 PolarHBondContact O-N 3.04Å; Y840-Y843 VanDerWaalsContact O-N 3.14Å; L841-Y843 VanDerWaalsContact C-N 3.27Å; L841-Y843 PolarHBondContact O-N 3.21Å; Y843-L845 PolarHBondContact O-N 2.9Å; Y843-D846 PolarHBondContact O-N 2.97Å; Y843-D846 VanDerWaalsContact O-N 3.17Å; Y843-K849 HydrophobicContact CD1-CD 3.59Å; Y843-K849 HydrophobicContact CD2-CD 4.26Å; Y843-K849 HydrophobicContact CE1-CD 4.06Å; Y843-K849 HydrophobicContact CG-CD 3.71Å
844	T	93	Very high	91.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-14.5	176.9	72.9	0	0	0	0	113.5	Y840 L841 E842 V855 T858 I859 Y887	Y840-T844 PolarHBondContact O-N 3.23Å; L841-T844 WeakPolarHBondContact O-CB 3.41Å; L841-T844 PolarHBondContact O-N 2.89Å; L841-T844 PolarHBondContact O-OG1 2.63Å; E842-T844 PolarHBondContact O-N 3.41Å; T844-V855 VanDerWaalsContact O-CG2 3.29Å; T844-V855 WeakPolarHBondContact O-CG2 3.42Å; T844-T858 HydrophobicContact CG2-CG2 3.79Å; T844-I859 HydrophobicContact CG2-CG1 4.12Å; T844-Y887 PolarHBondContact O-OH 3.37Å
845	L	89.8	Confident	91.3	Very high	29 Å²	29	46.9 Å²	46.9	15%	0.152	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-10.6	174.8	-52.9	-178.8	0	0	0	112.7	E842 Y843 F875 K879 Y882	E842-L845 PolarHBondContact O-N 2.69Å; E842-L845 VanDerWaalsContact O-N 3.15Å; Y843-L845 PolarHBondContact O-N 2.9Å; L845-F875 HydrophobicContact CD1-CE2 4.09Å; L845-F875 HydrophobicContact CD1-CZ 3.85Å; L845-F875 HydrophobicContact CD2-CE1 4.32Å; L845-F875 HydrophobicContact CD2-CZ 3.75Å; L845-F875 HydrophobicContact CG-CE2 4.44Å; L845-F875 HydrophobicContact CG-CZ 3.75Å; L845-K879 HydrophobicContact CD1-CD 4.41Å; L845-Y882 HydrophobicContact CB-CE1 4.31Å; L845-Y882 HydrophobicContact CD2-CD1 3.83Å; L845-Y882 HydrophobicContact CD2-CE1 3.7Å; L845-Y882 PolarHBondContact O-OH 3.11Å
846	D	89.6	Confident	90.7	Very high	48 Å²	48	41.2 Å²	41.2	26%	0.257	20%	0.199	S	C	.	.			trans	-107.5	105.5	-178.6	-176.7	-7.3	0	0	0	110.6	Y843 N848 K849 I850	Y843-D846 PolarHBondContact O-N 2.97Å; Y843-D846 VanDerWaalsContact O-N 3.17Å; D846-N848 PolarHBondContact O-N 3.36Å; D846-N848 VanDerWaalsContact O-N 3.1Å; D846-N848 WeakPolarHBondContact OD1-CB 3.28Å; D846-N848 PolarHBondContact OD1-N 2.87Å; D846-N848 PolarHBondContact OD1-ND2 3.03Å; D846-K849 HydrophobicContact CB-CB 4.32Å; D846-K849 HydrophobicContact CB-CD 4.18Å; D846-K849 HydrophobicContact CB-CG 4.27Å; D846-K849 PolarHBondContact O-N 3.2Å; D846-K849 VanDerWaalsContact OD2-CE 3.3Å; D846-K849 WeakPolarHBondContact OD2-CE 3.36Å; D846-K849 IonicContact OD2-NZ 3.6Å; D846-I850 PolarHBondContact O-N 2.61Å; D846-I850 VanDerWaalsContact O-N 3.08Å
847	P	82.1	Confident	90.3	Very high	64 Å²	64	42.7 Å²	42.7	42%	0.416	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.9	-176.6	26.6	-34.4	0	0	0	113.8	K849 I850 K852	P847-K849 VanDerWaalsContact C-N 3.33Å; P847-I850 WeakPolarHBondContact CA-O 3.48Å; P847-K852 HydrophobicContact CB-CG 4.37Å
848	N	84.7	Confident	90.1	Very high	143 Å²	143	42.7 Å²	42.7	77%	0.765	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	-19.2	175.3	-56.8	-60.8	0	0	0	112.5	D846	D846-N848 PolarHBondContact O-N 3.36Å; D846-N848 VanDerWaalsContact O-N 3.1Å; D846-N848 WeakPolarHBondContact OD1-CB 3.28Å; D846-N848 PolarHBondContact OD1-N 2.87Å; D846-N848 PolarHBondContact OD1-ND2 3.03Å
849	K	90.5	Very high	89.9	Confident	75 Å²	75	39.4 Å²	39.4	33%	0.326	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-46.1	177.9	-68.3	-178.8	-174.8	167.8	0	111.6	W809 Q813 Y843 D846 P847	W809-K849 HydrophobicContact CH2-CB 4.13Å; W809-K849 HydrophobicContact CZ2-CB 4.23Å; W809-K849 HydrophobicContact CZ2-CD 4.5Å; W809-K849 HydrophobicContact CZ2-CG 4.37Å; Q813-K849 PolarHBondContact NE2-O 3.38Å; Y843-K849 HydrophobicContact CD1-CD 3.59Å; Y843-K849 HydrophobicContact CD2-CD 4.26Å; Y843-K849 HydrophobicContact CE1-CD 4.06Å; Y843-K849 HydrophobicContact CG-CD 3.71Å; D846-K849 HydrophobicContact CB-CB 4.32Å; D846-K849 HydrophobicContact CB-CD 4.18Å; D846-K849 HydrophobicContact CB-CG 4.27Å; D846-K849 PolarHBondContact O-N 3.2Å; D846-K849 VanDerWaalsContact OD2-CE 3.3Å; D846-K849 WeakPolarHBondContact OD2-CE 3.36Å; D846-K849 IonicContact OD2-NZ 3.6Å; P847-K849 VanDerWaalsContact C-N 3.33Å
850	I	89.6	Confident	89.7	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.19	C	C	.	.	S	Bend	trans	-128.3	119.9	177.9	-58.6	-65.4	0	0	0	108.1	W809 F812 R825 Y840 D846 P847 D854 V855	W809-I850 HydrophobicContact CH2-CD1 4.19Å; W809-I850 HydrophobicContact CZ3-CD1 4.17Å; F812-I850 HydrophobicContact CE1-CD1 3.72Å; F812-I850 HydrophobicContact CZ-CD1 3.84Å; R825-I850 HydrophobicContact CG-CD1 4.38Å; Y840-I850 HydrophobicContact CE2-CD1 3.96Å; D846-I850 PolarHBondContact O-N 2.61Å; D846-I850 VanDerWaalsContact O-N 3.08Å; P847-I850 WeakPolarHBondContact CA-O 3.48Å; I850-D854 HydrophobicContact CG2-CB 3.99Å; I850-V855 HydrophobicContact CG2-CG2 4.19Å
851	R	82.9	Confident	89.6	Confident	99 Å²	99	39.4 Å²	39.4	37%	0.374	20%	0.198	S	C	.	.			trans	-58.3	146.5	178.7	-62.3	-174.4	-172.7	177.4	5.6	110.4	P342 Q853 D854 V855	P342-R851 PolarHBondContact O-NH1 3.27Å; R851-Q853 HydrophobicContact CB-CG 4.2Å; R851-Q853 PolarHBondContact O-N 3.36Å; R851-Q853 VanDerWaalsContact O-N 3.16Å; R851-D854 PolarHBondContact O-N 3.21Å; R851-V855 PolarHBondContact O-N 2.88Å
852	K	79.7	Confident	89.6	Confident	66 Å²	66	39.4 Å²	39.4	29%	0.287	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-51.5	-43.3	-178.8	-66.2	-172.3	175.4	176.6	0	112.3	D184 P847 D854 V855 Y887 F892	D184-K852 IonicContact OD2-NZ 3.07Å; D184-K852 PolarHBondContact OD2-NZ 2.61Å; P847-K852 HydrophobicContact CB-CG 4.37Å; K852-D854 PolarHBondContact O-N 2.9Å; K852-D854 VanDerWaalsContact O-N 3.15Å; K852-V855 PolarHBondContact O-N 3.05Å; K852-Y887 HydrophobicContact CB-CD1 4.4Å; K852-Y887 HydrophobicContact CB-CE1 4.43Å; K852-Y887 HydrophobicContact CG-CD1 4.41Å; K852-Y887 HydrophobicContact CG-CE1 4.1Å; K852-F892 HydrophobicContact CB-CZ 4.18Å; K852-F892 VanDerWaalsContact O-CE1 3.28Å; K852-F892 WeakPolarHBondContact O-CE1 3.46Å; K852-F892 WeakPolarHBondContact O-CZ 3.39Å
853	Q	78.7	Confident	89.5	Confident	21 Å²	21	34.8 Å²	34.8	10%	0.098	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-62.8	-18.1	178.8	69	179.7	1.1	0	0	114.9	P342 D343 R851	P342-Q853 PolarHBondContact O-NE2 2.78Å; D343-Q853 VanDerWaalsContact CA-OE1 3.31Å; R851-Q853 HydrophobicContact CB-CG 4.2Å; R851-Q853 PolarHBondContact O-N 3.36Å; R851-Q853 VanDerWaalsContact O-N 3.16Å
854	D	85.5	Confident	89.4	Confident	28 Å²	28	35.6 Å²	35.6	15%	0.15	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-104.3	-7.6	-176	-73.9	-55	0	0	0	113.5	R825 I850 R851 K852 S857 T858	R825-D854 IonicContact CZ-OD1 3.37Å; R825-D854 IonicContact NE-OD1 2.82Å; R825-D854 PolarHBondContact NE-OD1 3.44Å; R825-D854 IonicContact NH2-OD1 2.78Å; R825-D854 PolarHBondContact NH2-OD1 2.82Å; I850-D854 HydrophobicContact CG2-CB 3.99Å; R851-D854 PolarHBondContact O-N 3.21Å; K852-D854 PolarHBondContact O-N 2.9Å; K852-D854 VanDerWaalsContact O-N 3.15Å; D854-S857 PolarHBondContact O-OG 2.79Å; D854-S857 VanDerWaalsContact O-OG 3.04Å; D854-T858 WeakPolarHBondContact O-CB 3.3Å; D854-T858 PolarHBondContact O-N 3.28Å; D854-T858 PolarHBondContact O-OG1 3.43Å
855	V	88	Confident	89.5	Confident	2 Å²	2	36.6 Å²	36.6	1%	0.012	19%	0.188	C	C	.	.	H	α-helix	trans	-57.8	-54.4	-176.3	167.3	0	0	0	0	111.8	T844 I850 R851 K852 S857 T858 I859 Y887	T844-V855 VanDerWaalsContact O-CG2 3.29Å; T844-V855 WeakPolarHBondContact O-CG2 3.42Å; I850-V855 HydrophobicContact CG2-CG2 4.19Å; R851-V855 PolarHBondContact O-N 2.88Å; K852-V855 PolarHBondContact O-N 3.05Å; V855-S857 PolarHBondContact O-N 3.23Å; V855-T858 PolarHBondContact O-N 3.35Å; V855-I859 HydrophobicContact CG1-CD1 3.97Å; V855-I859 WeakPolarHBondContact O-CG1 3.27Å; V855-I859 PolarHBondContact O-N 2.98Å; V855-Y887 HydrophobicContact CG1-CD2 4.38Å; V855-Y887 HydrophobicContact CG1-CE2 4.22Å; V855-Y887 HydrophobicContact CG2-CE1 4.07Å
856	T	86	Confident	89.7	Confident	21 Å²	21	38 Å²	38	13%	0.129	20%	0.198	C	C	.	.	H	α-helix	trans	-61.1	-48	-176.7	54.4	0	0	0	0	111.3	T858 I859 Q860	T856-T858 VanDerWaalsContact C-N 3.27Å; T856-T858 PolarHBondContact O-N 2.8Å; T856-I859 PolarHBondContact O-N 3.22Å; T856-Q860 VanDerWaalsContact O-CG 3.27Å; T856-Q860 WeakPolarHBondContact O-CG 3.47Å; T856-Q860 PolarHBondContact O-N 3.17Å
857	S	89.1	Confident	90.1	Very high	31 Å²	31	38.5 Å²	38.5	22%	0.217	20%	0.2	C	C	.	.	H	α-helix	trans	-63.5	-32.5	178.7	69.4	0	0	0	0	112.7	R825 D854 V855 Q860 S861	R825-S857 PolarHBondContact NH1-OG 2.86Å; R825-S857 PolarHBondContact NH2-OG 3.34Å; D854-S857 PolarHBondContact O-OG 2.79Å; D854-S857 VanDerWaalsContact O-OG 3.04Å; V855-S857 PolarHBondContact O-N 3.23Å; S857-Q860 PolarHBondContact O-N 3.05Å; S857-S861 PolarHBondContact O-N 3.08Å; S857-S861 PolarHBondContact O-OG 2.84Å
858	T	94.8	Very high	90.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-68.7	-46.3	175.8	-55.9	0	0	0	0	111.5	R825 Y840 T844 D854 V855 T856 Q860 S861 I862	R825-T858 WeakPolarHBondContact CD-OG1 3.36Å; R825-T858 PolarHBondContact NH1-OG1 3.32Å; Y840-T858 HydrophobicContact CD1-CG2 4.45Å; Y840-T858 HydrophobicContact CD2-CG2 4.44Å; Y840-T858 HydrophobicContact CE1-CG2 3.82Å; Y840-T858 HydrophobicContact CE2-CG2 3.8Å; Y840-T858 VanDerWaalsContact CZ-CG2 3.45Å; T844-T858 HydrophobicContact CG2-CG2 3.79Å; D854-T858 WeakPolarHBondContact O-CB 3.3Å; D854-T858 PolarHBondContact O-N 3.28Å; D854-T858 PolarHBondContact O-OG1 3.43Å; V855-T858 PolarHBondContact O-N 3.35Å; T856-T858 VanDerWaalsContact C-N 3.27Å; T856-T858 PolarHBondContact O-N 2.8Å; T858-Q860 VanDerWaalsContact C-N 3.28Å; T858-Q860 PolarHBondContact O-N 3.1Å; T858-S861 PolarHBondContact O-N 2.96Å; T858-I862 HydrophobicContact CG2-CD1 4.38Å; T858-I862 WeakPolarHBondContact O-CG1 3.41Å; T858-I862 PolarHBondContact O-N 3.32Å
859	I	95.2	Very high	91.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.7	-41.4	175.8	-62.8	168.6	0	0	0	110.4	L841 T844 V855 T856 I862 A863 A872 F875 V876 I883 L897 I901	L841-I859 HydrophobicContact CD2-CG1 4.23Å; L841-I859 HydrophobicContact CD2-CG2 4.29Å; T844-I859 HydrophobicContact CG2-CG1 4.12Å; V855-I859 HydrophobicContact CG1-CD1 3.97Å; V855-I859 WeakPolarHBondContact O-CG1 3.27Å; V855-I859 PolarHBondContact O-N 2.98Å; T856-I859 PolarHBondContact O-N 3.22Å; I859-I862 PolarHBondContact O-N 2.89Å; I859-A863 PolarHBondContact O-N 3.21Å; I859-A872 HydrophobicContact CG2-CB 4.32Å; I859-F875 HydrophobicContact CD1-CE1 4.25Å; I859-V876 HydrophobicContact CG2-CG2 3.81Å; I859-I883 HydrophobicContact CD1-CD1 4.49Å; I859-L897 HydrophobicContact CB-CD1 3.99Å; I859-L897 HydrophobicContact CD1-CD1 4.44Å; I859-L897 HydrophobicContact CG2-CD1 3.73Å; I859-I901 HydrophobicContact CG2-CG2 4.15Å
