A0A096NBG7_PAPAN Loading...

2-5A-dependent ribonuclease

AlphaFold DB , UniProt , Accession A0A096NBG7, Species PAPAN (Papio anubis, Olive baboon), Gene RNASEL, Length 741 aa.

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(Predicted Aligned Error values between residue pairs)

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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	33.5	Very low	33.7	Very low	248 Å²	248	171.4 Å²	171.4	100%	1.222	85%	0.847	S	S	*	*				0	119.9	0	-96.5	170.6	160.9	0	0	107.9
2	E	31.2	Very low	33.2	Very low	179 Å²	179	163 Å²	163	84%	0.836	84%	0.837	S	S	*	*			trans	-39.2	162.5	162.6	-66	169.8	155.1	0	0	113.5
3	T	34	Very low	33.4	Very low	106 Å²	106	160.4 Å²	160.4	65%	0.65	84%	0.837	S	S	*	*			cis	-174.8	160.3	-4.6	28.7	0	0	0	0	108.1
4	R	31	Very low	33.1	Very low	227 Å²	227	159.4 Å²	159.4	86%	0.857	84%	0.842	S	S	*	*			trans	84.3	127.4	139.5	-81.1	165.7	-171	-173	3.2	123.5
5	D	33.7	Very low	33.4	Very low	142 Å²	142	156.8 Å²	156.8	76%	0.759	84%	0.842	S	S	*	*			trans	-57.6	160.5	161.1	-58.6	-66.1	0	0	0	115.6
6	H	33.4	Very low	33.7	Very low	172 Å²	172	153.9 Å²	153.9	80%	0.796	84%	0.837	S	S	*	*				-172.7	121.4	122.6	-87.8	-37.9	0	0	0	114.1
7	N	31.7	Very low	34	Very low	154 Å²	154	151.6 Å²	151.6	82%	0.824	84%	0.835	S	S	*	*			trans	43.2	124.7	135.5	-69.2	-10.4	0	0	0	123.7
8	N	32.5	Very low	34.7	Very low	153 Å²	153	147.3 Å²	147.3	82%	0.818	83%	0.831	S	S	*	*			trans	-59.3	167.7	149.9	-118.9	-0.7	0	0	0	112
9	P	45.9	Very low	35.5	Very low	109 Å²	109	150.8 Å²	150.8	71%	0.708	83%	0.83	S	S	*	*				-155.3	164.8	50.9	38.4	-15.9	0	0	0	118.7
10	Q	31.8	Very low	36.3	Very low	190 Å²	190	155 Å²	155	89%	0.888	83%	0.833	S	S	*	*				162.5	143.2	122.8	-94.3	-173.4	-40	0	0	113.9
11	E	32.2	Very low	37.4	Very low	205 Å²	205	149.7 Å²	149.7	96%	0.958	81%	0.81	S	S	*	*			trans	-88	158.8	-165.8	-60.4	172.9	139.1	0	0	115.8
12	G	28	Very low	39.4	Very low	71 Å²	71	140.9 Å²	140.9	73%	0.732	77%	0.771	S	S	*	*			trans	129.7	150.1	141.8	0	0	0	0	0	116.3
13	P	35.6	Very low	41.5	Very low	129 Å²	129	137 Å²	137	84%	0.838	76%	0.759	S	S	*	*				-122.4	139.5	-52.1	34.9	-21.8	0	0	0	110.9
14	T	28.7	Very low	43.9	Very low	146 Å²	146	139.1 Å²	139.1	90%	0.896	76%	0.762	S	S	*	*			trans	-117.8	104.8	164.8	47.2	0	0	0	0	109.9	S16	T14-S16 PolarHBondContact O-N 3.15Å
15	S	37.6	Very low	46.5	Very low	121 Å²	121	130.2 Å²	130.2	85%	0.846	73%	0.731	S	S	*	*			trans	-71.7	107.1	164.1	55	0	0	0	0	110.3
16	S	39.3	Very low	49.2	Very low	110 Å²	110	124.3 Å²	124.3	77%	0.769	70%	0.699	S	S	*	*			trans	176.6	84	141.9	61.1	0	0	0	0	107.5	T14 G18	T14-S16 PolarHBondContact O-N 3.15Å; S16-G18 VanDerWaalsContact C-N 3.3Å; S16-G18 PolarHBondContact O-N 3.05Å
17	S	39	Very low	52.1	Low	115 Å²	115	120 Å²	120	80%	0.804	68%	0.679	S	S	*	*			trans	-74.6	89.1	171.2	64.4	0	0	0	0	108.8	R19	S17-R19 PolarHBondContact O-N 3.07Å
18	G	45.2	Very low	55.1	Low	74 Å²	74	116.6 Å²	116.6	76%	0.763	66%	0.661	S	S	*	*			trans	-62.3	92	151.8	0	0	0	0	0	107.2	S16 R20	S16-G18 VanDerWaalsContact C-N 3.3Å; S16-G18 PolarHBondContact O-N 3.05Å; G18-R20 PolarHBondContact O-N 3.49Å; G18-R20 VanDerWaalsContact O-N 3.08Å
19	R	51.4	Low	58.2	Low	215 Å²	215	109.3 Å²	109.3	81%	0.811	62%	0.622	S	S	*	*			trans	-66.1	109.1	177	-147.6	179	-169.3	-174.6	0.1	106	S17 A21	S17-R19 PolarHBondContact O-N 3.07Å; R19-A21 PolarHBondContact O-N 3.15Å
20	R	51	Low	60.6	Low	233 Å²	233	104.7 Å²	104.7	88%	0.879	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-62.5	119.1	171.2	-104.5	178.1	175.8	172.3	-1.6	107.3	G18 T22	G18-R20 PolarHBondContact O-N 3.49Å; G18-R20 VanDerWaalsContact O-N 3.08Å; R20-T22 PolarHBondContact O-N 2.63Å
21	A	58.3	Low	63.7	Low	44 Å²	44	101.7 Å²	101.7	36%	0.364	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-51.7	131.8	175.3	0	0	0	0	0	110.7	R19 G48	R19-A21 PolarHBondContact O-N 3.15Å; A21-G48 WeakPolarHBondContact CB-O 3.48Å
22	T	76.4	Confident	66.8	Low	63 Å²	63	92 Å²	92	39%	0.387	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-92.8	162.6	179.3	64.4	0	0	0	0	110.7	R20 E24 D25 N26	R20-T22 PolarHBondContact O-N 2.63Å; T22-E24 PolarHBondContact O-N 3.17Å; T22-D25 PolarHBondContact N-OD2 3.13Å; T22-D25 PolarHBondContact O-N 2.98Å; T22-D25 VanDerWaalsContact O-N 3.14Å; T22-D25 PolarHBondContact OG1-N 3.24Å; T22-D25 PolarHBondContact OG1-OD2 3.02Å; T22-N26 PolarHBondContact O-N 3.27Å
23	V	75.7	Confident	70.1	Confident	97 Å²	97	88.7 Å²	88.7	59%	0.588	50%	0.495	S	S	*	.	H	α-helix	trans	-60.4	-28.1	172.1	176.7	0	0	0	0	111.1	N26 H27	V23-N26 PolarHBondContact O-N 3.46Å; V23-H27 PolarHBondContact O-N 2.83Å; V23-H27 PolarHBondContact O-ND1 3.28Å
24	E	84.2	Confident	72.9	Confident	152 Å²	152	87.2 Å²	87.2	71%	0.71	48%	0.477	S	S	*	.	H	α-helix	trans	-66.5	-41.5	174.6	-64.2	177.8	179.1	0	0	111.7	T22 N26 H27 L28	T22-E24 PolarHBondContact O-N 3.17Å; E24-N26 VanDerWaalsContact C-N 3.26Å; E24-N26 PolarHBondContact O-N 3.05Å; E24-H27 PolarHBondContact O-N 3.09Å; E24-L28 WeakPolarHBondContact O-CB 3.42Å; E24-L28 WeakPolarHBondContact O-CG 3.5Å; E24-L28 PolarHBondContact O-N 2.84Å
25	D	84.3	Confident	76.1	Confident	39 Å²	39	84.5 Å²	84.5	21%	0.209	46%	0.461	C	S	.	.	H	α-helix	trans	-62.2	-33.8	177.1	-59.5	-44.9	0	0	0	112.1	T22 L28 L29	T22-D25 PolarHBondContact N-OD2 3.13Å; T22-D25 PolarHBondContact O-N 2.98Å; T22-D25 VanDerWaalsContact O-N 3.14Å; T22-D25 PolarHBondContact OG1-N 3.24Å; T22-D25 PolarHBondContact OG1-OD2 3.02Å; D25-L28 PolarHBondContact O-N 2.91Å; D25-L29 PolarHBondContact O-N 2.74Å
26	N	91.7	Very high	78.9	Confident	18 Å²	18	83.1 Å²	83.1	10%	0.096	44%	0.441	C	S	.	.	H	α-helix	trans	-70.6	-39.1	177.8	-63.1	-25.5	0	0	0	112.8	T22 V23 E24 L29 I30 N50 F53	T22-N26 PolarHBondContact O-N 3.27Å; V23-N26 PolarHBondContact O-N 3.46Å; E24-N26 VanDerWaalsContact C-N 3.26Å; E24-N26 PolarHBondContact O-N 3.05Å; N26-L29 PolarHBondContact O-N 2.9Å; N26-I30 PolarHBondContact O-N 3.24Å; N26-N50 WeakPolarHBondContact OD1-CB 3.41Å; N26-N50 PolarHBondContact OD1-N 3.38Å; N26-F53 HydrophobicContact CB-CB 3.88Å; N26-F53 HydrophobicContact CB-CD1 3.73Å; N26-F53 HydrophobicContact CB-CD2 3.72Å; N26-F53 HydrophobicContact CB-CE1 4.21Å; N26-F53 HydrophobicContact CB-CE2 4.19Å; N26-F53 HydrophobicContact CB-CG 3.49Å; N26-F53 VanDerWaalsContact CB-CG 3.49Å; N26-F53 HydrophobicContact CB-CZ 4.44Å
27	H	93.1	Very high	81.6	Confident	82 Å²	82	81.1 Å²	81.1	38%	0.38	42%	0.421	S	S	.	.	H	α-helix	trans	-70	-36.4	173.5	-72.3	86.5	0	0	0	111.3	V23 E24 L29 I30 K31 F53	V23-H27 PolarHBondContact O-N 2.83Å; V23-H27 PolarHBondContact O-ND1 3.28Å; E24-H27 PolarHBondContact O-N 3.09Å; H27-L29 VanDerWaalsContact C-N 3.29Å; H27-L29 PolarHBondContact O-N 3.07Å; H27-I30 PolarHBondContact O-N 2.87Å; H27-K31 PolarHBondContact O-N 2.85Å; H27-F53 AromaticContact CE1-CE1 3.83Å; H27-F53 AromaticContact CE1-CZ 3.31Å; H27-F53 WeakPolarHBondContact CE1-CZ 3.17Å; H27-F53 AromaticContact ND1-CE1 3.95Å; H27-F53 AromaticContact ND1-CZ 3.75Å; H27-F53 AromaticContact NE2-CE1 3.86Å; H27-F53 AromaticContact NE2-CZ 3.61Å
28	L	95.6	Very high	84.3	Confident	83 Å²	83	78.4 Å²	78.4	44%	0.435	40%	0.4	S	S	.	.	H	α-helix	trans	-61.9	-37.1	173.2	-76.3	171.2	0	0	0	111.8	E24 D25 K31 A32 L44	E24-L28 WeakPolarHBondContact O-CB 3.42Å; E24-L28 WeakPolarHBondContact O-CG 3.5Å; E24-L28 PolarHBondContact O-N 2.84Å; D25-L28 PolarHBondContact O-N 2.91Å; L28-K31 PolarHBondContact O-N 3.33Å; L28-A32 WeakPolarHBondContact O-CB 3.42Å; L28-A32 PolarHBondContact O-N 3.42Å; L28-L44 HydrophobicContact CB-CD1 4.11Å; L28-L44 HydrophobicContact CB-CD2 4.49Å
29	L	97.3	Very high	86.6	Confident	0 Å²	0	81 Å²	81	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-62.5	-46.8	174.9	178.5	62.2	0	0	0	111.8	D25 N26 H27 K31 A32 V33 V41 L44 L45 A49 P62	D25-L29 PolarHBondContact O-N 2.74Å; N26-L29 PolarHBondContact O-N 2.9Å; H27-L29 VanDerWaalsContact C-N 3.29Å; H27-L29 PolarHBondContact O-N 3.07Å; L29-K31 VanDerWaalsContact C-N 3.3Å; L29-K31 PolarHBondContact O-N 3.09Å; L29-A32 PolarHBondContact O-N 3.3Å; L29-V33 WeakPolarHBondContact O-CG2 3.27Å; L29-V33 PolarHBondContact O-N 3.28Å; L29-V41 HydrophobicContact CD1-CB 4.48Å; L29-V41 HydrophobicContact CD1-CG1 4.01Å; L29-L44 HydrophobicContact CB-CD1 4.31Å; L29-L44 HydrophobicContact CD1-CB 4.15Å; L29-L45 HydrophobicContact CD1-CD2 4.15Å; L29-L45 HydrophobicContact CD1-CG 4.09Å; L29-L45 HydrophobicContact CD2-CD2 3.76Å; L29-A49 HydrophobicContact CB-CB 4.32Å; L29-A49 HydrophobicContact CD2-CB 4Å; L29-P62 HydrophobicContact CD2-CB 4.27Å; L29-P62 HydrophobicContact CD2-CG 3.68Å; L29-P62 HydrophobicContact CG-CB 4.2Å; L29-P62 HydrophobicContact CG-CG 3.82Å
30	I	96.6	Very high	88.8	Confident	11 Å²	11	73.5 Å²	73.5	6%	0.056	37%	0.372	C	S	.	.	H	α-helix	trans	-58.6	-45.1	174.5	-70.7	-178	0	0	0	110.4	N26 H27 A32 V33 Q34 F53 E55 P62	N26-I30 PolarHBondContact O-N 3.24Å; H27-I30 PolarHBondContact O-N 2.87Å; I30-A32 PolarHBondContact O-N 2.96Å; I30-V33 PolarHBondContact O-N 2.7Å; I30-Q34 HydrophobicContact CG2-CG 4.41Å; I30-Q34 WeakPolarHBondContact O-CG 3.13Å; I30-Q34 PolarHBondContact O-N 2.89Å; I30-F53 HydrophobicContact CD1-CD1 3.58Å; I30-F53 HydrophobicContact CD1-CE1 3.86Å; I30-F53 HydrophobicContact CG1-CD1 4.25Å; I30-E55 HydrophobicContact CD1-CB 4.07Å; I30-E55 HydrophobicContact CD1-CG 4.28Å; I30-P62 HydrophobicContact CG1-CG 3.88Å
31	K	96.4	Very high	91	Very high	128 Å²	128	62.4 Å²	62.4	56%	0.557	33%	0.33	S	S	*	.	H	α-helix	trans	-63.6	-42.3	179.9	-171.4	176.1	-178.6	179.6	0	112.3	H27 L28 L29 V33 Q34 T35	H27-K31 PolarHBondContact O-N 2.85Å; L28-K31 PolarHBondContact O-N 3.33Å; L29-K31 VanDerWaalsContact C-N 3.3Å; L29-K31 PolarHBondContact O-N 3.09Å; K31-V33 VanDerWaalsContact C-N 3.31Å; K31-V33 PolarHBondContact O-N 3.48Å; K31-Q34 PolarHBondContact O-N 3.34Å; K31-T35 PolarHBondContact O-N 3.09Å; K31-T35 PolarHBondContact O-OG1 2.97Å; K31-T35 VanDerWaalsContact O-OG1 3.13Å
32	A	97.3	Very high	92.8	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.008	33%	0.33	C	S	.	.	H	α-helix	trans	-61.8	-40.3	177.8	0	0	0	0	0	111.5	L28 L29 I30 T35 E36 D37 L40 V41 L44	L28-A32 WeakPolarHBondContact O-CB 3.42Å; L28-A32 PolarHBondContact O-N 3.42Å; L29-A32 PolarHBondContact O-N 3.3Å; I30-A32 PolarHBondContact O-N 2.96Å; A32-T35 PolarHBondContact O-N 2.9Å; A32-T35 PolarHBondContact O-OG1 3.25Å; A32-T35 VanDerWaalsContact O-OG1 3.08Å; A32-E36 PolarHBondContact O-N 2.77Å; A32-E36 VanDerWaalsContact O-N 3.16Å; A32-D37 PolarHBondContact O-N 2.91Å; A32-L40 HydrophobicContact CB-CB 4.2Å; A32-L40 HydrophobicContact CB-CD2 3.71Å; A32-L40 HydrophobicContact CB-CG 3.77Å; A32-V41 HydrophobicContact CB-CG2 3.7Å; A32-L44 HydrophobicContact CB-CD1 4.03Å
33	V	97.8	Very high	93.7	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.006	34%	0.341	C	S	.	.	H	α-helix	trans	-63	-45.9	172.5	171.4	0	0	0	0	111.3	L29 I30 K31 T35 E36 V41 P62 N65 A66 I74 L78	L29-V33 WeakPolarHBondContact O-CG2 3.27Å; L29-V33 PolarHBondContact O-N 3.28Å; I30-V33 PolarHBondContact O-N 2.7Å; K31-V33 VanDerWaalsContact C-N 3.31Å; K31-V33 PolarHBondContact O-N 3.48Å; V33-T35 PolarHBondContact O-N 2.63Å; V33-E36 PolarHBondContact O-N 2.87Å; V33-V41 HydrophobicContact CB-CG2 4.45Å; V33-V41 HydrophobicContact CG2-CG1 4.34Å; V33-V41 HydrophobicContact CG2-CG2 3.68Å; V33-P62 HydrophobicContact CG2-CB 4.14Å; V33-N65 HydrophobicContact CG1-CB 3.8Å; V33-A66 HydrophobicContact CG1-CB 3.75Å; V33-I74 HydrophobicContact CG1-CG2 4.1Å; V33-I74 HydrophobicContact CG2-CG2 3.95Å; V33-L78 HydrophobicContact CG2-CD1 4.22Å
34	Q	94.9	Very high	94.7	Very high	99 Å²	99	63.9 Å²	63.9	46%	0.463	32%	0.319	S	S	.	.	H	α-helix	trans	-63.2	-28.4	179.1	-72.6	173.2	-14.3	0	0	113.1	I30 K31 E36 N65	I30-Q34 HydrophobicContact CG2-CG 4.41Å; I30-Q34 WeakPolarHBondContact O-CG 3.13Å; I30-Q34 PolarHBondContact O-N 2.89Å; K31-Q34 PolarHBondContact O-N 3.34Å; Q34-E36 VanDerWaalsContact C-N 3.35Å; Q34-N65 HydrophobicContact CG-CB 4.25Å; Q34-N65 WeakPolarHBondContact CG-OD1 3.06Å; Q34-N65 PolarHBondContact NE2-OD1 2.89Å
35	T	95.9	Very high	95.2	Very high	89 Å²	89	57.1 Å²	57.1	55%	0.546	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	3	174.5	56.7	0	0	0	0	113.6	K31 A32 V33 D37	K31-T35 PolarHBondContact O-N 3.09Å; K31-T35 PolarHBondContact O-OG1 2.97Å; K31-T35 VanDerWaalsContact O-OG1 3.13Å; A32-T35 PolarHBondContact O-N 2.9Å; A32-T35 PolarHBondContact O-OG1 3.25Å; A32-T35 VanDerWaalsContact O-OG1 3.08Å; V33-T35 PolarHBondContact O-N 2.63Å; T35-D37 PolarHBondContact O-N 3.2Å
36	E	95.3	Very high	95.7	Very high	92 Å²	92	61 Å²	61	43%	0.43	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	30.5	-177.4	-57.7	-178.2	-155.8	0	0	114.2	A32 V33 Q34 V38 M69 I74	A32-E36 PolarHBondContact O-N 2.77Å; A32-E36 VanDerWaalsContact O-N 3.16Å; V33-E36 PolarHBondContact O-N 2.87Å; Q34-E36 VanDerWaalsContact C-N 3.35Å; E36-V38 PolarHBondContact O-N 3.42Å; E36-V38 VanDerWaalsContact O-N 3.14Å; E36-M69 WeakPolarHBondContact OE1-CE 3.47Å; E36-I74 HydrophobicContact CB-CD1 4.35Å
37	D	95.8	Very high	95.7	Very high	67 Å²	67	62.5 Å²	62.5	36%	0.358	33%	0.325	S	S	.	.			trans	-85.9	85.8	-179.7	-170	-23.4	0	0	0	110.1	A32 T35 D39 L40 V41	A32-D37 PolarHBondContact O-N 2.91Å; T35-D37 PolarHBondContact O-N 3.2Å; D37-D39 VanDerWaalsContact C-N 3.31Å; D37-D39 PolarHBondContact O-N 3.12Å; D37-D39 PolarHBondContact OD1-N 3.2Å; D37-L40 HydrophobicContact CB-CB 3.94Å; D37-L40 PolarHBondContact O-N 3.09Å; D37-L40 WeakPolarHBondContact OD1-CB 3.06Å; D37-L40 PolarHBondContact OD1-N 3.47Å; D37-L40 WeakPolarHBondContact OD2-CB 3.14Å; D37-V41 VanDerWaalsContact O-CG2 3.26Å; D37-V41 WeakPolarHBondContact O-CG2 3.48Å; D37-V41 PolarHBondContact O-N 3.42Å
38	V	95.4	Very high	95.6	Very high	58 Å²	58	61 Å²	61	35%	0.352	33%	0.331	S	S	.	.	H	α-helix	trans	-59	-40.7	-174.9	-176.1	0	0	0	0	112.1	E36 V41 Q42 I74 L77	E36-V38 PolarHBondContact O-N 3.42Å; E36-V38 VanDerWaalsContact O-N 3.14Å; V38-V41 PolarHBondContact O-N 2.74Å; V38-Q42 WeakPolarHBondContact O-CB 3.29Å; V38-Q42 PolarHBondContact O-N 3.34Å; V38-I74 HydrophobicContact CG2-CD1 4.12Å; V38-I74 HydrophobicContact CG2-CG1 3.91Å; V38-L77 HydrophobicContact CG1-CD2 4.24Å
39	D	95	Very high	95.6	Very high	128 Å²	128	57.5 Å²	57.5	68%	0.684	32%	0.315	S	S	*	.	H	α-helix	trans	-65.8	-44.3	-179.6	-69.4	-38.8	0	0	0	110.7	D37 Q42 Q43	D37-D39 VanDerWaalsContact C-N 3.31Å; D37-D39 PolarHBondContact O-N 3.12Å; D37-D39 PolarHBondContact OD1-N 3.2Å; D39-Q42 PolarHBondContact O-N 3.1Å; D39-Q43 WeakPolarHBondContact O-CB 3.37Å; D39-Q43 PolarHBondContact O-N 2.66Å
40	L	95.9	Very high	95.5	Very high	58 Å²	58	61.3 Å²	61.3	30%	0.304	34%	0.335	S	S	.	.	H	α-helix	trans	-67.1	-39.6	176.5	-177.4	59.7	0	0	0	112	A32 D37 Q43 L44	A32-L40 HydrophobicContact CB-CB 4.2Å; A32-L40 HydrophobicContact CB-CD2 3.71Å; A32-L40 HydrophobicContact CB-CG 3.77Å; D37-L40 HydrophobicContact CB-CB 3.94Å; D37-L40 PolarHBondContact O-N 3.09Å; D37-L40 WeakPolarHBondContact OD1-CB 3.06Å; D37-L40 PolarHBondContact OD1-N 3.47Å; D37-L40 WeakPolarHBondContact OD2-CB 3.14Å; L40-Q43 PolarHBondContact O-N 3.47Å; L40-L44 HydrophobicContact CD1-CD1 4.06Å; L40-L44 HydrophobicContact CD1-CG 4.1Å; L40-L44 HydrophobicContact CG-CD1 3.9Å; L40-L44 HydrophobicContact CG-CG 4.39Å; L40-L44 WeakPolarHBondContact O-CB 3.27Å; L40-L44 WeakPolarHBondContact O-CG 3.3Å; L40-L44 PolarHBondContact O-N 3.31Å
41	V	97.4	Very high	95.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-58.7	-48.9	173.6	170.4	0	0	0	0	110.1	L29 A32 V33 D37 V38 L44 L45 I74 L77 L78	L29-V41 HydrophobicContact CD1-CB 4.48Å; L29-V41 HydrophobicContact CD1-CG1 4.01Å; A32-V41 HydrophobicContact CB-CG2 3.7Å; V33-V41 HydrophobicContact CB-CG2 4.45Å; V33-V41 HydrophobicContact CG2-CG1 4.34Å; V33-V41 HydrophobicContact CG2-CG2 3.68Å; D37-V41 VanDerWaalsContact O-CG2 3.26Å; D37-V41 WeakPolarHBondContact O-CG2 3.48Å; D37-V41 PolarHBondContact O-N 3.42Å; V38-V41 PolarHBondContact O-N 2.74Å; V41-L44 PolarHBondContact O-N 2.94Å; V41-L45 HydrophobicContact CG1-CD1 3.82Å; V41-L45 HydrophobicContact CG1-CG 4.46Å; V41-L45 VanDerWaalsContact O-CG 3.25Å; V41-L45 WeakPolarHBondContact O-CG 3.44Å; V41-L45 PolarHBondContact O-N 3.09Å; V41-I74 HydrophobicContact CG1-CG2 4.48Å; V41-L77 HydrophobicContact CB-CD2 4.4Å; V41-L77 HydrophobicContact CG1-CD2 3.8Å; V41-L78 HydrophobicContact CG1-CD2 4.31Å
42	Q	96.5	Very high	95.6	Very high	76 Å²	76	57.4 Å²	57.4	36%	0.355	32%	0.321	S	S	.	.	H	α-helix	trans	-61	-47	178.1	-177.5	171.9	-12.5	0	0	111.6	V38 D39 L44 L45 E46 L77	V38-Q42 WeakPolarHBondContact O-CB 3.29Å; V38-Q42 PolarHBondContact O-N 3.34Å; D39-Q42 PolarHBondContact O-N 3.1Å; Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 3Å; Q42-L45 PolarHBondContact O-N 3.49Å; Q42-E46 HydrophobicContact CG-CG 4.38Å; Q42-E46 VanDerWaalsContact CG-OE1 3.32Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.42Å; Q42-E46 PolarHBondContact NE2-OE1 3.3Å; Q42-E46 WeakPolarHBondContact O-CB 3.49Å; Q42-E46 WeakPolarHBondContact O-CG 3.41Å; Q42-E46 PolarHBondContact O-N 3.26Å; Q42-L77 HydrophobicContact CB-CD2 4.15Å
43	Q	95.8	Very high	95.6	Very high	135 Å²	135	58.6 Å²	58.6	63%	0.631	33%	0.326	S	S	*	.	H	α-helix	trans	-59.3	-41.7	178.7	-174.9	-176	-8.1	0	0	112.2	D39 L40 G47	D39-Q43 WeakPolarHBondContact O-CB 3.37Å; D39-Q43 PolarHBondContact O-N 2.66Å; L40-Q43 PolarHBondContact O-N 3.47Å; Q43-G47 PolarHBondContact O-N 3.01Å
44	L	95.9	Very high	95.6	Very high	24 Å²	24	62.3 Å²	62.3	13%	0.126	34%	0.343	C	S	.	.	H	α-helix	trans	-69.3	-39.2	179.6	-71.7	169.9	0	0	0	111.9	L28 L29 A32 L40 V41 Q42 G47 G48 A49	L28-L44 HydrophobicContact CB-CD1 4.11Å; L28-L44 HydrophobicContact CB-CD2 4.49Å; L29-L44 HydrophobicContact CB-CD1 4.31Å; L29-L44 HydrophobicContact CD1-CB 4.15Å; A32-L44 HydrophobicContact CB-CD1 4.03Å; L40-L44 HydrophobicContact CD1-CD1 4.06Å; L40-L44 HydrophobicContact CD1-CG 4.1Å; L40-L44 HydrophobicContact CG-CD1 3.9Å; L40-L44 HydrophobicContact CG-CG 4.39Å; L40-L44 WeakPolarHBondContact O-CB 3.27Å; L40-L44 WeakPolarHBondContact O-CG 3.3Å; L40-L44 PolarHBondContact O-N 3.31Å; V41-L44 PolarHBondContact O-N 2.94Å; Q42-L44 VanDerWaalsContact C-N 3.32Å; Q42-L44 PolarHBondContact O-N 3Å; L44-G47 CarbonylContact O-C 3.59Å; L44-G47 PolarHBondContact O-N 3.06Å; L44-G48 PolarHBondContact O-N 3.18Å; L44-A49 HydrophobicContact CB-CB 4.23Å; L44-A49 WeakPolarHBondContact O-CB 3.48Å; L44-A49 PolarHBondContact O-N 3.27Å
45	L	95.6	Very high	95.6	Very high	10 Å²	10	59.2 Å²	59.2	5%	0.052	33%	0.329	C	S	.	.	H	α-helix	trans	-66.5	-45.5	175.8	-68	168.6	0	0	0	111.9	L29 V41 Q42 G47 G48 V51 L77 L78 Y81	L29-L45 HydrophobicContact CD1-CD2 4.15Å; L29-L45 HydrophobicContact CD1-CG 4.09Å; L29-L45 HydrophobicContact CD2-CD2 3.76Å; V41-L45 HydrophobicContact CG1-CD1 3.82Å; V41-L45 HydrophobicContact CG1-CG 4.46Å; V41-L45 VanDerWaalsContact O-CG 3.25Å; V41-L45 WeakPolarHBondContact O-CG 3.44Å; V41-L45 PolarHBondContact O-N 3.09Å; Q42-L45 PolarHBondContact O-N 3.49Å; L45-G47 PolarHBondContact O-N 3.39Å; L45-G48 PolarHBondContact O-N 3.38Å; L45-V51 HydrophobicContact CD2-CB 3.9Å; L45-V51 HydrophobicContact CD2-CG2 3.82Å; L45-L77 HydrophobicContact CD1-CD2 4.48Å; L45-L77 HydrophobicContact CD1-CG 4.14Å; L45-L78 HydrophobicContact CD1-CD2 3.95Å; L45-L78 HydrophobicContact CD2-CD2 4.2Å; L45-Y81 HydrophobicContact CB-CD1 3.82Å; L45-Y81 HydrophobicContact CB-CD2 4.19Å; L45-Y81 HydrophobicContact CB-CE1 3.97Å; L45-Y81 HydrophobicContact CB-CE2 4.33Å; L45-Y81 HydrophobicContact CB-CG 3.94Å; L45-Y81 HydrophobicContact CD1-CD2 3.77Å; L45-Y81 HydrophobicContact CD1-CE2 4.3Å; L45-Y81 HydrophobicContact CD1-CG 4Å; L45-Y81 HydrophobicContact CD2-CG 4.48Å; L45-Y81 HydrophobicContact CG-CG 4.36Å
46	E	95.1	Very high	95.4	Very high	120 Å²	120	62.8 Å²	62.8	56%	0.561	34%	0.339	S	S	*	.	H	α-helix	trans	-61.3	-31.5	173.2	-71.2	176.4	-173.1	0	0	111.9	Q42 G48 Y81	Q42-E46 HydrophobicContact CG-CG 4.38Å; Q42-E46 VanDerWaalsContact CG-OE1 3.32Å; Q42-E46 WeakPolarHBondContact CG-OE1 3.42Å; Q42-E46 PolarHBondContact NE2-OE1 3.3Å; Q42-E46 WeakPolarHBondContact O-CB 3.49Å; Q42-E46 WeakPolarHBondContact O-CG 3.41Å; Q42-E46 PolarHBondContact O-N 3.26Å; E46-G48 PolarHBondContact O-N 2.71Å; E46-Y81 HydrophobicContact CG-CE1 4.41Å; E46-Y81 WeakPolarHBondContact CG-OH 3.49Å
47	G	91.8	Very high	95.3	Very high	51 Å²	51	66.7 Å²	66.7	53%	0.526	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-3	172.9	0	0	0	0	0	115	Q43 L44 L45	Q43-G47 PolarHBondContact O-N 3.01Å; L44-G47 CarbonylContact O-C 3.59Å; L44-G47 PolarHBondContact O-N 3.06Å; L45-G47 PolarHBondContact O-N 3.39Å
48	G	91.5	Very high	95.3	Very high	49 Å²	49	64.5 Å²	64.5	51%	0.505	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	18.5	177.5	0	0	0	0	0	114.9	A21 L44 L45 E46	A21-G48 WeakPolarHBondContact CB-O 3.48Å; L44-G48 PolarHBondContact O-N 3.18Å; L45-G48 PolarHBondContact O-N 3.38Å; E46-G48 PolarHBondContact O-N 2.71Å
49	A	94.2	Very high	95.4	Very high	11 Å²	11	61.8 Å²	61.8	9%	0.091	33%	0.334	C	S	.	.			trans	-56.8	142.5	171.1	0	0	0	0	0	110.7	L29 L44 V51	L29-A49 HydrophobicContact CB-CB 4.32Å; L29-A49 HydrophobicContact CD2-CB 4Å; L44-A49 HydrophobicContact CB-CB 4.23Å; L44-A49 WeakPolarHBondContact O-CB 3.48Å; L44-A49 PolarHBondContact O-N 3.27Å; A49-V51 PolarHBondContact O-N 3.17Å
50	N	96.1	Very high	95.5	Very high	79 Å²	79	58.5 Å²	58.5	42%	0.422	31%	0.313	S	S	.	.			trans	-73.6	103.4	-179.6	179.2	8.6	0	0	0	110.3	N26 N52 F53	N26-N50 WeakPolarHBondContact OD1-CB 3.41Å; N26-N50 PolarHBondContact OD1-N 3.38Å; N50-N52 PolarHBondContact O-N 2.9Å; N50-N52 VanDerWaalsContact O-N 3.15Å; N50-N52 PolarHBondContact OD1-N 2.71Å; N50-F53 HydrophobicContact CB-CB 4.22Å; N50-F53 VanDerWaalsContact O-CB 3.23Å; N50-F53 WeakPolarHBondContact O-CB 3.37Å; N50-F53 PolarHBondContact O-N 2.76Å; N50-F53 PolarHBondContact OD1-N 2.79Å
51	V	97.3	Very high	95.6	Very high	12 Å²	12	55.9 Å²	55.9	7%	0.073	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.2	178.4	73.8	0	0	0	0	113.6	L45 A49 P62 L78 Y81 A83	L45-V51 HydrophobicContact CD2-CB 3.9Å; L45-V51 HydrophobicContact CD2-CG2 3.82Å; A49-V51 PolarHBondContact O-N 3.17Å; V51-P62 WeakPolarHBondContact O-CD 3.37Å; V51-P62 WeakPolarHBondContact O-CG 3.34Å; V51-L78 HydrophobicContact CG2-CB 4.31Å; V51-L78 HydrophobicContact CG2-CD2 3.81Å; V51-Y81 WeakPolarHBondContact CG1-O 3.34Å; V51-A83 HydrophobicContact CG2-CB 3.67Å
52	N	97.9	Very high	95.7	Very high	46 Å²	46	55.9 Å²	55.9	25%	0.246	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	17.5	-178.8	-69.6	-45.4	0	0	0	112.2	N50 Q54 D82 A83 D84 L87	N50-N52 PolarHBondContact O-N 2.9Å; N50-N52 VanDerWaalsContact O-N 3.15Å; N50-N52 PolarHBondContact OD1-N 2.71Å; N52-Q54 PolarHBondContact O-N 3.16Å; N52-D82 PolarHBondContact ND2-O 2.97Å; N52-D82 VanDerWaalsContact ND2-O 3.11Å; N52-A83 WeakPolarHBondContact OD1-CA 3.49Å; N52-D84 PolarHBondContact OD1-N 3.33Å; N52-L87 HydrophobicContact CB-CD2 4.18Å
53	F	97.1	Very high	95.8	Very high	26 Å²	26	52.2 Å²	52.2	11%	0.114	28%	0.282	C	S	.	.			trans	-56.6	134.8	174	175.9	-110	0	0	0	110.7	N26 H27 I30 N50 E55 T61 P62	N26-F53 HydrophobicContact CB-CB 3.88Å; N26-F53 HydrophobicContact CB-CD1 3.73Å; N26-F53 HydrophobicContact CB-CD2 3.72Å; N26-F53 HydrophobicContact CB-CE1 4.21Å; N26-F53 HydrophobicContact CB-CE2 4.19Å; N26-F53 HydrophobicContact CB-CG 3.49Å; N26-F53 VanDerWaalsContact CB-CG 3.49Å; N26-F53 HydrophobicContact CB-CZ 4.44Å; H27-F53 AromaticContact CE1-CE1 3.83Å; H27-F53 AromaticContact CE1-CZ 3.31Å; H27-F53 WeakPolarHBondContact CE1-CZ 3.17Å; H27-F53 AromaticContact ND1-CE1 3.95Å; H27-F53 AromaticContact ND1-CZ 3.75Å; H27-F53 AromaticContact NE2-CE1 3.86Å; H27-F53 AromaticContact NE2-CZ 3.61Å; I30-F53 HydrophobicContact CD1-CD1 3.58Å; I30-F53 HydrophobicContact CD1-CE1 3.86Å; I30-F53 HydrophobicContact CG1-CD1 4.25Å; N50-F53 HydrophobicContact CB-CB 4.22Å; N50-F53 VanDerWaalsContact O-CB 3.23Å; N50-F53 WeakPolarHBondContact O-CB 3.37Å; N50-F53 PolarHBondContact O-N 2.76Å; N50-F53 PolarHBondContact OD1-N 2.79Å; F53-E55 HydrophobicContact CE1-CB 4.16Å; F53-T61 VanDerWaalsContact O-CA 3.26Å; F53-T61 WeakPolarHBondContact O-CA 3.45Å; F53-P62 WeakPolarHBondContact O-CD 3.26Å
54	Q	97.3	Very high	95.9	Very high	79 Å²	79	45.8 Å²	45.8	37%	0.369	25%	0.252	S	S	.	.			trans	-113.2	122.1	174.7	-68.7	-168.9	-84.6	0	0	108.7	N52 G59 W60 T61 L87 R88	N52-Q54 PolarHBondContact O-N 3.16Å; Q54-G59 PolarHBondContact NE2-O 3.29Å; Q54-W60 WeakPolarHBondContact CA-O 3.4Å; Q54-T61 HydrophobicContact CG-CG2 3.66Å; Q54-L87 HydrophobicContact CG-CD2 4.35Å; Q54-R88 PolarHBondContact NE2-O 3.07Å
55	E	94.6	Very high	96	Very high	34 Å²	34	45 Å²	45	16%	0.159	25%	0.248	C	C	.	.			trans	-68.8	155.7	175.3	61.7	67.9	-135.5	0	0	112.2	I30 F53 E57 G58 G59 W60	I30-E55 HydrophobicContact CD1-CB 4.07Å; I30-E55 HydrophobicContact CD1-CG 4.28Å; F53-E55 HydrophobicContact CE1-CB 4.16Å; E55-E57 PolarHBondContact O-N 2.95Å; E55-E57 WeakPolarHBondContact OE2-CA 3.33Å; E55-E57 VanDerWaalsContact OE2-CB 3.29Å; E55-E57 WeakPolarHBondContact OE2-CB 3.39Å; E55-E57 PolarHBondContact OE2-N 2.85Å; E55-G58 WeakPolarHBondContact OE1-CA 3.32Å; E55-G58 PolarHBondContact OE1-N 3.22Å; E55-G58 PolarHBondContact OE2-N 3.11Å; E55-G59 VanDerWaalsContact O-CA 3.22Å; E55-G59 WeakPolarHBondContact O-CA 3.4Å; E55-G59 PolarHBondContact O-N 2.93Å; E55-G59 PolarHBondContact OE1-N 3.46Å; E55-W60 HydrophobicContact CG-CB 3.86Å; E55-W60 PolarHBondContact N-O 2.93Å; E55-W60 VanDerWaalsContact OE1-CD1 3.25Å; E55-W60 PolarHBondContact OE1-N 3.44Å
56	E	93	Very high	96.2	Very high	164 Å²	164	44.6 Å²	44.6	77%	0.766	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-23.5	-165	-67.9	-172.3	176.7	0	0	114.8	K90	E56-K90 WeakPolarHBondContact O-CE 3.42Å; E56-K90 PolarHBondContact O-NZ 3.06Å
57	E	92.3	Very high	96.3	Very high	174 Å²	174	38.9 Å²	38.9	81%	0.813	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-57	-174.9	-61	-169.6	165.1	0	0	110.9	E55 K90	E55-E57 PolarHBondContact O-N 2.95Å; E55-E57 WeakPolarHBondContact OE2-CA 3.33Å; E55-E57 VanDerWaalsContact OE2-CB 3.29Å; E55-E57 WeakPolarHBondContact OE2-CB 3.39Å; E55-E57 PolarHBondContact OE2-N 2.85Å; E57-K90 WeakPolarHBondContact O-CD 3.44Å; E57-K90 WeakPolarHBondContact O-CE 3.4Å; E57-K90 PolarHBondContact O-NZ 3.13Å
58	G	95	Very high	96.6	Very high	20 Å²	20	40.8 Å²	40.8	21%	0.206	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-5.9	-171.8	0	0	0	0	0	115.3	E55 W60 K90	E55-G58 WeakPolarHBondContact OE1-CA 3.32Å; E55-G58 PolarHBondContact OE1-N 3.22Å; E55-G58 PolarHBondContact OE2-N 3.11Å; G58-W60 VanDerWaalsContact C-N 3.33Å; G58-K90 VanDerWaalsContact O-CB 3.27Å; G58-K90 WeakPolarHBondContact O-CB 3.02Å; G58-K90 WeakPolarHBondContact O-CG 3.44Å; G58-K90 PolarHBondContact O-N 2.94Å
59	G	97.3	Very high	96.8	Very high	2 Å²	2	42.6 Å²	42.6	2%	0.021	21%	0.21	C	C	.	.			trans	70.3	25.6	-174.6	0	0	0	0	0	113.8	Q54 E55 K89	Q54-G59 PolarHBondContact NE2-O 3.29Å; E55-G59 VanDerWaalsContact O-CA 3.22Å; E55-G59 WeakPolarHBondContact O-CA 3.4Å; E55-G59 PolarHBondContact O-N 2.93Å; E55-G59 PolarHBondContact OE1-N 3.46Å; G59-K89 WeakPolarHBondContact O-CA 3.34Å; G59-K89 VanDerWaalsContact O-CB 3.3Å; G59-K89 WeakPolarHBondContact O-CB 3.49Å
60	W	98.2	Very high	97	Very high	59 Å²	59	44.2 Å²	44.2	22%	0.223	22%	0.221	C	C	.	.			trans	-69.9	139.5	178.7	-72	83	0	0	0	111.6	Q54 E55 G58 H64 Q68 K89	Q54-W60 WeakPolarHBondContact CA-O 3.4Å; E55-W60 HydrophobicContact CG-CB 3.86Å; E55-W60 PolarHBondContact N-O 2.93Å; E55-W60 VanDerWaalsContact OE1-CD1 3.25Å; E55-W60 PolarHBondContact OE1-N 3.44Å; G58-W60 VanDerWaalsContact C-N 3.33Å; W60-H64 HydrophobicContact CD2-CB 4.43Å; W60-H64 HydrophobicContact CE3-CB 3.5Å; W60-H64 VanDerWaalsContact CE3-CB 3.5Å; W60-H64 HydrophobicContact CZ3-CB 3.97Å; W60-Q68 HydrophobicContact CZ3-CB 4.29Å; W60-K89 HydrophobicContact CD2-CD 3.86Å; W60-K89 HydrophobicContact CE3-CD 4.26Å; W60-K89 HydrophobicContact CG-CD 4.33Å; W60-K89 HydrophobicContact CH2-CD 4.29Å; W60-K89 HydrophobicContact CZ2-CD 3.92Å; W60-K89 HydrophobicContact CZ3-CD 4.45Å
61	T	98.4	Very high	97	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	21%	0.207	C	C	.	.			trans	-106.3	164	176.1	70.1	0	0	0	0	111.1	F53 Q54 L63 H64 N65 L87	F53-T61 VanDerWaalsContact O-CA 3.26Å; F53-T61 WeakPolarHBondContact O-CA 3.45Å; Q54-T61 HydrophobicContact CG-CG2 3.66Å; T61-L63 PolarHBondContact O-N 3.45Å; T61-L63 PolarHBondContact OG1-N 3.26Å; T61-H64 PolarHBondContact N-ND1 3.25Å; T61-H64 PolarHBondContact O-N 3.24Å; T61-H64 VanDerWaalsContact O-N 3.16Å; T61-H64 PolarHBondContact OG1-N 2.82Å; T61-H64 VanDerWaalsContact OG1-N 3.11Å; T61-H64 PolarHBondContact OG1-ND1 2.87Å; T61-N65 PolarHBondContact O-N 3.5Å; T61-N65 VanDerWaalsContact O-N 3.13Å; T61-N65 PolarHBondContact O-ND2 3.5Å; T61-L87 HydrophobicContact CG2-CD2 3.69Å; T61-L87 HydrophobicContact CG2-CG 4.32Å
62	P	98.4	Very high	97	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-47.5	-44.3	166.1	-30	36.2	0	0	0	112.4	L29 I30 V33 V51 F53 H64 N65 A66 L78	L29-P62 HydrophobicContact CD2-CB 4.27Å; L29-P62 HydrophobicContact CD2-CG 3.68Å; L29-P62 HydrophobicContact CG-CB 4.2Å; L29-P62 HydrophobicContact CG-CG 3.82Å; I30-P62 HydrophobicContact CG1-CG 3.88Å; V33-P62 HydrophobicContact CG2-CB 4.14Å; V51-P62 WeakPolarHBondContact O-CD 3.37Å; V51-P62 WeakPolarHBondContact O-CG 3.34Å; F53-P62 WeakPolarHBondContact O-CD 3.26Å; P62-H64 PolarHBondContact O-N 3.28Å; P62-N65 PolarHBondContact O-N 3.29Å; P62-A66 PolarHBondContact O-N 3.07Å; P62-L78 HydrophobicContact CB-CD1 3.97Å; P62-L78 HydrophobicContact CB-CD2 3.83Å
63	L	98.6	Very high	96.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.3	-44.3	179	-175.9	62.5	0	0	0	112.6	T61 N65 A66 V67 V75 L78 L79 A83 D84 P95 F111	T61-L63 PolarHBondContact O-N 3.45Å; T61-L63 PolarHBondContact OG1-N 3.26Å; L63-N65 VanDerWaalsContact C-N 3.3Å; L63-N65 PolarHBondContact O-N 3.1Å; L63-A66 PolarHBondContact O-N 3.32Å; L63-V67 HydrophobicContact CD1-CG2 4.32Å; L63-V67 VanDerWaalsContact O-CG2 3.28Å; L63-V67 WeakPolarHBondContact O-CG2 3.38Å; L63-V67 PolarHBondContact O-N 3.32Å; L63-V75 HydrophobicContact CD1-CB 4.36Å; L63-V75 HydrophobicContact CD1-CG1 3.9Å; L63-V75 HydrophobicContact CD1-CG2 4.26Å; L63-L78 HydrophobicContact CB-CD1 4.48Å; L63-L78 HydrophobicContact CD1-CB 4.46Å; L63-L79 HydrophobicContact CD1-CD2 4.42Å; L63-L79 HydrophobicContact CD1-CG 4.35Å; L63-L79 HydrophobicContact CD2-CD2 4.06Å; L63-A83 HydrophobicContact CB-CB 4.36Å; L63-A83 HydrophobicContact CD2-CB 4.14Å; L63-D84 WeakPolarHBondContact CD2-O 3.34Å; L63-P95 HydrophobicContact CD2-CB 4.28Å; L63-P95 HydrophobicContact CD2-CG 3.8Å; L63-P95 HydrophobicContact CG-CB 4.4Å; L63-P95 HydrophobicContact CG-CG 4.16Å; L63-F111 HydrophobicContact CD1-CE1 4.47Å; L63-F111 HydrophobicContact CD1-CZ 4.22Å; L63-F111 HydrophobicContact CD2-CE1 4.24Å
64	H	98.6	Very high	97	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-59.7	-41.5	176.7	-70.3	101.8	0	0	0	112.2	W60 T61 P62 Q68 L87 A93	W60-H64 HydrophobicContact CD2-CB 4.43Å; W60-H64 HydrophobicContact CE3-CB 3.5Å; W60-H64 VanDerWaalsContact CE3-CB 3.5Å; W60-H64 HydrophobicContact CZ3-CB 3.97Å; T61-H64 PolarHBondContact N-ND1 3.25Å; T61-H64 PolarHBondContact O-N 3.24Å; T61-H64 VanDerWaalsContact O-N 3.16Å; T61-H64 PolarHBondContact OG1-N 2.82Å; T61-H64 VanDerWaalsContact OG1-N 3.11Å; T61-H64 PolarHBondContact OG1-ND1 2.87Å; P62-H64 PolarHBondContact O-N 3.28Å; H64-Q68 WeakPolarHBondContact O-CB 3.23Å; H64-Q68 PolarHBondContact O-N 3.16Å; H64-L87 PolarHBondContact CE1-O 2.87Å; H64-L87 PolarHBondContact NE2-O 3Å; H64-A93 PolarHBondContact NE2-O 2.68Å
65	N	98.3	Very high	97	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.037	22%	0.215	C	C	.	.	H	α-helix	trans	-66.1	-44.5	178.2	-74	-92.5	0	0	0	111	V33 Q34 T61 P62 L63 V67 Q68 M69	V33-N65 HydrophobicContact CG1-CB 3.8Å; Q34-N65 HydrophobicContact CG-CB 4.25Å; Q34-N65 WeakPolarHBondContact CG-OD1 3.06Å; Q34-N65 PolarHBondContact NE2-OD1 2.89Å; T61-N65 PolarHBondContact O-N 3.5Å; T61-N65 VanDerWaalsContact O-N 3.13Å; T61-N65 PolarHBondContact O-ND2 3.5Å; P62-N65 PolarHBondContact O-N 3.29Å; L63-N65 VanDerWaalsContact C-N 3.3Å; L63-N65 PolarHBondContact O-N 3.1Å; N65-V67 VanDerWaalsContact C-N 3.31Å; N65-V67 PolarHBondContact O-N 3.01Å; N65-Q68 PolarHBondContact O-N 2.99Å; N65-M69 WeakPolarHBondContact O-CG 3.3Å; N65-M69 PolarHBondContact O-N 3.45Å
66	A	98.4	Very high	97.2	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-60.3	-41.5	178.2	0	0	0	0	0	112.1	V33 P62 L63 M69 S70 N71 I74 V75 L78	V33-A66 HydrophobicContact CG1-CB 3.75Å; P62-A66 PolarHBondContact O-N 3.07Å; L63-A66 PolarHBondContact O-N 3.32Å; A66-M69 PolarHBondContact O-N 2.91Å; A66-S70 PolarHBondContact O-N 3.49Å; A66-N71 PolarHBondContact O-N 3.01Å; A66-I74 HydrophobicContact CB-CB 4.19Å; A66-I74 HydrophobicContact CB-CG2 3.68Å; A66-V75 HydrophobicContact CB-CG2 3.68Å; A66-L78 HydrophobicContact CB-CD1 3.83Å
67	V	98.5	Very high	97.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.4	-42.9	176.7	176.8	0	0	0	0	111.8	L63 N65 M69 S70 V75 P95 V98 A99 L107 F111	L63-V67 HydrophobicContact CD1-CG2 4.32Å; L63-V67 VanDerWaalsContact O-CG2 3.28Å; L63-V67 WeakPolarHBondContact O-CG2 3.38Å; L63-V67 PolarHBondContact O-N 3.32Å; N65-V67 VanDerWaalsContact C-N 3.31Å; N65-V67 PolarHBondContact O-N 3.01Å; V67-M69 PolarHBondContact O-N 3.49Å; V67-S70 WeakPolarHBondContact O-CA 3.48Å; V67-S70 PolarHBondContact O-N 3.05Å; V67-V75 HydrophobicContact CG2-CG2 3.65Å; V67-P95 WeakPolarHBondContact CG1-O 3.35Å; V67-P95 HydrophobicContact CG2-CB 4.25Å; V67-V98 HydrophobicContact CB-CG1 4.23Å; V67-V98 HydrophobicContact CG1-CB 4.01Å; V67-V98 HydrophobicContact CG1-CG1 3.89Å; V67-A99 HydrophobicContact CG1-CB 3.71Å; V67-A99 VanDerWaalsContact CG1-N 3.32Å; V67-L107 HydrophobicContact CB-CD1 4.49Å; V67-L107 HydrophobicContact CG1-CD1 4.11Å; V67-F111 HydrophobicContact CG1-CE2 4.17Å; V67-F111 HydrophobicContact CG2-CE2 3.46Å; V67-F111 VanDerWaalsContact CG2-CE2 3.46Å; V67-F111 HydrophobicContact CG2-CZ 3.42Å; V67-F111 VanDerWaalsContact CG2-CZ 3.42Å
68	Q	97.8	Very high	97.7	Very high	92 Å²	92	29.6 Å²	29.6	43%	0.43	15%	0.154	S	C	.	.	H	α-helix	trans	-59.3	-37.5	177.4	-175.9	177.1	33.6	0	0	111.8	W60 H64 N65 S70 V98	W60-Q68 HydrophobicContact CZ3-CB 4.29Å; H64-Q68 WeakPolarHBondContact O-CB 3.23Å; H64-Q68 PolarHBondContact O-N 3.16Å; N65-Q68 PolarHBondContact O-N 2.99Å; Q68-S70 PolarHBondContact O-N 3.17Å; Q68-V98 HydrophobicContact CB-CG1 3.91Å
69	M	96.5	Very high	97.9	Very high	86 Å²	86	29.6 Å²	29.6	42%	0.424	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-2.6	175.1	-62.7	-57	-65.9	0	0	113.5	E36 N65 A66 V67 N71	E36-M69 WeakPolarHBondContact OE1-CE 3.47Å; N65-M69 WeakPolarHBondContact O-CG 3.3Å; N65-M69 PolarHBondContact O-N 3.45Å; A66-M69 PolarHBondContact O-N 2.91Å; V67-M69 PolarHBondContact O-N 3.49Å; M69-N71 PolarHBondContact O-N 2.78Å
70	S	97	Very high	97.9	Very high	45 Å²	45	37.9 Å²	37.9	32%	0.315	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	25.9	-173.4	-64.9	0	0	0	0	114.6	A66 V67 Q68 E72 A102	A66-S70 PolarHBondContact O-N 3.49Å; V67-S70 WeakPolarHBondContact O-CA 3.48Å; V67-S70 PolarHBondContact O-N 3.05Å; Q68-S70 PolarHBondContact O-N 3.17Å; S70-E72 PolarHBondContact O-N 3.13Å; S70-A102 WeakPolarHBondContact OG-CB 3.28Å
71	N	96.9	Very high	97.9	Very high	24 Å²	24	39 Å²	39	13%	0.128	18%	0.184	C	C	.	.			trans	-88	90.8	-178.6	-168.6	-38.4	0	0	0	110.7	A66 M69 D73 I74 V75	A66-N71 PolarHBondContact O-N 3.01Å; M69-N71 PolarHBondContact O-N 2.78Å; N71-D73 VanDerWaalsContact C-N 3.26Å; N71-D73 PolarHBondContact O-N 3.39Å; N71-D73 PolarHBondContact OD1-N 3.3Å; N71-I74 HydrophobicContact CB-CB 4.34Å; N71-I74 HydrophobicContact CB-CD1 4.43Å; N71-I74 HydrophobicContact CB-CG1 4.5Å; N71-I74 WeakPolarHBondContact ND2-CD1 3.39Å; N71-I74 PolarHBondContact O-N 2.96Å; N71-I74 PolarHBondContact OD1-N 3.4Å; N71-V75 WeakPolarHBondContact O-CG2 3.38Å; N71-V75 PolarHBondContact O-N 3.32Å
72	E	97.3	Very high	97.8	Very high	63 Å²	63	45.3 Å²	45.3	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-57.2	-36.1	-179.2	-71.1	164.4	-146.3	0	0	113.1	S70 V75 E76 N104 K106 L107	S70-E72 PolarHBondContact O-N 3.13Å; E72-V75 PolarHBondContact O-N 2.59Å; E72-E76 WeakPolarHBondContact O-CB 3.27Å; E72-E76 PolarHBondContact O-N 3.17Å; E72-N104 PolarHBondContact OE1-ND2 2.91Å; E72-N104 PolarHBondContact OE1-OD1 2.97Å; E72-K106 VanDerWaalsContact CD-CD 3.47Å; E72-K106 VanDerWaalsContact OE1-CD 3.3Å; E72-K106 WeakPolarHBondContact OE1-CD 3.33Å; E72-K106 IonicContact OE1-NZ 2.67Å; E72-K106 WeakPolarHBondContact OE2-CD 3.34Å; E72-K106 IonicContact OE2-NZ 3.74Å; E72-K106 PolarHBondContact OE2-NZ 3.42Å; E72-L107 HydrophobicContact CB-CD2 4.49Å; E72-L107 HydrophobicContact CG-CD2 3.86Å; E72-L107 HydrophobicContact CG-CG 4.03Å
73	D	96.3	Very high	97.8	Very high	128 Å²	128	45.6 Å²	45.6	68%	0.684	22%	0.22	S	C	*	.	H	α-helix	trans	-69.9	-43.8	-177.3	-64.9	-36	0	0	0	111.3	N71 E76 L77	N71-D73 VanDerWaalsContact C-N 3.26Å; N71-D73 PolarHBondContact O-N 3.39Å; N71-D73 PolarHBondContact OD1-N 3.3Å; D73-E76 PolarHBondContact O-N 2.87Å; D73-L77 WeakPolarHBondContact O-CB 3.47Å; D73-L77 PolarHBondContact O-N 3.12Å
74	I	98.1	Very high	97.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.3	-37.5	175.2	-64.4	179.1	0	0	0	110.6	V33 E36 V38 V41 A66 N71 L77 L78	V33-I74 HydrophobicContact CG1-CG2 4.1Å; V33-I74 HydrophobicContact CG2-CG2 3.95Å; E36-I74 HydrophobicContact CB-CD1 4.35Å; V38-I74 HydrophobicContact CG2-CD1 4.12Å; V38-I74 HydrophobicContact CG2-CG1 3.91Å; V41-I74 HydrophobicContact CG1-CG2 4.48Å; A66-I74 HydrophobicContact CB-CB 4.19Å; A66-I74 HydrophobicContact CB-CG2 3.68Å; N71-I74 HydrophobicContact CB-CB 4.34Å; N71-I74 HydrophobicContact CB-CD1 4.43Å; N71-I74 HydrophobicContact CB-CG1 4.5Å; N71-I74 WeakPolarHBondContact ND2-CD1 3.39Å; N71-I74 PolarHBondContact O-N 2.96Å; N71-I74 PolarHBondContact OD1-N 3.4Å; I74-L77 PolarHBondContact O-N 3.11Å; I74-L78 HydrophobicContact CG2-CD1 3.8Å; I74-L78 HydrophobicContact CG2-CG 4.17Å; I74-L78 WeakPolarHBondContact O-CB 3.34Å; I74-L78 WeakPolarHBondContact O-CG 3.49Å; I74-L78 PolarHBondContact O-N 3.43Å
75	V	98.6	Very high	97.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-58.9	-50.3	174.1	167.3	0	0	0	0	110.8	L63 A66 V67 N71 E72 L77 L78 L79 L107 L110 F111	L63-V75 HydrophobicContact CD1-CB 4.36Å; L63-V75 HydrophobicContact CD1-CG1 3.9Å; L63-V75 HydrophobicContact CD1-CG2 4.26Å; A66-V75 HydrophobicContact CB-CG2 3.68Å; V67-V75 HydrophobicContact CG2-CG2 3.65Å; N71-V75 WeakPolarHBondContact O-CG2 3.38Å; N71-V75 PolarHBondContact O-N 3.32Å; E72-V75 PolarHBondContact O-N 2.59Å; V75-L77 VanDerWaalsContact C-N 3.34Å; V75-L77 PolarHBondContact O-N 3.27Å; V75-L78 PolarHBondContact O-N 3.34Å; V75-L79 HydrophobicContact CG1-CD1 3.89Å; V75-L79 HydrophobicContact CG1-CG 4.43Å; V75-L79 WeakPolarHBondContact O-CB 3.35Å; V75-L79 VanDerWaalsContact O-CG 3.28Å; V75-L79 WeakPolarHBondContact O-CG 3.31Å; V75-L79 PolarHBondContact O-N 3.04Å; V75-L107 HydrophobicContact CB-CD2 4.1Å; V75-L107 HydrophobicContact CG1-CD2 3.88Å; V75-L107 HydrophobicContact CG2-CD1 4.45Å; V75-L107 HydrophobicContact CG2-CD2 4.08Å; V75-L110 HydrophobicContact CG1-CD2 3.81Å; V75-F111 HydrophobicContact CG1-CZ 3.93Å
76	E	97.9	Very high	97.8	Very high	70 Å²	70	52.4 Å²	52.4	33%	0.327	26%	0.26	S	S	.	.	H	α-helix	trans	-63.6	-39.9	179	178.7	63.4	-165.8	0	0	111.6	E72 D73 L79 R80	E72-E76 WeakPolarHBondContact O-CB 3.27Å; E72-E76 PolarHBondContact O-N 3.17Å; D73-E76 PolarHBondContact O-N 2.87Å; E76-L79 PolarHBondContact O-N 3.4Å; E76-R80 VanDerWaalsContact O-CG 3.3Å; E76-R80 WeakPolarHBondContact O-CG 3.48Å; E76-R80 PolarHBondContact O-N 3Å; E76-R80 IonicContact OE1-CZ 3.73Å; E76-R80 IonicContact OE1-NE 2.71Å; E76-R80 PolarHBondContact OE1-NE 3.2Å; E76-R80 IonicContact OE1-NH2 3.89Å; E76-R80 PolarHBondContact OE1-NH2 3.44Å; E76-R80 VanDerWaalsContact OE1-NH2 3.16Å
77	L	97.9	Very high	97.8	Very high	22 Å²	22	54.2 Å²	54.2	12%	0.115	27%	0.27	C	S	.	.	H	α-helix	trans	-59	-51.7	173.7	178.9	61.1	0	0	0	111	V38 V41 Q42 L45 D73 I74 V75 L79 R80 Y81	V38-L77 HydrophobicContact CG1-CD2 4.24Å; V41-L77 HydrophobicContact CB-CD2 4.4Å; V41-L77 HydrophobicContact CG1-CD2 3.8Å; Q42-L77 HydrophobicContact CB-CD2 4.15Å; L45-L77 HydrophobicContact CD1-CD2 4.48Å; L45-L77 HydrophobicContact CD1-CG 4.14Å; D73-L77 WeakPolarHBondContact O-CB 3.47Å; D73-L77 PolarHBondContact O-N 3.12Å; I74-L77 PolarHBondContact O-N 3.11Å; V75-L77 VanDerWaalsContact C-N 3.34Å; V75-L77 PolarHBondContact O-N 3.27Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-L79 PolarHBondContact O-N 3.45Å; L77-R80 WeakPolarHBondContact O-CB 3.46Å; L77-R80 PolarHBondContact O-N 3.17Å; L77-R80 VanDerWaalsContact O-N 3.16Å; L77-Y81 HydrophobicContact CD1-CD2 4Å; L77-Y81 HydrophobicContact CD1-CE2 3.7Å; L77-Y81 WeakPolarHBondContact O-CD2 3.43Å; L77-Y81 PolarHBondContact O-N 3.47Å
78	L	98.4	Very high	97.8	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-60.7	-41.5	179.6	-69.4	168.3	0	0	0	111.8	V33 V41 L45 V51 P62 L63 A66 I74 V75 R80 Y81 A83	V33-L78 HydrophobicContact CG2-CD1 4.22Å; V41-L78 HydrophobicContact CG1-CD2 4.31Å; L45-L78 HydrophobicContact CD1-CD2 3.95Å; L45-L78 HydrophobicContact CD2-CD2 4.2Å; V51-L78 HydrophobicContact CG2-CB 4.31Å; V51-L78 HydrophobicContact CG2-CD2 3.81Å; P62-L78 HydrophobicContact CB-CD1 3.97Å; P62-L78 HydrophobicContact CB-CD2 3.83Å; L63-L78 HydrophobicContact CB-CD1 4.48Å; L63-L78 HydrophobicContact CD1-CB 4.46Å; A66-L78 HydrophobicContact CB-CD1 3.83Å; I74-L78 HydrophobicContact CG2-CD1 3.8Å; I74-L78 HydrophobicContact CG2-CG 4.17Å; I74-L78 WeakPolarHBondContact O-CB 3.34Å; I74-L78 WeakPolarHBondContact O-CG 3.49Å; I74-L78 PolarHBondContact O-N 3.43Å; V75-L78 PolarHBondContact O-N 3.34Å; L78-R80 VanDerWaalsContact C-N 3.32Å; L78-R80 PolarHBondContact O-N 3.09Å; L78-Y81 CarbonylContact O-C 3.51Å; L78-Y81 PolarHBondContact O-N 3.27Å; L78-Y81 VanDerWaalsContact O-N 3.1Å; L78-A83 HydrophobicContact CB-CB 4.03Å; L78-A83 WeakPolarHBondContact O-CB 3.46Å; L78-A83 PolarHBondContact O-N 3.18Å; L78-A83 VanDerWaalsContact O-N 3.08Å
79	L	98.1	Very high	97.8	Very high	21 Å²	21	54.8 Å²	54.8	11%	0.11	27%	0.269	C	S	.	.	H	α-helix	trans	-65.2	-31.9	177.1	-70.5	173.4	0	0	0	113	L63 V75 E76 L77 Y81 D82 A83 P85 L110 F111	L63-L79 HydrophobicContact CD1-CD2 4.42Å; L63-L79 HydrophobicContact CD1-CG 4.35Å; L63-L79 HydrophobicContact CD2-CD2 4.06Å; V75-L79 HydrophobicContact CG1-CD1 3.89Å; V75-L79 HydrophobicContact CG1-CG 4.43Å; V75-L79 WeakPolarHBondContact O-CB 3.35Å; V75-L79 VanDerWaalsContact O-CG 3.28Å; V75-L79 WeakPolarHBondContact O-CG 3.31Å; V75-L79 PolarHBondContact O-N 3.04Å; E76-L79 PolarHBondContact O-N 3.4Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-L79 PolarHBondContact O-N 3.45Å; L79-Y81 PolarHBondContact O-N 3.16Å; L79-D82 PolarHBondContact O-N 3.44Å; L79-A83 HydrophobicContact CD2-CB 4.31Å; L79-P85 HydrophobicContact CD2-CB 3.93Å; L79-L110 HydrophobicContact CD1-CD2 3.81Å; L79-L110 HydrophobicContact CD1-CG 4.35Å; L79-F111 HydrophobicContact CD1-CE1 4.47Å
80	R	97.7	Very high	97.8	Very high	176 Å²	176	56.5 Å²	56.5	66%	0.664	27%	0.274	S	S	*	.	H	α-helix	trans	-68.4	-24	173.1	-73.1	172	-171.7	178	6.8	113.2	E76 L77 L78 D82	E76-R80 VanDerWaalsContact O-CG 3.3Å; E76-R80 WeakPolarHBondContact O-CG 3.48Å; E76-R80 PolarHBondContact O-N 3Å; E76-R80 IonicContact OE1-CZ 3.73Å; E76-R80 IonicContact OE1-NE 2.71Å; E76-R80 PolarHBondContact OE1-NE 3.2Å; E76-R80 IonicContact OE1-NH2 3.89Å; E76-R80 PolarHBondContact OE1-NH2 3.44Å; E76-R80 VanDerWaalsContact OE1-NH2 3.16Å; L77-R80 WeakPolarHBondContact O-CB 3.46Å; L77-R80 PolarHBondContact O-N 3.17Å; L77-R80 VanDerWaalsContact O-N 3.16Å; L78-R80 VanDerWaalsContact C-N 3.32Å; L78-R80 PolarHBondContact O-N 3.09Å; R80-D82 VanDerWaalsContact C-N 3.3Å
81	Y	97.6	Very high	97.8	Very high	81 Å²	81	56.1 Å²	56.1	32%	0.318	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	27.1	173.5	-78.1	-90.6	0	0	0	112.2	L45 E46 V51 L77 L78 L79 A83	L45-Y81 HydrophobicContact CB-CD1 3.82Å; L45-Y81 HydrophobicContact CB-CD2 4.19Å; L45-Y81 HydrophobicContact CB-CE1 3.97Å; L45-Y81 HydrophobicContact CB-CE2 4.33Å; L45-Y81 HydrophobicContact CB-CG 3.94Å; L45-Y81 HydrophobicContact CD1-CD2 3.77Å; L45-Y81 HydrophobicContact CD1-CE2 4.3Å; L45-Y81 HydrophobicContact CD1-CG 4Å; L45-Y81 HydrophobicContact CD2-CG 4.48Å; L45-Y81 HydrophobicContact CG-CG 4.36Å; E46-Y81 HydrophobicContact CG-CE1 4.41Å; E46-Y81 WeakPolarHBondContact CG-OH 3.49Å; V51-Y81 WeakPolarHBondContact CG1-O 3.34Å; L77-Y81 HydrophobicContact CD1-CD2 4Å; L77-Y81 HydrophobicContact CD1-CE2 3.7Å; L77-Y81 WeakPolarHBondContact O-CD2 3.43Å; L77-Y81 PolarHBondContact O-N 3.47Å; L78-Y81 CarbonylContact O-C 3.51Å; L78-Y81 PolarHBondContact O-N 3.27Å; L78-Y81 VanDerWaalsContact O-N 3.1Å; L79-Y81 PolarHBondContact O-N 3.16Å; Y81-A83 PolarHBondContact O-N 2.86Å
82	D	97.4	Very high	97.9	Very high	136 Å²	136	55 Å²	55	73%	0.727	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	63	32.7	175.6	-58.7	-48.3	0	0	0	114.8	N52 L79 R80 D84	N52-D82 PolarHBondContact ND2-O 2.97Å; N52-D82 VanDerWaalsContact ND2-O 3.11Å; L79-D82 PolarHBondContact O-N 3.44Å; R80-D82 VanDerWaalsContact C-N 3.3Å; D82-D84 PolarHBondContact O-N 2.99Å
83	A	98.3	Very high	97.9	Very high	5 Å²	5	52 Å²	52	4%	0.041	25%	0.248	C	C	.	.			trans	-58	131.1	163.4	0	0	0	0	0	110.2	V51 N52 L63 L78 L79 Y81 P85	V51-A83 HydrophobicContact CG2-CB 3.67Å; N52-A83 WeakPolarHBondContact OD1-CA 3.49Å; L63-A83 HydrophobicContact CB-CB 4.36Å; L63-A83 HydrophobicContact CD2-CB 4.14Å; L78-A83 HydrophobicContact CB-CB 4.03Å; L78-A83 WeakPolarHBondContact O-CB 3.46Å; L78-A83 PolarHBondContact O-N 3.18Å; L78-A83 VanDerWaalsContact O-N 3.08Å; L79-A83 HydrophobicContact CD2-CB 4.31Å; Y81-A83 PolarHBondContact O-N 2.86Å; A83-P85 VanDerWaalsContact O-CD 3.3Å; A83-P85 WeakPolarHBondContact O-CD 3.5Å
84	D	98.4	Very high	98.1	Very high	62 Å²	62	46 Å²	46	33%	0.332	22%	0.216	S	C	.	.			trans	-72.2	113.8	177.9	179.8	-13.9	0	0	0	109.6	N52 L63 D82 V86 L87	N52-D84 PolarHBondContact OD1-N 3.33Å; L63-D84 WeakPolarHBondContact CD2-O 3.34Å; D82-D84 PolarHBondContact O-N 2.99Å; D84-V86 PolarHBondContact O-N 2.93Å; D84-V86 VanDerWaalsContact OD1-CG2 3.26Å; D84-V86 WeakPolarHBondContact OD1-CG2 3.34Å; D84-V86 PolarHBondContact OD1-N 3.27Å; D84-L87 HydrophobicContact CB-CB 3.81Å; D84-L87 PolarHBondContact O-N 3.33Å; D84-L87 PolarHBondContact OD1-N 3Å
85	P	97.9	Very high	98.1	Very high	29 Å²	29	46 Å²	46	19%	0.188	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-12.1	-173.5	30	-35.8	0	0	0	113.9	L79 A83 P95 F111 K114	L79-P85 HydrophobicContact CD2-CB 3.93Å; A83-P85 VanDerWaalsContact O-CD 3.3Å; A83-P85 WeakPolarHBondContact O-CD 3.5Å; P85-P95 WeakPolarHBondContact O-CG 3.41Å; P85-F111 HydrophobicContact CB-CD1 4.16Å; P85-F111 HydrophobicContact CB-CE1 4.36Å; P85-K114 HydrophobicContact CB-CB 3.77Å; P85-K114 HydrophobicContact CB-CG 4.29Å; P85-K114 HydrophobicContact CG-CB 3.96Å
86	V	97.9	Very high	98.1	Very high	59 Å²	59	46 Å²	46	36%	0.358	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	5.8	-176.3	-62.4	0	0	0	0	113	D84 R88	D84-V86 PolarHBondContact O-N 2.93Å; D84-V86 VanDerWaalsContact OD1-CG2 3.26Å; D84-V86 WeakPolarHBondContact OD1-CG2 3.34Å; D84-V86 PolarHBondContact OD1-N 3.27Å; V86-R88 PolarHBondContact O-N 3.03Å
87	L	98.1	Very high	98.1	Very high	39 Å²	39	42.7 Å²	42.7	20%	0.204	20%	0.2	C	C	.	.			trans	-60.5	130	177.6	-179.8	58.3	0	0	0	110.7	N52 Q54 T61 H64 D84 P95	N52-L87 HydrophobicContact CB-CD2 4.18Å; Q54-L87 HydrophobicContact CG-CD2 4.35Å; T61-L87 HydrophobicContact CG2-CD2 3.69Å; T61-L87 HydrophobicContact CG2-CG 4.32Å; H64-L87 PolarHBondContact CE1-O 2.87Å; H64-L87 PolarHBondContact NE2-O 3Å; D84-L87 HydrophobicContact CB-CB 3.81Å; D84-L87 PolarHBondContact O-N 3.33Å; D84-L87 PolarHBondContact OD1-N 3Å; L87-P95 WeakPolarHBondContact O-CD 3.49Å
88	R	98.6	Very high	98.2	Very high	82 Å²	82	41.7 Å²	41.7	31%	0.309	20%	0.195	S	C	.	.			trans	-94.1	138.1	-176.4	-67.9	173.7	179.5	-103.3	-2.2	111.5	Q54 V86 G92 A93 T94 E120 C121	Q54-R88 PolarHBondContact NE2-O 3.07Å; V86-R88 PolarHBondContact O-N 3.03Å; R88-G92 WeakPolarHBondContact CD-O 3.37Å; R88-G92 WeakPolarHBondContact CG-O 3.31Å; R88-G92 PolarHBondContact NH1-O 3.14Å; R88-A93 WeakPolarHBondContact CA-O 3.27Å; R88-T94 HydrophobicContact CG-CG2 3.61Å; R88-E120 IonicContact NH2-OE2 3.96Å; R88-E120 PolarHBondContact NH2-OE2 3.32Å; R88-E120 VanDerWaalsContact NH2-OE2 3.11Å; R88-C121 PolarHBondContact NH1-O 3.04Å
89	K	97.9	Very high	98.2	Very high	23 Å²	23	41.7 Å²	41.7	10%	0.1	20%	0.195	C	C	.	.			trans	-76.6	174.9	164.5	72.4	-173.7	172.9	65.6	0	111.1	G59 W60 N91 G92 A93	G59-K89 WeakPolarHBondContact O-CA 3.34Å; G59-K89 VanDerWaalsContact O-CB 3.3Å; G59-K89 WeakPolarHBondContact O-CB 3.49Å; W60-K89 HydrophobicContact CD2-CD 3.86Å; W60-K89 HydrophobicContact CE3-CD 4.26Å; W60-K89 HydrophobicContact CG-CD 4.33Å; W60-K89 HydrophobicContact CH2-CD 4.29Å; W60-K89 HydrophobicContact CZ2-CD 3.92Å; W60-K89 HydrophobicContact CZ3-CD 4.45Å; K89-N91 VanDerWaalsContact C-N 3.28Å; K89-N91 WeakPolarHBondContact CG-OD1 3.5Å; K89-N91 PolarHBondContact NZ-ND2 3.02Å; K89-N91 VanDerWaalsContact NZ-ND2 3.12Å; K89-N91 PolarHBondContact NZ-OD1 2.98Å; K89-N91 PolarHBondContact O-N 3.17Å; K89-N91 VanDerWaalsContact O-N 3.12Å; K89-G92 WeakPolarHBondContact O-CA 3.4Å; K89-G92 PolarHBondContact O-N 3.18Å; K89-A93 HydrophobicContact CG-CB 4.3Å; K89-A93 PolarHBondContact N-O 3.31Å