860	Q	94.1	Very high	91.5	Very high	40 Å²	40	28.2 Å²	28.2	19%	0.187	15%	0.148	C	C	.	.	H	α-helix	trans	-63.6	-41.7	175.5	-70.7	175.4	-51.6	0	0	112.6	T856 S857 T858 I862 A863 N864 N896 L897	T856-Q860 VanDerWaalsContact O-CG 3.27Å; T856-Q860 WeakPolarHBondContact O-CG 3.47Å; T856-Q860 PolarHBondContact O-N 3.17Å; S857-Q860 PolarHBondContact O-N 3.05Å; T858-Q860 VanDerWaalsContact C-N 3.28Å; T858-Q860 PolarHBondContact O-N 3.1Å; Q860-I862 VanDerWaalsContact C-N 3.28Å; Q860-I862 PolarHBondContact O-N 3Å; Q860-A863 PolarHBondContact O-N 3.18Å; Q860-N864 WeakPolarHBondContact O-CB 3.41Å; Q860-N864 PolarHBondContact O-N 2.96Å; Q860-N864 PolarHBondContact O-ND2 2.91Å; Q860-N864 VanDerWaalsContact O-ND2 3.13Å; Q860-N896 PolarHBondContact NE2-O 3.44Å; Q860-L897 HydrophobicContact CG-CD1 4.48Å
861	S	95.8	Very high	91.9	Very high	24 Å²	24	29.8 Å²	29.8	17%	0.168	16%	0.156	C	C	.	.	H	α-helix	trans	-60.1	-39.7	174.6	-71	0	0	0	0	111.7	S826 S857 T858 N864	S826-S861 PolarHBondContact OG-OG 3.06Å; S857-S861 PolarHBondContact O-N 3.08Å; S857-S861 PolarHBondContact O-OG 2.84Å; T858-S861 PolarHBondContact O-N 2.96Å; S861-N864 PolarHBondContact O-N 2.9Å
862	I	97.6	Very high	92.6	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.4	-43.2	174.7	-62.9	168.5	0	0	0	110.7	A829 L837 Y840 L841 T858 I859 Q860 N864 N865 G868 A872	A829-I862 HydrophobicContact CB-CG1 3.85Å; L837-I862 HydrophobicContact CB-CG2 4.36Å; L837-I862 HydrophobicContact CD2-CG2 4.31Å; Y840-I862 HydrophobicContact CD1-CD1 3.62Å; Y840-I862 HydrophobicContact CD1-CG1 3.95Å; Y840-I862 HydrophobicContact CE1-CD1 4.29Å; Y840-I862 HydrophobicContact CE1-CG1 4.4Å; Y840-I862 HydrophobicContact CG-CD1 3.98Å; L841-I862 HydrophobicContact CD1-CG2 4.31Å; L841-I862 HydrophobicContact CD2-CB 4.42Å; L841-I862 HydrophobicContact CD2-CD1 3.7Å; L841-I862 HydrophobicContact CD2-CG2 4.22Å; L841-I862 HydrophobicContact CG-CD1 3.77Å; L841-I862 HydrophobicContact CG-CG2 4.22Å; T858-I862 HydrophobicContact CG2-CD1 4.38Å; T858-I862 WeakPolarHBondContact O-CG1 3.41Å; T858-I862 PolarHBondContact O-N 3.32Å; I859-I862 PolarHBondContact O-N 2.89Å; Q860-I862 VanDerWaalsContact C-N 3.28Å; Q860-I862 PolarHBondContact O-N 3Å; I862-N864 PolarHBondContact O-N 3.41Å; I862-N865 WeakPolarHBondContact O-CB 3.41Å; I862-N865 PolarHBondContact O-N 2.88Å; I862-N865 VanDerWaalsContact O-N 3.1Å; I862-G868 CarbonylContact O-C 3.58Å; I862-G868 WeakPolarHBondContact O-CA 3.37Å; I862-A872 HydrophobicContact CG2-CB 4.26Å
863	A	96.3	Very high	93.5	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.008	13%	0.125	C	C	.	.	H	α-helix	trans	-66.7	-25.9	177.1	0	0	0	0	0	113.5	I859 Q860 N865 M869 A872 I901 R904	I859-A863 PolarHBondContact O-N 3.21Å; Q860-A863 PolarHBondContact O-N 3.18Å; A863-N865 PolarHBondContact O-N 2.74Å; A863-M869 WeakPolarHBondContact O-CB 3.28Å; A863-A872 HydrophobicContact CB-CB 3.77Å; A863-I901 HydrophobicContact CB-CB 4.26Å; A863-I901 HydrophobicContact CB-CG2 3.88Å; A863-R904 PolarHBondContact O-NH1 2.83Å
864	N	93.8	Very high	94.3	Very high	55 Å²	55	24.9 Å²	24.9	29%	0.294	14%	0.141	S	C	.	.	H	α-helix	trans	-70.4	-17.9	173.7	-82.4	-45.4	0	0	0	112.9	Q860 S861 I862 R904	Q860-N864 WeakPolarHBondContact O-CB 3.41Å; Q860-N864 PolarHBondContact O-N 2.96Å; Q860-N864 PolarHBondContact O-ND2 2.91Å; Q860-N864 VanDerWaalsContact O-ND2 3.13Å; S861-N864 PolarHBondContact O-N 2.9Å; I862-N864 PolarHBondContact O-N 3.41Å; N864-R904 VanDerWaalsContact O-CZ 3.25Å; N864-R904 PolarHBondContact O-NH1 3.29Å; N864-R904 PolarHBondContact O-NH2 3.36Å
865	N	95.2	Very high	94.9	Very high	20 Å²	20	24.4 Å²	24.4	11%	0.107	14%	0.137	C	C	.	.	S	Bend	trans	-79.6	131.4	170.1	-176.4	-30.4	0	0	0	110.1	A829 T831 I862 A863 I867 G868 M869	A829-N865 PolarHBondContact O-ND2 3.2Å; T831-N865 PolarHBondContact O-ND2 2.93Å; I862-N865 WeakPolarHBondContact O-CB 3.41Å; I862-N865 PolarHBondContact O-N 2.88Å; I862-N865 VanDerWaalsContact O-N 3.1Å; A863-N865 PolarHBondContact O-N 2.74Å; N865-I867 PolarHBondContact O-N 2.99Å; N865-I867 PolarHBondContact OD1-N 3.44Å; N865-G868 CarbonylContact O-C 3.53Å; N865-G868 PolarHBondContact O-N 2.86Å; N865-M869 PolarHBondContact O-N 2.81Å
866	V	95.2	Very high	95.2	Very high	58 Å²	58	24.3 Å²	24.3	35%	0.352	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-33.2	-179.9	68.5	0	0	0	0	112.9	R707	R707-V866 HydrophobicContact CG-CG2 3.6Å
867	I	96.6	Very high	95.6	Very high	59 Å²	59	26.3 Å²	26.3	30%	0.303	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-34.1	175.4	-62.4	171.8	0	0	0	110.8	K832 P834 L837 N865 P870	K832-I867 HydrophobicContact CB-CD1 3.7Å; K832-I867 HydrophobicContact CG-CD1 4.08Å; K832-I867 WeakPolarHBondContact O-CD1 3.28Å; P834-I867 HydrophobicContact CG-CG2 3.92Å; L837-I867 HydrophobicContact CD1-CB 4.42Å; L837-I867 HydrophobicContact CD1-CG2 4.14Å; N865-I867 PolarHBondContact O-N 2.99Å; N865-I867 PolarHBondContact OD1-N 3.44Å; I867-P870 WeakPolarHBondContact O-CD 3.08Å
868	G	96.7	Very high	95.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-79	-25.8	-177.8	0	0	0	0	0	114.5	I862 N865 L871 A872	I862-G868 CarbonylContact O-C 3.58Å; I862-G868 WeakPolarHBondContact O-CA 3.37Å; N865-G868 CarbonylContact O-C 3.53Å; N865-G868 PolarHBondContact O-N 2.86Å; G868-L871 WeakPolarHBondContact O-CB 3.34Å; G868-L871 PolarHBondContact O-N 2.92Å; G868-A872 PolarHBondContact O-N 3.12Å
869	M	95.4	Very high	95.9	Very high	11 Å²	11	32.5 Å²	32.5	5%	0.054	18%	0.18	C	C	.	.	H	α-helix	trans	-49	-57.3	179.8	-176.7	-78.7	-73	0	0	113.6	A863 N865 L871 A872 W873 F905	A863-M869 WeakPolarHBondContact O-CB 3.28Å; N865-M869 PolarHBondContact O-N 2.81Å; M869-L871 PolarHBondContact O-N 3.14Å; M869-A872 PolarHBondContact O-N 3.38Å; M869-W873 WeakPolarHBondContact O-CB 3.44Å; M869-W873 PolarHBondContact O-N 2.72Å; M869-F905 HydrophobicContact SD-CE1 3.87Å
870	P	96.3	Very high	95.7	Very high	56 Å²	56	32.6 Å²	32.6	36%	0.364	18%	0.18	S	C	.	.	H	α-helix	trans	-64.8	-30.3	-179.8	25.3	-35	0	0	0	112.5	I867 N874	I867-P870 WeakPolarHBondContact O-CD 3.08Å; P870-N874 WeakPolarHBondContact O-CB 3.19Å; P870-N874 PolarHBondContact O-N 2.73Å; P870-N874 VanDerWaalsContact O-N 3.11Å; P870-N874 PolarHBondContact O-ND2 3.08Å; P870-N874 VanDerWaalsContact O-ND2 3.16Å
871	L	98.2	Very high	95.5	Very high	33 Å²	33	33.1 Å²	33.1	17%	0.173	19%	0.188	C	C	.	.	H	α-helix	trans	-68.5	-48.5	177.9	-55	179.9	0	0	0	111.1	P834 L837 L841 G868 M869 N874 F875	P834-L871 HydrophobicContact CB-CD1 4.24Å; L837-L871 HydrophobicContact CB-CD1 3.83Å; L837-L871 HydrophobicContact CD1-CD1 4.24Å; L841-L871 HydrophobicContact CD1-CB 4.02Å; G868-L871 WeakPolarHBondContact O-CB 3.34Å; G868-L871 PolarHBondContact O-N 2.92Å; M869-L871 PolarHBondContact O-N 3.14Å; L871-N874 PolarHBondContact O-N 2.8Å; L871-F875 VanDerWaalsContact O-CB 3.28Å; L871-F875 WeakPolarHBondContact O-CB 3.44Å; L871-F875 PolarHBondContact O-N 2.69Å
872	A	97.3	Very high	95.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64	-42.9	178.5	0	0	0	0	0	111.7	L841 I859 I862 A863 G868 M869 F875 V876	L841-A872 HydrophobicContact CD2-CB 4.35Å; I859-A872 HydrophobicContact CG2-CB 4.32Å; I862-A872 HydrophobicContact CG2-CB 4.26Å; A863-A872 HydrophobicContact CB-CB 3.77Å; G868-A872 PolarHBondContact O-N 3.12Å; M869-A872 PolarHBondContact O-N 3.38Å; A872-F875 PolarHBondContact O-N 2.99Å; A872-V876 WeakPolarHBondContact O-CG2 3.41Å; A872-V876 PolarHBondContact O-N 2.82Å
873	W	97.1	Very high	94.6	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.015	20%	0.199	C	C	.	.	H	α-helix	trans	-58.9	-49	175.7	174.8	-128.5	0	0	0	111.9	M869 F875 V876 R877 I901 T902 F905 E913 L914 F917	M869-W873 WeakPolarHBondContact O-CB 3.44Å; M869-W873 PolarHBondContact O-N 2.72Å; W873-F875 PolarHBondContact O-N 2.92Å; W873-V876 PolarHBondContact O-N 2.92Å; W873-R877 HydrophobicContact CD2-CG 4.12Å; W873-R877 HydrophobicContact CE3-CG 4.19Å; W873-R877 HydrophobicContact CH2-CG 4.04Å; W873-R877 HydrophobicContact CZ2-CG 4Å; W873-R877 HydrophobicContact CZ3-CG 4.15Å; W873-R877 WeakPolarHBondContact O-CG 3.49Å; W873-R877 PolarHBondContact O-N 3.24Å; W873-I901 HydrophobicContact CE3-CD1 3.84Å; W873-I901 HydrophobicContact CE3-CG1 4.17Å; W873-I901 HydrophobicContact CZ3-CD1 4.03Å; W873-I901 HydrophobicContact CZ3-CG1 4.45Å; W873-T902 HydrophobicContact CZ3-CG2 4.34Å; W873-F905 HydrophobicContact CD2-CE2 4.34Å; W873-F905 AromaticContact CD2-CZ 3.75Å; W873-F905 HydrophobicContact CD2-CZ 3.75Å; W873-F905 AromaticContact CE2-CZ 3.83Å; W873-F905 HydrophobicContact CE3-CZ 4.17Å; W873-F905 AromaticContact CG-CZ 3.94Å; W873-F905 HydrophobicContact CG-CZ 3.94Å; W873-F905 HydrophobicContact CH2-CE2 4.42Å; W873-F905 HydrophobicContact CZ2-CE2 4.17Å; W873-F905 HydrophobicContact CZ2-CZ 4.34Å; W873-F905 AromaticContact NE1-CZ 3.99Å; W873-E913 HydrophobicContact CZ2-CB 4.21Å; W873-E913 PolarHBondContact NE1-OE2 2.99Å; W873-L914 HydrophobicContact CH2-CD1 3.75Å; W873-L914 HydrophobicContact CZ3-CD1 4.32Å; W873-F917 HydrophobicContact CH2-CB 3.79Å; W873-F917 AromaticContact CH2-CD1 3.86Å; W873-F917 HydrophobicContact CH2-CD1 3.86Å; W873-F917 AromaticContact CH2-CG 3.81Å; W873-F917 HydrophobicContact CH2-CG 3.81Å; W873-F917 HydrophobicContact CZ2-CB 4.18Å; W873-F917 HydrophobicContact CZ3-CD1 4.28Å; W873-F917 HydrophobicContact CZ3-CG 4.45Å
874	N	97	Very high	94	Very high	80 Å²	80	38.5 Å²	38.5	43%	0.428	21%	0.207	S	C	.	.	H	α-helix	trans	-63.2	-41.7	177.8	-71.7	-20.2	0	0	0	112.3	P870 L871 R877 A878	P870-N874 WeakPolarHBondContact O-CB 3.19Å; P870-N874 PolarHBondContact O-N 2.73Å; P870-N874 VanDerWaalsContact O-N 3.11Å; P870-N874 PolarHBondContact O-ND2 3.08Å; P870-N874 VanDerWaalsContact O-ND2 3.16Å; L871-N874 PolarHBondContact O-N 2.8Å; N874-R877 PolarHBondContact OD1-NH2 2.97Å; N874-A878 WeakPolarHBondContact O-CB 3.2Å; N874-A878 PolarHBondContact O-N 3.44Å
875	F	97.2	Very high	93.3	Very high	17 Å²	17	40.5 Å²	40.5	8%	0.075	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-48.4	177.8	178.4	-94.9	0	0	0	112.2	L841 L845 I859 L871 A872 W873 R877 A878 K879 I883	L841-F875 HydrophobicContact CB-CD1 4.3Å; L841-F875 HydrophobicContact CB-CD2 3.89Å; L841-F875 HydrophobicContact CB-CE1 4.38Å; L841-F875 HydrophobicContact CB-CE2 3.98Å; L841-F875 HydrophobicContact CB-CG 4.04Å; L841-F875 HydrophobicContact CB-CZ 4.21Å; L841-F875 HydrophobicContact CD1-CB 3.94Å; L841-F875 HydrophobicContact CD1-CG 4.21Å; L841-F875 HydrophobicContact CD2-CB 4.43Å; L841-F875 HydrophobicContact CD2-CD1 3.92Å; L841-F875 HydrophobicContact CD2-CE1 4.36Å; L841-F875 HydrophobicContact CD2-CG 4.17Å; L841-F875 HydrophobicContact CG-CG 4.37Å; L841-F875 VanDerWaalsContact O-CZ 3.3Å; L841-F875 WeakPolarHBondContact O-CZ 3.38Å; L845-F875 HydrophobicContact CD1-CE2 4.09Å; L845-F875 HydrophobicContact CD1-CZ 3.85Å; L845-F875 HydrophobicContact CD2-CE1 4.32Å; L845-F875 HydrophobicContact CD2-CZ 3.75Å; L845-F875 HydrophobicContact CG-CE2 4.44Å; L845-F875 HydrophobicContact CG-CZ 3.75Å; I859-F875 HydrophobicContact CD1-CE1 4.25Å; L871-F875 VanDerWaalsContact O-CB 3.28Å; L871-F875 WeakPolarHBondContact O-CB 3.44Å; L871-F875 PolarHBondContact O-N 2.69Å; A872-F875 PolarHBondContact O-N 2.99Å; W873-F875 PolarHBondContact O-N 2.92Å; F875-R877 PolarHBondContact O-N 3.39Å; F875-A878 PolarHBondContact O-N 3.01Å; F875-K879 HydrophobicContact CD2-CG 4.26Å; F875-K879 HydrophobicContact CE2-CG 4.07Å; F875-K879 HydrophobicContact CZ-CG 4.26Å; F875-K879 WeakPolarHBondContact O-CB 3.45Å; F875-K879 WeakPolarHBondContact O-CG 3.18Å; F875-K879 PolarHBondContact O-N 3.01Å; F875-I883 HydrophobicContact CE1-CD1 4.3Å
876	V	94.8	Very high	92.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-44.5	179	172.4	0	0	0	0	111	I859 A872 W873 A878 K879 W880 I883 L897 I901	I859-V876 HydrophobicContact CG2-CG2 3.81Å; A872-V876 WeakPolarHBondContact O-CG2 3.41Å; A872-V876 PolarHBondContact O-N 2.82Å; W873-V876 PolarHBondContact O-N 2.92Å; V876-A878 VanDerWaalsContact C-N 3.35Å; V876-A878 PolarHBondContact O-N 3.19Å; V876-K879 PolarHBondContact O-N 2.82Å; V876-W880 HydrophobicContact CG1-CE3 3.88Å; V876-W880 HydrophobicContact CG1-CZ3 4.24Å; V876-W880 WeakPolarHBondContact O-CA 3.34Å; V876-W880 WeakPolarHBondContact O-CB 3.19Å; V876-W880 PolarHBondContact O-N 2.91Å; V876-I883 HydrophobicContact CG2-CD1 4.47Å; V876-L897 HydrophobicContact CG2-CD1 4.39Å; V876-I901 HydrophobicContact CB-CD1 3.89Å; V876-I901 HydrophobicContact CG1-CD1 3.68Å; V876-I901 HydrophobicContact CG2-CD1 4.01Å; V876-I901 HydrophobicContact CG2-CG2 4.45Å
877	R	94.9	Very high	91.2	Very high	64 Å²	64	41.6 Å²	41.6	24%	0.242	22%	0.215	C	C	.	.	H	α-helix	trans	-57.7	-47.4	175.3	-72.3	-164.6	-68.7	-173.3	-3.9	111.9	W873 N874 F875 K879 E913 F917	W873-R877 HydrophobicContact CD2-CG 4.12Å; W873-R877 HydrophobicContact CE3-CG 4.19Å; W873-R877 HydrophobicContact CH2-CG 4.04Å; W873-R877 HydrophobicContact CZ2-CG 4Å; W873-R877 HydrophobicContact CZ3-CG 4.15Å; W873-R877 WeakPolarHBondContact O-CG 3.49Å; W873-R877 PolarHBondContact O-N 3.24Å; N874-R877 PolarHBondContact OD1-NH2 2.97Å; F875-R877 PolarHBondContact O-N 3.39Å; R877-K879 VanDerWaalsContact C-N 3.32Å; R877-K879 PolarHBondContact O-N 3.32Å; R877-E913 IonicContact CZ-OE1 3.89Å; R877-E913 VanDerWaalsContact CZ-OE1 3.22Å; R877-E913 IonicContact NH1-OE1 2.78Å; R877-E913 PolarHBondContact NH1-OE1 3.32Å; R877-E913 IonicContact NH2-OE1 2.98Å; R877-E913 PolarHBondContact NH2-OE1 3.49Å; R877-E913 IonicContact NH2-OE2 3.97Å; R877-F917 HydrophobicContact CB-CD2 4.32Å; R877-F917 HydrophobicContact CG-CD2 3.66Å; R877-F917 HydrophobicContact CG-CE2 4.14Å; R877-F917 HydrophobicContact CG-CG 4.25Å
878	A	95.4	Very high	89.2	Confident	81 Å²	81	39.7 Å²	39.7	67%	0.669	21%	0.21	S	C	*	.	H	α-helix	trans	-69.5	-28.1	-177.5	0	0	0	0	0	113.6	N874 F875 V876	N874-A878 WeakPolarHBondContact O-CB 3.2Å; N874-A878 PolarHBondContact O-N 3.44Å; F875-A878 PolarHBondContact O-N 3.01Å; V876-A878 VanDerWaalsContact C-N 3.35Å; V876-A878 PolarHBondContact O-N 3.19Å
879	K	94.2	Very high	87.1	Confident	79 Å²	79	49 Å²	49	34%	0.343	25%	0.245	S	C	.	.	H	α-helix	trans	-110.9	8.4	-174.9	-58.6	-64.8	-174.4	172.6	0	113.6	L845 F875 V876 R877 S881 Y882 I883	L845-K879 HydrophobicContact CD1-CD 4.41Å; F875-K879 HydrophobicContact CD2-CG 4.26Å; F875-K879 HydrophobicContact CE2-CG 4.07Å; F875-K879 HydrophobicContact CZ-CG 4.26Å; F875-K879 WeakPolarHBondContact O-CB 3.45Å; F875-K879 WeakPolarHBondContact O-CG 3.18Å; F875-K879 PolarHBondContact O-N 3.01Å; V876-K879 PolarHBondContact O-N 2.82Å; R877-K879 VanDerWaalsContact C-N 3.32Å; R877-K879 PolarHBondContact O-N 3.32Å; K879-S881 VanDerWaalsContact C-N 3.35Å; K879-S881 PolarHBondContact O-N 3.01Å; K879-Y882 PolarHBondContact O-N 3.21Å; K879-I883 HydrophobicContact CB-CD1 3.95Å; K879-I883 HydrophobicContact CB-CG1 4.13Å; K879-I883 WeakPolarHBondContact O-CG1 3.27Å; K879-I883 PolarHBondContact O-N 3.46Å
880	W	91.6	Very high	85.1	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-51.5	-49.7	-171.2	-179.3	-110.2	0	0	0	113.2	V876 Y882 I883 F884 F894 L897 I898 F917 G925 F926	V876-W880 HydrophobicContact CG1-CE3 3.88Å; V876-W880 HydrophobicContact CG1-CZ3 4.24Å; V876-W880 WeakPolarHBondContact O-CA 3.34Å; V876-W880 WeakPolarHBondContact O-CB 3.19Å; V876-W880 PolarHBondContact O-N 2.91Å; W880-Y882 VanDerWaalsContact C-N 3.33Å; W880-Y882 PolarHBondContact O-N 2.9Å; W880-I883 PolarHBondContact O-N 3.12Å; W880-F884 HydrophobicContact CZ2-CD2 4.17Å; W880-F884 VanDerWaalsContact O-CB 3.22Å; W880-F884 WeakPolarHBondContact O-CB 3.25Å; W880-F884 PolarHBondContact O-N 3.34Å; W880-F894 AromaticContact CH2-CD1 3.49Å; W880-F894 HydrophobicContact CH2-CD1 3.49Å; W880-F894 VanDerWaalsContact CH2-CD1 3.49Å; W880-F894 HydrophobicContact CH2-CE1 4.09Å; W880-F894 HydrophobicContact CZ2-CD1 4.33Å; W880-F894 AromaticContact CZ3-CD1 3.75Å; W880-F894 HydrophobicContact CZ3-CD1 3.75Å; W880-F894 HydrophobicContact CZ3-CE1 4.06Å; W880-L897 HydrophobicContact CZ3-CD2 4.46Å; W880-I898 HydrophobicContact CH2-CD1 4.07Å; W880-I898 HydrophobicContact CH2-CG1 4.36Å; W880-I898 HydrophobicContact CZ3-CD1 3.93Å; W880-F917 HydrophobicContact CB-CE2 4.17Å; W880-F917 HydrophobicContact CD2-CE2 4.29Å; W880-F917 AromaticContact CD2-CZ 3.79Å; W880-F917 HydrophobicContact CD2-CZ 3.79Å; W880-F917 AromaticContact CE3-CZ 3.87Å; W880-F917 HydrophobicContact CE3-CZ 3.87Å; W880-F917 HydrophobicContact CG-CE2 4.11Å; W880-F917 HydrophobicContact CG-CZ 4.08Å; W880-F917 HydrophobicContact CZ3-CZ 4.34Å; W880-G925 PolarHBondContact NE1-O 3.18Å; W880-G925 VanDerWaalsContact NE1-O 3.14Å; W880-F926 AromaticContact CE2-CD1 3.94Å; W880-F926 HydrophobicContact CH2-CD1 4.11Å; W880-F926 HydrophobicContact CZ2-CB 4.48Å; W880-F926 AromaticContact CZ2-CD1 3.41Å; W880-F926 HydrophobicContact CZ2-CD1 3.41Å; W880-F926 VanDerWaalsContact CZ2-CD1 3.41Å; W880-F926 AromaticContact CZ2-CE1 3.97Å; W880-F926 HydrophobicContact CZ2-CE1 3.97Å; W880-F926 HydrophobicContact CZ2-CG 4.29Å
881	S	89.8	Confident	82.8	Confident	51 Å²	51	49.5 Å²	49.5	36%	0.357	26%	0.257	S	S	.	.	H	α-helix	trans	-57.6	-43.3	-180	-169.3	0	0	0	0	112.7	K879 Q885	K879-S881 VanDerWaalsContact C-N 3.35Å; K879-S881 PolarHBondContact O-N 3.01Å; S881-Q885 WeakPolarHBondContact O-CB 3.31Å; S881-Q885 WeakPolarHBondContact O-CG 3.44Å; S881-Q885 PolarHBondContact O-N 3.38Å; S881-Q885 PolarHBondContact OG-NE2 3.31Å
882	Y	88.3	Confident	80.7	Confident	96 Å²	96	48.7 Å²	48.7	38%	0.376	25%	0.252	S	S	.	.	H	α-helix	trans	-66.3	-49.3	176.5	177.4	-91.4	0	0	0	111.3	L845 K879 W880 F884 Q885 Q886 Y887	L845-Y882 HydrophobicContact CB-CE1 4.31Å; L845-Y882 HydrophobicContact CD2-CD1 3.83Å; L845-Y882 HydrophobicContact CD2-CE1 3.7Å; L845-Y882 PolarHBondContact O-OH 3.11Å; K879-Y882 PolarHBondContact O-N 3.21Å; W880-Y882 VanDerWaalsContact C-N 3.33Å; W880-Y882 PolarHBondContact O-N 2.9Å; Y882-F884 VanDerWaalsContact C-N 3.31Å; Y882-F884 PolarHBondContact O-N 3.44Å; Y882-Q885 PolarHBondContact O-N 3.45Å; Y882-Q886 HydrophobicContact CD1-CG 4.31Å; Y882-Q886 HydrophobicContact CD2-CG 3.9Å; Y882-Q886 HydrophobicContact CE1-CB 4.39Å; Y882-Q886 HydrophobicContact CE1-CG 4.05Å; Y882-Q886 HydrophobicContact CE2-CG 3.62Å; Y882-Q886 HydrophobicContact CG-CG 4.25Å; Y882-Q886 WeakPolarHBondContact O-CB 3.42Å; Y882-Q886 WeakPolarHBondContact O-CG 3.47Å; Y882-Q886 PolarHBondContact O-N 3.33Å; Y882-Y887 HydrophobicContact CD1-CE2 4.31Å; Y882-Y887 AromaticContact CE1-CE2 3.94Å; Y882-Y887 HydrophobicContact CE1-CE2 3.94Å
883	I	86.3	Confident	79.1	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-59.5	-47.1	-178.3	-62.2	172.3	0	0	0	109.2	I859 F875 V876 K879 W880 Q885 Y887 G888 F894 L897	I859-I883 HydrophobicContact CD1-CD1 4.49Å; F875-I883 HydrophobicContact CE1-CD1 4.3Å; V876-I883 HydrophobicContact CG2-CD1 4.47Å; K879-I883 HydrophobicContact CB-CD1 3.95Å; K879-I883 HydrophobicContact CB-CG1 4.13Å; K879-I883 WeakPolarHBondContact O-CG1 3.27Å; K879-I883 PolarHBondContact O-N 3.46Å; W880-I883 PolarHBondContact O-N 3.12Å; I883-Q885 PolarHBondContact O-N 3.4Å; I883-Y887 HydrophobicContact CB-CD2 4.22Å; I883-Y887 HydrophobicContact CG2-CD2 3.85Å; I883-Y887 WeakPolarHBondContact O-CA 3.32Å; I883-Y887 WeakPolarHBondContact O-CB 3.46Å; I883-Y887 VanDerWaalsContact O-CD2 3.32Å; I883-Y887 WeakPolarHBondContact O-CD2 3.48Å; I883-Y887 PolarHBondContact O-N 3.22Å; I883-G888 PolarHBondContact O-N 3.02Å; I883-F894 HydrophobicContact CB-CE1 4.49Å; I883-F894 HydrophobicContact CG2-CE1 3.59Å; I883-F894 HydrophobicContact CG2-CZ 3.76Å; I883-F894 WeakPolarHBondContact O-CZ 3.38Å; I883-L897 HydrophobicContact CG2-CD2 4.22Å
884	F	83.1	Confident	78.1	Confident	41 Å²	41	50.7 Å²	50.7	18%	0.18	27%	0.266	C	S	.	.	H	α-helix	trans	-62.4	-41.3	178.8	-174.4	-103.7	0	0	0	112.9	W880 Y882 G888 F894 V924	W880-F884 HydrophobicContact CZ2-CD2 4.17Å; W880-F884 VanDerWaalsContact O-CB 3.22Å; W880-F884 WeakPolarHBondContact O-CB 3.25Å; W880-F884 PolarHBondContact O-N 3.34Å; Y882-F884 VanDerWaalsContact C-N 3.31Å; Y882-F884 PolarHBondContact O-N 3.44Å; F884-G888 CarbonylContact O-C 3.53Å; F884-G888 WeakPolarHBondContact O-CA 3.45Å; F884-G888 PolarHBondContact O-N 3.34Å; F884-F894 HydrophobicContact CB-CE1 4.5Å; F884-F894 HydrophobicContact CD2-CE1 4.45Å; F884-V924 HydrophobicContact CB-CG1 4.11Å; F884-V924 HydrophobicContact CD1-CG1 3.6Å; F884-V924 HydrophobicContact CE1-CG1 4.31Å; F884-V924 VanDerWaalsContact CE1-O 3.29Å; F884-V924 WeakPolarHBondContact CE1-O 3.45Å; F884-V924 HydrophobicContact CG-CG1 4.01Å
885	Q	80.1	Confident	77.1	Confident	97 Å²	97	48.3 Å²	48.3	45%	0.453	26%	0.256	S	S	.	.	H	α-helix	trans	-73.9	-40.2	-179.7	-72.7	174.6	13.6	0	0	113.3	S881 Y882 I883	S881-Q885 WeakPolarHBondContact O-CB 3.31Å; S881-Q885 WeakPolarHBondContact O-CG 3.44Å; S881-Q885 PolarHBondContact O-N 3.38Å; S881-Q885 PolarHBondContact OG-NE2 3.31Å; Y882-Q885 PolarHBondContact O-N 3.45Å; I883-Q885 PolarHBondContact O-N 3.4Å
886	Q	75.9	Confident	76.3	Confident	95 Å²	95	51.7 Å²	51.7	44%	0.444	28%	0.275	S	S	.	.	H	α-helix	trans	-85.4	-31.3	-174.3	-64.5	-56.1	-49.9	0	0	113.3	Y882	Y882-Q886 HydrophobicContact CD1-CG 4.31Å; Y882-Q886 HydrophobicContact CD2-CG 3.9Å; Y882-Q886 HydrophobicContact CE1-CB 4.39Å; Y882-Q886 HydrophobicContact CE1-CG 4.05Å; Y882-Q886 HydrophobicContact CE2-CG 3.62Å; Y882-Q886 HydrophobicContact CG-CG 4.25Å; Y882-Q886 WeakPolarHBondContact O-CB 3.42Å; Y882-Q886 WeakPolarHBondContact O-CG 3.47Å; Y882-Q886 PolarHBondContact O-N 3.33Å
887	Y	68.7	Low	75.9	Confident	6 Å²	6	51.7 Å²	51.7	2%	0.024	28%	0.275	C	S	.	.	H	α-helix	trans	-119.4	-18.2	-176.6	-43.8	-70.8	0	0	0	112.6	T844 K852 V855 Y882 I883 R889 F892 F894	T844-Y887 PolarHBondContact O-OH 3.37Å; K852-Y887 HydrophobicContact CB-CD1 4.4Å; K852-Y887 HydrophobicContact CB-CE1 4.43Å; K852-Y887 HydrophobicContact CG-CD1 4.41Å; K852-Y887 HydrophobicContact CG-CE1 4.1Å; V855-Y887 HydrophobicContact CG1-CD2 4.38Å; V855-Y887 HydrophobicContact CG1-CE2 4.22Å; V855-Y887 HydrophobicContact CG2-CE1 4.07Å; Y882-Y887 HydrophobicContact CD1-CE2 4.31Å; Y882-Y887 AromaticContact CE1-CE2 3.94Å; Y882-Y887 HydrophobicContact CE1-CE2 3.94Å; I883-Y887 HydrophobicContact CB-CD2 4.22Å; I883-Y887 HydrophobicContact CG2-CD2 3.85Å; I883-Y887 WeakPolarHBondContact O-CA 3.32Å; I883-Y887 WeakPolarHBondContact O-CB 3.46Å; I883-Y887 VanDerWaalsContact O-CD2 3.32Å; I883-Y887 WeakPolarHBondContact O-CD2 3.48Å; I883-Y887 PolarHBondContact O-N 3.22Å; Y887-R889 PolarHBondContact O-N 2.79Å; Y887-F892 WeakPolarHBondContact O-CB 3.49Å; Y887-F892 VanDerWaalsContact O-CD2 3.27Å; Y887-F892 WeakPolarHBondContact O-CD2 3.37Å; Y887-F892 WeakPolarHBondContact O-CG 3.45Å; Y887-F894 VanDerWaalsContact C-CE2 3.43Å; Y887-F894 WeakPolarHBondContact O-CE2 3.38Å