90	K	98.1	Very high	98.2	Very high	122 Å²	122	40.7 Å²	40.7	53%	0.53	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.3	-168.6	-74	-174.2	-175.5	-179.8	0	115.8	E56 E57 G58 G92 F123	E56-K90 WeakPolarHBondContact O-CE 3.42Å; E56-K90 PolarHBondContact O-NZ 3.06Å; E57-K90 WeakPolarHBondContact O-CD 3.44Å; E57-K90 WeakPolarHBondContact O-CE 3.4Å; E57-K90 PolarHBondContact O-NZ 3.13Å; G58-K90 VanDerWaalsContact O-CB 3.27Å; G58-K90 WeakPolarHBondContact O-CB 3.02Å; G58-K90 WeakPolarHBondContact O-CG 3.44Å; G58-K90 PolarHBondContact O-N 2.94Å; K90-G92 PolarHBondContact O-N 3.09Å; K90-F123 WeakPolarHBondContact O-CD2 3.39Å; K90-F123 WeakPolarHBondContact O-CE2 3.47Å
91	N	96.8	Very high	98.2	Very high	37 Å²	37	34 Å²	34	20%	0.198	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-3.1	173.9	77	-31.6	0	0	0	112.9	K89 A93 D122 F123 Y124	K89-N91 VanDerWaalsContact C-N 3.28Å; K89-N91 WeakPolarHBondContact CG-OD1 3.5Å; K89-N91 PolarHBondContact NZ-ND2 3.02Å; K89-N91 VanDerWaalsContact NZ-ND2 3.12Å; K89-N91 PolarHBondContact NZ-OD1 2.98Å; K89-N91 PolarHBondContact O-N 3.17Å; K89-N91 VanDerWaalsContact O-N 3.12Å; N91-A93 VanDerWaalsContact OD1-CB 3.28Å; N91-A93 WeakPolarHBondContact OD1-CB 3.49Å; N91-A93 PolarHBondContact OD1-N 3.3Å; N91-D122 PolarHBondContact ND2-OD2 3.34Å; N91-D122 WeakPolarHBondContact O-CB 3.4Å; N91-F123 VanDerWaalsContact O-CB 3.28Å; N91-F123 WeakPolarHBondContact O-CB 3.35Å; N91-F123 WeakPolarHBondContact O-CD2 3.16Å; N91-F123 WeakPolarHBondContact O-CG 3.42Å; N91-F123 PolarHBondContact O-N 3.25Å; N91-Y124 HydrophobicContact CB-CD2 4.29Å; N91-Y124 HydrophobicContact CB-CE2 3.84Å
92	G	98	Very high	98.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.			trans	89.7	-1.7	-177.8	0	0	0	0	0	114.2	R88 K89 K90	R88-G92 WeakPolarHBondContact CD-O 3.37Å; R88-G92 WeakPolarHBondContact CG-O 3.31Å; R88-G92 PolarHBondContact NH1-O 3.14Å; K89-G92 WeakPolarHBondContact O-CA 3.4Å; K89-G92 PolarHBondContact O-N 3.18Å; K90-G92 PolarHBondContact O-N 3.09Å
93	A	98.5	Very high	98.3	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.008	14%	0.135	C	C	.	.			trans	-71	138.5	179.7	0	0	0	0	0	111.2	H64 R88 K89 N91 I97 D122	H64-A93 PolarHBondContact NE2-O 2.68Å; R88-A93 WeakPolarHBondContact CA-O 3.27Å; K89-A93 HydrophobicContact CG-CB 4.3Å; K89-A93 PolarHBondContact N-O 3.31Å; N91-A93 VanDerWaalsContact OD1-CB 3.28Å; N91-A93 WeakPolarHBondContact OD1-CB 3.49Å; N91-A93 PolarHBondContact OD1-N 3.3Å; A93-I97 HydrophobicContact CB-CB 4.4Å; A93-I97 HydrophobicContact CB-CG2 4.2Å; A93-D122 HydrophobicContact CB-CB 4.15Å
94	T	98.7	Very high	98.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.			trans	-94.5	166.5	175.4	55.8	0	0	0	0	110.7	R88 F96 I97 V98 E120	R88-T94 HydrophobicContact CG-CG2 3.61Å; T94-F96 PolarHBondContact O-N 2.83Å; T94-I97 PolarHBondContact O-N 3.42Å; T94-I97 VanDerWaalsContact O-N 3.15Å; T94-I97 WeakPolarHBondContact OG1-CG1 3.26Å; T94-I97 PolarHBondContact OG1-N 3.12Å; T94-V98 WeakPolarHBondContact O-CG2 3.34Å; T94-V98 PolarHBondContact O-N 2.88Å; T94-E120 VanDerWaalsContact CB-OE1 3.29Å; T94-E120 WeakPolarHBondContact CB-OE1 3.31Å; T94-E120 WeakPolarHBondContact CG2-OE1 3.39Å; T94-E120 PolarHBondContact OG1-OE1 3.47Å
95	P	98.7	Very high	98.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-53.6	-36.1	168.8	-29	37.6	0	0	0	113.1	L63 V67 P85 L87 V98 A99 F111	L63-P95 HydrophobicContact CD2-CB 4.28Å; L63-P95 HydrophobicContact CD2-CG 3.8Å; L63-P95 HydrophobicContact CG-CB 4.4Å; L63-P95 HydrophobicContact CG-CG 4.16Å; V67-P95 WeakPolarHBondContact CG1-O 3.35Å; V67-P95 HydrophobicContact CG2-CB 4.25Å; P85-P95 WeakPolarHBondContact O-CG 3.41Å; L87-P95 WeakPolarHBondContact O-CD 3.49Å; P95-V98 PolarHBondContact O-N 3.1Å; P95-A99 WeakPolarHBondContact O-CB 3.48Å; P95-A99 PolarHBondContact O-N 3.04Å; P95-F111 HydrophobicContact CB-CD1 4.06Å; P95-F111 HydrophobicContact CB-CD2 4.2Å; P95-F111 HydrophobicContact CB-CE1 3.66Å; P95-F111 HydrophobicContact CB-CE2 3.81Å; P95-F111 HydrophobicContact CB-CG 4.34Å; P95-F111 HydrophobicContact CB-CZ 3.54Å
96	F	98.9	Very high	98.3	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-61.3	-45.9	175.2	176.4	-112.9	0	0	0	112.9	T94 V98 A99 A100 L108 F111 L112 A116 V118 E120 A128 L144	T94-F96 PolarHBondContact O-N 2.83Å; F96-V98 VanDerWaalsContact C-N 3.34Å; F96-V98 PolarHBondContact O-N 3.09Å; F96-A99 WeakPolarHBondContact O-CB 3.38Å; F96-A99 PolarHBondContact O-N 3.26Å; F96-A100 PolarHBondContact O-N 3.23Å; F96-L108 HydrophobicContact CD2-CD2 3.62Å; F96-L108 HydrophobicContact CE2-CB 4.1Å; F96-L108 HydrophobicContact CE2-CD2 3.44Å; F96-L108 VanDerWaalsContact CE2-CD2 3.44Å; F96-L108 HydrophobicContact CE2-CG 4.41Å; F96-L108 HydrophobicContact CG-CD2 4.42Å; F96-L108 HydrophobicContact CZ-CD2 4.13Å; F96-L108 VanDerWaalsContact O-CD2 3.27Å; F96-L108 WeakPolarHBondContact O-CD2 3.42Å; F96-F111 HydrophobicContact CB-CB 3.81Å; F96-F111 HydrophobicContact CB-CG 4.44Å; F96-F111 HydrophobicContact CD2-CB 4.02Å; F96-F111 HydrophobicContact CG-CB 4.38Å; F96-L112 HydrophobicContact CD2-CD2 4.49Å; F96-L112 HydrophobicContact CD2-CG 4.29Å; F96-L112 HydrophobicContact CE1-CD2 4.49Å; F96-L112 HydrophobicContact CE2-CD1 4.17Å; F96-L112 HydrophobicContact CE2-CD2 3.77Å; F96-L112 HydrophobicContact CE2-CG 3.6Å; F96-L112 HydrophobicContact CZ-CD2 3.76Å; F96-L112 HydrophobicContact CZ-CG 4.08Å; F96-A116 HydrophobicContact CB-CB 3.66Å; F96-A116 HydrophobicContact CD1-CB 4.08Å; F96-A116 HydrophobicContact CD2-CB 4.16Å; F96-A116 HydrophobicContact CG-CB 3.71Å; F96-V118 HydrophobicContact CZ-CG2 4.49Å; F96-E120 HydrophobicContact CD1-CG 4.14Å; F96-A128 HydrophobicContact CD1-CB 3.94Å; F96-A128 HydrophobicContact CE1-CB 3.45Å; F96-A128 VanDerWaalsContact CE1-CB 3.45Å; F96-A128 HydrophobicContact CZ-CB 3.89Å; F96-L144 HydrophobicContact CE1-CD2 4.4Å; F96-L144 HydrophobicContact CE2-CD2 4.06Å; F96-L144 HydrophobicContact CZ-CD2 3.49Å; F96-L144 VanDerWaalsContact CZ-CD2 3.49Å
97	I	98.8	Very high	98.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.7	-41.9	175.9	-65.6	171.1	0	0	0	110.4	A93 T94 A99 A100 I101 E120 D122 E131	A93-I97 HydrophobicContact CB-CB 4.4Å; A93-I97 HydrophobicContact CB-CG2 4.2Å; T94-I97 PolarHBondContact O-N 3.42Å; T94-I97 VanDerWaalsContact O-N 3.15Å; T94-I97 WeakPolarHBondContact OG1-CG1 3.26Å; T94-I97 PolarHBondContact OG1-N 3.12Å; I97-A99 VanDerWaalsContact C-N 3.3Å; I97-A99 PolarHBondContact O-N 3.24Å; I97-A100 WeakPolarHBondContact O-CB 3.37Å; I97-A100 PolarHBondContact O-N 3.44Å; I97-A100 VanDerWaalsContact O-N 3.12Å; I97-I101 PolarHBondContact O-N 2.72Å; I97-E120 HydrophobicContact CD1-CG 4.22Å; I97-E120 HydrophobicContact CG1-CG 4.33Å; I97-D122 HydrophobicContact CD1-CB 4.4Å; I97-E131 HydrophobicContact CG2-CG 3.75Å
98	V	98.7	Very high	98.4	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.012	13%	0.126	C	C	.	.	H	α-helix	trans	-64.5	-33.9	177.1	-179.3	0	0	0	0	111.9	V67 Q68 T94 P95 F96 A100 I101 A102	V67-V98 HydrophobicContact CB-CG1 4.23Å; V67-V98 HydrophobicContact CG1-CB 4.01Å; V67-V98 HydrophobicContact CG1-CG1 3.89Å; Q68-V98 HydrophobicContact CB-CG1 3.91Å; T94-V98 WeakPolarHBondContact O-CG2 3.34Å; T94-V98 PolarHBondContact O-N 2.88Å; P95-V98 PolarHBondContact O-N 3.1Å; F96-V98 VanDerWaalsContact C-N 3.34Å; F96-V98 PolarHBondContact O-N 3.09Å; V98-A100 PolarHBondContact O-N 3Å; V98-I101 WeakPolarHBondContact O-CB 3.37Å; V98-I101 PolarHBondContact O-N 3.09Å; V98-A102 PolarHBondContact O-N 2.74Å
99	A	98.7	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.5	-30.8	174.9	0	0	0	0	0	112.4	V67 P95 F96 I97 A102 G103 N104 L107 L108 F111	V67-A99 HydrophobicContact CG1-CB 3.71Å; V67-A99 VanDerWaalsContact CG1-N 3.32Å; P95-A99 WeakPolarHBondContact O-CB 3.48Å; P95-A99 PolarHBondContact O-N 3.04Å; F96-A99 WeakPolarHBondContact O-CB 3.38Å; F96-A99 PolarHBondContact O-N 3.26Å; I97-A99 VanDerWaalsContact C-N 3.3Å; I97-A99 PolarHBondContact O-N 3.24Å; A99-A102 PolarHBondContact O-N 2.9Å; A99-G103 PolarHBondContact O-N 3.17Å; A99-N104 PolarHBondContact O-N 3.18Å; A99-N104 VanDerWaalsContact O-N 3.09Å; A99-L107 HydrophobicContact CB-CB 3.72Å; A99-L108 HydrophobicContact CB-CD2 3.81Å; A99-L108 HydrophobicContact CB-CG 3.98Å; A99-F111 HydrophobicContact CB-CD2 4.24Å; A99-F111 HydrophobicContact CB-CE2 4.4Å
100	A	98.7	Very high	98.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-72.9	-39.4	174.4	0	0	0	0	0	112.4	F96 I97 V98 A102 G103 L108 A128 E131 A132 H137 L144	F96-A100 PolarHBondContact O-N 3.23Å; I97-A100 WeakPolarHBondContact O-CB 3.37Å; I97-A100 PolarHBondContact O-N 3.44Å; I97-A100 VanDerWaalsContact O-N 3.12Å; V98-A100 PolarHBondContact O-N 3Å; A100-A102 PolarHBondContact O-N 3.48Å; A100-G103 PolarHBondContact O-N 2.84Å; A100-L108 HydrophobicContact CB-CD2 3.97Å; A100-A128 HydrophobicContact CB-CB 3.75Å; A100-A128 WeakPolarHBondContact CB-O 3.32Å; A100-E131 HydrophobicContact CB-CB 4.22Å; A100-A132 HydrophobicContact CB-CB 4.33Å; A100-H137 PolarHBondContact O-CD2 3.4Å; A100-L144 HydrophobicContact CB-CD1 4.26Å
101	I	98.4	Very high	98.5	Very high	34 Å²	34	20.8 Å²	20.8	17%	0.174	11%	0.111	C	C	.	.	H	α-helix	trans	-57.7	-37.8	171.2	-65.3	173.1	0	0	0	110.8	I97 V98 G103 E131 Y135 H137	I97-I101 PolarHBondContact O-N 2.72Å; V98-I101 WeakPolarHBondContact O-CB 3.37Å; V98-I101 PolarHBondContact O-N 3.09Å; I101-G103 VanDerWaalsContact C-N 3.33Å; I101-E131 HydrophobicContact CD1-CG 4.21Å; I101-E131 HydrophobicContact CG1-CB 3.67Å; I101-E131 HydrophobicContact CG1-CG 3.77Å; I101-Y135 HydrophobicContact CB-CD2 4.23Å; I101-Y135 HydrophobicContact CB-CE2 4.11Å; I101-Y135 HydrophobicContact CD1-CE2 4.47Å; I101-Y135 HydrophobicContact CG1-CD2 4.18Å; I101-Y135 HydrophobicContact CG1-CE2 3.84Å; I101-Y135 HydrophobicContact CG2-CD1 4.37Å; I101-Y135 HydrophobicContact CG2-CD2 3.94Å; I101-Y135 HydrophobicContact CG2-CE1 4.02Å; I101-Y135 HydrophobicContact CG2-CE2 3.58Å; I101-Y135 HydrophobicContact CG2-CG 4.33Å; I101-H137 PolarHBondContact O-CD2 2.97Å; I101-H137 VanDerWaalsContact O-CD2 3.32Å; I101-H137 PolarHBondContact O-NE2 3.46Å
102	A	97.9	Very high	98.6	Very high	24 Å²	24	20.8 Å²	20.8	20%	0.198	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-12.6	177.9	0	0	0	0	0	113.3	S70 V98 A99 A100 N104	S70-A102 WeakPolarHBondContact OG-CB 3.28Å; V98-A102 PolarHBondContact O-N 2.74Å; A99-A102 PolarHBondContact O-N 2.9Å; A100-A102 PolarHBondContact O-N 3.48Å; A102-N104 VanDerWaalsContact C-N 3.27Å; A102-N104 PolarHBondContact O-N 3.5Å
103	G	98.1	Very high	98.6	Very high	18 Å²	18	25 Å²	25	19%	0.186	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	14	-178.9	0	0	0	0	0	115	A99 A100 I101 V105 H137	A99-G103 PolarHBondContact O-N 3.17Å; A100-G103 PolarHBondContact O-N 2.84Å; I101-G103 VanDerWaalsContact C-N 3.33Å; G103-V105 PolarHBondContact O-N 3.31Å; G103-H137 VanDerWaalsContact CA-CD2 3.4Å; G103-H137 WeakPolarHBondContact CA-CD2 3.08Å; G103-H137 VanDerWaalsContact CA-CG 3.44Å; G103-H137 PolarHBondContact N-CD2 3.14Å; G103-H137 VanDerWaalsContact N-CD2 3.34Å
104	N	98.5	Very high	98.5	Very high	23 Å²	23	29.9 Å²	29.9	12%	0.123	16%	0.161	C	C	.	.			trans	-86.9	101.4	-176.1	-170.9	-31	0	0	0	111.5	E72 A99 A102 K106 L107 L108	E72-N104 PolarHBondContact OE1-ND2 2.91Å; E72-N104 PolarHBondContact OE1-OD1 2.97Å; A99-N104 PolarHBondContact O-N 3.18Å; A99-N104 VanDerWaalsContact O-N 3.09Å; A102-N104 VanDerWaalsContact C-N 3.27Å; A102-N104 PolarHBondContact O-N 3.5Å; N104-K106 VanDerWaalsContact C-N 3.31Å; N104-K106 PolarHBondContact O-N 3.03Å; N104-K106 WeakPolarHBondContact OD1-CB 3.33Å; N104-K106 PolarHBondContact OD1-N 3.25Å; N104-L107 HydrophobicContact CB-CB 4.14Å; N104-L107 HydrophobicContact CB-CD1 4.04Å; N104-L107 HydrophobicContact CB-CG 4.13Å; N104-L107 PolarHBondContact O-N 3.19Å; N104-L107 PolarHBondContact OD1-N 3.02Å; N104-L107 VanDerWaalsContact OD1-N 3.17Å; N104-L108 WeakPolarHBondContact O-CG 3.41Å; N104-L108 PolarHBondContact O-N 3.16Å
105	V	98.7	Very high	98.4	Very high	40 Å²	40	32.9 Å²	32.9	24%	0.242	19%	0.192	C	C	.	.	H	α-helix	trans	-59.8	-36	179.2	172.1	0	0	0	0	113.3	G103 L108 E109 K139 F143	G103-V105 PolarHBondContact O-N 3.31Å; V105-L108 WeakPolarHBondContact O-CB 3.34Å; V105-L108 PolarHBondContact O-N 3.01Å; V105-E109 WeakPolarHBondContact O-CB 3.42Å; V105-E109 PolarHBondContact O-N 2.76Å; V105-K139 HydrophobicContact CG2-CB 4Å; V105-F143 HydrophobicContact CG1-CB 4.04Å; V105-F143 HydrophobicContact CG1-CD1 4.29Å; V105-F143 HydrophobicContact CG1-CD2 3.4Å; V105-F143 HydrophobicContact CG1-CE2 3.76Å; V105-F143 HydrophobicContact CG1-CG 3.66Å; V105-F143 HydrophobicContact CG1-CZ 4.39Å; V105-F143 HydrophobicContact CG2-CB 4.1Å; V105-F143 HydrophobicContact CG2-CG 4.46Å
106	K	98.6	Very high	98.4	Very high	127 Å²	127	33.5 Å²	33.5	55%	0.552	20%	0.197	S	C	*	.	H	α-helix	trans	-69.6	-38.4	179.9	-66.8	173.3	177.4	174.8	0	111.5	E72 N104 E109 L110	E72-K106 VanDerWaalsContact CD-CD 3.47Å; E72-K106 VanDerWaalsContact OE1-CD 3.3Å; E72-K106 WeakPolarHBondContact OE1-CD 3.33Å; E72-K106 IonicContact OE1-NZ 2.67Å; E72-K106 WeakPolarHBondContact OE2-CD 3.34Å; E72-K106 IonicContact OE2-NZ 3.74Å; E72-K106 PolarHBondContact OE2-NZ 3.42Å; N104-K106 VanDerWaalsContact C-N 3.31Å; N104-K106 PolarHBondContact O-N 3.03Å; N104-K106 WeakPolarHBondContact OD1-CB 3.33Å; N104-K106 PolarHBondContact OD1-N 3.25Å; K106-E109 PolarHBondContact O-N 3.15Å; K106-L110 WeakPolarHBondContact O-CB 3.45Å; K106-L110 PolarHBondContact O-N 3.23Å
107	L	98.6	Very high	98.3	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	22%	0.22	C	C	.	.	H	α-helix	trans	-67.3	-39.3	173.8	-68.2	-177.9	0	0	0	111.4	V67 E72 V75 A99 N104 E109 L110 F111	V67-L107 HydrophobicContact CB-CD1 4.49Å; V67-L107 HydrophobicContact CG1-CD1 4.11Å; E72-L107 HydrophobicContact CB-CD2 4.49Å; E72-L107 HydrophobicContact CG-CD2 3.86Å; E72-L107 HydrophobicContact CG-CG 4.03Å; V75-L107 HydrophobicContact CB-CD2 4.1Å; V75-L107 HydrophobicContact CG1-CD2 3.88Å; V75-L107 HydrophobicContact CG2-CD1 4.45Å; V75-L107 HydrophobicContact CG2-CD2 4.08Å; A99-L107 HydrophobicContact CB-CB 3.72Å; N104-L107 HydrophobicContact CB-CB 4.14Å; N104-L107 HydrophobicContact CB-CD1 4.04Å; N104-L107 HydrophobicContact CB-CG 4.13Å; N104-L107 PolarHBondContact O-N 3.19Å; N104-L107 PolarHBondContact OD1-N 3.02Å; N104-L107 VanDerWaalsContact OD1-N 3.17Å; L107-E109 VanDerWaalsContact C-N 3.33Å; L107-E109 PolarHBondContact O-N 3Å; L107-L110 HydrophobicContact CD2-CD2 4.2Å; L107-L110 PolarHBondContact O-N 3.22Å; L107-F111 HydrophobicContact CB-CD2 4.48Å; L107-F111 HydrophobicContact CB-CE2 4.22Å; L107-F111 WeakPolarHBondContact O-CD2 3.4Å; L107-F111 PolarHBondContact O-N 3.49Å
108	L	98.8	Very high	98.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59	-45.1	171.9	-70.3	170.9	0	0	0	111.8	F96 A99 A100 N104 V105 L112 A140 F143 L144	F96-L108 HydrophobicContact CD2-CD2 3.62Å; F96-L108 HydrophobicContact CE2-CB 4.1Å; F96-L108 HydrophobicContact CE2-CD2 3.44Å; F96-L108 VanDerWaalsContact CE2-CD2 3.44Å; F96-L108 HydrophobicContact CE2-CG 4.41Å; F96-L108 HydrophobicContact CG-CD2 4.42Å; F96-L108 HydrophobicContact CZ-CD2 4.13Å; F96-L108 VanDerWaalsContact O-CD2 3.27Å; F96-L108 WeakPolarHBondContact O-CD2 3.42Å; A99-L108 HydrophobicContact CB-CD2 3.81Å; A99-L108 HydrophobicContact CB-CG 3.98Å; A100-L108 HydrophobicContact CB-CD2 3.97Å; N104-L108 WeakPolarHBondContact O-CG 3.41Å; N104-L108 PolarHBondContact O-N 3.16Å; V105-L108 WeakPolarHBondContact O-CB 3.34Å; V105-L108 PolarHBondContact O-N 3.01Å; L108-L112 VanDerWaalsContact O-CG 3.31Å; L108-L112 WeakPolarHBondContact O-CG 3.15Å; L108-L112 PolarHBondContact O-N 3.38Å; L108-L112 VanDerWaalsContact O-N 3.09Å; L108-A140 HydrophobicContact CD1-CB 3.8Å; L108-F143 HydrophobicContact CB-CD1 4.05Å; L108-F143 HydrophobicContact CB-CE1 3.65Å; L108-F143 HydrophobicContact CB-CZ 4.5Å; L108-F143 HydrophobicContact CD1-CD1 4.24Å; L108-L144 HydrophobicContact CD1-CD1 4.19Å; L108-L144 HydrophobicContact CD1-CD2 4.35Å; L108-L144 HydrophobicContact CD1-CG 4.14Å; L108-L144 HydrophobicContact CD2-CD2 4.26Å
109	E	98.6	Very high	98.3	Very high	91 Å²	91	40.9 Å²	40.9	43%	0.425	24%	0.237	S	C	.	.	H	α-helix	trans	-62.5	-44.2	175.5	-177.1	159.7	-131.4	0	0	112.6	V105 K106 L107 L112 S113 F143 R147	V105-E109 WeakPolarHBondContact O-CB 3.42Å; V105-E109 PolarHBondContact O-N 2.76Å; K106-E109 PolarHBondContact O-N 3.15Å; L107-E109 VanDerWaalsContact C-N 3.33Å; L107-E109 PolarHBondContact O-N 3Å; E109-L112 PolarHBondContact O-N 2.98Å; E109-S113 PolarHBondContact O-N 2.81Å; E109-S113 VanDerWaalsContact O-N 3.08Å; E109-F143 HydrophobicContact CB-CE2 4.18Å; E109-F143 HydrophobicContact CB-CZ 3.68Å; E109-F143 HydrophobicContact CG-CZ 4.37Å; E109-R147 IonicContact OE1-CZ 2.72Å; E109-R147 IonicContact OE1-NH1 2.59Å; E109-R147 IonicContact OE1-NH2 3.35Å; E109-R147 PolarHBondContact OE1-NH2 3.09Å
110	L	98.4	Very high	98.3	Very high	36 Å²	36	42.1 Å²	42.1	19%	0.188	24%	0.243	C	C	.	.	H	α-helix	trans	-57.8	-52.6	176.7	176.3	62.5	0	0	0	110.9	V75 L79 K106 L107 L112 S113 K114	V75-L110 HydrophobicContact CG1-CD2 3.81Å; L79-L110 HydrophobicContact CD1-CD2 3.81Å; L79-L110 HydrophobicContact CD1-CG 4.35Å; K106-L110 WeakPolarHBondContact O-CB 3.45Å; K106-L110 PolarHBondContact O-N 3.23Å; L107-L110 HydrophobicContact CD2-CD2 4.2Å; L107-L110 PolarHBondContact O-N 3.22Å; L110-L112 PolarHBondContact O-N 3.37Å; L110-S113 WeakPolarHBondContact O-CA 3.32Å; L110-S113 WeakPolarHBondContact O-CB 3.22Å; L110-S113 PolarHBondContact O-N 3.35Å; L110-S113 VanDerWaalsContact O-N 3.08Å; L110-S113 PolarHBondContact O-OG 3.43Å; L110-K114 HydrophobicContact CD1-CG 4.43Å; L110-K114 WeakPolarHBondContact O-CG 3.27Å; L110-K114 PolarHBondContact O-N 3.16Å; L110-K114 VanDerWaalsContact O-N 3.11Å
111	F	98.7	Very high	98.3	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	26%	0.258	C	S	.	.	H	α-helix	trans	-69.9	-31.3	-176.4	-66.6	-59.4	0	0	0	113.3	L63 V67 V75 L79 P85 P95 F96 A99 L107 S113 K114 G115 A116	L63-F111 HydrophobicContact CD1-CE1 4.47Å; L63-F111 HydrophobicContact CD1-CZ 4.22Å; L63-F111 HydrophobicContact CD2-CE1 4.24Å; V67-F111 HydrophobicContact CG1-CE2 4.17Å; V67-F111 HydrophobicContact CG2-CE2 3.46Å; V67-F111 VanDerWaalsContact CG2-CE2 3.46Å; V67-F111 HydrophobicContact CG2-CZ 3.42Å; V67-F111 VanDerWaalsContact CG2-CZ 3.42Å; V75-F111 HydrophobicContact CG1-CZ 3.93Å; L79-F111 HydrophobicContact CD1-CE1 4.47Å; P85-F111 HydrophobicContact CB-CD1 4.16Å; P85-F111 HydrophobicContact CB-CE1 4.36Å; P95-F111 HydrophobicContact CB-CD1 4.06Å; P95-F111 HydrophobicContact CB-CD2 4.2Å; P95-F111 HydrophobicContact CB-CE1 3.66Å; P95-F111 HydrophobicContact CB-CE2 3.81Å; P95-F111 HydrophobicContact CB-CG 4.34Å; P95-F111 HydrophobicContact CB-CZ 3.54Å; F96-F111 HydrophobicContact CB-CB 3.81Å; F96-F111 HydrophobicContact CB-CG 4.44Å; F96-F111 HydrophobicContact CD2-CB 4.02Å; F96-F111 HydrophobicContact CG-CB 4.38Å; A99-F111 HydrophobicContact CB-CD2 4.24Å; A99-F111 HydrophobicContact CB-CE2 4.4Å; L107-F111 HydrophobicContact CB-CD2 4.48Å; L107-F111 HydrophobicContact CB-CE2 4.22Å; L107-F111 WeakPolarHBondContact O-CD2 3.4Å; L107-F111 PolarHBondContact O-N 3.49Å; F111-S113 VanDerWaalsContact C-N 3.31Å; F111-S113 PolarHBondContact O-N 2.94Å; F111-K114 CarbonylContact O-C 3.52Å; F111-K114 WeakPolarHBondContact O-CA 3.4Å; F111-K114 PolarHBondContact O-N 2.74Å; F111-G115 PolarHBondContact O-N 3.34Å; F111-A116 HydrophobicContact CB-CB 4.28Å; F111-A116 VanDerWaalsContact O-CB 3.29Å; F111-A116 WeakPolarHBondContact O-CB 3.46Å; F111-A116 PolarHBondContact O-N 2.67Å
112	L	98.5	Very high	98.3	Very high	36 Å²	36	43.1 Å²	43.1	19%	0.188	25%	0.252	C	S	.	.	H	α-helix	trans	-59.2	-43	168.1	-73.2	173.4	0	0	0	111.2	F96 L108 E109 L110 K114 G115 A116 V118 F143 R147	F96-L112 HydrophobicContact CD2-CD2 4.49Å; F96-L112 HydrophobicContact CD2-CG 4.29Å; F96-L112 HydrophobicContact CE1-CD2 4.49Å; F96-L112 HydrophobicContact CE2-CD1 4.17Å; F96-L112 HydrophobicContact CE2-CD2 3.77Å; F96-L112 HydrophobicContact CE2-CG 3.6Å; F96-L112 HydrophobicContact CZ-CD2 3.76Å; F96-L112 HydrophobicContact CZ-CG 4.08Å; L108-L112 VanDerWaalsContact O-CG 3.31Å; L108-L112 WeakPolarHBondContact O-CG 3.15Å; L108-L112 PolarHBondContact O-N 3.38Å; L108-L112 VanDerWaalsContact O-N 3.09Å; E109-L112 PolarHBondContact O-N 2.98Å; L110-L112 PolarHBondContact O-N 3.37Å; L112-K114 PolarHBondContact O-N 3.33Å; L112-G115 PolarHBondContact O-N 3.43Å; L112-A116 WeakPolarHBondContact CD2-O 3.36Å; L112-V118 HydrophobicContact CD2-CB 4.14Å; L112-F143 HydrophobicContact CD1-CE1 3.93Å; L112-F143 HydrophobicContact CD1-CZ 4.19Å; L112-R147 HydrophobicContact CD1-CB 4.12Å; L112-R147 HydrophobicContact CD1-CG 3.88Å
113	S	98.2	Very high	98.3	Very high	89 Å²	89	46.9 Å²	46.9	62%	0.622	26%	0.264	S	S	*	.	H	α-helix	trans	-66.3	-19.3	175.9	82.5	0	0	0	0	113.6	E109 L110 F111	E109-S113 PolarHBondContact O-N 2.81Å; E109-S113 VanDerWaalsContact O-N 3.08Å; L110-S113 WeakPolarHBondContact O-CA 3.32Å; L110-S113 WeakPolarHBondContact O-CB 3.22Å; L110-S113 PolarHBondContact O-N 3.35Å; L110-S113 VanDerWaalsContact O-N 3.08Å; L110-S113 PolarHBondContact O-OG 3.43Å; F111-S113 VanDerWaalsContact C-N 3.31Å; F111-S113 PolarHBondContact O-N 2.94Å
114	K	97.5	Very high	98.2	Very high	104 Å²	104	50.3 Å²	50.3	45%	0.452	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	10.3	177.4	-62.3	-69.5	-178.7	172.7	0	113.4	P85 L110 F111 L112	P85-K114 HydrophobicContact CB-CB 3.77Å; P85-K114 HydrophobicContact CB-CG 4.29Å; P85-K114 HydrophobicContact CG-CB 3.96Å; L110-K114 HydrophobicContact CD1-CG 4.43Å; L110-K114 WeakPolarHBondContact O-CG 3.27Å; L110-K114 PolarHBondContact O-N 3.16Å; L110-K114 VanDerWaalsContact O-N 3.11Å; F111-K114 CarbonylContact O-C 3.52Å; F111-K114 WeakPolarHBondContact O-CA 3.4Å; F111-K114 PolarHBondContact O-N 2.74Å; L112-K114 PolarHBondContact O-N 3.33Å
115	G	95.9	Very high	98.2	Very high	63 Å²	63	49.4 Å²	49.4	65%	0.649	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.5	10.1	171.1	0	0	0	0	0	115.7	F111 L112	F111-G115 PolarHBondContact O-N 3.34Å; L112-G115 PolarHBondContact O-N 3.43Å
116	A	98.2	Very high	98.2	Very high	12 Å²	12	49.8 Å²	49.8	10%	0.099	27%	0.266	C	S	.	.			trans	-65.1	140.2	168.5	0	0	0	0	0	110.7	F96 F111 L112	F96-A116 HydrophobicContact CB-CB 3.66Å; F96-A116 HydrophobicContact CD1-CB 4.08Å; F96-A116 HydrophobicContact CD2-CB 4.16Å; F96-A116 HydrophobicContact CG-CB 3.71Å; F111-A116 HydrophobicContact CB-CB 4.28Å; F111-A116 VanDerWaalsContact O-CB 3.29Å; F111-A116 WeakPolarHBondContact O-CB 3.46Å; F111-A116 PolarHBondContact O-N 2.67Å; L112-A116 WeakPolarHBondContact CD2-O 3.36Å
117	D	98.4	Very high	98.2	Very high	92 Å²	92	43.9 Å²	43.9	49%	0.492	24%	0.241	S	C	.	.			trans	-89.3	134.4	171.4	178.4	-93.9	0	0	0	110	N119 E120	D117-N119 PolarHBondContact O-N 2.9Å; D117-N119 VanDerWaalsContact O-N 3.11Å; D117-N119 VanDerWaalsContact OD1-C 3.3Å; D117-N119 VanDerWaalsContact OD1-CA 3.31Å; D117-N119 WeakPolarHBondContact OD1-CA 3.37Å; D117-N119 WeakPolarHBondContact OD1-CB 3.43Å; D117-N119 PolarHBondContact OD1-N 3.3Å; D117-E120 HydrophobicContact CB-CB 4.25Å; D117-E120 WeakPolarHBondContact O-CB 3.45Å; D117-E120 VanDerWaalsContact O-CG 3.28Å; D117-E120 WeakPolarHBondContact O-CG 3.26Å; D117-E120 PolarHBondContact O-N 2.87Å; D117-E120 PolarHBondContact OD1-N 3.33Å; D117-E120 VanDerWaalsContact OD1-N 3.16Å
118	V	98.4	Very high	98.2	Very high	16 Å²	16	43.8 Å²	43.8	10%	0.097	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-25.2	-176.1	70.2	0	0	0	0	113.3	F96 L112 L144 R147 A149	F96-V118 HydrophobicContact CZ-CG2 4.49Å; L112-V118 HydrophobicContact CD2-CB 4.14Å; V118-L144 HydrophobicContact CG2-CD2 4.15Å; V118-R147 HydrophobicContact CG2-CB 4.09Å; V118-A149 HydrophobicContact CG2-CB 4Å
119	N	98.6	Very high	98.2	Very high	50 Å²	50	43.8 Å²	43.8	27%	0.267	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	12.4	-179.6	-68.5	-59.7	0	0	0	112.7	D117 G148 A149 N150 L153	D117-N119 PolarHBondContact O-N 2.9Å; D117-N119 VanDerWaalsContact O-N 3.11Å; D117-N119 VanDerWaalsContact OD1-C 3.3Å; D117-N119 VanDerWaalsContact OD1-CA 3.31Å; D117-N119 WeakPolarHBondContact OD1-CA 3.37Å; D117-N119 WeakPolarHBondContact OD1-CB 3.43Å; D117-N119 PolarHBondContact OD1-N 3.3Å; N119-G148 PolarHBondContact ND2-O 3.07Å; N119-A149 WeakPolarHBondContact OD1-CA 3.45Å; N119-N150 PolarHBondContact OD1-N 2.74Å; N119-L153 HydrophobicContact CB-CD1 4.31Å
120	E	98.4	Very high	98.2	Very high	26 Å²	26	39.6 Å²	39.6	12%	0.121	22%	0.221	C	C	.	.			trans	-61.9	150	172.1	78.2	178.5	177.9	0	0	110.8	R88 T94 F96 I97 D117 T127	R88-E120 IonicContact NH2-OE2 3.96Å; R88-E120 PolarHBondContact NH2-OE2 3.32Å; R88-E120 VanDerWaalsContact NH2-OE2 3.11Å; T94-E120 VanDerWaalsContact CB-OE1 3.29Å; T94-E120 WeakPolarHBondContact CB-OE1 3.31Å; T94-E120 WeakPolarHBondContact CG2-OE1 3.39Å; T94-E120 PolarHBondContact OG1-OE1 3.47Å; F96-E120 HydrophobicContact CD1-CG 4.14Å; I97-E120 HydrophobicContact CD1-CG 4.22Å; I97-E120 HydrophobicContact CG1-CG 4.33Å; D117-E120 HydrophobicContact CB-CB 4.25Å; D117-E120 WeakPolarHBondContact O-CB 3.45Å; D117-E120 VanDerWaalsContact O-CG 3.28Å; D117-E120 WeakPolarHBondContact O-CG 3.26Å; D117-E120 PolarHBondContact O-N 2.87Å; D117-E120 PolarHBondContact OD1-N 3.33Å; D117-E120 VanDerWaalsContact OD1-N 3.16Å; E120-T127 WeakPolarHBondContact O-CA 3.36Å
121	C	98.4	Very high	98.2	Very high	49 Å²	49	38.7 Å²	38.7	33%	0.331	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-133.6	160.2	179.9	70.6	0	0	0	0	112.3	R88 F126 T127	R88-C121 PolarHBondContact NH1-O 3.04Å; C121-F126 CarbonylContact C-O 3.54Å; C121-F126 WeakPolarHBondContact CA-O 3.22Å; C121-F126 WeakPolarHBondContact CB-O 3.12Å; C121-T127 HydrophobicContact CB-CG2 3.93Å
122	D	98.4	Very high	98.2	Very high	7 Å²	7	38.6 Å²	38.6	4%	0.037	22%	0.215	C	C	.	.			trans	-74.8	-178.6	168.9	86.3	-11.8	0	0	0	111.8	N91 A93 I97 Y124 G125 F126	N91-D122 PolarHBondContact ND2-OD2 3.34Å; N91-D122 WeakPolarHBondContact O-CB 3.4Å; A93-D122 HydrophobicContact CB-CB 4.15Å; I97-D122 HydrophobicContact CD1-CB 4.4Å; D122-Y124 PolarHBondContact O-N 3.43Å; D122-Y124 WeakPolarHBondContact OD1-CA 3.3Å; D122-Y124 PolarHBondContact OD1-N 3.36Å; D122-G125 PolarHBondContact O-N 2.85Å; D122-G125 PolarHBondContact OD1-N 3.36Å; D122-F126 PolarHBondContact N-O 3.1Å; D122-F126 PolarHBondContact OD1-N 3.05Å
123	F	97.9	Very high	98.2	Very high	102 Å²	102	36.9 Å²	36.9	45%	0.447	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-6.1	-178.1	-59.5	-32.2	0	0	0	114.4	K90 N91	K90-F123 WeakPolarHBondContact O-CD2 3.39Å; K90-F123 WeakPolarHBondContact O-CE2 3.47Å; N91-F123 VanDerWaalsContact O-CB 3.28Å; N91-F123 WeakPolarHBondContact O-CB 3.35Å; N91-F123 WeakPolarHBondContact O-CD2 3.16Å; N91-F123 WeakPolarHBondContact O-CG 3.42Å; N91-F123 PolarHBondContact O-N 3.25Å
124	Y	97.1	Very high	98.2	Very high	90 Å²	90	33.9 Å²	33.9	35%	0.353	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	2.2	173.1	-56.6	-67	0	0	0	112.1	N91 D122 K156 Q161	N91-Y124 HydrophobicContact CB-CD2 4.29Å; N91-Y124 HydrophobicContact CB-CE2 3.84Å; D122-Y124 PolarHBondContact O-N 3.43Å; D122-Y124 WeakPolarHBondContact OD1-CA 3.3Å; D122-Y124 PolarHBondContact OD1-N 3.36Å; Y124-K156 CarbonylContact C-O 3.55Å; Y124-Q161 VanDerWaalsContact CE1-NE2 3.32Å
125	G	97.9	Very high	98.3	Very high	4 Å²	4	34.6 Å²	34.6	4%	0.041	19%	0.185	C	C	.	.			trans	87.3	9.5	176.5	0	0	0	0	0	114.5	D122 T127 R155 K156	D122-G125 PolarHBondContact O-N 2.85Å; D122-G125 PolarHBondContact OD1-N 3.36Å; G125-T127 PolarHBondContact O-N 3.46Å; G125-R155 WeakPolarHBondContact O-CG 3.37Å; G125-K156 VanDerWaalsContact CA-O 3.24Å; G125-K156 WeakPolarHBondContact CA-O 3.21Å; G125-K156 PolarHBondContact N-O 2.88Å
126	F	98.7	Very high	98.4	Very high	48 Å²	48	32.5 Å²	32.5	21%	0.211	16%	0.164	C	C	.	.			trans	-73	122	176.1	-74.4	-91	0	0	0	110.6	C121 D122 M130 E131 V134	C121-F126 CarbonylContact C-O 3.54Å; C121-F126 WeakPolarHBondContact CA-O 3.22Å; C121-F126 WeakPolarHBondContact CB-O 3.12Å; D122-F126 PolarHBondContact N-O 3.1Å; D122-F126 PolarHBondContact OD1-N 3.05Å; F126-M130 HydrophobicContact CD1-CB 4.37Å; F126-E131 HydrophobicContact CB-CG 4.37Å; F126-E131 WeakPolarHBondContact CB-OE1 3.37Å; F126-V134 HydrophobicContact CE1-CG2 4.39Å
127	T	98.8	Very high	98.4	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-93	162.9	170.9	65.7	0	0	0	0	110.5	E120 C121 G125 F129 M130 E131 L153	E120-T127 WeakPolarHBondContact O-CA 3.36Å; C121-T127 HydrophobicContact CB-CG2 3.93Å; G125-T127 PolarHBondContact O-N 3.46Å; T127-F129 PolarHBondContact O-N 3.43Å; T127-F129 PolarHBondContact OG1-N 2.91Å; T127-M130 PolarHBondContact O-N 2.89Å; T127-M130 VanDerWaalsContact O-N 3.09Å; T127-M130 WeakPolarHBondContact OG1-CG 3.45Å; T127-M130 PolarHBondContact OG1-N 3.43Å; T127-E131 WeakPolarHBondContact O-CG 3.41Å; T127-E131 PolarHBondContact O-N 2.91Å; T127-L153 HydrophobicContact CG2-CD1 3.97Å
128	A	98.8	Very high	98.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-51.9	-38.6	170.8	0	0	0	0	0	112.3	F96 A100 E131 A132 L144	F96-A128 HydrophobicContact CD1-CB 3.94Å; F96-A128 HydrophobicContact CE1-CB 3.45Å; F96-A128 VanDerWaalsContact CE1-CB 3.45Å; F96-A128 HydrophobicContact CZ-CB 3.89Å; A100-A128 HydrophobicContact CB-CB 3.75Å; A100-A128 WeakPolarHBondContact CB-O 3.32Å; A128-E131 PolarHBondContact O-N 3.48Å; A128-A132 WeakPolarHBondContact O-CB 3.4Å; A128-A132 PolarHBondContact O-N 2.97Å; A128-L144 HydrophobicContact CB-CD1 3.93Å; A128-L144 HydrophobicContact CB-CD2 4.06Å; A128-L144 WeakPolarHBondContact O-CD1 3.3Å
129	F	98.9	Very high	98.4	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	19%	0.192	C	C	.	.	H	α-helix	trans	-66	-41.1	178.8	-172.4	-96.7	0	0	0	112.7	T127 A133 V141 L144 A149 V151 A171 L187 M191	T127-F129 PolarHBondContact O-N 3.43Å; T127-F129 PolarHBondContact OG1-N 2.91Å; F129-A133 PolarHBondContact O-N 2.47Å; F129-A133 VanDerWaalsContact O-N 3.17Å; F129-V141 HydrophobicContact CE2-CG1 3.74Å; F129-V141 HydrophobicContact CZ-CG1 3.99Å; F129-L144 HydrophobicContact CB-CD1 4.47Å; F129-L144 HydrophobicContact CD2-CB 3.91Å; F129-A149 HydrophobicContact CB-CB 3.88Å; F129-A149 HydrophobicContact CD2-CB 3.69Å; F129-A149 HydrophobicContact CE2-CB 4.49Å; F129-A149 HydrophobicContact CG-CB 3.94Å; F129-V151 HydrophobicContact CE1-CB 4.17Å; F129-V151 HydrophobicContact CE1-CG1 4.02Å; F129-V151 HydrophobicContact CE1-CG2 4.2Å; F129-V151 HydrophobicContact CZ-CB 4.33Å; F129-V151 HydrophobicContact CZ-CG1 4.2Å; F129-V151 HydrophobicContact CZ-CG2 3.88Å; F129-A171 HydrophobicContact CD1-CB 3.69Å; F129-A171 HydrophobicContact CE1-CB 3.68Å; F129-L187 HydrophobicContact CE1-CD2 3.66Å; F129-L187 HydrophobicContact CZ-CD2 3.43Å; F129-L187 VanDerWaalsContact CZ-CD2 3.43Å; F129-M191 HydrophobicContact CE2-SD 4.02Å; F129-M191 HydrophobicContact CZ-SD 3.83Å
130	M	98.8	Very high	98.4	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.015	18%	0.179	C	C	.	.	H	α-helix	trans	-65	-45.8	174.3	-68.3	174.8	-176.6	0	0	111.2	F126 T127 A132 A133 V134 L153 R155 A171	F126-M130 HydrophobicContact CD1-CB 4.37Å; T127-M130 PolarHBondContact O-N 2.89Å; T127-M130 VanDerWaalsContact O-N 3.09Å; T127-M130 WeakPolarHBondContact OG1-CG 3.45Å; T127-M130 PolarHBondContact OG1-N 3.43Å; M130-A132 PolarHBondContact O-N 3.36Å; M130-A133 CarbonylContact O-C 3.41Å; M130-A133 WeakPolarHBondContact O-CA 3.34Å; M130-A133 WeakPolarHBondContact O-CB 3.5Å; M130-A133 PolarHBondContact O-N 3.48Å; M130-V134 VanDerWaalsContact O-CG2 3.31Å; M130-V134 WeakPolarHBondContact O-CG2 2.98Å; M130-V134 PolarHBondContact O-N 2.79Å; M130-L153 HydrophobicContact CE-CB 3.81Å; M130-L153 WeakPolarHBondContact CE-O 3.29Å; M130-R155 HydrophobicContact CE-CG 3.98Å; M130-R155 HydrophobicContact SD-CG 3.45Å; M130-R155 WeakPolarHBondContact SD-CG 3.35Å; M130-A171 HydrophobicContact CG-CB 4.11Å
131	E	98.8	Very high	98.4	Very high	16 Å²	16	36.2 Å²	36.2	8%	0.075	17%	0.173	C	C	.	.	H	α-helix	trans	-60.3	-45.3	178	-66	-67.8	-173.8	0	0	111.7	I97 A100 I101 F126 T127 A128 A133 V134 Y135	I97-E131 HydrophobicContact CG2-CG 3.75Å; A100-E131 HydrophobicContact CB-CB 4.22Å; I101-E131 HydrophobicContact CD1-CG 4.21Å; I101-E131 HydrophobicContact CG1-CB 3.67Å; I101-E131 HydrophobicContact CG1-CG 3.77Å; F126-E131 HydrophobicContact CB-CG 4.37Å; F126-E131 WeakPolarHBondContact CB-OE1 3.37Å; T127-E131 WeakPolarHBondContact O-CG 3.41Å; T127-E131 PolarHBondContact O-N 2.91Å; A128-E131 PolarHBondContact O-N 3.48Å; E131-A133 PolarHBondContact O-N 3.2Å; E131-V134 PolarHBondContact O-N 2.94Å; E131-Y135 VanDerWaalsContact O-CD2 3.29Å; E131-Y135 WeakPolarHBondContact O-CD2 3.43Å; E131-Y135 PolarHBondContact O-N 3.23Å; E131-Y135 WeakPolarHBondContact OE2-CE2 3.45Å
132	A	98.8	Very high	98.5	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.6	-33.9	175.2	0	0	0	0	0	112.3	A100 A128 M130 G136 H137 A140 V141 L144	A100-A132 HydrophobicContact CB-CB 4.33Å; A128-A132 WeakPolarHBondContact O-CB 3.4Å; A128-A132 PolarHBondContact O-N 2.97Å; M130-A132 PolarHBondContact O-N 3.36Å; A132-G136 PolarHBondContact O-N 3.45Å; A132-G136 VanDerWaalsContact O-N 3.13Å; A132-H137 HydrophobicContact CB-CB 4.49Å; A132-H137 PolarHBondContact O-N 3.17Å; A132-A140 HydrophobicContact CB-CB 3.88Å; A132-V141 HydrophobicContact CB-CG2 3.6Å; A132-L144 HydrophobicContact CB-CD1 4.09Å
133	A	98.5	Very high	98.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-74.2	-42.1	175.3	0	0	0	0	0	113.1	F129 M130 E131 Y135 G136 A171 A175 H180 V183	F129-A133 PolarHBondContact O-N 2.47Å; F129-A133 VanDerWaalsContact O-N 3.17Å; M130-A133 CarbonylContact O-C 3.41Å; M130-A133 WeakPolarHBondContact O-CA 3.34Å; M130-A133 WeakPolarHBondContact O-CB 3.5Å; M130-A133 PolarHBondContact O-N 3.48Å; E131-A133 PolarHBondContact O-N 3.2Å; A133-Y135 VanDerWaalsContact C-N 3.29Å; A133-Y135 PolarHBondContact O-N 3.37Å; A133-G136 PolarHBondContact O-N 2.91Å; A133-A171 HydrophobicContact CB-CB 3.89Å; A133-A175 HydrophobicContact CB-CB 4.43Å; A133-H180 PolarHBondContact O-CD2 3.1Å; A133-V183 HydrophobicContact CB-CG1 4.06Å
134	V	98.2	Very high	98.5	Very high	26 Å²	26	32.4 Å²	32.4	16%	0.158	15%	0.151	C	C	.	.	H	α-helix	trans	-56	-43.9	173.7	171.5	0	0	0	0	110.8	F126 M130 E131 D174 E178 H180	F126-V134 HydrophobicContact CE1-CG2 4.39Å; M130-V134 VanDerWaalsContact O-CG2 3.31Å; M130-V134 WeakPolarHBondContact O-CG2 2.98Å; M130-V134 PolarHBondContact O-N 2.79Å; E131-V134 PolarHBondContact O-N 2.94Å; V134-D174 HydrophobicContact CB-CB 4.43Å; V134-D174 HydrophobicContact CG2-CB 3.48Å; V134-D174 VanDerWaalsContact CG2-CB 3.48Å; V134-E178 HydrophobicContact CG1-CG 4.41Å; V134-H180 PolarHBondContact O-CD2 3.38Å; V134-H180 VanDerWaalsContact O-CD2 3.31Å; V134-H180 PolarHBondContact O-NE2 2.9Å
135	Y	97.9	Very high	98.6	Very high	118 Å²	118	32.8 Å²	32.8	46%	0.463	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	1.2	-175.8	-72	-87.1	0	0	0	113.9	I101 E131 A133 H137	I101-Y135 HydrophobicContact CB-CD2 4.23Å; I101-Y135 HydrophobicContact CB-CE2 4.11Å; I101-Y135 HydrophobicContact CD1-CE2 4.47Å; I101-Y135 HydrophobicContact CG1-CD2 4.18Å; I101-Y135 HydrophobicContact CG1-CE2 3.84Å; I101-Y135 HydrophobicContact CG2-CD1 4.37Å; I101-Y135 HydrophobicContact CG2-CD2 3.94Å; I101-Y135 HydrophobicContact CG2-CE1 4.02Å; I101-Y135 HydrophobicContact CG2-CE2 3.58Å; I101-Y135 HydrophobicContact CG2-CG 4.33Å; E131-Y135 VanDerWaalsContact O-CD2 3.29Å; E131-Y135 WeakPolarHBondContact O-CD2 3.43Å; E131-Y135 PolarHBondContact O-N 3.23Å; E131-Y135 WeakPolarHBondContact OE2-CE2 3.45Å; A133-Y135 VanDerWaalsContact C-N 3.29Å; A133-Y135 PolarHBondContact O-N 3.37Å; Y135-H137 VanDerWaalsContact C-N 3.34Å; Y135-H137 VanDerWaalsContact CB-CD2 3.49Å; Y135-H137 WeakPolarHBondContact CB-CD2 3.48Å; Y135-H137 PolarHBondContact O-N 2.88Å
136	G	97.9	Very high	98.6	Very high	20 Å²	20	39.7 Å²	39.7	21%	0.206	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	20.2	174.1	0	0	0	0	0	114.7	A132 A133 V138 H180	A132-G136 PolarHBondContact O-N 3.45Å; A132-G136 VanDerWaalsContact O-N 3.13Å; A133-G136 PolarHBondContact O-N 2.91Å; G136-V138 PolarHBondContact O-N 2.96Å; G136-H180 VanDerWaalsContact CA-CG 3.49Å; G136-H180 PolarHBondContact N-CD2 2.93Å; G136-H180 PolarHBondContact N-NE2 3.11Å
137	H	98.6	Very high	98.6	Very high	59 Å²	59	42.2 Å²	42.2	27%	0.273	19%	0.191	S	C	.	.			trans	-83	79.7	-174.3	-67.4	-45.5	0	0	0	112.7	A100 I101 G103 A132 Y135 K139 A140 V141	A100-H137 PolarHBondContact O-CD2 3.4Å; I101-H137 PolarHBondContact O-CD2 2.97Å; I101-H137 VanDerWaalsContact O-CD2 3.32Å; I101-H137 PolarHBondContact O-NE2 3.46Å; G103-H137 VanDerWaalsContact CA-CD2 3.4Å; G103-H137 WeakPolarHBondContact CA-CD2 3.08Å; G103-H137 VanDerWaalsContact CA-CG 3.44Å; G103-H137 PolarHBondContact N-CD2 3.14Å; G103-H137 VanDerWaalsContact N-CD2 3.34Å; A132-H137 HydrophobicContact CB-CB 4.49Å; A132-H137 PolarHBondContact O-N 3.17Å; Y135-H137 VanDerWaalsContact C-N 3.34Å; Y135-H137 VanDerWaalsContact CB-CD2 3.49Å; Y135-H137 WeakPolarHBondContact CB-CD2 3.48Å; Y135-H137 PolarHBondContact O-N 2.88Å; H137-K139 VanDerWaalsContact C-N 3.31Å; H137-K139 PolarHBondContact O-N 2.83Å; H137-A140 HydrophobicContact CB-CB 3.93Å; H137-A140 PolarHBondContact O-N 3.4Å; H137-V141 WeakPolarHBondContact O-CG2 3.49Å; H137-V141 PolarHBondContact O-N 3.4Å
138	V	98.7	Very high	98.6	Very high	44 Å²	44	44.2 Å²	44.2	27%	0.267	21%	0.213	S	C	.	.	H	α-helix	trans	-47	-47.4	-178.9	170.6	0	0	0	0	113.8	G136 A140 V141 K142 E182 V183 I186	G136-V138 PolarHBondContact O-N 2.96Å; V138-A140 PolarHBondContact O-N 2.62Å; V138-V141 PolarHBondContact O-N 3.07Å; V138-K142 PolarHBondContact O-N 2.9Å; V138-E182 HydrophobicContact CG2-CB 4.17Å; V138-E182 HydrophobicContact CG2-CG 3.93Å; V138-V183 HydrophobicContact CG2-CG2 3.75Å; V138-I186 HydrophobicContact CB-CD1 4.39Å; V138-I186 HydrophobicContact CG1-CD1 3.52Å; V138-I186 HydrophobicContact CG2-CD1 4.2Å
139	K	98.7	Very high	98.6	Very high	170 Å²	170	44.5 Å²	44.5	74%	0.739	22%	0.215	S	C	*	.	H	α-helix	trans	-64.2	-40.4	-179.2	-68.1	-176.1	-179.2	177.5	0	112.2	V105 H137 F143	V105-K139 HydrophobicContact CG2-CB 4Å; H137-K139 VanDerWaalsContact C-N 3.31Å; H137-K139 PolarHBondContact O-N 2.83Å; K139-F143 VanDerWaalsContact O-CB 3.3Å; K139-F143 WeakPolarHBondContact O-CB 3.38Å; K139-F143 PolarHBondContact O-N 3.03Å
140	A	98.7	Very high	98.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69.1	-41.9	177.4	0	0	0	0	0	111.4	L108 A132 H137 V138 K142 F143 L144	L108-A140 HydrophobicContact CD1-CB 3.8Å; A132-A140 HydrophobicContact CB-CB 3.88Å; H137-A140 HydrophobicContact CB-CB 3.93Å; H137-A140 PolarHBondContact O-N 3.4Å; V138-A140 PolarHBondContact O-N 2.62Å; A140-K142 PolarHBondContact O-N 3.06Å; A140-F143 PolarHBondContact O-N 2.95Å; A140-L144 VanDerWaalsContact O-CB 3.31Å; A140-L144 WeakPolarHBondContact O-CB 3.17Å; A140-L144 WeakPolarHBondContact O-CD1 3.25Å; A140-L144 WeakPolarHBondContact O-CG 3.33Å; A140-L144 PolarHBondContact O-N 3.22Å
141	V	98.8	Very high	98.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.3	-50	174.7	172.7	0	0	0	0	111	F129 A132 H137 V138 L144 Y145 V183 L187 M191	F129-V141 HydrophobicContact CE2-CG1 3.74Å; F129-V141 HydrophobicContact CZ-CG1 3.99Å; A132-V141 HydrophobicContact CB-CG2 3.6Å; H137-V141 WeakPolarHBondContact O-CG2 3.49Å; H137-V141 PolarHBondContact O-N 3.4Å; V138-V141 PolarHBondContact O-N 3.07Å; V141-L144 PolarHBondContact O-N 2.96Å; V141-Y145 WeakPolarHBondContact O-CB 3.26Å; V141-Y145 PolarHBondContact O-N 2.95Å; V141-V183 HydrophobicContact CG2-CG1 4.23Å; V141-L187 HydrophobicContact CG1-CD2 4.34Å; V141-M191 HydrophobicContact CG1-CE 3.97Å; V141-M191 HydrophobicContact CG1-SD 3.87Å
142	K	98.8	Very high	98.6	Very high	65 Å²	65	51 Å²	51	28%	0.283	25%	0.251	S	S	.	.	H	α-helix	trans	-61.6	-47.9	177.9	-71.9	-167.4	172.2	-156.2	0	112.3	V138 A140 L144 Y145 E146 I186 E190 M191	V138-K142 PolarHBondContact O-N 2.9Å; A140-K142 PolarHBondContact O-N 3.06Å; K142-L144 PolarHBondContact O-N 2.75Å; K142-Y145 PolarHBondContact O-N 2.99Å; K142-E146 WeakPolarHBondContact O-CG 3.3Å; K142-E146 PolarHBondContact O-N 2.84Å; K142-I186 VanDerWaalsContact CE-CD1 3.45Å; K142-I186 HydrophobicContact CG-CG2 4.34Å; K142-E190 VanDerWaalsContact CE-OE2 3.31Å; K142-E190 WeakPolarHBondContact CE-OE2 3.47Å; K142-E190 IonicContact NZ-OE1 3.67Å; K142-E190 PolarHBondContact NZ-OE1 2.96Å; K142-E190 IonicContact NZ-OE2 2.65Å; K142-E190 PolarHBondContact NZ-OE2 3.33Å; K142-M191 HydrophobicContact CB-CE 4.44Å; K142-M191 HydrophobicContact CG-CE 3.97Å
143	F	98.8	Very high	98.5	Very high	14 Å²	14	53.6 Å²	53.6	6%	0.061	27%	0.265	C	S	.	.	H	α-helix	trans	-57.9	-49.4	176.9	174.2	-94.4	0	0	0	112.3	V105 L108 E109 L112 K139 A140 Y145 E146 R147	V105-F143 HydrophobicContact CG1-CB 4.04Å; V105-F143 HydrophobicContact CG1-CD1 4.29Å; V105-F143 HydrophobicContact CG1-CD2 3.4Å; V105-F143 HydrophobicContact CG1-CE2 3.76Å; V105-F143 HydrophobicContact CG1-CG 3.66Å; V105-F143 HydrophobicContact CG1-CZ 4.39Å; V105-F143 HydrophobicContact CG2-CB 4.1Å; V105-F143 HydrophobicContact CG2-CG 4.46Å; L108-F143 HydrophobicContact CB-CD1 4.05Å; L108-F143 HydrophobicContact CB-CE1 3.65Å; L108-F143 HydrophobicContact CB-CZ 4.5Å; L108-F143 HydrophobicContact CD1-CD1 4.24Å; E109-F143 HydrophobicContact CB-CE2 4.18Å; E109-F143 HydrophobicContact CB-CZ 3.68Å; E109-F143 HydrophobicContact CG-CZ 4.37Å; L112-F143 HydrophobicContact CD1-CE1 3.93Å; L112-F143 HydrophobicContact CD1-CZ 4.19Å; K139-F143 VanDerWaalsContact O-CB 3.3Å; K139-F143 WeakPolarHBondContact O-CB 3.38Å; K139-F143 PolarHBondContact O-N 3.03Å; A140-F143 PolarHBondContact O-N 2.95Å; F143-Y145 VanDerWaalsContact C-N 3.31Å; F143-Y145 PolarHBondContact O-N 3.19Å; F143-E146 PolarHBondContact O-N 3.29Å; F143-R147 HydrophobicContact CD1-CG 4.26Å; F143-R147 HydrophobicContact CE1-CG 3.88Å; F143-R147 HydrophobicContact CE2-CG 4.28Å; F143-R147 HydrophobicContact CZ-CG 3.91Å; F143-R147 VanDerWaalsContact O-CG 3.31Å; F143-R147 WeakPolarHBondContact O-CG 3.35Å; F143-R147 PolarHBondContact O-N 3.29Å
144	L	98.8	Very high	98.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-39	-178.4	-73.7	167.6	0	0	0	111.7	F96 A100 L108 V118 A128 F129 A132 A140 V141 K142 R147 G148 A149	F96-L144 HydrophobicContact CE1-CD2 4.4Å; F96-L144 HydrophobicContact CE2-CD2 4.06Å; F96-L144 HydrophobicContact CZ-CD2 3.49Å; F96-L144 VanDerWaalsContact CZ-CD2 3.49Å; A100-L144 HydrophobicContact CB-CD1 4.26Å; L108-L144 HydrophobicContact CD1-CD1 4.19Å; L108-L144 HydrophobicContact CD1-CD2 4.35Å; L108-L144 HydrophobicContact CD1-CG 4.14Å; L108-L144 HydrophobicContact CD2-CD2 4.26Å; V118-L144 HydrophobicContact CG2-CD2 4.15Å; A128-L144 HydrophobicContact CB-CD1 3.93Å; A128-L144 HydrophobicContact CB-CD2 4.06Å; A128-L144 WeakPolarHBondContact O-CD1 3.3Å; F129-L144 HydrophobicContact CB-CD1 4.47Å; F129-L144 HydrophobicContact CD2-CB 3.91Å; A132-L144 HydrophobicContact CB-CD1 4.09Å; A140-L144 VanDerWaalsContact O-CB 3.31Å; A140-L144 WeakPolarHBondContact O-CB 3.17Å; A140-L144 WeakPolarHBondContact O-CD1 3.25Å; A140-L144 WeakPolarHBondContact O-CG 3.33Å; A140-L144 PolarHBondContact O-N 3.22Å; V141-L144 PolarHBondContact O-N 2.96Å; K142-L144 PolarHBondContact O-N 2.75Å; L144-R147 CarbonylContact O-C 3.52Å; L144-R147 PolarHBondContact O-N 3.42Å; L144-G148 PolarHBondContact O-N 3.32Å; L144-A149 HydrophobicContact CB-CB 4.08Å; L144-A149 WeakPolarHBondContact O-CB 3.28Å; L144-A149 PolarHBondContact O-N 2.85Å
145	Y	98.7	Very high	98.5	Very high	97 Å²	97	59.5 Å²	59.5	38%	0.38	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-47.8	173.3	178.7	-105.7	0	0	0	112.2	V141 K142 F143 R147 G148 V151 M191	V141-Y145 WeakPolarHBondContact O-CB 3.26Å; V141-Y145 PolarHBondContact O-N 2.95Å; K142-Y145 PolarHBondContact O-N 2.99Å; F143-Y145 VanDerWaalsContact C-N 3.31Å; F143-Y145 PolarHBondContact O-N 3.19Å; Y145-R147 PolarHBondContact O-N 3.06Å; Y145-G148 PolarHBondContact O-N 3.3Å; Y145-V151 HydrophobicContact CD2-CG2 3.54Å; Y145-V151 HydrophobicContact CE2-CG2 3.71Å; Y145-M191 VanDerWaalsContact CB-CE 3.47Å; Y145-M191 HydrophobicContact CD1-CE 3.9Å; Y145-M191 HydrophobicContact CD1-CG 4.1Å; Y145-M191 HydrophobicContact CD1-SD 4.42Å; Y145-M191 HydrophobicContact CD2-CB 4.1Å; Y145-M191 HydrophobicContact CD2-CE 4.44Å; Y145-M191 HydrophobicContact CD2-CG 3.87Å; Y145-M191 HydrophobicContact CD2-SD 3.99Å; Y145-M191 HydrophobicContact CE1-CG 4.23Å; Y145-M191 HydrophobicContact CE2-CB 3.91Å; Y145-M191 HydrophobicContact CE2-CG 4Å; Y145-M191 HydrophobicContact CG-CE 3.69Å; Y145-M191 HydrophobicContact CG-CG 3.92Å; Y145-M191 HydrophobicContact CG-SD 3.83Å
146	E	98.6	Very high	98.4	Very high	150 Å²	150	62.6 Å²	62.6	70%	0.701	30%	0.3	S	S	*	.	H	α-helix	trans	-60.4	-28.2	176.1	-71	171.9	-174.4	0	0	112.7	K142 F143 G148	K142-E146 WeakPolarHBondContact O-CG 3.3Å; K142-E146 PolarHBondContact O-N 2.84Å; F143-E146 PolarHBondContact O-N 3.29Å; E146-G148 VanDerWaalsContact C-N 3.3Å
147	R	98.6	Very high	98.2	Very high	100 Å²	100	62.6 Å²	62.6	38%	0.377	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	5.3	174.6	-58.9	-59.4	172.8	94.9	-7.4	113.9	E109 L112 V118 F143 L144 Y145	E109-R147 IonicContact OE1-CZ 2.72Å; E109-R147 IonicContact OE1-NH1 2.59Å; E109-R147 IonicContact OE1-NH2 3.35Å; E109-R147 PolarHBondContact OE1-NH2 3.09Å; L112-R147 HydrophobicContact CD1-CB 4.12Å; L112-R147 HydrophobicContact CD1-CG 3.88Å; V118-R147 HydrophobicContact CG2-CB 4.09Å; F143-R147 HydrophobicContact CD1-CG 4.26Å; F143-R147 HydrophobicContact CE1-CG 3.88Å; F143-R147 HydrophobicContact CE2-CG 4.28Å; F143-R147 HydrophobicContact CZ-CG 3.91Å; F143-R147 VanDerWaalsContact O-CG 3.31Å; F143-R147 WeakPolarHBondContact O-CG 3.35Å; F143-R147 PolarHBondContact O-N 3.29Å; L144-R147 CarbonylContact O-C 3.52Å; L144-R147 PolarHBondContact O-N 3.42Å; Y145-R147 PolarHBondContact O-N 3.06Å
148	G	98.3	Very high	98	Very high	45 Å²	45	65.1 Å²	65.1	46%	0.464	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.9	23.9	174	0	0	0	0	0	115.1	N119 L144 Y145 E146 N150	N119-G148 PolarHBondContact ND2-O 3.07Å; L144-G148 PolarHBondContact O-N 3.32Å; Y145-G148 PolarHBondContact O-N 3.3Å; E146-G148 VanDerWaalsContact C-N 3.3Å; G148-N150 PolarHBondContact O-N 3.09Å
149	A	98.6	Very high	97.7	Very high	7 Å²	7	69.3 Å²	69.3	6%	0.058	32%	0.323	C	S	.	.			trans	-60.6	134.1	170.5	0	0	0	0	0	111.2	V118 N119 F129 L144 V151	V118-A149 HydrophobicContact CG2-CB 4Å; N119-A149 WeakPolarHBondContact OD1-CA 3.45Å; F129-A149 HydrophobicContact CB-CB 3.88Å; F129-A149 HydrophobicContact CD2-CB 3.69Å; F129-A149 HydrophobicContact CE2-CB 4.49Å; F129-A149 HydrophobicContact CG-CB 3.94Å; L144-A149 HydrophobicContact CB-CB 4.08Å; L144-A149 WeakPolarHBondContact O-CB 3.28Å; L144-A149 PolarHBondContact O-N 2.85Å; A149-V151 PolarHBondContact O-N 3.05Å
150	N	98.6	Very high	97.3	Very high	79 Å²	79	66.5 Å²	66.5	42%	0.422	32%	0.316	S	S	.	.			trans	-83.7	105.2	176.9	179.6	-7	0	0	0	110.4	N119 G148 N152 L153	N119-N150 PolarHBondContact OD1-N 2.74Å; G148-N150 PolarHBondContact O-N 3.09Å; N150-N152 VanDerWaalsContact C-N 3.26Å; N150-N152 PolarHBondContact O-N 3.07Å; N150-N152 PolarHBondContact OD1-N 3.44Å; N150-N152 VanDerWaalsContact OD1-N 3.14Å; N150-L153 HydrophobicContact CB-CD1 3.88Å; N150-L153 HydrophobicContact CB-CD2 4.37Å; N150-L153 HydrophobicContact CB-CG 3.7Å; N150-L153 PolarHBondContact O-N 2.78Å
151	V	98.6	Very high	96.9	Very high	11 Å²	11	68.9 Å²	68.9	7%	0.067	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-36.2	-176.3	-178.4	0	0	0	0	112.9	F129 Y145 A149 L187 M191 A193	F129-V151 HydrophobicContact CE1-CB 4.17Å; F129-V151 HydrophobicContact CE1-CG1 4.02Å; F129-V151 HydrophobicContact CE1-CG2 4.2Å; F129-V151 HydrophobicContact CZ-CB 4.33Å; F129-V151 HydrophobicContact CZ-CG1 4.2Å; F129-V151 HydrophobicContact CZ-CG2 3.88Å; Y145-V151 HydrophobicContact CD2-CG2 3.54Å; Y145-V151 HydrophobicContact CE2-CG2 3.71Å; A149-V151 PolarHBondContact O-N 3.05Å; V151-L187 HydrophobicContact CG1-CD2 4.13Å; V151-M191 HydrophobicContact CG1-CB 4.29Å; V151-M191 HydrophobicContact CG2-CB 3.99Å; V151-A193 HydrophobicContact CG1-CB 3.81Å
152	N	98.5	Very high	96.6	Very high	67 Å²	67	74.2 Å²	74.2	36%	0.358	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101	18.3	-170.5	-68	-42.7	0	0	0	113.1	N150 R154 G192 A193 D194	N150-N152 VanDerWaalsContact C-N 3.26Å; N150-N152 PolarHBondContact O-N 3.07Å; N150-N152 PolarHBondContact OD1-N 3.44Å; N150-N152 VanDerWaalsContact OD1-N 3.14Å; N152-R154 PolarHBondContact O-N 2.78Å; N152-G192 PolarHBondContact ND2-O 2.8Å; N152-G192 VanDerWaalsContact ND2-O 3.07Å; N152-A193 WeakPolarHBondContact OD1-CA 3.27Å; N152-D194 PolarHBondContact OD1-N 3.14Å
153	L	98.4	Very high	96.2	Very high	54 Å²	54	79 Å²	79	28%	0.283	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-60.7	135.8	172	-77.2	174.1	0	0	0	110.8	N119 T127 M130 N150	N119-L153 HydrophobicContact CB-CD1 4.31Å; T127-L153 HydrophobicContact CG2-CD1 3.97Å; M130-L153 HydrophobicContact CE-CB 3.81Å; M130-L153 WeakPolarHBondContact CE-O 3.29Å; N150-L153 HydrophobicContact CB-CD1 3.88Å; N150-L153 HydrophobicContact CB-CD2 4.37Å; N150-L153 HydrophobicContact CB-CG 3.7Å; N150-L153 PolarHBondContact O-N 2.78Å