888	G	54.5	Low	75.6	Confident	20 Å²	20	48.7 Å²	48.7	21%	0.206	26%	0.263	C	S	.	.	S	Bend	trans	-87.8	5.5	-175.7	0	0	0	0	0	116	I883 F884 F894	I883-G888 PolarHBondContact O-N 3.02Å; F884-G888 CarbonylContact O-C 3.53Å; F884-G888 WeakPolarHBondContact O-CA 3.45Å; F884-G888 PolarHBondContact O-N 3.34Å; G888-F894 VanDerWaalsContact CA-CZ 3.5Å; G888-F894 VanDerWaalsContact N-CE2 3.29Å
889	R	54.1	Low	75.2	Confident	195 Å²	195	46.9 Å²	46.9	74%	0.736	25%	0.246	S	C	*	.	S	Bend	trans	-94.9	125.7	168.1	-64.5	-177.6	177.2	-174.3	0.6	108.5	Y887	Y887-R889 PolarHBondContact O-N 2.79Å
890	G	51.7	Low	74.9	Confident	34 Å²	34	43.7 Å²	43.7	35%	0.351	24%	0.236	S	C	.	.	S	Bend	trans	99.3	-154.9	177.3	0	0	0	0	0	114	E187 F892	E187-G890 WeakPolarHBondContact OE1-CA 3.26Å; G890-F892 PolarHBondContact O-N 2.92Å; G890-F892 VanDerWaalsContact O-N 3.11Å
891	S	48.2	Very low	75	Confident	44 Å²	44	43.7 Å²	43.7	31%	0.308	24%	0.235	S	C	.	.	S	Bend	trans	-74.8	4.7	-170.7	53.2	0	0	0	0	115.4	E187 N345 S893	E187-S891 PolarHBondContact OE1-N 2.94Å; N345-S891 WeakPolarHBondContact ND2-CB 3.28Å; N345-S891 PolarHBondContact ND2-O 2.91Å; N345-S891 PolarHBondContact ND2-OG 3.4Å; S891-S893 PolarHBondContact O-N 3.04Å
892	F	55.8	Low	75.2	Confident	15 Å²	15	41.5 Å²	41.5	7%	0.066	22%	0.22	C	C	.	.			trans	-65	120	178	-87.3	-88	0	0	0	112.1	L186 K852 Y887 G890 F894 S928	L186-F892 HydrophobicContact CD1-CE2 4.16Å; L186-F892 HydrophobicContact CD1-CZ 4.43Å; K852-F892 HydrophobicContact CB-CZ 4.18Å; K852-F892 VanDerWaalsContact O-CE1 3.28Å; K852-F892 WeakPolarHBondContact O-CE1 3.46Å; K852-F892 WeakPolarHBondContact O-CZ 3.39Å; Y887-F892 WeakPolarHBondContact O-CB 3.49Å; Y887-F892 VanDerWaalsContact O-CD2 3.27Å; Y887-F892 WeakPolarHBondContact O-CD2 3.37Å; Y887-F892 WeakPolarHBondContact O-CG 3.45Å; G890-F892 PolarHBondContact O-N 2.92Å; G890-F892 VanDerWaalsContact O-N 3.11Å; F892-F894 HydrophobicContact CB-CD2 4.35Å; F892-F894 HydrophobicContact CB-CE2 4.19Å; F892-F894 PolarHBondContact O-N 3.36Å; F892-F894 VanDerWaalsContact O-N 3.11Å; F892-S928 PolarHBondContact O-OG 3.17Å
893	S	61.7	Low	75.4	Confident	45 Å²	45	38.6 Å²	38.6	32%	0.315	21%	0.211	S	C	.	.			trans	-79.8	93.5	176.9	179.4	0	0	0	0	111.5	S891 S895 N896	S891-S893 PolarHBondContact O-N 3.04Å; S893-S895 PolarHBondContact O-N 2.97Å; S893-N896 PolarHBondContact O-N 3.05Å; S893-N896 PolarHBondContact OG-N 2.99Å; S893-N896 PolarHBondContact OG-ND2 2.76Å
894	F	76.7	Confident	75.8	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.009	21%	0.214	C	C	.	.	H	α-helix	trans	-68.7	-21.9	168.9	-85.3	-110	0	0	0	112	W880 I883 F884 Y887 G888 F892 N896 L897 I898 S928 A929	W880-F894 AromaticContact CH2-CD1 3.49Å; W880-F894 HydrophobicContact CH2-CD1 3.49Å; W880-F894 VanDerWaalsContact CH2-CD1 3.49Å; W880-F894 HydrophobicContact CH2-CE1 4.09Å; W880-F894 HydrophobicContact CZ2-CD1 4.33Å; W880-F894 AromaticContact CZ3-CD1 3.75Å; W880-F894 HydrophobicContact CZ3-CD1 3.75Å; W880-F894 HydrophobicContact CZ3-CE1 4.06Å; I883-F894 HydrophobicContact CB-CE1 4.49Å; I883-F894 HydrophobicContact CG2-CE1 3.59Å; I883-F894 HydrophobicContact CG2-CZ 3.76Å; I883-F894 WeakPolarHBondContact O-CZ 3.38Å; F884-F894 HydrophobicContact CB-CE1 4.5Å; F884-F894 HydrophobicContact CD2-CE1 4.45Å; Y887-F894 VanDerWaalsContact C-CE2 3.43Å; Y887-F894 WeakPolarHBondContact O-CE2 3.38Å; G888-F894 VanDerWaalsContact CA-CZ 3.5Å; G888-F894 VanDerWaalsContact N-CE2 3.29Å; F892-F894 HydrophobicContact CB-CD2 4.35Å; F892-F894 HydrophobicContact CB-CE2 4.19Å; F892-F894 PolarHBondContact O-N 3.36Å; F892-F894 VanDerWaalsContact O-N 3.11Å; F894-N896 PolarHBondContact O-N 2.99Å; F894-L897 HydrophobicContact CD1-CD2 4.3Å; F894-L897 HydrophobicContact CE1-CD2 4.4Å; F894-L897 WeakPolarHBondContact O-CB 3.4Å; F894-L897 PolarHBondContact O-N 3.44Å; F894-L897 VanDerWaalsContact O-N 3.07Å; F894-I898 PolarHBondContact O-N 3.39Å; F894-S928 PolarHBondContact N-OG 2.9Å; F894-A929 HydrophobicContact CB-CB 3.58Å
895	S	76.4	Confident	76.5	Confident	30 Å²	30	37.5 Å²	37.5	21%	0.21	21%	0.205	C	C	.	.	H	α-helix	trans	-52	-44.6	172.4	170.3	0	0	0	0	111.2	S893 S899 A932	S893-S895 PolarHBondContact O-N 2.97Å; S895-S899 VanDerWaalsContact O-CB 3.28Å; S895-S899 WeakPolarHBondContact O-CB 3.04Å; S895-S899 PolarHBondContact O-N 3.34Å; S895-S899 PolarHBondContact O-OG 2.86Å; S895-A932 WeakPolarHBondContact OG-CB 3.4Å
896	N	79.9	Confident	77.2	Confident	88 Å²	88	33.4 Å²	33.4	47%	0.471	19%	0.188	S	C	.	.	H	α-helix	trans	-62.6	-46.1	175.9	-73.2	-22.1	0	0	0	111.8	Q860 S893 F894 I898 S899 G900	Q860-N896 PolarHBondContact NE2-O 3.44Å; S893-N896 PolarHBondContact O-N 3.05Å; S893-N896 PolarHBondContact OG-N 2.99Å; S893-N896 PolarHBondContact OG-ND2 2.76Å; F894-N896 PolarHBondContact O-N 2.99Å; N896-I898 PolarHBondContact O-N 3.37Å; N896-S899 PolarHBondContact O-N 2.92Å; N896-G900 PolarHBondContact O-N 3Å
897	L	86.9	Confident	78.2	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.7	-52.3	-179.2	178.6	62.3	0	0	0	111.3	I859 Q860 V876 W880 I883 F894 G900 I901	I859-L897 HydrophobicContact CB-CD1 3.99Å; I859-L897 HydrophobicContact CD1-CD1 4.44Å; I859-L897 HydrophobicContact CG2-CD1 3.73Å; Q860-L897 HydrophobicContact CG-CD1 4.48Å; V876-L897 HydrophobicContact CG2-CD1 4.39Å; W880-L897 HydrophobicContact CZ3-CD2 4.46Å; I883-L897 HydrophobicContact CG2-CD2 4.22Å; F894-L897 HydrophobicContact CD1-CD2 4.3Å; F894-L897 HydrophobicContact CE1-CD2 4.4Å; F894-L897 WeakPolarHBondContact O-CB 3.4Å; F894-L897 PolarHBondContact O-N 3.44Å; F894-L897 VanDerWaalsContact O-N 3.07Å; L897-G900 PolarHBondContact O-N 2.86Å; L897-I901 HydrophobicContact CD1-CG2 4.04Å; L897-I901 WeakPolarHBondContact O-CG1 3.46Å; L897-I901 WeakPolarHBondContact O-CG2 3.26Å; L897-I901 PolarHBondContact O-N 3.19Å
898	I	89	Confident	79.6	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61.1	-47.3	178.8	-66.3	-59	0	0	0	111.1	W880 F894 N896 G900 I901 T902 F917 A929 A932 L933 A936	W880-I898 HydrophobicContact CH2-CD1 4.07Å; W880-I898 HydrophobicContact CH2-CG1 4.36Å; W880-I898 HydrophobicContact CZ3-CD1 3.93Å; F894-I898 PolarHBondContact O-N 3.39Å; N896-I898 PolarHBondContact O-N 3.37Å; I898-G900 PolarHBondContact O-N 2.93Å; I898-I901 HydrophobicContact CD1-CD1 4.26Å; I898-I901 PolarHBondContact O-N 2.95Å; I898-T902 WeakPolarHBondContact O-CG2 3.33Å; I898-T902 PolarHBondContact O-N 3.12Å; I898-T902 PolarHBondContact O-OG1 3.02Å; I898-F917 HydrophobicContact CD1-CE1 3.91Å; I898-F917 HydrophobicContact CD1-CZ 4.39Å; I898-A929 HydrophobicContact CG1-CB 3.87Å; I898-A932 HydrophobicContact CB-CB 4.47Å; I898-L933 HydrophobicContact CG2-CB 4.45Å; I898-L933 HydrophobicContact CG2-CD1 4.27Å; I898-A936 HydrophobicContact CG2-CB 4.16Å
899	S	86.1	Confident	81.7	Confident	44 Å²	44	41.3 Å²	41.3	31%	0.308	22%	0.222	S	C	.	.	H	α-helix	trans	-61	-33.6	179.2	-61.2	0	0	0	0	112.9	S895 N896	S895-S899 VanDerWaalsContact O-CB 3.28Å; S895-S899 WeakPolarHBondContact O-CB 3.04Å; S895-S899 PolarHBondContact O-N 3.34Å; S895-S899 PolarHBondContact O-OG 2.86Å; N896-S899 PolarHBondContact O-N 2.92Å
900	G	89.1	Confident	83.7	Confident	12 Å²	12	32.6 Å²	32.6	12%	0.124	19%	0.19	C	C	.	.	H	α-helix	trans	-76.7	-42.9	-179.3	0	0	0	0	0	113.4	N896 L897 I898 L903	N896-G900 PolarHBondContact O-N 3Å; L897-G900 PolarHBondContact O-N 2.86Å; I898-G900 PolarHBondContact O-N 2.93Å; G900-L903 WeakPolarHBondContact O-CB 3.48Å
901	I	93.4	Very high	85.9	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-77.4	-23.6	-176.6	68.8	-175	0	0	0	113.5	I859 A863 W873 V876 L897 I898	I859-I901 HydrophobicContact CG2-CG2 4.15Å; A863-I901 HydrophobicContact CB-CB 4.26Å; A863-I901 HydrophobicContact CB-CG2 3.88Å; W873-I901 HydrophobicContact CE3-CD1 3.84Å; W873-I901 HydrophobicContact CE3-CG1 4.17Å; W873-I901 HydrophobicContact CZ3-CD1 4.03Å; W873-I901 HydrophobicContact CZ3-CG1 4.45Å; V876-I901 HydrophobicContact CB-CD1 3.89Å; V876-I901 HydrophobicContact CG1-CD1 3.68Å; V876-I901 HydrophobicContact CG2-CD1 4.01Å; V876-I901 HydrophobicContact CG2-CG2 4.45Å; L897-I901 HydrophobicContact CD1-CG2 4.04Å; L897-I901 WeakPolarHBondContact O-CG1 3.46Å; L897-I901 WeakPolarHBondContact O-CG2 3.26Å; L897-I901 PolarHBondContact O-N 3.19Å; I898-I901 HydrophobicContact CD1-CD1 4.26Å; I898-I901 PolarHBondContact O-N 2.95Å
902	T	94.3	Very high	88.2	Confident	6 Å²	6	34.3 Å²	34.3	4%	0.037	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	2.3	178.3	63.8	0	0	0	0	113.2	W873 I898 R904 F905 L914 A936	W873-T902 HydrophobicContact CZ3-CG2 4.34Å; I898-T902 WeakPolarHBondContact O-CG2 3.33Å; I898-T902 PolarHBondContact O-N 3.12Å; I898-T902 PolarHBondContact O-OG1 3.02Å; T902-R904 PolarHBondContact O-N 2.91Å; T902-F905 HydrophobicContact CG2-CD2 4.02Å; T902-F905 HydrophobicContact CG2-CE2 3.76Å; T902-F905 HydrophobicContact CG2-CZ 4.37Å; T902-F905 WeakPolarHBondContact O-CB 3.38Å; T902-F905 PolarHBondContact O-N 3.07Å; T902-L914 HydrophobicContact CG2-CD1 3.76Å; T902-L914 HydrophobicContact CG2-CD2 4.37Å; T902-A936 HydrophobicContact CG2-CB 4.32Å; T902-A936 WeakPolarHBondContact OG1-CB 3.02Å
903	L	92.5	Very high	90.2	Very high	34 Å²	34	35.5 Å²	35.5	18%	0.178	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-33.2	-170.3	-179	61.9	0	0	0	114.6	L703 G900	L703-L903 HydrophobicContact CD1-CD1 4.31Å; L703-L903 HydrophobicContact CD1-CD2 3.78Å; L703-L903 HydrophobicContact CD1-CG 3.85Å; L703-L903 HydrophobicContact CD2-CD2 4.32Å; G900-L903 WeakPolarHBondContact O-CB 3.48Å
904	R	94.6	Very high	91.8	Very high	18 Å²	18	33.4 Å²	33.4	7%	0.068	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-6.5	-178.3	-77.1	-172.9	171.9	79.3	1.1	114.7	L703 D706 R707 A863 N864 T902 S906	L703-R904 HydrophobicContact CB-CG 4.3Å; L703-R904 HydrophobicContact CD2-CG 3.72Å; L703-R904 VanDerWaalsContact CD2-CZ 3.49Å; D706-R904 IonicContact OD1-NE 2.9Å; D706-R904 IonicContact OD2-CZ 3.22Å; D706-R904 IonicContact OD2-NE 3.96Å; D706-R904 PolarHBondContact OD2-NE 2.89Å; D706-R904 IonicContact OD2-NH2 2.8Å; D706-R904 PolarHBondContact OD2-NH2 3.28Å; R707-R904 PolarHBondContact NH2-O 2.77Å; A863-R904 PolarHBondContact O-NH1 2.83Å; N864-R904 VanDerWaalsContact O-CZ 3.25Å; N864-R904 PolarHBondContact O-NH1 3.29Å; N864-R904 PolarHBondContact O-NH2 3.36Å; T902-R904 PolarHBondContact O-N 2.91Å; R904-S906 PolarHBondContact O-N 3.37Å; R904-S906 PolarHBondContact O-OG 3.29Å
905	F	96.6	Very high	92.7	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	19%	0.192	C	C	.	.			trans	-65.5	124.7	-171.6	-70.1	1.6	0	0	0	110.4	M869 W873 T902 E910 L914 T940 N943	M869-F905 HydrophobicContact SD-CE1 3.87Å; W873-F905 HydrophobicContact CD2-CE2 4.34Å; W873-F905 AromaticContact CD2-CZ 3.75Å; W873-F905 HydrophobicContact CD2-CZ 3.75Å; W873-F905 AromaticContact CE2-CZ 3.83Å; W873-F905 HydrophobicContact CE3-CZ 4.17Å; W873-F905 AromaticContact CG-CZ 3.94Å; W873-F905 HydrophobicContact CG-CZ 3.94Å; W873-F905 HydrophobicContact CH2-CE2 4.42Å; W873-F905 HydrophobicContact CZ2-CE2 4.17Å; W873-F905 HydrophobicContact CZ2-CZ 4.34Å; W873-F905 AromaticContact NE1-CZ 3.99Å; T902-F905 HydrophobicContact CG2-CD2 4.02Å; T902-F905 HydrophobicContact CG2-CE2 3.76Å; T902-F905 HydrophobicContact CG2-CZ 4.37Å; T902-F905 WeakPolarHBondContact O-CB 3.38Å; T902-F905 PolarHBondContact O-N 3.07Å; F905-E910 WeakPolarHBondContact CA-OE2 3.27Å; F905-E910 HydrophobicContact CB-CB 3.95Å; F905-E910 HydrophobicContact CD1-CB 4.07Å; F905-E910 HydrophobicContact CD1-CG 4Å; F905-E910 HydrophobicContact CD2-CB 3.97Å; F905-E910 HydrophobicContact CE1-CG 4.35Å; F905-E910 HydrophobicContact CE2-CB 4.46Å; F905-E910 HydrophobicContact CG-CB 3.75Å; F905-E910 HydrophobicContact CG-CG 4.21Å; F905-L914 HydrophobicContact CD2-CD2 4.5Å; F905-L914 HydrophobicContact CE2-CB 4.49Å; F905-T940 HydrophobicContact CB-CG2 3.7Å; F905-T940 WeakPolarHBondContact CB-OG1 3.45Å; F905-N943 WeakPolarHBondContact O-CB 3.18Å; F905-N943 PolarHBondContact O-ND2 3.05Å
906	S	96.3	Very high	93.6	Very high	12 Å²	12	41.3 Å²	41.3	8%	0.084	21%	0.205	C	C	.	.			trans	-152.7	14.2	-172.5	63.4	0	0	0	0	112.9	R904 E910 I944	R904-S906 PolarHBondContact O-N 3.37Å; R904-S906 PolarHBondContact O-OG 3.29Å; S906-E910 PolarHBondContact N-OE2 2.91Å; S906-I944 VanDerWaalsContact O-CG1 3.28Å; S906-I944 WeakPolarHBondContact O-CG1 3.39Å
907	T	96.9	Very high	94.4	Very high	61 Å²	61	37.2 Å²	37.2	37%	0.374	18%	0.183	S	C	.	.	S	Bend	trans	-124.4	153	177.9	66.7	0	0	0	0	111.8	F909 E910 L911 I944	T907-F909 PolarHBondContact O-N 3.01Å; T907-E910 PolarHBondContact N-OE2 3Å; T907-E910 PolarHBondContact O-N 2.94Å; T907-E910 VanDerWaalsContact OG1-CG 3.25Å; T907-E910 WeakPolarHBondContact OG1-CG 3.36Å; T907-E910 PolarHBondContact OG1-N 3.46Å; T907-E910 PolarHBondContact OG1-OE2 3.33Å; T907-L911 PolarHBondContact O-N 3.45Å; T907-L911 VanDerWaalsContact O-N 3.08Å; T907-I944 WeakPolarHBondContact O-CD1 3.3Å
908	E	97.3	Very high	94.7	Very high	95 Å²	95	39.9 Å²	39.9	44%	0.444	20%	0.195	S	C	.	.	H	α-helix	trans	-59.7	-33.8	177	-175	56.1	-148	0	0	112.2	L911 Q912	E908-L911 PolarHBondContact O-N 3.3Å; E908-Q912 WeakPolarHBondContact O-CG 3.39Å; E908-Q912 PolarHBondContact O-N 2.92Å; E908-Q912 PolarHBondContact OE1-NE2 3.07Å
909	F	97.3	Very high	95	Very high	131 Å²	131	46.3 Å²	46.3	58%	0.575	23%	0.225	S	C	*	.	H	α-helix	trans	-62.4	-48.4	175.7	179.1	-97	0	0	0	112	T907 L911 Q912 E913	T907-F909 PolarHBondContact O-N 3.01Å; F909-L911 VanDerWaalsContact C-N 3.31Å; F909-L911 PolarHBondContact O-N 3.42Å; F909-Q912 PolarHBondContact O-N 3.19Å; F909-E913 HydrophobicContact CD1-CG 4.3Å; F909-E913 HydrophobicContact CE1-CG 3.87Å; F909-E913 HydrophobicContact CZ-CG 4.06Å; F909-E913 WeakPolarHBondContact O-CG 3.17Å; F909-E913 PolarHBondContact O-N 3.48Å
910	E	97.4	Very high	95.3	Very high	11 Å²	11	49.2 Å²	49.2	5%	0.051	23%	0.234	C	C	.	.	H	α-helix	trans	-63.8	-36.6	177.8	-69.8	161.9	146.9	0	0	111.8	R707 F905 S906 T907 Q912 E913 L914	R707-E910 IonicContact CZ-OE1 3.04Å; R707-E910 VanDerWaalsContact CZ-OE1 3.27Å; R707-E910 IonicContact NH1-OE1 3.3Å; R707-E910 PolarHBondContact NH1-OE1 2.97Å; R707-E910 IonicContact NH2-OE1 3.87Å; R707-E910 PolarHBondContact NH2-OE1 2.92Å; R707-E910 IonicContact NH2-OE2 3.57Å; F905-E910 WeakPolarHBondContact CA-OE2 3.27Å; F905-E910 HydrophobicContact CB-CB 3.95Å; F905-E910 HydrophobicContact CD1-CB 4.07Å; F905-E910 HydrophobicContact CD1-CG 4Å; F905-E910 HydrophobicContact CD2-CB 3.97Å; F905-E910 HydrophobicContact CE1-CG 4.35Å; F905-E910 HydrophobicContact CE2-CB 4.46Å; F905-E910 HydrophobicContact CG-CB 3.75Å; F905-E910 HydrophobicContact CG-CG 4.21Å; S906-E910 PolarHBondContact N-OE2 2.91Å; T907-E910 PolarHBondContact N-OE2 3Å; T907-E910 PolarHBondContact O-N 2.94Å; T907-E910 VanDerWaalsContact OG1-CG 3.25Å; T907-E910 WeakPolarHBondContact OG1-CG 3.36Å; T907-E910 PolarHBondContact OG1-N 3.46Å; T907-E910 PolarHBondContact OG1-OE2 3.33Å; E910-Q912 VanDerWaalsContact C-N 3.35Å; E910-Q912 PolarHBondContact O-N 2.83Å; E910-E913 PolarHBondContact O-N 2.87Å; E910-L914 WeakPolarHBondContact O-CB 3.24Å; E910-L914 PolarHBondContact O-N 3.25Å
911	L	96.9	Very high	95.5	Very high	5 Å²	5	49.4 Å²	49.4	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-43.3	174.3	-179.2	59.9	0	0	0	111.8	T907 E908 F909 L914 K915 I937 T940 I944	T907-L911 PolarHBondContact O-N 3.45Å; T907-L911 VanDerWaalsContact O-N 3.08Å; E908-L911 PolarHBondContact O-N 3.3Å; F909-L911 VanDerWaalsContact C-N 3.31Å; F909-L911 PolarHBondContact O-N 3.42Å; L911-L914 PolarHBondContact O-N 3.16Å; L911-K915 HydrophobicContact CG-CD 4.44Å; L911-K915 WeakPolarHBondContact O-CG 3.34Å; L911-K915 PolarHBondContact O-N 3.02Å; L911-I937 HydrophobicContact CD1-CG2 3.98Å; L911-T940 HydrophobicContact CB-CG2 3.86Å; L911-T940 HydrophobicContact CD1-CG2 4.08Å; L911-I944 HydrophobicContact CB-CD1 3.99Å; L911-I944 HydrophobicContact CD2-CD1 3.92Å
912	Q	97.6	Very high	95.3	Very high	110 Å²	110	55.1 Å²	55.1	51%	0.514	26%	0.262	S	S	.	.	H	α-helix	trans	-65.6	-40.7	176.3	-71.1	174.6	8.9	0	0	111.7	E908 F909 E910 L914 K915 K916	E908-Q912 WeakPolarHBondContact O-CG 3.39Å; E908-Q912 PolarHBondContact O-N 2.92Å; E908-Q912 PolarHBondContact OE1-NE2 3.07Å; F909-Q912 PolarHBondContact O-N 3.19Å; E910-Q912 VanDerWaalsContact C-N 3.35Å; E910-Q912 PolarHBondContact O-N 2.83Å; Q912-L914 VanDerWaalsContact C-N 3.31Å; Q912-L914 PolarHBondContact O-N 3.03Å; Q912-K915 PolarHBondContact O-N 3.05Å; Q912-K916 WeakPolarHBondContact O-CB 3.4Å; Q912-K916 PolarHBondContact O-N 2.98Å
913	E	96.4	Very high	94.9	Very high	40 Å²	40	62.2 Å²	62.2	19%	0.187	29%	0.294	C	S	.	.	H	α-helix	trans	-60.7	-40.3	174.1	-71.1	-157	110.3	0	0	112.4	W873 R877 F909 E910 K916 F917	W873-E913 HydrophobicContact CZ2-CB 4.21Å; W873-E913 PolarHBondContact NE1-OE2 2.99Å; R877-E913 IonicContact CZ-OE1 3.89Å; R877-E913 VanDerWaalsContact CZ-OE1 3.22Å; R877-E913 IonicContact NH1-OE1 2.78Å; R877-E913 PolarHBondContact NH1-OE1 3.32Å; R877-E913 IonicContact NH2-OE1 2.98Å; R877-E913 PolarHBondContact NH2-OE1 3.49Å; R877-E913 IonicContact NH2-OE2 3.97Å; F909-E913 HydrophobicContact CD1-CG 4.3Å; F909-E913 HydrophobicContact CE1-CG 3.87Å; F909-E913 HydrophobicContact CZ-CG 4.06Å; F909-E913 WeakPolarHBondContact O-CG 3.17Å; F909-E913 PolarHBondContact O-N 3.48Å; E910-E913 PolarHBondContact O-N 2.87Å; E913-K916 PolarHBondContact O-N 3.25Å; E913-F917 WeakPolarHBondContact O-CB 3.38Å; E913-F917 PolarHBondContact O-N 3.11Å
914	L	95.5	Very high	94.6	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-68.2	-43.2	179.2	-173.2	60.4	0	0	0	112.1	W873 T902 F905 E910 L911 Q912 F917 K918 L933 A936 I937	W873-L914 HydrophobicContact CH2-CD1 3.75Å; W873-L914 HydrophobicContact CZ3-CD1 4.32Å; T902-L914 HydrophobicContact CG2-CD1 3.76Å; T902-L914 HydrophobicContact CG2-CD2 4.37Å; F905-L914 HydrophobicContact CD2-CD2 4.5Å; F905-L914 HydrophobicContact CE2-CB 4.49Å; E910-L914 WeakPolarHBondContact O-CB 3.24Å; E910-L914 PolarHBondContact O-N 3.25Å; L911-L914 PolarHBondContact O-N 3.16Å; Q912-L914 VanDerWaalsContact C-N 3.31Å; Q912-L914 PolarHBondContact O-N 3.03Å; L914-F917 HydrophobicContact CD1-CD1 4.48Å; L914-F917 PolarHBondContact O-N 3Å; L914-K918 PolarHBondContact O-N 3.37Å; L914-L933 HydrophobicContact CD1-CD1 3.58Å; L914-L933 HydrophobicContact CG-CD1 4.16Å; L914-A936 HydrophobicContact CD2-CB 3.82Å; L914-I937 HydrophobicContact CD2-CB 4.41Å; L914-I937 HydrophobicContact CD2-CG1 3.64Å; L914-I937 HydrophobicContact CG-CG1 3.84Å
915	K	95.8	Very high	94.1	Very high	86 Å²	86	62 Å²	62	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-62.3	-43.1	174.5	-73.5	174.8	178.7	173.1	0	111.6	L911 Q912 K918 E919 I937	L911-K915 HydrophobicContact CG-CD 4.44Å; L911-K915 WeakPolarHBondContact O-CG 3.34Å; L911-K915 PolarHBondContact O-N 3.02Å; Q912-K915 PolarHBondContact O-N 3.05Å; K915-K918 VanDerWaalsContact O-CB 3.31Å; K915-K918 WeakPolarHBondContact O-CB 3.46Å; K915-K918 PolarHBondContact O-N 3.47Å; K915-E919 WeakPolarHBondContact O-CG 3.42Å; K915-E919 PolarHBondContact O-N 3.29Å; K915-E919 VanDerWaalsContact O-N 3.08Å; K915-I937 HydrophobicContact CG-CD1 4.37Å
916	K	96.3	Very high	93.4	Very high	113 Å²	113	62.6 Å²	62.6	49%	0.491	30%	0.304	S	S	.	.	H	α-helix	trans	-63.2	-43.2	175.9	-177.2	173.2	173.3	177.9	0	112.1	Q912 E913 K918 E919 E920	Q912-K916 WeakPolarHBondContact O-CB 3.4Å; Q912-K916 PolarHBondContact O-N 2.98Å; E913-K916 PolarHBondContact O-N 3.25Å; K916-K918 VanDerWaalsContact C-N 3.27Å; K916-K918 PolarHBondContact O-N 3.33Å; K916-E919 PolarHBondContact O-N 2.84Å; K916-E920 WeakPolarHBondContact CE-OE1 3.3Å; K916-E920 HydrophobicContact CG-CG 4.27Å; K916-E920 IonicContact NZ-OE1 2.84Å; K916-E920 WeakPolarHBondContact O-CG 3.3Å; K916-E920 PolarHBondContact O-N 3.19Å
917	F	95.4	Very high	92.5	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.009	32%	0.322	C	S	.	.	H	α-helix	trans	-57.9	-40.5	174.9	170.2	-109.6	0	0	0	112.3	W873 R877 W880 I898 E913 L914 N921 F926 L933	W873-F917 HydrophobicContact CH2-CB 3.79Å; W873-F917 AromaticContact CH2-CD1 3.86Å; W873-F917 HydrophobicContact CH2-CD1 3.86Å; W873-F917 AromaticContact CH2-CG 3.81Å; W873-F917 HydrophobicContact CH2-CG 3.81Å; W873-F917 HydrophobicContact CZ2-CB 4.18Å; W873-F917 HydrophobicContact CZ3-CD1 4.28Å; W873-F917 HydrophobicContact CZ3-CG 4.45Å; R877-F917 HydrophobicContact CB-CD2 4.32Å; R877-F917 HydrophobicContact CG-CD2 3.66Å; R877-F917 HydrophobicContact CG-CE2 4.14Å; R877-F917 HydrophobicContact CG-CG 4.25Å; W880-F917 HydrophobicContact CB-CE2 4.17Å; W880-F917 HydrophobicContact CD2-CE2 4.29Å; W880-F917 AromaticContact CD2-CZ 3.79Å; W880-F917 HydrophobicContact CD2-CZ 3.79Å; W880-F917 AromaticContact CE3-CZ 3.87Å; W880-F917 HydrophobicContact CE3-CZ 3.87Å; W880-F917 HydrophobicContact CG-CE2 4.11Å; W880-F917 HydrophobicContact CG-CZ 4.08Å; W880-F917 HydrophobicContact CZ3-CZ 4.34Å; I898-F917 HydrophobicContact CD1-CE1 3.91Å; I898-F917 HydrophobicContact CD1-CZ 4.39Å; E913-F917 WeakPolarHBondContact O-CB 3.38Å; E913-F917 PolarHBondContact O-N 3.11Å; L914-F917 HydrophobicContact CD1-CD1 4.48Å; L914-F917 PolarHBondContact O-N 3Å; F917-N921 VanDerWaalsContact CD2-ND2 3.27Å; F917-N921 WeakPolarHBondContact CD2-ND2 3.38Å; F917-N921 VanDerWaalsContact CE2-ND2 3.34Å; F917-N921 WeakPolarHBondContact CE2-ND2 3.41Å; F917-N921 PolarHBondContact O-N 3.04Å; F917-N921 PolarHBondContact O-ND2 2.88Å; F917-F926 HydrophobicContact CD1-CE1 4.34Å; F917-F926 AromaticContact CE1-CE1 3.66Å; F917-F926 HydrophobicContact CE1-CE1 3.66Å; F917-F926 HydrophobicContact CE1-CZ 4.47Å; F917-F926 AromaticContact CZ-CE1 3.94Å; F917-F926 HydrophobicContact CZ-CE1 3.94Å; F917-L933 HydrophobicContact CD1-CD1 4.26Å; F917-L933 HydrophobicContact CE1-CD1 4.48Å