154	R	98.4	Very high	95.8	Very high	118 Å²	118	84 Å²	84	45%	0.445	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-101.1	126.6	171.6	-66.3	178.5	70.9	-128.9	-2.2	108.1	N152 K156 G168 T170 C198 N200	N152-R154 PolarHBondContact O-N 2.78Å; R154-K156 PolarHBondContact O-N 3.31Å; R154-K156 VanDerWaalsContact O-N 3.16Å; R154-G168 WeakPolarHBondContact CB-O 3.5Å; R154-G168 WeakPolarHBondContact CG-O 3.37Å; R154-G168 PolarHBondContact NE-O 2.74Å; R154-T170 HydrophobicContact CG-CG2 3.97Å; R154-C198 VanDerWaalsContact CZ-O 3.29Å; R154-C198 PolarHBondContact NE-O 2.69Å; R154-C198 PolarHBondContact NH2-O 3.01Å; R154-N200 PolarHBondContact NH2-OD1 3.04Å
155	R	98.1	Very high	95.5	Very high	31 Å²	31	92 Å²	92	12%	0.117	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-52.4	120.2	-178.4	-75.6	-162.4	-84.4	-83.1	11.5	111.5	G125 M130 G168 A169 D174	G125-R155 WeakPolarHBondContact O-CG 3.37Å; M130-R155 HydrophobicContact CE-CG 3.98Å; M130-R155 HydrophobicContact SD-CG 3.45Å; M130-R155 WeakPolarHBondContact SD-CG 3.35Å; R155-G168 PolarHBondContact O-N 2.89Å; R155-A169 PolarHBondContact N-O 3.16Å; R155-D174 IonicContact CZ-OD1 3.86Å; R155-D174 IonicContact CZ-OD2 3.57Å; R155-D174 VanDerWaalsContact NH1-CG 3.35Å; R155-D174 IonicContact NH1-OD1 3.88Å; R155-D174 PolarHBondContact NH1-OD1 3.12Å; R155-D174 IonicContact NH1-OD2 2.74Å; R155-D174 PolarHBondContact NH1-OD2 3.33Å; R155-D174 IonicContact NH2-OD1 2.78Å; R155-D174 PolarHBondContact NH2-OD1 3.18Å; R155-D174 IonicContact NH2-OD2 3.14Å
156	K	96	Very high	95.2	Very high	183 Å²	183	92.3 Å²	92.3	80%	0.796	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-95.8	121.4	169.3	-68.6	-174.1	179.1	-178.9	0	108.7	Y124 G125 R154	Y124-K156 CarbonylContact C-O 3.55Å; G125-K156 VanDerWaalsContact CA-O 3.24Å; G125-K156 WeakPolarHBondContact CA-O 3.21Å; G125-K156 PolarHBondContact N-O 2.88Å; R154-K156 PolarHBondContact O-N 3.31Å; R154-K156 VanDerWaalsContact O-N 3.16Å
157	T	93.4	Very high	95	Very high	20 Å²	20	86 Å²	86	12%	0.123	40%	0.404	C	S	.	.			trans	-115.9	178.5	179.6	-172.1	0	0	0	0	110.6	Q161	T157-Q161 HydrophobicContact CG2-CB 3.57Å; T157-Q161 PolarHBondContact OG1-OE1 3.48Å
158	K	93.1	Very high	95	Very high	112 Å²	112	81.3 Å²	81.3	49%	0.487	39%	0.387	S	S	.	.			trans	-57.4	147.1	175.5	-59.2	-178.4	-178.5	-179.5	0	111.3	D160 Q161 E162	K158-D160 VanDerWaalsContact C-N 3.27Å; K158-D160 PolarHBondContact O-N 3.14Å; K158-D160 VanDerWaalsContact O-N 3.16Å; K158-Q161 WeakPolarHBondContact O-CB 3.14Å; K158-Q161 PolarHBondContact O-N 3.15Å; K158-E162 PolarHBondContact O-N 3.46Å; K158-E162 VanDerWaalsContact O-N 3.08Å
159	E	92.8	Very high	95	Very high	133 Å²	133	79.4 Å²	79.4	62%	0.621	37%	0.366	S	S	*	.	H	α-helix	trans	-52.3	-41.3	-178.6	-64.5	-177.1	-174.8	0	0	113.5	Q161 E162 R163	E159-Q161 VanDerWaalsContact C-N 3.25Å; E159-Q161 PolarHBondContact O-N 3.34Å; E159-E162 PolarHBondContact O-N 3.39Å; E159-R163 WeakPolarHBondContact O-CG 3.45Å; E159-R163 PolarHBondContact O-N 3.05Å; E159-R163 IonicContact OE2-CZ 3.44Å; E159-R163 IonicContact OE2-NH2 3.27Å; E159-R163 PolarHBondContact OE2-NH2 3.4Å
160	D	90.4	Very high	95	Very high	110 Å²	110	79.2 Å²	79.2	59%	0.588	37%	0.365	S	S	*	.	H	α-helix	trans	-62.1	-34.2	179	-67.2	-31	0	0	0	112.7	K158 R163	K158-D160 VanDerWaalsContact C-N 3.27Å; K158-D160 PolarHBondContact O-N 3.14Å; K158-D160 VanDerWaalsContact O-N 3.16Å; D160-R163 IonicContact OD1-CZ 3.82Å; D160-R163 IonicContact OD1-NH1 2.75Å; D160-R163 PolarHBondContact OD1-NH1 3.41Å
161	Q	91.6	Very high	95	Very high	51 Å²	51	75.5 Å²	75.5	24%	0.238	34%	0.344	C	S	.	.	H	α-helix	trans	-76.1	-38.1	176.3	-67.5	-164.3	-6.6	0	0	111.2	Y124 T157 K158 E159 L164 R165 K166	Y124-Q161 VanDerWaalsContact CE1-NE2 3.32Å; T157-Q161 HydrophobicContact CG2-CB 3.57Å; T157-Q161 PolarHBondContact OG1-OE1 3.48Å; K158-Q161 WeakPolarHBondContact O-CB 3.14Å; K158-Q161 PolarHBondContact O-N 3.15Å; E159-Q161 VanDerWaalsContact C-N 3.25Å; E159-Q161 PolarHBondContact O-N 3.34Å; Q161-L164 CarbonylContact O-C 3.25Å; Q161-L164 WeakPolarHBondContact O-CA 3.45Å; Q161-L164 WeakPolarHBondContact O-CB 3.47Å; Q161-L164 PolarHBondContact O-N 3.24Å; Q161-L164 VanDerWaalsContact O-N 3.09Å; Q161-R165 PolarHBondContact O-N 3.15Å; Q161-K166 HydrophobicContact CB-CB 4.04Å; Q161-K166 HydrophobicContact CB-CD 4.43Å; Q161-K166 VanDerWaalsContact O-CB 3.31Å; Q161-K166 WeakPolarHBondContact O-CB 3.38Å; Q161-K166 PolarHBondContact O-N 3.07Å
162	E	91.5	Very high	95	Very high	112 Å²	112	75.1 Å²	75.1	52%	0.523	34%	0.342	S	S	.	.	H	α-helix	trans	-65.1	-36.9	175.8	-171.1	170.5	-164.7	0	0	112.2	K158 E159 L164 R165	K158-E162 PolarHBondContact O-N 3.46Å; K158-E162 VanDerWaalsContact O-N 3.08Å; E159-E162 PolarHBondContact O-N 3.39Å; E162-L164 PolarHBondContact O-N 3.27Å; E162-R165 WeakPolarHBondContact O-CA 3.29Å; E162-R165 PolarHBondContact O-N 3Å
163	R	90.1	Very high	95	Very high	166 Å²	166	72 Å²	72	63%	0.626	33%	0.325	S	S	*	.	H	α-helix	trans	-57.9	-32	170.4	-72.1	173.3	-171.6	131.5	11.3	112.5	E159 D160 R165	E159-R163 WeakPolarHBondContact O-CG 3.45Å; E159-R163 PolarHBondContact O-N 3.05Å; E159-R163 IonicContact OE2-CZ 3.44Å; E159-R163 IonicContact OE2-NH2 3.27Å; E159-R163 PolarHBondContact OE2-NH2 3.4Å; D160-R163 IonicContact OD1-CZ 3.82Å; D160-R163 IonicContact OD1-NH1 2.75Å; D160-R163 PolarHBondContact OD1-NH1 3.41Å; R163-R165 PolarHBondContact O-N 3.36Å
164	L	90.7	Very high	95	Very high	118 Å²	118	69.9 Å²	69.9	62%	0.618	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	14	173.3	-62.3	175	0	0	0	113	Q161 E162 K166	Q161-L164 CarbonylContact O-C 3.25Å; Q161-L164 WeakPolarHBondContact O-CA 3.45Å; Q161-L164 WeakPolarHBondContact O-CB 3.47Å; Q161-L164 PolarHBondContact O-N 3.24Å; Q161-L164 VanDerWaalsContact O-N 3.09Å; E162-L164 PolarHBondContact O-N 3.27Å; L164-K166 HydrophobicContact CB-CG 4.43Å; L164-K166 PolarHBondContact O-N 3.06Å
165	R	92.5	Very high	95	Very high	169 Å²	169	64.2 Å²	64.2	64%	0.638	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	22.7	-176.9	-58.3	-174.5	178.4	-152.9	-0.1	114.2	Q161 E162 R163 N200 M201	Q161-R165 PolarHBondContact O-N 3.15Å; E162-R165 WeakPolarHBondContact O-CA 3.29Å; E162-R165 PolarHBondContact O-N 3Å; R163-R165 PolarHBondContact O-N 3.36Å; R165-N200 WeakPolarHBondContact CB-O 3.14Å; R165-N200 CarbonylContact O-C 3.57Å; R165-N200 VanDerWaalsContact O-CB 3.26Å; R165-N200 WeakPolarHBondContact O-CB 3.48Å; R165-M201 HydrophobicContact CB-CG 4.05Å; R165-M201 WeakPolarHBondContact O-CG 3.4Å
166	K	92.7	Very high	95	Very high	103 Å²	103	62.8 Å²	62.8	45%	0.448	29%	0.287	S	S	.	.			trans	-81.7	159.5	171.3	-61.9	-175.3	175.9	-173.7	0	110.5	Q161 L164 N200 M201	Q161-K166 HydrophobicContact CB-CB 4.04Å; Q161-K166 HydrophobicContact CB-CD 4.43Å; Q161-K166 VanDerWaalsContact O-CB 3.31Å; Q161-K166 WeakPolarHBondContact O-CB 3.38Å; Q161-K166 PolarHBondContact O-N 3.07Å; L164-K166 HydrophobicContact CB-CG 4.43Å; L164-K166 PolarHBondContact O-N 3.06Å; K166-N200 PolarHBondContact O-ND2 3.44Å; K166-M201 HydrophobicContact CG-CE 4.33Å
167	G	95.1	Very high	95	Very high	18 Å²	18	58.2 Å²	58.2	19%	0.186	27%	0.268	C	S	.	.			trans	87.5	-170.7	-174.5	0	0	0	0	0	113	A169 N200	G167-A169 VanDerWaalsContact C-N 3.28Å; G167-A169 PolarHBondContact O-N 3.11Å; G167-N200 WeakPolarHBondContact O-CB 3.5Å; G167-N200 PolarHBondContact O-N 3Å; G167-N200 VanDerWaalsContact O-N 3.08Å
168	G	97.6	Very high	95.1	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.01	28%	0.282	C	S	.	.			trans	83.3	-9.5	177.9	0	0	0	0	0	115.6	R154 R155	R154-G168 WeakPolarHBondContact CB-O 3.5Å; R154-G168 WeakPolarHBondContact CG-O 3.37Å; R154-G168 PolarHBondContact NE-O 2.74Å; R155-G168 PolarHBondContact O-N 2.89Å
169	A	98.4	Very high	95.3	Very high	5 Å²	5	56.3 Å²	56.3	4%	0.041	26%	0.259	C	S	.	.			trans	-73.3	158.2	-178.4	0	0	0	0	0	113	R155 G167 M173 D199	R155-A169 PolarHBondContact N-O 3.16Å; G167-A169 VanDerWaalsContact C-N 3.28Å; G167-A169 PolarHBondContact O-N 3.11Å; A169-M173 VanDerWaalsContact CA-SD 3.51Å; A169-M173 HydrophobicContact CB-SD 3.74Å; A169-D199 HydrophobicContact CB-CB 4.03Å
170	T	98.8	Very high	95.5	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.018	24%	0.241	C	C	.	.			trans	-121.2	166.3	-174.4	69.9	0	0	0	0	111.6	R154 L172 M173 D174 A197	R154-T170 HydrophobicContact CG-CG2 3.97Å; T170-L172 PolarHBondContact O-N 3.17Å; T170-M173 HydrophobicContact CG2-CE 4.18Å; T170-M173 PolarHBondContact N-SD 3.16Å; T170-M173 WeakPolarHBondContact O-CB 3.44Å; T170-M173 PolarHBondContact O-N 3.34Å; T170-M173 VanDerWaalsContact O-N 3.11Å; T170-D174 PolarHBondContact O-N 3.37Å; T170-A197 HydrophobicContact CG2-CB 4.02Å
171	A	98.7	Very high	95.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.2	-33.3	176.8	0	0	0	0	0	113.2	F129 M130 A133 D174 A175	F129-A171 HydrophobicContact CD1-CB 3.69Å; F129-A171 HydrophobicContact CE1-CB 3.68Å; M130-A171 HydrophobicContact CG-CB 4.11Å; A133-A171 HydrophobicContact CB-CB 3.89Å; A171-D174 PolarHBondContact O-N 2.8Å; A171-A175 PolarHBondContact O-N 2.99Å
172	L	98.8	Very high	96.2	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.016	24%	0.236	C	C	.	.	H	α-helix	trans	-63.5	-41.7	175.4	-174.5	74.3	0	0	0	111.8	T170 D174 A176 L184 L187 L188 A193 V195 A205 L225	T170-L172 PolarHBondContact O-N 3.17Å; L172-D174 VanDerWaalsContact C-N 3.34Å; L172-A176 VanDerWaalsContact O-CB 3.3Å; L172-A176 WeakPolarHBondContact O-CB 3.48Å; L172-A176 PolarHBondContact O-N 2.89Å; L172-L184 HydrophobicContact CD1-CD1 3.48Å; L172-L184 VanDerWaalsContact CD1-CD1 3.48Å; L172-L184 HydrophobicContact CD1-CG 4.02Å; L172-L184 HydrophobicContact CG-CD1 4.14Å; L172-L187 HydrophobicContact CB-CD1 4.39Å; L172-L187 HydrophobicContact CD1-CB 3.88Å; L172-L187 HydrophobicContact CD1-CD1 4.15Å; L172-L188 HydrophobicContact CD1-CD1 4.43Å; L172-L188 HydrophobicContact CD1-CD2 3.85Å; L172-L188 HydrophobicContact CD1-CG 3.84Å; L172-L188 HydrophobicContact CD2-CD2 3.99Å; L172-A193 HydrophobicContact CB-CB 4.34Å; L172-A193 HydrophobicContact CD1-CB 4.2Å; L172-A193 HydrophobicContact CD2-CB 4.32Å; L172-V195 HydrophobicContact CD2-CB 4.41Å; L172-V195 HydrophobicContact CD2-CG2 4.5Å; L172-A205 HydrophobicContact CD2-CB 3.95Å; L172-A205 HydrophobicContact CG-CB 3.98Å; L172-L225 HydrophobicContact CD2-CD2 4.47Å
173	M	98.6	Very high	96.5	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-40.7	176.8	-63.6	171.1	-170	0	0	111.5	A169 T170 A176 K177 A197 D199 R203 A205 H208	A169-M173 VanDerWaalsContact CA-SD 3.51Å; A169-M173 HydrophobicContact CB-SD 3.74Å; T170-M173 HydrophobicContact CG2-CE 4.18Å; T170-M173 PolarHBondContact N-SD 3.16Å; T170-M173 WeakPolarHBondContact O-CB 3.44Å; T170-M173 PolarHBondContact O-N 3.34Å; T170-M173 VanDerWaalsContact O-N 3.11Å; M173-A176 PolarHBondContact O-N 2.91Å; M173-K177 WeakPolarHBondContact O-CB 3.33Å; M173-K177 PolarHBondContact O-N 3.31Å; M173-A197 VanDerWaalsContact CE-C 3.44Å; M173-A197 HydrophobicContact CE-CB 4.24Å; M173-A197 WeakPolarHBondContact CE-O 3.29Å; M173-D199 HydrophobicContact CE-CB 4.43Å; M173-D199 HydrophobicContact SD-CB 4.07Å; M173-R203 WeakPolarHBondContact CE-O 3.35Å; M173-A205 HydrophobicContact CG-CB 4.28Å; M173-H208 HydrophobicContact CB-CB 4.33Å
174	D	98.1	Very high	96.9	Very high	10 Å²	10	38.6 Å²	38.6	5%	0.053	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-48.2	178.1	-64.2	-33.1	0	0	0	111.3	V134 R155 T170 A171 L172 A176 K177 E178	V134-D174 HydrophobicContact CB-CB 4.43Å; V134-D174 HydrophobicContact CG2-CB 3.48Å; V134-D174 VanDerWaalsContact CG2-CB 3.48Å; R155-D174 IonicContact CZ-OD1 3.86Å; R155-D174 IonicContact CZ-OD2 3.57Å; R155-D174 VanDerWaalsContact NH1-CG 3.35Å; R155-D174 IonicContact NH1-OD1 3.88Å; R155-D174 PolarHBondContact NH1-OD1 3.12Å; R155-D174 IonicContact NH1-OD2 2.74Å; R155-D174 PolarHBondContact NH1-OD2 3.33Å; R155-D174 IonicContact NH2-OD1 2.78Å; R155-D174 PolarHBondContact NH2-OD1 3.18Å; R155-D174 IonicContact NH2-OD2 3.14Å; T170-D174 PolarHBondContact O-N 3.37Å; A171-D174 PolarHBondContact O-N 2.8Å; L172-D174 VanDerWaalsContact C-N 3.34Å; D174-A176 VanDerWaalsContact C-N 3.3Å; D174-A176 PolarHBondContact O-N 3.48Å; D174-K177 PolarHBondContact O-N 3.49Å; D174-E178 WeakPolarHBondContact O-CG 3.4Å; D174-E178 PolarHBondContact O-N 3.46Å
175	A	98	Very high	97.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.7	-39	176.3	0	0	0	0	0	112.5	A133 A171 G179 H180 V183 L184 L187	A133-A175 HydrophobicContact CB-CB 4.43Å; A171-A175 PolarHBondContact O-N 2.99Å; A175-G179 PolarHBondContact O-N 3.42Å; A175-H180 PolarHBondContact O-N 2.85Å; A175-V183 HydrophobicContact CB-CB 4.36Å; A175-V183 HydrophobicContact CB-CG1 3.84Å; A175-L184 HydrophobicContact CB-CD1 4.03Å; A175-L187 HydrophobicContact CB-CD1 4.05Å
176	A	97.7	Very high	97.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.9	-46	177.3	0	0	0	0	0	112	L172 M173 D174 G179 L184 A205 A209 I221 L225	L172-A176 VanDerWaalsContact O-CB 3.3Å; L172-A176 WeakPolarHBondContact O-CB 3.48Å; L172-A176 PolarHBondContact O-N 2.89Å; M173-A176 PolarHBondContact O-N 2.91Å; D174-A176 VanDerWaalsContact C-N 3.3Å; D174-A176 PolarHBondContact O-N 3.48Å; A176-G179 PolarHBondContact O-N 3.01Å; A176-L184 HydrophobicContact CB-CD1 3.81Å; A176-A205 HydrophobicContact CB-CB 4.15Å; A176-A205 WeakPolarHBondContact CB-O 3.25Å; A176-A209 HydrophobicContact CB-CB 4.25Å; A176-I221 HydrophobicContact CB-CG2 4.01Å; A176-L225 HydrophobicContact CB-CD1 4.25Å
177	K	96.7	Very high	97.9	Very high	87 Å²	87	23.8 Å²	23.8	38%	0.378	12%	0.116	S	C	.	.	H	α-helix	trans	-61.4	-45	179.3	-175	-175.9	169	-162.7	0	112.3	M173 D174 H208 S212 N215	M173-K177 WeakPolarHBondContact O-CB 3.33Å; M173-K177 PolarHBondContact O-N 3.31Å; D174-K177 PolarHBondContact O-N 3.49Å; K177-H208 HydrophobicContact CB-CB 4.24Å; K177-S212 WeakPolarHBondContact CG-OG 3.38Å; K177-S212 WeakPolarHBondContact O-CB 3.08Å; K177-S212 PolarHBondContact O-OG 3.21Å; K177-S212 VanDerWaalsContact O-OG 3.05Å; K177-N215 PolarHBondContact O-ND2 3.32Å; K177-N215 VanDerWaalsContact O-ND2 3.13Å
178	E	96.1	Very high	98	Very high	92 Å²	92	23.8 Å²	23.8	43%	0.43	11%	0.112	S	C	.	.	H	α-helix	trans	-83.8	-11.3	-176.8	-59.1	-55.8	141.3	0	0	112.7	V134 D174 H180	V134-E178 HydrophobicContact CG1-CG 4.41Å; D174-E178 WeakPolarHBondContact O-CG 3.4Å; D174-E178 PolarHBondContact O-N 3.46Å; E178-H180 WeakPolarHBondContact CB-NE2 3.36Å
179	G	96.3	Very high	98.1	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.01	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	24.6	171.7	0	0	0	0	0	115.4	A175 A176 I181 N215 N217	A175-G179 PolarHBondContact O-N 3.42Å; A176-G179 PolarHBondContact O-N 3.01Å; G179-I181 PolarHBondContact O-N 3.42Å; G179-N215 WeakPolarHBondContact CA-ND2 3.17Å; G179-N215 PolarHBondContact N-ND2 3.25Å; G179-N217 PolarHBondContact O-ND2 2.91Å
180	H	97.5	Very high	98.1	Very high	52 Å²	52	33.4 Å²	33.4	24%	0.241	16%	0.159	C	C	.	.			trans	-82.3	81.1	-178.2	-61.1	-50.8	0	0	0	110.7	A133 V134 G136 A175 E178 E182 V183 L184	A133-H180 PolarHBondContact O-CD2 3.1Å; V134-H180 PolarHBondContact O-CD2 3.38Å; V134-H180 VanDerWaalsContact O-CD2 3.31Å; V134-H180 PolarHBondContact O-NE2 2.9Å; G136-H180 VanDerWaalsContact CA-CG 3.49Å; G136-H180 PolarHBondContact N-CD2 2.93Å; G136-H180 PolarHBondContact N-NE2 3.11Å; A175-H180 PolarHBondContact O-N 2.85Å; E178-H180 WeakPolarHBondContact CB-NE2 3.36Å; H180-E182 VanDerWaalsContact C-N 3.29Å; H180-E182 PolarHBondContact O-N 3.47Å; H180-V183 HydrophobicContact CB-CB 3.97Å; H180-V183 HydrophobicContact CB-CG2 4.2Å; H180-V183 PolarHBondContact O-N 3.36Å; H180-L184 WeakPolarHBondContact O-CB 3.42Å; H180-L184 PolarHBondContact O-N 2.89Å
181	I	97.9	Very high	98	Very high	42 Å²	42	33.8 Å²	33.8	22%	0.215	16%	0.161	C	C	.	.	H	α-helix	trans	-51.1	-48	-175.9	-62.3	172.1	0	0	0	111.7	G179 L184 K185 N217 A220 I221 L224	G179-I181 PolarHBondContact O-N 3.42Å; I181-L184 PolarHBondContact O-N 3.3Å; I181-K185 HydrophobicContact CG2-CD 4.38Å; I181-K185 WeakPolarHBondContact O-CG 3.32Å; I181-K185 PolarHBondContact O-N 3.06Å; I181-N217 HydrophobicContact CD1-CB 3.76Å; I181-N217 HydrophobicContact CG1-CB 3.88Å; I181-A220 HydrophobicContact CD1-CB 3.69Å; I181-A220 HydrophobicContact CG1-CB 4.24Å; I181-I221 HydrophobicContact CB-CD1 4.36Å; I181-I221 HydrophobicContact CG1-CD1 3.84Å; I181-I221 HydrophobicContact CG1-CG1 4.24Å; I181-L224 HydrophobicContact CG2-CD1 3.82Å
182	E	98.3	Very high	98	Very high	105 Å²	105	36.3 Å²	36.3	49%	0.491	19%	0.187	S	C	.	.	H	α-helix	trans	-68.1	-42.2	-175	-168	61.4	-164.6	0	0	112.1	V138 H180 L184 K185 I186	V138-E182 HydrophobicContact CG2-CB 4.17Å; V138-E182 HydrophobicContact CG2-CG 3.93Å; H180-E182 VanDerWaalsContact C-N 3.29Å; H180-E182 PolarHBondContact O-N 3.47Å; E182-L184 VanDerWaalsContact C-N 3.33Å; E182-L184 PolarHBondContact O-N 2.88Å; E182-K185 PolarHBondContact O-N 3.02Å; E182-I186 HydrophobicContact CG-CD1 4.17Å; E182-I186 WeakPolarHBondContact O-CD1 3.45Å; E182-I186 VanDerWaalsContact O-CG1 3.29Å; E182-I186 WeakPolarHBondContact O-CG1 3.49Å; E182-I186 PolarHBondContact O-N 3.36Å
183	V	98.6	Very high	98	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-61.9	-44.5	173.9	172.8	0	0	0	0	110.3	A133 V138 V141 A175 H180 K185 I186 L187	A133-V183 HydrophobicContact CB-CG1 4.06Å; V138-V183 HydrophobicContact CG2-CG2 3.75Å; V141-V183 HydrophobicContact CG2-CG1 4.23Å; A175-V183 HydrophobicContact CB-CB 4.36Å; A175-V183 HydrophobicContact CB-CG1 3.84Å; H180-V183 HydrophobicContact CB-CB 3.97Å; H180-V183 HydrophobicContact CB-CG2 4.2Å; H180-V183 PolarHBondContact O-N 3.36Å; V183-K185 VanDerWaalsContact C-N 3.35Å; V183-K185 PolarHBondContact O-N 2.99Å; V183-I186 PolarHBondContact O-N 3.02Å; V183-L187 HydrophobicContact CG1-CD1 3.84Å; V183-L187 HydrophobicContact CG1-CG 4.14Å; V183-L187 WeakPolarHBondContact O-CB 3.32Å; V183-L187 VanDerWaalsContact O-CG 3.25Å; V183-L187 WeakPolarHBondContact O-CG 3.44Å; V183-L187 PolarHBondContact O-N 2.99Å
184	L	98.4	Very high	98	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-59.9	-44.1	179.9	-160.6	86	0	0	0	112.2	L172 A175 A176 H180 I181 E182 L187 L188 I221 L224 L225	L172-L184 HydrophobicContact CD1-CD1 3.48Å; L172-L184 VanDerWaalsContact CD1-CD1 3.48Å; L172-L184 HydrophobicContact CD1-CG 4.02Å; L172-L184 HydrophobicContact CG-CD1 4.14Å; A175-L184 HydrophobicContact CB-CD1 4.03Å; A176-L184 HydrophobicContact CB-CD1 3.81Å; H180-L184 WeakPolarHBondContact O-CB 3.42Å; H180-L184 PolarHBondContact O-N 2.89Å; I181-L184 PolarHBondContact O-N 3.3Å; E182-L184 VanDerWaalsContact C-N 3.33Å; E182-L184 PolarHBondContact O-N 2.88Å; L184-L187 PolarHBondContact O-N 3.19Å; L184-L188 HydrophobicContact CD2-CD1 4.25Å; L184-L188 HydrophobicContact CG-CD1 4.09Å; L184-L188 WeakPolarHBondContact O-CG 3.4Å; L184-L188 PolarHBondContact O-N 3.01Å; L184-I221 HydrophobicContact CB-CD1 4.22Å; L184-I221 HydrophobicContact CD2-CB 4.47Å; L184-I221 HydrophobicContact CD2-CD1 3.75Å; L184-I221 HydrophobicContact CD2-CG2 3.92Å; L184-L224 HydrophobicContact CD2-CB 4.2Å; L184-L224 HydrophobicContact CD2-CD1 4.4Å; L184-L225 HydrophobicContact CD1-CD2 4.45Å; L184-L225 HydrophobicContact CD2-CD2 4.09Å; L184-L225 HydrophobicContact CD2-CG 4.02Å
185	K	98.5	Very high	98	Very high	77 Å²	77	40.9 Å²	40.9	34%	0.335	21%	0.214	S	C	.	.	H	α-helix	trans	-58.6	-51.3	174.4	-73.7	178.3	-179.1	177.1	0	111.3	I181 E182 V183 L187 L188 D189 L224	I181-K185 HydrophobicContact CG2-CD 4.38Å; I181-K185 WeakPolarHBondContact O-CG 3.32Å; I181-K185 PolarHBondContact O-N 3.06Å; E182-K185 PolarHBondContact O-N 3.02Å; V183-K185 VanDerWaalsContact C-N 3.35Å; V183-K185 PolarHBondContact O-N 2.99Å; K185-L187 VanDerWaalsContact C-N 3.27Å; K185-L187 PolarHBondContact O-N 3.43Å; K185-L188 PolarHBondContact O-N 3.24Å; K185-L188 VanDerWaalsContact O-N 3.14Å; K185-D189 VanDerWaalsContact O-CB 3.27Å; K185-D189 WeakPolarHBondContact O-CB 3.06Å; K185-D189 PolarHBondContact O-N 3.21Å; K185-L224 HydrophobicContact CD-CD1 4.36Å; K185-L224 HydrophobicContact CG-CD1 3.67Å; K185-L224 HydrophobicContact CG-CD2 3.94Å; K185-L224 HydrophobicContact CG-CG 4.47Å
186	I	98.7	Very high	98	Very high	2 Å²	2	44 Å²	44	1%	0.01	23%	0.23	C	C	.	.	I	π-helix	trans	-57	-43.4	178.6	-68.5	160.3	0	0	0	111	V138 K142 E182 V183 L188 E190 M191	V138-I186 HydrophobicContact CB-CD1 4.39Å; V138-I186 HydrophobicContact CG1-CD1 3.52Å; V138-I186 HydrophobicContact CG2-CD1 4.2Å; K142-I186 VanDerWaalsContact CE-CD1 3.45Å; K142-I186 HydrophobicContact CG-CG2 4.34Å; E182-I186 HydrophobicContact CG-CD1 4.17Å; E182-I186 WeakPolarHBondContact O-CD1 3.45Å; E182-I186 VanDerWaalsContact O-CG1 3.29Å; E182-I186 WeakPolarHBondContact O-CG1 3.49Å; E182-I186 PolarHBondContact O-N 3.36Å; V183-I186 PolarHBondContact O-N 3.02Å; I186-L188 PolarHBondContact O-N 3.15Å; I186-E190 HydrophobicContact CG2-CB 4.37Å; I186-E190 WeakPolarHBondContact O-CA 3.38Å; I186-E190 WeakPolarHBondContact O-CB 3.49Å; I186-E190 PolarHBondContact O-N 3.44Å; I186-M191 HydrophobicContact CG2-CE 3.46Å; I186-M191 VanDerWaalsContact CG2-CE 3.46Å; I186-M191 HydrophobicContact CG2-CG 4.15Å; I186-M191 HydrophobicContact CG2-SD 3.84Å; I186-M191 PolarHBondContact O-N 3.16Å; I186-M191 VanDerWaalsContact O-N 3.12Å
187	L	98.8	Very high	98.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.	I	π-helix	trans	-60.9	-43.8	178.9	-71.5	175.7	0	0	0	112.2	F129 V141 V151 L172 A175 V183 L184 K185 M191 G192 A193	F129-L187 HydrophobicContact CE1-CD2 3.66Å; F129-L187 HydrophobicContact CZ-CD2 3.43Å; F129-L187 VanDerWaalsContact CZ-CD2 3.43Å; V141-L187 HydrophobicContact CG1-CD2 4.34Å; V151-L187 HydrophobicContact CG1-CD2 4.13Å; L172-L187 HydrophobicContact CB-CD1 4.39Å; L172-L187 HydrophobicContact CD1-CB 3.88Å; L172-L187 HydrophobicContact CD1-CD1 4.15Å; A175-L187 HydrophobicContact CB-CD1 4.05Å; V183-L187 HydrophobicContact CG1-CD1 3.84Å; V183-L187 HydrophobicContact CG1-CG 4.14Å; V183-L187 WeakPolarHBondContact O-CB 3.32Å; V183-L187 VanDerWaalsContact O-CG 3.25Å; V183-L187 WeakPolarHBondContact O-CG 3.44Å; V183-L187 PolarHBondContact O-N 2.99Å; L184-L187 PolarHBondContact O-N 3.19Å; K185-L187 VanDerWaalsContact C-N 3.27Å; K185-L187 PolarHBondContact O-N 3.43Å; L187-M191 HydrophobicContact CD2-SD 4.06Å; L187-M191 CarbonylContact O-C 3.52Å; L187-G192 PolarHBondContact O-N 2.84Å; L187-A193 HydrophobicContact CB-CB 3.95Å; L187-A193 WeakPolarHBondContact O-CB 3.49Å; L187-A193 PolarHBondContact O-N 3.32Å
188	L	98.6	Very high	98.1	Very high	17 Å²	17	42.3 Å²	42.3	9%	0.089	23%	0.23	C	C	.	.	I	π-helix	trans	-77.7	-50.4	-177.8	-67.6	167.7	0	0	0	112.6	L172 L184 K185 I186 V195 L225 H228	L172-L188 HydrophobicContact CD1-CD1 4.43Å; L172-L188 HydrophobicContact CD1-CD2 3.85Å; L172-L188 HydrophobicContact CD1-CG 3.84Å; L172-L188 HydrophobicContact CD2-CD2 3.99Å; L184-L188 HydrophobicContact CD2-CD1 4.25Å; L184-L188 HydrophobicContact CG-CD1 4.09Å; L184-L188 WeakPolarHBondContact O-CG 3.4Å; L184-L188 PolarHBondContact O-N 3.01Å; K185-L188 PolarHBondContact O-N 3.24Å; K185-L188 VanDerWaalsContact O-N 3.14Å; I186-L188 PolarHBondContact O-N 3.15Å; L188-V195 HydrophobicContact CD2-CB 3.96Å; L188-V195 HydrophobicContact CD2-CG2 3.99Å; L188-L225 HydrophobicContact CD1-CD2 4.28Å; L188-H228 HydrophobicContact CD1-CB 4.35Å; L188-H228 HydrophobicContact CD2-CB 4.22Å
189	D	98.2	Very high	98.2	Very high	104 Å²	104	38.2 Å²	38.2	56%	0.556	21%	0.211	S	C	*	.	I	π-helix	trans	-80.2	-39.7	-171.6	-66	-46.5	0	0	0	112.7	K185 H228	K185-D189 VanDerWaalsContact O-CB 3.27Å; K185-D189 WeakPolarHBondContact O-CB 3.06Å; K185-D189 PolarHBondContact O-N 3.21Å; D189-H228 IonicContact OD1-CE1 2.76Å; D189-H228 PolarHBondContact OD1-CE1 2.91Å; D189-H228 IonicContact OD1-NE2 3.98Å; D189-H228 PolarHBondContact OD1-NE2 3.48Å
190	E	98.1	Very high	98.2	Very high	105 Å²	105	40.2 Å²	40.2	49%	0.491	22%	0.222	S	C	.	.	I	π-helix	trans	-106.2	-30.7	-169.9	-57	-178.9	-160.2	0	0	113	K142 I186	K142-E190 VanDerWaalsContact CE-OE2 3.31Å; K142-E190 WeakPolarHBondContact CE-OE2 3.47Å; K142-E190 IonicContact NZ-OE1 3.67Å; K142-E190 PolarHBondContact NZ-OE1 2.96Å; K142-E190 IonicContact NZ-OE2 2.65Å; K142-E190 PolarHBondContact NZ-OE2 3.33Å; I186-E190 HydrophobicContact CG2-CB 4.37Å; I186-E190 WeakPolarHBondContact O-CA 3.38Å; I186-E190 WeakPolarHBondContact O-CB 3.49Å; I186-E190 PolarHBondContact O-N 3.44Å
191	M	98.4	Very high	98.1	Very high	10 Å²	10	40.2 Å²	40.2	5%	0.049	22%	0.222	C	C	.	.	S	Bend	trans	-113.1	0.1	-165.7	-60.8	-175.2	172.9	0	0	115	F129 V141 K142 Y145 V151 I186 L187 A193	F129-M191 HydrophobicContact CE2-SD 4.02Å; F129-M191 HydrophobicContact CZ-SD 3.83Å; V141-M191 HydrophobicContact CG1-CE 3.97Å; V141-M191 HydrophobicContact CG1-SD 3.87Å; K142-M191 HydrophobicContact CB-CE 4.44Å; K142-M191 HydrophobicContact CG-CE 3.97Å; Y145-M191 VanDerWaalsContact CB-CE 3.47Å; Y145-M191 HydrophobicContact CD1-CE 3.9Å; Y145-M191 HydrophobicContact CD1-CG 4.1Å; Y145-M191 HydrophobicContact CD1-SD 4.42Å; Y145-M191 HydrophobicContact CD2-CB 4.1Å; Y145-M191 HydrophobicContact CD2-CE 4.44Å; Y145-M191 HydrophobicContact CD2-CG 3.87Å; Y145-M191 HydrophobicContact CD2-SD 3.99Å; Y145-M191 HydrophobicContact CE1-CG 4.23Å; Y145-M191 HydrophobicContact CE2-CB 3.91Å; Y145-M191 HydrophobicContact CE2-CG 4Å; Y145-M191 HydrophobicContact CG-CE 3.69Å; Y145-M191 HydrophobicContact CG-CG 3.92Å; Y145-M191 HydrophobicContact CG-SD 3.83Å; V151-M191 HydrophobicContact CG1-CB 4.29Å; V151-M191 HydrophobicContact CG2-CB 3.99Å; I186-M191 HydrophobicContact CG2-CE 3.46Å; I186-M191 VanDerWaalsContact CG2-CE 3.46Å; I186-M191 HydrophobicContact CG2-CG 4.15Å; I186-M191 HydrophobicContact CG2-SD 3.84Å; I186-M191 PolarHBondContact O-N 3.16Å; I186-M191 VanDerWaalsContact O-N 3.12Å; L187-M191 HydrophobicContact CD2-SD 4.06Å; L187-M191 CarbonylContact O-C 3.52Å; M191-A193 PolarHBondContact O-N 3.5Å
192	G	97.7	Very high	98	Very high	53 Å²	53	39.6 Å²	39.6	55%	0.546	23%	0.226	S	C	.	.			trans	64.5	37.2	175.9	0	0	0	0	0	113.6	N152 L187	N152-G192 PolarHBondContact ND2-O 2.8Å; N152-G192 VanDerWaalsContact ND2-O 3.07Å; L187-G192 PolarHBondContact O-N 2.84Å
193	A	98.6	Very high	98	Very high	13 Å²	13	36.4 Å²	36.4	11%	0.107	21%	0.21	C	C	.	.			trans	-63.9	134	174	0	0	0	0	0	111.1	V151 N152 L172 L187 M191 V195	V151-A193 HydrophobicContact CG1-CB 3.81Å; N152-A193 WeakPolarHBondContact OD1-CA 3.27Å; L172-A193 HydrophobicContact CB-CB 4.34Å; L172-A193 HydrophobicContact CD1-CB 4.2Å; L172-A193 HydrophobicContact CD2-CB 4.32Å; L187-A193 HydrophobicContact CB-CB 3.95Å; L187-A193 WeakPolarHBondContact O-CB 3.49Å; L187-A193 PolarHBondContact O-N 3.32Å; M191-A193 PolarHBondContact O-N 3.5Å; A193-V195 PolarHBondContact O-N 3.16Å; A193-V195 VanDerWaalsContact O-N 3.13Å
194	D	98.6	Very high	98	Very high	83 Å²	83	36.4 Å²	36.4	44%	0.444	21%	0.21	S	C	.	.			trans	-73.8	103.6	175	-179.2	0.7	0	0	0	110.1	N152 N196 A197	N152-D194 PolarHBondContact OD1-N 3.14Å; D194-N196 PolarHBondContact O-N 3.26Å; D194-N196 PolarHBondContact OD1-N 3.36Å; D194-A197 HydrophobicContact CB-CB 4.14Å; D194-A197 WeakPolarHBondContact O-CB 3.48Å; D194-A197 PolarHBondContact O-N 3.45Å; D194-A197 PolarHBondContact OD1-N 3.13Å
195	V	98.6	Very high	98	Very high	15 Å²	15	36.5 Å²	36.5	9%	0.091	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-26	-179.9	73.1	0	0	0	0	113.3	L172 L188 A193 L225 H228 A230	L172-V195 HydrophobicContact CD2-CB 4.41Å; L172-V195 HydrophobicContact CD2-CG2 4.5Å; L188-V195 HydrophobicContact CD2-CB 3.96Å; L188-V195 HydrophobicContact CD2-CG2 3.99Å; A193-V195 PolarHBondContact O-N 3.16Å; A193-V195 VanDerWaalsContact O-N 3.13Å; V195-L225 HydrophobicContact CG2-CD2 3.91Å; V195-H228 HydrophobicContact CG2-CB 4.29Å; V195-A230 HydrophobicContact CG2-CB 3.84Å
196	N	98.5	Very high	97.9	Very high	65 Å²	65	32.9 Å²	32.9	35%	0.348	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	6.7	-174.8	-72.7	-44.8	0	0	0	113.5	D194 C198 G229 A230 D231	D194-N196 PolarHBondContact O-N 3.26Å; D194-N196 PolarHBondContact OD1-N 3.36Å; N196-C198 PolarHBondContact O-N 2.94Å; N196-C198 PolarHBondContact O-SG 3.37Å; N196-G229 PolarHBondContact ND2-O 3.35Å; N196-A230 WeakPolarHBondContact OD1-CA 3.44Å; N196-D231 PolarHBondContact OD1-N 2.91Å
197	A	98.4	Very high	97.9	Very high	14 Å²	14	32.8 Å²	32.8	12%	0.116	19%	0.194	C	C	.	.			trans	-54.2	140.9	169.5	0	0	0	0	0	110.1	T170 M173 D194 N204	T170-A197 HydrophobicContact CG2-CB 4.02Å; M173-A197 VanDerWaalsContact CE-C 3.44Å; M173-A197 HydrophobicContact CE-CB 4.24Å; M173-A197 WeakPolarHBondContact CE-O 3.29Å; D194-A197 HydrophobicContact CB-CB 4.14Å; D194-A197 WeakPolarHBondContact O-CB 3.48Å; D194-A197 PolarHBondContact O-N 3.45Å; D194-A197 PolarHBondContact OD1-N 3.13Å; A197-N204 WeakPolarHBondContact O-CA 3.31Å
198	C	98	Very high	97.8	Very high	38 Å²	38	33.4 Å²	33.4	26%	0.257	20%	0.197	S	C	.	.			trans	-120.1	141.4	179.9	-69.6	0	0	0	0	111.4	R154 N196 R203	R154-C198 VanDerWaalsContact CZ-O 3.29Å; R154-C198 PolarHBondContact NE-O 2.69Å; R154-C198 PolarHBondContact NH2-O 3.01Å; N196-C198 PolarHBondContact O-N 2.94Å; N196-C198 PolarHBondContact O-SG 3.37Å; C198-R203 WeakPolarHBondContact CA-O 3.24Å
199	D	97.9	Very high	97.7	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.027	19%	0.193	C	C	.	.			trans	-74	-179.4	170.4	75.8	8.9	0	0	0	111.8	A169 M173 M201 G202 R203 H208	A169-D199 HydrophobicContact CB-CB 4.03Å; M173-D199 HydrophobicContact CE-CB 4.43Å; M173-D199 HydrophobicContact SD-CB 4.07Å; D199-M201 PolarHBondContact O-N 3.26Å; D199-M201 WeakPolarHBondContact OD1-CA 3.3Å; D199-M201 WeakPolarHBondContact OD1-CB 3.35Å; D199-M201 PolarHBondContact OD1-N 3.14Å; D199-G202 PolarHBondContact O-N 3.12Å; D199-G202 PolarHBondContact OD1-N 3.49Å; D199-G202 VanDerWaalsContact OD1-N 3.14Å; D199-R203 PolarHBondContact N-O 2.93Å; D199-R203 WeakPolarHBondContact OD1-CB 3.47Å; D199-R203 PolarHBondContact OD1-N 2.95Å; D199-R203 IonicContact OD1-NE 2.63Å; D199-R203 IonicContact OD2-CZ 2.78Å; D199-R203 IonicContact OD2-NE 2.84Å; D199-R203 PolarHBondContact OD2-NE 3.42Å; D199-R203 IonicContact OD2-NH2 2.99Å; D199-R203 PolarHBondContact OD2-NH2 2.91Å; D199-H208 IonicContact OD2-CE1 2.75Å; D199-H208 PolarHBondContact OD2-CE1 3.5Å; D199-H208 IonicContact OD2-NE2 2.71Å; D199-H208 PolarHBondContact OD2-NE2 3.02Å
200	N	96.3	Very high	97.6	Very high	44 Å²	44	27.7 Å²	27.7	24%	0.235	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-11.3	-177.5	-70.1	-11.3	0	0	0	113.5	R154 R165 K166 G167	R154-N200 PolarHBondContact NH2-OD1 3.04Å; R165-N200 WeakPolarHBondContact CB-O 3.14Å; R165-N200 CarbonylContact O-C 3.57Å; R165-N200 VanDerWaalsContact O-CB 3.26Å; R165-N200 WeakPolarHBondContact O-CB 3.48Å; K166-N200 PolarHBondContact O-ND2 3.44Å; G167-N200 WeakPolarHBondContact O-CB 3.5Å; G167-N200 PolarHBondContact O-N 3Å; G167-N200 VanDerWaalsContact O-N 3.08Å
201	M	95.3	Very high	97.3	Very high	51 Å²	51	26.1 Å²	26.1	25%	0.251	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-0.6	170.7	-60.7	-171.8	170.9	0	0	112.6	R165 K166 D199 R203 E237	R165-M201 HydrophobicContact CB-CG 4.05Å; R165-M201 WeakPolarHBondContact O-CG 3.4Å; K166-M201 HydrophobicContact CG-CE 4.33Å; D199-M201 PolarHBondContact O-N 3.26Å; D199-M201 WeakPolarHBondContact OD1-CA 3.3Å; D199-M201 WeakPolarHBondContact OD1-CB 3.35Å; D199-M201 PolarHBondContact OD1-N 3.14Å; M201-R203 HydrophobicContact CB-CG 4.2Å; M201-R203 PolarHBondContact SD-NH2 3.47Å; M201-R203 VanDerWaalsContact SD-NH2 3.4Å; M201-E237 HydrophobicContact SD-CG 3.95Å
202	G	95.6	Very high	96.6	Very high	29 Å²	29	26.8 Å²	26.8	30%	0.299	17%	0.167	S	C	.	.	S	Bend	trans	82.6	14.6	-177.7	0	0	0	0	0	114.1	D199	D199-G202 PolarHBondContact O-N 3.12Å; D199-G202 PolarHBondContact OD1-N 3.49Å; D199-G202 VanDerWaalsContact OD1-N 3.14Å
203	R	97.9	Very high	95.1	Very high	39 Å²	39	27.8 Å²	27.8	15%	0.147	16%	0.164	C	C	.	.			trans	-90.1	130	-178.6	-56.5	177.9	-64.8	-155.5	-8	110.8	M173 C198 D199 M201 I207 E237	M173-R203 WeakPolarHBondContact CE-O 3.35Å; C198-R203 WeakPolarHBondContact CA-O 3.24Å; D199-R203 PolarHBondContact N-O 2.93Å; D199-R203 WeakPolarHBondContact OD1-CB 3.47Å; D199-R203 PolarHBondContact OD1-N 2.95Å; D199-R203 IonicContact OD1-NE 2.63Å; D199-R203 IonicContact OD2-CZ 2.78Å; D199-R203 IonicContact OD2-NE 2.84Å; D199-R203 PolarHBondContact OD2-NE 3.42Å; D199-R203 IonicContact OD2-NH2 2.99Å; D199-R203 PolarHBondContact OD2-NH2 2.91Å; M201-R203 HydrophobicContact CB-CG 4.2Å; M201-R203 PolarHBondContact SD-NH2 3.47Å; M201-R203 VanDerWaalsContact SD-NH2 3.4Å; R203-I207 HydrophobicContact CB-CB 4.1Å; R203-I207 HydrophobicContact CB-CG2 3.86Å; R203-I207 HydrophobicContact CG-CB 4.49Å; R203-I207 HydrophobicContact CG-CG2 3.76Å; R203-E237 IonicContact CZ-OE1 3.78Å; R203-E237 IonicContact NH1-OE1 2.71Å; R203-E237 PolarHBondContact NH1-OE1 3.37Å
204	N	98.3	Very high	93.8	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.198	C	C	.	.			trans	-92.2	177.6	169.3	69.7	4.9	0	0	0	111.6	A197 L206 I207 H208 D231 V234	A197-N204 WeakPolarHBondContact O-CA 3.31Å; N204-L206 PolarHBondContact O-N 3.31Å; N204-L206 WeakPolarHBondContact OD1-CB 3.25Å; N204-L206 PolarHBondContact OD1-N 3.49Å; N204-I207 PolarHBondContact O-N 3.48Å; N204-I207 PolarHBondContact OD1-N 2.96Å; N204-H208 PolarHBondContact O-CD2 3.41Å; N204-H208 VanDerWaalsContact O-CD2 3.24Å; N204-H208 PolarHBondContact O-N 2.92Å; N204-H208 VanDerWaalsContact O-N 3.13Å; N204-D231 PolarHBondContact ND2-O 2.79Å; N204-D231 VanDerWaalsContact ND2-O 3.08Å; N204-V234 HydrophobicContact CB-CG1 4.48Å
205	A	98.3	Very high	92.8	Very high	2 Å²	2	32.7 Å²	32.7	2%	0.017	18%	0.182	C	C	.	.	H	α-helix	trans	-58.3	-32.2	179.8	0	0	0	0	0	113.4	L172 M173 A176 H208 A209 L225	L172-A205 HydrophobicContact CD2-CB 3.95Å; L172-A205 HydrophobicContact CG-CB 3.98Å; M173-A205 HydrophobicContact CG-CB 4.28Å; A176-A205 HydrophobicContact CB-CB 4.15Å; A176-A205 WeakPolarHBondContact CB-O 3.25Å; A205-H208 PolarHBondContact O-N 3.11Å; A205-A209 PolarHBondContact O-N 3.1Å; A205-L225 HydrophobicContact CB-CD1 4.19Å; A205-L225 HydrophobicContact CB-CD2 3.84Å
206	L	98.1	Very high	92.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.5	-44.7	177.1	178	61.7	0	0	0	111.9	N204 H208 A209 L210 T222 L225 L226 A230 V232 P242 L258	N204-L206 PolarHBondContact O-N 3.31Å; N204-L206 WeakPolarHBondContact OD1-CB 3.25Å; N204-L206 PolarHBondContact OD1-N 3.49Å; L206-H208 VanDerWaalsContact C-N 3.35Å; L206-A209 PolarHBondContact O-N 3.01Å; L206-L210 HydrophobicContact CD1-CD1 4.11Å; L206-L210 HydrophobicContact CD1-CG 4.47Å; L206-L210 HydrophobicContact CG-CD1 4.23Å; L206-L210 WeakPolarHBondContact O-CG 3.39Å; L206-L210 PolarHBondContact O-N 3.12Å; L206-T222 HydrophobicContact CD1-CG2 3.81Å; L206-L225 HydrophobicContact CB-CD1 4.31Å; L206-L226 HydrophobicContact CD2-CD2 3.93Å; L206-A230 HydrophobicContact CB-CB 4.33Å; L206-A230 HydrophobicContact CD2-CB 4.45Å; L206-V232 HydrophobicContact CD2-CG1 4.09Å; L206-P242 HydrophobicContact CD2-CB 3.97Å; L206-P242 HydrophobicContact CD2-CG 3.81Å; L206-P242 HydrophobicContact CG-CB 4.25Å; L206-P242 HydrophobicContact CG-CG 4.17Å; L206-L258 HydrophobicContact CD2-CD2 4.38Å
207	I	97.9	Very high	92	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-44.8	173.3	-67.2	-67.7	0	0	0	111	R203 N204 A209 L210 L211 V234 P242 L245	R203-I207 HydrophobicContact CB-CB 4.1Å; R203-I207 HydrophobicContact CB-CG2 3.86Å; R203-I207 HydrophobicContact CG-CB 4.49Å; R203-I207 HydrophobicContact CG-CG2 3.76Å; N204-I207 PolarHBondContact O-N 3.48Å; N204-I207 PolarHBondContact OD1-N 2.96Å; I207-A209 VanDerWaalsContact C-N 3.3Å; I207-A209 PolarHBondContact O-N 3.05Å; I207-L210 PolarHBondContact O-N 3.29Å; I207-L210 VanDerWaalsContact O-N 3.15Å; I207-L211 HydrophobicContact CG2-CD1 3.8Å; I207-L211 HydrophobicContact CG2-CG 4.11Å; I207-L211 VanDerWaalsContact O-CG 3.31Å; I207-L211 WeakPolarHBondContact O-CG 3.23Å; I207-L211 PolarHBondContact O-N 3.45Å; I207-V234 HydrophobicContact CB-CG1 4.49Å; I207-V234 HydrophobicContact CD1-CG1 3.95Å; I207-V234 HydrophobicContact CG1-CG1 3.24Å; I207-P242 HydrophobicContact CD1-CG 3.77Å; I207-L245 HydrophobicContact CD1-CD1 3.79Å; I207-L245 HydrophobicContact CG2-CD1 4.31Å
208	H	96.8	Very high	91.8	Very high	14 Å²	14	43.5 Å²	43.5	7%	0.065	22%	0.22	C	C	.	.	H	α-helix	trans	-59.8	-38.8	179.5	-82.9	-79.9	0	0	0	112.6	M173 K177 D199 N204 A205 L206	M173-H208 HydrophobicContact CB-CB 4.33Å; K177-H208 HydrophobicContact CB-CB 4.24Å; D199-H208 IonicContact OD2-CE1 2.75Å; D199-H208 PolarHBondContact OD2-CE1 3.5Å; D199-H208 IonicContact OD2-NE2 2.71Å; D199-H208 PolarHBondContact OD2-NE2 3.02Å; N204-H208 PolarHBondContact O-CD2 3.41Å; N204-H208 VanDerWaalsContact O-CD2 3.24Å; N204-H208 PolarHBondContact O-N 2.92Å; N204-H208 VanDerWaalsContact O-N 3.13Å; A205-H208 PolarHBondContact O-N 3.11Å; L206-H208 VanDerWaalsContact C-N 3.35Å
209	A	96.3	Very high	91.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-43.8	173.6	0	0	0	0	0	112.5	A176 A205 L206 I207 L211 S212 I221 L225	A176-A209 HydrophobicContact CB-CB 4.25Å; A205-A209 PolarHBondContact O-N 3.1Å; L206-A209 PolarHBondContact O-N 3.01Å; I207-A209 VanDerWaalsContact C-N 3.3Å; I207-A209 PolarHBondContact O-N 3.05Å; A209-L211 PolarHBondContact O-N 3Å; A209-S212 PolarHBondContact O-N 2.89Å; A209-I221 HydrophobicContact CB-CG2 3.58Å; A209-L225 HydrophobicContact CB-CD1 4.38Å
210	L	95.7	Very high	91.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-77	-19.3	-175.1	-66.1	172	0	0	0	114	L206 I207 S212 V218 P242 L245 N249 L254	L206-L210 HydrophobicContact CD1-CD1 4.11Å; L206-L210 HydrophobicContact CD1-CG 4.47Å; L206-L210 HydrophobicContact CG-CD1 4.23Å; L206-L210 WeakPolarHBondContact O-CG 3.39Å; L206-L210 PolarHBondContact O-N 3.12Å; I207-L210 PolarHBondContact O-N 3.29Å; I207-L210 VanDerWaalsContact O-N 3.15Å; L210-S212 PolarHBondContact O-N 3.23Å; L210-V218 HydrophobicContact CD2-CG2 4.08Å; L210-P242 HydrophobicContact CD1-CB 3.57Å; L210-L245 HydrophobicContact CB-CB 3.97Å; L210-L245 HydrophobicContact CB-CD1 3.94Å; L210-L245 HydrophobicContact CD1-CB 4.45Å; L210-N249 PolarHBondContact O-ND2 3.11Å; L210-L254 HydrophobicContact CD2-CD1 3.75Å
211	L	92	Very high	91.6	Very high	72 Å²	72	45.2 Å²	45.2	38%	0.377	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-8.4	173.7	-72.8	174.2	0	0	0	113.6	I207 A209 P213 L245	I207-L211 HydrophobicContact CG2-CD1 3.8Å; I207-L211 HydrophobicContact CG2-CG 4.11Å; I207-L211 VanDerWaalsContact O-CG 3.31Å; I207-L211 WeakPolarHBondContact O-CG 3.23Å; I207-L211 PolarHBondContact O-N 3.45Å; A209-L211 PolarHBondContact O-N 3Å; L211-P213 VanDerWaalsContact C-CD 3.43Å; L211-P213 WeakPolarHBondContact O-CD 3.38Å; L211-L245 HydrophobicContact CD2-CD1 4.31Å; L211-L245 HydrophobicContact CD2-CD2 4.02Å
212	S	83	Confident	91.7	Very high	25 Å²	25	42.8 Å²	42.8	18%	0.175	22%	0.217	C	C	.	.			trans	-106.9	75.7	179	-69.8	0	0	0	0	111.2	K177 A209 L210 H214 N215	K177-S212 WeakPolarHBondContact CG-OG 3.38Å; K177-S212 WeakPolarHBondContact O-CB 3.08Å; K177-S212 PolarHBondContact O-OG 3.21Å; K177-S212 VanDerWaalsContact O-OG 3.05Å; A209-S212 PolarHBondContact O-N 2.89Å; L210-S212 PolarHBondContact O-N 3.23Å; S212-H214 PolarHBondContact O-N 2.9Å; S212-N215 WeakPolarHBondContact O-CB 3.47Å; S212-N215 PolarHBondContact O-N 3.18Å
213	P	67.6	Low	91.7	Very high	74 Å²	74	44.3 Å²	44.3	48%	0.481	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.8	-173.1	26.3	-36.3	0	0	0	114.7	L211	L211-P213 VanDerWaalsContact C-CD 3.43Å; L211-P213 WeakPolarHBondContact O-CD 3.38Å
214	H	70.5	Confident	91.7	Very high	176 Å²	176	43.8 Å²	43.8	82%	0.815	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	-0.1	178.1	-58.5	-48.2	0	0	0	113.5	S212 R216	S212-H214 PolarHBondContact O-N 2.9Å; H214-R216 PolarHBondContact O-N 2.71Å
215	N	78.7	Confident	91.7	Very high	22 Å²	22	43.7 Å²	43.7	12%	0.118	22%	0.216	C	C	.	.			trans	-75.5	109.9	178.1	-170.5	-23.4	0	0	0	110	K177 G179 S212 N217 V218	K177-N215 PolarHBondContact O-ND2 3.32Å; K177-N215 VanDerWaalsContact O-ND2 3.13Å; G179-N215 WeakPolarHBondContact CA-ND2 3.17Å; G179-N215 PolarHBondContact N-ND2 3.25Å; S212-N215 WeakPolarHBondContact O-CB 3.47Å; S212-N215 PolarHBondContact O-N 3.18Å; N215-N217 PolarHBondContact O-N 3.41Å; N215-N217 VanDerWaalsContact O-N 3.12Å; N215-N217 WeakPolarHBondContact OD1-CB 3.38Å; N215-N217 PolarHBondContact OD1-N 2.94Å; N215-V218 HydrophobicContact CB-CB 4.47Å; N215-V218 WeakPolarHBondContact O-CB 3.38Å; N215-V218 WeakPolarHBondContact O-CG1 3.5Å; N215-V218 PolarHBondContact O-N 2.75Å
216	R	86.3	Confident	91.7	Very high	243 Å²	243	44 Å²	44	92%	0.917	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.5	-179.4	-63.3	-176.1	-178.8	-160.2	0.4	113.3	H214	H214-R216 PolarHBondContact O-N 2.71Å
217	N	92.6	Very high	91.7	Very high	67 Å²	67	49 Å²	49	36%	0.358	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	3.2	-176.9	-65.1	-19.5	0	0	0	112.9	G179 I181 N215 E219 A220 I221	G179-N217 PolarHBondContact O-ND2 2.91Å; I181-N217 HydrophobicContact CD1-CB 3.76Å; I181-N217 HydrophobicContact CG1-CB 3.88Å; N215-N217 PolarHBondContact O-N 3.41Å; N215-N217 VanDerWaalsContact O-N 3.12Å; N215-N217 WeakPolarHBondContact OD1-CB 3.38Å; N215-N217 PolarHBondContact OD1-N 2.94Å; N217-E219 PolarHBondContact O-N 2.96Å; N217-E219 VanDerWaalsContact O-N 3.14Å; N217-A220 PolarHBondContact O-N 3.32Å; N217-A220 VanDerWaalsContact O-N 3.12Å; N217-I221 HydrophobicContact CB-CG1 4.29Å; N217-I221 VanDerWaalsContact O-CG1 3.3Å; N217-I221 WeakPolarHBondContact O-CG1 3.48Å; N217-I221 PolarHBondContact O-N 3.46Å
218	V	94.6	Very high	91.7	Very high	11 Å²	11	52.2 Å²	52.2	7%	0.067	26%	0.259	C	S	.	.	H	α-helix	trans	-54.5	-37	-173.3	66.5	0	0	0	0	113.3	L210 N215 T222 L254	L210-V218 HydrophobicContact CD2-CG2 4.08Å; N215-V218 HydrophobicContact CB-CB 4.47Å; N215-V218 WeakPolarHBondContact O-CB 3.38Å; N215-V218 WeakPolarHBondContact O-CG1 3.5Å; N215-V218 PolarHBondContact O-N 2.75Å; V218-T222 VanDerWaalsContact O-CB 3.23Å; V218-T222 WeakPolarHBondContact O-CB 3.35Å; V218-T222 PolarHBondContact O-N 3.49Å; V218-T222 PolarHBondContact O-OG1 3.32Å; V218-L254 HydrophobicContact CG1-CD1 4.12Å; V218-L254 HydrophobicContact CG2-CD1 4.12Å
219	E	94.3	Very high	91.8	Very high	84 Å²	84	53.7 Å²	53.7	39%	0.393	28%	0.278	S	S	.	.	H	α-helix	trans	-64.1	-55.1	176.9	-173.8	169.3	-162.9	0	0	110.9	N217 I221 T222 H223 H251 L254	N217-E219 PolarHBondContact O-N 2.96Å; N217-E219 VanDerWaalsContact O-N 3.14Å; E219-I221 VanDerWaalsContact C-N 3.32Å; E219-I221 PolarHBondContact O-N 3.38Å; E219-T222 PolarHBondContact O-N 3.25Å; E219-T222 VanDerWaalsContact O-N 3.11Å; E219-H223 PolarHBondContact O-CD2 3.31Å; E219-H223 PolarHBondContact O-N 2.9Å; E219-H223 IonicContact OE1-NE2 2.77Å; E219-H251 IonicContact OE2-CE1 3.99Å; E219-L254 HydrophobicContact CB-CD2 4.31Å
220	A	96.2	Very high	91.8	Very high	40 Å²	40	54 Å²	54	33%	0.331	28%	0.281	S	S	.	.	H	α-helix	trans	-59	-41.6	178.6	0	0	0	0	0	112.8	I181 N217 H223 L224	I181-A220 HydrophobicContact CD1-CB 3.69Å; I181-A220 HydrophobicContact CG1-CB 4.24Å; N217-A220 PolarHBondContact O-N 3.32Å; N217-A220 VanDerWaalsContact O-N 3.12Å; A220-H223 PolarHBondContact O-N 3.38Å; A220-L224 WeakPolarHBondContact O-CG 3.48Å; A220-L224 PolarHBondContact O-N 3Å
221	I	97.3	Very high	92	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-62.4	-45.8	175.5	-64.6	-69.1	0	0	0	110.5	A176 I181 L184 A209 N217 E219 L224 L225	A176-I221 HydrophobicContact CB-CG2 4.01Å; I181-I221 HydrophobicContact CB-CD1 4.36Å; I181-I221 HydrophobicContact CG1-CD1 3.84Å; I181-I221 HydrophobicContact CG1-CG1 4.24Å; L184-I221 HydrophobicContact CB-CD1 4.22Å; L184-I221 HydrophobicContact CD2-CB 4.47Å; L184-I221 HydrophobicContact CD2-CD1 3.75Å; L184-I221 HydrophobicContact CD2-CG2 3.92Å; A209-I221 HydrophobicContact CB-CG2 3.58Å; N217-I221 HydrophobicContact CB-CG1 4.29Å; N217-I221 VanDerWaalsContact O-CG1 3.3Å; N217-I221 WeakPolarHBondContact O-CG1 3.48Å; N217-I221 PolarHBondContact O-N 3.46Å; E219-I221 VanDerWaalsContact C-N 3.32Å; E219-I221 PolarHBondContact O-N 3.38Å; I221-L224 PolarHBondContact O-N 2.83Å; I221-L225 HydrophobicContact CG2-CD1 3.85Å; I221-L225 HydrophobicContact CG2-CG 4.48Å; I221-L225 VanDerWaalsContact O-CG 3.3Å; I221-L225 WeakPolarHBondContact O-CG 3.49Å; I221-L225 PolarHBondContact O-N 3.41Å
222	T	97.2	Very high	92.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-62.3	-46.3	178.7	-61.5	0	0	0	0	111.1	L206 V218 E219 L224 L225 L226 L254	L206-T222 HydrophobicContact CD1-CG2 3.81Å; V218-T222 VanDerWaalsContact O-CB 3.23Å; V218-T222 WeakPolarHBondContact O-CB 3.35Å; V218-T222 PolarHBondContact O-N 3.49Å; V218-T222 PolarHBondContact O-OG1 3.32Å; E219-T222 PolarHBondContact O-N 3.25Å; E219-T222 VanDerWaalsContact O-N 3.11Å; T222-L224 PolarHBondContact O-N 3.49Å; T222-L225 PolarHBondContact O-N 3.03Å; T222-L226 HydrophobicContact CG2-CD1 3.69Å; T222-L226 HydrophobicContact CG2-CG 4.23Å; T222-L226 WeakPolarHBondContact O-CB 3.46Å; T222-L226 WeakPolarHBondContact O-CG 3.35Å; T222-L226 PolarHBondContact O-N 3.07Å; T222-L254 HydrophobicContact CG2-CD2 4.01Å
223	H	97	Very high	92.9	Very high	60 Å²	60	55.3 Å²	55.3	28%	0.278	29%	0.286	S	S	.	.	H	α-helix	trans	-56.4	-50.6	175.4	-77.4	-76.8	0	0	0	111.6	E219 A220 L225 L226 D227 R257	E219-H223 PolarHBondContact O-CD2 3.31Å; E219-H223 PolarHBondContact O-N 2.9Å; E219-H223 IonicContact OE1-NE2 2.77Å; A220-H223 PolarHBondContact O-N 3.38Å; H223-L225 PolarHBondContact O-N 3.07Å; H223-L226 PolarHBondContact O-N 2.76Å; H223-D227 WeakPolarHBondContact O-CB 3.32Å; H223-D227 PolarHBondContact O-N 3.37Å; H223-R257 VanDerWaalsContact CE1-CD 3.4Å; H223-R257 WeakPolarHBondContact CE1-CD 3.44Å; H223-R257 VanDerWaalsContact CE1-CG 3.45Å; H223-R257 WeakPolarHBondContact CE1-CG 3.39Å; H223-R257 VanDerWaalsContact ND1-CD 3.35Å; H223-R257 WeakPolarHBondContact ND1-CD 3.25Å; H223-R257 PolarHBondContact ND1-NE 3.39Å
224	L	97.8	Very high	94.3	Very high	28 Å²	28	52.8 Å²	52.8	15%	0.147	27%	0.27	C	S	.	.	H	α-helix	trans	-58.6	-45.3	180	-74.8	169.2	0	0	0	112.7	I181 L184 K185 A220 I221 T222 D227 H228	I181-L224 HydrophobicContact CG2-CD1 3.82Å; L184-L224 HydrophobicContact CD2-CB 4.2Å; L184-L224 HydrophobicContact CD2-CD1 4.4Å; K185-L224 HydrophobicContact CD-CD1 4.36Å; K185-L224 HydrophobicContact CG-CD1 3.67Å; K185-L224 HydrophobicContact CG-CD2 3.94Å; K185-L224 HydrophobicContact CG-CG 4.47Å; A220-L224 WeakPolarHBondContact O-CG 3.48Å; A220-L224 PolarHBondContact O-N 3Å; I221-L224 PolarHBondContact O-N 2.83Å; T222-L224 PolarHBondContact O-N 3.49Å; L224-D227 PolarHBondContact O-N 3.38Å; L224-H228 PolarHBondContact O-N 3.16Å; L224-H228 VanDerWaalsContact O-N 3.15Å; L224-H228 PolarHBondContact O-ND1 3.45Å
225	L	98.4	Very high	95.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.4	-43.9	178.6	-70	170.2	0	0	0	111.5	L172 A176 L184 L188 V195 A205 L206 A209 I221 T222 H223 H228 G229 A230	L172-L225 HydrophobicContact CD2-CD2 4.47Å; A176-L225 HydrophobicContact CB-CD1 4.25Å; L184-L225 HydrophobicContact CD1-CD2 4.45Å; L184-L225 HydrophobicContact CD2-CD2 4.09Å; L184-L225 HydrophobicContact CD2-CG 4.02Å; L188-L225 HydrophobicContact CD1-CD2 4.28Å; V195-L225 HydrophobicContact CG2-CD2 3.91Å; A205-L225 HydrophobicContact CB-CD1 4.19Å; A205-L225 HydrophobicContact CB-CD2 3.84Å; L206-L225 HydrophobicContact CB-CD1 4.31Å; A209-L225 HydrophobicContact CB-CD1 4.38Å; I221-L225 HydrophobicContact CG2-CD1 3.85Å; I221-L225 HydrophobicContact CG2-CG 4.48Å; I221-L225 VanDerWaalsContact O-CG 3.3Å; I221-L225 WeakPolarHBondContact O-CG 3.49Å; I221-L225 PolarHBondContact O-N 3.41Å; T222-L225 PolarHBondContact O-N 3.03Å; H223-L225 PolarHBondContact O-N 3.07Å; L225-H228 CarbonylContact O-C 3.44Å; L225-H228 PolarHBondContact O-N 2.77Å; L225-G229 PolarHBondContact O-N 3.25Å; L225-A230 HydrophobicContact CB-CB 3.92Å; L225-A230 WeakPolarHBondContact O-CB 3.34Å; L225-A230 PolarHBondContact O-N 2.95Å
226	L	98.1	Very high	96	Very high	8 Å²	8	47.9 Å²	47.9	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-67.2	-38.8	178.8	-66.9	174.5	0	0	0	112.3	L206 T222 H223 H228 G229 V232 R257 L258 Q261	L206-L226 HydrophobicContact CD2-CD2 3.93Å; T222-L226 HydrophobicContact CG2-CD1 3.69Å; T222-L226 HydrophobicContact CG2-CG 4.23Å; T222-L226 WeakPolarHBondContact O-CB 3.46Å; T222-L226 WeakPolarHBondContact O-CG 3.35Å; T222-L226 PolarHBondContact O-N 3.07Å; H223-L226 PolarHBondContact O-N 2.76Å; L226-H228 PolarHBondContact O-N 3.11Å; L226-G229 PolarHBondContact O-N 3.07Å; L226-V232 HydrophobicContact CD2-CG1 3.27Å; L226-R257 HydrophobicContact CD1-CG 3.6Å; L226-L258 HydrophobicContact CD1-CD2 4.1Å; L226-L258 HydrophobicContact CD2-CD2 4.27Å; L226-Q261 HydrophobicContact CD2-CG 4.23Å
227	D	97.4	Very high	96.1	Very high	105 Å²	105	41 Å²	41	56%	0.561	22%	0.223	S	C	*	.	H	α-helix	trans	-63.8	-26.9	176.1	-67.3	-13.5	0	0	0	111.6	H223 L224 R257	H223-D227 WeakPolarHBondContact O-CB 3.32Å; H223-D227 PolarHBondContact O-N 3.37Å; L224-D227 PolarHBondContact O-N 3.38Å; D227-R257 IonicContact OD1-CZ 3.2Å; D227-R257 IonicContact OD1-NH2 2.78Å; D227-R257 PolarHBondContact OD1-NH2 3.25Å