918	K	94.5	Very high	91.3	Very high	56 Å²	56	64.5 Å²	64.5	24%	0.243	33%	0.326	C	S	.	.	H	α-helix	trans	-58	-53.5	173.6	-177.9	179.5	179.1	-175.8	0	111.3	L914 K915 K916 N921 L922 F926 L933 E934 I937	L914-K918 PolarHBondContact O-N 3.37Å; K915-K918 VanDerWaalsContact O-CB 3.31Å; K915-K918 WeakPolarHBondContact O-CB 3.46Å; K915-K918 PolarHBondContact O-N 3.47Å; K916-K918 VanDerWaalsContact C-N 3.27Å; K916-K918 PolarHBondContact O-N 3.33Å; K918-N921 PolarHBondContact O-N 3.08Å; K918-L922 WeakPolarHBondContact O-CG 3.33Å; K918-L922 PolarHBondContact O-N 3.43Å; K918-F926 HydrophobicContact CG-CE2 4.48Å; K918-L933 HydrophobicContact CB-CD2 3.77Å; K918-L933 HydrophobicContact CB-CG 4.46Å; K918-L933 HydrophobicContact CD-CD2 4.2Å; K918-L933 HydrophobicContact CG-CD2 3.68Å; K918-L933 HydrophobicContact CG-CG 4.49Å; K918-E934 VanDerWaalsContact CE-OE1 3.25Å; K918-E934 WeakPolarHBondContact CE-OE1 3.45Å; K918-E934 IonicContact NZ-OE1 2.99Å; K918-E934 PolarHBondContact NZ-OE1 2.73Å; K918-E934 IonicContact NZ-OE2 2.71Å; K918-E934 PolarHBondContact NZ-OE2 2.87Å; K918-I937 HydrophobicContact CD-CD1 3.89Å
919	E	94.6	Very high	90.4	Very high	135 Å²	135	60 Å²	60	63%	0.631	31%	0.305	S	S	*	.	H	α-helix	trans	-59.8	-46.8	-178.4	-70.2	170.9	-173.8	0	0	112.3	K915 K916 N921	K915-E919 WeakPolarHBondContact O-CG 3.42Å; K915-E919 PolarHBondContact O-N 3.29Å; K915-E919 VanDerWaalsContact O-N 3.08Å; K916-E919 PolarHBondContact O-N 2.84Å; E919-N921 VanDerWaalsContact C-N 3.28Å; E919-N921 PolarHBondContact O-N 3.47Å
920	E	93.6	Very high	89.6	Confident	104 Å²	104	57.1 Å²	57.1	49%	0.486	30%	0.299	S	S	.	.	H	α-helix	trans	-66	-28.4	-176.4	-72.4	178	160.7	0	0	113.1	K916 H923	K916-E920 WeakPolarHBondContact CE-OE1 3.3Å; K916-E920 HydrophobicContact CG-CG 4.27Å; K916-E920 IonicContact NZ-OE1 2.84Å; K916-E920 WeakPolarHBondContact O-CG 3.3Å; K916-E920 PolarHBondContact O-N 3.19Å; E920-H923 PolarHBondContact O-CE1 3.19Å; E920-H923 PolarHBondContact O-ND1 3.47Å
921	N	92.3	Very high	88.6	Confident	17 Å²	17	61.4 Å²	61.4	9%	0.091	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	10	-174.1	-67.4	-83	0	0	0	114.3	F917 K918 E919 H923 V924 G925 F926	F917-N921 VanDerWaalsContact CD2-ND2 3.27Å; F917-N921 WeakPolarHBondContact CD2-ND2 3.38Å; F917-N921 VanDerWaalsContact CE2-ND2 3.34Å; F917-N921 WeakPolarHBondContact CE2-ND2 3.41Å; F917-N921 PolarHBondContact O-N 3.04Å; F917-N921 PolarHBondContact O-ND2 2.88Å; K918-N921 PolarHBondContact O-N 3.08Å; E919-N921 VanDerWaalsContact C-N 3.28Å; E919-N921 PolarHBondContact O-N 3.47Å; N921-H923 PolarHBondContact O-N 3Å; N921-V924 PolarHBondContact O-N 2.94Å; N921-G925 PolarHBondContact O-N 2.89Å; N921-F926 HydrophobicContact CB-CE1 4.1Å; N921-F926 HydrophobicContact CB-CE2 4.42Å; N921-F926 HydrophobicContact CB-CZ 3.64Å
922	L	88.9	Confident	87.8	Confident	120 Å²	120	61.2 Å²	61.2	63%	0.628	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-36.2	174.7	-74.2	174	0	0	0	113	K918 G925	K918-L922 WeakPolarHBondContact O-CG 3.33Å; K918-L922 PolarHBondContact O-N 3.43Å; L922-G925 PolarHBondContact O-N 3.39Å
923	H	86.5	Confident	87.3	Confident	155 Å²	155	56 Å²	56	72%	0.718	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-27.2	179.5	71.4	-80.5	0	0	0	113.6	E920 N921	E920-H923 PolarHBondContact O-CE1 3.19Å; E920-H923 PolarHBondContact O-ND1 3.47Å; N921-H923 PolarHBondContact O-N 3Å
924	V	86.3	Confident	86.7	Confident	27 Å²	27	57.7 Å²	57.7	16%	0.164	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-39.8	173.4	-177.5	0	0	0	0	109.9	F884 N921	F884-V924 HydrophobicContact CB-CG1 4.11Å; F884-V924 HydrophobicContact CD1-CG1 3.6Å; F884-V924 HydrophobicContact CE1-CG1 4.31Å; F884-V924 VanDerWaalsContact CE1-O 3.29Å; F884-V924 WeakPolarHBondContact CE1-O 3.45Å; F884-V924 HydrophobicContact CG-CG1 4.01Å; N921-V924 PolarHBondContact O-N 2.94Å
925	G	84.7	Confident	86	Confident	22 Å²	22	60.5 Å²	60.5	23%	0.227	32%	0.316	C	S	.	.			trans	87.3	173.6	-172	0	0	0	0	0	113	W880 N921 L922	W880-G925 PolarHBondContact NE1-O 3.18Å; W880-G925 VanDerWaalsContact NE1-O 3.14Å; N921-G925 PolarHBondContact O-N 2.89Å; L922-G925 PolarHBondContact O-N 3.39Å
926	F	80.6	Confident	85.7	Confident	13 Å²	13	56.6 Å²	56.6	6%	0.057	30%	0.3	C	S	.	.			trans	-123.1	-7.9	-179.2	-62.3	-83	0	0	0	114.4	W880 F917 K918 N921 S928 A929 L933	W880-F926 AromaticContact CE2-CD1 3.94Å; W880-F926 HydrophobicContact CH2-CD1 4.11Å; W880-F926 HydrophobicContact CZ2-CB 4.48Å; W880-F926 AromaticContact CZ2-CD1 3.41Å; W880-F926 HydrophobicContact CZ2-CD1 3.41Å; W880-F926 VanDerWaalsContact CZ2-CD1 3.41Å; W880-F926 AromaticContact CZ2-CE1 3.97Å; W880-F926 HydrophobicContact CZ2-CE1 3.97Å; W880-F926 HydrophobicContact CZ2-CG 4.29Å; F917-F926 HydrophobicContact CD1-CE1 4.34Å; F917-F926 AromaticContact CE1-CE1 3.66Å; F917-F926 HydrophobicContact CE1-CE1 3.66Å; F917-F926 HydrophobicContact CE1-CZ 4.47Å; F917-F926 AromaticContact CZ-CE1 3.94Å; F917-F926 HydrophobicContact CZ-CE1 3.94Å; K918-F926 HydrophobicContact CG-CE2 4.48Å; N921-F926 HydrophobicContact CB-CE1 4.1Å; N921-F926 HydrophobicContact CB-CE2 4.42Å; N921-F926 HydrophobicContact CB-CZ 3.64Å; F926-S928 PolarHBondContact O-N 2.76Å; F926-A929 HydrophobicContact CB-CB 4.38Å; F926-A929 WeakPolarHBondContact O-CB 3.47Å; F926-A929 PolarHBondContact O-N 2.85Å; F926-L933 HydrophobicContact CD1-CD2 3.81Å; F926-L933 HydrophobicContact CD2-CD2 4.04Å; F926-L933 HydrophobicContact CE1-CD2 3.57Å; F926-L933 HydrophobicContact CE2-CD2 3.79Å; F926-L933 HydrophobicContact CG-CD2 4.05Å; F926-L933 HydrophobicContact CZ-CD2 3.56Å
927	G	77.4	Confident	85.4	Confident	46 Å²	46	52.2 Å²	52.2	47%	0.474	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	51	-128.5	179.8	0	0	0	0	0	111.9	A929 T930	G927-A929 PolarHBondContact O-N 2.87Å; G927-A929 VanDerWaalsContact O-N 3.12Å; G927-T930 PolarHBondContact O-N 3.36Å; G927-T930 PolarHBondContact O-OG1 3.35Å
928	S	72.1	Confident	84.8	Confident	66 Å²	66	57.4 Å²	57.4	46%	0.462	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-64.1	-9.9	177.1	60.9	0	0	0	0	114.9	F892 F894 F926	F892-S928 PolarHBondContact O-OG 3.17Å; F894-S928 PolarHBondContact N-OG 2.9Å; F926-S928 PolarHBondContact O-N 2.76Å
929	A	77.4	Confident	84.4	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-92.2	-1.6	176.1	0	0	0	0	0	115.1	F894 I898 F926 G927 M931 A932 L933	F894-A929 HydrophobicContact CB-CB 3.58Å; I898-A929 HydrophobicContact CG1-CB 3.87Å; F926-A929 HydrophobicContact CB-CB 4.38Å; F926-A929 WeakPolarHBondContact O-CB 3.47Å; F926-A929 PolarHBondContact O-N 2.85Å; G927-A929 PolarHBondContact O-N 2.87Å; G927-A929 VanDerWaalsContact O-N 3.12Å; A929-M931 PolarHBondContact O-N 2.98Å; A929-A932 WeakPolarHBondContact O-CB 3.39Å; A929-A932 PolarHBondContact O-N 3.32Å; A929-A932 VanDerWaalsContact O-N 3.1Å; A929-L933 PolarHBondContact O-N 3.07Å
930	T	80.8	Confident	84.3	Confident	72 Å²	72	52.6 Å²	52.6	44%	0.442	28%	0.283	S	S	.	.	H	α-helix	trans	-55.6	-51.1	-176.1	-53.1	0	0	0	0	111.4	G927 A932 L933 E934	G927-T930 PolarHBondContact O-N 3.36Å; G927-T930 PolarHBondContact O-OG1 3.35Å; T930-A932 PolarHBondContact O-N 2.89Å; T930-L933 PolarHBondContact O-N 3.37Å; T930-E934 PolarHBondContact O-N 3.46Å
931	M	76.3	Confident	84.1	Confident	100 Å²	100	50.9 Å²	50.9	49%	0.493	28%	0.279	S	S	.	.	H	α-helix	trans	-62.1	-42.3	175.7	-165.7	82.3	72.4	0	0	112.2	A929 L933 E934 Q935	A929-M931 PolarHBondContact O-N 2.98Å; M931-L933 VanDerWaalsContact C-N 3.25Å; M931-L933 PolarHBondContact O-N 3.48Å; M931-E934 PolarHBondContact O-N 3.33Å; M931-Q935 WeakPolarHBondContact O-CG 3.27Å; M931-Q935 PolarHBondContact O-N 3.28Å
932	A	80.4	Confident	83.9	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.008	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-31.2	-178.5	0	0	0	0	0	112.8	S895 I898 A929 T930 A936	S895-A932 WeakPolarHBondContact OG-CB 3.4Å; I898-A932 HydrophobicContact CB-CB 4.47Å; A929-A932 WeakPolarHBondContact O-CB 3.39Å; A929-A932 PolarHBondContact O-N 3.32Å; A929-A932 VanDerWaalsContact O-N 3.1Å; T930-A932 PolarHBondContact O-N 2.89Å; A932-A936 VanDerWaalsContact O-CB 3.27Å; A932-A936 WeakPolarHBondContact O-CB 3.38Å; A932-A936 PolarHBondContact O-N 2.82Å
933	L	87.4	Confident	84.1	Confident	2 Å²	2	46 Å²	46	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-69.7	-41.7	175.5	-176.8	59.8	0	0	0	111.8	I898 L914 F917 K918 F926 A929 T930 M931 A936 I937	I898-L933 HydrophobicContact CG2-CB 4.45Å; I898-L933 HydrophobicContact CG2-CD1 4.27Å; L914-L933 HydrophobicContact CD1-CD1 3.58Å; L914-L933 HydrophobicContact CG-CD1 4.16Å; F917-L933 HydrophobicContact CD1-CD1 4.26Å; F917-L933 HydrophobicContact CE1-CD1 4.48Å; K918-L933 HydrophobicContact CB-CD2 3.77Å; K918-L933 HydrophobicContact CB-CG 4.46Å; K918-L933 HydrophobicContact CD-CD2 4.2Å; K918-L933 HydrophobicContact CG-CD2 3.68Å; K918-L933 HydrophobicContact CG-CG 4.49Å; F926-L933 HydrophobicContact CD1-CD2 3.81Å; F926-L933 HydrophobicContact CD2-CD2 4.04Å; F926-L933 HydrophobicContact CE1-CD2 3.57Å; F926-L933 HydrophobicContact CE2-CD2 3.79Å; F926-L933 HydrophobicContact CG-CD2 4.05Å; F926-L933 HydrophobicContact CZ-CD2 3.56Å; A929-L933 PolarHBondContact O-N 3.07Å; T930-L933 PolarHBondContact O-N 3.37Å; M931-L933 VanDerWaalsContact C-N 3.25Å; M931-L933 PolarHBondContact O-N 3.48Å; L933-A936 PolarHBondContact O-N 2.94Å; L933-I937 WeakPolarHBondContact O-CG1 3.32Å; L933-I937 PolarHBondContact O-N 2.84Å; L933-I937 VanDerWaalsContact O-N 3.08Å
934	E	84.1	Confident	84.4	Confident	74 Å²	74	40.1 Å²	40.1	35%	0.346	23%	0.232	S	C	.	.	H	α-helix	trans	-63.1	-47.2	173.1	-56.7	-63.3	-179.8	0	0	110.8	K918 T930 M931 A936 I937 E938	K918-E934 VanDerWaalsContact CE-OE1 3.25Å; K918-E934 WeakPolarHBondContact CE-OE1 3.45Å; K918-E934 IonicContact NZ-OE1 2.99Å; K918-E934 PolarHBondContact NZ-OE1 2.73Å; K918-E934 IonicContact NZ-OE2 2.71Å; K918-E934 PolarHBondContact NZ-OE2 2.87Å; T930-E934 PolarHBondContact O-N 3.46Å; M931-E934 PolarHBondContact O-N 3.33Å; E934-A936 PolarHBondContact O-N 3.2Å; E934-I937 WeakPolarHBondContact O-CB 3.48Å; E934-I937 PolarHBondContact O-N 2.65Å; E934-E938 PolarHBondContact O-N 3.04Å
935	Q	80.9	Confident	84.7	Confident	60 Å²	60	41.5 Å²	41.5	28%	0.28	24%	0.236	S	C	.	.	H	α-helix	trans	-58	-37.2	175.4	-71.3	172.8	-15.5	0	0	112	M931 K939	M931-Q935 WeakPolarHBondContact O-CG 3.27Å; M931-Q935 PolarHBondContact O-N 3.28Å; Q935-K939 WeakPolarHBondContact O-CB 3.49Å; Q935-K939 PolarHBondContact O-N 2.62Å
936	A	89.2	Confident	85.1	Confident	4 Å²	4	41.1 Å²	41.1	3%	0.033	23%	0.227	C	C	.	.	H	α-helix	trans	-66.8	-38.2	175.9	0	0	0	0	0	112.3	I898 T902 L914 A932 L933 E934 T940	I898-A936 HydrophobicContact CG2-CB 4.16Å; T902-A936 HydrophobicContact CG2-CB 4.32Å; T902-A936 WeakPolarHBondContact OG1-CB 3.02Å; L914-A936 HydrophobicContact CD2-CB 3.82Å; A932-A936 VanDerWaalsContact O-CB 3.27Å; A932-A936 WeakPolarHBondContact O-CB 3.38Å; A932-A936 PolarHBondContact O-N 2.82Å; L933-A936 PolarHBondContact O-N 2.94Å; E934-A936 PolarHBondContact O-N 3.2Å; A936-T940 VanDerWaalsContact O-CB 3.31Å; A936-T940 WeakPolarHBondContact O-CB 3.4Å; A936-T940 PolarHBondContact O-N 2.85Å; A936-T940 PolarHBondContact O-OG1 3.5Å
937	I	89.6	Confident	85.8	Confident	20 Å²	20	41.5 Å²	41.5	10%	0.103	23%	0.231	C	C	.	.	H	α-helix	trans	-66.2	-47.3	175.6	-69.3	168.9	0	0	0	110.5	L911 L914 K915 K918 L933 E934 T940 T941	L911-I937 HydrophobicContact CD1-CG2 3.98Å; L914-I937 HydrophobicContact CD2-CB 4.41Å; L914-I937 HydrophobicContact CD2-CG1 3.64Å; L914-I937 HydrophobicContact CG-CG1 3.84Å; K915-I937 HydrophobicContact CG-CD1 4.37Å; K918-I937 HydrophobicContact CD-CD1 3.89Å; L933-I937 WeakPolarHBondContact O-CG1 3.32Å; L933-I937 PolarHBondContact O-N 2.84Å; L933-I937 VanDerWaalsContact O-N 3.08Å; E934-I937 WeakPolarHBondContact O-CB 3.48Å; E934-I937 PolarHBondContact O-N 2.65Å; I937-T940 PolarHBondContact O-N 2.81Å; I937-T941 PolarHBondContact O-N 3.46Å; I937-T941 PolarHBondContact O-OG1 2.98Å
938	E	83.6	Confident	86.6	Confident	111 Å²	111	44.6 Å²	44.6	52%	0.519	24%	0.241	S	C	.	.	H	α-helix	trans	-60.3	-49.3	176.2	-71.3	-178.4	178.2	0	0	111.2	E934 T940 T941 A942	E934-E938 PolarHBondContact O-N 3.04Å; E938-T940 VanDerWaalsContact C-N 3.35Å; E938-T940 PolarHBondContact O-N 2.77Å; E938-T941 WeakPolarHBondContact O-CB 3.26Å; E938-T941 PolarHBondContact O-N 3.24Å; E938-T941 VanDerWaalsContact O-N 3.15Å; E938-A942 PolarHBondContact O-N 3.25Å
939	K	86.3	Confident	87.7	Confident	90 Å²	90	45.6 Å²	45.6	39%	0.391	24%	0.238	S	C	.	.	H	α-helix	trans	-61.1	-41.7	179.2	-175.5	175.1	-179.2	177.6	0	112.2	Q935 T941 A942 N943	Q935-K939 WeakPolarHBondContact O-CB 3.49Å; Q935-K939 PolarHBondContact O-N 2.62Å; K939-T941 VanDerWaalsContact C-N 3.32Å; K939-T941 PolarHBondContact O-N 2.95Å; K939-A942 PolarHBondContact O-N 2.88Å; K939-N943 WeakPolarHBondContact O-CB 3.4Å; K939-N943 PolarHBondContact O-N 3.37Å; K939-N943 PolarHBondContact O-ND2 2.72Å; K939-N943 PolarHBondContact O-OD1 2.75Å
940	T	92.3	Very high	88.5	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.006	24%	0.243	C	C	.	.	H	α-helix	trans	-62.5	-42.4	176.2	-58.7	0	0	0	0	110.8	F905 L911 A936 I937 E938 N943 I944	F905-T940 HydrophobicContact CB-CG2 3.7Å; F905-T940 WeakPolarHBondContact CB-OG1 3.45Å; L911-T940 HydrophobicContact CB-CG2 3.86Å; L911-T940 HydrophobicContact CD1-CG2 4.08Å; A936-T940 VanDerWaalsContact O-CB 3.31Å; A936-T940 WeakPolarHBondContact O-CB 3.4Å; A936-T940 PolarHBondContact O-N 2.85Å; A936-T940 PolarHBondContact O-OG1 3.5Å; I937-T940 PolarHBondContact O-N 2.81Å; E938-T940 VanDerWaalsContact C-N 3.35Å; E938-T940 PolarHBondContact O-N 2.77Å; T940-N943 PolarHBondContact O-N 2.94Å; T940-I944 HydrophobicContact CG2-CD1 4.17Å; T940-I944 VanDerWaalsContact O-CG1 3.29Å; T940-I944 WeakPolarHBondContact O-CG1 3.48Å; T940-I944 PolarHBondContact O-N 2.84Å
941	T	89.9	Confident	89.3	Confident	67 Å²	67	45.9 Å²	45.9	41%	0.411	23%	0.234	S	C	.	.	H	α-helix	trans	-61.3	-45.9	176.1	-54.4	0	0	0	0	111.4	I937 E938 K939 N943 I944 K945	I937-T941 PolarHBondContact O-N 3.46Å; I937-T941 PolarHBondContact O-OG1 2.98Å; E938-T941 WeakPolarHBondContact O-CB 3.26Å; E938-T941 PolarHBondContact O-N 3.24Å; E938-T941 VanDerWaalsContact O-N 3.15Å; K939-T941 VanDerWaalsContact C-N 3.32Å; K939-T941 PolarHBondContact O-N 2.95Å; T941-N943 VanDerWaalsContact C-N 3.34Å; T941-N943 PolarHBondContact O-N 2.91Å; T941-I944 PolarHBondContact O-N 2.83Å; T941-K945 PolarHBondContact O-N 2.63Å
942	A	87.3	Confident	90.3	Very high	34 Å²	34	44.6 Å²	44.6	28%	0.281	24%	0.24	S	C	.	.	H	α-helix	trans	-63	-39.3	176.1	0	0	0	0	0	112.4	E938 K939 K945 W946	E938-A942 PolarHBondContact O-N 3.25Å; K939-A942 PolarHBondContact O-N 2.88Å; A942-K945 PolarHBondContact O-N 2.83Å; A942-W946 WeakPolarHBondContact O-CB 3.48Å; A942-W946 PolarHBondContact O-N 2.88Å
943	N	92.3	Very high	91.1	Very high	2 Å²	2	49 Å²	49	1%	0.011	26%	0.263	C	S	.	.	H	α-helix	trans	-63.8	-44.7	176.8	-71.7	-15.3	0	0	0	112.1	Y700 M704 F905 K939 T940 T941 K945 W946 V947	Y700-N943 VanDerWaalsContact CE2-OD1 3.28Å; Y700-N943 WeakPolarHBondContact CE2-OD1 3.42Å; Y700-N943 PolarHBondContact OH-OD1 2.81Å; M704-N943 HydrophobicContact SD-CB 3.71Å; M704-N943 VanDerWaalsContact SD-CG 3.58Å; F905-N943 WeakPolarHBondContact O-CB 3.18Å; F905-N943 PolarHBondContact O-ND2 3.05Å; K939-N943 WeakPolarHBondContact O-CB 3.4Å; K939-N943 PolarHBondContact O-N 3.37Å; K939-N943 PolarHBondContact O-ND2 2.72Å; K939-N943 PolarHBondContact O-OD1 2.75Å; T940-N943 PolarHBondContact O-N 2.94Å; T941-N943 VanDerWaalsContact C-N 3.34Å; T941-N943 PolarHBondContact O-N 2.91Å; N943-K945 VanDerWaalsContact C-N 3.3Å; N943-K945 PolarHBondContact O-N 2.79Å; N943-W946 PolarHBondContact O-N 2.87Å; N943-V947 WeakPolarHBondContact O-CB 3.33Å; N943-V947 WeakPolarHBondContact O-CG2 3.34Å; N943-V947 PolarHBondContact O-N 3.05Å
944	I	94.1	Very high	91.6	Very high	30 Å²	30	49 Å²	49	15%	0.154	26%	0.263	C	S	.	.	H	α-helix	trans	-55.8	-48.7	176.8	-69.3	160.5	0	0	0	110.2	S906 T907 L911 T940 T941 T948	S906-I944 VanDerWaalsContact O-CG1 3.28Å; S906-I944 WeakPolarHBondContact O-CG1 3.39Å; T907-I944 WeakPolarHBondContact O-CD1 3.3Å; L911-I944 HydrophobicContact CB-CD1 3.99Å; L911-I944 HydrophobicContact CD2-CD1 3.92Å; T940-I944 HydrophobicContact CG2-CD1 4.17Å; T940-I944 VanDerWaalsContact O-CG1 3.29Å; T940-I944 WeakPolarHBondContact O-CG1 3.48Å; T940-I944 PolarHBondContact O-N 2.84Å; T941-I944 PolarHBondContact O-N 2.83Å; I944-T948 WeakPolarHBondContact O-CB 3.34Å; I944-T948 PolarHBondContact O-N 3.43Å; I944-T948 PolarHBondContact O-OG1 3.49Å
945	K	91.7	Very high	92.3	Very high	56 Å²	56	47.8 Å²	47.8	24%	0.243	26%	0.259	C	S	.	.	H	α-helix	trans	-61.6	-48.8	178.9	-178.1	-179.9	174	-168.4	0	111.5	D565 D567 T941 A942 N943 V947 T948 E949	D565-K945 IonicContact OD1-NZ 3.69Å; D565-K945 PolarHBondContact OD1-NZ 2.93Å; D567-K945 IonicContact OD2-NZ 2.86Å; D567-K945 PolarHBondContact OD2-NZ 3.28Å; T941-K945 PolarHBondContact O-N 2.63Å; A942-K945 PolarHBondContact O-N 2.83Å; N943-K945 VanDerWaalsContact C-N 3.3Å; N943-K945 PolarHBondContact O-N 2.79Å; K945-V947 PolarHBondContact O-N 3.11Å; K945-T948 PolarHBondContact O-N 3.12Å; K945-E949 WeakPolarHBondContact CG-OE1 3.46Å; K945-E949 WeakPolarHBondContact O-CG 3.49Å; K945-E949 PolarHBondContact O-N 3.29Å
946	W	93	Very high	93.1	Very high	14 Å²	14	47.7 Å²	47.7	5%	0.053	27%	0.265	C	S	.	.	H	α-helix	trans	-61.3	-45.4	179.8	-176.1	89.2	0	0	0	112.4	Y700 Y701 M704 F705 A942 N943 T948 E949 N950	Y700-W946 HydrophobicContact CD1-CH2 4.3Å; Y700-W946 HydrophobicContact CD1-CZ2 4.39Å; Y700-W946 HydrophobicContact CD1-CZ3 4.42Å; Y700-W946 AromaticContact CE1-CD2 3.62Å; Y700-W946 HydrophobicContact CE1-CD2 3.62Å; Y700-W946 AromaticContact CE1-CE2 3.82Å; Y700-W946 AromaticContact CE1-CE3 3.62Å; Y700-W946 HydrophobicContact CE1-CE3 3.62Å; Y700-W946 HydrophobicContact CE1-CG 4.2Å; Y700-W946 HydrophobicContact CE1-CH2 4.03Å; Y700-W946 HydrophobicContact CE1-CZ2 4.04Å; Y700-W946 AromaticContact CE1-CZ3 3.83Å; Y700-W946 HydrophobicContact CE1-CZ3 3.83Å; Y701-W946 AromaticContact CD1-CH2 3.77Å; Y701-W946 HydrophobicContact CD1-CH2 3.77Å; Y701-W946 HydrophobicContact CD1-CZ2 4.24Å; Y701-W946 HydrophobicContact CD2-CH2 4.31Å; Y701-W946 AromaticContact CE1-CH2 3.68Å; Y701-W946 HydrophobicContact CE1-CH2 3.68Å; Y701-W946 AromaticContact CE1-CZ2 3.68Å; Y701-W946 HydrophobicContact CE1-CZ2 3.68Å; Y701-W946 HydrophobicContact CE2-CH2 4.19Å; Y701-W946 AromaticContact CE2-CZ2 3.94Å; Y701-W946 HydrophobicContact CE2-CZ2 3.94Å; Y701-W946 HydrophobicContact CG-CH2 4.09Å; Y701-W946 AromaticContact CZ-CH2 3.9Å; Y701-W946 AromaticContact CZ-CZ2 3.51Å; M704-W946 HydrophobicContact CB-CZ3 4.02Å; M704-W946 HydrophobicContact CG-CE3 4.21Å; M704-W946 HydrophobicContact CG-CZ3 4.04Å; F705-W946 HydrophobicContact CE1-CZ3 4.47Å; F705-W946 AromaticContact CE2-CH2 3.59Å; F705-W946 HydrophobicContact CE2-CH2 3.59Å; F705-W946 AromaticContact CE2-CZ3 3.54Å; F705-W946 HydrophobicContact CE2-CZ3 3.54Å; F705-W946 HydrophobicContact CZ-CE3 4.49Å; F705-W946 AromaticContact CZ-CH2 3.9Å; F705-W946 HydrophobicContact CZ-CH2 3.9Å; F705-W946 AromaticContact CZ-CZ3 3.49Å; F705-W946 HydrophobicContact CZ-CZ3 3.49Å; F705-W946 VanDerWaalsContact CZ-CZ3 3.49Å; A942-W946 WeakPolarHBondContact O-CB 3.48Å; A942-W946 PolarHBondContact O-N 2.88Å; N943-W946 PolarHBondContact O-N 2.87Å; W946-T948 VanDerWaalsContact C-N 3.35Å; W946-T948 PolarHBondContact O-N 3.45Å; W946-E949 PolarHBondContact O-N 3.35Å; W946-N950 HydrophobicContact CD2-CB 4.37Å; W946-N950 HydrophobicContact CZ2-CB 4.16Å; W946-N950 PolarHBondContact NE1-ND2 2.93Å; W946-N950 WeakPolarHBondContact O-CB 3.38Å; W946-N950 PolarHBondContact O-N 2.79Å; W946-N950 PolarHBondContact O-ND2 3.28Å
947	V	95.4	Very high	93.5	Very high	21 Å²	21	48.3 Å²	48.3	13%	0.127	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-45.4	177	169.6	0	0	0	0	110.4	M704 F705 N943 K945 E949 N950 K951	M704-V947 HydrophobicContact CB-CG2 4.01Å; M704-V947 HydrophobicContact CG-CG2 4.28Å; M704-V947 HydrophobicContact SD-CG2 4.23Å; F705-V947 HydrophobicContact CE1-CG1 4.26Å; F705-V947 HydrophobicContact CE1-CG2 4.47Å; N943-V947 WeakPolarHBondContact O-CB 3.33Å; N943-V947 WeakPolarHBondContact O-CG2 3.34Å; N943-V947 PolarHBondContact O-N 3.05Å; K945-V947 PolarHBondContact O-N 3.11Å; V947-E949 VanDerWaalsContact C-N 3.29Å; V947-E949 PolarHBondContact O-N 3.44Å; V947-N950 PolarHBondContact O-N 2.98Å; V947-K951 HydrophobicContact CG1-CB 4.47Å; V947-K951 WeakPolarHBondContact O-CB 3.18Å; V947-K951 PolarHBondContact O-N 3.08Å
948	T	94.8	Very high	93.9	Very high	112 Å²	112	47.3 Å²	47.3	69%	0.687	26%	0.261	S	S	*	.	H	α-helix	trans	-59	-41.5	179.5	-58.4	0	0	0	0	111.9	I944 K945 W946	I944-T948 WeakPolarHBondContact O-CB 3.34Å; I944-T948 PolarHBondContact O-N 3.43Å; I944-T948 PolarHBondContact O-OG1 3.49Å; K945-T948 PolarHBondContact O-N 3.12Å; W946-T948 VanDerWaalsContact C-N 3.35Å; W946-T948 PolarHBondContact O-N 3.45Å
949	E	94.1	Very high	94.5	Very high	87 Å²	87	44.9 Å²	44.9	41%	0.407	25%	0.254	S	S	.	.	H	α-helix	trans	-79.1	-34.5	-177.1	-69.2	172	-177.6	0	0	113.4	K668 K945 W946 V947	K668-E949 WeakPolarHBondContact CE-OE2 3.41Å; K668-E949 IonicContact NZ-OE1 3.13Å; K668-E949 PolarHBondContact NZ-OE1 2.83Å; K668-E949 IonicContact NZ-OE2 2.71Å; K668-E949 PolarHBondContact NZ-OE2 2.98Å; K945-E949 WeakPolarHBondContact CG-OE1 3.46Å; K945-E949 WeakPolarHBondContact O-CG 3.49Å; K945-E949 PolarHBondContact O-N 3.29Å; W946-E949 PolarHBondContact O-N 3.35Å; V947-E949 VanDerWaalsContact C-N 3.29Å; V947-E949 PolarHBondContact O-N 3.44Å
950	N	96.2	Very high	95	Very high	20 Å²	20	45.4 Å²	45.4	11%	0.107	26%	0.257	C	S	.	.	H	α-helix	trans	-108.9	-15.8	-166.5	-66.1	-90.8	0	0	0	114.5	T672 W946 V947 A952 D953 V954	T672-N950 VanDerWaalsContact CB-OD1 3.28Å; T672-N950 WeakPolarHBondContact CB-OD1 3.07Å; T672-N950 HydrophobicContact CG2-CB 4.36Å; T672-N950 WeakPolarHBondContact CG2-OD1 3.49Å; W946-N950 HydrophobicContact CD2-CB 4.37Å; W946-N950 HydrophobicContact CZ2-CB 4.16Å; W946-N950 PolarHBondContact NE1-ND2 2.93Å; W946-N950 WeakPolarHBondContact O-CB 3.38Å; W946-N950 PolarHBondContact O-N 2.79Å; W946-N950 PolarHBondContact O-ND2 3.28Å; V947-N950 PolarHBondContact O-N 2.98Å; N950-A952 VanDerWaalsContact C-N 3.31Å; N950-A952 PolarHBondContact O-N 3.29Å; N950-D953 PolarHBondContact O-N 3.11Å; N950-V954 HydrophobicContact CB-CG2 4.22Å; N950-V954 WeakPolarHBondContact O-CB 3.38Å; N950-V954 WeakPolarHBondContact O-CG2 3.45Å; N950-V954 PolarHBondContact O-N 3.42Å