228	H	98.3	Very high	96.1	Very high	68 Å²	68	46.3 Å²	46.3	32%	0.315	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	6.9	173.2	-72.6	82.1	0	0	0	114.1	L188 D189 V195 L224 L225 L226	L188-H228 HydrophobicContact CD1-CB 4.35Å; L188-H228 HydrophobicContact CD2-CB 4.22Å; D189-H228 IonicContact OD1-CE1 2.76Å; D189-H228 PolarHBondContact OD1-CE1 2.91Å; D189-H228 IonicContact OD1-NE2 3.98Å; D189-H228 PolarHBondContact OD1-NE2 3.48Å; V195-H228 HydrophobicContact CG2-CB 4.29Å; L224-H228 PolarHBondContact O-N 3.16Å; L224-H228 VanDerWaalsContact O-N 3.15Å; L224-H228 PolarHBondContact O-ND1 3.45Å; L225-H228 CarbonylContact O-C 3.44Å; L225-H228 PolarHBondContact O-N 2.77Å; L226-H228 PolarHBondContact O-N 3.11Å
229	G	97.6	Very high	96	Very high	45 Å²	45	46.8 Å²	46.8	46%	0.464	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	32.3	175.2	0	0	0	0	0	114.7	N196 L225 L226 D231	N196-G229 PolarHBondContact ND2-O 3.35Å; L225-G229 PolarHBondContact O-N 3.25Å; L226-G229 PolarHBondContact O-N 3.07Å; G229-D231 PolarHBondContact O-N 2.84Å
230	A	98.3	Very high	96.1	Very high	7 Å²	7	44.7 Å²	44.7	6%	0.058	24%	0.235	C	C	.	.			trans	-58.7	134.1	168.9	0	0	0	0	0	111.7	V195 N196 L206 L225 V232	V195-A230 HydrophobicContact CG2-CB 3.84Å; N196-A230 WeakPolarHBondContact OD1-CA 3.44Å; L206-A230 HydrophobicContact CB-CB 4.33Å; L206-A230 HydrophobicContact CD2-CB 4.45Å; L225-A230 HydrophobicContact CB-CB 3.92Å; L225-A230 WeakPolarHBondContact O-CB 3.34Å; L225-A230 PolarHBondContact O-N 2.95Å; A230-V232 PolarHBondContact O-N 3.19Å
231	D	98.1	Very high	96.2	Very high	71 Å²	71	43 Å²	43	38%	0.38	22%	0.221	S	C	.	.			trans	-67.9	121.8	175.8	-176.1	4.8	0	0	0	111	N196 N204 G229 N233	N196-D231 PolarHBondContact OD1-N 2.91Å; N204-D231 PolarHBondContact ND2-O 2.79Å; N204-D231 VanDerWaalsContact ND2-O 3.08Å; G229-D231 PolarHBondContact O-N 2.84Å; D231-N233 PolarHBondContact OD1-N 3.46Å
232	V	97.8	Very high	96.2	Very high	11 Å²	11	43 Å²	43	7%	0.067	22%	0.221	C	C	.	.	S	Bend	trans	-87.2	-7.5	-179.9	-66.8	0	0	0	0	114.6	L206 L226 A230 P242 L258 Q261 I264	L206-V232 HydrophobicContact CD2-CG1 4.09Å; L226-V232 HydrophobicContact CD2-CG1 3.27Å; A230-V232 PolarHBondContact O-N 3.19Å; V232-P242 WeakPolarHBondContact O-CD 3.25Å; V232-P242 WeakPolarHBondContact O-CG 3.42Å; V232-L258 HydrophobicContact CG1-CD2 3.95Å; V232-Q261 HydrophobicContact CG1-CB 4.27Å; V232-Q261 HydrophobicContact CG1-CG 3.84Å; V232-Q261 HydrophobicContact CG2-CB 4.14Å; V232-I264 HydrophobicContact CG2-CB 4.15Å; V232-I264 HydrophobicContact CG2-CG1 4.35Å
233	N	97.4	Very high	96.3	Very high	42 Å²	42	43.1 Å²	43.1	23%	0.225	22%	0.221	C	C	.	.	S	Bend	trans	-106.4	8.4	-176.7	-60	-39.7	0	0	0	113	D231 H263 E265	D231-N233 PolarHBondContact OD1-N 3.46Å; N233-H263 PolarHBondContact ND2-O 3.02Å; N233-E265 HydrophobicContact CB-CG 4.49Å; N233-E265 PolarHBondContact OD1-N 3.08Å
234	V	96.6	Very high	96.3	Very high	21 Å²	21	40.2 Å²	40.2	13%	0.127	21%	0.208	C	C	.	.			trans	-64.4	145.3	176.3	116.4	0	0	0	0	110.5	N204 I207 P242	N204-V234 HydrophobicContact CB-CG1 4.48Å; I207-V234 HydrophobicContact CB-CG1 4.49Å; I207-V234 HydrophobicContact CD1-CG1 3.95Å; I207-V234 HydrophobicContact CG1-CG1 3.24Å; V234-P242 WeakPolarHBondContact O-CD 3.5Å
235	R	93.4	Very high	96.3	Very high	85 Å²	85	39.2 Å²	39.2	32%	0.321	20%	0.203	S	C	.	.			trans	-102.7	126.1	178.4	-56.6	-49.1	-163.2	95	7.9	110.7	G239 T241 D268 T269	R235-G239 PolarHBondContact NH1-O 3.47Å; R235-T241 VanDerWaalsContact CD-CG2 3.46Å; R235-D268 IonicContact CZ-OD1 2.9Å; R235-D268 IonicContact CZ-OD2 2.85Å; R235-D268 IonicContact NE-OD2 3.63Å; R235-D268 PolarHBondContact NE-OD2 3.49Å; R235-D268 IonicContact NH2-OD1 3.04Å; R235-D268 PolarHBondContact NH2-OD1 2.89Å; R235-D268 IonicContact NH2-OD2 2.7Å; R235-D268 PolarHBondContact NH2-OD2 3.2Å; R235-T269 PolarHBondContact NH1-O 3.23Å
236	G	90.9	Very high	96.2	Very high	10 Å²	10	39.2 Å²	39.2	10%	0.103	20%	0.203	C	C	.	.			trans	-86.3	-162.3	171.1	0	0	0	0	0	113.6	G239 K240	G236-G239 PolarHBondContact O-N 2.92Å; G236-K240 PolarHBondContact N-O 3.46Å
237	E	89.7	Confident	96.2	Very high	98 Å²	98	38.9 Å²	38.9	46%	0.458	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-59.6	142.9	173	-67.7	-177.2	-157.5	0	0	110.6	M201 R203 G239 K240	M201-E237 HydrophobicContact SD-CG 3.95Å; R203-E237 IonicContact CZ-OE1 3.78Å; R203-E237 IonicContact NH1-OE1 2.71Å; R203-E237 PolarHBondContact NH1-OE1 3.37Å; E237-G239 PolarHBondContact O-N 2.92Å; E237-K240 WeakPolarHBondContact O-CG 3.37Å; E237-K240 PolarHBondContact O-N 3.24Å
238	R	91	Very high	96.2	Very high	178 Å²	178	36.6 Å²	36.6	67%	0.672	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	58	25.9	-174.3	-53.8	-175	-173.7	-170	1.1	114	K240 S271	R238-K240 HydrophobicContact CB-CG 4.41Å; R238-K240 PolarHBondContact O-N 2.95Å; R238-S271 WeakPolarHBondContact CB-OG 3.28Å; R238-S271 WeakPolarHBondContact O-CB 3.33Å; R238-S271 PolarHBondContact O-N 3Å; R238-S271 PolarHBondContact O-OG 2.89Å
239	G	93.5	Very high	95.9	Very high	21 Å²	21	35.6 Å²	35.6	22%	0.216	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	71.1	10.3	177.3	0	0	0	0	0	114.5	R235 G236 E237 T241	R235-G239 PolarHBondContact NH1-O 3.47Å; G236-G239 PolarHBondContact O-N 2.92Å; E237-G239 PolarHBondContact O-N 2.92Å; G239-T241 PolarHBondContact O-N 2.95Å
240	K	96	Very high	95.9	Very high	40 Å²	40	39.6 Å²	39.6	17%	0.174	19%	0.189	C	C	.	.			trans	-67.6	126	-176	-64.6	-175.1	172.4	-165.3	0	111.6	G236 E237 R238 I244 L245 E248 D270	G236-K240 PolarHBondContact N-O 3.46Å; E237-K240 WeakPolarHBondContact O-CG 3.37Å; E237-K240 PolarHBondContact O-N 3.24Å; R238-K240 HydrophobicContact CB-CG 4.41Å; R238-K240 PolarHBondContact O-N 2.95Å; K240-I244 HydrophobicContact CB-CG2 4.22Å; K240-I244 HydrophobicContact CG-CG2 4.13Å; K240-L245 HydrophobicContact CB-CD2 4.04Å; K240-L245 HydrophobicContact CB-CG 4.07Å; K240-L245 HydrophobicContact CD-CD2 3.68Å; K240-E248 WeakPolarHBondContact CD-OE2 3.5Å; K240-E248 WeakPolarHBondContact CE-OE1 3.47Å; K240-E248 WeakPolarHBondContact CE-OE2 3.22Å; K240-E248 IonicContact NZ-OE1 3.73Å; K240-E248 PolarHBondContact NZ-OE1 3.44Å; K240-E248 IonicContact NZ-OE2 3.36Å; K240-E248 PolarHBondContact NZ-OE2 2.98Å; K240-D270 HydrophobicContact CG-CB 4.45Å
241	T	97.9	Very high	95.7	Very high	4 Å²	4	42.1 Å²	42.1	3%	0.025	20%	0.199	C	C	.	.			trans	-82.1	163.4	170.8	59.1	0	0	0	0	110.9	R235 G239 L243 I244 L245 D268	R235-T241 VanDerWaalsContact CD-CG2 3.46Å; G239-T241 PolarHBondContact O-N 2.95Å; T241-L243 PolarHBondContact O-N 3.29Å; T241-I244 PolarHBondContact O-N 3.43Å; T241-I244 VanDerWaalsContact O-N 3.17Å; T241-I244 WeakPolarHBondContact OG1-CG1 3.41Å; T241-I244 PolarHBondContact OG1-N 3.4Å; T241-I244 VanDerWaalsContact OG1-N 3.17Å; T241-L245 WeakPolarHBondContact O-CG 3.41Å; T241-L245 PolarHBondContact O-N 2.91Å; T241-D268 HydrophobicContact CG2-CB 3.71Å
242	P	98.1	Very high	95.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-50.5	-41.2	168.5	-29.7	37.6	0	0	0	113.1	L206 I207 L210 V232 V234 L245 A246 L258	L206-P242 HydrophobicContact CD2-CB 3.97Å; L206-P242 HydrophobicContact CD2-CG 3.81Å; L206-P242 HydrophobicContact CG-CB 4.25Å; L206-P242 HydrophobicContact CG-CG 4.17Å; I207-P242 HydrophobicContact CD1-CG 3.77Å; L210-P242 HydrophobicContact CD1-CB 3.57Å; V232-P242 WeakPolarHBondContact O-CD 3.25Å; V232-P242 WeakPolarHBondContact O-CG 3.42Å; V234-P242 WeakPolarHBondContact O-CD 3.5Å; P242-L245 PolarHBondContact O-N 2.82Å; P242-A246 WeakPolarHBondContact O-CB 3.38Å; P242-A246 PolarHBondContact O-N 2.85Å; P242-L258 HydrophobicContact CB-CD1 4.16Å; P242-L258 HydrophobicContact CB-CD2 4.05Å; P242-L258 WeakPolarHBondContact O-CD1 3.38Å
243	L	98.4	Very high	95.6	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.016	20%	0.2	C	C	.	.	H	α-helix	trans	-64	-45.5	178.3	-173.1	61.1	0	0	0	112	T241 L245 A246 V247 V255 L258 L259 I264 I266 A276 L292	T241-L243 PolarHBondContact O-N 3.29Å; L243-L245 PolarHBondContact O-N 2.88Å; L243-A246 PolarHBondContact O-N 3.23Å; L243-V247 WeakPolarHBondContact O-CG2 3.49Å; L243-V247 PolarHBondContact O-N 3.45Å; L243-V255 HydrophobicContact CD1-CG1 4.09Å; L243-L258 HydrophobicContact CD1-CB 4.3Å; L243-L259 HydrophobicContact CD1-CD2 4.09Å; L243-L259 HydrophobicContact CD1-CG 4.1Å; L243-L259 HydrophobicContact CD2-CD2 4.07Å; L243-I264 HydrophobicContact CB-CD1 4.23Å; L243-I264 HydrophobicContact CD1-CD1 4.24Å; L243-I264 HydrophobicContact CD2-CD1 4.12Å; L243-I264 HydrophobicContact CD2-CG1 4.49Å; L243-I264 HydrophobicContact CG-CD1 4.43Å; L243-I266 HydrophobicContact CD2-CB 4.47Å; L243-I266 HydrophobicContact CD2-CG2 4.27Å; L243-A276 HydrophobicContact CD2-CB 3.94Å; L243-A276 HydrophobicContact CG-CB 3.88Å; L243-L292 HydrophobicContact CD1-CD2 4.29Å; L243-L292 HydrophobicContact CD2-CD2 4.07Å; L243-L292 HydrophobicContact CG-CD2 4.46Å
244	I	98.3	Very high	95.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-45.2	176.5	-73.9	172.4	0	0	0	110.8	K240 T241 A246 V247 E248 D270 A276 L279	K240-I244 HydrophobicContact CB-CG2 4.22Å; K240-I244 HydrophobicContact CG-CG2 4.13Å; T241-I244 PolarHBondContact O-N 3.43Å; T241-I244 VanDerWaalsContact O-N 3.17Å; T241-I244 WeakPolarHBondContact OG1-CG1 3.41Å; T241-I244 PolarHBondContact OG1-N 3.4Å; T241-I244 VanDerWaalsContact OG1-N 3.17Å; I244-A246 VanDerWaalsContact C-N 3.34Å; I244-A246 PolarHBondContact O-N 2.96Å; I244-V247 PolarHBondContact O-N 2.84Å; I244-E248 HydrophobicContact CG2-CG 4.5Å; I244-E248 PolarHBondContact O-N 3Å; I244-D270 HydrophobicContact CD1-CB 4.11Å; I244-A276 HydrophobicContact CG1-CB 4.17Å; I244-L279 HydrophobicContact CG1-CD1 4.43Å; I244-L279 HydrophobicContact CG2-CD1 3.59Å
245	L	97.2	Very high	95.6	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.037	18%	0.184	C	C	.	.	H	α-helix	trans	-61.7	-41.3	177.6	-69	171.1	0	0	0	111.9	I207 L210 L211 K240 T241 P242 L243 V247 E248 N249	I207-L245 HydrophobicContact CD1-CD1 3.79Å; I207-L245 HydrophobicContact CG2-CD1 4.31Å; L210-L245 HydrophobicContact CB-CB 3.97Å; L210-L245 HydrophobicContact CB-CD1 3.94Å; L210-L245 HydrophobicContact CD1-CB 4.45Å; L211-L245 HydrophobicContact CD2-CD1 4.31Å; L211-L245 HydrophobicContact CD2-CD2 4.02Å; K240-L245 HydrophobicContact CB-CD2 4.04Å; K240-L245 HydrophobicContact CB-CG 4.07Å; K240-L245 HydrophobicContact CD-CD2 3.68Å; T241-L245 WeakPolarHBondContact O-CG 3.41Å; T241-L245 PolarHBondContact O-N 2.91Å; P242-L245 PolarHBondContact O-N 2.82Å; L243-L245 PolarHBondContact O-N 2.88Å; L245-V247 VanDerWaalsContact C-N 3.33Å; L245-V247 PolarHBondContact O-N 3.3Å; L245-E248 PolarHBondContact O-N 3.19Å; L245-N249 VanDerWaalsContact O-CB 3.3Å; L245-N249 WeakPolarHBondContact O-CB 3.44Å; L245-N249 PolarHBondContact O-N 2.85Å; L245-N249 PolarHBondContact O-ND2 3.48Å
246	A	97	Very high	95.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.5	-38.5	176.2	0	0	0	0	0	112.6	P242 L243 I244 K250 H251 L254 V255 L258	P242-A246 WeakPolarHBondContact O-CB 3.38Å; P242-A246 PolarHBondContact O-N 2.85Å; L243-A246 PolarHBondContact O-N 3.23Å; I244-A246 VanDerWaalsContact C-N 3.34Å; I244-A246 PolarHBondContact O-N 2.96Å; A246-K250 PolarHBondContact O-N 3.22Å; A246-H251 PolarHBondContact O-N 3.05Å; A246-L254 HydrophobicContact CB-CB 3.84Å; A246-V255 HydrophobicContact CB-CG2 3.83Å; A246-L258 HydrophobicContact CB-CD1 3.75Å
247	V	98	Very high	96.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.5	-46.3	174.1	173.1	0	0	0	0	111.4	L243 I244 L245 N249 K250 V255 A276 L279 A280 L285 I288 L292	L243-V247 WeakPolarHBondContact O-CG2 3.49Å; L243-V247 PolarHBondContact O-N 3.45Å; I244-V247 PolarHBondContact O-N 2.84Å; L245-V247 VanDerWaalsContact C-N 3.33Å; L245-V247 PolarHBondContact O-N 3.3Å; V247-N249 VanDerWaalsContact C-N 3.27Å; V247-N249 PolarHBondContact O-N 2.8Å; V247-K250 WeakPolarHBondContact O-CA 3.49Å; V247-K250 PolarHBondContact O-N 3.11Å; V247-V255 HydrophobicContact CG2-CG2 3.97Å; V247-A276 HydrophobicContact CG2-CB 4.11Å; V247-L279 HydrophobicContact CG1-CB 4.14Å; V247-A280 HydrophobicContact CG1-CB 3.81Å; V247-L285 HydrophobicContact CG1-CD1 4.06Å; V247-L285 WeakPolarHBondContact O-CD1 3.34Å; V247-I288 HydrophobicContact CG1-CG2 4.33Å; V247-I288 HydrophobicContact CG2-CG2 3.82Å; V247-L292 HydrophobicContact CG2-CD1 4.13Å
248	E	95.8	Very high	96.5	Very high	57 Å²	57	35.4 Å²	35.4	27%	0.266	17%	0.167	S	C	.	.	H	α-helix	trans	-63.4	-34.4	177.4	-72.7	-176.1	135.6	0	0	112.7	K240 I244 L245 K250 L279	K240-E248 WeakPolarHBondContact CD-OE2 3.5Å; K240-E248 WeakPolarHBondContact CE-OE1 3.47Å; K240-E248 WeakPolarHBondContact CE-OE2 3.22Å; K240-E248 IonicContact NZ-OE1 3.73Å; K240-E248 PolarHBondContact NZ-OE1 3.44Å; K240-E248 IonicContact NZ-OE2 3.36Å; K240-E248 PolarHBondContact NZ-OE2 2.98Å; I244-E248 HydrophobicContact CG2-CG 4.5Å; I244-E248 PolarHBondContact O-N 3Å; L245-E248 PolarHBondContact O-N 3.19Å; E248-K250 PolarHBondContact O-N 3.15Å; E248-L279 HydrophobicContact CG-CD1 4.42Å
249	N	93.6	Very high	96.8	Very high	48 Å²	48	27.5 Å²	27.5	26%	0.257	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-5.6	172.2	-70	-13.2	0	0	0	112.9	L210 L245 V247 H251	L210-N249 PolarHBondContact O-ND2 3.11Å; L245-N249 VanDerWaalsContact O-CB 3.3Å; L245-N249 WeakPolarHBondContact O-CB 3.44Å; L245-N249 PolarHBondContact O-N 2.85Å; L245-N249 PolarHBondContact O-ND2 3.48Å; V247-N249 VanDerWaalsContact C-N 3.27Å; V247-N249 PolarHBondContact O-N 2.8Å; N249-H251 HydrophobicContact CB-CB 4.47Å; N249-H251 PolarHBondContact O-N 3.28Å
250	K	95.9	Very high	97	Very high	129 Å²	129	31.7 Å²	31.7	56%	0.561	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.9	32.1	178	-46.4	-178.8	180	176.3	0	113	A246 V247 E248 L285	A246-K250 PolarHBondContact O-N 3.22Å; V247-K250 WeakPolarHBondContact O-CA 3.49Å; V247-K250 PolarHBondContact O-N 3.11Å; E248-K250 PolarHBondContact O-N 3.15Å; K250-L285 HydrophobicContact CB-CD1 4.25Å; K250-L285 HydrophobicContact CB-CD2 3.85Å; K250-L285 HydrophobicContact CD-CD2 4.04Å; K250-L285 HydrophobicContact CG-CD1 4.02Å; K250-L285 HydrophobicContact CG-CD2 3.83Å
251	H	95.1	Very high	97	Very high	60 Å²	60	31.9 Å²	31.9	28%	0.278	15%	0.153	S	C	.	.			trans	-108.4	94.7	-168.9	-161.9	-49.7	0	0	0	111.5	E219 A246 N249 G253 L254 V255	E219-H251 IonicContact OE2-CE1 3.99Å; A246-H251 PolarHBondContact O-N 3.05Å; N249-H251 HydrophobicContact CB-CB 4.47Å; N249-H251 PolarHBondContact O-N 3.28Å; H251-G253 PolarHBondContact O-N 3.24Å; H251-L254 HydrophobicContact CB-CB 4.2Å; H251-L254 HydrophobicContact CB-CD1 3.86Å; H251-L254 HydrophobicContact CB-CG 4.1Å; H251-L254 PolarHBondContact ND1-N 3.22Å; H251-L254 PolarHBondContact O-N 3.08Å; H251-L254 VanDerWaalsContact O-N 3.17Å; H251-V255 PolarHBondContact O-N 3.49Å
252	L	96.6	Very high	96.7	Very high	60 Å²	60	41 Å²	41	31%	0.314	19%	0.192	S	C	.	.	H	α-helix	trans	-54.2	-47.3	-176.4	-179.3	62.2	0	0	0	112.8	L254 V255 E256 D287 I288 L291	L252-L254 VanDerWaalsContact C-N 3.32Å; L252-L254 PolarHBondContact O-N 3.41Å; L252-V255 WeakPolarHBondContact O-CA 3.49Å; L252-V255 WeakPolarHBondContact O-CB 3.45Å; L252-V255 PolarHBondContact O-N 2.83Å; L252-E256 HydrophobicContact CD1-CG 4.26Å; L252-E256 HydrophobicContact CG-CG 4.32Å; L252-E256 WeakPolarHBondContact O-CG 3.29Å; L252-E256 PolarHBondContact O-N 3.49Å; L252-D287 HydrophobicContact CD2-CB 4.37Å; L252-I288 HydrophobicContact CB-CG1 4.23Å; L252-I288 HydrophobicContact CD1-CG1 3.73Å; L252-L291 HydrophobicContact CD1-CD2 3.79Å
253	G	96.1	Very high	96.5	Very high	15 Å²	15	48.1 Å²	48.1	16%	0.155	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-35.2	-179.8	0	0	0	0	0	114.6	H251 E256 R257	H251-G253 PolarHBondContact O-N 3.24Å; G253-E256 PolarHBondContact O-N 2.97Å; G253-R257 WeakPolarHBondContact O-CB 3.29Å; G253-R257 PolarHBondContact O-N 2.94Å
254	L	96.6	Very high	96.4	Very high	1 Å²	1	49 Å²	49	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-69	-40.8	174.7	-69.7	179.5	0	0	0	111	L210 V218 E219 T222 A246 H251 L252 R257 L258	L210-L254 HydrophobicContact CD2-CD1 3.75Å; V218-L254 HydrophobicContact CG1-CD1 4.12Å; V218-L254 HydrophobicContact CG2-CD1 4.12Å; E219-L254 HydrophobicContact CB-CD2 4.31Å; T222-L254 HydrophobicContact CG2-CD2 4.01Å; A246-L254 HydrophobicContact CB-CB 3.84Å; H251-L254 HydrophobicContact CB-CB 4.2Å; H251-L254 HydrophobicContact CB-CD1 3.86Å; H251-L254 HydrophobicContact CB-CG 4.1Å; H251-L254 PolarHBondContact ND1-N 3.22Å; H251-L254 PolarHBondContact O-N 3.08Å; H251-L254 VanDerWaalsContact O-N 3.17Å; L252-L254 VanDerWaalsContact C-N 3.32Å; L252-L254 PolarHBondContact O-N 3.41Å; L254-R257 PolarHBondContact O-N 3.39Å; L254-L258 WeakPolarHBondContact O-CB 3.43Å; L254-L258 VanDerWaalsContact O-CG 3.24Å; L254-L258 WeakPolarHBondContact O-CG 3.24Å; L254-L258 PolarHBondContact O-N 2.98Å
255	V	98.2	Very high	96.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.7	-46.7	175.6	176.3	0	0	0	0	110.2	L243 A246 V247 H251 L252 R257 L258 L259 I288 L291 L292	L243-V255 HydrophobicContact CD1-CG1 4.09Å; A246-V255 HydrophobicContact CB-CG2 3.83Å; V247-V255 HydrophobicContact CG2-CG2 3.97Å; H251-V255 PolarHBondContact O-N 3.49Å; L252-V255 WeakPolarHBondContact O-CA 3.49Å; L252-V255 WeakPolarHBondContact O-CB 3.45Å; L252-V255 PolarHBondContact O-N 2.83Å; V255-R257 PolarHBondContact O-N 3.14Å; V255-L258 PolarHBondContact O-N 2.94Å; V255-L259 HydrophobicContact CG1-CD1 3.57Å; V255-L259 HydrophobicContact CG1-CG 4.26Å; V255-L259 WeakPolarHBondContact O-CB 3.38Å; V255-L259 WeakPolarHBondContact O-CG 3.42Å; V255-L259 PolarHBondContact O-N 2.89Å; V255-I288 HydrophobicContact CG1-CG2 4.31Å; V255-I288 HydrophobicContact CG2-CD1 4.31Å; V255-I288 HydrophobicContact CG2-CG1 4.45Å; V255-I288 HydrophobicContact CG2-CG2 4.2Å; V255-L291 HydrophobicContact CG1-CD2 3.92Å; V255-L292 HydrophobicContact CG1-CD2 4.44Å
256	E	97.8	Very high	96.4	Very high	84 Å²	84	55.1 Å²	55.1	39%	0.393	26%	0.259	S	S	.	.	H	α-helix	trans	-55.3	-52.5	175.9	-74.1	176.3	159.4	0	0	111.3	L252 G253 L258 L259 E260 L291	L252-E256 HydrophobicContact CD1-CG 4.26Å; L252-E256 HydrophobicContact CG-CG 4.32Å; L252-E256 WeakPolarHBondContact O-CG 3.29Å; L252-E256 PolarHBondContact O-N 3.49Å; G253-E256 PolarHBondContact O-N 2.97Å; E256-L258 PolarHBondContact O-N 2.57Å; E256-L259 PolarHBondContact O-N 3.26Å; E256-E260 WeakPolarHBondContact O-CG 3.33Å; E256-E260 PolarHBondContact O-N 3.05Å; E256-L291 HydrophobicContact CB-CD2 4.35Å; E256-L291 HydrophobicContact CG-CD2 3.42Å; E256-L291 VanDerWaalsContact CG-CD2 3.42Å
257	R	97.3	Very high	96.5	Very high	37 Å²	37	58.8 Å²	58.8	14%	0.14	28%	0.279	C	S	.	.	H	α-helix	trans	-62.4	-41.3	-179.1	177.2	55.2	-177.6	156.9	1.6	112.9	H223 L226 D227 G253 L254 V255 E260	H223-R257 VanDerWaalsContact CE1-CD 3.4Å; H223-R257 WeakPolarHBondContact CE1-CD 3.44Å; H223-R257 VanDerWaalsContact CE1-CG 3.45Å; H223-R257 WeakPolarHBondContact CE1-CG 3.39Å; H223-R257 VanDerWaalsContact ND1-CD 3.35Å; H223-R257 WeakPolarHBondContact ND1-CD 3.25Å; H223-R257 PolarHBondContact ND1-NE 3.39Å; L226-R257 HydrophobicContact CD1-CG 3.6Å; D227-R257 IonicContact OD1-CZ 3.2Å; D227-R257 IonicContact OD1-NH2 2.78Å; D227-R257 PolarHBondContact OD1-NH2 3.25Å; G253-R257 WeakPolarHBondContact O-CB 3.29Å; G253-R257 PolarHBondContact O-N 2.94Å; L254-R257 PolarHBondContact O-N 3.39Å; V255-R257 PolarHBondContact O-N 3.14Å; R257-E260 VanDerWaalsContact CD-OE2 3.31Å; R257-E260 WeakPolarHBondContact CD-OE2 3.44Å; R257-E260 IonicContact CZ-OE2 3.76Å; R257-E260 IonicContact NE-OE2 3.2Å; R257-E260 IonicContact NH1-OE2 3.71Å; R257-E260 PolarHBondContact NH1-OE2 2.97Å; R257-E260 WeakPolarHBondContact O-CB 3.37Å; R257-E260 PolarHBondContact O-N 3.26Å
258	L	98	Very high	96.5	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-65.9	-41.4	177.2	-73.9	168.6	0	0	0	111.1	L206 L226 V232 P242 L243 A246 L254 V255 E256 E260 Q261 I264	L206-L258 HydrophobicContact CD2-CD2 4.38Å; L226-L258 HydrophobicContact CD1-CD2 4.1Å; L226-L258 HydrophobicContact CD2-CD2 4.27Å; V232-L258 HydrophobicContact CG1-CD2 3.95Å; P242-L258 HydrophobicContact CB-CD1 4.16Å; P242-L258 HydrophobicContact CB-CD2 4.05Å; P242-L258 WeakPolarHBondContact O-CD1 3.38Å; L243-L258 HydrophobicContact CD1-CB 4.3Å; A246-L258 HydrophobicContact CB-CD1 3.75Å; L254-L258 WeakPolarHBondContact O-CB 3.43Å; L254-L258 VanDerWaalsContact O-CG 3.24Å; L254-L258 WeakPolarHBondContact O-CG 3.24Å; L254-L258 PolarHBondContact O-N 2.98Å; V255-L258 PolarHBondContact O-N 2.94Å; E256-L258 PolarHBondContact O-N 2.57Å; L258-E260 PolarHBondContact O-N 2.87Å; L258-Q261 VanDerWaalsContact O-CB 3.28Å; L258-Q261 WeakPolarHBondContact O-CB 3.28Å; L258-Q261 WeakPolarHBondContact O-CG 3.43Å; L258-Q261 PolarHBondContact O-N 3.4Å; L258-I264 VanDerWaalsContact C-CD1 3.5Å; L258-I264 HydrophobicContact CB-CD1 3.82Å; L258-I264 WeakPolarHBondContact O-CD1 3.34Å
259	L	97.8	Very high	96.5	Very high	12 Å²	12	60.6 Å²	60.6	6%	0.063	29%	0.292	C	S	.	.	H	α-helix	trans	-69.9	-11.6	179.2	-67.9	170.7	0	0	0	113.8	L243 V255 E256 Q261 I264 I266 L291 L292 R295	L243-L259 HydrophobicContact CD1-CD2 4.09Å; L243-L259 HydrophobicContact CD1-CG 4.1Å; L243-L259 HydrophobicContact CD2-CD2 4.07Å; V255-L259 HydrophobicContact CG1-CD1 3.57Å; V255-L259 HydrophobicContact CG1-CG 4.26Å; V255-L259 WeakPolarHBondContact O-CB 3.38Å; V255-L259 WeakPolarHBondContact O-CG 3.42Å; V255-L259 PolarHBondContact O-N 2.89Å; E256-L259 PolarHBondContact O-N 3.26Å; L259-Q261 VanDerWaalsContact C-N 3.26Å; L259-I264 HydrophobicContact CD2-CD1 4.33Å; L259-I264 HydrophobicContact CD2-CG2 4.47Å; L259-I266 HydrophobicContact CD2-CD1 3.77Å; L259-I266 HydrophobicContact CD2-CG1 3.77Å; L259-I266 HydrophobicContact CD2-CG2 4.43Å; L259-L291 HydrophobicContact CD1-CD2 4.02Å; L259-L291 HydrophobicContact CD1-CG 3.84Å; L259-L292 HydrophobicContact CD1-CD2 3.89Å; L259-L292 HydrophobicContact CD2-CD2 4.11Å; L259-R295 HydrophobicContact CB-CG 4.26Å; L259-R295 HydrophobicContact CD1-CB 4.37Å; L259-R295 HydrophobicContact CD1-CG 3.99Å; L259-R295 HydrophobicContact CD2-CB 4.4Å; L259-R295 PolarHBondContact O-NH1 2.8Å
260	E	96.4	Very high	96.6	Very high	108 Å²	108	58.8 Å²	58.8	51%	0.505	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-17	169.4	-69.7	169.5	176.4	0	0	112.9	E256 R257 L258 K262	E256-E260 WeakPolarHBondContact O-CG 3.33Å; E256-E260 PolarHBondContact O-N 3.05Å; R257-E260 VanDerWaalsContact CD-OE2 3.31Å; R257-E260 WeakPolarHBondContact CD-OE2 3.44Å; R257-E260 IonicContact CZ-OE2 3.76Å; R257-E260 IonicContact NE-OE2 3.2Å; R257-E260 IonicContact NH1-OE2 3.71Å; R257-E260 PolarHBondContact NH1-OE2 2.97Å; R257-E260 WeakPolarHBondContact O-CB 3.37Å; R257-E260 PolarHBondContact O-N 3.26Å; L258-E260 PolarHBondContact O-N 2.87Å; E260-K262 PolarHBondContact O-N 2.85Å
261	Q	96.8	Very high	96.5	Very high	45 Å²	45	56.3 Å²	56.3	21%	0.21	28%	0.282	C	S	.	.	S	Bend	trans	-74.2	123.6	-179	-58.2	-60.8	-34.1	0	0	110.5	L226 V232 L258 L259 H263 I264	L226-Q261 HydrophobicContact CD2-CG 4.23Å; V232-Q261 HydrophobicContact CG1-CB 4.27Å; V232-Q261 HydrophobicContact CG1-CG 3.84Å; V232-Q261 HydrophobicContact CG2-CB 4.14Å; L258-Q261 VanDerWaalsContact O-CB 3.28Å; L258-Q261 WeakPolarHBondContact O-CB 3.28Å; L258-Q261 WeakPolarHBondContact O-CG 3.43Å; L258-Q261 PolarHBondContact O-N 3.4Å; L259-Q261 VanDerWaalsContact C-N 3.26Å; Q261-H263 PolarHBondContact O-N 3.33Å; Q261-I264 HydrophobicContact CB-CB 4.42Å; Q261-I264 WeakPolarHBondContact O-CG2 3.46Å; Q261-I264 PolarHBondContact O-N 3.29Å
262	K	91.8	Very high	96.2	Very high	194 Å²	194	59 Å²	59	84%	0.843	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.1	-170.7	-67.5	-176.9	-178.9	176.8	0	115.2	E260	E260-K262 PolarHBondContact O-N 2.85Å
263	H	94	Very high	96	Very high	151 Å²	151	58.2 Å²	58.2	70%	0.699	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	18.3	-173	-55	-50.9	0	0	0	112.5	N233 Q261 E265	N233-H263 PolarHBondContact ND2-O 3.02Å; Q261-H263 PolarHBondContact O-N 3.33Å; H263-E265 PolarHBondContact O-N 3.38Å
264	I	97	Very high	96	Very high	21 Å²	21	60.1 Å²	60.1	11%	0.108	31%	0.309	C	S	.	.			trans	-68.4	127.3	179.5	-170.2	163.7	0	0	0	111.6	V232 L243 L258 L259 Q261 I266	V232-I264 HydrophobicContact CG2-CB 4.15Å; V232-I264 HydrophobicContact CG2-CG1 4.35Å; L243-I264 HydrophobicContact CB-CD1 4.23Å; L243-I264 HydrophobicContact CD1-CD1 4.24Å; L243-I264 HydrophobicContact CD2-CD1 4.12Å; L243-I264 HydrophobicContact CD2-CG1 4.49Å; L243-I264 HydrophobicContact CG-CD1 4.43Å; L258-I264 VanDerWaalsContact C-CD1 3.5Å; L258-I264 HydrophobicContact CB-CD1 3.82Å; L258-I264 WeakPolarHBondContact O-CD1 3.34Å; L259-I264 HydrophobicContact CD2-CD1 4.33Å; L259-I264 HydrophobicContact CD2-CG2 4.47Å; Q261-I264 HydrophobicContact CB-CB 4.42Å; Q261-I264 WeakPolarHBondContact O-CG2 3.46Å; Q261-I264 PolarHBondContact O-N 3.29Å; I264-I266 HydrophobicContact CG2-CD1 4.37Å; I264-I266 HydrophobicContact CG2-CG1 3.89Å; I264-I266 PolarHBondContact O-N 2.84Å; I264-I266 VanDerWaalsContact O-N 3.15Å
265	E	97.6	Very high	96	Very high	110 Å²	110	60.4 Å²	60.4	51%	0.514	31%	0.311	S	S	.	.			trans	-84.2	83.3	176	-64.6	-64.7	168.2	0	0	110.1	N233 H263 N267 D268	N233-E265 HydrophobicContact CB-CG 4.49Å; N233-E265 PolarHBondContact OD1-N 3.08Å; H263-E265 PolarHBondContact O-N 3.38Å; E265-N267 PolarHBondContact O-N 3.16Å; E265-N267 VanDerWaalsContact O-N 3.16Å; E265-D268 HydrophobicContact CB-CB 4.4Å; E265-D268 WeakPolarHBondContact O-CB 3.26Å; E265-D268 PolarHBondContact O-N 2.93Å
266	I	97.8	Very high	96	Very high	26 Å²	26	60.5 Å²	60.5	13%	0.133	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-28.3	-173.7	-57.1	177.4	0	0	0	112.7	L243 L259 I264 L292 R295 A297	L243-I266 HydrophobicContact CD2-CB 4.47Å; L243-I266 HydrophobicContact CD2-CG2 4.27Å; L259-I266 HydrophobicContact CD2-CD1 3.77Å; L259-I266 HydrophobicContact CD2-CG1 3.77Å; L259-I266 HydrophobicContact CD2-CG2 4.43Å; I264-I266 HydrophobicContact CG2-CD1 4.37Å; I264-I266 HydrophobicContact CG2-CG1 3.89Å; I264-I266 PolarHBondContact O-N 2.84Å; I264-I266 VanDerWaalsContact O-N 3.15Å; I266-L292 HydrophobicContact CG2-CD2 4.18Å; I266-R295 HydrophobicContact CD1-CB 4.12Å; I266-R295 VanDerWaalsContact CD1-O 3.28Å; I266-R295 WeakPolarHBondContact CD1-O 3.21Å; I266-A297 HydrophobicContact CG2-CB 3.65Å
267	N	97.8	Very high	96.1	Very high	76 Å²	76	56.6 Å²	56.6	41%	0.406	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	6.5	-173.4	-63.3	-45.3	0	0	0	114	E265 S298	E265-N267 PolarHBondContact O-N 3.16Å; E265-N267 VanDerWaalsContact O-N 3.16Å; N267-S298 WeakPolarHBondContact OD1-CB 3.41Å; N267-S298 PolarHBondContact OD1-N 3.48Å
268	D	97.7	Very high	96.1	Very high	36 Å²	36	55.5 Å²	55.5	19%	0.193	29%	0.29	C	S	.	.			trans	-60.2	141.9	176.1	-95.2	-5.7	0	0	0	111.8	R235 T241 E265	R235-D268 IonicContact CZ-OD1 2.9Å; R235-D268 IonicContact CZ-OD2 2.85Å; R235-D268 IonicContact NE-OD2 3.63Å; R235-D268 PolarHBondContact NE-OD2 3.49Å; R235-D268 IonicContact NH2-OD1 3.04Å; R235-D268 PolarHBondContact NH2-OD1 2.89Å; R235-D268 IonicContact NH2-OD2 2.7Å; R235-D268 PolarHBondContact NH2-OD2 3.2Å; T241-D268 HydrophobicContact CG2-CB 3.71Å; E265-D268 HydrophobicContact CB-CB 4.4Å; E265-D268 WeakPolarHBondContact O-CB 3.26Å; E265-D268 PolarHBondContact O-N 2.93Å
269	T	97.1	Very high	96	Very high	59 Å²	59	56 Å²	56	36%	0.362	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-109.7	143.7	-178.9	54	0	0	0	0	112.4	R235 G273 K274 T275	R235-T269 PolarHBondContact NH1-O 3.23Å; T269-G273 WeakPolarHBondContact CG2-O 3.42Å; T269-K274 CarbonylContact C-O 3.54Å; T269-K274 VanDerWaalsContact CA-O 3.28Å; T269-K274 WeakPolarHBondContact CA-O 3.37Å; T269-T275 HydrophobicContact CG2-CG2 3.64Å
270	D	95.6	Very high	96.1	Very high	10 Å²	10	55.5 Å²	55.5	5%	0.053	29%	0.29	C	S	.	.			trans	-70.6	-176	167.4	68.7	14.5	0	0	0	112.4	K240 I244 D272 G273 K274	K240-D270 HydrophobicContact CG-CB 4.45Å; I244-D270 HydrophobicContact CD1-CB 4.11Å; D270-D272 PolarHBondContact O-N 3.2Å; D270-D272 WeakPolarHBondContact OD1-CA 3.43Å; D270-D272 WeakPolarHBondContact OD1-CB 3.46Å; D270-D272 PolarHBondContact OD1-N 3.35Å; D270-G273 PolarHBondContact O-N 2.88Å; D270-G273 PolarHBondContact OD1-N 3.09Å; D270-G273 VanDerWaalsContact OD1-N 3.14Å; D270-K274 PolarHBondContact N-O 2.99Å; D270-K274 WeakPolarHBondContact OD1-CB 3.37Å; D270-K274 PolarHBondContact OD1-N 3.48Å
271	S	93.4	Very high	96.1	Very high	78 Å²	78	50.3 Å²	50.3	55%	0.545	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.6	178.6	60.5	0	0	0	0	114.3	R238	R238-S271 WeakPolarHBondContact CB-OG 3.28Å; R238-S271 WeakPolarHBondContact O-CB 3.33Å; R238-S271 PolarHBondContact O-N 3Å; R238-S271 PolarHBondContact O-OG 2.89Å
272	D	89.3	Confident	96	Very high	115 Å²	115	51.4 Å²	51.4	62%	0.615	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	2.5	175.2	-62.5	-29.6	0	0	0	111.5	D270 K274	D270-D272 PolarHBondContact O-N 3.2Å; D270-D272 WeakPolarHBondContact OD1-CA 3.43Å; D270-D272 WeakPolarHBondContact OD1-CB 3.46Å; D270-D272 PolarHBondContact OD1-N 3.35Å; D272-K274 VanDerWaalsContact C-N 3.31Å; D272-K274 HydrophobicContact CB-CD 4.45Å; D272-K274 HydrophobicContact CB-CG 4.12Å
273	G	92.8	Very high	96.2	Very high	44 Å²	44	45.1 Å²	45.1	45%	0.454	25%	0.246	S	C	.	.	S	Bend	trans	77.8	14	-177.8	0	0	0	0	0	113.4	T269 D270	T269-G273 WeakPolarHBondContact CG2-O 3.42Å; D270-G273 PolarHBondContact O-N 2.88Å; D270-G273 PolarHBondContact OD1-N 3.09Å; D270-G273 VanDerWaalsContact OD1-N 3.14Å
274	K	95.1	Very high	96.3	Very high	55 Å²	55	44.3 Å²	44.3	24%	0.239	24%	0.24	C	C	.	.			trans	-91.4	131.3	-176.3	-56.3	-173.2	175.1	-169.7	0	111.6	T269 D270 D272 L278 L279 E282	T269-K274 CarbonylContact C-O 3.54Å; T269-K274 VanDerWaalsContact CA-O 3.28Å; T269-K274 WeakPolarHBondContact CA-O 3.37Å; D270-K274 PolarHBondContact N-O 2.99Å; D270-K274 WeakPolarHBondContact OD1-CB 3.37Å; D270-K274 PolarHBondContact OD1-N 3.48Å; D272-K274 VanDerWaalsContact C-N 3.31Å; D272-K274 HydrophobicContact CB-CD 4.45Å; D272-K274 HydrophobicContact CB-CG 4.12Å; K274-L278 HydrophobicContact CB-CD2 4.02Å; K274-L278 HydrophobicContact CD-CD2 4.39Å; K274-L278 HydrophobicContact CG-CD2 3.84Å; K274-L279 HydrophobicContact CB-CD1 4.38Å; K274-L279 HydrophobicContact CB-CD2 4.23Å; K274-L279 HydrophobicContact CB-CG 4.01Å; K274-L279 HydrophobicContact CD-CD2 3.62Å; K274-L279 HydrophobicContact CD-CG 4.3Å; K274-E282 IonicContact NZ-OE1 3.76Å; K274-E282 PolarHBondContact NZ-OE1 3.25Å; K274-E282 IonicContact NZ-OE2 3.75Å; K274-E282 PolarHBondContact NZ-OE2 3.47Å
275	T	97.9	Very high	96.3	Very high	8 Å²	8	44.5 Å²	44.5	5%	0.049	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-82.5	165.7	171.8	64.3	0	0	0	0	111.2	T269 L277 L278 L279 C301	T269-T275 HydrophobicContact CG2-CG2 3.64Å; T275-L277 VanDerWaalsContact C-N 3.25Å; T275-L277 PolarHBondContact O-N 3.41Å; T275-L278 PolarHBondContact O-N 2.96Å; T275-L278 PolarHBondContact OG1-N 3.41Å; T275-L278 VanDerWaalsContact OG1-N 3.16Å; T275-L279 PolarHBondContact O-N 3.17Å; T275-L279 VanDerWaalsContact O-N 3.07Å; T275-C301 HydrophobicContact CG2-CB 3.62Å; T275-C301 WeakPolarHBondContact OG1-CB 3.39Å; T275-C301 PolarHBondContact OG1-SG 3.17Å
276	A	98.1	Very high	96.3	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-54.5	-40.9	170.7	0	0	0	0	0	112.4	L243 I244 V247 L279 A280 L292	L243-A276 HydrophobicContact CD2-CB 3.94Å; L243-A276 HydrophobicContact CG-CB 3.88Å; I244-A276 HydrophobicContact CG1-CB 4.17Å; V247-A276 HydrophobicContact CG2-CB 4.11Å; A276-L279 PolarHBondContact O-N 3.28Å; A276-A280 WeakPolarHBondContact O-CB 3.45Å; A276-A280 PolarHBondContact O-N 2.74Å; A276-L292 HydrophobicContact CB-CD1 4.2Å; A276-L292 HydrophobicContact CB-CD2 4.35Å
277	L	98.5	Very high	96.3	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-66.3	-45.8	178.4	178.5	60.9	0	0	0	112.1	T275 L279 A280 V281 A289 L292 A297 T299 L304 L320	T275-L277 VanDerWaalsContact C-N 3.25Å; T275-L277 PolarHBondContact O-N 3.41Å; L277-L279 VanDerWaalsContact C-N 3.31Å; L277-L279 PolarHBondContact O-N 2.97Å; L277-A280 PolarHBondContact O-N 2.85Å; L277-V281 HydrophobicContact CD1-CG2 4.35Å; L277-V281 WeakPolarHBondContact O-CG2 3.43Å; L277-V281 PolarHBondContact O-N 2.8Å; L277-V281 VanDerWaalsContact O-N 3.09Å; L277-A289 HydrophobicContact CD1-CB 4.04Å; L277-L292 HydrophobicContact CB-CD1 4.47Å; L277-L292 HydrophobicContact CD1-CB 4.16Å; L277-A297 HydrophobicContact CB-CB 4.21Å; L277-A297 HydrophobicContact CD2-CB 4.03Å; L277-T299 HydrophobicContact CD2-CG2 4.2Å; L277-L304 HydrophobicContact CD2-CD1 3.78Å; L277-L304 HydrophobicContact CG-CD1 4.19Å; L277-L304 HydrophobicContact CG-CD2 4.47Å; L277-L320 HydrophobicContact CD1-CD2 4.45Å
278	L	97.2	Very high	96.3	Very high	15 Å²	15	42.6 Å²	42.6	8%	0.079	23%	0.232	C	C	.	.	H	α-helix	trans	-58.9	-46.3	177.8	177.2	62.4	0	0	0	110.8	K274 T275 A280 V281 E282 C301 L304 I307	K274-L278 HydrophobicContact CB-CD2 4.02Å; K274-L278 HydrophobicContact CD-CD2 4.39Å; K274-L278 HydrophobicContact CG-CD2 3.84Å; T275-L278 PolarHBondContact O-N 2.96Å; T275-L278 PolarHBondContact OG1-N 3.41Å; T275-L278 VanDerWaalsContact OG1-N 3.16Å; L278-A280 PolarHBondContact O-N 3.34Å; L278-V281 PolarHBondContact O-N 2.86Å; L278-E282 HydrophobicContact CD1-CG 4.31Å; L278-E282 HydrophobicContact CG-CG 4.49Å; L278-E282 WeakPolarHBondContact O-CG 3.43Å; L278-E282 PolarHBondContact O-N 3.48Å; L278-C301 WeakPolarHBondContact CD2-O 3.38Å; L278-L304 HydrophobicContact CB-CD2 4.16Å; L278-L304 HydrophobicContact CD1-CD2 3.7Å; L278-I307 HydrophobicContact CD1-CD1 3.68Å
279	L	97.4	Very high	96.4	Very high	11 Å²	11	40.9 Å²	40.9	6%	0.058	22%	0.223	C	C	.	.	H	α-helix	trans	-62.2	-42	177.5	-72.3	170.4	0	0	0	112.2	I244 V247 E248 K274 T275 A276 L277 V281 E282 L283	I244-L279 HydrophobicContact CG1-CD1 4.43Å; I244-L279 HydrophobicContact CG2-CD1 3.59Å; V247-L279 HydrophobicContact CG1-CB 4.14Å; E248-L279 HydrophobicContact CG-CD1 4.42Å; K274-L279 HydrophobicContact CB-CD1 4.38Å; K274-L279 HydrophobicContact CB-CD2 4.23Å; K274-L279 HydrophobicContact CB-CG 4.01Å; K274-L279 HydrophobicContact CD-CD2 3.62Å; K274-L279 HydrophobicContact CD-CG 4.3Å; T275-L279 PolarHBondContact O-N 3.17Å; T275-L279 VanDerWaalsContact O-N 3.07Å; A276-L279 PolarHBondContact O-N 3.28Å; L277-L279 VanDerWaalsContact C-N 3.31Å; L277-L279 PolarHBondContact O-N 2.97Å; L279-V281 VanDerWaalsContact C-N 3.29Å; L279-V281 PolarHBondContact O-N 3.16Å; L279-E282 PolarHBondContact O-N 2.99Å; L279-L283 VanDerWaalsContact O-CB 3.25Å; L279-L283 WeakPolarHBondContact O-CB 3.42Å; L279-L283 VanDerWaalsContact O-CG 3.22Å; L279-L283 WeakPolarHBondContact O-CG 3.48Å; L279-L283 PolarHBondContact O-N 3.47Å
280	A	98.1	Very high	96.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.8	-41.7	177	0	0	0	0	0	111.8	V247 A276 L277 L278 K284 L285 I288 A289 L292	V247-A280 HydrophobicContact CG1-CB 3.81Å; A276-A280 WeakPolarHBondContact O-CB 3.45Å; A276-A280 PolarHBondContact O-N 2.74Å; L277-A280 PolarHBondContact O-N 2.85Å; L278-A280 PolarHBondContact O-N 3.34Å; A280-K284 PolarHBondContact O-N 3.5Å; A280-L285 HydrophobicContact CB-CB 4.42Å; A280-L285 PolarHBondContact O-N 3.21Å; A280-I288 HydrophobicContact CB-CG2 3.84Å; A280-A289 HydrophobicContact CB-CB 3.92Å; A280-L292 HydrophobicContact CB-CD1 4.06Å
281	V	97.3	Very high	96.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-69.3	-43.1	176.9	177.1	0	0	0	0	111.8	L277 L278 L279 L283 K284 A289 L304 I307 A308 N311 L316 L320	L277-V281 HydrophobicContact CD1-CG2 4.35Å; L277-V281 WeakPolarHBondContact O-CG2 3.43Å; L277-V281 PolarHBondContact O-N 2.8Å; L277-V281 VanDerWaalsContact O-N 3.09Å; L278-V281 PolarHBondContact O-N 2.86Å; L279-V281 VanDerWaalsContact C-N 3.29Å; L279-V281 PolarHBondContact O-N 3.16Å; V281-L283 VanDerWaalsContact C-N 3.33Å; V281-L283 PolarHBondContact O-N 3.44Å; V281-K284 PolarHBondContact O-N 2.96Å; V281-A289 HydrophobicContact CG2-CB 4.1Å; V281-L304 HydrophobicContact CB-CD2 4.27Å; V281-L304 HydrophobicContact CG2-CD2 4.06Å; V281-I307 HydrophobicContact CG1-CB 4.02Å; V281-I307 HydrophobicContact CG1-CG2 3.82Å; V281-A308 HydrophobicContact CG1-CB 4.23Å; V281-N311 PolarHBondContact O-ND2 3.42Å; V281-L316 HydrophobicContact CG1-CD2 4.32Å; V281-L316 HydrophobicContact CG2-CD2 4.26Å; V281-L320 HydrophobicContact CG1-CD1 4.45Å; V281-L320 HydrophobicContact CG2-CD1 4.16Å; V281-L320 HydrophobicContact CG2-CD2 4.21Å
282	E	94.6	Very high	96.8	Very high	67 Å²	67	37.5 Å²	37.5	31%	0.313	20%	0.195	S	C	.	.	H	α-helix	trans	-61.8	-39.7	176	-74.3	-175.7	164.9	0	0	112.3	K274 L278 L279 K284 I307	K274-E282 IonicContact NZ-OE1 3.76Å; K274-E282 PolarHBondContact NZ-OE1 3.25Å; K274-E282 IonicContact NZ-OE2 3.75Å; K274-E282 PolarHBondContact NZ-OE2 3.47Å; L278-E282 HydrophobicContact CD1-CG 4.31Å; L278-E282 HydrophobicContact CG-CG 4.49Å; L278-E282 WeakPolarHBondContact O-CG 3.43Å; L278-E282 PolarHBondContact O-N 3.48Å; L279-E282 PolarHBondContact O-N 2.99Å; E282-K284 VanDerWaalsContact C-N 3.26Å; E282-K284 PolarHBondContact O-N 2.83Å; E282-I307 HydrophobicContact CG-CD1 4.06Å; E282-I307 HydrophobicContact CG-CG2 4.26Å
283	L	95.3	Very high	97.2	Very high	63 Å²	63	32.2 Å²	32.2	33%	0.33	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-0	179.5	-65.9	174.9	0	0	0	113.8	L279 V281 L285	L279-L283 VanDerWaalsContact O-CB 3.25Å; L279-L283 WeakPolarHBondContact O-CB 3.42Å; L279-L283 VanDerWaalsContact O-CG 3.22Å; L279-L283 WeakPolarHBondContact O-CG 3.48Å; L279-L283 PolarHBondContact O-N 3.47Å; V281-L283 VanDerWaalsContact C-N 3.33Å; V281-L283 PolarHBondContact O-N 3.44Å; L283-L285 VanDerWaalsContact C-N 3.33Å; L283-L285 HydrophobicContact CB-CD1 3.79Å; L283-L285 HydrophobicContact CB-CG 3.77Å; L283-L285 HydrophobicContact CD1-CD1 4.09Å
284	K	96.4	Very high	97.4	Very high	133 Å²	133	35.5 Å²	35.5	58%	0.578	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	35.9	179.1	-47.7	177.9	-175.2	-168.3	0	113.2	A280 V281 E282 K286 N311	A280-K284 PolarHBondContact O-N 3.5Å; V281-K284 PolarHBondContact O-N 2.96Å; E282-K284 VanDerWaalsContact C-N 3.26Å; E282-K284 PolarHBondContact O-N 2.83Å; K284-K286 PolarHBondContact O-N 3.49Å; K284-N311 HydrophobicContact CD-CB 4.48Å; K284-N311 VanDerWaalsContact CE-OD1 3.22Å; K284-N311 WeakPolarHBondContact CE-OD1 3.14Å; K284-N311 HydrophobicContact CG-CB 4.35Å
285	L	97.5	Very high	97.5	Very high	25 Å²	25	37.7 Å²	37.7	13%	0.131	18%	0.181	C	C	.	.			trans	-96.2	75.9	-178.4	-54.6	173.9	0	0	0	109.4	V247 K250 A280 L283 D287 I288 A289	V247-L285 HydrophobicContact CG1-CD1 4.06Å; V247-L285 WeakPolarHBondContact O-CD1 3.34Å; K250-L285 HydrophobicContact CB-CD1 4.25Å; K250-L285 HydrophobicContact CB-CD2 3.85Å; K250-L285 HydrophobicContact CD-CD2 4.04Å; K250-L285 HydrophobicContact CG-CD1 4.02Å; K250-L285 HydrophobicContact CG-CD2 3.83Å; A280-L285 HydrophobicContact CB-CB 4.42Å; A280-L285 PolarHBondContact O-N 3.21Å; L283-L285 VanDerWaalsContact C-N 3.33Å; L283-L285 HydrophobicContact CB-CD1 3.79Å; L283-L285 HydrophobicContact CB-CG 3.77Å; L283-L285 HydrophobicContact CD1-CD1 4.09Å; L285-D287 PolarHBondContact O-N 3.25Å; L285-I288 HydrophobicContact CB-CB 3.99Å; L285-I288 HydrophobicContact CB-CD1 4.22Å; L285-I288 HydrophobicContact CB-CG1 4.5Å; L285-I288 HydrophobicContact CD1-CD1 4.02Å; L285-I288 PolarHBondContact O-N 2.92Å; L285-A289 WeakPolarHBondContact O-CB 3.31Å; L285-A289 PolarHBondContact O-N 3.37Å
286	K	96.9	Very high	97.4	Very high	65 Å²	65	39.8 Å²	39.8	28%	0.283	20%	0.204	S	C	.	.	H	α-helix	trans	-53	-57	-174.9	179.8	-171.7	166.4	-176.5	0	112.1	K284 I288 A289 E290 S315 L316	K284-K286 PolarHBondContact O-N 3.49Å; K286-I288 VanDerWaalsContact C-N 3.27Å; K286-I288 PolarHBondContact O-N 3.2Å; K286-A289 PolarHBondContact O-N 3.35Å; K286-E290 VanDerWaalsContact CE-CD 3.45Å; K286-E290 WeakPolarHBondContact CE-OE1 3.37Å; K286-E290 HydrophobicContact CG-CG 4.22Å; K286-E290 IonicContact NZ-OE1 3.79Å; K286-E290 WeakPolarHBondContact O-CG 3.5Å; K286-E290 PolarHBondContact O-N 3.47Å; K286-S315 WeakPolarHBondContact CD-OG 3.29Å; K286-S315 WeakPolarHBondContact CE-OG 3.34Å; K286-S315 PolarHBondContact NZ-OG 3.25Å; K286-L316 HydrophobicContact CG-CB 4.44Å
287	D	98	Very high	97.4	Very high	101 Å²	101	40.2 Å²	40.2	54%	0.54	21%	0.208	S	C	.	.	H	α-helix	trans	-62.2	-36.3	-173.5	-53.3	-30.4	0	0	0	112.2	L252 L285 L291	L252-D287 HydrophobicContact CD2-CB 4.37Å; L285-D287 PolarHBondContact O-N 3.25Å; D287-L291 VanDerWaalsContact O-CB 3.3Å; D287-L291 WeakPolarHBondContact O-CB 3.44Å; D287-L291 PolarHBondContact O-N 3.06Å
288	I	98.6	Very high	97.3	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.031	23%	0.225	C	C	.	.	H	α-helix	trans	-68.1	-42.8	174.6	-71.4	173.1	0	0	0	111	V247 L252 V255 A280 L285 K286 L291 L292	V247-I288 HydrophobicContact CG1-CG2 4.33Å; V247-I288 HydrophobicContact CG2-CG2 3.82Å; L252-I288 HydrophobicContact CB-CG1 4.23Å; L252-I288 HydrophobicContact CD1-CG1 3.73Å; V255-I288 HydrophobicContact CG1-CG2 4.31Å; V255-I288 HydrophobicContact CG2-CD1 4.31Å; V255-I288 HydrophobicContact CG2-CG1 4.45Å; V255-I288 HydrophobicContact CG2-CG2 4.2Å; A280-I288 HydrophobicContact CB-CG2 3.84Å; L285-I288 HydrophobicContact CB-CB 3.99Å; L285-I288 HydrophobicContact CB-CD1 4.22Å; L285-I288 HydrophobicContact CB-CG1 4.5Å; L285-I288 HydrophobicContact CD1-CD1 4.02Å; L285-I288 PolarHBondContact O-N 2.92Å; K286-I288 VanDerWaalsContact C-N 3.27Å; K286-I288 PolarHBondContact O-N 3.2Å; I288-L291 PolarHBondContact O-N 3.44Å; I288-L292 HydrophobicContact CG2-CD1 3.91Å; I288-L292 WeakPolarHBondContact O-CB 3.47Å; I288-L292 VanDerWaalsContact O-CG 3.25Å; I288-L292 WeakPolarHBondContact O-CG 3.48Å; I288-L292 PolarHBondContact O-N 3.22Å
289	A	98.3	Very high	97.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.5	-39.9	178.2	0	0	0	0	0	112	L277 A280 V281 L285 K286 L292 C293 L316	L277-A289 HydrophobicContact CD1-CB 4.04Å; A280-A289 HydrophobicContact CB-CB 3.92Å; V281-A289 HydrophobicContact CG2-CB 4.1Å; L285-A289 WeakPolarHBondContact O-CB 3.31Å; L285-A289 PolarHBondContact O-N 3.37Å; K286-A289 PolarHBondContact O-N 3.35Å; A289-L292 PolarHBondContact O-N 3.26Å; A289-C293 PolarHBondContact O-N 2.91Å; A289-C293 PolarHBondContact O-SG 3.3Å; A289-L316 HydrophobicContact CB-CD1 3.76Å
290	E	98.1	Very high	97	Very high	53 Å²	53	46.7 Å²	46.7	25%	0.248	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-48.3	173.5	-66.2	-171.3	163	0	0	110.6	K286 L292 C293 D294 L316 C319	K286-E290 VanDerWaalsContact CE-CD 3.45Å; K286-E290 WeakPolarHBondContact CE-OE1 3.37Å; K286-E290 HydrophobicContact CG-CG 4.22Å; K286-E290 IonicContact NZ-OE1 3.79Å; K286-E290 WeakPolarHBondContact O-CG 3.5Å; K286-E290 PolarHBondContact O-N 3.47Å; E290-L292 VanDerWaalsContact C-N 3.34Å; E290-L292 PolarHBondContact O-N 2.95Å; E290-C293 WeakPolarHBondContact O-CB 3.47Å; E290-C293 PolarHBondContact O-N 2.81Å; E290-C293 VanDerWaalsContact O-N 3.17Å; E290-D294 PolarHBondContact O-N 3.05Å; E290-L316 HydrophobicContact CG-CD1 4.46Å; E290-C319 HydrophobicContact CG-CB 4.23Å
291	L	98.4	Very high	96.6	Very high	23 Å²	23	47.7 Å²	47.7	12%	0.12	25%	0.254	C	S	.	.	H	α-helix	trans	-58.1	-43.4	176.2	175.9	63.6	0	0	0	112.6	L252 V255 E256 L259 D287 I288 D294 R295	L252-L291 HydrophobicContact CD1-CD2 3.79Å; V255-L291 HydrophobicContact CG1-CD2 3.92Å; E256-L291 HydrophobicContact CB-CD2 4.35Å; E256-L291 HydrophobicContact CG-CD2 3.42Å; E256-L291 VanDerWaalsContact CG-CD2 3.42Å; L259-L291 HydrophobicContact CD1-CD2 4.02Å; L259-L291 HydrophobicContact CD1-CG 3.84Å; D287-L291 VanDerWaalsContact O-CB 3.3Å; D287-L291 WeakPolarHBondContact O-CB 3.44Å; D287-L291 PolarHBondContact O-N 3.06Å; I288-L291 PolarHBondContact O-N 3.44Å; L291-D294 PolarHBondContact O-N 3.44Å; L291-R295 HydrophobicContact CD1-CG 4.12Å; L291-R295 WeakPolarHBondContact O-CB 3.49Å; L291-R295 VanDerWaalsContact O-CG 3.22Å; L291-R295 WeakPolarHBondContact O-CG 3.21Å; L291-R295 PolarHBondContact O-N 3.29Å
292	L	98.4	Very high	96.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-42.7	177.3	-74.2	165.4	0	0	0	111.5	L243 V247 V255 L259 I266 A276 L277 A280 I288 A289 E290 R295 G296 A297	L243-L292 HydrophobicContact CD1-CD2 4.29Å; L243-L292 HydrophobicContact CD2-CD2 4.07Å; L243-L292 HydrophobicContact CG-CD2 4.46Å; V247-L292 HydrophobicContact CG2-CD1 4.13Å; V255-L292 HydrophobicContact CG1-CD2 4.44Å; L259-L292 HydrophobicContact CD1-CD2 3.89Å; L259-L292 HydrophobicContact CD2-CD2 4.11Å; I266-L292 HydrophobicContact CG2-CD2 4.18Å; A276-L292 HydrophobicContact CB-CD1 4.2Å; A276-L292 HydrophobicContact CB-CD2 4.35Å; L277-L292 HydrophobicContact CB-CD1 4.47Å; L277-L292 HydrophobicContact CD1-CB 4.16Å; A280-L292 HydrophobicContact CB-CD1 4.06Å; I288-L292 HydrophobicContact CG2-CD1 3.91Å; I288-L292 WeakPolarHBondContact O-CB 3.47Å; I288-L292 VanDerWaalsContact O-CG 3.25Å; I288-L292 WeakPolarHBondContact O-CG 3.48Å; I288-L292 PolarHBondContact O-N 3.22Å; A289-L292 PolarHBondContact O-N 3.26Å; E290-L292 VanDerWaalsContact C-N 3.34Å; E290-L292 PolarHBondContact O-N 2.95Å; L292-R295 PolarHBondContact O-N 3.42Å; L292-G296 PolarHBondContact O-N 3.48Å; L292-A297 HydrophobicContact CB-CB 4.12Å; L292-A297 WeakPolarHBondContact O-CB 3.33Å; L292-A297 PolarHBondContact O-N 2.96Å
293	C	97.8	Very high	96	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.034	26%	0.255	C	S	.	.	H	α-helix	trans	-60.8	-47.6	174.2	-73.7	0	0	0	0	111.9	A289 E290 R295 G296 H323	A289-C293 PolarHBondContact O-N 2.91Å; A289-C293 PolarHBondContact O-SG 3.3Å; E290-C293 WeakPolarHBondContact O-CB 3.47Å; E290-C293 PolarHBondContact O-N 2.81Å; E290-C293 VanDerWaalsContact O-N 3.17Å; C293-R295 PolarHBondContact O-N 2.9Å; C293-G296 PolarHBondContact O-N 3.41Å; C293-H323 HydrophobicContact CB-CB 4.24Å
294	D	97.4	Very high	95.9	Very high	113 Å²	113	43.8 Å²	43.8	60%	0.604	24%	0.24	S	C	*	.	H	α-helix	trans	-61.8	-29.7	179.7	-71.5	-13.5	0	0	0	112.1	E290 L291 G296 H323	E290-D294 PolarHBondContact O-N 3.05Å; L291-D294 PolarHBondContact O-N 3.44Å; D294-G296 VanDerWaalsContact C-N 3.3Å; D294-H323 IonicContact OD1-CE1 3.5Å; D294-H323 IonicContact OD1-NE2 3.39Å; D294-H323 PolarHBondContact OD1-NE2 3.18Å
295	R	97.1	Very high	95.9	Very high	100 Å²	100	37.4 Å²	37.4	38%	0.377	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	7	175.2	-61.9	-67.2	-175.4	90.2	9	113.6	L259 I266 L291 L292 C293	L259-R295 HydrophobicContact CB-CG 4.26Å; L259-R295 HydrophobicContact CD1-CB 4.37Å; L259-R295 HydrophobicContact CD1-CG 3.99Å; L259-R295 HydrophobicContact CD2-CB 4.4Å; L259-R295 PolarHBondContact O-NH1 2.8Å; I266-R295 HydrophobicContact CD1-CB 4.12Å; I266-R295 VanDerWaalsContact CD1-O 3.28Å; I266-R295 WeakPolarHBondContact CD1-O 3.21Å; L291-R295 HydrophobicContact CD1-CG 4.12Å; L291-R295 WeakPolarHBondContact O-CB 3.49Å; L291-R295 VanDerWaalsContact O-CG 3.22Å; L291-R295 WeakPolarHBondContact O-CG 3.21Å; L291-R295 PolarHBondContact O-N 3.29Å; L292-R295 PolarHBondContact O-N 3.42Å; C293-R295 PolarHBondContact O-N 2.9Å
296	G	95.8	Very high	95.6	Very high	53 Å²	53	38.6 Å²	38.6	55%	0.546	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	24.1	171.6	0	0	0	0	0	115.4	L292 C293 D294 S298	L292-G296 PolarHBondContact O-N 3.48Å; C293-G296 PolarHBondContact O-N 3.41Å; D294-G296 VanDerWaalsContact C-N 3.3Å; G296-S298 PolarHBondContact O-N 3.37Å
297	A	97.6	Very high	95.3	Very high	10 Å²	10	36.1 Å²	36.1	8%	0.083	21%	0.207	C	C	.	.			trans	-58.4	136.5	169.6	0	0	0	0	0	111	I266 L277 L292 T299	I266-A297 HydrophobicContact CG2-CB 3.65Å; L277-A297 HydrophobicContact CB-CB 4.21Å; L277-A297 HydrophobicContact CD2-CB 4.03Å; L292-A297 HydrophobicContact CB-CB 4.12Å; L292-A297 WeakPolarHBondContact O-CB 3.33Å; L292-A297 PolarHBondContact O-N 2.96Å; A297-T299 PolarHBondContact O-N 2.7Å
298	S	97	Very high	95.2	Very high	52 Å²	52	31.3 Å²	31.3	36%	0.364	18%	0.181	S	C	.	.			trans	-65.1	128.5	174.3	179.5	0	0	0	0	110	N267 G296 D300 C301	N267-S298 WeakPolarHBondContact OD1-CB 3.41Å; N267-S298 PolarHBondContact OD1-N 3.48Å; G296-S298 PolarHBondContact O-N 3.37Å; S298-D300 VanDerWaalsContact C-N 3.29Å; S298-D300 PolarHBondContact OG-N 3.26Å; S298-C301 PolarHBondContact O-SG 3.34Å
299	T	95.6	Very high	95	Very high	19 Å²	19	35.2 Å²	35.2	12%	0.117	20%	0.196	C	C	.	.	S	Bend	trans	-85.2	-1.8	174.1	54.1	0	0	0	0	113	L277 A297 C301 L304 H323 G324 A325	L277-T299 HydrophobicContact CD2-CG2 4.2Å; A297-T299 PolarHBondContact O-N 2.7Å; T299-C301 VanDerWaalsContact C-N 3.26Å; T299-C301 PolarHBondContact O-N 2.8Å; T299-L304 HydrophobicContact CG2-CD1 4.47Å; T299-L304 WeakPolarHBondContact O-CD1 3.01Å; T299-H323 HydrophobicContact CG2-CB 4.01Å; T299-H323 WeakPolarHBondContact CG2-O 3.37Å; T299-H323 PolarHBondContact OG1-O 3.07Å; T299-G324 PolarHBondContact OG1-O 2.9Å; T299-A325 HydrophobicContact CG2-CB 4.2Å; T299-A325 PolarHBondContact OG1-N 3.48Å
300	D	92.1	Very high	94.6	Very high	93 Å²	93	39.4 Å²	39.4	50%	0.497	21%	0.212	S	C	.	.			trans	-89.6	54.8	172.9	-162.3	18.1	0	0	0	111.7	S298 K326	S298-D300 VanDerWaalsContact C-N 3.29Å; S298-D300 PolarHBondContact OG-N 3.26Å; D300-K326 IonicContact OD1-NZ 2.83Å; D300-K326 PolarHBondContact OD1-NZ 3.38Å; D300-K326 IonicContact OD2-NZ 2.69Å; D300-K326 PolarHBondContact OD2-NZ 3.11Å
301	C	89.4	Confident	94.3	Very high	21 Å²	21	39 Å²	39	14%	0.142	21%	0.211	C	C	.	.	S	Bend	trans	-125.6	20.1	-176.4	66.6	0	0	0	0	113.1	T275 L278 S298 T299	T275-C301 HydrophobicContact CG2-CB 3.62Å; T275-C301 WeakPolarHBondContact OG1-CB 3.39Å; T275-C301 PolarHBondContact OG1-SG 3.17Å; L278-C301 WeakPolarHBondContact CD2-O 3.38Å; S298-C301 PolarHBondContact O-SG 3.34Å; T299-C301 VanDerWaalsContact C-N 3.26Å; T299-C301 PolarHBondContact O-N 2.8Å