951	K	97.1	Very high	95.1	Very high	58 Å²	58	46.9 Å²	46.9	25%	0.252	26%	0.264	S	S	.	.	H	α-helix	trans	-55.1	-43.6	-172	-180	179	-178.1	-173	0	113.1	F705 E709 V710 V947 L955	F705-K951 HydrophobicContact CE1-CB 4.06Å; F705-K951 HydrophobicContact CE1-CG 4Å; F705-K951 HydrophobicContact CZ-CB 4.41Å; E709-K951 WeakPolarHBondContact OE1-CE 3.35Å; E709-K951 IonicContact OE1-NZ 3.94Å; E709-K951 PolarHBondContact OE1-NZ 3.45Å; E709-K951 WeakPolarHBondContact OE2-CE 3.41Å; E709-K951 IonicContact OE2-NZ 2.72Å; E709-K951 PolarHBondContact OE2-NZ 2.81Å; V710-K951 HydrophobicContact CG2-CG 3.87Å; V947-K951 HydrophobicContact CG1-CB 4.47Å; V947-K951 WeakPolarHBondContact O-CB 3.18Å; V947-K951 PolarHBondContact O-N 3.08Å; K951-L955 VanDerWaalsContact O-CB 3.26Å; K951-L955 WeakPolarHBondContact O-CB 3.39Å; K951-L955 PolarHBondContact O-N 2.85Å
952	A	97.6	Very high	94.8	Very high	73 Å²	73	45.9 Å²	45.9	60%	0.603	26%	0.258	S	S	*	.	H	α-helix	trans	-66.2	-49.3	-177.2	0	0	0	0	0	112.3	N950 V954 L955 S956	N950-A952 VanDerWaalsContact C-N 3.31Å; N950-A952 PolarHBondContact O-N 3.29Å; A952-V954 PolarHBondContact O-N 3.33Å; A952-L955 PolarHBondContact O-N 3.06Å; A952-S956 PolarHBondContact O-N 2.79Å
953	D	97.3	Very high	94	Very high	94 Å²	94	50.3 Å²	50.3	50%	0.503	28%	0.281	S	S	.	.	H	α-helix	trans	-64.9	-41.1	-179.9	-68.8	-13	0	0	0	111.7	T672 T673 N950 S956 W957	T672-D953 HydrophobicContact CG2-CB 4.36Å; T673-D953 HydrophobicContact CG2-CB 4.26Å; N950-D953 PolarHBondContact O-N 3.11Å; D953-S956 PolarHBondContact O-N 2.96Å; D953-W957 VanDerWaalsContact O-CB 3.29Å; D953-W957 WeakPolarHBondContact O-CB 3.3Å; D953-W957 PolarHBondContact O-N 3.01Å
954	V	97.8	Very high	92.1	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.3	-42.4	176.9	174.4	0	0	0	0	111	T672 L676 Y701 F705 V710 N950 A952 W957 F958	T672-V954 HydrophobicContact CG2-CG2 3.86Å; L676-V954 HydrophobicContact CD1-CG2 4.36Å; Y701-V954 HydrophobicContact CD1-CG1 4.15Å; Y701-V954 HydrophobicContact CD1-CG2 4.41Å; Y701-V954 HydrophobicContact CE1-CG1 4.42Å; Y701-V954 HydrophobicContact CE1-CG2 3.95Å; F705-V954 HydrophobicContact CD2-CG1 4.35Å; F705-V954 HydrophobicContact CE2-CB 4.32Å; F705-V954 HydrophobicContact CE2-CG1 3.8Å; F705-V954 HydrophobicContact CE2-CG2 4.48Å; F705-V954 HydrophobicContact CZ-CG1 4.45Å; V710-V954 HydrophobicContact CG1-CG1 3.9Å; N950-V954 HydrophobicContact CB-CG2 4.22Å; N950-V954 WeakPolarHBondContact O-CB 3.38Å; N950-V954 WeakPolarHBondContact O-CG2 3.45Å; N950-V954 PolarHBondContact O-N 3.42Å; A952-V954 PolarHBondContact O-N 3.33Å; V954-W957 PolarHBondContact O-N 2.81Å; V954-F958 HydrophobicContact CG1-CD2 3.56Å; V954-F958 HydrophobicContact CG1-CE2 3.36Å; V954-F958 VanDerWaalsContact O-CD2 3.25Å; V954-F958 WeakPolarHBondContact O-CD2 3.37Å; V954-F958 PolarHBondContact O-N 3.23Å
955	L	98.1	Very high	92	Very high	50 Å²	50	60.7 Å²	60.7	26%	0.262	33%	0.328	S	S	.	.	H	α-helix	trans	-62.2	-47.9	175.7	178.8	59.7	0	0	0	111.8	E709 V710 P713 K951 A952 W957 T959	E709-L955 HydrophobicContact CG-CD2 4.24Å; V710-L955 HydrophobicContact CG2-CB 4.1Å; V710-L955 HydrophobicContact CG2-CD1 4.28Å; P713-L955 HydrophobicContact CG-CD1 4.11Å; K951-L955 VanDerWaalsContact O-CB 3.26Å; K951-L955 WeakPolarHBondContact O-CB 3.39Å; K951-L955 PolarHBondContact O-N 2.85Å; A952-L955 PolarHBondContact O-N 3.06Å; L955-W957 VanDerWaalsContact C-N 3.34Å; L955-W957 PolarHBondContact O-N 2.63Å; L955-T959 WeakPolarHBondContact O-CB 3.3Å; L955-T959 PolarHBondContact O-OG1 3.25Å; L955-T959 PolarHBondContact O-N 3.32Å
956	S	97.9	Very high	92	Very high	58 Å²	58	60.9 Å²	60.9	41%	0.406	33%	0.333	S	S	.	.	H	α-helix	trans	-58.9	-48.8	178.2	-162.1	0	0	0	0	110.3	A952 D953 F958 T959 E960	A952-S956 PolarHBondContact O-N 2.79Å; D953-S956 PolarHBondContact O-N 2.96Å; S956-F958 PolarHBondContact O-N 3.14Å; S956-T959 PolarHBondContact O-N 3Å; S956-E960 WeakPolarHBondContact O-CG 3.29Å; S956-E960 PolarHBondContact O-N 3.22Å; S956-E960 PolarHBondContact OG-OE1 3.28Å
957	W	97.9	Very high	92	Very high	16 Å²	16	63.5 Å²	63.5	6%	0.061	35%	0.348	C	S	.	.	H	α-helix	trans	-59.2	-51.7	-178.3	-169.9	93.1	0	0	0	112.1	T673 L676 Q680 Y717 D953 V954 L955 T959 E960 Q961	T673-W957 HydrophobicContact CG2-CB 4.36Å; T673-W957 HydrophobicContact CG2-CG 4.45Å; L676-W957 HydrophobicContact CB-CD2 3.83Å; L676-W957 HydrophobicContact CB-CE3 3.98Å; L676-W957 HydrophobicContact CB-CH2 3.81Å; L676-W957 HydrophobicContact CB-CZ2 3.66Å; L676-W957 HydrophobicContact CB-CZ3 3.98Å; L676-W957 HydrophobicContact CD1-CB 4.28Å; L676-W957 HydrophobicContact CD1-CD2 3.82Å; L676-W957 HydrophobicContact CD1-CE3 3.79Å; L676-W957 HydrophobicContact CD1-CG 4.04Å; L676-W957 HydrophobicContact CD1-CZ3 4.43Å; L676-W957 HydrophobicContact CG-CD2 4.45Å; L676-W957 HydrophobicContact CG-CE3 4.36Å; L676-W957 WeakPolarHBondContact O-CH2 3.33Å; L676-W957 WeakPolarHBondContact O-CZ2 3.22Å; Q680-W957 HydrophobicContact CG-CH2 4.28Å; Q680-W957 HydrophobicContact CG-CZ2 3.96Å; Y717-W957 HydrophobicContact CD1-CZ3 4.19Å; Y717-W957 HydrophobicContact CD2-CH2 4.4Å; Y717-W957 HydrophobicContact CD2-CZ3 4.14Å; Y717-W957 HydrophobicContact CE1-CH2 4.07Å; Y717-W957 AromaticContact CE1-CZ3 3.97Å; Y717-W957 HydrophobicContact CE1-CZ3 3.97Å; Y717-W957 AromaticContact CE2-CH2 3.75Å; Y717-W957 HydrophobicContact CE2-CH2 3.75Å; Y717-W957 AromaticContact CE2-CZ3 3.94Å; Y717-W957 HydrophobicContact CE2-CZ3 3.94Å; Y717-W957 HydrophobicContact CG-CZ3 4.26Å; Y717-W957 AromaticContact CZ-CH2 3.56Å; Y717-W957 AromaticContact CZ-CZ3 3.86Å; D953-W957 VanDerWaalsContact O-CB 3.29Å; D953-W957 WeakPolarHBondContact O-CB 3.3Å; D953-W957 PolarHBondContact O-N 3.01Å; V954-W957 PolarHBondContact O-N 2.81Å; L955-W957 VanDerWaalsContact C-N 3.34Å; L955-W957 PolarHBondContact O-N 2.63Å; W957-T959 VanDerWaalsContact C-N 3.31Å; W957-T959 PolarHBondContact O-N 2.84Å; W957-E960 PolarHBondContact O-N 3.47Å; W957-Q961 HydrophobicContact CZ3-CG 3.7Å; W957-Q961 PolarHBondContact O-N 2.98Å; W957-Q961 WeakPolarHBondContact O-CG 3.41Å; W957-Q961 HydrophobicContact CZ3-CB 4.45Å; W957-Q961 HydrophobicContact CZ2-CG 3.79Å; W957-Q961 HydrophobicContact CH2-CG 3.72Å; W957-Q961 HydrophobicContact CE3-CG 3.8Å; W957-Q961 HydrophobicContact CD2-CG 3.9Å
958	F	97.9	Very high	91.8	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-65.1	-34.8	179.2	-74.5	-55.2	0	0	0	112.5	L676 V710 P713 L714 Y717 V954 S956 Q961 T962	L676-F958 HydrophobicContact CD1-CZ 4.45Å; L676-F958 HydrophobicContact CD2-CE1 4.29Å; L676-F958 HydrophobicContact CD2-CE2 4.49Å; L676-F958 HydrophobicContact CD2-CZ 3.76Å; V710-F958 HydrophobicContact CG1-CD2 4.25Å; P713-F958 HydrophobicContact CB-CB 3.68Å; L714-F958 HydrophobicContact CB-CD2 3.95Å; L714-F958 HydrophobicContact CB-CE2 3.95Å; L714-F958 HydrophobicContact CB-CG 4.3Å; L714-F958 HydrophobicContact CB-CZ 4.32Å; L714-F958 HydrophobicContact CD1-CE2 3.77Å; L714-F958 HydrophobicContact CD1-CZ 4.04Å; L714-F958 HydrophobicContact CG-CD2 4.41Å; L714-F958 HydrophobicContact CG-CE1 4.42Å; L714-F958 HydrophobicContact CG-CE2 3.9Å; L714-F958 HydrophobicContact CG-CZ 3.92Å; Y717-F958 AromaticContact CD1-CD1 3.81Å; Y717-F958 HydrophobicContact CD1-CD1 3.81Å; Y717-F958 AromaticContact CD1-CE1 3.47Å; Y717-F958 HydrophobicContact CD1-CE1 3.47Å; Y717-F958 VanDerWaalsContact CD1-CE1 3.47Å; Y717-F958 HydrophobicContact CE1-CE1 4.07Å; Y717-F958 AromaticContact CG-CD1 3.78Å; Y717-F958 HydrophobicContact CG-CD1 3.78Å; Y717-F958 AromaticContact CG-CE1 3.96Å; Y717-F958 HydrophobicContact CG-CE1 3.96Å; V954-F958 HydrophobicContact CG1-CD2 3.56Å; V954-F958 HydrophobicContact CG1-CE2 3.36Å; V954-F958 VanDerWaalsContact O-CD2 3.25Å; V954-F958 WeakPolarHBondContact O-CD2 3.37Å; V954-F958 PolarHBondContact O-N 3.23Å; S956-F958 PolarHBondContact O-N 3.14Å; F958-Q961 PolarHBondContact O-N 3.24Å; F958-T962 WeakPolarHBondContact O-CG2 3.31Å; F958-T962 PolarHBondContact O-N 3.48Å; F958-T962 PolarHBondContact O-OG1 2.81Å
959	T	96.6	Very high	91.6	Very high	59 Å²	59	63.1 Å²	63.1	36%	0.362	34%	0.341	S	S	.	.	H	α-helix	trans	-64.1	-44.3	175.2	-55.3	0	0	0	0	110.8	L955 S956 W957 Q961 T962 V963	L955-T959 WeakPolarHBondContact O-CB 3.3Å; L955-T959 PolarHBondContact O-OG1 3.25Å; L955-T959 PolarHBondContact O-N 3.32Å; S956-T959 PolarHBondContact O-N 3Å; W957-T959 VanDerWaalsContact C-N 3.31Å; W957-T959 PolarHBondContact O-N 2.84Å; T959-Q961 PolarHBondContact O-N 2.93Å; T959-T962 PolarHBondContact O-N 2.9Å; T959-T962 PolarHBondContact O-OG1 3.46Å; T959-V963 WeakPolarHBondContact O-CG2 3.34Å; T959-V963 PolarHBondContact O-N 3.16Å
960	E	95.8	Very high	91.4	Very high	101 Å²	101	61.5 Å²	61.5	47%	0.472	34%	0.337	S	S	.	.	H	α-helix	trans	-64.9	-35.9	177.5	-72	166.9	-147.2	0	0	113.2	S956 W957 T962	S956-E960 WeakPolarHBondContact O-CG 3.29Å; S956-E960 PolarHBondContact O-N 3.22Å; S956-E960 PolarHBondContact OG-OE1 3.28Å; W957-E960 PolarHBondContact O-N 3.47Å; E960-T962 VanDerWaalsContact C-N 3.31Å; E960-T962 PolarHBondContact O-N 3.42Å
961	Q	93.6	Very high	91.1	Very high	32 Å²	32	64.5 Å²	64.5	15%	0.15	35%	0.353	C	S	.	.	H	α-helix	trans	-76.2	-15.9	179.1	-63.5	-50.1	-65.9	0	0	114	Y717 W957 F958 T959	Y717-Q961 HydrophobicContact CD2-CB 3.69Å; Y717-Q961 HydrophobicContact CD2-CG 4.29Å; Y717-Q961 HydrophobicContact CE2-CB 4.13Å; Y717-Q961 HydrophobicContact CE2-CG 4.31Å; W957-Q961 HydrophobicContact CZ3-CG 3.7Å; W957-Q961 PolarHBondContact O-N 2.98Å; W957-Q961 WeakPolarHBondContact O-CG 3.41Å; W957-Q961 HydrophobicContact CZ3-CB 4.45Å; W957-Q961 HydrophobicContact CZ2-CG 3.79Å; W957-Q961 HydrophobicContact CH2-CG 3.72Å; W957-Q961 HydrophobicContact CE3-CG 3.8Å; W957-Q961 HydrophobicContact CD2-CG 3.9Å; F958-Q961 PolarHBondContact O-N 3.24Å; T959-Q961 PolarHBondContact O-N 2.93Å
962	T	84.1	Confident	90.6	Very high	47 Å²	47	65 Å²	65	29%	0.288	36%	0.361	S	S	.	.	H	α-helix	trans	-97.5	-19.7	-177.9	50	0	0	0	0	113.5	P713 A716 F958 T959 E960	P713-T962 WeakPolarHBondContact O-CG2 3.44Å; A716-T962 HydrophobicContact CB-CG2 3.55Å; F958-T962 WeakPolarHBondContact O-CG2 3.31Å; F958-T962 PolarHBondContact O-N 3.48Å; F958-T962 PolarHBondContact O-OG1 2.81Å; T959-T962 PolarHBondContact O-N 2.9Å; T959-T962 PolarHBondContact O-OG1 3.46Å; E960-T962 VanDerWaalsContact C-N 3.31Å; E960-T962 PolarHBondContact O-N 3.42Å
963	V	71.6	Confident	90	Very high	126 Å²	126	64.3 Å²	64.3	76%	0.764	34%	0.341	S	S	*	.	H	α-helix	trans	-82.9	-21	175	176.8	0	0	0	0	112.3	T959	T959-V963 WeakPolarHBondContact O-CG2 3.34Å; T959-V963 PolarHBondContact O-N 3.16Å
964	K	52	Low	89.4	Confident	189 Å²	189	61.6 Å²	61.6	82%	0.822	33%	0.326	S	S	*	.			trans	-93.4	0	172.6	-65.6	-179.8	-178.2	176.7	0	111.1	K720	K720-K964 PolarHBondContact NZ-OXT 3.39Å

Retrieved 964 of 964 residues in 239.7 ms (Link to these results)

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