302	G	88.8	Confident	94	Very high	18 Å²	18	47 Å²	47	19%	0.186	24%	0.241	C	C	.	.	S	Bend	trans	134.8	-163.9	177	0	0	0	0	0	113.7	L304	G302-L304 PolarHBondContact O-N 3.47Å
303	D	90.4	Very high	93.8	Very high	27 Å²	27	48.6 Å²	48.6	14%	0.144	25%	0.25	C	C	.	.	S	Bend	trans	-81.5	48.2	-175.3	-164.2	14.7	0	0	0	112.8	V305 M306 I307 R310 F329	D303-V305 PolarHBondContact O-N 3.25Å; D303-M306 PolarHBondContact O-N 3.06Å; D303-M306 WeakPolarHBondContact OD1-CB 3.33Å; D303-M306 VanDerWaalsContact OD2-CB 3.25Å; D303-M306 WeakPolarHBondContact OD2-CB 3.48Å; D303-I307 HydrophobicContact CB-CD1 4.43Å; D303-I307 WeakPolarHBondContact O-CD1 3.26Å; D303-I307 VanDerWaalsContact O-CG1 3.23Å; D303-I307 WeakPolarHBondContact O-CG1 3.31Å; D303-I307 PolarHBondContact O-N 3.43Å; D303-R310 IonicContact OD2-CZ 3.45Å; D303-R310 IonicContact OD2-NH1 2.68Å; D303-R310 PolarHBondContact OD2-NH1 3.28Å; D303-R310 IonicContact OD2-NH2 3.65Å; D303-R310 PolarHBondContact OD2-NH2 3.31Å; D303-F329 HydrophobicContact CB-CB 3.85Å; D303-F329 HydrophobicContact CB-CD1 3.79Å; D303-F329 HydrophobicContact CB-CG 4Å; D303-F329 WeakPolarHBondContact OD1-CB 3.14Å
304	L	94.7	Very high	93.7	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-53.8	-52.6	-169.4	-62.3	179.4	0	0	0	112.9	L277 L278 V281 T299 G302 M306 I307 A308 L320	L277-L304 HydrophobicContact CD2-CD1 3.78Å; L277-L304 HydrophobicContact CG-CD1 4.19Å; L277-L304 HydrophobicContact CG-CD2 4.47Å; L278-L304 HydrophobicContact CB-CD2 4.16Å; L278-L304 HydrophobicContact CD1-CD2 3.7Å; V281-L304 HydrophobicContact CB-CD2 4.27Å; V281-L304 HydrophobicContact CG2-CD2 4.06Å; T299-L304 HydrophobicContact CG2-CD1 4.47Å; T299-L304 WeakPolarHBondContact O-CD1 3.01Å; G302-L304 PolarHBondContact O-N 3.47Å; L304-M306 VanDerWaalsContact C-N 3.33Å; L304-M306 PolarHBondContact O-N 3.42Å; L304-I307 PolarHBondContact O-N 2.92Å; L304-A308 PolarHBondContact O-N 3.1Å; L304-L320 HydrophobicContact CB-CD1 4.01Å; L304-L320 HydrophobicContact CB-CD2 4.34Å; L304-L320 HydrophobicContact CD1-CD2 4.1Å
305	V	95	Very high	93.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.1	-43.5	-176.9	179.2	0	0	0	0	110.8	D303 A308 R309 V317 L320 L321 A325 K326	D303-V305 PolarHBondContact O-N 3.25Å; V305-A308 PolarHBondContact O-N 3.33Å; V305-R309 WeakPolarHBondContact O-CG 3.47Å; V305-R309 PolarHBondContact O-N 2.79Å; V305-V317 HydrophobicContact CG1-CG1 4.13Å; V305-L320 HydrophobicContact CG2-CB 4.43Å; V305-L321 HydrophobicContact CG1-CD2 4.34Å; V305-L321 HydrophobicContact CG1-CG 4.47Å; V305-L321 HydrophobicContact CG2-CD2 3.9Å; V305-L321 HydrophobicContact CG2-CG 4.26Å; V305-A325 HydrophobicContact CG2-CB 3.65Å; V305-K326 WeakPolarHBondContact CG2-O 3.46Å
306	M	91.4	Very high	93.5	Very high	49 Å²	49	47.5 Å²	47.5	24%	0.241	25%	0.25	C	C	.	.	H	α-helix	trans	-73.2	-35.6	-178.5	-163.1	63.2	63.3	0	0	112.1	D303 L304 A308 R309 R310	D303-M306 PolarHBondContact O-N 3.06Å; D303-M306 WeakPolarHBondContact OD1-CB 3.33Å; D303-M306 VanDerWaalsContact OD2-CB 3.25Å; D303-M306 WeakPolarHBondContact OD2-CB 3.48Å; L304-M306 VanDerWaalsContact C-N 3.33Å; L304-M306 PolarHBondContact O-N 3.42Å; M306-A308 VanDerWaalsContact C-N 3.35Å; M306-R309 PolarHBondContact O-N 3.38Å; M306-R310 VanDerWaalsContact CG-NH2 3.32Å; M306-R310 WeakPolarHBondContact O-CB 3.36Å; M306-R310 VanDerWaalsContact O-CG 3.24Å; M306-R310 WeakPolarHBondContact O-CG 3.34Å; M306-R310 PolarHBondContact O-N 3.31Å
307	I	92.1	Very high	93.6	Very high	13 Å²	13	45.6 Å²	45.6	7%	0.067	23%	0.228	C	C	.	.	H	α-helix	trans	-60.8	-47.2	172.9	-66.1	163.2	0	0	0	109.5	L278 V281 E282 D303 L304 R309 R310 N311	L278-I307 HydrophobicContact CD1-CD1 3.68Å; V281-I307 HydrophobicContact CG1-CB 4.02Å; V281-I307 HydrophobicContact CG1-CG2 3.82Å; E282-I307 HydrophobicContact CG-CD1 4.06Å; E282-I307 HydrophobicContact CG-CG2 4.26Å; D303-I307 HydrophobicContact CB-CD1 4.43Å; D303-I307 WeakPolarHBondContact O-CD1 3.26Å; D303-I307 VanDerWaalsContact O-CG1 3.23Å; D303-I307 WeakPolarHBondContact O-CG1 3.31Å; D303-I307 PolarHBondContact O-N 3.43Å; L304-I307 PolarHBondContact O-N 2.92Å; I307-R309 PolarHBondContact O-N 3.36Å; I307-R310 PolarHBondContact O-N 2.97Å; I307-N311 WeakPolarHBondContact O-CB 3.27Å; I307-N311 VanDerWaalsContact O-CG 3.31Å; I307-N311 PolarHBondContact O-N 3.33Å; I307-N311 PolarHBondContact O-ND2 2.75Å
308	A	94.4	Very high	93.5	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-40.5	175.8	0	0	0	0	0	112.5	V281 L304 V305 M306 N311 Y312 D313 L316 V317 L320	V281-A308 HydrophobicContact CG1-CB 4.23Å; L304-A308 PolarHBondContact O-N 3.1Å; V305-A308 PolarHBondContact O-N 3.33Å; M306-A308 VanDerWaalsContact C-N 3.35Å; A308-N311 CarbonylContact O-C 3.49Å; A308-N311 PolarHBondContact O-N 2.97Å; A308-Y312 PolarHBondContact O-N 3.15Å; A308-Y312 VanDerWaalsContact O-N 3.16Å; A308-D313 PolarHBondContact O-N 3.22Å; A308-L316 HydrophobicContact CB-CB 4.47Å; A308-L316 HydrophobicContact CB-CD2 4.2Å; A308-L316 HydrophobicContact CB-CG 4.23Å; A308-V317 HydrophobicContact CB-CG2 3.61Å; A308-L320 HydrophobicContact CB-CD1 4Å
309	R	93.9	Very high	93.4	Very high	88 Å²	88	51.3 Å²	51.3	33%	0.332	25%	0.246	S	C	.	.	H	α-helix	trans	-61.2	-45.4	173.1	-74.9	176.6	178.7	177.5	0.8	112.4	V305 M306 I307 N311 Y312 V317 E327	V305-R309 WeakPolarHBondContact O-CG 3.47Å; V305-R309 PolarHBondContact O-N 2.79Å; M306-R309 PolarHBondContact O-N 3.38Å; I307-R309 PolarHBondContact O-N 3.36Å; R309-N311 PolarHBondContact O-N 3.33Å; R309-Y312 PolarHBondContact O-N 2.61Å; R309-V317 HydrophobicContact CG-CG2 3.69Å; R309-E327 IonicContact CZ-OE1 2.75Å; R309-E327 IonicContact NH1-OE1 3.96Å; R309-E327 IonicContact NH2-OE1 3.63Å; R309-E327 PolarHBondContact NH2-OE1 3.04Å
310	R	91.1	Very high	93.5	Very high	89 Å²	89	50.4 Å²	50.4	34%	0.336	24%	0.24	S	C	.	.	H	α-helix	trans	-62.2	-28.5	176.2	-71.4	168.4	-174.5	140.2	10.1	112.1	D303 M306 I307 Y312 Y354	D303-R310 IonicContact OD2-CZ 3.45Å; D303-R310 IonicContact OD2-NH1 2.68Å; D303-R310 PolarHBondContact OD2-NH1 3.28Å; D303-R310 IonicContact OD2-NH2 3.65Å; D303-R310 PolarHBondContact OD2-NH2 3.31Å; M306-R310 VanDerWaalsContact CG-NH2 3.32Å; M306-R310 WeakPolarHBondContact O-CB 3.36Å; M306-R310 VanDerWaalsContact O-CG 3.24Å; M306-R310 WeakPolarHBondContact O-CG 3.34Å; M306-R310 PolarHBondContact O-N 3.31Å; I307-R310 PolarHBondContact O-N 2.97Å; R310-Y312 VanDerWaalsContact C-N 3.31Å; R310-Y354 VanDerWaalsContact CZ-CB 3.45Å
311	N	91.3	Very high	93.7	Very high	43 Å²	43	49.1 Å²	49.1	23%	0.23	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-0.6	175.1	-68.7	-26	0	0	0	113.5	V281 K284 I307 A308 R309 D313	V281-N311 PolarHBondContact O-ND2 3.42Å; K284-N311 HydrophobicContact CD-CB 4.48Å; K284-N311 VanDerWaalsContact CE-OD1 3.22Å; K284-N311 WeakPolarHBondContact CE-OD1 3.14Å; K284-N311 HydrophobicContact CG-CB 4.35Å; I307-N311 WeakPolarHBondContact O-CB 3.27Å; I307-N311 VanDerWaalsContact O-CG 3.31Å; I307-N311 PolarHBondContact O-N 3.33Å; I307-N311 PolarHBondContact O-ND2 2.75Å; A308-N311 CarbonylContact O-C 3.49Å; A308-N311 PolarHBondContact O-N 2.97Å; R309-N311 PolarHBondContact O-N 3.33Å; N311-D313 PolarHBondContact O-N 3Å
312	Y	93	Very high	94	Very high	191 Å²	191	52.6 Å²	52.6	75%	0.749	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	24.8	-176.8	-57.1	-90.8	0	0	0	114.5	A308 R309 R310 H314	A308-Y312 PolarHBondContact O-N 3.15Å; A308-Y312 VanDerWaalsContact O-N 3.16Å; R309-Y312 PolarHBondContact O-N 2.61Å; R310-Y312 VanDerWaalsContact C-N 3.31Å; Y312-H314 PolarHBondContact O-N 3.41Å
313	D	94.3	Very high	94.3	Very high	34 Å²	34	54.9 Å²	54.9	18%	0.182	26%	0.263	C	S	.	.			trans	-94.1	82.3	178.5	-165.6	-21.1	0	0	0	111.4	A308 N311 S315 L316 V317	A308-D313 PolarHBondContact O-N 3.22Å; N311-D313 PolarHBondContact O-N 3Å; D313-S315 PolarHBondContact O-N 3.23Å; D313-S315 PolarHBondContact OD1-N 3.44Å; D313-S315 PolarHBondContact OD1-OG 3.24Å; D313-L316 HydrophobicContact CB-CB 3.98Å; D313-L316 PolarHBondContact O-N 3.11Å; D313-L316 WeakPolarHBondContact OD1-CB 3.4Å; D313-L316 PolarHBondContact OD1-N 3.05Å; D313-L316 WeakPolarHBondContact OD2-CB 3.31Å; D313-V317 WeakPolarHBondContact O-CG2 3.29Å; D313-V317 PolarHBondContact O-N 3.4Å
314	H	94.4	Very high	94.5	Very high	143 Å²	143	56.2 Å²	56.2	66%	0.662	28%	0.284	S	S	*	.	H	α-helix	trans	-62.5	-28.8	178.9	-66.8	-65.9	0	0	0	113.4	Y312 K318	Y312-H314 PolarHBondContact O-N 3.41Å; H314-K318 PolarHBondContact O-N 2.96Å; H314-K318 VanDerWaalsContact O-N 3.17Å
315	S	95.9	Very high	94.5	Very high	50 Å²	50	56.5 Å²	56.5	35%	0.35	29%	0.287	S	S	.	.	H	α-helix	trans	-71.1	-45.8	179.6	64.8	0	0	0	0	111.2	K286 D313 V317 K318 C319	K286-S315 WeakPolarHBondContact CD-OG 3.29Å; K286-S315 WeakPolarHBondContact CE-OG 3.34Å; K286-S315 PolarHBondContact NZ-OG 3.25Å; D313-S315 PolarHBondContact O-N 3.23Å; D313-S315 PolarHBondContact OD1-N 3.44Å; D313-S315 PolarHBondContact OD1-OG 3.24Å; S315-V317 PolarHBondContact O-N 3.31Å; S315-K318 PolarHBondContact O-N 3.08Å; S315-C319 PolarHBondContact O-N 3.37Å
316	L	96.2	Very high	94.2	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-64.9	-39.6	175.4	-176	58.2	0	0	0	111.7	V281 K286 A289 E290 A308 D313 K318 C319 L320	V281-L316 HydrophobicContact CG1-CD2 4.32Å; V281-L316 HydrophobicContact CG2-CD2 4.26Å; K286-L316 HydrophobicContact CG-CB 4.44Å; A289-L316 HydrophobicContact CB-CD1 3.76Å; E290-L316 HydrophobicContact CG-CD1 4.46Å; A308-L316 HydrophobicContact CB-CB 4.47Å; A308-L316 HydrophobicContact CB-CD2 4.2Å; A308-L316 HydrophobicContact CB-CG 4.23Å; D313-L316 HydrophobicContact CB-CB 3.98Å; D313-L316 PolarHBondContact O-N 3.11Å; D313-L316 WeakPolarHBondContact OD1-CB 3.4Å; D313-L316 PolarHBondContact OD1-N 3.05Å; D313-L316 WeakPolarHBondContact OD2-CB 3.31Å; L316-K318 VanDerWaalsContact C-N 3.28Å; L316-K318 PolarHBondContact O-N 3.02Å; L316-C319 PolarHBondContact O-N 3.15Å; L316-L320 HydrophobicContact CD1-CD1 4.37Å; L316-L320 HydrophobicContact CD1-CG 4.15Å; L316-L320 HydrophobicContact CG-CD1 3.97Å; L316-L320 HydrophobicContact CG-CG 4.25Å; L316-L320 WeakPolarHBondContact O-CB 3.49Å; L316-L320 VanDerWaalsContact O-CG 3.25Å; L316-L320 WeakPolarHBondContact O-CG 3.47Å; L316-L320 PolarHBondContact O-N 2.89Å
317	V	96.6	Very high	93.9	Very high	13 Å²	13	63.8 Å²	63.8	8%	0.079	32%	0.318	C	S	.	.	H	α-helix	trans	-54.3	-46.5	172.5	167.9	0	0	0	0	111.2	V305 A308 R309 D313 S315 L320 L321	V305-V317 HydrophobicContact CG1-CG1 4.13Å; A308-V317 HydrophobicContact CB-CG2 3.61Å; R309-V317 HydrophobicContact CG-CG2 3.69Å; D313-V317 WeakPolarHBondContact O-CG2 3.29Å; D313-V317 PolarHBondContact O-N 3.4Å; S315-V317 PolarHBondContact O-N 3.31Å; V317-L320 PolarHBondContact O-N 3.44Å; V317-L321 HydrophobicContact CG1-CD1 3.9Å; V317-L321 WeakPolarHBondContact O-CB 3.47Å; V317-L321 VanDerWaalsContact O-CG 3.3Å; V317-L321 WeakPolarHBondContact O-CG 3.45Å; V317-L321 PolarHBondContact O-N 3.17Å
318	K	95.8	Very high	93.3	Very high	166 Å²	166	69.2 Å²	69.2	72%	0.722	34%	0.343	S	S	*	.	H	α-helix	trans	-65.4	-41.8	-179.3	-160.8	178.8	-176.8	-176.9	0	111.4	H314 S315 L316 S322	H314-K318 PolarHBondContact O-N 2.96Å; H314-K318 VanDerWaalsContact O-N 3.17Å; S315-K318 PolarHBondContact O-N 3.08Å; L316-K318 VanDerWaalsContact C-N 3.28Å; L316-K318 PolarHBondContact O-N 3.02Å; K318-S322 PolarHBondContact O-N 3.42Å; K318-S322 PolarHBondContact O-OG 3.2Å
319	C	95.7	Very high	92.4	Very high	16 Å²	16	72.2 Å²	72.2	11%	0.108	36%	0.356	C	S	.	.	H	α-helix	trans	-63.1	-46.7	175.7	-177.7	0	0	0	0	112.3	E290 S315 L316 L321 S322 H323	E290-C319 HydrophobicContact CG-CB 4.23Å; S315-C319 PolarHBondContact O-N 3.37Å; L316-C319 PolarHBondContact O-N 3.15Å; C319-L321 VanDerWaalsContact C-N 3.34Å; C319-L321 PolarHBondContact O-N 3.26Å; C319-S322 WeakPolarHBondContact CA-OG 3.19Å; C319-S322 PolarHBondContact O-N 3.26Å; C319-S322 PolarHBondContact O-OG 3.18Å; C319-H323 PolarHBondContact O-N 3.34Å; C319-H323 VanDerWaalsContact O-N 3.13Å; C319-H323 PolarHBondContact O-ND1 3.48Å; C319-H323 PolarHBondContact SG-ND1 3.33Å
320	L	96.9	Very high	91.3	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-61	-43.3	178.5	-70	169.6	0	0	0	111.6	L277 V281 L304 V305 A308 L316 V317 H323 G324 A325	L277-L320 HydrophobicContact CD1-CD2 4.45Å; V281-L320 HydrophobicContact CG1-CD1 4.45Å; V281-L320 HydrophobicContact CG2-CD1 4.16Å; V281-L320 HydrophobicContact CG2-CD2 4.21Å; L304-L320 HydrophobicContact CB-CD1 4.01Å; L304-L320 HydrophobicContact CB-CD2 4.34Å; L304-L320 HydrophobicContact CD1-CD2 4.1Å; V305-L320 HydrophobicContact CG2-CB 4.43Å; A308-L320 HydrophobicContact CB-CD1 4Å; L316-L320 HydrophobicContact CD1-CD1 4.37Å; L316-L320 HydrophobicContact CD1-CG 4.15Å; L316-L320 HydrophobicContact CG-CD1 3.97Å; L316-L320 HydrophobicContact CG-CG 4.25Å; L316-L320 WeakPolarHBondContact O-CB 3.49Å; L316-L320 VanDerWaalsContact O-CG 3.25Å; L316-L320 WeakPolarHBondContact O-CG 3.47Å; L316-L320 PolarHBondContact O-N 2.89Å; V317-L320 PolarHBondContact O-N 3.44Å; L320-H323 CarbonylContact O-C 3.44Å; L320-H323 PolarHBondContact O-N 2.92Å; L320-G324 PolarHBondContact O-N 2.85Å; L320-A325 HydrophobicContact CB-CB 3.94Å; L320-A325 WeakPolarHBondContact O-CB 3.17Å; L320-A325 PolarHBondContact O-N 2.83Å
321	L	95.6	Very high	90.1	Very high	67 Å²	67	75.9 Å²	75.9	35%	0.351	39%	0.389	S	S	.	.	H	α-helix	trans	-66.1	-38.8	177.2	-71.9	171.9	0	0	0	112.3	V305 V317 C319 H323 G324 E327	V305-L321 HydrophobicContact CG1-CD2 4.34Å; V305-L321 HydrophobicContact CG1-CG 4.47Å; V305-L321 HydrophobicContact CG2-CD2 3.9Å; V305-L321 HydrophobicContact CG2-CG 4.26Å; V317-L321 HydrophobicContact CG1-CD1 3.9Å; V317-L321 WeakPolarHBondContact O-CB 3.47Å; V317-L321 VanDerWaalsContact O-CG 3.3Å; V317-L321 WeakPolarHBondContact O-CG 3.45Å; V317-L321 PolarHBondContact O-N 3.17Å; C319-L321 VanDerWaalsContact C-N 3.34Å; C319-L321 PolarHBondContact O-N 3.26Å; L321-H323 PolarHBondContact O-N 3.06Å; L321-G324 PolarHBondContact O-N 2.79Å; L321-E327 HydrophobicContact CD2-CB 4.42Å
322	S	96.1	Very high	89	Confident	93 Å²	93	79.1 Å²	79.1	65%	0.65	41%	0.412	S	S	*	.	H	α-helix	trans	-65.4	-24.4	175.2	58.1	0	0	0	0	112.9	K318 C319 G324	K318-S322 PolarHBondContact O-N 3.42Å; K318-S322 PolarHBondContact O-OG 3.2Å; C319-S322 WeakPolarHBondContact CA-OG 3.19Å; C319-S322 PolarHBondContact O-N 3.26Å; C319-S322 PolarHBondContact O-OG 3.18Å; S322-G324 VanDerWaalsContact C-N 3.34Å
323	H	96	Very high	87.6	Confident	66 Å²	66	75.1 Å²	75.1	31%	0.306	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	15.6	173.5	-67.2	96	0	0	0	113.5	C293 D294 T299 C319 L320 L321	C293-H323 HydrophobicContact CB-CB 4.24Å; D294-H323 IonicContact OD1-CE1 3.5Å; D294-H323 IonicContact OD1-NE2 3.39Å; D294-H323 PolarHBondContact OD1-NE2 3.18Å; T299-H323 HydrophobicContact CG2-CB 4.01Å; T299-H323 WeakPolarHBondContact CG2-O 3.37Å; T299-H323 PolarHBondContact OG1-O 3.07Å; C319-H323 PolarHBondContact O-N 3.34Å; C319-H323 VanDerWaalsContact O-N 3.13Å; C319-H323 PolarHBondContact O-ND1 3.48Å; C319-H323 PolarHBondContact SG-ND1 3.33Å; L320-H323 CarbonylContact O-C 3.44Å; L320-H323 PolarHBondContact O-N 2.92Å; L321-H323 PolarHBondContact O-N 3.06Å
324	G	94.1	Very high	86.3	Confident	56 Å²	56	79 Å²	79	58%	0.577	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.1	15.4	170.4	0	0	0	0	0	116	T299 L320 L321 S322	T299-G324 PolarHBondContact OG1-O 2.9Å; L320-G324 PolarHBondContact O-N 2.85Å; L321-G324 PolarHBondContact O-N 2.79Å; S322-G324 VanDerWaalsContact C-N 3.34Å
325	A	93.9	Very high	85.5	Confident	8 Å²	8	79 Å²	79	7%	0.066	44%	0.44	C	S	.	.			trans	-61.9	141.3	176	0	0	0	0	0	112	T299 V305 L320	T299-A325 HydrophobicContact CG2-CB 4.2Å; T299-A325 PolarHBondContact OG1-N 3.48Å; V305-A325 HydrophobicContact CG2-CB 3.65Å; L320-A325 HydrophobicContact CB-CB 3.94Å; L320-A325 WeakPolarHBondContact O-CB 3.17Å; L320-A325 PolarHBondContact O-N 2.83Å
326	K	90.3	Very high	85.1	Confident	108 Å²	108	79.5 Å²	79.5	47%	0.47	44%	0.435	S	S	.	.			trans	-68.5	132.1	178.2	-66	172.9	-175.6	159.7	0	110.6	D300 V305	D300-K326 IonicContact OD1-NZ 2.83Å; D300-K326 PolarHBondContact OD1-NZ 3.38Å; D300-K326 IonicContact OD2-NZ 2.69Å; D300-K326 PolarHBondContact OD2-NZ 3.11Å; V305-K326 WeakPolarHBondContact CG2-O 3.46Å
327	E	85.1	Confident	84.9	Confident	93 Å²	93	86.5 Å²	86.5	44%	0.435	47%	0.465	S	S	.	.	S	Bend	trans	-72.8	-30.9	178.1	-176.2	164.7	-158.7	0	0	113.1	R309 L321	R309-E327 IonicContact CZ-OE1 2.75Å; R309-E327 IonicContact NH1-OE1 3.96Å; R309-E327 IonicContact NH2-OE1 3.63Å; R309-E327 PolarHBondContact NH2-OE1 3.04Å; L321-E327 HydrophobicContact CD2-CB 4.42Å
328	H	79.6	Confident	84.8	Confident	127 Å²	127	87.1 Å²	87.1	59%	0.588	47%	0.47	S	S	*	.	S	Bend	trans	-126.1	103.9	178.3	-61.1	-51.2	0	0	0	109.5
329	F	74.2	Confident	84.7	Confident	63 Å²	63	85.5 Å²	85.5	28%	0.276	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-87.9	125.9	171.4	-175.6	-99.5	0	0	0	109.6	D303	D303-F329 HydrophobicContact CB-CB 3.85Å; D303-F329 HydrophobicContact CB-CD1 3.79Å; D303-F329 HydrophobicContact CB-CG 4Å; D303-F329 WeakPolarHBondContact OD1-CB 3.14Å
330	H	70.9	Confident	84.7	Confident	161 Å²	161	85 Å²	85	75%	0.745	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-96.2	116.3	168.8	-69.3	-66.5	0	0	0	107.9
331	P	67	Low	84.5	Confident	94 Å²	94	90.1 Å²	90.1	61%	0.61	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-54.3	148.2	172	-20.8	31	0	0	0	110	A333	P331-A333 PolarHBondContact O-N 2.9Å
332	P	67.8	Low	84.5	Confident	110 Å²	110	92.3 Å²	92.3	71%	0.714	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-52.1	139.7	171	20.7	-29.7	0	0	0	109.4	E334	P332-E334 VanDerWaalsContact C-N 3.31Å; P332-E334 PolarHBondContact O-N 2.78Å
333	A	63	Low	84.6	Confident	108 Å²	108	90 Å²	90	89%	0.893	48%	0.482	S	S	*	.			trans	-64.9	91.3	-178.7	0	0	0	0	0	109.7	P331 D335	P331-A333 PolarHBondContact O-N 2.9Å; A333-D335 PolarHBondContact O-N 2.76Å
334	E	67.7	Low	84.5	Confident	115 Å²	115	87.1 Å²	87.1	54%	0.537	47%	0.47	S	S	.	.			trans	-74.4	110.4	169.6	-140	169.5	-171.7	0	0	106.2	P332 W336 H351 K386	P332-E334 VanDerWaalsContact C-N 3.31Å; P332-E334 PolarHBondContact O-N 2.78Å; E334-W336 PolarHBondContact O-N 3.26Å; E334-H351 IonicContact OE2-CE1 2.68Å; E334-H351 IonicContact OE2-NE2 3.62Å; E334-K386 IonicContact OE1-NZ 3.92Å; E334-K386 PolarHBondContact OE1-NZ 3.47Å
335	D	76.6	Confident	84.6	Confident	142 Å²	142	88.4 Å²	88.4	76%	0.759	48%	0.476	S	S	*	.			trans	-72.1	65.2	175.7	-171.1	14.8	0	0	0	109.5	A333	A333-D335 PolarHBondContact O-N 2.76Å
336	W	89.1	Confident	84.8	Confident	62 Å²	62	89 Å²	89	24%	0.235	48%	0.481	C	S	.	.			trans	-96	133	179.6	-178.7	85.2	0	0	0	110.4	E334 P338 L347 K348 H351 F383	E334-W336 PolarHBondContact O-N 3.26Å; W336-P338 HydrophobicContact CH2-CB 3.62Å; W336-P338 HydrophobicContact CH2-CG 4.31Å; W336-P338 HydrophobicContact CZ2-CB 4.19Å; W336-P338 HydrophobicContact CZ3-CB 4.25Å; W336-P338 HydrophobicContact CZ3-CG 4.47Å; W336-L347 HydrophobicContact CH2-CB 3.86Å; W336-K348 HydrophobicContact CZ3-CG 3.98Å; W336-H351 AromaticContact CD2-CD2 3.65Å; W336-H351 AromaticContact CD2-CG 3.99Å; W336-H351 AromaticContact CD2-NE2 3.95Å; W336-H351 HydrophobicContact CE3-CB 3.95Å; W336-H351 AromaticContact CE3-CD2 3.82Å; W336-H351 AromaticContact CE3-CG 3.66Å; W336-H351 AromaticContact CG-CD2 3.9Å; W336-H351 AromaticContact CG-NE2 3.68Å; W336-H351 HydrophobicContact CZ3-CB 3.91Å; W336-F383 AromaticContact CE2-CE1 3.89Å; W336-F383 AromaticContact CH2-CE1 3.89Å; W336-F383 HydrophobicContact CH2-CE1 3.89Å; W336-F383 AromaticContact CH2-CZ 3.83Å; W336-F383 HydrophobicContact CH2-CZ 3.83Å; W336-F383 AromaticContact CZ2-CE1 3.43Å; W336-F383 HydrophobicContact CZ2-CE1 3.43Å; W336-F383 VanDerWaalsContact CZ2-CE1 3.43Å; W336-F383 AromaticContact CZ2-CZ 3.87Å; W336-F383 HydrophobicContact CZ2-CZ 3.87Å; W336-F383 HydrophobicContact CZ3-CZ 4.45Å
337	K	91.8	Very high	85.1	Confident	148 Å²	148	83.9 Å²	83.9	64%	0.643	46%	0.458	S	S	*	.			trans	-128.7	136.2	175.4	-66.6	177.5	-173.9	168.3	0	109.4
338	P	93.5	Very high	85.5	Confident	27 Å²	27	85.2 Å²	85.2	18%	0.175	46%	0.463	C	S	.	.			trans	-64.6	146.9	175.1	27.5	-33.9	0	0	0	110.7	W336 L347 K348	W336-P338 HydrophobicContact CH2-CB 3.62Å; W336-P338 HydrophobicContact CH2-CG 4.31Å; W336-P338 HydrophobicContact CZ2-CB 4.19Å; W336-P338 HydrophobicContact CZ3-CB 4.25Å; W336-P338 HydrophobicContact CZ3-CG 4.47Å; P338-L347 HydrophobicContact CB-CB 4.46Å; P338-L347 HydrophobicContact CB-CD1 4.31Å; P338-K348 HydrophobicContact CG-CD 4.37Å; P338-K348 HydrophobicContact CG-CG 4.13Å
339	Q	94.1	Very high	86.2	Confident	132 Å²	132	80.3 Å²	80.3	62%	0.617	44%	0.441	S	S	*	.	S	Bend	trans	-86.5	-38.2	171	-53.7	177.6	2.2	0	0	110.2	E388	Q339-E388 WeakPolarHBondContact CB-OE1 3.47Å; Q339-E388 PolarHBondContact N-OE2 3.26Å
340	S	94.8	Very high	87.2	Confident	4 Å²	4	77.3 Å²	77.3	3%	0.028	43%	0.428	C	S	.	.			trans	-64.6	135.4	176.3	179.4	0	0	0	0	113	W343 G344 E388 E438	S340-W343 WeakPolarHBondContact OG-CB 3.37Å; S340-W343 PolarHBondContact OG-N 2.73Å; S340-G344 WeakPolarHBondContact O-CA 3.14Å; S340-G344 PolarHBondContact O-N 3.11Å; S340-E388 WeakPolarHBondContact CB-OE1 3.43Å; S340-E388 PolarHBondContact N-OE1 3.13Å; S340-E438 WeakPolarHBondContact CA-OE1 3.21Å; S340-E438 WeakPolarHBondContact CB-OE1 3.38Å; S340-E438 PolarHBondContact OG-OE1 3.15Å; S340-E438 PolarHBondContact OG-OE2 3.11Å
341	S	94.2	Very high	88.3	Confident	109 Å²	109	72 Å²	72	76%	0.762	40%	0.403	S	S	*	.	S	Bend	trans	-84.5	-44.8	176.3	-65.9	0	0	0	0	111.2	E438	S341-E438 PolarHBondContact N-OE1 2.86Å; S341-E438 PolarHBondContact N-OE2 3.12Å
342	H	95.1	Very high	89.3	Confident	113 Å²	113	76.7 Å²	76.7	52%	0.523	41%	0.409	S	S	.	.	S	Bend	trans	-66.6	-48.5	178.7	-172.4	-177.9	0	0	0	111.3	E438	H342-E438 WeakPolarHBondContact CB-OE2 3.3Å; H342-E438 PolarHBondContact N-OE2 3.21Å; H342-E438 PolarHBondContact ND1-O 3.26Å
343	W	97.4	Very high	90.3	Very high	43 Å²	43	73.8 Å²	73.8	16%	0.163	39%	0.387	C	S	.	.	S	Bend	trans	-92.3	-7.9	-171.7	-52.4	112.1	0	0	0	114.1	S340 A345 A346 L347 I371 L381 L436 C437	S340-W343 WeakPolarHBondContact OG-CB 3.37Å; S340-W343 PolarHBondContact OG-N 2.73Å; W343-A345 VanDerWaalsContact C-N 3.27Å; W343-A345 PolarHBondContact O-N 3.43Å; W343-A345 VanDerWaalsContact O-N 3.1Å; W343-A346 PolarHBondContact O-N 3.03Å; W343-L347 HydrophobicContact CB-CD1 3.95Å; W343-L347 HydrophobicContact CB-CG 4.23Å; W343-L347 PolarHBondContact O-N 3.36Å; W343-I371 HydrophobicContact CH2-CB 4.29Å; W343-I371 HydrophobicContact CH2-CG1 4.24Å; W343-I371 HydrophobicContact CH2-CG2 3.86Å; W343-I371 HydrophobicContact CZ2-CB 4.5Å; W343-I371 HydrophobicContact CZ2-CG1 4.35Å; W343-I371 HydrophobicContact CZ2-CG2 3.74Å; W343-I371 HydrophobicContact CZ3-CG1 4.39Å; W343-L381 HydrophobicContact CB-CD1 4.17Å; W343-L381 HydrophobicContact CB-CD2 3.7Å; W343-L381 HydrophobicContact CD2-CD2 4.01Å; W343-L381 HydrophobicContact CE3-CD1 4.17Å; W343-L381 HydrophobicContact CE3-CD2 4.29Å; W343-L381 HydrophobicContact CG-CD2 3.73Å; W343-L436 HydrophobicContact CB-CD2 4.22Å; W343-L436 HydrophobicContact CG-CD1 4.39Å; W343-L436 HydrophobicContact CG-CD2 4.28Å; W343-C437 PolarHBondContact NE1-O 3.49Å
344	G	95.3	Very high	91.4	Very high	6 Å²	6	73.7 Å²	73.7	6%	0.062	36%	0.364	C	S	.	.	H	α-helix	trans	-57.1	-33.2	-168	0	0	0	0	0	115.1	S340 K348	S340-G344 WeakPolarHBondContact O-CA 3.14Å; S340-G344 PolarHBondContact O-N 3.11Å; G344-K348 WeakPolarHBondContact O-CB 3.23Å; G344-K348 VanDerWaalsContact O-CG 3.28Å; G344-K348 WeakPolarHBondContact O-CG 3.36Å; G344-K348 PolarHBondContact O-N 2.86Å
345	A	95.8	Very high	92.5	Very high	83 Å²	83	71.8 Å²	71.8	69%	0.686	35%	0.352	S	S	*	.	H	α-helix	trans	-68.1	-44.9	176.7	0	0	0	0	0	112.4	W343 D349	W343-A345 VanDerWaalsContact C-N 3.27Å; W343-A345 PolarHBondContact O-N 3.43Å; W343-A345 VanDerWaalsContact O-N 3.1Å; A345-D349 PolarHBondContact O-N 2.54Å
346	A	97.1	Very high	92.9	Very high	21 Å²	21	68.2 Å²	68.2	17%	0.174	34%	0.336	C	S	.	.	H	α-helix	trans	-68.3	-40.6	176.9	0	0	0	0	0	111.1	W343 K348 D349 L350 Y369 L381	W343-A346 PolarHBondContact O-N 3.03Å; A346-K348 PolarHBondContact O-N 3.07Å; A346-D349 PolarHBondContact O-N 3.33Å; A346-D349 VanDerWaalsContact O-N 3.17Å; A346-L350 PolarHBondContact O-N 3.05Å; A346-Y369 HydrophobicContact CB-CD1 4.35Å; A346-Y369 WeakPolarHBondContact O-CE1 3.38Å; A346-L381 HydrophobicContact CB-CD1 3.59Å
347	L	96.8	Very high	93	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-62.6	-40.1	176	-72.1	167.8	0	0	0	112.7	W336 P338 W343 D349 L350 H351 L381 F383 E388 L436	W336-L347 HydrophobicContact CH2-CB 3.86Å; P338-L347 HydrophobicContact CB-CB 4.46Å; P338-L347 HydrophobicContact CB-CD1 4.31Å; W343-L347 HydrophobicContact CB-CD1 3.95Å; W343-L347 HydrophobicContact CB-CG 4.23Å; W343-L347 PolarHBondContact O-N 3.36Å; L347-D349 VanDerWaalsContact C-N 3.28Å; L347-D349 PolarHBondContact O-N 2.88Å; L347-L350 PolarHBondContact O-N 2.79Å; L347-H351 VanDerWaalsContact O-CB 3.23Å; L347-H351 WeakPolarHBondContact O-CB 3.38Å; L347-H351 PolarHBondContact O-N 3.12Å; L347-L381 HydrophobicContact CD2-CB 3.99Å; L347-L381 HydrophobicContact CD2-CD1 4.43Å; L347-L381 HydrophobicContact CD2-CD2 4.13Å; L347-L381 HydrophobicContact CD2-CG 4.42Å; L347-L381 HydrophobicContact CG-CD1 4.33Å; L347-L381 HydrophobicContact CG-CD2 4.32Å; L347-F383 HydrophobicContact CB-CZ 4.29Å; L347-F383 HydrophobicContact CD2-CE2 4.31Å; L347-F383 HydrophobicContact CD2-CZ 3.97Å; L347-E388 HydrophobicContact CD1-CB 4.13Å; L347-E388 HydrophobicContact CD2-CB 4.33Å; L347-L436 HydrophobicContact CD1-CD2 3.79Å
348	K	94.9	Very high	93.1	Very high	122 Å²	122	64.8 Å²	64.8	53%	0.53	33%	0.327	S	S	.	.	H	α-helix	trans	-59.1	-40.1	173.2	-79.5	173.4	-177.9	174.9	0	112.3	W336 P338 G344 A346 R352	W336-K348 HydrophobicContact CZ3-CG 3.98Å; P338-K348 HydrophobicContact CG-CD 4.37Å; P338-K348 HydrophobicContact CG-CG 4.13Å; G344-K348 WeakPolarHBondContact O-CB 3.23Å; G344-K348 VanDerWaalsContact O-CG 3.28Å; G344-K348 WeakPolarHBondContact O-CG 3.36Å; G344-K348 PolarHBondContact O-N 2.86Å; A346-K348 PolarHBondContact O-N 3.07Å; K348-R352 WeakPolarHBondContact O-CB 3.36Å; K348-R352 PolarHBondContact O-N 3.03Å
349	D	94.4	Very high	93.1	Very high	23 Å²	23	66.1 Å²	66.1	12%	0.123	35%	0.346	C	S	.	.	H	α-helix	trans	-68.8	-47.1	176	-165.6	48.8	0	0	0	111.6	A345 A346 L347 H351 R352 I353 K368 Y369	A345-D349 PolarHBondContact O-N 2.54Å; A346-D349 PolarHBondContact O-N 3.33Å; A346-D349 VanDerWaalsContact O-N 3.17Å; L347-D349 VanDerWaalsContact C-N 3.28Å; L347-D349 PolarHBondContact O-N 2.88Å; D349-H351 VanDerWaalsContact C-N 3.3Å; D349-H351 PolarHBondContact O-N 2.73Å; D349-R352 PolarHBondContact O-N 2.79Å; D349-R352 VanDerWaalsContact O-N 3.1Å; D349-R352 IonicContact OD1-CZ 3.02Å; D349-R352 IonicContact OD1-NE 3.84Å; D349-R352 IonicContact OD1-NH2 3.48Å; D349-R352 PolarHBondContact OD1-NH2 3.16Å; D349-I353 WeakPolarHBondContact O-CG2 3.49Å; D349-I353 PolarHBondContact O-N 2.84Å; D349-K368 VanDerWaalsContact OD2-CE 3.3Å; D349-K368 WeakPolarHBondContact OD2-CE 3.29Å; D349-K368 IonicContact OD2-NZ 3.11Å; D349-K368 PolarHBondContact OD2-NZ 2.96Å; D349-Y369 PolarHBondContact OD2-OH 2.8Å
350	L	94.9	Very high	93.2	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59.2	-40.3	177.4	-174.5	59.3	0	0	0	112.4	A346 L347 R352 I353 R355 K362 F364 Y369 L381 F383	A346-L350 PolarHBondContact O-N 3.05Å; L347-L350 PolarHBondContact O-N 2.79Å; L350-R352 VanDerWaalsContact C-N 3.33Å; L350-R352 PolarHBondContact O-N 2.78Å; L350-I353 HydrophobicContact CD1-CD1 4.18Å; L350-I353 HydrophobicContact CD1-CG1 4.39Å; L350-I353 WeakPolarHBondContact O-CG1 3.3Å; L350-R355 HydrophobicContact CD1-CG 4.42Å; L350-K362 VanDerWaalsContact O-CE 3.23Å; L350-K362 WeakPolarHBondContact O-CE 3.4Å; L350-K362 PolarHBondContact O-NZ 3.18Å; L350-F364 HydrophobicContact CD1-CB 4.01Å; L350-Y369 HydrophobicContact CB-CD1 3.97Å; L350-Y369 HydrophobicContact CB-CE1 3.63Å; L350-Y369 HydrophobicContact CD1-CD1 4.4Å; L350-Y369 HydrophobicContact CD1-CD2 4.39Å; L350-Y369 HydrophobicContact CD1-CE1 4.26Å; L350-Y369 HydrophobicContact CD1-CE2 4.3Å; L350-Y369 HydrophobicContact CD1-CG 4.45Å; L350-Y369 HydrophobicContact CD2-CD1 4.37Å; L350-Y369 HydrophobicContact CG-CD1 4.47Å; L350-Y369 HydrophobicContact CG-CE1 4.42Å; L350-L381 HydrophobicContact CD2-CB 4.16Å; L350-L381 VanDerWaalsContact CD2-O 3.32Å; L350-L381 WeakPolarHBondContact CD2-O 3.42Å; L350-F383 HydrophobicContact CB-CE2 4.12Å; L350-F383 HydrophobicContact CD2-CD2 4.25Å; L350-F383 HydrophobicContact CD2-CE2 4.01Å; L350-F383 HydrophobicContact CG-CD2 4.32Å; L350-F383 HydrophobicContact CG-CE2 3.93Å
351	H	92.4	Very high	93.3	Very high	51 Å²	51	64.3 Å²	64.3	24%	0.236	34%	0.335	C	S	.	.	H	α-helix	trans	-60.8	-43.5	175.9	-174.4	-88.7	0	0	0	111	E334 W336 L347 D349 K362 F383	E334-H351 IonicContact OE2-CE1 2.68Å; E334-H351 IonicContact OE2-NE2 3.62Å; W336-H351 AromaticContact CD2-CD2 3.65Å; W336-H351 AromaticContact CD2-CG 3.99Å; W336-H351 AromaticContact CD2-NE2 3.95Å; W336-H351 HydrophobicContact CE3-CB 3.95Å; W336-H351 AromaticContact CE3-CD2 3.82Å; W336-H351 AromaticContact CE3-CG 3.66Å; W336-H351 AromaticContact CG-CD2 3.9Å; W336-H351 AromaticContact CG-NE2 3.68Å; W336-H351 HydrophobicContact CZ3-CB 3.91Å; L347-H351 VanDerWaalsContact O-CB 3.23Å; L347-H351 WeakPolarHBondContact O-CB 3.38Å; L347-H351 PolarHBondContact O-N 3.12Å; D349-H351 VanDerWaalsContact C-N 3.3Å; D349-H351 PolarHBondContact O-N 2.73Å; H351-K362 PolarHBondContact O-NZ 2.95Å; H351-F383 HydrophobicContact CB-CE2 4.06Å; H351-F383 HydrophobicContact CB-CZ 3.81Å
352	R	88.7	Confident	93.5	Very high	192 Å²	192	60.9 Å²	60.9	73%	0.725	31%	0.307	S	S	*	.	H	α-helix	trans	-73.8	-39.3	-177.4	-178.4	179.4	62	-173.1	-1.8	113.5	K348 D349 L350	K348-R352 WeakPolarHBondContact O-CB 3.36Å; K348-R352 PolarHBondContact O-N 3.03Å; D349-R352 PolarHBondContact O-N 2.79Å; D349-R352 VanDerWaalsContact O-N 3.1Å; D349-R352 IonicContact OD1-CZ 3.02Å; D349-R352 IonicContact OD1-NE 3.84Å; D349-R352 IonicContact OD1-NH2 3.48Å; D349-R352 PolarHBondContact OD1-NH2 3.16Å; L350-R352 VanDerWaalsContact C-N 3.33Å; L350-R352 PolarHBondContact O-N 2.78Å
353	I	88.4	Confident	93.6	Very high	48 Å²	48	56.2 Å²	56.2	25%	0.246	29%	0.285	C	S	.	.	S	Bend	trans	-71.7	149.9	-176.6	63.8	165.7	0	0	0	111.7	D349 L350 R355 K362 F364 Y369	D349-I353 WeakPolarHBondContact O-CG2 3.49Å; D349-I353 PolarHBondContact O-N 2.84Å; L350-I353 HydrophobicContact CD1-CD1 4.18Å; L350-I353 HydrophobicContact CD1-CG1 4.39Å; L350-I353 WeakPolarHBondContact O-CG1 3.3Å; I353-R355 HydrophobicContact CD1-CG 4.18Å; I353-R355 HydrophobicContact CG1-CG 4.35Å; I353-R355 PolarHBondContact O-N 3Å; I353-K362 VanDerWaalsContact O-CE 3.32Å; I353-K362 WeakPolarHBondContact O-CE 3.3Å; I353-K362 PolarHBondContact O-NZ 3.16Å; I353-F364 HydrophobicContact CD1-CD1 4.17Å; I353-Y369 HydrophobicContact CD1-CE2 4.25Å; I353-Y369 WeakPolarHBondContact CD1-OH 3.45Å
354	Y	86.3	Confident	93.6	Very high	107 Å²	107	57.1 Å²	57.1	42%	0.42	29%	0.29	S	S	.	.			trans	-72	127.8	172	170.9	-95.7	0	0	0	110.5	R310	R310-Y354 VanDerWaalsContact CZ-CB 3.45Å
355	R	90.3	Very high	93.6	Very high	74 Å²	74	61 Å²	61	28%	0.279	31%	0.309	S	S	.	.			trans	-136.1	140.5	167.3	-67.6	-73.1	61.8	-158	-18.5	110.9	L350 I353 M357 K362 F364	L350-R355 HydrophobicContact CD1-CG 4.42Å; I353-R355 HydrophobicContact CD1-CG 4.18Å; I353-R355 HydrophobicContact CG1-CG 4.35Å; I353-R355 PolarHBondContact O-N 3Å; R355-M357 PolarHBondContact O-N 3.06Å; R355-K362 HydrophobicContact CB-CG 4.02Å; R355-F364 HydrophobicContact CG-CB 4.33Å
356	P	86.4	Confident	93.7	Very high	67 Å²	67	60.2 Å²	60.2	44%	0.435	29%	0.293	S	S	.	.			trans	-62.7	135.7	172.3	28.7	-33.3	0	0	0	108.8
357	M	90.9	Very high	93.6	Very high	109 Å²	109	65.6 Å²	65.6	54%	0.537	32%	0.315	S	S	.	.			trans	-72.1	138.4	172.3	-64.9	-63	-66.1	0	0	109.5	R355 K360 L361 K362	R355-M357 PolarHBondContact O-N 3.06Å; M357-K360 VanDerWaalsContact CE-C 3.48Å; M357-K360 WeakPolarHBondContact CE-O 3.49Å; M357-L361 WeakPolarHBondContact CA-O 3.38Å; M357-K362 HydrophobicContact CE-CB 4.32Å; M357-K362 HydrophobicContact SD-CB 3.61Å; M357-K362 HydrophobicContact SD-CG 4.26Å
358	I	93.8	Very high	93.6	Very high	29 Å²	29	71.2 Å²	71.2	15%	0.149	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-110	99.5	166.1	-65	163.4	0	0	0	105.6	K360 L361 F363 E424 H426 F431	I358-K360 PolarHBondContact O-N 2.93Å; I358-K360 VanDerWaalsContact O-N 3.08Å; I358-L361 PolarHBondContact N-O 2.87Å; I358-L361 WeakPolarHBondContact O-CB 3.26Å; I358-L361 PolarHBondContact O-N 3.32Å; I358-F363 HydrophobicContact CD1-CE1 3.82Å; I358-E424 HydrophobicContact CG2-CB 3.92Å; I358-E424 WeakPolarHBondContact O-CG 3.47Å; I358-H426 HydrophobicContact CD1-CB 4.48Å; I358-H426 HydrophobicContact CG2-CB 3.75Å; I358-F431 HydrophobicContact CD1-CD2 4.48Å; I358-F431 HydrophobicContact CD1-CE2 3.88Å; I358-F431 HydrophobicContact CG2-CD2 4.25Å; I358-F431 HydrophobicContact CG2-CE2 4.25Å
359	G	93.6	Very high	93.8	Very high	55 Å²	55	65.8 Å²	65.8	57%	0.567	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	-116.2	-168.6	0	0	0	0	0	110.8
360	K	95.6	Very high	94	Very high	98 Å²	98	66.6 Å²	66.6	43%	0.426	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-3.8	178.2	-63.5	167.9	172.7	-163.2	0	114.1	M357 I358 Y384 E385 E424	M357-K360 VanDerWaalsContact CE-C 3.48Å; M357-K360 WeakPolarHBondContact CE-O 3.49Å; I358-K360 PolarHBondContact O-N 2.93Å; I358-K360 VanDerWaalsContact O-N 3.08Å; K360-Y384 HydrophobicContact CB-CD2 4.1Å; K360-Y384 HydrophobicContact CB-CE1 4.31Å; K360-Y384 HydrophobicContact CB-CE2 3.7Å; K360-Y384 HydrophobicContact CD-CE1 4.06Å; K360-Y384 HydrophobicContact CD-CE2 4.44Å; K360-Y384 WeakPolarHBondContact CD-OH 3.4Å; K360-E385 HydrophobicContact CB-CG 4.02Å; K360-E385 HydrophobicContact CD-CG 3.79Å; K360-E385 WeakPolarHBondContact CD-OE1 3.46Å; K360-E385 WeakPolarHBondContact CE-OE1 3.28Å; K360-E385 HydrophobicContact CG-CG 4.16Å; K360-E385 IonicContact NZ-OE1 3.61Å; K360-E385 PolarHBondContact NZ-OE1 3.14Å; K360-E385 PolarHBondContact O-N 3.13Å; K360-E424 WeakPolarHBondContact CB-OE1 3.31Å; K360-E424 PolarHBondContact N-OE1 3.46Å
361	L	97.9	Very high	94.1	Very high	0 Å²	0	69 Å²	69	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	127.8	-173.7	178.8	59.8	0	0	0	112.6	M357 I358 F363 F383 Y384 V391 E424 F431	M357-L361 WeakPolarHBondContact CA-O 3.38Å; I358-L361 PolarHBondContact N-O 2.87Å; I358-L361 WeakPolarHBondContact O-CB 3.26Å; I358-L361 PolarHBondContact O-N 3.32Å; L361-F363 HydrophobicContact CD1-CB 4.21Å; L361-F363 HydrophobicContact CD1-CD1 4.43Å; L361-F363 HydrophobicContact CD2-CD1 3.63Å; L361-F363 HydrophobicContact CD2-CE1 3.82Å; L361-F363 HydrophobicContact CD2-CG 4.24Å; L361-F363 HydrophobicContact CG-CB 4.41Å; L361-F363 HydrophobicContact CG-CD1 3.76Å; L361-F363 HydrophobicContact CG-CE1 4.4Å; L361-F363 HydrophobicContact CG-CG 4.32Å; L361-F383 CarbonylContact C-O 3.34Å; L361-F383 WeakPolarHBondContact CA-O 3.27Å; L361-Y384 HydrophobicContact CB-CD2 4.14Å; L361-V391 HydrophobicContact CD1-CG2 3.81Å; L361-V391 HydrophobicContact CD2-CG1 3.94Å; L361-E424 HydrophobicContact CB-CG 3.89Å; L361-F431 HydrophobicContact CD2-CB 3.63Å; L361-F431 HydrophobicContact CD2-CD2 4.28Å; L361-F431 HydrophobicContact CD2-CG 4.11Å
362	K	97.5	Very high	94.3	Very high	37 Å²	37	68.6 Å²	68.6	16%	0.161	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.4	163.1	-174.8	-175.9	175.1	175.5	0	109.3	L350 H351 I353 R355 M357 G382 F383	L350-K362 VanDerWaalsContact O-CE 3.23Å; L350-K362 WeakPolarHBondContact O-CE 3.4Å; L350-K362 PolarHBondContact O-NZ 3.18Å; H351-K362 PolarHBondContact O-NZ 2.95Å; I353-K362 VanDerWaalsContact O-CE 3.32Å; I353-K362 WeakPolarHBondContact O-CE 3.3Å; I353-K362 PolarHBondContact O-NZ 3.16Å; R355-K362 HydrophobicContact CB-CG 4.02Å; M357-K362 HydrophobicContact CE-CB 4.32Å; M357-K362 HydrophobicContact SD-CB 3.61Å; M357-K362 HydrophobicContact SD-CG 4.26Å; K362-G382 CarbonylContact O-C 3.55Å; K362-G382 WeakPolarHBondContact O-CA 3.38Å; K362-F383 HydrophobicContact CB-CB 4.24Å; K362-F383 HydrophobicContact CD-CD2 4.48Å; K362-F383 PolarHBondContact N-O 3Å; K362-F383 PolarHBondContact O-N 3.3Å
363	F	97.9	Very high	94.6	Very high	15 Å²	15	65 Å²	65	7%	0.066	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	179.4	173.4	84.6	-59.4	0	0	0	111.5	I358 L361 I365 L381 V391 F431	I358-F363 HydrophobicContact CD1-CE1 3.82Å; L361-F363 HydrophobicContact CD1-CB 4.21Å; L361-F363 HydrophobicContact CD1-CD1 4.43Å; L361-F363 HydrophobicContact CD2-CD1 3.63Å; L361-F363 HydrophobicContact CD2-CE1 3.82Å; L361-F363 HydrophobicContact CD2-CG 4.24Å; L361-F363 HydrophobicContact CG-CB 4.41Å; L361-F363 HydrophobicContact CG-CD1 3.76Å; L361-F363 HydrophobicContact CG-CE1 4.4Å; L361-F363 HydrophobicContact CG-CG 4.32Å; F363-I365 HydrophobicContact CD2-CG1 4.29Å; F363-I365 HydrophobicContact CE2-CD1 4.02Å; F363-I365 HydrophobicContact CE2-CG1 3.38Å; F363-I365 HydrophobicContact CZ-CD1 3.92Å; F363-I365 HydrophobicContact CZ-CG1 3.73Å; F363-L381 WeakPolarHBondContact CB-O 3.44Å; F363-V391 HydrophobicContact CB-CG2 4.34Å; F363-V391 HydrophobicContact CD2-CB 4.3Å; F363-V391 HydrophobicContact CD2-CG1 4.07Å; F363-V391 HydrophobicContact CD2-CG2 4.46Å; F363-V391 HydrophobicContact CE2-CG1 4.09Å; F363-F431 HydrophobicContact CE1-CD1 4.3Å; F363-F431 HydrophobicContact CE1-CD2 4.28Å; F363-F431 HydrophobicContact CE1-CE1 4.33Å; F363-F431 HydrophobicContact CE1-CE2 4.28Å; F363-F431 HydrophobicContact CE1-CG 4.27Å; F363-F431 HydrophobicContact CE1-CZ 4.31Å; F363-F431 HydrophobicContact CE2-CD1 4.35Å; F363-F431 HydrophobicContact CE2-CE1 4.47Å; F363-F431 AromaticContact CZ-CD1 3.63Å; F363-F431 HydrophobicContact CZ-CD1 3.63Å; F363-F431 HydrophobicContact CZ-CD2 4.39Å; F363-F431 AromaticContact CZ-CE1 3.58Å; F363-F431 HydrophobicContact CZ-CE1 3.58Å; F363-F431 HydrophobicContact CZ-CE2 4.32Å; F363-F431 HydrophobicContact CZ-CG 4.05Å; F363-F431 AromaticContact CZ-CZ 3.94Å; F363-F431 HydrophobicContact CZ-CZ 3.94Å
364	F	97.1	Very high	94.8	Very high	62 Å²	62	64.5 Å²	64.5	27%	0.272	33%	0.33	S	S	.	.			trans	-145.4	120.5	174	-169.7	-166.7	0	0	0	111.1	L350 I353 R355 D366 Y369	L350-F364 HydrophobicContact CD1-CB 4.01Å; I353-F364 HydrophobicContact CD1-CD1 4.17Å; R355-F364 HydrophobicContact CG-CB 4.33Å; F364-D366 VanDerWaalsContact C-N 3.34Å; F364-D366 HydrophobicContact CD1-CB 3.89Å; F364-D366 HydrophobicContact CD2-CB 4.15Å; F364-D366 HydrophobicContact CE1-CB 3.8Å; F364-D366 HydrophobicContact CE2-CB 4.07Å; F364-D366 HydrophobicContact CG-CB 4.03Å; F364-D366 HydrophobicContact CZ-CB 3.88Å; F364-D366 PolarHBondContact O-N 2.6Å; F364-Y369 HydrophobicContact CB-CD2 3.87Å; F364-Y369 HydrophobicContact CB-CE2 4.15Å; F364-Y369 HydrophobicContact CD1-CD2 4Å; F364-Y369 AromaticContact CD1-CE2 3.63Å; F364-Y369 HydrophobicContact CD1-CE2 3.63Å; F364-Y369 HydrophobicContact CE1-CE2 4.44Å; F364-Y369 HydrophobicContact CG-CD2 4.27Å; F364-Y369 HydrophobicContact CG-CE2 4.31Å
365	I	96.1	Very high	94.8	Very high	89 Å²	89	63.5 Å²	63.5	46%	0.456	34%	0.338	S	S	.	.			trans	-72	91	168.8	-58.3	175.5	0	0	0	107.9	F363 Y380 F431	F363-I365 HydrophobicContact CD2-CG1 4.29Å; F363-I365 HydrophobicContact CE2-CD1 4.02Å; F363-I365 HydrophobicContact CE2-CG1 3.38Å; F363-I365 HydrophobicContact CZ-CD1 3.92Å; F363-I365 HydrophobicContact CZ-CG1 3.73Å; I365-Y380 HydrophobicContact CB-CE1 4.38Å; I365-Y380 HydrophobicContact CG1-CE2 4.45Å; I365-Y380 HydrophobicContact CG2-CE1 3.96Å; I365-Y380 HydrophobicContact CG2-CE2 4.36Å; I365-F431 HydrophobicContact CD1-CE1 4.34Å
366	D	96.3	Very high	94.7	Very high	66 Å²	66	62.2 Å²	62.2	35%	0.353	34%	0.335	S	S	.	.	S	Bend	trans	-153.3	147.2	179.2	-175.6	-84.3	0	0	0	108.3	F364 K368 Y369 K370	F364-D366 VanDerWaalsContact C-N 3.34Å; F364-D366 HydrophobicContact CD1-CB 3.89Å; F364-D366 HydrophobicContact CD2-CB 4.15Å; F364-D366 HydrophobicContact CE1-CB 3.8Å; F364-D366 HydrophobicContact CE2-CB 4.07Å; F364-D366 HydrophobicContact CG-CB 4.03Å; F364-D366 HydrophobicContact CZ-CB 3.88Å; F364-D366 PolarHBondContact O-N 2.6Å; D366-K368 PolarHBondContact O-N 2.75Å; D366-K368 VanDerWaalsContact O-N 3.13Å; D366-K368 WeakPolarHBondContact OD1-CB 3.09Å; D366-K368 PolarHBondContact OD1-N 3.45Å; D366-Y369 HydrophobicContact CB-CD2 4.03Å; D366-Y369 HydrophobicContact CB-CE2 4.47Å; D366-Y369 PolarHBondContact O-N 3.01Å; D366-K370 PolarHBondContact O-N 3.35Å; D366-K370 VanDerWaalsContact O-N 3.17Å
367	E	96.1	Very high	94.8	Very high	134 Å²	134	60.9 Å²	60.9	63%	0.626	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-56.2	-30.6	-178.5	-70.3	-56.6	137.5	0	0	112.7	Y369 K370	E367-Y369 PolarHBondContact O-N 2.97Å; E367-K370 PolarHBondContact O-N 3.08Å; E367-K370 VanDerWaalsContact OE1-CE 3.29Å; E367-K370 WeakPolarHBondContact OE1-CE 3.22Å; E367-K370 IonicContact OE1-NZ 3.48Å; E367-K370 PolarHBondContact OE1-NZ 3.2Å; E367-K370 IonicContact OE2-NZ 2.86Å
368	K	97.1	Very high	95.1	Very high	118 Å²	118	55.7 Å²	55.7	51%	0.513	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-61.9	-28.2	177.4	-175.2	173.6	-175.6	174.6	0	113.8	D349 D366	D349-K368 VanDerWaalsContact OD2-CE 3.3Å; D349-K368 WeakPolarHBondContact OD2-CE 3.29Å; D349-K368 IonicContact OD2-NZ 3.11Å; D349-K368 PolarHBondContact OD2-NZ 2.96Å; D366-K368 PolarHBondContact O-N 2.75Å; D366-K368 VanDerWaalsContact O-N 3.13Å; D366-K368 WeakPolarHBondContact OD1-CB 3.09Å; D366-K368 PolarHBondContact OD1-N 3.45Å
369	Y	97.9	Very high	95.3	Very high	8 Å²	8	56.4 Å²	56.4	3%	0.031	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-113.5	4.9	-176.4	-50.9	-68.3	0	0	0	112.5	A346 D349 L350 I353 F364 D366 E367 Y380 L381	A346-Y369 HydrophobicContact CB-CD1 4.35Å; A346-Y369 WeakPolarHBondContact O-CE1 3.38Å; D349-Y369 PolarHBondContact OD2-OH 2.8Å; L350-Y369 HydrophobicContact CB-CD1 3.97Å; L350-Y369 HydrophobicContact CB-CE1 3.63Å; L350-Y369 HydrophobicContact CD1-CD1 4.4Å; L350-Y369 HydrophobicContact CD1-CD2 4.39Å; L350-Y369 HydrophobicContact CD1-CE1 4.26Å; L350-Y369 HydrophobicContact CD1-CE2 4.3Å; L350-Y369 HydrophobicContact CD1-CG 4.45Å; L350-Y369 HydrophobicContact CD2-CD1 4.37Å; L350-Y369 HydrophobicContact CG-CD1 4.47Å; L350-Y369 HydrophobicContact CG-CE1 4.42Å; I353-Y369 HydrophobicContact CD1-CE2 4.25Å; I353-Y369 WeakPolarHBondContact CD1-OH 3.45Å; F364-Y369 HydrophobicContact CB-CD2 3.87Å; F364-Y369 HydrophobicContact CB-CE2 4.15Å; F364-Y369 HydrophobicContact CD1-CD2 4Å; F364-Y369 AromaticContact CD1-CE2 3.63Å; F364-Y369 HydrophobicContact CD1-CE2 3.63Å; F364-Y369 HydrophobicContact CE1-CE2 4.44Å; F364-Y369 HydrophobicContact CG-CD2 4.27Å; F364-Y369 HydrophobicContact CG-CE2 4.31Å; D366-Y369 HydrophobicContact CB-CD2 4.03Å; D366-Y369 HydrophobicContact CB-CE2 4.47Å; D366-Y369 PolarHBondContact O-N 3.01Å; E367-Y369 PolarHBondContact O-N 2.97Å; Y369-Y380 CarbonylContact O-C 3.6Å; Y369-Y380 VanDerWaalsContact O-CA 3.28Å; Y369-Y380 WeakPolarHBondContact O-CA 3.38Å; Y369-L381 PolarHBondContact O-N 3.19Å
370	K	98.3	Very high	95.5	Very high	40 Å²	40	54.5 Å²	54.5	17%	0.174	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	131.8	176.9	-173.5	-177	-76.9	179.5	0	109.6	D366 E367 D373 Y380	D366-K370 PolarHBondContact O-N 3.35Å; D366-K370 VanDerWaalsContact O-N 3.17Å; E367-K370 PolarHBondContact O-N 3.08Å; E367-K370 VanDerWaalsContact OE1-CE 3.29Å; E367-K370 WeakPolarHBondContact OE1-CE 3.22Å; E367-K370 IonicContact OE1-NZ 3.48Å; E367-K370 PolarHBondContact OE1-NZ 3.2Å; E367-K370 IonicContact OE2-NZ 2.86Å; K370-D373 WeakPolarHBondContact CE-OD1 3.43Å; K370-D373 IonicContact NZ-OD1 3.32Å; K370-D373 PolarHBondContact NZ-OD1 2.91Å; K370-Y380 HydrophobicContact CB-CD1 3.93Å; K370-Y380 HydrophobicContact CB-CE1 3.78Å; K370-Y380 HydrophobicContact CD-CE1 4.48Å; K370-Y380 WeakPolarHBondContact CE-OH 3.14Å; K370-Y380 HydrophobicContact CG-CD1 4.32Å; K370-Y380 HydrophobicContact CG-CE1 3.94Å
371	I	97.6	Very high	95.7	Very high	51 Å²	51	49.9 Å²	49.9	26%	0.262	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-47.6	174.2	-57.9	-178.3	0	0	0	109.5	W343 I379 L381 A390 L436	W343-I371 HydrophobicContact CH2-CB 4.29Å; W343-I371 HydrophobicContact CH2-CG1 4.24Å; W343-I371 HydrophobicContact CH2-CG2 3.86Å; W343-I371 HydrophobicContact CZ2-CB 4.5Å; W343-I371 HydrophobicContact CZ2-CG1 4.35Å; W343-I371 HydrophobicContact CZ2-CG2 3.74Å; W343-I371 HydrophobicContact CZ3-CG1 4.39Å; I371-I379 HydrophobicContact CB-CB 4.22Å; I371-I379 HydrophobicContact CB-CG2 4.1Å; I371-I379 HydrophobicContact CD1-CG2 4.03Å; I371-I379 HydrophobicContact CG1-CG2 4.46Å; I371-I379 PolarHBondContact N-O 3.2Å; I371-L381 HydrophobicContact CD1-CD2 3.74Å; I371-L381 HydrophobicContact CD1-CG 4.23Å; I371-L381 HydrophobicContact CG1-CD2 4.11Å; I371-L381 HydrophobicContact CG1-CG 4.14Å; I371-A390 HydrophobicContact CD1-CB 4.2Å; I371-L436 HydrophobicContact CD1-CD1 3.58Å
372	A	96.9	Very high	95.7	Very high	41 Å²	41	49.9 Å²	49.9	34%	0.339	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	156.3	-178.8	0	0	0	0	0	111.5	G378 I379	A372-G378 CarbonylContact O-C 3.56Å; A372-G378 VanDerWaalsContact O-CA 3.27Å; A372-G378 WeakPolarHBondContact O-CA 3.39Å; A372-I379 HydrophobicContact CB-CD1 4.45Å; A372-I379 PolarHBondContact N-O 2.96Å; A372-I379 PolarHBondContact O-N 3.23Å
373	D	95.1	Very high	95.7	Very high	117 Å²	117	48.5 Å²	48.5	63%	0.626	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	150.2	167	-66.7	-64.1	0	0	0	110.8	K370	K370-D373 WeakPolarHBondContact CE-OD1 3.43Å; K370-D373 IonicContact NZ-OD1 3.32Å; K370-D373 PolarHBondContact NZ-OD1 2.91Å
374	T	92.9	Very high	95.7	Very high	38 Å²	38	48.5 Å²	48.5	23%	0.233	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	170.7	175.3	69.3	0	0	0	0	110.4	E376 G377 G378 I379	T374-E376 PolarHBondContact O-N 3.36Å; T374-E376 PolarHBondContact OG1-N 2.97Å; T374-G377 PolarHBondContact N-O 3.47Å; T374-G377 PolarHBondContact OG1-N 2.99Å; T374-G377 PolarHBondContact OG1-O 3.44Å; T374-G378 PolarHBondContact OG1-N 3.4Å; T374-I379 HydrophobicContact CG2-CD1 4.2Å; T374-I379 HydrophobicContact CG2-CG1 3.69Å
375	S	86	Confident	95.5	Very high	85 Å²	85	50.8 Å²	50.8	59%	0.594	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.2	176.7	56.4	0	0	0	0	113.9
376	E	87.3	Confident	95.3	Very high	48 Å²	48	53.5 Å²	53.5	22%	0.224	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126	43.6	-179.2	-64.4	-170.5	-171.8	0	0	112	T374 T393 F394 C395 S398	T374-E376 PolarHBondContact O-N 3.36Å; T374-E376 PolarHBondContact OG1-N 2.97Å; E376-T393 CarbonylContact O-C 3.56Å; E376-T393 PolarHBondContact O-OG1 3.44Å; E376-F394 HydrophobicContact CB-CD1 4.28Å; E376-C395 PolarHBondContact OE2-N 2.95Å; E376-S398 VanDerWaalsContact OE1-CB 3.3Å; E376-S398 WeakPolarHBondContact OE1-CB 3.34Å; E376-S398 PolarHBondContact OE1-OG 3.34Å; E376-S398 WeakPolarHBondContact OE2-CB 3.29Å; E376-S398 PolarHBondContact OE2-OG 2.98Å
377	G	89.4	Confident	95.2	Very high	38 Å²	38	54.5 Å²	54.5	39%	0.392	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	122.1	-110.9	175.1	0	0	0	0	0	111.4	T374 T393	T374-G377 PolarHBondContact N-O 3.47Å; T374-G377 PolarHBondContact OG1-N 2.99Å; T374-G377 PolarHBondContact OG1-O 3.44Å; G377-T393 WeakPolarHBondContact CA-OG1 3.12Å
378	G	96.5	Very high	95.3	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	177.4	-177.7	0	0	0	0	0	113.9	A372 T374 Y380 T393	A372-G378 CarbonylContact O-C 3.56Å; A372-G378 VanDerWaalsContact O-CA 3.27Å; A372-G378 WeakPolarHBondContact O-CA 3.39Å; T374-G378 PolarHBondContact OG1-N 3.4Å; G378-Y380 VanDerWaalsContact C-CE2 3.5Å; G378-T393 PolarHBondContact N-OG1 2.67Å; G378-T393 PolarHBondContact O-N 2.96Å; G378-T393 PolarHBondContact O-OG1 2.96Å
379	I	98.3	Very high	95.3	Very high	44 Å²	44	43.3 Å²	43.3	23%	0.226	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	129.8	169.1	-54.2	177.3	0	0	0	107.3	I371 A372 T374 A390 V391 K392	I371-I379 HydrophobicContact CB-CB 4.22Å; I371-I379 HydrophobicContact CB-CG2 4.1Å; I371-I379 HydrophobicContact CD1-CG2 4.03Å; I371-I379 HydrophobicContact CG1-CG2 4.46Å; I371-I379 PolarHBondContact N-O 3.2Å; A372-I379 HydrophobicContact CB-CD1 4.45Å; A372-I379 PolarHBondContact N-O 2.96Å; A372-I379 PolarHBondContact O-N 3.23Å; T374-I379 HydrophobicContact CG2-CD1 4.2Å; T374-I379 HydrophobicContact CG2-CG1 3.69Å; I379-A390 HydrophobicContact CG2-CB 3.97Å; I379-V391 CarbonylContact C-O 3.49Å; I379-V391 VanDerWaalsContact CA-O 3.3Å; I379-V391 WeakPolarHBondContact CA-O 3.38Å; I379-K392 HydrophobicContact CG1-CB 4.41Å; I379-K392 HydrophobicContact CG1-CG 4.18Å
380	Y	98.6	Very high	95.4	Very high	15 Å²	15	43.4 Å²	43.4	6%	0.059	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	156.4	-175.8	-58.4	-93.3	0	0	0	111.7	I365 Y369 K370 G378 V391 T393	I365-Y380 HydrophobicContact CB-CE1 4.38Å; I365-Y380 HydrophobicContact CG1-CE2 4.45Å; I365-Y380 HydrophobicContact CG2-CE1 3.96Å; I365-Y380 HydrophobicContact CG2-CE2 4.36Å; Y369-Y380 CarbonylContact O-C 3.6Å; Y369-Y380 VanDerWaalsContact O-CA 3.28Å; Y369-Y380 WeakPolarHBondContact O-CA 3.38Å; K370-Y380 HydrophobicContact CB-CD1 3.93Å; K370-Y380 HydrophobicContact CB-CE1 3.78Å; K370-Y380 HydrophobicContact CD-CE1 4.48Å; K370-Y380 WeakPolarHBondContact CE-OH 3.14Å; K370-Y380 HydrophobicContact CG-CD1 4.32Å; K370-Y380 HydrophobicContact CG-CE1 3.94Å; G378-Y380 VanDerWaalsContact C-CE2 3.5Å; Y380-V391 PolarHBondContact N-O 2.69Å; Y380-V391 PolarHBondContact O-N 3.25Å; Y380-T393 HydrophobicContact CD2-CG2 3.82Å; Y380-T393 HydrophobicContact CE2-CG2 3.77Å
381	L	98.6	Very high	95.4	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	140.2	168.7	-62.3	170.3	0	0	0	110.6	W343 A346 L347 L350 F363 Y369 I371 L436	W343-L381 HydrophobicContact CB-CD1 4.17Å; W343-L381 HydrophobicContact CB-CD2 3.7Å; W343-L381 HydrophobicContact CD2-CD2 4.01Å; W343-L381 HydrophobicContact CE3-CD1 4.17Å; W343-L381 HydrophobicContact CE3-CD2 4.29Å; W343-L381 HydrophobicContact CG-CD2 3.73Å; A346-L381 HydrophobicContact CB-CD1 3.59Å; L347-L381 HydrophobicContact CD2-CB 3.99Å; L347-L381 HydrophobicContact CD2-CD1 4.43Å; L347-L381 HydrophobicContact CD2-CD2 4.13Å; L347-L381 HydrophobicContact CD2-CG 4.42Å; L347-L381 HydrophobicContact CG-CD1 4.33Å; L347-L381 HydrophobicContact CG-CD2 4.32Å; L350-L381 HydrophobicContact CD2-CB 4.16Å; L350-L381 VanDerWaalsContact CD2-O 3.32Å; L350-L381 WeakPolarHBondContact CD2-O 3.42Å; F363-L381 WeakPolarHBondContact CB-O 3.44Å; Y369-L381 PolarHBondContact O-N 3.19Å; I371-L381 HydrophobicContact CD1-CD2 3.74Å; I371-L381 HydrophobicContact CD1-CG 4.23Å; I371-L381 HydrophobicContact CG1-CD2 4.11Å; I371-L381 HydrophobicContact CG1-CG 4.14Å; L381-L436 HydrophobicContact CD2-CD1 3.68Å; L381-L436 HydrophobicContact CD2-CD2 3.77Å; L381-L436 HydrophobicContact CD2-CG 4.41Å
382	G	98.2	Very high	95.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	176.5	176.5	0	0	0	0	0	113.7	K362 V389	K362-G382 CarbonylContact O-C 3.55Å; K362-G382 WeakPolarHBondContact O-CA 3.38Å; G382-V389 PolarHBondContact N-O 2.99Å; G382-V389 WeakPolarHBondContact O-CG2 3.28Å; G382-V389 PolarHBondContact O-N 3.02Å
383	F	98	Very high	95.5	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.035	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.3	170.8	-61.1	-89.1	0	0	0	110.3	W336 L347 L350 H351 L361 K362 Q387 E388	W336-F383 AromaticContact CE2-CE1 3.89Å; W336-F383 AromaticContact CH2-CE1 3.89Å; W336-F383 HydrophobicContact CH2-CE1 3.89Å; W336-F383 AromaticContact CH2-CZ 3.83Å; W336-F383 HydrophobicContact CH2-CZ 3.83Å; W336-F383 AromaticContact CZ2-CE1 3.43Å; W336-F383 HydrophobicContact CZ2-CE1 3.43Å; W336-F383 VanDerWaalsContact CZ2-CE1 3.43Å; W336-F383 AromaticContact CZ2-CZ 3.87Å; W336-F383 HydrophobicContact CZ2-CZ 3.87Å; W336-F383 HydrophobicContact CZ3-CZ 4.45Å; L347-F383 HydrophobicContact CB-CZ 4.29Å; L347-F383 HydrophobicContact CD2-CE2 4.31Å; L347-F383 HydrophobicContact CD2-CZ 3.97Å; L350-F383 HydrophobicContact CB-CE2 4.12Å; L350-F383 HydrophobicContact CD2-CD2 4.25Å; L350-F383 HydrophobicContact CD2-CE2 4.01Å; L350-F383 HydrophobicContact CG-CD2 4.32Å; L350-F383 HydrophobicContact CG-CE2 3.93Å; H351-F383 HydrophobicContact CB-CE2 4.06Å; H351-F383 HydrophobicContact CB-CZ 3.81Å; L361-F383 CarbonylContact C-O 3.34Å; L361-F383 WeakPolarHBondContact CA-O 3.27Å; K362-F383 HydrophobicContact CB-CB 4.24Å; K362-F383 HydrophobicContact CD-CD2 4.48Å; K362-F383 PolarHBondContact N-O 3Å; K362-F383 PolarHBondContact O-N 3.3Å; F383-Q387 CarbonylContact C-O 3.53Å; F383-Q387 WeakPolarHBondContact CA-O 3.41Å; F383-E388 HydrophobicContact CE1-CB 4.47Å
384	Y	97.4	Very high	95.6	Very high	16 Å²	16	32.9 Å²	32.9	6%	0.063	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	119.4	173.1	-166.7	-94	0	0	0	108.6	K360 L361 K386 Q387 E424 C433	K360-Y384 HydrophobicContact CB-CD2 4.1Å; K360-Y384 HydrophobicContact CB-CE1 4.31Å; K360-Y384 HydrophobicContact CB-CE2 3.7Å; K360-Y384 HydrophobicContact CD-CE1 4.06Å; K360-Y384 HydrophobicContact CD-CE2 4.44Å; K360-Y384 WeakPolarHBondContact CD-OH 3.4Å; L361-Y384 HydrophobicContact CB-CD2 4.14Å; Y384-K386 PolarHBondContact O-N 2.83Å; Y384-Q387 PolarHBondContact N-O 3.07Å; Y384-Q387 WeakPolarHBondContact O-CB 3.31Å; Y384-Q387 PolarHBondContact O-N 3.15Å; Y384-E424 HydrophobicContact CE2-CG 3.89Å; Y384-C433 HydrophobicContact CD2-CB 4.06Å; Y384-C433 VanDerWaalsContact CD2-SG 3.6Å; Y384-C433 HydrophobicContact CG-CB 4.13Å
385	E	93.8	Very high	95.7	Very high	109 Å²	109	34.4 Å²	34.4	51%	0.509	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	40.5	-173	-60.3	-172	142	0	0	113.1	K360 Q387	K360-E385 HydrophobicContact CB-CG 4.02Å; K360-E385 HydrophobicContact CD-CG 3.79Å; K360-E385 WeakPolarHBondContact CD-OE1 3.46Å; K360-E385 WeakPolarHBondContact CE-OE1 3.28Å; K360-E385 HydrophobicContact CG-CG 4.16Å; K360-E385 IonicContact NZ-OE1 3.61Å; K360-E385 PolarHBondContact NZ-OE1 3.14Å; K360-E385 PolarHBondContact O-N 3.13Å; E385-Q387 PolarHBondContact O-N 3.45Å
386	K	90.8	Very high	96	Very high	147 Å²	147	34.3 Å²	34.3	64%	0.639	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.5	3.1	-175.6	-50.8	-172.9	172	-161.3	0	116	E334 Y384	E334-K386 IonicContact OE1-NZ 3.92Å; E334-K386 PolarHBondContact OE1-NZ 3.47Å; Y384-K386 PolarHBondContact O-N 2.83Å
387	Q	95.2	Very high	96.2	Very high	86 Å²	86	35.1 Å²	35.1	40%	0.402	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	140.8	173.7	-60.3	-60.4	-30.4	0	0	111.3	F383 Y384 E385 Y421	F383-Q387 CarbonylContact C-O 3.53Å; F383-Q387 WeakPolarHBondContact CA-O 3.41Å; Y384-Q387 PolarHBondContact N-O 3.07Å; Y384-Q387 WeakPolarHBondContact O-CB 3.31Å; Y384-Q387 PolarHBondContact O-N 3.15Å; E385-Q387 PolarHBondContact O-N 3.45Å; Q387-Y421 HydrophobicContact CB-CE1 4.07Å; Q387-Y421 HydrophobicContact CG-CE1 4.26Å
388	E	97.3	Very high	96.5	Very high	18 Å²	18	33.9 Å²	33.9	8%	0.084	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	130.6	173.9	59.4	-176.7	-130.9	0	0	111.1	Q339 S340 L347 F383 L436	Q339-E388 WeakPolarHBondContact CB-OE1 3.47Å; Q339-E388 PolarHBondContact N-OE2 3.26Å; S340-E388 WeakPolarHBondContact CB-OE1 3.43Å; S340-E388 PolarHBondContact N-OE1 3.13Å; L347-E388 HydrophobicContact CD1-CB 4.13Å; L347-E388 HydrophobicContact CD2-CB 4.33Å; F383-E388 HydrophobicContact CE1-CB 4.47Å; E388-L436 HydrophobicContact CB-CD2 4.28Å; E388-L436 HydrophobicContact CG-CD2 4.44Å
389	V	98.3	Very high	96.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155.7	-175.3	-66.8	0	0	0	0	111.5	G382 V391 Y421 C433 V434	G382-V389 PolarHBondContact N-O 2.99Å; G382-V389 WeakPolarHBondContact O-CG2 3.28Å; G382-V389 PolarHBondContact O-N 3.02Å; V389-V391 HydrophobicContact CG2-CG2 3.95Å; V389-Y421 HydrophobicContact CG1-CD1 4.34Å; V389-Y421 HydrophobicContact CG1-CD2 3.82Å; V389-Y421 HydrophobicContact CG1-CE2 4.14Å; V389-Y421 HydrophobicContact CG1-CG 3.93Å; V389-C433 HydrophobicContact CB-CB 4.4Å; V389-C433 HydrophobicContact CG2-CB 4.23Å; V389-V434 WeakPolarHBondContact CA-O 3.25Å; V389-V434 WeakPolarHBondContact CB-O 3.28Å
390	A	98.6	Very high	96.3	Very high	10 Å²	10	39 Å²	39	8%	0.083	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	131.5	159.7	0	0	0	0	0	108.9	I371 I379 V434 L436	I371-A390 HydrophobicContact CD1-CB 4.2Å; I379-A390 HydrophobicContact CG2-CB 3.97Å; A390-V434 HydrophobicContact CB-CG2 4.13Å; A390-V434 PolarHBondContact N-O 3.29Å; A390-V434 PolarHBondContact O-N 3.26Å; A390-L436 HydrophobicContact CB-CD1 4.06Å
391	V	98.6	Very high	96.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	106.1	-176.8	-174	0	0	0	0	108.6	L361 F363 I379 Y380 V389 F431 V432	L361-V391 HydrophobicContact CD1-CG2 3.81Å; L361-V391 HydrophobicContact CD2-CG1 3.94Å; F363-V391 HydrophobicContact CB-CG2 4.34Å; F363-V391 HydrophobicContact CD2-CB 4.3Å; F363-V391 HydrophobicContact CD2-CG1 4.07Å; F363-V391 HydrophobicContact CD2-CG2 4.46Å; F363-V391 HydrophobicContact CE2-CG1 4.09Å; I379-V391 CarbonylContact C-O 3.49Å; I379-V391 VanDerWaalsContact CA-O 3.3Å; I379-V391 WeakPolarHBondContact CA-O 3.38Å; Y380-V391 PolarHBondContact N-O 2.69Å; Y380-V391 PolarHBondContact O-N 3.25Å; V389-V391 HydrophobicContact CG2-CG2 3.95Å; V391-F431 HydrophobicContact CG1-CB 3.88Å; V391-V432 WeakPolarHBondContact CA-O 3.46Å
392	K	98.4	Very high	95.9	Very high	14 Å²	14	46 Å²	46	6%	0.061	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.8	174.5	-168.4	174.7	179.3	-166.5	0	109.4	I379 F394 E404 V432 D503	I379-K392 HydrophobicContact CG1-CB 4.41Å; I379-K392 HydrophobicContact CG1-CG 4.18Å; K392-F394 HydrophobicContact CB-CE2 4.18Å; K392-F394 HydrophobicContact CD-CE2 3.79Å; K392-F394 HydrophobicContact CD-CZ 3.56Å; K392-F394 HydrophobicContact CG-CD2 4.48Å; K392-F394 HydrophobicContact CG-CE2 3.67Å; K392-F394 HydrophobicContact CG-CZ 3.85Å; K392-E404 IonicContact NZ-OE2 2.75Å; K392-E404 PolarHBondContact NZ-OE2 2.82Å; K392-V432 PolarHBondContact N-O 3.16Å; K392-V432 PolarHBondContact O-N 3.13Å; K392-D503 IonicContact NZ-OD1 3.93Å; K392-D503 PolarHBondContact NZ-OD1 2.83Å
393	T	97.9	Very high	95.8	Very high	11 Å²	11	49 Å²	49	7%	0.067	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	145.9	-177.9	67.4	0	0	0	0	111.4	E376 G377 G378 Y380 L430 F431	E376-T393 CarbonylContact O-C 3.56Å; E376-T393 PolarHBondContact O-OG1 3.44Å; G377-T393 WeakPolarHBondContact CA-OG1 3.12Å; G378-T393 PolarHBondContact N-OG1 2.67Å; G378-T393 PolarHBondContact O-N 2.96Å; G378-T393 PolarHBondContact O-OG1 2.96Å; Y380-T393 HydrophobicContact CD2-CG2 3.82Å; Y380-T393 HydrophobicContact CE2-CG2 3.77Å; T393-L430 CarbonylContact C-O 3.59Å; T393-L430 WeakPolarHBondContact CA-O 3.48Å; T393-F431 HydrophobicContact CG2-CD1 3.95Å; T393-F431 HydrophobicContact CG2-CE1 4.2Å
394	F	97.6	Very high	95.7	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.013	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	162.3	171.5	-61.8	-90.1	0	0	0	111.8	E376 K392 R400 A401 E404 H429 L430 V432 D505	E376-F394 HydrophobicContact CB-CD1 4.28Å; K392-F394 HydrophobicContact CB-CE2 4.18Å; K392-F394 HydrophobicContact CD-CE2 3.79Å; K392-F394 HydrophobicContact CD-CZ 3.56Å; K392-F394 HydrophobicContact CG-CD2 4.48Å; K392-F394 HydrophobicContact CG-CE2 3.67Å; K392-F394 HydrophobicContact CG-CZ 3.85Å; F394-R400 HydrophobicContact CD1-CB 4.19Å; F394-R400 HydrophobicContact CE1-CB 4.08Å; F394-A401 HydrophobicContact CB-CB 3.73Å; F394-A401 HydrophobicContact CD1-CB 4.33Å; F394-A401 HydrophobicContact CG-CB 4.02Å; F394-E404 HydrophobicContact CE2-CB 4.22Å; F394-E404 HydrophobicContact CE2-CG 3.95Å; F394-E404 HydrophobicContact CZ-CB 3.89Å; F394-E404 HydrophobicContact CZ-CG 3.83Å; F394-H429 WeakPolarHBondContact O-CA 3.37Å; F394-L430 HydrophobicContact CB-CB 4.36Å; F394-L430 PolarHBondContact N-O 3.29Å; F394-L430 PolarHBondContact O-N 3Å; F394-V432 HydrophobicContact CD2-CG2 3.89Å; F394-V432 HydrophobicContact CE2-CB 4.31Å; F394-V432 HydrophobicContact CE2-CG2 3.82Å; F394-D505 HydrophobicContact CE1-CB 3.89Å; F394-D505 HydrophobicContact CZ-CB 4.08Å
395	C	96	Very high	95.7	Very high	69 Å²	69	49 Å²	49	47%	0.466	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	124.3	157.5	-72	0	0	0	0	108.6	E376 G397 S398	E376-C395 PolarHBondContact OE2-N 2.95Å; C395-G397 VanDerWaalsContact C-N 3.26Å; C395-G397 PolarHBondContact O-N 2.73Å; C395-G397 VanDerWaalsContact O-N 3.1Å; C395-S398 WeakPolarHBondContact O-CB 3.24Å; C395-S398 PolarHBondContact O-N 3.17Å; C395-S398 PolarHBondContact O-OG 3.2Å
396	E	91.9	Very high	95.8	Very high	83 Å²	83	46.1 Å²	46.1	39%	0.388	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-34.1	-168.3	-178.7	173.9	-148.9	0	0	114.2	S425 G428 L430	E396-S425 WeakPolarHBondContact OE1-CB 3.02Å; E396-S425 PolarHBondContact OE1-OG 3.38Å; E396-G428 WeakPolarHBondContact CB-O 3.37Å; E396-G428 PolarHBondContact N-O 2.95Å; E396-L430 HydrophobicContact CB-CB 4.22Å; E396-L430 HydrophobicContact CG-CB 4.49Å
397	G	90.7	Very high	96	Very high	65 Å²	65	39.1 Å²	39.1	67%	0.67	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-1.1	179.1	0	0	0	0	0	115.4	C395	C395-G397 VanDerWaalsContact C-N 3.26Å; C395-G397 PolarHBondContact O-N 2.73Å; C395-G397 VanDerWaalsContact O-N 3.1Å
398	S	95.8	Very high	96.1	Very high	12 Å²	12	35 Å²	35	8%	0.084	20%	0.195	C	C	.	.	S	Bend	trans	-70.9	150.9	-172.2	81.5	0	0	0	0	112.1	E376 C395 R400 A401 R402	E376-S398 VanDerWaalsContact OE1-CB 3.3Å; E376-S398 WeakPolarHBondContact OE1-CB 3.34Å; E376-S398 PolarHBondContact OE1-OG 3.34Å; E376-S398 WeakPolarHBondContact OE2-CB 3.29Å; E376-S398 PolarHBondContact OE2-OG 2.98Å; C395-S398 WeakPolarHBondContact O-CB 3.24Å; C395-S398 PolarHBondContact O-N 3.17Å; C395-S398 PolarHBondContact O-OG 3.2Å; S398-R400 VanDerWaalsContact C-N 3.26Å; S398-R400 PolarHBondContact O-N 3.32Å; S398-A401 PolarHBondContact O-N 2.83Å; S398-A401 WeakPolarHBondContact OG-CB 3.21Å; S398-A401 PolarHBondContact OG-N 2.96Å; S398-R402 PolarHBondContact O-N 2.89Å
399	P	95.1	Very high	96	Very high	76 Å²	76	39.2 Å²	39.2	49%	0.494	21%	0.214	S	C	.	.	H	α-helix	trans	-57.2	-41.1	171.4	-24.4	34.7	0	0	0	112.3	A401 R402 Q403	P399-A401 PolarHBondContact O-N 2.94Å; P399-R402 PolarHBondContact O-N 3.35Å; P399-Q403 WeakPolarHBondContact O-CG 3.32Å; P399-Q403 PolarHBondContact O-N 2.94Å; P399-Q403 PolarHBondContact O-OE1 3.06Å
400	R	95.2	Very high	95.6	Very high	76 Å²	76	42 Å²	42	29%	0.287	23%	0.234	S	C	.	.	H	α-helix	trans	-58.6	-47.3	178.3	-76.4	178.6	-179	-93.2	4	112.6	F394 S398 R402 Q403 E404 D505	F394-R400 HydrophobicContact CD1-CB 4.19Å; F394-R400 HydrophobicContact CE1-CB 4.08Å; S398-R400 VanDerWaalsContact C-N 3.26Å; S398-R400 PolarHBondContact O-N 3.32Å; R400-R402 VanDerWaalsContact C-N 3.31Å; R400-R402 PolarHBondContact O-N 2.87Å; R400-Q403 PolarHBondContact O-N 3.37Å; R400-E404 WeakPolarHBondContact O-CB 3.39Å; R400-E404 PolarHBondContact O-N 2.79Å; R400-D505 HydrophobicContact CB-CB 3.96Å; R400-D505 WeakPolarHBondContact CD-OD2 3.47Å; R400-D505 HydrophobicContact CG-CB 4.27Å; R400-D505 IonicContact CZ-OD2 3.61Å; R400-D505 IonicContact NH1-OD1 2.82Å; R400-D505 PolarHBondContact NH1-OD1 3.25Å; R400-D505 IonicContact NH1-OD2 3.78Å; R400-D505 PolarHBondContact NH1-OD2 2.92Å
401	A	95.1	Very high	95.2	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	23%	0.232	C	C	.	.	H	α-helix	trans	-55.6	-46.7	175.5	0	0	0	0	0	112	F394 S398 P399 V405 L430	F394-A401 HydrophobicContact CB-CB 3.73Å; F394-A401 HydrophobicContact CD1-CB 4.33Å; F394-A401 HydrophobicContact CG-CB 4.02Å; S398-A401 PolarHBondContact O-N 2.83Å; S398-A401 WeakPolarHBondContact OG-CB 3.21Å; S398-A401 PolarHBondContact OG-N 2.96Å; P399-A401 PolarHBondContact O-N 2.94Å; A401-V405 WeakPolarHBondContact O-CG2 3.37Å; A401-V405 PolarHBondContact O-N 2.93Å; A401-V405 VanDerWaalsContact O-N 3.11Å; A401-L430 HydrophobicContact CB-CD2 3.78Å
402	R	94.9	Very high	94.7	Very high	163 Å²	163	48.5 Å²	48.5	62%	0.615	26%	0.257	S	S	*	.	H	α-helix	trans	-67	-40.8	179.8	-70.5	-175.4	-71.7	165.1	-1.6	112.2	S398 P399 R400 S406	S398-R402 PolarHBondContact O-N 2.89Å; P399-R402 PolarHBondContact O-N 3.35Å; R400-R402 VanDerWaalsContact C-N 3.31Å; R400-R402 PolarHBondContact O-N 2.87Å; R402-S406 WeakPolarHBondContact O-CB 3.2Å; R402-S406 PolarHBondContact O-N 3.28Å
403	Q	95.1	Very high	93.8	Very high	62 Å²	62	56.6 Å²	56.6	29%	0.29	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-49.2	177.8	-72.8	174.1	-79.8	0	0	111.3	P399 R400 S406 C407 D505 S507	P399-Q403 WeakPolarHBondContact O-CG 3.32Å; P399-Q403 PolarHBondContact O-N 2.94Å; P399-Q403 PolarHBondContact O-OE1 3.06Å; R400-Q403 PolarHBondContact O-N 3.37Å; Q403-S406 PolarHBondContact O-N 3.03Å; Q403-C407 WeakPolarHBondContact O-CB 3.33Å; Q403-C407 PolarHBondContact O-N 3.35Å; Q403-D505 WeakPolarHBondContact CB-O 3.31Å; Q403-D505 PolarHBondContact OE1-O 3.3Å; Q403-D505 VanDerWaalsContact OE1-O 3.08Å; Q403-S507 PolarHBondContact NE2-O 3.22Å
404	E	96.8	Very high	93.1	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.019	29%	0.294	C	S	.	.	H	α-helix	trans	-57.3	-55.6	179	-174.9	82.5	-137.1	0	0	110.9	K392 F394 R400 S406 C407 L408 V432 F504 D505	K392-E404 IonicContact NZ-OE2 2.75Å; K392-E404 PolarHBondContact NZ-OE2 2.82Å; F394-E404 HydrophobicContact CE2-CB 4.22Å; F394-E404 HydrophobicContact CE2-CG 3.95Å; F394-E404 HydrophobicContact CZ-CB 3.89Å; F394-E404 HydrophobicContact CZ-CG 3.83Å; R400-E404 WeakPolarHBondContact O-CB 3.39Å; R400-E404 PolarHBondContact O-N 2.79Å; E404-S406 PolarHBondContact O-N 3.37Å; E404-C407 PolarHBondContact O-N 2.94Å; E404-L408 HydrophobicContact CG-CD1 3.88Å; E404-L408 WeakPolarHBondContact O-CB 3.38Å; E404-L408 VanDerWaalsContact O-CG 3.32Å; E404-L408 WeakPolarHBondContact O-CG 3.44Å; E404-L408 PolarHBondContact O-N 3.43Å; E404-V432 HydrophobicContact CG-CG1 4.33Å; E404-F504 PolarHBondContact OE1-N 3.4Å; E404-F504 VanDerWaalsContact OE1-N 3.15Å; E404-F504 PolarHBondContact OE2-N 3.02Å; E404-F504 VanDerWaalsContact OE2-N 3.13Å; E404-D505 HydrophobicContact CB-CB 4.16Å; E404-D505 WeakPolarHBondContact OE2-CB 3.45Å; E404-D505 PolarHBondContact OE2-N 2.92Å
405	V	96.2	Very high	92.7	Very high	21 Å²	21	60.3 Å²	60.3	13%	0.127	32%	0.321	C	S	.	.	H	α-helix	trans	-64.7	-41.7	-178	172.6	0	0	0	0	111.7	A401 C407 L408 Q409 L430 V432	A401-V405 WeakPolarHBondContact O-CG2 3.37Å; A401-V405 PolarHBondContact O-N 2.93Å; A401-V405 VanDerWaalsContact O-N 3.11Å; V405-C407 VanDerWaalsContact C-N 3.33Å; V405-C407 PolarHBondContact O-N 3.03Å; V405-L408 PolarHBondContact O-N 3.1Å; V405-Q409 HydrophobicContact CG1-CG 4.06Å; V405-Q409 VanDerWaalsContact O-CB 3.31Å; V405-Q409 WeakPolarHBondContact O-CB 3.26Å; V405-Q409 WeakPolarHBondContact O-CG 3.5Å; V405-Q409 PolarHBondContact O-N 3.39Å; V405-L430 HydrophobicContact CG2-CD2 3.76Å; V405-V432 HydrophobicContact CG2-CG2 3.75Å
406	S	96	Very high	92.6	Very high	48 Å²	48	58.6 Å²	58.6	34%	0.336	31%	0.306	S	S	.	.	H	α-helix	trans	-63.7	-39.4	-179.5	-177.2	0	0	0	0	112.1	R402 Q403 E404 S410 Y481	R402-S406 WeakPolarHBondContact O-CB 3.2Å; R402-S406 PolarHBondContact O-N 3.28Å; Q403-S406 PolarHBondContact O-N 3.03Å; E404-S406 PolarHBondContact O-N 3.37Å; S406-S410 PolarHBondContact O-N 2.96Å; S406-S410 PolarHBondContact O-OG 3.07Å; S406-Y481 PolarHBondContact O-OH 3.02Å; S406-Y481 PolarHBondContact OG-OH 3.29Å
407	C	96.4	Very high	92.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-67	-53.8	176.3	-172.7	0	0	0	0	110.6	Q403 E404 V405 Q409 S410 S411 Y481 F504	Q403-C407 WeakPolarHBondContact O-CB 3.33Å; Q403-C407 PolarHBondContact O-N 3.35Å; E404-C407 PolarHBondContact O-N 2.94Å; V405-C407 VanDerWaalsContact C-N 3.33Å; V405-C407 PolarHBondContact O-N 3.03Å; C407-Q409 VanDerWaalsContact C-N 3.31Å; C407-Q409 PolarHBondContact O-N 3.42Å; C407-S410 WeakPolarHBondContact O-CA 3.16Å; C407-S410 WeakPolarHBondContact O-CB 3.09Å; C407-S410 PolarHBondContact O-N 2.89Å; C407-S411 WeakPolarHBondContact O-CB 3.19Å; C407-S411 PolarHBondContact O-N 3.33Å; C407-S411 VanDerWaalsContact O-N 3.17Å; C407-S411 PolarHBondContact O-OG 3.16Å; C407-Y481 HydrophobicContact CB-CD1 4.03Å; C407-Y481 HydrophobicContact CB-CE1 4.11Å; C407-Y481 HydrophobicContact CB-CG 4.42Å; C407-F504 HydrophobicContact CB-CB 3.77Å; C407-F504 HydrophobicContact CB-CG 4.31Å
408	L	96.4	Very high	93	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.1	-36.6	-179.3	-74.6	175.1	0	0	0	113.6	E404 V405 S410 S411 V418 F420 V432 V434 F504	E404-L408 HydrophobicContact CG-CD1 3.88Å; E404-L408 WeakPolarHBondContact O-CB 3.38Å; E404-L408 VanDerWaalsContact O-CG 3.32Å; E404-L408 WeakPolarHBondContact O-CG 3.44Å; E404-L408 PolarHBondContact O-N 3.43Å; V405-L408 PolarHBondContact O-N 3.1Å; L408-S410 VanDerWaalsContact C-N 3.29Å; L408-S410 PolarHBondContact O-N 3.32Å; L408-S411 WeakPolarHBondContact CA-OG 3.35Å; L408-S411 PolarHBondContact O-N 3.41Å; L408-S411 PolarHBondContact O-OG 3.3Å; L408-V418 HydrophobicContact CD2-CG2 4.33Å; L408-F420 HydrophobicContact CB-CB 3.93Å; L408-F420 HydrophobicContact CB-CD1 4.21Å; L408-F420 HydrophobicContact CB-CD2 4.07Å; L408-F420 HydrophobicContact CB-CG 3.81Å; L408-F420 HydrophobicContact CD1-CD2 3.88Å; L408-F420 HydrophobicContact CD1-CE2 4.41Å; L408-F420 HydrophobicContact CD1-CG 4.4Å; L408-F420 HydrophobicContact CD2-CB 4.26Å; L408-V432 HydrophobicContact CD1-CG1 3.59Å; L408-V434 HydrophobicContact CD1-CG1 3.9Å; L408-V434 HydrophobicContact CD2-CG1 4.44Å; L408-F504 HydrophobicContact CD2-CD2 3.46Å; L408-F504 VanDerWaalsContact CD2-CD2 3.46Å; L408-F504 HydrophobicContact CD2-CE2 3.51Å; L408-F504 HydrophobicContact CG-CD2 3.88Å; L408-F504 HydrophobicContact CG-CE2 4.42Å
409	Q	94.8	Very high	93	Very high	105 Å²	105	54.4 Å²	54.4	49%	0.491	27%	0.273	S	S	.	.	H	α-helix	trans	-66.5	-32.9	175	-76.8	177	-8.4	0	0	112.5	V405 C407 S411 F420	V405-Q409 HydrophobicContact CG1-CG 4.06Å; V405-Q409 VanDerWaalsContact O-CB 3.31Å; V405-Q409 WeakPolarHBondContact O-CB 3.26Å; V405-Q409 WeakPolarHBondContact O-CG 3.5Å; V405-Q409 PolarHBondContact O-N 3.39Å; C407-Q409 VanDerWaalsContact C-N 3.31Å; C407-Q409 PolarHBondContact O-N 3.42Å; Q409-S411 VanDerWaalsContact C-N 3.32Å; Q409-F420 HydrophobicContact CG-CD1 4.36Å; Q409-F420 HydrophobicContact CG-CE1 3.77Å
410	S	91.4	Very high	93.1	Very high	59 Å²	59	51.3 Å²	51.3	41%	0.413	25%	0.252	S	S	.	.	H	α-helix	trans	-83.8	-9	-179	-53.7	0	0	0	0	112.9	S406 C407 L408	S406-S410 PolarHBondContact O-N 2.96Å; S406-S410 PolarHBondContact O-OG 3.07Å; C407-S410 WeakPolarHBondContact O-CA 3.16Å; C407-S410 WeakPolarHBondContact O-CB 3.09Å; C407-S410 PolarHBondContact O-N 2.89Å; L408-S410 VanDerWaalsContact C-N 3.29Å; L408-S410 PolarHBondContact O-N 3.32Å
411	S	89.4	Confident	93.1	Very high	5 Å²	5	51.8 Å²	51.8	4%	0.035	25%	0.254	C	S	.	.			trans	-121.4	16.2	-169.6	72.4	0	0	0	0	115	C407 L408 Q409 E413 N414 L417 C479	C407-S411 WeakPolarHBondContact O-CB 3.19Å; C407-S411 PolarHBondContact O-N 3.33Å; C407-S411 VanDerWaalsContact O-N 3.17Å; C407-S411 PolarHBondContact O-OG 3.16Å; L408-S411 WeakPolarHBondContact CA-OG 3.35Å; L408-S411 PolarHBondContact O-N 3.41Å; L408-S411 PolarHBondContact O-OG 3.3Å; Q409-S411 VanDerWaalsContact C-N 3.32Å; S411-E413 PolarHBondContact O-N 3.46Å; S411-E413 VanDerWaalsContact O-N 3.11Å; S411-N414 WeakPolarHBondContact O-CB 3.36Å; S411-N414 PolarHBondContact O-N 2.81Å; S411-N414 VanDerWaalsContact O-N 3.07Å; S411-L417 VanDerWaalsContact CB-CD1 3.45Å; S411-C479 WeakPolarHBondContact CB-SG 3.48Å
412	R	87.4	Confident	93.2	Very high	141 Å²	141	52 Å²	52	53%	0.532	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-29.8	-175.9	-69.6	-177.7	177.8	-127.5	-1.5	115.4
413	E	81	Confident	93.3	Very high	184 Å²	184	46 Å²	46	86%	0.86	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-5.6	-176.8	-59	-60.1	146.2	0	0	113.2	S411 S415	S411-E413 PolarHBondContact O-N 3.46Å; S411-E413 VanDerWaalsContact O-N 3.11Å; E413-S415 PolarHBondContact O-N 3.28Å
414	N	83	Confident	93.4	Very high	9 Å²	9	44.7 Å²	44.7	5%	0.048	23%	0.234	C	C	.	.			trans	-84.8	111.9	-176.5	-174.2	-32.3	0	0	0	110.8	S411 H416 L417 E474	S411-N414 WeakPolarHBondContact O-CB 3.36Å; S411-N414 PolarHBondContact O-N 2.81Å; S411-N414 VanDerWaalsContact O-N 3.07Å; N414-H416 PolarHBondContact O-N 3.26Å; N414-H416 WeakPolarHBondContact OD1-CA 3.43Å; N414-H416 WeakPolarHBondContact OD1-CB 3.09Å; N414-H416 PolarHBondContact OD1-N 2.97Å; N414-L417 HydrophobicContact CB-CB 4.48Å; N414-L417 HydrophobicContact CB-CD1 3.91Å; N414-L417 HydrophobicContact CB-CG 3.91Å; N414-L417 VanDerWaalsContact CG-CG 3.47Å; N414-L417 WeakPolarHBondContact ND2-CG 3.44Å; N414-L417 PolarHBondContact O-N 3.32Å; N414-L417 PolarHBondContact OD1-N 3.29Å; N414-E474 WeakPolarHBondContact CB-OE2 3.43Å; N414-E474 WeakPolarHBondContact ND2-CB 3.01Å; N414-E474 PolarHBondContact ND2-OE2 3.4Å; N414-E474 PolarHBondContact OD1-OE2 2.93Å
415	S	87.4	Confident	93.4	Very high	84 Å²	84	47.4 Å²	47.4	59%	0.587	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-7.8	-178.3	57.6	0	0	0	0	114.8	E413	E413-S415 PolarHBondContact O-N 3.28Å
416	H	93.9	Very high	93.3	Very high	33 Å²	33	50.1 Å²	50.1	15%	0.153	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	1.2	-178.6	-59.8	-61.3	0	0	0	113.2	N414 K470 A471 E474 H500 L501	N414-H416 PolarHBondContact O-N 3.26Å; N414-H416 WeakPolarHBondContact OD1-CA 3.43Å; N414-H416 WeakPolarHBondContact OD1-CB 3.09Å; N414-H416 PolarHBondContact OD1-N 2.97Å; H416-K470 VanDerWaalsContact CD2-CB 3.44Å; H416-K470 WeakPolarHBondContact CD2-CB 3.44Å; H416-K470 VanDerWaalsContact NE2-CD 3.35Å; H416-K470 WeakPolarHBondContact NE2-CD 3.48Å; H416-A471 HydrophobicContact CB-CB 3.71Å; H416-E474 IonicContact CD2-OE1 3.15Å; H416-H500 WeakPolarHBondContact O-CA 3.39Å; H416-L501 PolarHBondContact O-N 3.5Å
417	L	95.7	Very high	93.2	Very high	1 Å²	1	58 Å²	58	1%	0.005	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-103.3	159.6	167.6	-52.4	-179.9	0	0	0	109.7	S411 N414 T419 A471 L475 L501 F504	S411-L417 VanDerWaalsContact CB-CD1 3.45Å; N414-L417 HydrophobicContact CB-CB 4.48Å; N414-L417 HydrophobicContact CB-CD1 3.91Å; N414-L417 HydrophobicContact CB-CG 3.91Å; N414-L417 VanDerWaalsContact CG-CG 3.47Å; N414-L417 WeakPolarHBondContact ND2-CG 3.44Å; N414-L417 PolarHBondContact O-N 3.32Å; N414-L417 PolarHBondContact OD1-N 3.29Å; L417-T419 PolarHBondContact O-N 3.33Å; L417-A471 HydrophobicContact CD2-CB 3.98Å; L417-L475 HydrophobicContact CD1-CD1 4.17Å; L417-L501 WeakPolarHBondContact CA-O 3.31Å; L417-L501 HydrophobicContact CD2-CB 3.66Å; L417-L501 HydrophobicContact CD2-CD2 3.9Å; L417-L501 HydrophobicContact CD2-CG 4.14Å; L417-F504 HydrophobicContact CB-CZ 4.07Å; L417-F504 HydrophobicContact CD1-CE1 4.39Å; L417-F504 HydrophobicContact CD1-CZ 4.08Å; L417-F504 HydrophobicContact CD2-CE1 4.18Å; L417-F504 HydrophobicContact CD2-CZ 3.92Å; L417-F504 HydrophobicContact CG-CZ 4.21Å
418	V	96.1	Very high	93	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.024	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-58.2	126.4	169	-69.1	0	0	0	0	110.6	L408 F420 V434 L492 H500 L501 A502 F504	L408-V418 HydrophobicContact CD2-CG2 4.33Å; V418-F420 PolarHBondContact O-N 3.11Å; V418-V434 HydrophobicContact CB-CB 4.33Å; V418-V434 HydrophobicContact CG2-CB 4.24Å; V418-V434 HydrophobicContact CG2-CG1 4.32Å; V418-L492 HydrophobicContact CG1-CD1 3.92Å; V418-H500 HydrophobicContact CG1-CB 3.88Å; V418-L501 PolarHBondContact N-O 3.35Å; V418-A502 HydrophobicContact CB-CB 4.44Å; V418-A502 HydrophobicContact CG1-CB 3.66Å; V418-A502 HydrophobicContact CG2-CB 3.86Å; V418-F504 HydrophobicContact CG2-CE2 3.84Å
419	T	95.1	Very high	93	Very high	67 Å²	67	64.4 Å²	64.4	41%	0.411	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-66.9	130.2	179.7	-50.1	0	0	0	0	110.5	L417 V434 T435	L417-T419 PolarHBondContact O-N 3.33Å; T419-V434 CarbonylContact O-C 3.57Å; T419-V434 VanDerWaalsContact O-CA 3.29Å; T419-V434 WeakPolarHBondContact O-CA 3.44Å; T419-T435 VanDerWaalsContact CB-OG1 3.27Å; T419-T435 WeakPolarHBondContact CB-OG1 3.35Å; T419-T435 PolarHBondContact N-OG1 2.98Å; T419-T435 PolarHBondContact O-N 3.24Å; T419-T435 PolarHBondContact O-OG1 3.07Å
420	F	97.1	Very high	93.2	Very high	11 Å²	11	60 Å²	60	5%	0.048	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	111.5	174.5	179.2	-127.9	0	0	0	111.1	L408 Q409 V418 G422 V432 V434	L408-F420 HydrophobicContact CB-CB 3.93Å; L408-F420 HydrophobicContact CB-CD1 4.21Å; L408-F420 HydrophobicContact CB-CD2 4.07Å; L408-F420 HydrophobicContact CB-CG 3.81Å; L408-F420 HydrophobicContact CD1-CD2 3.88Å; L408-F420 HydrophobicContact CD1-CE2 4.41Å; L408-F420 HydrophobicContact CD1-CG 4.4Å; L408-F420 HydrophobicContact CD2-CB 4.26Å; Q409-F420 HydrophobicContact CG-CD1 4.36Å; Q409-F420 HydrophobicContact CG-CE1 3.77Å; V418-F420 PolarHBondContact O-N 3.11Å; F420-G422 WeakPolarHBondContact CE2-O 3.16Å; F420-G422 VanDerWaalsContact CZ-C 3.49Å; F420-V432 HydrophobicContact CD2-CG1 4.22Å; F420-V432 HydrophobicContact CE2-CG1 3.9Å; F420-V434 HydrophobicContact CD2-CG1 4.48Å
421	Y	96.3	Very high	93.5	Very high	86 Å²	86	57.7 Å²	57.7	34%	0.337	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-40	177.8	-76.7	-96.1	0	0	0	111.6	Q387 V389 C433	Q387-Y421 HydrophobicContact CB-CE1 4.07Å; Q387-Y421 HydrophobicContact CG-CE1 4.26Å; V389-Y421 HydrophobicContact CG1-CD1 4.34Å; V389-Y421 HydrophobicContact CG1-CD2 3.82Å; V389-Y421 HydrophobicContact CG1-CE2 4.14Å; V389-Y421 HydrophobicContact CG1-CG 3.93Å; Y421-C433 PolarHBondContact N-O 3.09Å
422	G	96.9	Very high	93.9	Very high	6 Å²	6	57.4 Å²	57.4	6%	0.062	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.3	-175.1	-177.4	0	0	0	0	0	111.6	F420 C433	F420-G422 WeakPolarHBondContact CE2-O 3.16Å; F420-G422 VanDerWaalsContact CZ-C 3.49Å; G422-C433 WeakPolarHBondContact O-CB 3.37Å; G422-C433 PolarHBondContact O-N 2.82Å
423	S	97.3	Very high	94.4	Very high	37 Å²	37	50.7 Å²	50.7	26%	0.259	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	153	176.6	59.6	0	0	0	0	111	F431	S423-F431 CarbonylContact C-O 3.58Å; S423-F431 WeakPolarHBondContact CA-O 3.42Å; S423-F431 WeakPolarHBondContact CB-O 3.38Å
424	E	98	Very high	95.2	Very high	34 Å²	34	42.8 Å²	42.8	16%	0.159	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	139.4	176.4	-62.9	-70.1	174.4	0	0	110.3	I358 K360 L361 Y384 F431	I358-E424 HydrophobicContact CG2-CB 3.92Å; I358-E424 WeakPolarHBondContact O-CG 3.47Å; K360-E424 WeakPolarHBondContact CB-OE1 3.31Å; K360-E424 PolarHBondContact N-OE1 3.46Å; L361-E424 HydrophobicContact CB-CG 3.89Å; Y384-E424 HydrophobicContact CE2-CG 3.89Å; E424-F431 HydrophobicContact CB-CD2 4.42Å; E424-F431 PolarHBondContact N-O 2.63Å; E424-F431 WeakPolarHBondContact O-CD2 3.39Å; E424-F431 PolarHBondContact O-N 3.38Å
425	S	95.5	Very high	95.8	Very high	60 Å²	60	43.5 Å²	43.5	42%	0.42	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.4	176.3	-69.9	0	0	0	0	110.4	E396 H429	E396-S425 WeakPolarHBondContact OE1-CB 3.02Å; E396-S425 PolarHBondContact OE1-OG 3.38Å; S425-H429 WeakPolarHBondContact CA-O 3.18Å
426	H	94.3	Very high	96.3	Very high	78 Å²	78	40.1 Å²	40.1	36%	0.361	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	121.9	174.8	-164.5	69.1	0	0	0	111.7	I358 G428 H429 F431	I358-H426 HydrophobicContact CD1-CB 4.48Å; I358-H426 HydrophobicContact CG2-CB 3.75Å; H426-G428 VanDerWaalsContact C-N 3.29Å; H426-G428 PolarHBondContact O-N 3.08Å; H426-H429 PolarHBondContact N-O 3.45Å; H426-H429 WeakPolarHBondContact O-CB 3.32Å; H426-H429 PolarHBondContact O-N 3.04Å; H426-F431 HydrophobicContact CB-CE2 3.75Å
427	R	93.1	Very high	96.5	Very high	214 Å²	214	39 Å²	39	81%	0.808	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	46	173.1	-60.1	177.8	-179.6	-160.8	-3.4	112.9	H429	R427-H429 VanDerWaalsContact C-N 3.28Å; R427-H429 PolarHBondContact O-N 2.95Å; R427-H429 PolarHBondContact O-ND1 3.08Å
428	G	93.1	Very high	96.5	Very high	40 Å²	40	40.1 Å²	40.1	41%	0.412	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	7.3	178.9	0	0	0	0	0	115.5	E396 H426	E396-G428 WeakPolarHBondContact CB-O 3.37Å; E396-G428 PolarHBondContact N-O 2.95Å; H426-G428 VanDerWaalsContact C-N 3.29Å; H426-G428 PolarHBondContact O-N 3.08Å
429	H	96.5	Very high	96.5	Very high	94 Å²	94	43.2 Å²	43.2	44%	0.435	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	141.2	172.1	-55.9	80.4	0	0	0	109.5	F394 S425 H426 R427 F431	F394-H429 WeakPolarHBondContact O-CA 3.37Å; S425-H429 WeakPolarHBondContact CA-O 3.18Å; H426-H429 PolarHBondContact N-O 3.45Å; H426-H429 WeakPolarHBondContact O-CB 3.32Å; H426-H429 PolarHBondContact O-N 3.04Å; R427-H429 VanDerWaalsContact C-N 3.28Å; R427-H429 PolarHBondContact O-N 2.95Å; R427-H429 PolarHBondContact O-ND1 3.08Å; H429-F431 HydrophobicContact CB-CE1 3.94Å; H429-F431 HydrophobicContact CB-CE2 4.49Å; H429-F431 HydrophobicContact CB-CZ 3.75Å
430	L	97.8	Very high	96.6	Very high	14 Å²	14	41.8 Å²	41.8	7%	0.073	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.9	174.5	177.8	71.9	0	0	0	109.2	T393 F394 E396 A401 V405 V432	T393-L430 CarbonylContact C-O 3.59Å; T393-L430 WeakPolarHBondContact CA-O 3.48Å; F394-L430 HydrophobicContact CB-CB 4.36Å; F394-L430 PolarHBondContact N-O 3.29Å; F394-L430 PolarHBondContact O-N 3Å; E396-L430 HydrophobicContact CB-CB 4.22Å; E396-L430 HydrophobicContact CG-CB 4.49Å; A401-L430 HydrophobicContact CB-CD2 3.78Å; V405-L430 HydrophobicContact CG2-CD2 3.76Å; L430-V432 HydrophobicContact CD2-CG2 3.96Å; L430-V432 HydrophobicContact CG-CG2 4.05Å
431	F	98.1	Very high	96.6	Very high	9 Å²	9	41.3 Å²	41.3	4%	0.039	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	110.7	176.6	-50.1	-58.6	0	0	0	108.9	I358 L361 F363 I365 V391 T393 S423 E424 H426 H429	I358-F431 HydrophobicContact CD1-CD2 4.48Å; I358-F431 HydrophobicContact CD1-CE2 3.88Å; I358-F431 HydrophobicContact CG2-CD2 4.25Å; I358-F431 HydrophobicContact CG2-CE2 4.25Å; L361-F431 HydrophobicContact CD2-CB 3.63Å; L361-F431 HydrophobicContact CD2-CD2 4.28Å; L361-F431 HydrophobicContact CD2-CG 4.11Å; F363-F431 HydrophobicContact CE1-CD1 4.3Å; F363-F431 HydrophobicContact CE1-CD2 4.28Å; F363-F431 HydrophobicContact CE1-CE1 4.33Å; F363-F431 HydrophobicContact CE1-CE2 4.28Å; F363-F431 HydrophobicContact CE1-CG 4.27Å; F363-F431 HydrophobicContact CE1-CZ 4.31Å; F363-F431 HydrophobicContact CE2-CD1 4.35Å; F363-F431 HydrophobicContact CE2-CE1 4.47Å; F363-F431 AromaticContact CZ-CD1 3.63Å; F363-F431 HydrophobicContact CZ-CD1 3.63Å; F363-F431 HydrophobicContact CZ-CD2 4.39Å; F363-F431 AromaticContact CZ-CE1 3.58Å; F363-F431 HydrophobicContact CZ-CE1 3.58Å; F363-F431 HydrophobicContact CZ-CE2 4.32Å; F363-F431 HydrophobicContact CZ-CG 4.05Å; F363-F431 AromaticContact CZ-CZ 3.94Å; F363-F431 HydrophobicContact CZ-CZ 3.94Å; I365-F431 HydrophobicContact CD1-CE1 4.34Å; V391-F431 HydrophobicContact CG1-CB 3.88Å; T393-F431 HydrophobicContact CG2-CD1 3.95Å; T393-F431 HydrophobicContact CG2-CE1 4.2Å; S423-F431 CarbonylContact C-O 3.58Å; S423-F431 WeakPolarHBondContact CA-O 3.42Å; S423-F431 WeakPolarHBondContact CB-O 3.38Å; E424-F431 HydrophobicContact CB-CD2 4.42Å; E424-F431 PolarHBondContact N-O 2.63Å; E424-F431 WeakPolarHBondContact O-CD2 3.39Å; E424-F431 PolarHBondContact O-N 3.38Å; H426-F431 HydrophobicContact CB-CE2 3.75Å; H429-F431 HydrophobicContact CB-CE1 3.94Å; H429-F431 HydrophobicContact CB-CE2 4.49Å; H429-F431 HydrophobicContact CB-CZ 3.75Å
432	V	98.3	Very high	96.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	120.1	-179.8	-179.6	0	0	0	0	108.4	V391 K392 F394 E404 V405 L408 F420 L430 V434	V391-V432 WeakPolarHBondContact CA-O 3.46Å; K392-V432 PolarHBondContact N-O 3.16Å; K392-V432 PolarHBondContact O-N 3.13Å; F394-V432 HydrophobicContact CD2-CG2 3.89Å; F394-V432 HydrophobicContact CE2-CB 4.31Å; F394-V432 HydrophobicContact CE2-CG2 3.82Å; E404-V432 HydrophobicContact CG-CG1 4.33Å; V405-V432 HydrophobicContact CG2-CG2 3.75Å; L408-V432 HydrophobicContact CD1-CG1 3.59Å; F420-V432 HydrophobicContact CD2-CG1 4.22Å; F420-V432 HydrophobicContact CE2-CG1 3.9Å; L430-V432 HydrophobicContact CD2-CG2 3.96Å; L430-V432 HydrophobicContact CG-CG2 4.05Å; V432-V434 HydrophobicContact CG1-CG1 4.22Å
433	C	98.4	Very high	96.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.3	-177.3	-59	0	0	0	0	110.5	Y384 V389 Y421 G422	Y384-C433 HydrophobicContact CD2-CB 4.06Å; Y384-C433 VanDerWaalsContact CD2-SG 3.6Å; Y384-C433 HydrophobicContact CG-CB 4.13Å; V389-C433 HydrophobicContact CB-CB 4.4Å; V389-C433 HydrophobicContact CG2-CB 4.23Å; Y421-C433 PolarHBondContact N-O 3.09Å; G422-C433 WeakPolarHBondContact O-CB 3.37Å; G422-C433 PolarHBondContact O-N 2.82Å
434	V	97.7	Very high	96.1	Very high	18 Å²	18	39.6 Å²	39.6	11%	0.109	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	169.8	179.1	-61.5	0	0	0	0	111	V389 A390 L408 V418 T419 F420 V432 L436	V389-V434 WeakPolarHBondContact CA-O 3.25Å; V389-V434 WeakPolarHBondContact CB-O 3.28Å; A390-V434 HydrophobicContact CB-CG2 4.13Å; A390-V434 PolarHBondContact N-O 3.29Å; A390-V434 PolarHBondContact O-N 3.26Å; L408-V434 HydrophobicContact CD1-CG1 3.9Å; L408-V434 HydrophobicContact CD2-CG1 4.44Å; V418-V434 HydrophobicContact CB-CB 4.33Å; V418-V434 HydrophobicContact CG2-CB 4.24Å; V418-V434 HydrophobicContact CG2-CG1 4.32Å; T419-V434 CarbonylContact O-C 3.57Å; T419-V434 VanDerWaalsContact O-CA 3.29Å; T419-V434 WeakPolarHBondContact O-CA 3.44Å; F420-V434 HydrophobicContact CD2-CG1 4.48Å; V432-V434 HydrophobicContact CG1-CG1 4.22Å; V434-L436 PolarHBondContact O-N 3.04Å
435	T	96.2	Very high	95.7	Very high	23 Å²	23	38.1 Å²	38.1	14%	0.141	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.3	130.3	176.3	-60.6	0	0	0	0	111.8	T419	T419-T435 VanDerWaalsContact CB-OG1 3.27Å; T419-T435 WeakPolarHBondContact CB-OG1 3.35Å; T419-T435 PolarHBondContact N-OG1 2.98Å; T419-T435 PolarHBondContact O-N 3.24Å; T419-T435 PolarHBondContact O-OG1 3.07Å
436	L	97.8	Very high	95.3	Very high	13 Å²	13	41.5 Å²	41.5	7%	0.068	21%	0.208	C	C	.	.			trans	-76.8	122.2	171.7	-177.2	62.1	0	0	0	109.7	W343 L347 I371 L381 E388 A390 V434	W343-L436 HydrophobicContact CB-CD2 4.22Å; W343-L436 HydrophobicContact CG-CD1 4.39Å; W343-L436 HydrophobicContact CG-CD2 4.28Å; L347-L436 HydrophobicContact CD1-CD2 3.79Å; I371-L436 HydrophobicContact CD1-CD1 3.58Å; L381-L436 HydrophobicContact CD2-CD1 3.68Å; L381-L436 HydrophobicContact CD2-CD2 3.77Å; L381-L436 HydrophobicContact CD2-CG 4.41Å; E388-L436 HydrophobicContact CB-CD2 4.28Å; E388-L436 HydrophobicContact CG-CD2 4.44Å; A390-L436 HydrophobicContact CB-CD1 4.06Å; V434-L436 PolarHBondContact O-N 3.04Å
437	C	97.4	Very high	94.7	Very high	11 Å²	11	42.1 Å²	42.1	7%	0.074	22%	0.218	C	C	.	.			trans	-108.6	161.9	175.9	-63.9	0	0	0	0	110.9	W343 L492	W343-C437 PolarHBondContact NE1-O 3.49Å; C437-L492 HydrophobicContact CB-CB 3.68Å; C437-L492 HydrophobicContact CB-CD1 4.12Å; C437-L492 HydrophobicContact CB-CG 4.47Å
438	E	96.3	Very high	93.8	Very high	23 Å²	23	34.8 Å²	34.8	11%	0.107	19%	0.192	C	C	.	.	S	Bend	trans	-79.4	-40	-175	-63.4	-64.5	126.4	0	0	112	S340 S341 H342 I493	S340-E438 WeakPolarHBondContact CA-OE1 3.21Å; S340-E438 WeakPolarHBondContact CB-OE1 3.38Å; S340-E438 PolarHBondContact OG-OE1 3.15Å; S340-E438 PolarHBondContact OG-OE2 3.11Å; S341-E438 PolarHBondContact N-OE1 2.86Å; S341-E438 PolarHBondContact N-OE2 3.12Å; H342-E438 WeakPolarHBondContact CB-OE2 3.3Å; H342-E438 PolarHBondContact N-OE2 3.21Å; H342-E438 PolarHBondContact ND1-O 3.26Å; E438-I493 PolarHBondContact N-O 3.47Å
439	Q	95.8	Very high	92.8	Very high	69 Å²	69	38.5 Å²	38.5	32%	0.322	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	168.8	-174.8	60.2	-171.1	-12	0	0	112.2	A443 C444 I493	Q439-A443 HydrophobicContact CB-CB 4.28Å; Q439-C444 HydrophobicContact CG-CB 4.29Å; Q439-I493 HydrophobicContact CG-CB 4.41Å; Q439-I493 PolarHBondContact N-O 2.91Å; Q439-I493 PolarHBondContact O-N 3.36Å
440	T	97.3	Very high	91	Very high	38 Å²	38	37.2 Å²	37.2	23%	0.233	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	163.8	170	63.8	0	0	0	0	111.1	E442 A443 C444 Q489 I491 L492	T440-E442 VanDerWaalsContact C-N 3.26Å; T440-E442 PolarHBondContact O-N 3.46Å; T440-A443 PolarHBondContact O-N 3.47Å; T440-A443 PolarHBondContact OG1-N 3.26Å; T440-C444 WeakPolarHBondContact O-CB 3.19Å; T440-C444 PolarHBondContact O-N 3.19Å; T440-Q489 WeakPolarHBondContact CG2-O 3.46Å; T440-I491 CarbonylContact C-O 3.59Å; T440-I491 WeakPolarHBondContact CA-O 3.44Å; T440-L492 HydrophobicContact CG2-CD2 3.97Å
441	L	96.2	Very high	89.3	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-37.5	173.8	177.7	61.8	0	0	0	112	C444 L445 F460 V464 P488 I491 I493 V531	L441-C444 PolarHBondContact O-N 2.81Å; L441-L445 HydrophobicContact CD1-CD1 4.01Å; L441-L445 HydrophobicContact CD1-CG 4.05Å; L441-L445 HydrophobicContact CG-CD1 3.99Å; L441-L445 HydrophobicContact CG-CG 4.42Å; L441-L445 WeakPolarHBondContact O-CB 3.21Å; L441-L445 WeakPolarHBondContact O-CG 3.42Å; L441-L445 PolarHBondContact O-N 3.24Å; L441-F460 HydrophobicContact CD1-CE1 4.32Å; L441-F460 HydrophobicContact CD1-CZ 4.25Å; L441-V464 HydrophobicContact CD1-CG1 3.87Å; L441-V464 HydrophobicContact CD1-CG2 4.46Å; L441-V464 HydrophobicContact CD2-CG1 4.16Å; L441-P488 WeakPolarHBondContact CB-O 3.28Å; L441-P488 PolarHBondContact N-O 3.04Å; L441-I491 HydrophobicContact CB-CB 3.88Å; L441-I491 HydrophobicContact CB-CG2 3.97Å; L441-I491 HydrophobicContact CD2-CB 4.12Å; L441-I491 HydrophobicContact CD2-CD1 3.68Å; L441-I491 HydrophobicContact CD2-CG2 4.02Å; L441-I491 PolarHBondContact N-O 3.46Å; L441-I493 HydrophobicContact CD1-CD1 4.26Å; L441-V531 HydrophobicContact CD2-CG2 3.78Å
442	E	94.4	Very high	86.9	Confident	56 Å²	56	48.8 Å²	48.8	26%	0.262	27%	0.265	S	S	.	.	H	α-helix	trans	-58.3	-54.9	176.1	177.9	166.4	-117.9	0	0	111.7	T440 C444 L445 E446 P488 Q489 Y530	T440-E442 VanDerWaalsContact C-N 3.26Å; T440-E442 PolarHBondContact O-N 3.46Å; E442-C444 VanDerWaalsContact C-N 3.26Å; E442-C444 PolarHBondContact O-N 2.98Å; E442-L445 PolarHBondContact O-N 2.68Å; E442-L445 VanDerWaalsContact O-N 3.15Å; E442-E446 PolarHBondContact O-N 3.43Å; E442-E446 VanDerWaalsContact O-N 3.1Å; E442-P488 HydrophobicContact CB-CB 4Å; E442-Q489 PolarHBondContact OE1-NE2 3.19Å; E442-Q489 VanDerWaalsContact OE1-NE2 3.17Å; E442-Q489 WeakPolarHBondContact OE2-CG 3.37Å; E442-Q489 PolarHBondContact OE2-NE2 2.98Å; E442-Y530 WeakPolarHBondContact CG-OH 2.94Å
443	A	93.3	Very high	84.8	Confident	34 Å²	34	51.7 Å²	51.7	28%	0.281	28%	0.282	S	S	.	.	H	α-helix	trans	-60.9	-36.8	178.6	0	0	0	0	0	112.2	Q439 T440 E446	Q439-A443 HydrophobicContact CB-CB 4.28Å; T440-A443 PolarHBondContact O-N 3.47Å; T440-A443 PolarHBondContact OG1-N 3.26Å; A443-E446 PolarHBondContact O-N 3.09Å
444	C	92	Very high	82.7	Confident	4 Å²	4	59.7 Å²	59.7	3%	0.027	32%	0.32	C	S	.	.	H	α-helix	trans	-64.1	-43.2	176.4	-174.3	0	0	0	0	112.3	Q439 T440 L441 E442 V447 H448 I493	Q439-C444 HydrophobicContact CG-CB 4.29Å; T440-C444 WeakPolarHBondContact O-CB 3.19Å; T440-C444 PolarHBondContact O-N 3.19Å; L441-C444 PolarHBondContact O-N 2.81Å; E442-C444 VanDerWaalsContact C-N 3.26Å; E442-C444 PolarHBondContact O-N 2.98Å; C444-V447 PolarHBondContact O-N 3.42Å; C444-H448 PolarHBondContact O-N 3.38Å; C444-H448 PolarHBondContact O-ND1 3.14Å; C444-H448 PolarHBondContact SG-CE1 3.28Å; C444-I493 HydrophobicContact CB-CD1 3.41Å; C444-I493 VanDerWaalsContact CB-CD1 3.41Å; C444-I493 WeakPolarHBondContact SG-CD1 3.49Å
445	L	89.8	Confident	80.9	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	34%	0.339	C	S	.	.	H	α-helix	trans	-71.1	-27.8	-179.6	-74.1	175.1	0	0	0	113.1	L441 E442 V447 H448 R449 F460 Y530 V531	L441-L445 HydrophobicContact CD1-CD1 4.01Å; L441-L445 HydrophobicContact CD1-CG 4.05Å; L441-L445 HydrophobicContact CG-CD1 3.99Å; L441-L445 HydrophobicContact CG-CG 4.42Å; L441-L445 WeakPolarHBondContact O-CB 3.21Å; L441-L445 WeakPolarHBondContact O-CG 3.42Å; L441-L445 PolarHBondContact O-N 3.24Å; E442-L445 PolarHBondContact O-N 2.68Å; E442-L445 VanDerWaalsContact O-N 3.15Å; L445-V447 VanDerWaalsContact C-N 3.28Å; L445-V447 PolarHBondContact O-N 3.2Å; L445-H448 PolarHBondContact O-N 2.92Å; L445-R449 WeakPolarHBondContact O-CB 3.41Å; L445-R449 PolarHBondContact O-N 2.78Å; L445-F460 HydrophobicContact CD2-CD1 4.21Å; L445-F460 HydrophobicContact CD2-CE1 3.54Å; L445-F460 HydrophobicContact CD2-CZ 4.45Å; L445-F460 HydrophobicContact CG-CE1 4.38Å; L445-Y530 HydrophobicContact CD1-CD1 4.01Å; L445-Y530 HydrophobicContact CD1-CE1 3.58Å; L445-V531 HydrophobicContact CD1-CG2 4.49Å
446	E	86.8	Confident	79.7	Confident	131 Å²	131	69.3 Å²	69.3	61%	0.612	37%	0.365	S	S	*	.	H	α-helix	trans	-59.6	-39.6	172.4	-71.8	-171	157.5	0	0	112	E442 A443	E442-E446 PolarHBondContact O-N 3.43Å; E442-E446 VanDerWaalsContact O-N 3.1Å; A443-E446 PolarHBondContact O-N 3.09Å
447	V	82.6	Confident	79.1	Confident	92 Å²	92	71.2 Å²	71.2	56%	0.558	37%	0.374	S	S	*	.	H	α-helix	trans	-68.6	-47.5	175.2	-178	0	0	0	0	110.8	C444 L445 R449 G450	C444-V447 PolarHBondContact O-N 3.42Å; L445-V447 VanDerWaalsContact C-N 3.28Å; L445-V447 PolarHBondContact O-N 3.2Å; V447-R449 VanDerWaalsContact C-N 3.26Å; V447-R449 PolarHBondContact O-N 3.49Å; V447-G450 PolarHBondContact O-N 3.08Å
448	H	74.1	Confident	78.5	Confident	59 Å²	59	73.2 Å²	73.2	27%	0.273	38%	0.384	S	S	.	.	H	α-helix	trans	-70	-17.5	-177.6	-72.1	81.7	0	0	0	114.2	C444 L445 G450	C444-H448 PolarHBondContact O-N 3.38Å; C444-H448 PolarHBondContact O-ND1 3.14Å; C444-H448 PolarHBondContact SG-CE1 3.28Å; L445-H448 PolarHBondContact O-N 2.92Å; H448-G450 VanDerWaalsContact C-N 3.29Å
449	R	72.2	Confident	78.1	Confident	118 Å²	118	77.7 Å²	77.7	45%	0.445	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-28.5	174.5	-169.2	-176.6	-58.5	176.2	15.8	112.3	L445 V447 E451 K534 G535	L445-R449 WeakPolarHBondContact O-CB 3.41Å; L445-R449 PolarHBondContact O-N 2.78Å; V447-R449 VanDerWaalsContact C-N 3.26Å; V447-R449 PolarHBondContact O-N 3.49Å; R449-E451 VanDerWaalsContact C-N 3.29Å; R449-E451 PolarHBondContact O-N 2.92Å; R449-K534 PolarHBondContact NE-O 2.76Å; R449-K534 PolarHBondContact NH2-O 3.4Å; R449-K534 VanDerWaalsContact NH2-O 3.11Å; R449-G535 PolarHBondContact NH2-O 2.94Å
450	G	59.8	Low	77.7	Confident	67 Å²	67	77.1 Å²	77.1	69%	0.691	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-7.9	-179.3	0	0	0	0	0	114.8	V447 H448	V447-G450 PolarHBondContact O-N 3.08Å; H448-G450 VanDerWaalsContact C-N 3.29Å
451	E	61.5	Low	77.4	Confident	112 Å²	112	75.5 Å²	75.5	52%	0.523	39%	0.391	S	S	.	.	S	Bend	trans	-94.7	103.7	179	-62.6	-176.4	171.2	0	0	109.5	R449 V453	R449-E451 VanDerWaalsContact C-N 3.29Å; R449-E451 PolarHBondContact O-N 2.92Å; E451-V453 HydrophobicContact CB-CG2 4.44Å; E451-V453 PolarHBondContact O-N 3.2Å
452	D	46.9	Very low	77.2	Confident	154 Å²	154	76.7 Å²	76.7	82%	0.824	40%	0.396	S	S	*	.			trans	-62.5	96.7	176.5	-83.2	-34.4	0	0	0	110.8
453	V	55	Low	77.1	Confident	61 Å²	61	77.7 Å²	77.7	37%	0.37	40%	0.403	S	S	.	.			trans	-120.2	59.9	172.8	-159.3	0	0	0	0	109.8	E451 N455 E456	E451-V453 HydrophobicContact CB-CG2 4.44Å; E451-V453 PolarHBondContact O-N 3.2Å; V453-N455 PolarHBondContact O-N 3.42Å; V453-E456 HydrophobicContact CG1-CB 3.5Å; V453-E456 VanDerWaalsContact CG1-CB 3.5Å; V453-E456 HydrophobicContact CG1-CG 3.57Å
454	E	54.6	Low	77.1	Confident	169 Å²	169	76.2 Å²	76.2	79%	0.79	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	6.5	178.4	-69.9	-165.7	150.9	0	0	113.8
455	N	59.5	Low	77.3	Confident	94 Å²	94	76 Å²	76	50%	0.503	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.8	1.4	-168.9	-75.7	-59.4	0	0	0	118.2	V453 R690	V453-N455 PolarHBondContact O-N 3.42Å; N455-R690 VanDerWaalsContact O-CZ 3.25Å; N455-R690 PolarHBondContact O-NH1 3.5Å; N455-R690 VanDerWaalsContact OD1-CZ 3.28Å; N455-R690 PolarHBondContact OD1-NH1 3.34Å; N455-R690 PolarHBondContact OD1-NH2 3.03Å
456	E	71.3	Confident	77.6	Confident	148 Å²	148	77.3 Å²	77.3	69%	0.692	40%	0.399	S	S	*	.	S	Bend	trans	-118.6	162.5	-176.5	-54.1	-171.1	158.2	0	0	112.9	V453	V453-E456 HydrophobicContact CG1-CB 3.5Å; V453-E456 VanDerWaalsContact CG1-CB 3.5Å; V453-E456 HydrophobicContact CG1-CG 3.57Å
457	E	83.6	Confident	78	Confident	53 Å²	53	72.4 Å²	72.4	25%	0.248	38%	0.378	C	S	.	.			trans	-70.8	130.7	176.2	-172	-174.6	150.7	0	0	109.8	E459 R462 T588 W589	E457-E459 VanDerWaalsContact C-N 3.28Å; E457-E459 PolarHBondContact O-N 3.31Å; E457-R462 IonicContact OE1-CZ 2.59Å; E457-R462 IonicContact OE1-NE 3Å; E457-R462 PolarHBondContact OE1-NE 3.2Å; E457-R462 IonicContact OE1-NH2 2.68Å; E457-R462 PolarHBondContact OE1-NH2 2.94Å; E457-T588 WeakPolarHBondContact OE1-CA 3.4Å; E457-W589 HydrophobicContact CB-CD2 3.86Å; E457-W589 HydrophobicContact CB-CE3 4.05Å; E457-W589 HydrophobicContact CB-CG 4.32Å; E457-W589 HydrophobicContact CB-CH2 4.29Å; E457-W589 HydrophobicContact CB-CZ2 4.15Å; E457-W589 HydrophobicContact CB-CZ3 4.25Å; E457-W589 HydrophobicContact CG-CD2 3.95Å; E457-W589 HydrophobicContact CG-CG 3.95Å; E457-W589 HydrophobicContact CG-CZ2 4.47Å; E457-W589 PolarHBondContact OE1-N 3.1Å; E457-W589 VanDerWaalsContact OE2-CB 3.32Å; E457-W589 WeakPolarHBondContact OE2-CB 3.17Å; E457-W589 PolarHBondContact OE2-N 2.93Å
458	D	85.8	Confident	78.6	Confident	54 Å²	54	68.1 Å²	68.1	29%	0.289	35%	0.352	S	S	.	.			trans	-78.3	77	-180	-159.9	-28	0	0	0	111.3	F460 A461 R462 K534	D458-F460 VanDerWaalsContact C-N 3.27Å; D458-F460 PolarHBondContact O-N 3.33Å; D458-F460 PolarHBondContact OD1-N 2.96Å; D458-A461 HydrophobicContact CB-CB 4.09Å; D458-A461 VanDerWaalsContact CG-CB 3.47Å; D458-A461 PolarHBondContact O-N 3.11Å; D458-A461 WeakPolarHBondContact OD1-CB 3.37Å; D458-A461 PolarHBondContact OD1-N 2.93Å; D458-R462 PolarHBondContact O-N 3.26Å; D458-K534 WeakPolarHBondContact OD2-CE 3.32Å
459	E	88.4	Confident	79.7	Confident	117 Å²	117	65.3 Å²	65.3	55%	0.547	34%	0.339	S	S	.	.	H	α-helix	trans	-62.4	-36.3	177.5	177.4	172.1	-176.9	0	0	112	E457 R462 N463	E457-E459 VanDerWaalsContact C-N 3.28Å; E457-E459 PolarHBondContact O-N 3.31Å; E459-R462 PolarHBondContact O-N 3.45Å; E459-N463 WeakPolarHBondContact CG-ND2 3.5Å; E459-N463 WeakPolarHBondContact O-CB 3.28Å; E459-N463 VanDerWaalsContact O-CG 3.26Å; E459-N463 PolarHBondContact O-N 2.77Å; E459-N463 PolarHBondContact O-ND2 3.38Å; E459-N463 PolarHBondContact OE1-ND2 2.89Å
460	F	87.4	Confident	80.8	Confident	57 Å²	57	63.1 Å²	63.1	25%	0.25	33%	0.333	C	S	.	.	H	α-helix	trans	-58.8	-52.3	178	176.8	-95.6	0	0	0	110.8	L441 L445 D458 R462 N463 V464 I493	L441-F460 HydrophobicContact CD1-CE1 4.32Å; L441-F460 HydrophobicContact CD1-CZ 4.25Å; L445-F460 HydrophobicContact CD2-CD1 4.21Å; L445-F460 HydrophobicContact CD2-CE1 3.54Å; L445-F460 HydrophobicContact CD2-CZ 4.45Å; L445-F460 HydrophobicContact CG-CE1 4.38Å; D458-F460 VanDerWaalsContact C-N 3.27Å; D458-F460 PolarHBondContact O-N 3.33Å; D458-F460 PolarHBondContact OD1-N 2.96Å; F460-R462 VanDerWaalsContact C-N 3.31Å; F460-R462 PolarHBondContact O-N 2.94Å; F460-N463 PolarHBondContact O-N 3.4Å; F460-N463 VanDerWaalsContact O-N 3.17Å; F460-V464 HydrophobicContact CD1-CG2 4.09Å; F460-V464 HydrophobicContact CD2-CG2 4.14Å; F460-V464 HydrophobicContact CE1-CG2 3.69Å; F460-V464 HydrophobicContact CE2-CG2 3.77Å; F460-V464 HydrophobicContact CG-CG2 4.3Å; F460-V464 HydrophobicContact CZ-CG2 3.54Å; F460-V464 VanDerWaalsContact O-CG2 3.3Å; F460-V464 WeakPolarHBondContact O-CG2 3.43Å; F460-V464 PolarHBondContact O-N 3.04Å; F460-I493 HydrophobicContact CZ-CD1 4.4Å
461	A	90.9	Very high	82.5	Confident	3 Å²	3	60 Å²	60	3%	0.025	30%	0.301	C	S	.	.	H	α-helix	trans	-56	-44.6	178.6	0	0	0	0	0	112.2	D458 L465 V531	D458-A461 HydrophobicContact CB-CB 4.09Å; D458-A461 VanDerWaalsContact CG-CB 3.47Å; D458-A461 PolarHBondContact O-N 3.11Å; D458-A461 WeakPolarHBondContact OD1-CB 3.37Å; D458-A461 PolarHBondContact OD1-N 2.93Å; A461-L465 VanDerWaalsContact O-CB 3.31Å; A461-L465 WeakPolarHBondContact O-CB 3.5Å; A461-L465 WeakPolarHBondContact O-CD1 3.04Å; A461-L465 VanDerWaalsContact O-CG 3.29Å; A461-L465 WeakPolarHBondContact O-CG 3.29Å; A461-L465 PolarHBondContact O-N 3.14Å; A461-V531 HydrophobicContact CB-CG1 3.71Å
462	R	92.2	Very high	84.2	Confident	26 Å²	26	54.6 Å²	54.6	10%	0.098	28%	0.276	C	S	.	.	H	α-helix	trans	-61.8	-45.6	177.7	-72.1	-165.7	-70.5	83.4	1.6	112.2	E457 D458 E459 F460 S466 F585	E457-R462 IonicContact OE1-CZ 2.59Å; E457-R462 IonicContact OE1-NE 3Å; E457-R462 PolarHBondContact OE1-NE 3.2Å; E457-R462 IonicContact OE1-NH2 2.68Å; E457-R462 PolarHBondContact OE1-NH2 2.94Å; D458-R462 PolarHBondContact O-N 3.26Å; E459-R462 PolarHBondContact O-N 3.45Å; F460-R462 VanDerWaalsContact C-N 3.31Å; F460-R462 PolarHBondContact O-N 2.94Å; R462-S466 WeakPolarHBondContact O-CB 3.28Å; R462-S466 PolarHBondContact O-N 2.97Å; R462-F585 WeakPolarHBondContact CD-O 3.49Å
463	N	91.4	Very high	86.4	Confident	76 Å²	76	49.2 Å²	49.2	41%	0.406	25%	0.246	S	C	.	.	H	α-helix	trans	-70.5	-40.8	-175.6	-69.4	-13.4	0	0	0	111.7	E459 F460 S467	E459-N463 WeakPolarHBondContact CG-ND2 3.5Å; E459-N463 WeakPolarHBondContact O-CB 3.28Å; E459-N463 VanDerWaalsContact O-CG 3.26Å; E459-N463 PolarHBondContact O-N 2.77Å; E459-N463 PolarHBondContact O-ND2 3.38Å; E459-N463 PolarHBondContact OE1-ND2 2.89Å; F460-N463 PolarHBondContact O-N 3.4Å; F460-N463 VanDerWaalsContact O-N 3.17Å; N463-S467 PolarHBondContact O-N 2.73Å; N463-S467 VanDerWaalsContact O-N 3.12Å; N463-S467 PolarHBondContact O-OG 3.14Å
464	V	93.9	Very high	88.2	Confident	3 Å²	3	49 Å²	49	2%	0.018	24%	0.24	C	C	.	.	H	α-helix	trans	-61.4	-53.5	174.8	171.2	0	0	0	0	110.5	L441 F460 S466 S467 L468 V499	L441-V464 HydrophobicContact CD1-CG1 3.87Å; L441-V464 HydrophobicContact CD1-CG2 4.46Å; L441-V464 HydrophobicContact CD2-CG1 4.16Å; F460-V464 HydrophobicContact CD1-CG2 4.09Å; F460-V464 HydrophobicContact CD2-CG2 4.14Å; F460-V464 HydrophobicContact CE1-CG2 3.69Å; F460-V464 HydrophobicContact CE2-CG2 3.77Å; F460-V464 HydrophobicContact CG-CG2 4.3Å; F460-V464 HydrophobicContact CZ-CG2 3.54Å; F460-V464 VanDerWaalsContact O-CG2 3.3Å; F460-V464 WeakPolarHBondContact O-CG2 3.43Å; F460-V464 PolarHBondContact O-N 3.04Å; V464-S466 VanDerWaalsContact C-N 3.34Å; V464-S466 PolarHBondContact O-N 2.78Å; V464-S467 PolarHBondContact O-N 2.75Å; V464-L468 WeakPolarHBondContact O-CB 3.41Å; V464-L468 PolarHBondContact O-N 3.46Å; V464-V499 HydrophobicContact CB-CG2 4.21Å; V464-V499 HydrophobicContact CG1-CG1 4.36Å; V464-V499 HydrophobicContact CG1-CG2 4.22Å; V464-V499 HydrophobicContact CG2-CG2 3.86Å
465	L	96.3	Very high	90.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-67.4	-34.7	-177.4	-69	167.8	0	0	0	111.9	A461 S467 L468 F469 V528 V531 V532 F585 F586	A461-L465 VanDerWaalsContact O-CB 3.31Å; A461-L465 WeakPolarHBondContact O-CB 3.5Å; A461-L465 WeakPolarHBondContact O-CD1 3.04Å; A461-L465 VanDerWaalsContact O-CG 3.29Å; A461-L465 WeakPolarHBondContact O-CG 3.29Å; A461-L465 PolarHBondContact O-N 3.14Å; L465-S467 VanDerWaalsContact C-N 3.35Å; L465-S467 PolarHBondContact O-N 2.52Å; L465-L468 HydrophobicContact CD2-CD2 4.4Å; L465-L468 PolarHBondContact O-N 3.18Å; L465-F469 WeakPolarHBondContact O-CB 3.31Å; L465-F469 WeakPolarHBondContact O-CD2 3.5Å; L465-F469 PolarHBondContact O-N 2.86Å; L465-V528 HydrophobicContact CD1-CB 4.37Å; L465-V528 HydrophobicContact CD1-CG1 4.21Å; L465-V528 HydrophobicContact CD1-CG2 4.27Å; L465-V528 HydrophobicContact CD2-CB 4.45Å; L465-V528 HydrophobicContact CD2-CG2 3.97Å; L465-V531 HydrophobicContact CD1-CB 4.18Å; L465-V531 HydrophobicContact CD1-CG1 4.17Å; L465-V531 HydrophobicContact CD2-CB 4.3Å; L465-V531 HydrophobicContact CD2-CG2 4.11Å; L465-V531 HydrophobicContact CG-CB 4.28Å; L465-V531 HydrophobicContact CG-CG1 4.2Å; L465-V531 HydrophobicContact CG-CG2 4.46Å; L465-V532 HydrophobicContact CD1-CG2 4.45Å; L465-F585 HydrophobicContact CB-CE1 4.23Å; L465-F585 HydrophobicContact CD1-CE1 3.54Å; L465-F585 HydrophobicContact CD1-CZ 3.43Å; L465-F585 VanDerWaalsContact CD1-CZ 3.43Å; L465-F586 HydrophobicContact CB-CE1 3.99Å
466	S	95.1	Very high	91.7	Very high	30 Å²	30	36.6 Å²	36.6	21%	0.21	18%	0.179	C	C	.	.	H	α-helix	trans	-62.1	-43.8	175	-178.8	0	0	0	0	111.5	R462 V464 F469 K470	R462-S466 WeakPolarHBondContact O-CB 3.28Å; R462-S466 PolarHBondContact O-N 2.97Å; V464-S466 VanDerWaalsContact C-N 3.34Å; V464-S466 PolarHBondContact O-N 2.78Å; S466-F469 PolarHBondContact O-N 2.88Å; S466-K470 WeakPolarHBondContact O-CG 3.44Å; S466-K470 PolarHBondContact O-N 2.87Å; S466-K470 VanDerWaalsContact O-N 3.16Å
467	S	95.4	Very high	92.6	Very high	27 Å²	27	32 Å²	32	19%	0.189	16%	0.16	C	C	.	.	H	α-helix	trans	-66	-43.2	176.9	-56.2	0	0	0	0	111.4	N463 V464 L465 K470 A471	N463-S467 PolarHBondContact O-N 2.73Å; N463-S467 VanDerWaalsContact O-N 3.12Å; N463-S467 PolarHBondContact O-OG 3.14Å; V464-S467 PolarHBondContact O-N 2.75Å; L465-S467 VanDerWaalsContact C-N 3.35Å; L465-S467 PolarHBondContact O-N 2.52Å; S467-K470 PolarHBondContact O-N 3.19Å; S467-A471 WeakPolarHBondContact O-CB 3.49Å; S467-A471 PolarHBondContact O-N 2.93Å
468	L	96.4	Very high	92.9	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-42	177.1	-178.8	64	0	0	0	112.5	V464 L465 K470 A471 V472 I491 L501 L524 L527	V464-L468 WeakPolarHBondContact O-CB 3.41Å; V464-L468 PolarHBondContact O-N 3.46Å; L465-L468 HydrophobicContact CD2-CD2 4.4Å; L465-L468 PolarHBondContact O-N 3.18Å; L468-K470 VanDerWaalsContact C-N 3.31Å; L468-K470 PolarHBondContact O-N 3.22Å; L468-A471 WeakPolarHBondContact O-CB 3.47Å; L468-A471 PolarHBondContact O-N 2.77Å; L468-V472 HydrophobicContact CD1-CG2 4.26Å; L468-V472 WeakPolarHBondContact O-CG2 3.48Å; L468-V472 PolarHBondContact O-N 3Å; L468-I491 HydrophobicContact CD1-CD1 4.14Å; L468-I491 HydrophobicContact CD1-CG1 4.09Å; L468-I491 HydrophobicContact CD2-CD1 3.8Å; L468-L501 HydrophobicContact CD1-CD1 4.13Å; L468-L524 HydrophobicContact CD2-CD1 3.5Å; L468-L524 VanDerWaalsContact CD2-CD1 3.5Å; L468-L524 HydrophobicContact CG-CD1 3.79Å; L468-L527 HydrophobicContact CD2-CB 4.41Å; L468-L527 HydrophobicContact CD2-CD1 3.98Å
469	F	96.6	Very high	93.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-41.7	177.4	-88.7	-127.1	0	0	0	111.2	L465 S466 Q473 L524 V528 L562 L566 L577 L580 L581 F586	L465-F469 WeakPolarHBondContact O-CB 3.31Å; L465-F469 WeakPolarHBondContact O-CD2 3.5Å; L465-F469 PolarHBondContact O-N 2.86Å; S466-F469 PolarHBondContact O-N 2.88Å; F469-Q473 WeakPolarHBondContact O-CB 3.47Å; F469-Q473 PolarHBondContact O-N 2.77Å; F469-L524 HydrophobicContact CD1-CD2 4.35Å; F469-L524 HydrophobicContact CD2-CD1 3.85Å; F469-L524 HydrophobicContact CD2-CD2 3.84Å; F469-L524 HydrophobicContact CD2-CG 4.1Å; F469-L524 HydrophobicContact CE1-CD2 4.27Å; F469-L524 HydrophobicContact CE2-CD1 3.75Å; F469-L524 HydrophobicContact CE2-CD2 3.78Å; F469-L524 HydrophobicContact CE2-CG 3.71Å; F469-L524 HydrophobicContact CG-CD2 4.16Å; F469-L524 HydrophobicContact CZ-CD2 4.03Å; F469-L524 HydrophobicContact CZ-CG 4.16Å; F469-V528 HydrophobicContact CE2-CG2 3.75Å; F469-V528 HydrophobicContact CZ-CG2 3.9Å; F469-L562 HydrophobicContact CE1-CD1 4.06Å; F469-L562 HydrophobicContact CZ-CD1 4.16Å; F469-L562 HydrophobicContact CZ-CD2 4.06Å; F469-L562 HydrophobicContact CZ-CG 4.35Å; F469-L566 HydrophobicContact CE1-CD1 4.44Å; F469-L566 HydrophobicContact CE1-CD2 4.32Å; F469-L566 HydrophobicContact CZ-CD1 3.84Å; F469-L566 HydrophobicContact CZ-CD2 4.44Å; F469-L577 HydrophobicContact CD1-CD2 3.87Å; F469-L577 HydrophobicContact CE1-CD2 4.08Å; F469-L580 HydrophobicContact CD1-CB 4.44Å; F469-L580 HydrophobicContact CE1-CB 4.1Å; F469-L581 HydrophobicContact CB-CD2 3.63Å; F469-L581 HydrophobicContact CB-CG 4.24Å; F469-L581 HydrophobicContact CG-CD2 4.45Å; F469-F586 HydrophobicContact CD1-CE2 4.14Å; F469-F586 AromaticContact CD1-CZ 3.93Å; F469-F586 HydrophobicContact CD1-CZ 3.93Å; F469-F586 HydrophobicContact CD2-CZ 4.07Å; F469-F586 HydrophobicContact CE1-CE2 4.09Å; F469-F586 AromaticContact CE1-CZ 3.98Å; F469-F586 HydrophobicContact CE1-CZ 3.98Å; F469-F586 HydrophobicContact CE2-CZ 4.09Å; F469-F586 AromaticContact CG-CZ 3.96Å; F469-F586 HydrophobicContact CG-CZ 3.96Å; F469-F586 HydrophobicContact CZ-CE2 4.46Å; F469-F586 HydrophobicContact CZ-CZ 4.01Å
470	K	95.1	Very high	93.3	Very high	72 Å²	72	27.9 Å²	27.9	31%	0.313	16%	0.155	S	C	.	.	H	α-helix	trans	-63.9	-42.8	174	-67.5	171.9	-175.2	179.2	0	111.6	H416 S466 S467 L468 V472 Q473 E474 L581	H416-K470 VanDerWaalsContact CD2-CB 3.44Å; H416-K470 WeakPolarHBondContact CD2-CB 3.44Å; H416-K470 VanDerWaalsContact NE2-CD 3.35Å; H416-K470 WeakPolarHBondContact NE2-CD 3.48Å; S466-K470 WeakPolarHBondContact O-CG 3.44Å; S466-K470 PolarHBondContact O-N 2.87Å; S466-K470 VanDerWaalsContact O-N 3.16Å; S467-K470 PolarHBondContact O-N 3.19Å; L468-K470 VanDerWaalsContact C-N 3.31Å; L468-K470 PolarHBondContact O-N 3.22Å; K470-V472 PolarHBondContact O-N 2.83Å; K470-Q473 PolarHBondContact O-N 2.82Å; K470-E474 WeakPolarHBondContact O-CB 3.45Å; K470-E474 WeakPolarHBondContact O-CG 3.34Å; K470-E474 PolarHBondContact O-N 3.3Å; K470-L581 HydrophobicContact CG-CD1 3.79Å; K470-L581 HydrophobicContact CG-CD2 4.22Å
471	A	95.9	Very high	93.7	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-55.4	-52.5	176	0	0	0	0	0	111.7	H416 L417 S467 L468 L475 L501	H416-A471 HydrophobicContact CB-CB 3.71Å; L417-A471 HydrophobicContact CD2-CB 3.98Å; S467-A471 WeakPolarHBondContact O-CB 3.49Å; S467-A471 PolarHBondContact O-N 2.93Å; L468-A471 WeakPolarHBondContact O-CB 3.47Å; L468-A471 PolarHBondContact O-N 2.77Å; A471-L475 WeakPolarHBondContact O-CB 3.48Å; A471-L475 PolarHBondContact O-N 3.05Å; A471-L501 HydrophobicContact CB-CB 3.92Å; A471-L501 HydrophobicContact CB-CD2 4.13Å
472	V	96	Very high	94	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-67.1	-41.7	-179.7	179.9	0	0	0	0	111.1	L468 K470 L475 H476 L486 L501 L577	L468-V472 HydrophobicContact CD1-CG2 4.26Å; L468-V472 WeakPolarHBondContact O-CG2 3.48Å; L468-V472 PolarHBondContact O-N 3Å; K470-V472 PolarHBondContact O-N 2.83Å; V472-L475 WeakPolarHBondContact O-CB 3.33Å; V472-L475 PolarHBondContact O-N 3.1Å; V472-H476 VanDerWaalsContact CG1-CE1 3.44Å; V472-H476 WeakPolarHBondContact CG1-CE1 3.37Å; V472-H476 WeakPolarHBondContact CG1-NE2 3.38Å; V472-H476 WeakPolarHBondContact O-CB 3.47Å; V472-H476 PolarHBondContact O-CD2 3Å; V472-H476 VanDerWaalsContact O-CD2 3.31Å; V472-H476 VanDerWaalsContact O-CG 3.23Å; V472-H476 PolarHBondContact O-N 2.79Å; V472-L486 HydrophobicContact CG1-CD1 4.42Å; V472-L486 HydrophobicContact CG2-CD1 3.89Å; V472-L486 HydrophobicContact CG2-CD2 3.97Å; V472-L501 HydrophobicContact CG2-CD2 4.12Å; V472-L577 HydrophobicContact CB-CD1 3.95Å; V472-L577 HydrophobicContact CG1-CD1 3.63Å
473	Q	94.6	Very high	94.2	Very high	41 Å²	41	24.1 Å²	24.1	19%	0.192	14%	0.139	C	C	.	.	H	α-helix	trans	-59.2	-49.7	176.8	-179.7	-176.3	18.3	0	0	111.7	F469 K470 L475 H476 L477 L577 L581	F469-Q473 WeakPolarHBondContact O-CB 3.47Å; F469-Q473 PolarHBondContact O-N 2.77Å; K470-Q473 PolarHBondContact O-N 2.82Å; Q473-L475 VanDerWaalsContact C-N 3.33Å; Q473-H476 PolarHBondContact O-N 2.79Å; Q473-L477 HydrophobicContact CG-CD1 3.66Å; Q473-L477 HydrophobicContact CG-CG 4.37Å; Q473-L477 WeakPolarHBondContact O-CB 3.34Å; Q473-L477 WeakPolarHBondContact O-CG 3.49Å; Q473-L477 PolarHBondContact O-N 3.39Å; Q473-L577 HydrophobicContact CB-CB 3.96Å; Q473-L577 HydrophobicContact CB-CD1 4.14Å; Q473-L577 HydrophobicContact CG-CB 4.25Å; Q473-L581 VanDerWaalsContact OE1-CD1 3.31Å
474	E	92.4	Very high	94.4	Very high	55 Å²	55	21.4 Å²	21.4	26%	0.257	12%	0.123	S	C	.	.	H	α-helix	trans	-68.3	-33.9	179.6	-75.7	-178.9	-157.3	0	0	111.9	N414 H416 K470 S478 C479	N414-E474 WeakPolarHBondContact CB-OE2 3.43Å; N414-E474 WeakPolarHBondContact ND2-CB 3.01Å; N414-E474 PolarHBondContact ND2-OE2 3.4Å; N414-E474 PolarHBondContact OD1-OE2 2.93Å; H416-E474 IonicContact CD2-OE1 3.15Å; K470-E474 WeakPolarHBondContact O-CB 3.45Å; K470-E474 WeakPolarHBondContact O-CG 3.34Å; K470-E474 PolarHBondContact O-N 3.3Å; E474-S478 WeakPolarHBondContact O-CA 3.11Å; E474-S478 VanDerWaalsContact O-CB 3.25Å; E474-S478 WeakPolarHBondContact O-CB 3.35Å; E474-S478 PolarHBondContact O-N 3.16Å; E474-C479 PolarHBondContact O-N 3.07Å; E474-C479 PolarHBondContact O-SG 3.39Å; E474-C479 VanDerWaalsContact O-SG 3.41Å
475	L	94.1	Very high	94.6	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.126	C	C	.	.	I	π-helix	trans	-59.9	-47.3	171.8	-171.7	69.6	0	0	0	110.8	L417 A471 V472 Q473 C479 A480 Y481 H483 L501 F504	L417-L475 HydrophobicContact CD1-CD1 4.17Å; A471-L475 WeakPolarHBondContact O-CB 3.48Å; A471-L475 PolarHBondContact O-N 3.05Å; V472-L475 WeakPolarHBondContact O-CB 3.33Å; V472-L475 PolarHBondContact O-N 3.1Å; Q473-L475 VanDerWaalsContact C-N 3.33Å; L475-C479 HydrophobicContact CD1-CB 4.26Å; L475-C479 CarbonylContact O-C 3.5Å; L475-C479 WeakPolarHBondContact O-CB 3.44Å; L475-C479 PolarHBondContact O-N 2.89Å; L475-A480 PolarHBondContact O-N 3.38Å; L475-Y481 CarbonylContact C-O 3.43Å; L475-Y481 PolarHBondContact O-N 2.91Å; L475-Y481 VanDerWaalsContact O-O 3.12Å; L475-H483 HydrophobicContact CD2-CB 3.78Å; L475-L501 HydrophobicContact CD2-CD2 4.5Å; L475-F504 HydrophobicContact CD1-CE1 4.36Å
476	H	93	Very high	94.7	Very high	3 Å²	3	22 Å²	22	1%	0.014	13%	0.126	C	C	.	.	I	π-helix	trans	-70.7	-44.3	-178.7	-68.2	-174	0	0	0	113	V472 Q473 Y481 D520 R574	V472-H476 VanDerWaalsContact CG1-CE1 3.44Å; V472-H476 WeakPolarHBondContact CG1-CE1 3.37Å; V472-H476 WeakPolarHBondContact CG1-NE2 3.38Å; V472-H476 WeakPolarHBondContact O-CB 3.47Å; V472-H476 PolarHBondContact O-CD2 3Å; V472-H476 VanDerWaalsContact O-CD2 3.31Å; V472-H476 VanDerWaalsContact O-CG 3.23Å; V472-H476 PolarHBondContact O-N 2.79Å; Q473-H476 PolarHBondContact O-N 2.79Å; H476-Y481 WeakPolarHBondContact CA-O 3.43Å; H476-Y481 PolarHBondContact CD2-O 2.89Å; H476-Y481 PolarHBondContact N-O 3.39Å; H476-D520 IonicContact CD2-OD2 3.98Å; H476-D520 IonicContact CE1-OD2 2.99Å; H476-D520 IonicContact NE2-OD2 3.71Å; H476-D520 PolarHBondContact NE2-OD2 3.32Å; H476-R574 PolarHBondContact O-NE 3.17Å; H476-R574 PolarHBondContact O-NH2 3.29Å
477	L	90.4	Very high	94.8	Very high	53 Å²	53	22.5 Å²	22.5	28%	0.277	13%	0.125	S	C	.	.	I	π-helix	trans	-89.4	-52.3	-171.9	-66.1	178.7	0	0	0	112.8	Q473 R574 D575	Q473-L477 HydrophobicContact CG-CD1 3.66Å; Q473-L477 HydrophobicContact CG-CG 4.37Å; Q473-L477 WeakPolarHBondContact O-CB 3.34Å; Q473-L477 WeakPolarHBondContact O-CG 3.49Å; Q473-L477 PolarHBondContact O-N 3.39Å; L477-R574 HydrophobicContact CD2-CB 4.45Å; L477-R574 HydrophobicContact CD2-CG 3.69Å; L477-R574 WeakPolarHBondContact CD2-O 3.37Å; L477-R574 PolarHBondContact O-NH2 3.18Å; L477-R574 VanDerWaalsContact O-NH2 3.11Å; L477-D575 VanDerWaalsContact CD2-OD1 3.28Å; L477-D575 WeakPolarHBondContact CD2-OD1 3.4Å
478	S	90.1	Very high	94.9	Very high	96 Å²	96	21.2 Å²	21.2	67%	0.671	12%	0.116	S	C	*	.	I	π-helix	trans	-84.7	-43	-172.9	-51.8	0	0	0	0	111.6	E474	E474-S478 WeakPolarHBondContact O-CA 3.11Å; E474-S478 VanDerWaalsContact O-CB 3.25Å; E474-S478 WeakPolarHBondContact O-CB 3.35Å; E474-S478 PolarHBondContact O-N 3.16Å
479	C	90	Very high	94.9	Very high	13 Å²	13	23.4 Å²	23.4	9%	0.088	13%	0.127	C	C	.	.	I	π-helix	trans	-87.6	-23	-176.8	-46.5	0	0	0	0	112.2	S411 E474 L475 Y481	S411-C479 WeakPolarHBondContact CB-SG 3.48Å; E474-C479 PolarHBondContact O-N 3.07Å; E474-C479 PolarHBondContact O-SG 3.39Å; E474-C479 VanDerWaalsContact O-SG 3.41Å; L475-C479 HydrophobicContact CD1-CB 4.26Å; L475-C479 CarbonylContact O-C 3.5Å; L475-C479 WeakPolarHBondContact O-CB 3.44Å; L475-C479 PolarHBondContact O-N 2.89Å; C479-Y481 HydrophobicContact CB-CD2 4.16Å; C479-Y481 WeakPolarHBondContact O-CD2 3.41Å; C479-Y481 WeakPolarHBondContact O-CE2 3.43Å
480	A	93	Very high	94.9	Very high	27 Å²	27	24 Å²	24	22%	0.223	13%	0.13	C	C	.	.			trans	59	42.7	-172.3	0	0	0	0	0	113.3	L475 W510	L475-A480 PolarHBondContact O-N 3.38Å; A480-W510 PolarHBondContact O-N 3.39Å
481	Y	95.1	Very high	95.1	Very high	7 Å²	7	20.6 Å²	20.6	3%	0.027	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	155.9	172.1	-77.6	-98.8	0	0	0	110.6	S406 C407 L475 H476 C479 I508 K509	S406-Y481 PolarHBondContact O-OH 3.02Å; S406-Y481 PolarHBondContact OG-OH 3.29Å; C407-Y481 HydrophobicContact CB-CD1 4.03Å; C407-Y481 HydrophobicContact CB-CE1 4.11Å; C407-Y481 HydrophobicContact CB-CG 4.42Å; L475-Y481 CarbonylContact C-O 3.43Å; L475-Y481 PolarHBondContact O-N 2.91Å; L475-Y481 VanDerWaalsContact O-O 3.12Å; H476-Y481 WeakPolarHBondContact CA-O 3.43Å; H476-Y481 PolarHBondContact CD2-O 2.89Å; H476-Y481 PolarHBondContact N-O 3.39Å; C479-Y481 HydrophobicContact CB-CD2 4.16Å; C479-Y481 WeakPolarHBondContact O-CD2 3.41Å; C479-Y481 WeakPolarHBondContact O-CE2 3.43Å; Y481-I508 CarbonylContact C-O 3.51Å; Y481-I508 VanDerWaalsContact CA-O 3.29Å; Y481-I508 WeakPolarHBondContact CA-O 3.49Å; Y481-I508 WeakPolarHBondContact CD1-O 3.27Å; Y481-K509 HydrophobicContact CD1-CB 4.2Å; Y481-K509 HydrophobicContact CE1-CB 3.72Å; Y481-K509 HydrophobicContact CE1-CG 4.31Å; Y481-K509 HydrophobicContact CE2-CG 4.3Å
482	T	95.9	Very high	95.2	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	144.5	162.7	57.4	0	0	0	0	108.6	Q484 S507 I508 E516 V517 D520	T482-Q484 PolarHBondContact OG1-NE2 3.37Å; T482-S507 WeakPolarHBondContact O-CA 3.37Å; T482-S507 WeakPolarHBondContact O-CB 3.45Å; T482-I508 PolarHBondContact N-O 2.96Å; T482-I508 PolarHBondContact O-N 3.21Å; T482-I508 PolarHBondContact OG1-O 3.21Å; T482-E516 HydrophobicContact CG2-CB 3.98Å; T482-V517 HydrophobicContact CG2-CG2 3.89Å; T482-D520 WeakPolarHBondContact CA-OD2 3.42Å; T482-D520 WeakPolarHBondContact CB-OD2 3.41Å
483	H	97.3	Very high	95.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.124	C	C	.	.			trans	-76.6	-44.4	-172.9	-167.4	-70.4	0	0	0	112.2	L475 D485 L486 A502 D503 F504 D520	L475-H483 HydrophobicContact CD2-CB 3.78Å; H483-D485 PolarHBondContact CE1-O 3.06Å; H483-D485 PolarHBondContact ND1-N 2.99Å; H483-D485 PolarHBondContact ND1-O 3.47Å; H483-D485 PolarHBondContact O-N 2.91Å; H483-L486 HydrophobicContact CB-CD2 3.89Å; H483-L486 HydrophobicContact CB-CG 4Å; H483-A502 PolarHBondContact CE1-O 3.26Å; H483-A502 PolarHBondContact NE2-O 3.38Å; H483-D503 PolarHBondContact CE1-O 3.33Å; H483-D503 PolarHBondContact NE2-O 3.45Å; H483-F504 AromaticContact CD2-CD1 3.86Å; H483-F504 AromaticContact CD2-CE1 3.76Å; H483-F504 AromaticContact NE2-CD1 4Å; H483-F504 AromaticContact NE2-CE1 3.96Å; H483-D520 PolarHBondContact N-OD2 3.3Å
484	Q	96.7	Very high	95	Very high	19 Å²	19	21.5 Å²	21.5	9%	0.089	12%	0.121	C	C	.	.	S	Bend	trans	66	7.5	178.2	-53.3	-63	-74.2	0	0	116.3	T482 I508 E516 D520	T482-Q484 PolarHBondContact OG1-NE2 3.37Å; Q484-I508 HydrophobicContact CG-CB 4.35Å; Q484-I508 HydrophobicContact CG-CD1 3.8Å; Q484-I508 HydrophobicContact CG-CG1 3.91Å; Q484-E516 PolarHBondContact NE2-O 2.86Å; Q484-D520 WeakPolarHBondContact CA-OD1 3.48Å; Q484-D520 PolarHBondContact N-OD1 3.46Å; Q484-D520 PolarHBondContact NE2-OD1 3.32Å
485	D	96.9	Very high	94.8	Very high	14 Å²	14	22 Å²	22	8%	0.075	13%	0.13	C	C	.	.			trans	-155.1	43	-177.1	-153.2	46.7	0	0	0	111.8	H483 Q487 N490 K506	H483-D485 PolarHBondContact CE1-O 3.06Å; H483-D485 PolarHBondContact ND1-N 2.99Å; H483-D485 PolarHBondContact ND1-O 3.47Å; H483-D485 PolarHBondContact O-N 2.91Å; D485-Q487 PolarHBondContact O-N 3.38Å; D485-Q487 PolarHBondContact OD2-NE2 3.41Å; D485-N490 PolarHBondContact O-ND2 3.3Å; D485-N490 PolarHBondContact OD2-ND2 2.98Å; D485-K506 HydrophobicContact CB-CB 4.39Å; D485-K506 HydrophobicContact CB-CD 3.7Å; D485-K506 VanDerWaalsContact CG-CD 3.49Å; D485-K506 IonicContact OD1-NZ 3.74Å; D485-K506 PolarHBondContact OD1-NZ 3.08Å; D485-K506 WeakPolarHBondContact OD2-CD 3.46Å; D485-K506 IonicContact OD2-NZ 2.95Å; D485-K506 PolarHBondContact OD2-NZ 3.16Å
486	L	98.1	Very high	94.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.167	C	C	.	.			trans	-70.4	114.9	178.1	-69.1	176.8	0	0	0	109.2	V472 H483 L501 D520 D523 L524 L527 F539	V472-L486 HydrophobicContact CG1-CD1 4.42Å; V472-L486 HydrophobicContact CG2-CD1 3.89Å; V472-L486 HydrophobicContact CG2-CD2 3.97Å; H483-L486 HydrophobicContact CB-CD2 3.89Å; H483-L486 HydrophobicContact CB-CG 4Å; L486-L501 HydrophobicContact CD2-CD1 3.64Å; L486-L501 HydrophobicContact CD2-CD2 3.97Å; L486-L501 HydrophobicContact CD2-CG 4.45Å; L486-D520 HydrophobicContact CD1-CB 3.95Å; L486-D520 WeakPolarHBondContact CD1-O 3.31Å; L486-D523 HydrophobicContact CB-CB 3.81Å; L486-L524 HydrophobicContact CD1-CB 4.32Å; L486-L527 HydrophobicContact CB-CD1 3.78Å; L486-F539 VanDerWaalsContact O-CE1 3.26Å; L486-F539 WeakPolarHBondContact O-CE1 3.34Å; L486-F539 VanDerWaalsContact O-CZ 3.31Å; L486-F539 WeakPolarHBondContact O-CZ 3.23Å
487	Q	97.5	Very high	94.3	Very high	41 Å²	41	36.3 Å²	36.3	19%	0.192	20%	0.199	C	C	.	.			trans	-157.5	160.4	-179.5	65.6	-169.5	-8.9	0	0	111.4	D485 Q489 N490 F539	D485-Q487 PolarHBondContact O-N 3.38Å; D485-Q487 PolarHBondContact OD2-NE2 3.41Å; Q487-Q489 VanDerWaalsContact C-N 3.26Å; Q487-Q489 PolarHBondContact O-N 3.49Å; Q487-N490 HydrophobicContact CG-CB 4.1Å; Q487-N490 PolarHBondContact NE2-ND2 2.75Å; Q487-N490 VanDerWaalsContact NE2-ND2 3.13Å; Q487-N490 PolarHBondContact O-N 2.93Å; Q487-F539 HydrophobicContact CB-CD1 3.75Å; Q487-F539 HydrophobicContact CB-CE1 3.53Å; Q487-F539 HydrophobicContact CB-CZ 4.45Å
488	P	97.7	Very high	94.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-56.5	-34.1	-174.8	-28.6	37.5	0	0	0	115	L441 E442 N490 I491 L527 Y530 F539	L441-P488 WeakPolarHBondContact CB-O 3.28Å; L441-P488 PolarHBondContact N-O 3.04Å; E442-P488 HydrophobicContact CB-CB 4Å; P488-N490 PolarHBondContact O-N 3Å; P488-I491 PolarHBondContact O-N 3.31Å; P488-L527 HydrophobicContact CG-CD2 3.86Å; P488-Y530 HydrophobicContact CB-CD1 4.24Å; P488-Y530 HydrophobicContact CB-CE1 3.57Å; P488-Y530 HydrophobicContact CG-CD1 3.58Å; P488-Y530 HydrophobicContact CG-CD2 4.23Å; P488-Y530 HydrophobicContact CG-CE1 3.3Å; P488-Y530 HydrophobicContact CG-CE2 4Å; P488-Y530 HydrophobicContact CG-CG 4.04Å; P488-F539 VanDerWaalsContact CD-CG 3.45Å; P488-F539 HydrophobicContact CG-CB 3.91Å; P488-F539 HydrophobicContact CG-CD2 4.12Å; P488-F539 HydrophobicContact CG-CG 3.94Å
489	Q	96.3	Very high	94.6	Very high	49 Å²	49	31.5 Å²	31.5	23%	0.229	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-70.3	-23.3	-178.9	-61	80.9	3.9	0	0	112.8	T440 E442 Q487 I491	T440-Q489 WeakPolarHBondContact CG2-O 3.46Å; E442-Q489 PolarHBondContact OE1-NE2 3.19Å; E442-Q489 VanDerWaalsContact OE1-NE2 3.17Å; E442-Q489 WeakPolarHBondContact OE2-CG 3.37Å; E442-Q489 PolarHBondContact OE2-NE2 2.98Å; Q487-Q489 VanDerWaalsContact C-N 3.26Å; Q487-Q489 PolarHBondContact O-N 3.49Å; Q489-I491 VanDerWaalsContact C-N 3.33Å
490	N	97.5	Very high	94.9	Very high	13 Å²	13	31.8 Å²	31.8	7%	0.07	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-93	3.1	-179.7	-68.5	-3.5	0	0	0	112.4	D485 Q487 P488 A502 D503	D485-N490 PolarHBondContact O-ND2 3.3Å; D485-N490 PolarHBondContact OD2-ND2 2.98Å; Q487-N490 HydrophobicContact CG-CB 4.1Å; Q487-N490 PolarHBondContact NE2-ND2 2.75Å; Q487-N490 VanDerWaalsContact NE2-ND2 3.13Å; Q487-N490 PolarHBondContact O-N 2.93Å; P488-N490 PolarHBondContact O-N 3Å; N490-A502 PolarHBondContact O-N 3.34Å; N490-D503 HydrophobicContact CB-CB 4.11Å; N490-D503 VanDerWaalsContact CG-CB 3.48Å; N490-D503 PolarHBondContact ND2-OD2 2.86Å; N490-D503 PolarHBondContact OD1-OD2 3.12Å
491	I	98.3	Very high	95.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114.8	175.1	-59.1	161.4	0	0	0	107.2	T440 L441 L468 P488 Q489 V499 L501 L527	T440-I491 CarbonylContact C-O 3.59Å; T440-I491 WeakPolarHBondContact CA-O 3.44Å; L441-I491 HydrophobicContact CB-CB 3.88Å; L441-I491 HydrophobicContact CB-CG2 3.97Å; L441-I491 HydrophobicContact CD2-CB 4.12Å; L441-I491 HydrophobicContact CD2-CD1 3.68Å; L441-I491 HydrophobicContact CD2-CG2 4.02Å; L441-I491 PolarHBondContact N-O 3.46Å; L468-I491 HydrophobicContact CD1-CD1 4.14Å; L468-I491 HydrophobicContact CD1-CG1 4.09Å; L468-I491 HydrophobicContact CD2-CD1 3.8Å; P488-I491 PolarHBondContact O-N 3.31Å; Q489-I491 VanDerWaalsContact C-N 3.33Å; I491-V499 HydrophobicContact CG2-CG1 3.43Å; I491-V499 VanDerWaalsContact CG2-CG1 3.43Å; I491-L501 HydrophobicContact CG1-CD1 4.45Å; I491-L527 HydrophobicContact CD1-CD1 3.97Å; I491-L527 HydrophobicContact CD1-CD2 3.82Å
492	L	97.8	Very high	95.3	Very high	34 Å²	34	30.7 Å²	30.7	18%	0.178	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	148	-173.3	-54	-174.1	0	0	0	111.1	V418 C437 T440 V499 H500 A502	V418-L492 HydrophobicContact CG1-CD1 3.92Å; C437-L492 HydrophobicContact CB-CB 3.68Å; C437-L492 HydrophobicContact CB-CD1 4.12Å; C437-L492 HydrophobicContact CB-CG 4.47Å; T440-L492 HydrophobicContact CG2-CD2 3.97Å; L492-V499 WeakPolarHBondContact O-CA 3.34Å; L492-H500 PolarHBondContact N-O 2.89Å; L492-H500 PolarHBondContact O-N 2.85Å; L492-A502 HydrophobicContact CD1-CB 3.61Å; L492-A502 HydrophobicContact CG-CB 3.86Å
493	I	95.6	Very high	95.3	Very high	3 Å²	3	32.2 Å²	32.2	2%	0.015	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	122.1	178.5	-61.1	170.3	0	0	0	108.3	E438 Q439 L441 C444 F460 A498 V499	E438-I493 PolarHBondContact N-O 3.47Å; Q439-I493 HydrophobicContact CG-CB 4.41Å; Q439-I493 PolarHBondContact N-O 2.91Å; Q439-I493 PolarHBondContact O-N 3.36Å; L441-I493 HydrophobicContact CD1-CD1 4.26Å; C444-I493 HydrophobicContact CB-CD1 3.41Å; C444-I493 VanDerWaalsContact CB-CD1 3.41Å; C444-I493 WeakPolarHBondContact SG-CD1 3.49Å; F460-I493 HydrophobicContact CZ-CD1 4.4Å; I493-A498 WeakPolarHBondContact CA-O 3.32Å; I493-V499 HydrophobicContact CG1-CG2 4.4Å
494	D	92.1	Very high	95.3	Very high	23 Å²	23	32.2 Å²	32.2	12%	0.123	17%	0.172	C	C	.	.			trans	-82.7	178.1	179.9	74.7	17.4	0	0	0	112.8	K496 N497 A498 H500	D494-K496 PolarHBondContact O-N 3.33Å; D494-K496 VanDerWaalsContact O-N 3.11Å; D494-K496 VanDerWaalsContact OD1-C 3.32Å; D494-K496 VanDerWaalsContact OD1-CA 3.28Å; D494-K496 WeakPolarHBondContact OD1-CA 3.36Å; D494-K496 WeakPolarHBondContact OD1-CB 3.39Å; D494-K496 PolarHBondContact OD1-N 3.38Å; D494-N497 PolarHBondContact O-N 3.43Å; D494-N497 PolarHBondContact OD1-N 3.25Å; D494-N497 VanDerWaalsContact OD1-N 3.15Å; D494-A498 PolarHBondContact N-O 3.06Å; D494-A498 WeakPolarHBondContact OD1-CB 3.36Å; D494-A498 PolarHBondContact OD1-N 2.98Å; D494-A498 VanDerWaalsContact OD2-CB 3.25Å; D494-A498 WeakPolarHBondContact OD2-CB 3.26Å; D494-H500 IonicContact OD2-CD2 2.95Å; D494-H500 IonicContact OD2-CE1 2.85Å; D494-H500 IonicContact OD2-NE2 3.92Å; D494-H500 PolarHBondContact OD2-NE2 3.04Å
495	S	87.8	Confident	95.3	Very high	65 Å²	65	31.6 Å²	31.6	46%	0.455	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-10.4	-179.8	59.3	0	0	0	0	114.6
496	K	88.7	Confident	95.2	Very high	176 Å²	176	34.3 Å²	34.3	77%	0.765	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103	9.8	174.6	-60.7	177.5	-177	170	0	112.1	D494 A498	D494-K496 PolarHBondContact O-N 3.33Å; D494-K496 VanDerWaalsContact O-N 3.11Å; D494-K496 VanDerWaalsContact OD1-C 3.32Å; D494-K496 VanDerWaalsContact OD1-CA 3.28Å; D494-K496 WeakPolarHBondContact OD1-CA 3.36Å; D494-K496 WeakPolarHBondContact OD1-CB 3.39Å; D494-K496 PolarHBondContact OD1-N 3.38Å; K496-A498 PolarHBondContact O-N 3.28Å
497	N	87.7	Confident	95.2	Very high	129 Å²	129	34.4 Å²	34.4	69%	0.69	18%	0.181	S	C	*	.			trans	60.6	21.9	-172.7	-57.5	-41.7	0	0	0	113.9	D494	D494-N497 PolarHBondContact O-N 3.43Å; D494-N497 PolarHBondContact OD1-N 3.25Å; D494-N497 VanDerWaalsContact OD1-N 3.15Å
498	A	91.9	Very high	95	Very high	38 Å²	38	35.1 Å²	35.1	31%	0.314	19%	0.185	S	C	.	.			trans	-79.3	144.2	171.9	0	0	0	0	0	109.9	I493 D494 K496	I493-A498 WeakPolarHBondContact CA-O 3.32Å; D494-A498 PolarHBondContact N-O 3.06Å; D494-A498 WeakPolarHBondContact OD1-CB 3.36Å; D494-A498 PolarHBondContact OD1-N 2.98Å; D494-A498 VanDerWaalsContact OD2-CB 3.25Å; D494-A498 WeakPolarHBondContact OD2-CB 3.26Å; K496-A498 PolarHBondContact O-N 3.28Å
499	V	95	Very high	94.8	Very high	10 Å²	10	41.5 Å²	41.5	6%	0.061	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.7	-176	177.7	0	0	0	0	110.1	V464 I491 L492 I493	V464-V499 HydrophobicContact CB-CG2 4.21Å; V464-V499 HydrophobicContact CG1-CG1 4.36Å; V464-V499 HydrophobicContact CG1-CG2 4.22Å; V464-V499 HydrophobicContact CG2-CG2 3.86Å; I491-V499 HydrophobicContact CG2-CG1 3.43Å; I491-V499 VanDerWaalsContact CG2-CG1 3.43Å; L492-V499 WeakPolarHBondContact O-CA 3.34Å; I493-V499 HydrophobicContact CG1-CG2 4.4Å
500	H	96.7	Very high	94.4	Very high	19 Å²	19	42.4 Å²	42.4	9%	0.088	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.6	-178.1	-59.3	-75.1	0	0	0	110.6	H416 V418 L492 D494	H416-H500 WeakPolarHBondContact O-CA 3.39Å; V418-H500 HydrophobicContact CG1-CB 3.88Å; L492-H500 PolarHBondContact N-O 2.89Å; L492-H500 PolarHBondContact O-N 2.85Å; D494-H500 IonicContact OD2-CD2 2.95Å; D494-H500 IonicContact OD2-CE1 2.85Å; D494-H500 IonicContact OD2-NE2 3.92Å; D494-H500 PolarHBondContact OD2-NE2 3.04Å
501	L	98.1	Very high	93.9	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	137.3	169.3	-177.2	61.9	0	0	0	110.1	H416 L417 V418 L468 A471 V472 L475 L486 I491 F504	H416-L501 PolarHBondContact O-N 3.5Å; L417-L501 WeakPolarHBondContact CA-O 3.31Å; L417-L501 HydrophobicContact CD2-CB 3.66Å; L417-L501 HydrophobicContact CD2-CD2 3.9Å; L417-L501 HydrophobicContact CD2-CG 4.14Å; V418-L501 PolarHBondContact N-O 3.35Å; L468-L501 HydrophobicContact CD1-CD1 4.13Å; A471-L501 HydrophobicContact CB-CB 3.92Å; A471-L501 HydrophobicContact CB-CD2 4.13Å; V472-L501 HydrophobicContact CG2-CD2 4.12Å; L475-L501 HydrophobicContact CD2-CD2 4.5Å; L486-L501 HydrophobicContact CD2-CD1 3.64Å; L486-L501 HydrophobicContact CD2-CD2 3.97Å; L486-L501 HydrophobicContact CD2-CG 4.45Å; I491-L501 HydrophobicContact CG1-CD1 4.45Å; L501-F504 HydrophobicContact CG-CE1 4.28Å; L501-F504 HydrophobicContact CG-CZ 4.46Å; L501-F504 WeakPolarHBondContact O-CZ 3.36Å
502	A	97.4	Very high	93.2	Very high	9 Å²	9	49.3 Å²	49.3	7%	0.074	27%	0.265	C	S	.	.			trans	-139.9	177.3	-176	0	0	0	0	0	111.6	V418 H483 N490 L492	V418-A502 HydrophobicContact CB-CB 4.44Å; V418-A502 HydrophobicContact CG1-CB 3.66Å; V418-A502 HydrophobicContact CG2-CB 3.86Å; H483-A502 PolarHBondContact CE1-O 3.26Å; H483-A502 PolarHBondContact NE2-O 3.38Å; N490-A502 PolarHBondContact O-N 3.34Å; L492-A502 HydrophobicContact CD1-CB 3.61Å; L492-A502 HydrophobicContact CG-CB 3.86Å
503	D	96.9	Very high	92.8	Very high	34 Å²	34	51 Å²	51	18%	0.182	27%	0.274	C	S	.	.			trans	69.6	75.7	175.7	-166.2	30.6	0	0	0	114.1	K392 H483 N490	K392-D503 IonicContact NZ-OD1 3.93Å; K392-D503 PolarHBondContact NZ-OD1 2.83Å; H483-D503 PolarHBondContact CE1-O 3.33Å; H483-D503 PolarHBondContact NE2-O 3.45Å; N490-D503 HydrophobicContact CB-CB 4.11Å; N490-D503 VanDerWaalsContact CG-CB 3.48Å; N490-D503 PolarHBondContact ND2-OD2 2.86Å; N490-D503 PolarHBondContact OD1-OD2 3.12Å
504	F	97.1	Very high	92.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	30%	0.295	C	S	.	.			trans	-100.3	11.5	-173.6	-54.7	-76.2	0	0	0	114.1	E404 C407 L408 L417 V418 L475 H483 L501 K506 S507	E404-F504 PolarHBondContact OE1-N 3.4Å; E404-F504 VanDerWaalsContact OE1-N 3.15Å; E404-F504 PolarHBondContact OE2-N 3.02Å; E404-F504 VanDerWaalsContact OE2-N 3.13Å; C407-F504 HydrophobicContact CB-CB 3.77Å; C407-F504 HydrophobicContact CB-CG 4.31Å; L408-F504 HydrophobicContact CD2-CD2 3.46Å; L408-F504 VanDerWaalsContact CD2-CD2 3.46Å; L408-F504 HydrophobicContact CD2-CE2 3.51Å; L408-F504 HydrophobicContact CG-CD2 3.88Å; L408-F504 HydrophobicContact CG-CE2 4.42Å; L417-F504 HydrophobicContact CB-CZ 4.07Å; L417-F504 HydrophobicContact CD1-CE1 4.39Å; L417-F504 HydrophobicContact CD1-CZ 4.08Å; L417-F504 HydrophobicContact CD2-CE1 4.18Å; L417-F504 HydrophobicContact CD2-CZ 3.92Å; L417-F504 HydrophobicContact CG-CZ 4.21Å; V418-F504 HydrophobicContact CG2-CE2 3.84Å; L475-F504 HydrophobicContact CD1-CE1 4.36Å; H483-F504 AromaticContact CD2-CD1 3.86Å; H483-F504 AromaticContact CD2-CE1 3.76Å; H483-F504 AromaticContact NE2-CD1 4Å; H483-F504 AromaticContact NE2-CE1 3.96Å; L501-F504 HydrophobicContact CG-CE1 4.28Å; L501-F504 HydrophobicContact CG-CZ 4.46Å; L501-F504 WeakPolarHBondContact O-CZ 3.36Å; F504-K506 PolarHBondContact O-N 3.22Å; F504-S507 WeakPolarHBondContact CA-OG 3.35Å; F504-S507 WeakPolarHBondContact CB-OG 3.41Å; F504-S507 WeakPolarHBondContact O-CB 3.47Å; F504-S507 PolarHBondContact O-N 3.29Å; F504-S507 PolarHBondContact O-OG 3.04Å
505	D	95.4	Very high	92.4	Very high	5 Å²	5	58.4 Å²	58.4	3%	0.027	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-16.1	-174.7	79.4	-18.8	0	0	0	114	F394 R400 Q403 E404	F394-D505 HydrophobicContact CE1-CB 3.89Å; F394-D505 HydrophobicContact CZ-CB 4.08Å; R400-D505 HydrophobicContact CB-CB 3.96Å; R400-D505 WeakPolarHBondContact CD-OD2 3.47Å; R400-D505 HydrophobicContact CG-CB 4.27Å; R400-D505 IonicContact CZ-OD2 3.61Å; R400-D505 IonicContact NH1-OD1 2.82Å; R400-D505 PolarHBondContact NH1-OD1 3.25Å; R400-D505 IonicContact NH1-OD2 3.78Å; R400-D505 PolarHBondContact NH1-OD2 2.92Å; Q403-D505 WeakPolarHBondContact CB-O 3.31Å; Q403-D505 PolarHBondContact OE1-O 3.3Å; Q403-D505 VanDerWaalsContact OE1-O 3.08Å; E404-D505 HydrophobicContact CB-CB 4.16Å; E404-D505 WeakPolarHBondContact OE2-CB 3.45Å; E404-D505 PolarHBondContact OE2-N 2.92Å
506	K	96.6	Very high	92.6	Very high	72 Å²	72	56.5 Å²	56.5	31%	0.313	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-2	170.5	-69.9	167	-177.1	167.3	0	113.5	D485 F504	D485-K506 HydrophobicContact CB-CB 4.39Å; D485-K506 HydrophobicContact CB-CD 3.7Å; D485-K506 VanDerWaalsContact CG-CD 3.49Å; D485-K506 IonicContact OD1-NZ 3.74Å; D485-K506 PolarHBondContact OD1-NZ 3.08Å; D485-K506 WeakPolarHBondContact OD2-CD 3.46Å; D485-K506 IonicContact OD2-NZ 2.95Å; D485-K506 PolarHBondContact OD2-NZ 3.16Å; F504-K506 PolarHBondContact O-N 3.22Å
507	S	96.5	Very high	92.8	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.014	26%	0.262	C	S	.	.			trans	-62	146	-176.4	-65.8	0	0	0	0	111.8	Q403 T482 F504	Q403-S507 PolarHBondContact NE2-O 3.22Å; T482-S507 WeakPolarHBondContact O-CA 3.37Å; T482-S507 WeakPolarHBondContact O-CB 3.45Å; F504-S507 WeakPolarHBondContact CA-OG 3.35Å; F504-S507 WeakPolarHBondContact CB-OG 3.41Å; F504-S507 WeakPolarHBondContact O-CB 3.47Å; F504-S507 PolarHBondContact O-N 3.29Å; F504-S507 PolarHBondContact O-OG 3.04Å
508	I	94.8	Very high	93.1	Very high	55 Å²	55	45.4 Å²	45.4	28%	0.282	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	132.4	179.9	-60.2	174.5	0	0	0	108	Y481 T482 Q484 W510	Y481-I508 CarbonylContact C-O 3.51Å; Y481-I508 VanDerWaalsContact CA-O 3.29Å; Y481-I508 WeakPolarHBondContact CA-O 3.49Å; Y481-I508 WeakPolarHBondContact CD1-O 3.27Å; T482-I508 PolarHBondContact N-O 2.96Å; T482-I508 PolarHBondContact O-N 3.21Å; T482-I508 PolarHBondContact OG1-O 3.21Å; Q484-I508 HydrophobicContact CG-CB 4.35Å; Q484-I508 HydrophobicContact CG-CD1 3.8Å; Q484-I508 HydrophobicContact CG-CG1 3.91Å; I508-W510 PolarHBondContact O-N 2.93Å
509	K	93.3	Very high	93.2	Very high	135 Å²	135	49.7 Å²	49.7	59%	0.587	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.6	119.9	170.1	-172.2	172.7	-174.9	170.7	0	107.8	Y481 T511	Y481-K509 HydrophobicContact CD1-CB 4.2Å; Y481-K509 HydrophobicContact CE1-CB 3.72Å; Y481-K509 HydrophobicContact CE1-CG 4.31Å; Y481-K509 HydrophobicContact CE2-CG 4.3Å; K509-T511 PolarHBondContact O-N 3.22Å
510	W	88.1	Confident	93.3	Very high	67 Å²	67	49.2 Å²	49.2	25%	0.254	25%	0.249	S	C	.	.			trans	-64.3	124.6	-172.4	-176.8	57	0	0	0	110.8	A480 I508 G512 D513	A480-W510 PolarHBondContact O-N 3.39Å; I508-W510 PolarHBondContact O-N 2.93Å; W510-G512 VanDerWaalsContact CE2-CA 3.49Å; W510-D513 PolarHBondContact NE1-O 3.4Å; W510-D513 VanDerWaalsContact NE1-O 3.1Å
511	T	85.8	Confident	93.3	Very high	120 Å²	120	48.3 Å²	48.3	74%	0.736	25%	0.245	S	C	*	.			trans	-103	-0.5	-178.7	59.4	0	0	0	0	113.5	K509	K509-T511 PolarHBondContact O-N 3.22Å
512	G	84.4	Confident	93.2	Very high	39 Å²	39	50.3 Å²	50.3	40%	0.402	25%	0.254	S	S	.	.	S	Bend	trans	110.2	-5	-176.2	0	0	0	0	0	114.5	W510 P514	W510-G512 VanDerWaalsContact CE2-CA 3.49Å; G512-P514 VanDerWaalsContact O-CD 3.25Å; G512-P514 WeakPolarHBondContact O-CD 3.45Å
513	D	88.8	Confident	93.3	Very high	69 Å²	69	50.6 Å²	50.6	37%	0.369	25%	0.254	S	S	.	.			trans	-70.9	118.3	176.8	-175.7	0.9	0	0	0	110.8	W510 Q515 E516	W510-D513 PolarHBondContact NE1-O 3.4Å; W510-D513 VanDerWaalsContact NE1-O 3.1Å; D513-Q515 PolarHBondContact O-N 3.31Å; D513-Q515 WeakPolarHBondContact OD1-CB 3.46Å; D513-Q515 PolarHBondContact OD1-N 3.03Å; D513-E516 HydrophobicContact CB-CG 4.09Å
514	P	88.8	Confident	93.3	Very high	69 Å²	69	49 Å²	49	45%	0.448	25%	0.245	S	C	.	.	H	α-helix	trans	-65.9	-22.3	176.6	-20.5	34.2	0	0	0	113.8	G512 E516 V517 K518	G512-P514 VanDerWaalsContact O-CD 3.25Å; G512-P514 WeakPolarHBondContact O-CD 3.45Å; P514-E516 VanDerWaalsContact C-N 3.33Å; P514-E516 PolarHBondContact O-N 3.17Å; P514-V517 PolarHBondContact O-N 3.45Å; P514-K518 WeakPolarHBondContact O-CB 3.4Å; P514-K518 PolarHBondContact O-N 2.83Å
515	Q	90.9	Very high	93.4	Very high	112 Å²	112	49 Å²	49	52%	0.523	25%	0.245	S	C	.	.	H	α-helix	trans	-69	-31.8	-178.8	-62.8	-56.8	-39.5	0	0	112.6	D513 K518 R519	D513-Q515 PolarHBondContact O-N 3.31Å; D513-Q515 WeakPolarHBondContact OD1-CB 3.46Å; D513-Q515 PolarHBondContact OD1-N 3.03Å; Q515-K518 PolarHBondContact O-N 3.05Å; Q515-R519 PolarHBondContact O-N 3.07Å
516	E	91.5	Very high	93.5	Very high	26 Å²	26	49.5 Å²	49.5	12%	0.121	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-46.7	176.4	-64.2	174.9	174.1	0	0	110.6	T482 Q484 D513 P514	T482-E516 HydrophobicContact CG2-CB 3.98Å; Q484-E516 PolarHBondContact NE2-O 2.86Å; D513-E516 HydrophobicContact CB-CG 4.09Å; P514-E516 VanDerWaalsContact C-N 3.33Å; P514-E516 PolarHBondContact O-N 3.17Å
517	V	93	Very high	93.6	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.018	23%	0.232	C	C	.	.	H	α-helix	trans	-67.5	-42.9	176.8	179.4	0	0	0	0	110.3	T482 P514 R519 D520 L521 V573	T482-V517 HydrophobicContact CG2-CG2 3.89Å; P514-V517 PolarHBondContact O-N 3.45Å; V517-R519 VanDerWaalsContact C-N 3.27Å; V517-R519 PolarHBondContact O-N 3.28Å; V517-D520 WeakPolarHBondContact O-CB 3.31Å; V517-D520 PolarHBondContact O-N 3.18Å; V517-D520 VanDerWaalsContact O-N 3.12Å; V517-L521 HydrophobicContact CG1-CD1 4.12Å; V517-L521 HydrophobicContact CG1-CG 4.26Å; V517-L521 WeakPolarHBondContact O-CG 3.12Å; V517-L521 PolarHBondContact O-N 3.11Å; V517-V573 HydrophobicContact CB-CG1 4.2Å; V517-V573 HydrophobicContact CG1-CG1 3.76Å
518	K	93.6	Very high	93.7	Very high	68 Å²	68	46 Å²	46	30%	0.296	23%	0.232	S	C	.	.	H	α-helix	trans	-58.1	-39.7	179.8	-169	-179.5	-178.7	-166.1	0	112.2	P514 Q515 L521 E522	P514-K518 WeakPolarHBondContact O-CB 3.4Å; P514-K518 PolarHBondContact O-N 2.83Å; Q515-K518 PolarHBondContact O-N 3.05Å; K518-L521 PolarHBondContact O-N 3.49Å; K518-E522 VanDerWaalsContact CE-OE1 3.23Å; K518-E522 WeakPolarHBondContact CE-OE1 3.21Å; K518-E522 HydrophobicContact CG-CG 4.45Å; K518-E522 IonicContact NZ-OE1 2.9Å; K518-E522 WeakPolarHBondContact O-CB 3.16Å; K518-E522 WeakPolarHBondContact O-CG 3.45Å; K518-E522 PolarHBondContact O-N 3.04Å
519	R	95	Very high	93.8	Very high	128 Å²	128	43.4 Å²	43.4	48%	0.483	22%	0.218	S	C	.	.	H	α-helix	trans	-59.6	-46.1	175.8	-172.4	-179.7	-63	147.4	1.5	111.9	Q515 V517 L521 E522 D523	Q515-R519 PolarHBondContact O-N 3.07Å; V517-R519 VanDerWaalsContact C-N 3.27Å; V517-R519 PolarHBondContact O-N 3.28Å; R519-L521 VanDerWaalsContact C-N 3.33Å; R519-L521 PolarHBondContact O-N 3.22Å; R519-E522 PolarHBondContact O-N 3.44Å; R519-D523 PolarHBondContact O-N 3.2Å
520	D	96.5	Very high	93.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.3	-41.4	176.1	-75.6	4.3	0	0	0	111.2	H476 T482 H483 Q484 L486 V517 E522 D523 L524	H476-D520 IonicContact CD2-OD2 3.98Å; H476-D520 IonicContact CE1-OD2 2.99Å; H476-D520 IonicContact NE2-OD2 3.71Å; H476-D520 PolarHBondContact NE2-OD2 3.32Å; T482-D520 WeakPolarHBondContact CA-OD2 3.42Å; T482-D520 WeakPolarHBondContact CB-OD2 3.41Å; H483-D520 PolarHBondContact N-OD2 3.3Å; Q484-D520 WeakPolarHBondContact CA-OD1 3.48Å; Q484-D520 PolarHBondContact N-OD1 3.46Å; Q484-D520 PolarHBondContact NE2-OD1 3.32Å; L486-D520 HydrophobicContact CD1-CB 3.95Å; L486-D520 WeakPolarHBondContact CD1-O 3.31Å; V517-D520 WeakPolarHBondContact O-CB 3.31Å; V517-D520 PolarHBondContact O-N 3.18Å; V517-D520 VanDerWaalsContact O-N 3.12Å; D520-E522 PolarHBondContact O-N 3.45Å; D520-D523 PolarHBondContact O-N 3.43Å; D520-L524 VanDerWaalsContact O-CB 3.25Å; D520-L524 WeakPolarHBondContact O-CB 3.47Å; D520-L524 PolarHBondContact O-N 2.62Å
521	L	96.6	Very high	94.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-65.4	-38.4	177.8	-62.4	176.7	0	0	0	112.4	V517 K518 R519 L524 G525 L566 P569 V573 C576 L577	V517-L521 HydrophobicContact CG1-CD1 4.12Å; V517-L521 HydrophobicContact CG1-CG 4.26Å; V517-L521 WeakPolarHBondContact O-CG 3.12Å; V517-L521 PolarHBondContact O-N 3.11Å; K518-L521 PolarHBondContact O-N 3.49Å; R519-L521 VanDerWaalsContact C-N 3.33Å; R519-L521 PolarHBondContact O-N 3.22Å; L521-L524 PolarHBondContact O-N 3.45Å; L521-G525 PolarHBondContact O-N 2.75Å; L521-L566 HydrophobicContact CB-CD2 4.47Å; L521-L566 HydrophobicContact CD2-CD2 4.03Å; L521-P569 HydrophobicContact CD1-CB 4.07Å; L521-P569 HydrophobicContact CD1-CG 4.08Å; L521-V573 HydrophobicContact CD1-CG1 3.69Å; L521-C576 VanDerWaalsContact CD1-SG 3.52Å; L521-L577 HydrophobicContact CD2-CD1 4.01Å; L521-L577 HydrophobicContact CD2-CD2 3.61Å; L521-L577 HydrophobicContact CD2-CG 3.76Å
522	E	97.1	Very high	94.7	Very high	43 Å²	43	29.7 Å²	29.7	20%	0.201	15%	0.152	C	C	.	.	H	α-helix	trans	-67.7	-38.9	175.7	-76	-177.9	177.1	0	0	112.6	K518 R519 D520 G525 R526 N547 F567	K518-E522 VanDerWaalsContact CE-OE1 3.23Å; K518-E522 WeakPolarHBondContact CE-OE1 3.21Å; K518-E522 HydrophobicContact CG-CG 4.45Å; K518-E522 IonicContact NZ-OE1 2.9Å; K518-E522 WeakPolarHBondContact O-CB 3.16Å; K518-E522 WeakPolarHBondContact O-CG 3.45Å; K518-E522 PolarHBondContact O-N 3.04Å; R519-E522 PolarHBondContact O-N 3.44Å; D520-E522 PolarHBondContact O-N 3.45Å; E522-G525 PolarHBondContact O-N 3.3Å; E522-R526 WeakPolarHBondContact O-CG 3.45Å; E522-R526 PolarHBondContact O-N 2.96Å; E522-R526 PolarHBondContact O-NH1 3.29Å; E522-N547 PolarHBondContact OE1-ND2 3.1Å; E522-F567 HydrophobicContact CB-CD1 4.32Å; E522-F567 HydrophobicContact CB-CE1 4.35Å; E522-F567 HydrophobicContact CG-CD1 3.98Å; E522-F567 HydrophobicContact CG-CE1 4.47Å; E522-F567 WeakPolarHBondContact O-CE1 3.39Å
523	D	98	Very high	95	Very high	15 Å²	15	30.7 Å²	30.7	8%	0.08	15%	0.146	C	C	.	.	H	α-helix	trans	-69	-38.3	172.7	-79.6	-4.8	0	0	0	111.1	L486 R519 D520 G525 R526 L527 K543	L486-D523 HydrophobicContact CB-CB 3.81Å; R519-D523 PolarHBondContact O-N 3.2Å; D520-D523 PolarHBondContact O-N 3.43Å; D523-G525 VanDerWaalsContact C-N 3.34Å; D523-G525 PolarHBondContact O-N 3.24Å; D523-R526 PolarHBondContact O-N 2.86Å; D523-L527 WeakPolarHBondContact O-CG 3.31Å; D523-L527 PolarHBondContact O-N 3.24Å; D523-K543 WeakPolarHBondContact OD1-CE 3.46Å; D523-K543 IonicContact OD1-NZ 2.94Å; D523-K543 PolarHBondContact OD1-NZ 3.19Å; D523-K543 WeakPolarHBondContact OD2-CE 3.41Å; D523-K543 IonicContact OD2-NZ 2.86Å; D523-K543 PolarHBondContact OD2-NZ 3.23Å
524	L	98.1	Very high	95.2	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.4	-39.7	174.5	-173.9	60.4	0	0	0	111.9	L468 F469 L486 D520 L521 R526 L527 V528 L566 L577	L468-L524 HydrophobicContact CD2-CD1 3.5Å; L468-L524 VanDerWaalsContact CD2-CD1 3.5Å; L468-L524 HydrophobicContact CG-CD1 3.79Å; F469-L524 HydrophobicContact CD1-CD2 4.35Å; F469-L524 HydrophobicContact CD2-CD1 3.85Å; F469-L524 HydrophobicContact CD2-CD2 3.84Å; F469-L524 HydrophobicContact CD2-CG 4.1Å; F469-L524 HydrophobicContact CE1-CD2 4.27Å; F469-L524 HydrophobicContact CE2-CD1 3.75Å; F469-L524 HydrophobicContact CE2-CD2 3.78Å; F469-L524 HydrophobicContact CE2-CG 3.71Å; F469-L524 HydrophobicContact CG-CD2 4.16Å; F469-L524 HydrophobicContact CZ-CD2 4.03Å; F469-L524 HydrophobicContact CZ-CG 4.16Å; L486-L524 HydrophobicContact CD1-CB 4.32Å; D520-L524 VanDerWaalsContact O-CB 3.25Å; D520-L524 WeakPolarHBondContact O-CB 3.47Å; D520-L524 PolarHBondContact O-N 2.62Å; L521-L524 PolarHBondContact O-N 3.45Å; L524-R526 VanDerWaalsContact C-N 3.33Å; L524-R526 PolarHBondContact O-N 3.21Å; L524-L527 WeakPolarHBondContact O-CB 3.45Å; L524-L527 PolarHBondContact O-N 2.85Å; L524-V528 WeakPolarHBondContact O-CG2 3.14Å; L524-V528 PolarHBondContact O-N 3.13Å; L524-L566 HydrophobicContact CD2-CD2 4.12Å; L524-L566 HydrophobicContact CG-CD1 4.3Å; L524-L577 HydrophobicContact CD2-CD1 4.39Å; L524-L577 HydrophobicContact CD2-CD2 3.64Å
525	G	97.9	Very high	95.3	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.4	-37.8	175.3	0	0	0	0	0	112.7	L521 E522 D523 V528 L529 I563	L521-G525 PolarHBondContact O-N 2.75Å; E522-G525 PolarHBondContact O-N 3.3Å; D523-G525 VanDerWaalsContact C-N 3.34Å; D523-G525 PolarHBondContact O-N 3.24Å; G525-V528 PolarHBondContact O-N 2.85Å; G525-L529 PolarHBondContact O-N 2.94Å; G525-I563 WeakPolarHBondContact O-CD1 3.48Å; G525-I563 WeakPolarHBondContact O-CG1 3.44Å
526	R	98.4	Very high	95.4	Very high	17 Å²	17	25.1 Å²	25.1	6%	0.064	12%	0.12	C	C	.	.	H	α-helix	trans	-68.3	-37.8	172.8	-69.3	172.2	173.3	80.2	-0.2	111.8	E522 D523 L524 V528 L529 Y530 F539 L542 Q545 N547 V550 F567	E522-R526 WeakPolarHBondContact O-CG 3.45Å; E522-R526 PolarHBondContact O-N 2.96Å; E522-R526 PolarHBondContact O-NH1 3.29Å; D523-R526 PolarHBondContact O-N 2.86Å; L524-R526 VanDerWaalsContact C-N 3.33Å; L524-R526 PolarHBondContact O-N 3.21Å; R526-V528 VanDerWaalsContact C-N 3.35Å; R526-L529 PolarHBondContact O-N 3.45Å; R526-Y530 WeakPolarHBondContact O-CB 3.37Å; R526-Y530 PolarHBondContact O-N 3.08Å; R526-F539 HydrophobicContact CB-CE2 3.71Å; R526-F539 HydrophobicContact CB-CZ 4.24Å; R526-L542 HydrophobicContact CB-CB 4.34Å; R526-L542 WeakPolarHBondContact CD-O 3.44Å; R526-L542 HydrophobicContact CG-CB 4.41Å; R526-L542 PolarHBondContact NE-O 2.81Å; R526-Q545 PolarHBondContact NH2-O 3.36Å; R526-Q545 VanDerWaalsContact NH2-O 3.16Å; R526-N547 PolarHBondContact NH1-OD1 3.21Å; R526-N547 PolarHBondContact NH2-OD1 2.71Å; R526-V550 HydrophobicContact CG-CG1 4.31Å; R526-V550 HydrophobicContact CG-CG2 4.39Å; R526-F567 HydrophobicContact CG-CZ 4.42Å
527	L	98.2	Very high	95.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.1	-38.8	175.7	-80.7	167.7	0	0	0	112.1	L468 L486 P488 I491 D523 L524 L529 Y530 V531 F539	L468-L527 HydrophobicContact CD2-CB 4.41Å; L468-L527 HydrophobicContact CD2-CD1 3.98Å; L486-L527 HydrophobicContact CB-CD1 3.78Å; P488-L527 HydrophobicContact CG-CD2 3.86Å; I491-L527 HydrophobicContact CD1-CD1 3.97Å; I491-L527 HydrophobicContact CD1-CD2 3.82Å; D523-L527 WeakPolarHBondContact O-CG 3.31Å; D523-L527 PolarHBondContact O-N 3.24Å; L524-L527 WeakPolarHBondContact O-CB 3.45Å; L524-L527 PolarHBondContact O-N 2.85Å; L527-L529 VanDerWaalsContact C-N 3.32Å; L527-L529 PolarHBondContact O-N 3.08Å; L527-Y530 PolarHBondContact O-N 2.89Å; L527-V531 WeakPolarHBondContact O-CG2 3.4Å; L527-V531 PolarHBondContact O-N 3.45Å; L527-F539 HydrophobicContact CB-CE2 4.39Å; L527-F539 HydrophobicContact CD2-CD2 4.19Å; L527-F539 HydrophobicContact CD2-CE2 3.71Å; L527-F539 HydrophobicContact CD2-CZ 4.06Å; L527-F539 HydrophobicContact CG-CE2 3.62Å; L527-F539 HydrophobicContact CG-CZ 3.81Å
528	V	98.1	Very high	95.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-54.4	-51	172.1	171.3	0	0	0	0	110	L465 F469 L524 G525 R526 V531 V532 T559 L562 I563 L566 F585	L465-V528 HydrophobicContact CD1-CB 4.37Å; L465-V528 HydrophobicContact CD1-CG1 4.21Å; L465-V528 HydrophobicContact CD1-CG2 4.27Å; L465-V528 HydrophobicContact CD2-CB 4.45Å; L465-V528 HydrophobicContact CD2-CG2 3.97Å; F469-V528 HydrophobicContact CE2-CG2 3.75Å; F469-V528 HydrophobicContact CZ-CG2 3.9Å; L524-V528 WeakPolarHBondContact O-CG2 3.14Å; L524-V528 PolarHBondContact O-N 3.13Å; G525-V528 PolarHBondContact O-N 2.85Å; R526-V528 VanDerWaalsContact C-N 3.35Å; V528-V531 PolarHBondContact O-N 3.21Å; V528-V532 HydrophobicContact CG1-CG2 4.46Å; V528-V532 WeakPolarHBondContact O-CB 3.32Å; V528-V532 VanDerWaalsContact O-CG2 3.24Å; V528-V532 WeakPolarHBondContact O-CG2 3.46Å; V528-V532 PolarHBondContact O-N 2.96Å; V528-T559 HydrophobicContact CG1-CG2 4.08Å; V528-L562 HydrophobicContact CG1-CD2 4.16Å; V528-L562 HydrophobicContact CG2-CD2 4.23Å; V528-I563 HydrophobicContact CB-CD1 4.26Å; V528-I563 HydrophobicContact CB-CG1 3.99Å; V528-I563 HydrophobicContact CG1-CD1 4Å; V528-I563 HydrophobicContact CG1-CG1 3.81Å; V528-L566 HydrophobicContact CG2-CD1 4.21Å; V528-F585 HydrophobicContact CG1-CE2 4.45Å; V528-F585 HydrophobicContact CG1-CZ 4.4Å
529	L	97.3	Very high	95.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.1	-42.3	179.8	-172.8	63.7	0	0	0	112.3	G525 R526 L527 V531 V532 K533 L542 V550 L553 I563	G525-L529 PolarHBondContact O-N 2.94Å; R526-L529 PolarHBondContact O-N 3.45Å; L527-L529 VanDerWaalsContact C-N 3.32Å; L527-L529 PolarHBondContact O-N 3.08Å; L529-V531 VanDerWaalsContact C-N 3.34Å; L529-V531 PolarHBondContact O-N 3.31Å; L529-V532 PolarHBondContact O-N 3.03Å; L529-K533 HydrophobicContact CD1-CG 3.93Å; L529-K533 HydrophobicContact CG-CG 4.19Å; L529-K533 VanDerWaalsContact O-CB 3.29Å; L529-K533 WeakPolarHBondContact O-CB 3.3Å; L529-K533 VanDerWaalsContact O-CG 3.29Å; L529-K533 WeakPolarHBondContact O-CG 3.42Å; L529-K533 PolarHBondContact O-N 3.26Å; L529-L542 HydrophobicContact CB-CD1 4.48Å; L529-L542 HydrophobicContact CD2-CD2 3.73Å; L529-V550 HydrophobicContact CB-CG1 4.42Å; L529-V550 HydrophobicContact CD2-CG1 3.74Å; L529-L553 HydrophobicContact CD2-CB 3.72Å; L529-L553 HydrophobicContact CD2-CD1 4.31Å; L529-I563 HydrophobicContact CB-CD1 3.81Å; L529-I563 HydrophobicContact CD1-CD1 4.5Å
530	Y	97	Very high	95.8	Very high	6 Å²	6	22.9 Å²	22.9	2%	0.024	12%	0.121	C	C	.	.	H	α-helix	trans	-56.1	-48.1	177.9	178.5	-94.3	0	0	0	111.6	E442 L445 P488 R526 L527 K533 K534 G535 I537 F539 L542	E442-Y530 WeakPolarHBondContact CG-OH 2.94Å; L445-Y530 HydrophobicContact CD1-CD1 4.01Å; L445-Y530 HydrophobicContact CD1-CE1 3.58Å; P488-Y530 HydrophobicContact CB-CD1 4.24Å; P488-Y530 HydrophobicContact CB-CE1 3.57Å; P488-Y530 HydrophobicContact CG-CD1 3.58Å; P488-Y530 HydrophobicContact CG-CD2 4.23Å; P488-Y530 HydrophobicContact CG-CE1 3.3Å; P488-Y530 HydrophobicContact CG-CE2 4Å; P488-Y530 HydrophobicContact CG-CG 4.04Å; R526-Y530 WeakPolarHBondContact O-CB 3.37Å; R526-Y530 PolarHBondContact O-N 3.08Å; L527-Y530 PolarHBondContact O-N 2.89Å; Y530-K533 CarbonylContact O-C 3.51Å; Y530-K533 PolarHBondContact O-N 3.4Å; Y530-K534 PolarHBondContact O-N 2.89Å; Y530-G535 PolarHBondContact O-N 2.81Å; Y530-I537 VanDerWaalsContact CD2-O 3.31Å; Y530-I537 WeakPolarHBondContact CD2-O 3.37Å; Y530-F539 HydrophobicContact CD2-CB 4.08Å; Y530-F539 HydrophobicContact CD2-CD2 4.35Å; Y530-F539 HydrophobicContact CE2-CB 4.2Å; Y530-F539 HydrophobicContact CG-CD2 4.33Å; Y530-L542 HydrophobicContact CD2-CD1 4.47Å
531	V	95.3	Very high	95.8	Very high	1 Å²	1	28 Å²	28	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-66.9	-47.1	179.9	175.4	0	0	0	0	111.3	L441 L445 A461 L465 L527 V528 L529 K533 K534	L441-V531 HydrophobicContact CD2-CG2 3.78Å; L445-V531 HydrophobicContact CD1-CG2 4.49Å; A461-V531 HydrophobicContact CB-CG1 3.71Å; L465-V531 HydrophobicContact CD1-CB 4.18Å; L465-V531 HydrophobicContact CD1-CG1 4.17Å; L465-V531 HydrophobicContact CD2-CB 4.3Å; L465-V531 HydrophobicContact CD2-CG2 4.11Å; L465-V531 HydrophobicContact CG-CB 4.28Å; L465-V531 HydrophobicContact CG-CG1 4.2Å; L465-V531 HydrophobicContact CG-CG2 4.46Å; L527-V531 WeakPolarHBondContact O-CG2 3.4Å; L527-V531 PolarHBondContact O-N 3.45Å; V528-V531 PolarHBondContact O-N 3.21Å; L529-V531 VanDerWaalsContact C-N 3.34Å; L529-V531 PolarHBondContact O-N 3.31Å; V531-K533 PolarHBondContact O-N 3.01Å; V531-K534 WeakPolarHBondContact O-CA 3.49Å; V531-K534 PolarHBondContact O-N 2.85Å
532	V	93.6	Very high	95.8	Very high	27 Å²	27	28 Å²	28	16%	0.164	15%	0.145	C	C	.	.	H	α-helix	trans	-63.9	-31.5	-179.8	173.8	0	0	0	0	111.7	L465 V528 L529 K534 P555 T559 F585	L465-V532 HydrophobicContact CD1-CG2 4.45Å; V528-V532 HydrophobicContact CG1-CG2 4.46Å; V528-V532 WeakPolarHBondContact O-CB 3.32Å; V528-V532 VanDerWaalsContact O-CG2 3.24Å; V528-V532 WeakPolarHBondContact O-CG2 3.46Å; V528-V532 PolarHBondContact O-N 2.96Å; L529-V532 PolarHBondContact O-N 3.03Å; V532-K534 PolarHBondContact O-N 3.22Å; V532-P555 HydrophobicContact CG1-CG 3.46Å; V532-P555 VanDerWaalsContact CG1-CG 3.46Å; V532-T559 HydrophobicContact CG1-CG2 4.48Å; V532-T559 HydrophobicContact CG2-CG2 4.32Å; V532-F585 HydrophobicContact CG2-CE2 3.7Å; V532-F585 HydrophobicContact CG2-CZ 3.77Å
533	K	92.3	Very high	95.8	Very high	61 Å²	61	29.6 Å²	29.6	27%	0.265	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	6.5	173.1	-67.1	-72.1	-175.1	176.4	0	113.1	L529 Y530 V531 G535 S536 I537 L553	L529-K533 HydrophobicContact CD1-CG 3.93Å; L529-K533 HydrophobicContact CG-CG 4.19Å; L529-K533 VanDerWaalsContact O-CB 3.29Å; L529-K533 WeakPolarHBondContact O-CB 3.3Å; L529-K533 VanDerWaalsContact O-CG 3.29Å; L529-K533 WeakPolarHBondContact O-CG 3.42Å; L529-K533 PolarHBondContact O-N 3.26Å; Y530-K533 CarbonylContact O-C 3.51Å; Y530-K533 PolarHBondContact O-N 3.4Å; V531-K533 PolarHBondContact O-N 3.01Å; K533-G535 PolarHBondContact O-N 2.86Å; K533-S536 VanDerWaalsContact O-CB 3.24Å; K533-S536 WeakPolarHBondContact O-CB 3.47Å; K533-S536 PolarHBondContact O-N 2.82Å; K533-S536 PolarHBondContact O-OG 2.88Å; K533-I537 HydrophobicContact CG-CD1 4.46Å; K533-L553 WeakPolarHBondContact CE-O 3.5Å; K533-L553 PolarHBondContact NZ-O 3.35Å; K533-L553 VanDerWaalsContact NZ-O 3.14Å
534	K	91.8	Very high	95.7	Very high	55 Å²	55	33.2 Å²	33.2	24%	0.239	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	38.9	-178.2	-54.7	-171.7	176.5	-167.4	0	112.8	R449 D458 Y530 V531 V532 S536	R449-K534 PolarHBondContact NE-O 2.76Å; R449-K534 PolarHBondContact NH2-O 3.4Å; R449-K534 VanDerWaalsContact NH2-O 3.11Å; D458-K534 WeakPolarHBondContact OD2-CE 3.32Å; Y530-K534 PolarHBondContact O-N 2.89Å; V531-K534 WeakPolarHBondContact O-CA 3.49Å; V531-K534 PolarHBondContact O-N 2.85Å; V532-K534 PolarHBondContact O-N 3.22Å; K534-S536 PolarHBondContact O-N 2.67Å
535	G	92.1	Very high	95.6	Very high	6 Å²	6	35.7 Å²	35.7	6%	0.062	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	12.2	-177.5	0	0	0	0	0	115.4	R449 Y530 K533 I537	R449-G535 PolarHBondContact NH2-O 2.94Å; Y530-G535 PolarHBondContact O-N 2.81Å; K533-G535 PolarHBondContact O-N 2.86Å; G535-I537 PolarHBondContact O-N 2.95Å
536	S	91.6	Very high	95.5	Very high	72 Å²	72	38.3 Å²	38.3	50%	0.503	21%	0.213	S	C	.	.			trans	-61.4	-19.1	-175.5	76.4	0	0	0	0	113.8	K533 K534	K533-S536 VanDerWaalsContact O-CB 3.24Å; K533-S536 WeakPolarHBondContact O-CB 3.47Å; K533-S536 PolarHBondContact O-N 2.82Å; K533-S536 PolarHBondContact O-OG 2.88Å; K534-S536 PolarHBondContact O-N 2.67Å
537	I	93.3	Very high	95.4	Very high	29 Å²	29	39.1 Å²	39.1	15%	0.149	22%	0.218	C	C	.	.	S	Bend	trans	-113.5	130.4	171.7	-52.7	173.6	0	0	0	105.9	Y530 K533 G535 E541 L542 L553	Y530-I537 VanDerWaalsContact CD2-O 3.31Å; Y530-I537 WeakPolarHBondContact CD2-O 3.37Å; K533-I537 HydrophobicContact CG-CD1 4.46Å; G535-I537 PolarHBondContact O-N 2.95Å; I537-E541 HydrophobicContact CG2-CB 3.98Å; I537-L542 HydrophobicContact CB-CD2 4.32Å; I537-L542 HydrophobicContact CB-CG 4.45Å; I537-L542 HydrophobicContact CD1-CD2 4.4Å; I537-L542 HydrophobicContact CG2-CD2 3.73Å; I537-L542 HydrophobicContact CG2-CG 3.91Å; I537-L553 HydrophobicContact CD1-CD1 4.23Å
538	S	95.9	Very high	95.4	Very high	36 Å²	36	43.4 Å²	43.4	25%	0.252	24%	0.238	S	C	.	.			trans	-63.5	150.4	178.5	64.9	0	0	0	0	110.9	E540 E541 L542	S538-E540 VanDerWaalsContact C-N 3.26Å; S538-E540 PolarHBondContact O-N 2.99Å; S538-E541 PolarHBondContact O-N 3.24Å; S538-E541 VanDerWaalsContact OG-CB 3.31Å; S538-E541 WeakPolarHBondContact OG-CB 3.48Å; S538-E541 WeakPolarHBondContact OG-CG 3.46Å; S538-E541 PolarHBondContact OG-N 3.14Å; S538-E541 PolarHBondContact OG-OE1 2.92Å; S538-L542 PolarHBondContact O-N 2.86Å
539	F	97	Very high	95.3	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.009	26%	0.256	C	S	.	.	H	α-helix	trans	-69.3	-30.7	-177.6	-169.1	-112.1	0	0	0	111.7	L486 Q487 P488 R526 L527 Y530 L542 K543	L486-F539 VanDerWaalsContact O-CE1 3.26Å; L486-F539 WeakPolarHBondContact O-CE1 3.34Å; L486-F539 VanDerWaalsContact O-CZ 3.31Å; L486-F539 WeakPolarHBondContact O-CZ 3.23Å; Q487-F539 HydrophobicContact CB-CD1 3.75Å; Q487-F539 HydrophobicContact CB-CE1 3.53Å; Q487-F539 HydrophobicContact CB-CZ 4.45Å; P488-F539 VanDerWaalsContact CD-CG 3.45Å; P488-F539 HydrophobicContact CG-CB 3.91Å; P488-F539 HydrophobicContact CG-CD2 4.12Å; P488-F539 HydrophobicContact CG-CG 3.94Å; R526-F539 HydrophobicContact CB-CE2 3.71Å; R526-F539 HydrophobicContact CB-CZ 4.24Å; L527-F539 HydrophobicContact CB-CE2 4.39Å; L527-F539 HydrophobicContact CD2-CD2 4.19Å; L527-F539 HydrophobicContact CD2-CE2 3.71Å; L527-F539 HydrophobicContact CD2-CZ 4.06Å; L527-F539 HydrophobicContact CG-CE2 3.62Å; L527-F539 HydrophobicContact CG-CZ 3.81Å; Y530-F539 HydrophobicContact CD2-CB 4.08Å; Y530-F539 HydrophobicContact CD2-CD2 4.35Å; Y530-F539 HydrophobicContact CE2-CB 4.2Å; Y530-F539 HydrophobicContact CG-CD2 4.33Å; F539-L542 PolarHBondContact O-N 3.36Å; F539-K543 HydrophobicContact CD1-CD 4.12Å; F539-K543 HydrophobicContact CD1-CG 4.36Å; F539-K543 HydrophobicContact CE1-CD 3.72Å; F539-K543 HydrophobicContact CE1-CG 4.07Å; F539-K543 HydrophobicContact CZ-CD 4.44Å; F539-K543 HydrophobicContact CZ-CG 4.42Å; F539-K543 PolarHBondContact O-N 3.23Å
540	E	96	Very high	95.3	Very high	110 Å²	110	47.2 Å²	47.2	51%	0.514	26%	0.256	S	S	.	.	H	α-helix	trans	-63.2	-42.2	173.5	-62.8	76.2	-167.2	0	0	111.6	S538 L542 K543 A544	S538-E540 VanDerWaalsContact C-N 3.26Å; S538-E540 PolarHBondContact O-N 2.99Å; E540-L542 VanDerWaalsContact C-N 3.32Å; E540-L542 PolarHBondContact O-N 3.17Å; E540-K543 PolarHBondContact O-N 2.99Å; E540-A544 PolarHBondContact O-N 2.86Å
541	E	96.7	Very high	95.3	Very high	109 Å²	109	47.4 Å²	47.4	51%	0.509	26%	0.258	S	S	.	.	H	α-helix	trans	-62.3	-39.2	174	-78.9	164.7	-142.1	0	0	111.7	I537 S538 A544 Q545	I537-E541 HydrophobicContact CG2-CB 3.98Å; S538-E541 PolarHBondContact O-N 3.24Å; S538-E541 VanDerWaalsContact OG-CB 3.31Å; S538-E541 WeakPolarHBondContact OG-CB 3.48Å; S538-E541 WeakPolarHBondContact OG-CG 3.46Å; S538-E541 PolarHBondContact OG-N 3.14Å; S538-E541 PolarHBondContact OG-OE1 2.92Å; E541-A544 PolarHBondContact O-N 2.9Å; E541-Q545 WeakPolarHBondContact O-CG 3.33Å; E541-Q545 PolarHBondContact O-N 2.74Å; E541-Q545 PolarHBondContact O-NE2 3.36Å
542	L	96.9	Very high	95.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-67.9	-36.2	175.5	-64.9	178.8	0	0	0	112.3	R526 L529 Y530 I537 S538 F539 E540 A544 Q545 L553	R526-L542 HydrophobicContact CB-CB 4.34Å; R526-L542 WeakPolarHBondContact CD-O 3.44Å; R526-L542 HydrophobicContact CG-CB 4.41Å; R526-L542 PolarHBondContact NE-O 2.81Å; L529-L542 HydrophobicContact CB-CD1 4.48Å; L529-L542 HydrophobicContact CD2-CD2 3.73Å; Y530-L542 HydrophobicContact CD2-CD1 4.47Å; I537-L542 HydrophobicContact CB-CD2 4.32Å; I537-L542 HydrophobicContact CB-CG 4.45Å; I537-L542 HydrophobicContact CD1-CD2 4.4Å; I537-L542 HydrophobicContact CG2-CD2 3.73Å; I537-L542 HydrophobicContact CG2-CG 3.91Å; S538-L542 PolarHBondContact O-N 2.86Å; F539-L542 PolarHBondContact O-N 3.36Å; E540-L542 VanDerWaalsContact C-N 3.32Å; E540-L542 PolarHBondContact O-N 3.17Å; L542-A544 VanDerWaalsContact C-N 3.34Å; L542-Q545 PolarHBondContact O-N 2.9Å; L542-L553 HydrophobicContact CD2-CD1 4.43Å
543	K	95.6	Very high	95.4	Very high	76 Å²	76	57.3 Å²	57.3	33%	0.33	30%	0.297	S	S	.	.	H	α-helix	trans	-68.2	-32	174.3	-81.2	-168.7	155.4	-179.9	0	112.7	D523 F539 E540 Q545	D523-K543 WeakPolarHBondContact OD1-CE 3.46Å; D523-K543 IonicContact OD1-NZ 2.94Å; D523-K543 PolarHBondContact OD1-NZ 3.19Å; D523-K543 WeakPolarHBondContact OD2-CE 3.41Å; D523-K543 IonicContact OD2-NZ 2.86Å; D523-K543 PolarHBondContact OD2-NZ 3.23Å; F539-K543 HydrophobicContact CD1-CD 4.12Å; F539-K543 HydrophobicContact CD1-CG 4.36Å; F539-K543 HydrophobicContact CE1-CD 3.72Å; F539-K543 HydrophobicContact CE1-CG 4.07Å; F539-K543 HydrophobicContact CZ-CD 4.44Å; F539-K543 HydrophobicContact CZ-CG 4.42Å; F539-K543 PolarHBondContact O-N 3.23Å; E540-K543 PolarHBondContact O-N 2.99Å; K543-Q545 VanDerWaalsContact C-N 3.3Å; K543-Q545 PolarHBondContact O-N 3.19Å
544	A	95.8	Very high	95.5	Very high	91 Å²	91	55.2 Å²	55.2	75%	0.752	29%	0.29	S	S	*	.	H	α-helix	trans	-73.2	-20.9	177	0	0	0	0	0	113.7	E540 E541 L542	E540-A544 PolarHBondContact O-N 2.86Å; E541-A544 PolarHBondContact O-N 2.9Å; L542-A544 VanDerWaalsContact C-N 3.34Å
545	Q	96.2	Very high	95.5	Very high	51 Å²	51	56.1 Å²	56.1	24%	0.238	30%	0.301	C	S	.	.	S	Bend	trans	-85.1	150.9	-179.8	-71.4	174.1	38.8	0	0	112.8	R526 E541 L542 K543 E549 V550	R526-Q545 PolarHBondContact NH2-O 3.36Å; R526-Q545 VanDerWaalsContact NH2-O 3.16Å; E541-Q545 WeakPolarHBondContact O-CG 3.33Å; E541-Q545 PolarHBondContact O-N 2.74Å; E541-Q545 PolarHBondContact O-NE2 3.36Å; L542-Q545 PolarHBondContact O-N 2.9Å; K543-Q545 VanDerWaalsContact C-N 3.3Å; K543-Q545 PolarHBondContact O-N 3.19Å; Q545-E549 HydrophobicContact CB-CB 4.15Å; Q545-V550 HydrophobicContact CB-CG2 3.98Å
546	S	97.1	Very high	95.6	Very high	55 Å²	55	58.2 Å²	58.2	39%	0.385	31%	0.311	S	S	.	.			trans	-67.1	153.3	172.6	65	0	0	0	0	111.5	E548 E549 V550	S546-E548 PolarHBondContact O-N 3.37Å; S546-E548 VanDerWaalsContact O-N 3.16Å; S546-E549 WeakPolarHBondContact CB-OE2 3.37Å; S546-E549 PolarHBondContact N-OE2 3.49Å; S546-E549 WeakPolarHBondContact O-CB 3.49Å; S546-E549 PolarHBondContact O-N 3.14Å; S546-E549 VanDerWaalsContact OG-CG 3.22Å; S546-E549 WeakPolarHBondContact OG-CG 3.27Å; S546-E549 PolarHBondContact OG-N 3.24Å; S546-E549 PolarHBondContact OG-OE2 3.17Å; S546-V550 WeakPolarHBondContact O-CG2 3.34Å; S546-V550 PolarHBondContact O-N 2.9Å; S546-V550 VanDerWaalsContact O-N 3.07Å
547	N	96.8	Very high	95.7	Very high	34 Å²	34	58 Å²	58	18%	0.182	30%	0.302	C	S	.	.	H	α-helix	trans	-53.4	-38.5	177.8	-68.4	5.2	0	0	0	111.8	E522 R526 V550 V551 F567	E522-N547 PolarHBondContact OE1-ND2 3.1Å; R526-N547 PolarHBondContact NH1-OD1 3.21Å; R526-N547 PolarHBondContact NH2-OD1 2.71Å; N547-V550 PolarHBondContact O-N 3.47Å; N547-V551 WeakPolarHBondContact O-CG2 3.34Å; N547-V551 PolarHBondContact O-N 2.96Å; N547-F567 HydrophobicContact CB-CB 4.4Å; N547-F567 HydrophobicContact CB-CD2 3.51Å; N547-F567 HydrophobicContact CB-CE2 3.8Å; N547-F567 HydrophobicContact CB-CG 3.96Å; N547-F567 HydrophobicContact CB-CZ 4.5Å; N547-F567 VanDerWaalsContact O-CE2 3.28Å; N547-F567 WeakPolarHBondContact O-CE2 3.15Å
548	E	96.4	Very high	95.8	Very high	90 Å²	90	57.1 Å²	57.1	42%	0.421	30%	0.298	S	S	.	.	H	α-helix	trans	-67.6	-35.4	177.8	-62.4	-56	146	0	0	113.5	S546 R552 H568	S546-E548 PolarHBondContact O-N 3.37Å; S546-E548 VanDerWaalsContact O-N 3.16Å; E548-R552 WeakPolarHBondContact O-CG 3.36Å; E548-R552 PolarHBondContact O-N 3.5Å; E548-H568 IonicContact OE1-CE1 2.72Å
549	E	96.6	Very high	95.8	Very high	80 Å²	80	55.4 Å²	55.4	37%	0.374	29%	0.286	S	S	.	.	H	α-helix	trans	-68.1	-44.3	175.1	-73.8	161.7	157	0	0	111	Q545 S546 V551 R552 L553	Q545-E549 HydrophobicContact CB-CB 4.15Å; S546-E549 WeakPolarHBondContact CB-OE2 3.37Å; S546-E549 PolarHBondContact N-OE2 3.49Å; S546-E549 WeakPolarHBondContact O-CB 3.49Å; S546-E549 PolarHBondContact O-N 3.14Å; S546-E549 VanDerWaalsContact OG-CG 3.22Å; S546-E549 WeakPolarHBondContact OG-CG 3.27Å; S546-E549 PolarHBondContact OG-N 3.24Å; S546-E549 PolarHBondContact OG-OE2 3.17Å; E549-V551 PolarHBondContact O-N 3.13Å; E549-R552 WeakPolarHBondContact O-CB 3.5Å; E549-R552 PolarHBondContact O-N 3.28Å; E549-R552 VanDerWaalsContact O-N 3.13Å; E549-L553 WeakPolarHBondContact O-CG 3.42Å; E549-L553 PolarHBondContact O-N 3.22Å; E549-L553 VanDerWaalsContact O-N 3.14Å
550	V	96.8	Very high	95.8	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.1	-45.2	177.4	177.2	0	0	0	0	110.9	R526 L529 Q545 S546 N547 R552 L553 I563 F567	R526-V550 HydrophobicContact CG-CG1 4.31Å; R526-V550 HydrophobicContact CG-CG2 4.39Å; L529-V550 HydrophobicContact CB-CG1 4.42Å; L529-V550 HydrophobicContact CD2-CG1 3.74Å; Q545-V550 HydrophobicContact CB-CG2 3.98Å; S546-V550 WeakPolarHBondContact O-CG2 3.34Å; S546-V550 PolarHBondContact O-N 2.9Å; S546-V550 VanDerWaalsContact O-N 3.07Å; N547-V550 PolarHBondContact O-N 3.47Å; V550-R552 VanDerWaalsContact C-N 3.31Å; V550-R552 PolarHBondContact O-N 3.32Å; V550-L553 PolarHBondContact O-N 3.06Å; V550-L553 VanDerWaalsContact O-N 3.16Å; V550-I563 HydrophobicContact CG1-CG2 4.31Å; V550-F567 HydrophobicContact CB-CE2 4.04Å; V550-F567 HydrophobicContact CB-CZ 4.21Å; V550-F567 HydrophobicContact CG1-CE2 4.08Å; V550-F567 HydrophobicContact CG1-CZ 3.91Å
551	V	96.9	Very high	95.9	Very high	11 Å²	11	55.1 Å²	55.1	7%	0.067	28%	0.284	C	S	.	.	H	α-helix	trans	-58.7	-42.7	175.6	172.5	0	0	0	0	111.1	N547 E549 L553 S554 K560 I563 H564 F567	N547-V551 WeakPolarHBondContact O-CG2 3.34Å; N547-V551 PolarHBondContact O-N 2.96Å; E549-V551 PolarHBondContact O-N 3.13Å; V551-L553 VanDerWaalsContact C-N 3.27Å; V551-L553 PolarHBondContact O-N 3.23Å; V551-S554 VanDerWaalsContact O-CB 3.27Å; V551-S554 WeakPolarHBondContact O-CB 3.3Å; V551-S554 PolarHBondContact O-N 2.84Å; V551-S554 PolarHBondContact O-OG 2.95Å; V551-K560 HydrophobicContact CG1-CG 3.74Å; V551-I563 HydrophobicContact CG2-CG2 3.88Å; V551-H564 HydrophobicContact CG1-CB 4.48Å; V551-H564 HydrophobicContact CG2-CB 4.34Å; V551-F567 HydrophobicContact CG2-CD2 3.68Å; V551-F567 HydrophobicContact CG2-CE2 3.82Å
552	R	95.3	Very high	95.9	Very high	172 Å²	172	49.9 Å²	49.9	65%	0.649	26%	0.26	S	S	*	.	H	α-helix	trans	-66.1	-23	179.1	-74.3	-171	-61.9	-110.3	8.1	114.3	E548 E549 V550 S554	E548-R552 WeakPolarHBondContact O-CG 3.36Å; E548-R552 PolarHBondContact O-N 3.5Å; E549-R552 WeakPolarHBondContact O-CB 3.5Å; E549-R552 PolarHBondContact O-N 3.28Å; E549-R552 VanDerWaalsContact O-N 3.13Å; V550-R552 VanDerWaalsContact C-N 3.31Å; V550-R552 PolarHBondContact O-N 3.32Å; R552-S554 VanDerWaalsContact C-N 3.3Å
553	L	95.9	Very high	96	Very high	63 Å²	63	49.9 Å²	49.9	33%	0.33	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-10.3	178.4	-71.6	177	0	0	0	114	L529 K533 I537 L542 E549 V550 V551	L529-L553 HydrophobicContact CD2-CB 3.72Å; L529-L553 HydrophobicContact CD2-CD1 4.31Å; K533-L553 WeakPolarHBondContact CE-O 3.5Å; K533-L553 PolarHBondContact NZ-O 3.35Å; K533-L553 VanDerWaalsContact NZ-O 3.14Å; I537-L553 HydrophobicContact CD1-CD1 4.23Å; L542-L553 HydrophobicContact CD2-CD1 4.43Å; E549-L553 WeakPolarHBondContact O-CG 3.42Å; E549-L553 PolarHBondContact O-N 3.22Å; E549-L553 VanDerWaalsContact O-N 3.14Å; V550-L553 PolarHBondContact O-N 3.06Å; V550-L553 VanDerWaalsContact O-N 3.16Å; V551-L553 VanDerWaalsContact C-N 3.27Å; V551-L553 PolarHBondContact O-N 3.23Å
554	S	94.8	Very high	96	Very high	18 Å²	18	50 Å²	50	13%	0.126	26%	0.261	C	S	.	.			trans	-56.4	131	179.4	-55.4	0	0	0	0	111.4	V551 R552 K560	V551-S554 VanDerWaalsContact O-CB 3.27Å; V551-S554 WeakPolarHBondContact O-CB 3.3Å; V551-S554 PolarHBondContact O-N 2.84Å; V551-S554 PolarHBondContact O-OG 2.95Å; R552-S554 VanDerWaalsContact C-N 3.3Å; S554-K560 WeakPolarHBondContact OG-CA 3.38Å
555	P	92.1	Very high	96	Very high	73 Å²	73	48.4 Å²	48.4	47%	0.474	24%	0.236	S	C	.	.	S	Bend	trans	-79.6	-18.5	-174.5	28.1	-28.9	0	0	0	114.3	V532	V532-P555 HydrophobicContact CG1-CG 3.46Å; V532-P555 VanDerWaalsContact CG1-CG 3.46Å
556	D	92.9	Very high	96.1	Very high	50 Å²	50	46 Å²	46	27%	0.267	22%	0.224	S	C	.	.	S	Bend	trans	-143.2	162	-178	64	88.9	0	0	0	110.8	E558 T559 K560	D556-E558 VanDerWaalsContact C-N 3.32Å; D556-E558 PolarHBondContact O-N 2.87Å; D556-E558 WeakPolarHBondContact OD1-CA 3.28Å; D556-E558 WeakPolarHBondContact OD1-CB 3.44Å; D556-E558 PolarHBondContact OD1-N 3.37Å; D556-T559 VanDerWaalsContact CG-OG1 3.3Å; D556-T559 PolarHBondContact OD1-N 3.33Å; D556-T559 PolarHBondContact OD1-OG1 3.09Å; D556-T559 WeakPolarHBondContact OD2-CB 3.36Å; D556-T559 PolarHBondContact OD2-OG1 3.01Å; D556-K560 WeakPolarHBondContact O-CB 3.32Å; D556-K560 PolarHBondContact O-N 3.34Å; D556-K560 VanDerWaalsContact O-N 3.11Å
557	E	94.6	Very high	96	Very high	68 Å²	68	43.5 Å²	43.5	32%	0.318	21%	0.206	S	C	.	.	H	α-helix	trans	-71.2	-25.1	-175.9	-65.9	-64.7	136.4	0	0	112.6	K560 D561 D698 I701	E557-K560 VanDerWaalsContact CD-NZ 3.32Å; E557-K560 IonicContact OE1-NZ 2.75Å; E557-K560 PolarHBondContact OE1-NZ 3.27Å; E557-K560 WeakPolarHBondContact OE2-CD 3.28Å; E557-K560 IonicContact OE2-NZ 3.77Å; E557-K560 PolarHBondContact OE2-NZ 3.47Å; E557-D561 WeakPolarHBondContact O-CB 3.23Å; E557-D561 PolarHBondContact O-N 3.17Å; E557-D698 HydrophobicContact CG-CB 4.25Å; E557-I701 HydrophobicContact CB-CG1 4.46Å
558	E	95.7	Very high	95.9	Very high	11 Å²	11	46.3 Å²	46.3	5%	0.051	22%	0.219	C	C	.	.	H	α-helix	trans	-70	-45.3	175.7	-67.7	81.4	-145.9	0	0	112.1	D556 K560 L562 H583 P584 F585 R592 I701	D556-E558 VanDerWaalsContact C-N 3.32Å; D556-E558 PolarHBondContact O-N 2.87Å; D556-E558 WeakPolarHBondContact OD1-CA 3.28Å; D556-E558 WeakPolarHBondContact OD1-CB 3.44Å; D556-E558 PolarHBondContact OD1-N 3.37Å; E558-K560 VanDerWaalsContact C-N 3.31Å; E558-L562 WeakPolarHBondContact O-CB 3.49Å; E558-L562 PolarHBondContact O-N 3.37Å; E558-H583 PolarHBondContact O-CE1 2.99Å; E558-H583 VanDerWaalsContact O-CE1 3.29Å; E558-P584 HydrophobicContact CG-CB 4.15Å; E558-F585 HydrophobicContact CB-CB 4.31Å; E558-R592 VanDerWaalsContact CD-NH1 3.26Å; E558-R592 IonicContact OE1-NH1 2.93Å; E558-R592 IonicContact OE2-CZ 3.94Å; E558-R592 IonicContact OE2-NH1 2.71Å; E558-R592 PolarHBondContact OE2-NH1 3.39Å; E558-R592 IonicContact OE2-NH2 3.39Å; E558-I701 HydrophobicContact CB-CD1 4.28Å; E558-I701 HydrophobicContact CB-CG1 4.44Å; E558-I701 HydrophobicContact CG-CD1 3.88Å; E558-I701 HydrophobicContact CG-CG1 3.93Å
559	T	96.6	Very high	95.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.3	-44.7	174.1	-61.3	0	0	0	0	110.4	V528 V532 D556 L562 I563 F585	V528-T559 HydrophobicContact CG1-CG2 4.08Å; V532-T559 HydrophobicContact CG1-CG2 4.48Å; V532-T559 HydrophobicContact CG2-CG2 4.32Å; D556-T559 VanDerWaalsContact CG-OG1 3.3Å; D556-T559 PolarHBondContact OD1-N 3.33Å; D556-T559 PolarHBondContact OD1-OG1 3.09Å; D556-T559 WeakPolarHBondContact OD2-CB 3.36Å; D556-T559 PolarHBondContact OD2-OG1 3.01Å; T559-L562 PolarHBondContact O-N 3.02Å; T559-I563 HydrophobicContact CG2-CD1 3.71Å; T559-I563 HydrophobicContact CG2-CG1 4.41Å; T559-I563 WeakPolarHBondContact O-CB 3.5Å; T559-I563 VanDerWaalsContact O-CG1 3.29Å; T559-I563 WeakPolarHBondContact O-CG1 3.32Å; T559-I563 PolarHBondContact O-N 3.36Å; T559-F585 WeakPolarHBondContact OG1-CE2 3.29Å
560	K	97.1	Very high	94.9	Very high	74 Å²	74	42.2 Å²	42.2	32%	0.322	22%	0.217	S	C	.	.	H	α-helix	trans	-61.4	-48.2	180	-173.7	-178.8	165.2	-158.7	0	112.8	V551 S554 D556 E557 E558 H564	V551-K560 HydrophobicContact CG1-CG 3.74Å; S554-K560 WeakPolarHBondContact OG-CA 3.38Å; D556-K560 WeakPolarHBondContact O-CB 3.32Å; D556-K560 PolarHBondContact O-N 3.34Å; D556-K560 VanDerWaalsContact O-N 3.11Å; E557-K560 VanDerWaalsContact CD-NZ 3.32Å; E557-K560 IonicContact OE1-NZ 2.75Å; E557-K560 PolarHBondContact OE1-NZ 3.27Å; E557-K560 WeakPolarHBondContact OE2-CD 3.28Å; E557-K560 IonicContact OE2-NZ 3.77Å; E557-K560 PolarHBondContact OE2-NZ 3.47Å; E558-K560 VanDerWaalsContact C-N 3.31Å; K560-H564 VanDerWaalsContact O-CB 3.25Å; K560-H564 WeakPolarHBondContact O-CB 3.41Å; K560-H564 PolarHBondContact O-N 3.43Å
561	D	96.8	Very high	94.1	Very high	31 Å²	31	51.2 Å²	51.2	17%	0.166	26%	0.259	C	S	.	.	H	α-helix	trans	-66.2	-40.3	178.8	-167.4	58.8	0	0	0	111.4	E557 H564 R565 H583 I701	E557-D561 WeakPolarHBondContact O-CB 3.23Å; E557-D561 PolarHBondContact O-N 3.17Å; D561-H564 PolarHBondContact O-N 3.04Å; D561-R565 VanDerWaalsContact O-CG 3.3Å; D561-R565 WeakPolarHBondContact O-CG 3.04Å; D561-R565 PolarHBondContact O-N 3.01Å; D561-R565 IonicContact OD1-NE 3.3Å; D561-R565 IonicContact OD1-NH2 3.26Å; D561-R565 IonicContact OD2-CZ 2.66Å; D561-R565 VanDerWaalsContact OD2-CZ 3.27Å; D561-R565 IonicContact OD2-NE 2.71Å; D561-R565 PolarHBondContact OD2-NE 3.38Å; D561-R565 IonicContact OD2-NH2 3.64Å; D561-R565 PolarHBondContact OD2-NH2 3Å; D561-H583 IonicContact OD2-CD2 3.49Å; D561-H583 IonicContact OD2-CE1 3.67Å; D561-H583 IonicContact OD2-NE2 2.75Å; D561-H583 PolarHBondContact OD2-NE2 3.44Å; D561-I701 HydrophobicContact CB-CD1 4.08Å; D561-I701 HydrophobicContact CB-CG1 4.29Å; D561-I701 HydrophobicContact CB-CG2 3.92Å
562	L	97.5	Very high	93.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-61.2	-51.4	177.9	179.4	58.9	0	0	0	111.7	F469 V528 E558 T559 H564 R565 L566 L580 H583 F585 F586	F469-L562 HydrophobicContact CE1-CD1 4.06Å; F469-L562 HydrophobicContact CZ-CD1 4.16Å; F469-L562 HydrophobicContact CZ-CD2 4.06Å; F469-L562 HydrophobicContact CZ-CG 4.35Å; V528-L562 HydrophobicContact CG1-CD2 4.16Å; V528-L562 HydrophobicContact CG2-CD2 4.23Å; E558-L562 WeakPolarHBondContact O-CB 3.49Å; E558-L562 PolarHBondContact O-N 3.37Å; T559-L562 PolarHBondContact O-N 3.02Å; L562-H564 VanDerWaalsContact C-N 3.33Å; L562-H564 PolarHBondContact O-N 3.33Å; L562-R565 PolarHBondContact O-N 3.46Å; L562-L566 PolarHBondContact O-N 2.87Å; L562-L580 HydrophobicContact CD1-CB 4.19Å; L562-L580 HydrophobicContact CD1-CD1 4.35Å; L562-L580 HydrophobicContact CD1-CD2 4.05Å; L562-L580 HydrophobicContact CD1-CG 4.42Å; L562-H583 HydrophobicContact CD1-CB 4.31Å; L562-F585 HydrophobicContact CB-CB 4.39Å; L562-F585 HydrophobicContact CD2-CB 3.73Å; L562-F585 HydrophobicContact CD2-CD1 3.51Å; L562-F585 HydrophobicContact CD2-CD2 4.14Å; L562-F585 HydrophobicContact CD2-CE1 4.18Å; L562-F585 HydrophobicContact CD2-CG 3.5Å; L562-F585 VanDerWaalsContact CD2-CG 3.5Å; L562-F586 HydrophobicContact CD2-CE2 4.28Å; L562-F586 HydrophobicContact CD2-CZ 4.36Å
563	I	97.9	Very high	92.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-42.5	179.4	-66.6	174.1	0	0	0	110.3	G525 V528 L529 V550 V551 T559 R565 L566 F567	G525-I563 WeakPolarHBondContact O-CD1 3.48Å; G525-I563 WeakPolarHBondContact O-CG1 3.44Å; V528-I563 HydrophobicContact CB-CD1 4.26Å; V528-I563 HydrophobicContact CB-CG1 3.99Å; V528-I563 HydrophobicContact CG1-CD1 4Å; V528-I563 HydrophobicContact CG1-CG1 3.81Å; L529-I563 HydrophobicContact CB-CD1 3.81Å; L529-I563 HydrophobicContact CD1-CD1 4.5Å; V550-I563 HydrophobicContact CG1-CG2 4.31Å; V551-I563 HydrophobicContact CG2-CG2 3.88Å; T559-I563 HydrophobicContact CG2-CD1 3.71Å; T559-I563 HydrophobicContact CG2-CG1 4.41Å; T559-I563 WeakPolarHBondContact O-CB 3.5Å; T559-I563 VanDerWaalsContact O-CG1 3.29Å; T559-I563 WeakPolarHBondContact O-CG1 3.32Å; T559-I563 PolarHBondContact O-N 3.36Å; I563-R565 VanDerWaalsContact C-N 3.3Å; I563-R565 PolarHBondContact O-N 3.49Å; I563-L566 PolarHBondContact O-N 3.47Å; I563-L566 VanDerWaalsContact O-N 3.15Å; I563-F567 HydrophobicContact CG2-CD2 3.78Å; I563-F567 HydrophobicContact CG2-CE1 4.11Å; I563-F567 HydrophobicContact CG2-CE2 3.24Å; I563-F567 HydrophobicContact CG2-CG 4.45Å; I563-F567 HydrophobicContact CG2-CZ 3.44Å; I563-F567 VanDerWaalsContact CG2-CZ 3.44Å; I563-F567 WeakPolarHBondContact O-CG 3.46Å; I563-F567 PolarHBondContact O-N 3.17Å
564	H	97.1	Very high	91.9	Very high	79 Å²	79	50.7 Å²	50.7	37%	0.366	26%	0.26	S	S	.	.	H	α-helix	trans	-58.3	-42.3	177.2	178	-84.8	0	0	0	112	V551 K560 D561 L562 F567 H568	V551-H564 HydrophobicContact CG1-CB 4.48Å; V551-H564 HydrophobicContact CG2-CB 4.34Å; K560-H564 VanDerWaalsContact O-CB 3.25Å; K560-H564 WeakPolarHBondContact O-CB 3.41Å; K560-H564 PolarHBondContact O-N 3.43Å; D561-H564 PolarHBondContact O-N 3.04Å; L562-H564 VanDerWaalsContact C-N 3.33Å; L562-H564 PolarHBondContact O-N 3.33Å; H564-F567 PolarHBondContact O-N 3.39Å; H564-H568 AromaticContact CD2-ND1 3.71Å; H564-H568 AromaticContact CE1-ND1 3.83Å; H564-H568 AromaticContact NE2-CE1 3.91Å; H564-H568 AromaticContact NE2-ND1 3.56Å; H564-H568 WeakPolarHBondContact O-CB 3.3Å; H564-H568 PolarHBondContact O-N 2.93Å; H564-H568 PolarHBondContact O-ND1 3.32Å
565	R	95.6	Very high	91.3	Very high	56 Å²	56	53.9 Å²	53.9	21%	0.211	28%	0.275	C	S	.	.	H	α-helix	trans	-67.1	-34.4	176.1	-70.2	172.5	-170.5	-101.8	-1.8	113.3	D561 L562 I563 F567 H568 L580	D561-R565 VanDerWaalsContact O-CG 3.3Å; D561-R565 WeakPolarHBondContact O-CG 3.04Å; D561-R565 PolarHBondContact O-N 3.01Å; D561-R565 IonicContact OD1-NE 3.3Å; D561-R565 IonicContact OD1-NH2 3.26Å; D561-R565 IonicContact OD2-CZ 2.66Å; D561-R565 VanDerWaalsContact OD2-CZ 3.27Å; D561-R565 IonicContact OD2-NE 2.71Å; D561-R565 PolarHBondContact OD2-NE 3.38Å; D561-R565 IonicContact OD2-NH2 3.64Å; D561-R565 PolarHBondContact OD2-NH2 3Å; L562-R565 PolarHBondContact O-N 3.46Å; I563-R565 VanDerWaalsContact C-N 3.3Å; I563-R565 PolarHBondContact O-N 3.49Å; R565-F567 VanDerWaalsContact C-N 3.35Å; R565-H568 CarbonylContact O-C 3.6Å; R565-H568 VanDerWaalsContact O-C 3.25Å; R565-H568 PolarHBondContact O-N 2.94Å; R565-L580 HydrophobicContact CB-CD2 3.85Å; R565-L580 HydrophobicContact CG-CD2 4.41Å
566	L	96.7	Very high	90.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-66.4	-37.1	174.2	-74	169.2	0	0	0	112.1	F469 L521 L524 V528 L562 I563 L577 L580	F469-L566 HydrophobicContact CE1-CD1 4.44Å; F469-L566 HydrophobicContact CE1-CD2 4.32Å; F469-L566 HydrophobicContact CZ-CD1 3.84Å; F469-L566 HydrophobicContact CZ-CD2 4.44Å; L521-L566 HydrophobicContact CB-CD2 4.47Å; L521-L566 HydrophobicContact CD2-CD2 4.03Å; L524-L566 HydrophobicContact CD2-CD2 4.12Å; L524-L566 HydrophobicContact CG-CD1 4.3Å; V528-L566 HydrophobicContact CG2-CD1 4.21Å; L562-L566 PolarHBondContact O-N 2.87Å; I563-L566 PolarHBondContact O-N 3.47Å; I563-L566 VanDerWaalsContact O-N 3.15Å; L566-L577 HydrophobicContact CD2-CD2 3.76Å; L566-L580 HydrophobicContact CD2-CD1 3.55Å; L566-L580 HydrophobicContact CG-CD1 3.96Å
567	F	96.4	Very high	90.7	Very high	3 Å²	3	48.9 Å²	48.9	1%	0.013	25%	0.246	C	C	.	.	H	α-helix	trans	-76.5	-24.4	177	-63.3	-17.3	0	0	0	113.3	E522 R526 N547 V550 V551 I563 H564 R565 P569	E522-F567 HydrophobicContact CB-CD1 4.32Å; E522-F567 HydrophobicContact CB-CE1 4.35Å; E522-F567 HydrophobicContact CG-CD1 3.98Å; E522-F567 HydrophobicContact CG-CE1 4.47Å; E522-F567 WeakPolarHBondContact O-CE1 3.39Å; R526-F567 HydrophobicContact CG-CZ 4.42Å; N547-F567 HydrophobicContact CB-CB 4.4Å; N547-F567 HydrophobicContact CB-CD2 3.51Å; N547-F567 HydrophobicContact CB-CE2 3.8Å; N547-F567 HydrophobicContact CB-CG 3.96Å; N547-F567 HydrophobicContact CB-CZ 4.5Å; N547-F567 VanDerWaalsContact O-CE2 3.28Å; N547-F567 WeakPolarHBondContact O-CE2 3.15Å; V550-F567 HydrophobicContact CB-CE2 4.04Å; V550-F567 HydrophobicContact CB-CZ 4.21Å; V550-F567 HydrophobicContact CG1-CE2 4.08Å; V550-F567 HydrophobicContact CG1-CZ 3.91Å; V551-F567 HydrophobicContact CG2-CD2 3.68Å; V551-F567 HydrophobicContact CG2-CE2 3.82Å; I563-F567 HydrophobicContact CG2-CD2 3.78Å; I563-F567 HydrophobicContact CG2-CE1 4.11Å; I563-F567 HydrophobicContact CG2-CE2 3.24Å; I563-F567 HydrophobicContact CG2-CG 4.45Å; I563-F567 HydrophobicContact CG2-CZ 3.44Å; I563-F567 VanDerWaalsContact CG2-CZ 3.44Å; I563-F567 WeakPolarHBondContact O-CG 3.46Å; I563-F567 PolarHBondContact O-N 3.17Å; H564-F567 PolarHBondContact O-N 3.39Å; R565-F567 VanDerWaalsContact C-N 3.35Å; F567-P569 WeakPolarHBondContact O-CD 3.46Å
568	H	93.8	Very high	90.2	Very high	94 Å²	94	47.1 Å²	47.1	44%	0.435	25%	0.246	S	C	.	.	S	Bend	trans	-124.5	62.5	-179	-56.4	96	0	0	0	111.5	E548 H564 R565	E548-H568 IonicContact OE1-CE1 2.72Å; H564-H568 AromaticContact CD2-ND1 3.71Å; H564-H568 AromaticContact CE1-ND1 3.83Å; H564-H568 AromaticContact NE2-CE1 3.91Å; H564-H568 AromaticContact NE2-ND1 3.56Å; H564-H568 WeakPolarHBondContact O-CB 3.3Å; H564-H568 PolarHBondContact O-N 2.93Å; H564-H568 PolarHBondContact O-ND1 3.32Å; R565-H568 CarbonylContact O-C 3.6Å; R565-H568 VanDerWaalsContact O-C 3.25Å; R565-H568 PolarHBondContact O-N 2.94Å
569	P	89.1	Confident	89.6	Confident	29 Å²	29	51.6 Å²	51.6	19%	0.188	27%	0.27	C	S	.	.			trans	-64.3	146.2	177.2	29.4	-34.2	0	0	0	110	L521 F567 V573	L521-P569 HydrophobicContact CD1-CB 4.07Å; L521-P569 HydrophobicContact CD1-CG 4.08Å; F567-P569 WeakPolarHBondContact O-CD 3.46Å; P569-V573 HydrophobicContact CB-CB 4.4Å; P569-V573 HydrophobicContact CB-CG1 4.06Å; P569-V573 HydrophobicContact CB-CG2 4.17Å; P569-V573 HydrophobicContact CG-CG1 3.89Å; P569-V573 HydrophobicContact CG-CG2 4.08Å
570	G	83.3	Confident	89.4	Confident	55 Å²	55	52.1 Å²	52.1	57%	0.567	27%	0.273	S	S	*	.			trans	-69.3	-168.2	174.9	0	0	0	0	0	112.9	H572 V573	G570-H572 PolarHBondContact O-N 3.33Å; G570-V573 VanDerWaalsContact O-CG2 3.29Å; G570-V573 WeakPolarHBondContact O-CG2 3.32Å
571	E	80.9	Confident	89.2	Confident	188 Å²	188	49.7 Å²	49.7	88%	0.879	26%	0.263	S	S	*	.	S	Bend	trans	-59.1	-31.8	-178.4	-64.9	-174.6	169.2	0	0	113.2	V573	E571-V573 PolarHBondContact O-N 2.96Å
572	H	81.9	Confident	88.9	Confident	138 Å²	138	49 Å²	49	64%	0.639	26%	0.263	S	S	*	.			trans	-92.7	61.9	178.5	-58	-60.1	0	0	0	112.2	G570 R574 D575 C576	G570-H572 PolarHBondContact O-N 3.33Å; H572-R574 PolarHBondContact O-N 3.01Å; H572-R574 VanDerWaalsContact O-N 3.16Å; H572-D575 PolarHBondContact O-N 3.2Å; H572-D575 VanDerWaalsContact O-N 3.12Å; H572-C576 PolarHBondContact O-N 3.4Å
573	V	82.6	Confident	88.9	Confident	27 Å²	27	49 Å²	49	16%	0.164	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-36.1	-175.3	-175.2	0	0	0	0	112.6	V517 L521 P569 G570 E571 D575 C576	V517-V573 HydrophobicContact CB-CG1 4.2Å; V517-V573 HydrophobicContact CG1-CG1 3.76Å; L521-V573 HydrophobicContact CD1-CG1 3.69Å; P569-V573 HydrophobicContact CB-CB 4.4Å; P569-V573 HydrophobicContact CB-CG1 4.06Å; P569-V573 HydrophobicContact CB-CG2 4.17Å; P569-V573 HydrophobicContact CG-CG1 3.89Å; P569-V573 HydrophobicContact CG-CG2 4.08Å; G570-V573 VanDerWaalsContact O-CG2 3.29Å; G570-V573 WeakPolarHBondContact O-CG2 3.32Å; E571-V573 PolarHBondContact O-N 2.96Å; V573-D575 PolarHBondContact O-N 2.85Å; V573-C576 PolarHBondContact O-SG 3.31Å
574	R	77.1	Confident	88.8	Confident	71 Å²	71	49 Å²	49	27%	0.268	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-30.6	-177.9	-157.4	-168.7	178	-169.5	-5	113.6	H476 L477 H572	H476-R574 PolarHBondContact O-NE 3.17Å; H476-R574 PolarHBondContact O-NH2 3.29Å; L477-R574 HydrophobicContact CD2-CB 4.45Å; L477-R574 HydrophobicContact CD2-CG 3.69Å; L477-R574 WeakPolarHBondContact CD2-O 3.37Å; L477-R574 PolarHBondContact O-NH2 3.18Å; L477-R574 VanDerWaalsContact O-NH2 3.11Å; H572-R574 PolarHBondContact O-N 3.01Å; H572-R574 VanDerWaalsContact O-N 3.16Å
575	D	81.3	Confident	88.8	Confident	84 Å²	84	45.7 Å²	45.7	45%	0.449	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-6.4	-174.8	-59.6	-43.5	0	0	0	112.8	L477 H572 V573 L577 G578	L477-D575 VanDerWaalsContact CD2-OD1 3.28Å; L477-D575 WeakPolarHBondContact CD2-OD1 3.4Å; H572-D575 PolarHBondContact O-N 3.2Å; H572-D575 VanDerWaalsContact O-N 3.12Å; V573-D575 PolarHBondContact O-N 2.85Å; D575-L577 VanDerWaalsContact C-N 3.27Å; D575-L577 PolarHBondContact O-N 3.13Å; D575-L577 VanDerWaalsContact O-N 3.15Å; D575-G578 PolarHBondContact O-N 2.76Å; D575-G578 VanDerWaalsContact O-N 3.14Å
576	C	84.9	Confident	88.8	Confident	17 Å²	17	44.3 Å²	44.3	12%	0.115	24%	0.243	C	C	.	.	H	α-helix	trans	-60.4	-31.6	-169	73.3	0	0	0	0	114	L521 H572 V573 G578 D579 L580	L521-C576 VanDerWaalsContact CD1-SG 3.52Å; H572-C576 PolarHBondContact O-N 3.4Å; V573-C576 PolarHBondContact O-SG 3.31Å; C576-G578 VanDerWaalsContact C-N 3.3Å; C576-G578 PolarHBondContact O-N 3.35Å; C576-D579 PolarHBondContact O-N 2.99Å; C576-L580 WeakPolarHBondContact O-CG 3.4Å; C576-L580 PolarHBondContact O-N 3.33Å; C576-L580 VanDerWaalsContact O-N 3.15Å
577	L	87.7	Confident	88.7	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-66.4	-31.6	-179	-68.1	179.1	0	0	0	112.9	F469 V472 Q473 L521 L524 L566 D575 D579 L580 L581	F469-L577 HydrophobicContact CD1-CD2 3.87Å; F469-L577 HydrophobicContact CE1-CD2 4.08Å; V472-L577 HydrophobicContact CB-CD1 3.95Å; V472-L577 HydrophobicContact CG1-CD1 3.63Å; Q473-L577 HydrophobicContact CB-CB 3.96Å; Q473-L577 HydrophobicContact CB-CD1 4.14Å; Q473-L577 HydrophobicContact CG-CB 4.25Å; L521-L577 HydrophobicContact CD2-CD1 4.01Å; L521-L577 HydrophobicContact CD2-CD2 3.61Å; L521-L577 HydrophobicContact CD2-CG 3.76Å; L524-L577 HydrophobicContact CD2-CD1 4.39Å; L524-L577 HydrophobicContact CD2-CD2 3.64Å; L566-L577 HydrophobicContact CD2-CD2 3.76Å; D575-L577 VanDerWaalsContact C-N 3.27Å; D575-L577 PolarHBondContact O-N 3.13Å; D575-L577 VanDerWaalsContact O-N 3.15Å; L577-D579 VanDerWaalsContact C-N 3.33Å; L577-D579 PolarHBondContact O-N 3.37Å; L577-L580 HydrophobicContact CD2-CD1 4.4Å; L577-L580 PolarHBondContact O-N 3.47Å; L577-L581 PolarHBondContact O-N 3.12Å
578	G	83.4	Confident	88.6	Confident	31 Å²	31	47 Å²	47	32%	0.32	26%	0.258	S	S	.	.	H	α-helix	trans	-62.9	-40.8	177.6	0	0	0	0	0	112.3	D575 C576	D575-G578 PolarHBondContact O-N 2.76Å; D575-G578 VanDerWaalsContact O-N 3.14Å; C576-G578 VanDerWaalsContact C-N 3.3Å; C576-G578 PolarHBondContact O-N 3.35Å
579	D	84.6	Confident	88.6	Confident	104 Å²	104	45.1 Å²	45.1	56%	0.556	25%	0.248	S	C	*	.	H	α-helix	trans	-70.4	-38.6	175.1	-72.4	-33.9	0	0	0	111.8	C576 L577 L581 G582	C576-D579 PolarHBondContact O-N 2.99Å; L577-D579 VanDerWaalsContact C-N 3.33Å; L577-D579 PolarHBondContact O-N 3.37Å; D579-L581 VanDerWaalsContact C-N 3.31Å; D579-L581 PolarHBondContact O-N 3.3Å; D579-G582 PolarHBondContact O-N 3.03Å; D579-G582 VanDerWaalsContact O-N 3.07Å
580	L	92.3	Very high	88.8	Confident	12 Å²	12	48.1 Å²	48.1	6%	0.063	26%	0.259	C	S	.	.	H	α-helix	trans	-69	-24.7	-179.1	-67.1	177.6	0	0	0	113.6	F469 L562 R565 L566 C576 L577 G582 H583 F586	F469-L580 HydrophobicContact CD1-CB 4.44Å; F469-L580 HydrophobicContact CE1-CB 4.1Å; L562-L580 HydrophobicContact CD1-CB 4.19Å; L562-L580 HydrophobicContact CD1-CD1 4.35Å; L562-L580 HydrophobicContact CD1-CD2 4.05Å; L562-L580 HydrophobicContact CD1-CG 4.42Å; R565-L580 HydrophobicContact CB-CD2 3.85Å; R565-L580 HydrophobicContact CG-CD2 4.41Å; L566-L580 HydrophobicContact CD2-CD1 3.55Å; L566-L580 HydrophobicContact CG-CD1 3.96Å; C576-L580 WeakPolarHBondContact O-CG 3.4Å; C576-L580 PolarHBondContact O-N 3.33Å; C576-L580 VanDerWaalsContact O-N 3.15Å; L577-L580 HydrophobicContact CD2-CD1 4.4Å; L577-L580 PolarHBondContact O-N 3.47Å; L580-G582 PolarHBondContact O-N 3.13Å; L580-H583 WeakPolarHBondContact O-CB 3.3Å; L580-H583 PolarHBondContact O-N 2.97Å; L580-F586 VanDerWaalsContact O-CD2 3.3Å; L580-F586 WeakPolarHBondContact O-CD2 3.45Å; L580-F586 VanDerWaalsContact O-CE2 3.26Å; L580-F586 WeakPolarHBondContact O-CE2 3.49Å
581	L	91.8	Very high	89.3	Confident	23 Å²	23	46.3 Å²	46.3	12%	0.12	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.3	170.5	-77.6	170.8	0	0	0	112.9	F469 K470 Q473 L577 D579	F469-L581 HydrophobicContact CB-CD2 3.63Å; F469-L581 HydrophobicContact CB-CG 4.24Å; F469-L581 HydrophobicContact CG-CD2 4.45Å; K470-L581 HydrophobicContact CG-CD1 3.79Å; K470-L581 HydrophobicContact CG-CD2 4.22Å; Q473-L581 VanDerWaalsContact OE1-CD1 3.31Å; L577-L581 PolarHBondContact O-N 3.12Å; D579-L581 VanDerWaalsContact C-N 3.31Å; D579-L581 PolarHBondContact O-N 3.3Å
582	G	91.8	Very high	90.1	Very high	16 Å²	16	38.1 Å²	38.1	17%	0.165	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-0.1	171.7	0	0	0	0	0	114.7	D579 L580 W587	D579-G582 PolarHBondContact O-N 3.03Å; D579-G582 VanDerWaalsContact O-N 3.07Å; L580-G582 PolarHBondContact O-N 3.13Å; G582-W587 PolarHBondContact O-NE1 2.96Å
583	H	96	Very high	90.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	-68	147.4	-174.8	-171.8	-97.3	0	0	0	112.7	E558 D561 L562 L580 F585 F586 Y704	E558-H583 PolarHBondContact O-CE1 2.99Å; E558-H583 VanDerWaalsContact O-CE1 3.29Å; D561-H583 IonicContact OD2-CD2 3.49Å; D561-H583 IonicContact OD2-CE1 3.67Å; D561-H583 IonicContact OD2-NE2 2.75Å; D561-H583 PolarHBondContact OD2-NE2 3.44Å; L562-H583 HydrophobicContact CD1-CB 4.31Å; L580-H583 WeakPolarHBondContact O-CB 3.3Å; L580-H583 PolarHBondContact O-N 2.97Å; H583-F585 WeakPolarHBondContact ND1-CB 3.48Å; H583-F585 PolarHBondContact ND1-N 3.41Å; H583-F585 PolarHBondContact O-N 3.14Å; H583-F586 HydrophobicContact CB-CD2 4.38Å; H583-F586 PolarHBondContact O-N 3.05Å; H583-Y704 AromaticContact CD2-CE1 3.75Å
584	P	96.4	Very high	91.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-58.5	-20.8	-178.2	-28.7	37.8	0	0	0	116.2	E558 F586 W587 R592 V700 I701 Y704	E558-P584 HydrophobicContact CG-CB 4.15Å; P584-F586 PolarHBondContact O-N 2.93Å; P584-W587 HydrophobicContact CB-CD2 4.08Å; P584-W587 HydrophobicContact CB-CE3 4Å; P584-W587 HydrophobicContact CB-CZ3 4.27Å; P584-W587 HydrophobicContact CG-CD2 4.35Å; P584-W587 HydrophobicContact CG-CE3 4.25Å; P584-W587 HydrophobicContact CG-CH2 3.99Å; P584-W587 HydrophobicContact CG-CZ2 4.06Å; P584-W587 HydrophobicContact CG-CZ3 4.07Å; P584-W587 WeakPolarHBondContact O-CB 3.25Å; P584-W587 PolarHBondContact O-N 3.05Å; P584-R592 PolarHBondContact O-NE 3.03Å; P584-R592 VanDerWaalsContact O-NE 3.09Å; P584-R592 PolarHBondContact O-NH2 3.5Å; P584-V700 HydrophobicContact CB-CG1 3.7Å; P584-V700 HydrophobicContact CG-CG1 4.29Å; P584-I701 HydrophobicContact CB-CD1 3.94Å; P584-I701 HydrophobicContact CG-CD1 3.89Å; P584-Y704 HydrophobicContact CG-CD1 3.89Å; P584-Y704 HydrophobicContact CG-CD2 3.54Å; P584-Y704 HydrophobicContact CG-CE1 4.49Å; P584-Y704 HydrophobicContact CG-CE2 4.19Å; P584-Y704 HydrophobicContact CG-CG 3.37Å
585	F	96.3	Very high	92.4	Very high	10 Å²	10	33 Å²	33	4%	0.044	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-50.9	-44.9	169.2	179	-94.9	0	0	0	111.7	R462 L465 V528 V532 E558 T559 L562 H583 W587 R592	R462-F585 WeakPolarHBondContact CD-O 3.49Å; L465-F585 HydrophobicContact CB-CE1 4.23Å; L465-F585 HydrophobicContact CD1-CE1 3.54Å; L465-F585 HydrophobicContact CD1-CZ 3.43Å; L465-F585 VanDerWaalsContact CD1-CZ 3.43Å; V528-F585 HydrophobicContact CG1-CE2 4.45Å; V528-F585 HydrophobicContact CG1-CZ 4.4Å; V532-F585 HydrophobicContact CG2-CE2 3.7Å; V532-F585 HydrophobicContact CG2-CZ 3.77Å; E558-F585 HydrophobicContact CB-CB 4.31Å; T559-F585 WeakPolarHBondContact OG1-CE2 3.29Å; L562-F585 HydrophobicContact CB-CB 4.39Å; L562-F585 HydrophobicContact CD2-CB 3.73Å; L562-F585 HydrophobicContact CD2-CD1 3.51Å; L562-F585 HydrophobicContact CD2-CD2 4.14Å; L562-F585 HydrophobicContact CD2-CE1 4.18Å; L562-F585 HydrophobicContact CD2-CG 3.5Å; L562-F585 VanDerWaalsContact CD2-CG 3.5Å; H583-F585 WeakPolarHBondContact ND1-CB 3.48Å; H583-F585 PolarHBondContact ND1-N 3.41Å; H583-F585 PolarHBondContact O-N 3.14Å; F585-W587 VanDerWaalsContact C-N 3.3Å; F585-W587 PolarHBondContact O-N 2.6Å; F585-R592 PolarHBondContact O-NH2 2.89Å
586	F	95.8	Very high	93.1	Very high	27 Å²	27	29.3 Å²	29.3	12%	0.118	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-81.2	-5.6	-179.3	-62	-69	0	0	0	113.9	L465 F469 L562 L580 H583 P584	L465-F586 HydrophobicContact CB-CE1 3.99Å; F469-F586 HydrophobicContact CD1-CE2 4.14Å; F469-F586 AromaticContact CD1-CZ 3.93Å; F469-F586 HydrophobicContact CD1-CZ 3.93Å; F469-F586 HydrophobicContact CD2-CZ 4.07Å; F469-F586 HydrophobicContact CE1-CE2 4.09Å; F469-F586 AromaticContact CE1-CZ 3.98Å; F469-F586 HydrophobicContact CE1-CZ 3.98Å; F469-F586 HydrophobicContact CE2-CZ 4.09Å; F469-F586 AromaticContact CG-CZ 3.96Å; F469-F586 HydrophobicContact CG-CZ 3.96Å; F469-F586 HydrophobicContact CZ-CE2 4.46Å; F469-F586 HydrophobicContact CZ-CZ 4.01Å; L562-F586 HydrophobicContact CD2-CE2 4.28Å; L562-F586 HydrophobicContact CD2-CZ 4.36Å; L580-F586 VanDerWaalsContact O-CD2 3.3Å; L580-F586 WeakPolarHBondContact O-CD2 3.45Å; L580-F586 VanDerWaalsContact O-CE2 3.26Å; L580-F586 WeakPolarHBondContact O-CE2 3.49Å; H583-F586 HydrophobicContact CB-CD2 4.38Å; H583-F586 PolarHBondContact O-N 3.05Å; P584-F586 PolarHBondContact O-N 2.93Å
587	W	94.9	Very high	93.7	Very high	12 Å²	12	31.6 Å²	31.6	5%	0.045	16%	0.158	C	C	.	.	S	Bend	trans	-80.5	135.7	176.8	-59.4	1.2	0	0	0	109.9	G582 P584 F585 R592 T595 Y704 F716 P717	G582-W587 PolarHBondContact O-NE1 2.96Å; P584-W587 HydrophobicContact CB-CD2 4.08Å; P584-W587 HydrophobicContact CB-CE3 4Å; P584-W587 HydrophobicContact CB-CZ3 4.27Å; P584-W587 HydrophobicContact CG-CD2 4.35Å; P584-W587 HydrophobicContact CG-CE3 4.25Å; P584-W587 HydrophobicContact CG-CH2 3.99Å; P584-W587 HydrophobicContact CG-CZ2 4.06Å; P584-W587 HydrophobicContact CG-CZ3 4.07Å; P584-W587 WeakPolarHBondContact O-CB 3.25Å; P584-W587 PolarHBondContact O-N 3.05Å; F585-W587 VanDerWaalsContact C-N 3.3Å; F585-W587 PolarHBondContact O-N 2.6Å; W587-R592 HydrophobicContact CB-CG 3.73Å; W587-R592 HydrophobicContact CE3-CG 4.08Å; W587-R592 PolarHBondContact O-NE 3.39Å; W587-T595 HydrophobicContact CH2-CG2 4.19Å; W587-T595 HydrophobicContact CZ3-CG2 3.84Å; W587-Y704 AromaticContact CH2-CD2 3.88Å; W587-Y704 HydrophobicContact CH2-CD2 3.88Å; W587-Y704 AromaticContact CZ2-CD2 3.91Å; W587-Y704 HydrophobicContact CZ2-CD2 3.91Å; W587-Y704 HydrophobicContact CZ2-CE2 4.23Å; W587-F716 HydrophobicContact CH2-CB 3.97Å; W587-F716 AromaticContact CH2-CD1 3.72Å; W587-F716 HydrophobicContact CH2-CD1 3.72Å; W587-F716 AromaticContact CH2-CD2 3.96Å; W587-F716 HydrophobicContact CH2-CD2 3.96Å; W587-F716 HydrophobicContact CH2-CE1 4.18Å; W587-F716 HydrophobicContact CH2-CE2 4.37Å; W587-F716 AromaticContact CH2-CG 3.62Å; W587-F716 HydrophobicContact CH2-CG 3.62Å; W587-F716 HydrophobicContact CH2-CZ 4.49Å; W587-F716 HydrophobicContact CZ2-CB 3.84Å; W587-F716 HydrophobicContact CZ2-CD1 4.4Å; W587-F716 AromaticContact CZ2-CD2 3.94Å; W587-F716 HydrophobicContact CZ2-CD2 3.94Å; W587-F716 AromaticContact CZ2-CG 3.83Å; W587-F716 HydrophobicContact CZ2-CG 3.83Å; W587-P717 HydrophobicContact CD2-CG 3.74Å; W587-P717 VanDerWaalsContact CE2-CD 3.45Å; W587-P717 HydrophobicContact CE3-CG 4.21Å; W587-P717 HydrophobicContact CG-CG 3.88Å
588	T	94.3	Very high	94.2	Very high	46 Å²	46	34.3 Å²	34.3	28%	0.282	17%	0.173	S	C	.	.			trans	-61.6	156.9	170.1	66.6	0	0	0	0	111.4	E457 E590 S591 R592	E457-T588 WeakPolarHBondContact OE1-CA 3.4Å; T588-E590 PolarHBondContact O-N 3.02Å; T588-S591 WeakPolarHBondContact O-CA 3.3Å; T588-S591 WeakPolarHBondContact O-CB 3.49Å; T588-S591 PolarHBondContact O-N 3.19Å; T588-S591 WeakPolarHBondContact OG1-CB 3.32Å; T588-S591 PolarHBondContact OG1-N 2.99Å; T588-S591 VanDerWaalsContact OG1-N 3.1Å; T588-S591 PolarHBondContact OG1-OG 3.15Å; T588-R592 WeakPolarHBondContact O-CG 3.34Å; T588-R592 PolarHBondContact O-N 3.2Å
589	W	93.2	Very high	94.8	Very high	56 Å²	56	32.9 Å²	32.9	21%	0.212	16%	0.157	C	C	.	.	H	α-helix	trans	-56.1	-39.3	176.5	-74.9	-1.2	0	0	0	112	E457 R592 Y593 R690 Q693	E457-W589 HydrophobicContact CB-CD2 3.86Å; E457-W589 HydrophobicContact CB-CE3 4.05Å; E457-W589 HydrophobicContact CB-CG 4.32Å; E457-W589 HydrophobicContact CB-CH2 4.29Å; E457-W589 HydrophobicContact CB-CZ2 4.15Å; E457-W589 HydrophobicContact CB-CZ3 4.25Å; E457-W589 HydrophobicContact CG-CD2 3.95Å; E457-W589 HydrophobicContact CG-CG 3.95Å; E457-W589 HydrophobicContact CG-CZ2 4.47Å; E457-W589 PolarHBondContact OE1-N 3.1Å; E457-W589 VanDerWaalsContact OE2-CB 3.32Å; E457-W589 WeakPolarHBondContact OE2-CB 3.17Å; E457-W589 PolarHBondContact OE2-N 2.93Å; W589-R592 PolarHBondContact O-N 3.37Å; W589-Y593 WeakPolarHBondContact O-CB 3.38Å; W589-Y593 PolarHBondContact O-N 2.98Å; W589-R690 HydrophobicContact CE3-CB 4.19Å; W589-R690 HydrophobicContact CE3-CG 4.36Å; W589-R690 HydrophobicContact CH2-CG 4.3Å; W589-R690 HydrophobicContact CZ3-CB 4.14Å; W589-R690 HydrophobicContact CZ3-CG 3.85Å; W589-Q693 VanDerWaalsContact CG-NE2 3.28Å
590	E	93.5	Very high	95.4	Very high	91 Å²	91	27.9 Å²	27.9	43%	0.425	13%	0.131	S	C	.	.	H	α-helix	trans	-64	-40.3	173.8	-179.8	53.4	-151	0	0	112.1	T588 Y593 R594	T588-E590 PolarHBondContact O-N 3.02Å; E590-Y593 PolarHBondContact O-N 3.39Å; E590-R594 VanDerWaalsContact O-CB 3.22Å; E590-R594 WeakPolarHBondContact O-CB 3.31Å; E590-R594 PolarHBondContact O-N 3.22Å
591	S	95.6	Very high	95.6	Very high	18 Å²	18	30.5 Å²	30.5	13%	0.126	15%	0.145	C	C	.	.	H	α-helix	trans	-65.6	-39.6	176.9	-67.4	0	0	0	0	112.4	T588 T595	T588-S591 WeakPolarHBondContact O-CA 3.3Å; T588-S591 WeakPolarHBondContact O-CB 3.49Å; T588-S591 PolarHBondContact O-N 3.19Å; T588-S591 WeakPolarHBondContact OG1-CB 3.32Å; T588-S591 PolarHBondContact OG1-N 2.99Å; T588-S591 VanDerWaalsContact OG1-N 3.1Å; T588-S591 PolarHBondContact OG1-OG 3.15Å; S591-T595 WeakPolarHBondContact O-CB 3.48Å; S591-T595 PolarHBondContact O-N 3.34Å; S591-T595 PolarHBondContact O-OG1 3.01Å
592	R	96.4	Very high	95.8	Very high	16 Å²	16	30.9 Å²	30.9	6%	0.06	15%	0.146	C	C	.	.	H	α-helix	trans	-61.3	-50.1	173.1	-63	171.3	-172.3	-164.5	-5.7	110.3	E558 P584 F585 W587 T588 W589 R594 T595 L596 V700	E558-R592 VanDerWaalsContact CD-NH1 3.26Å; E558-R592 IonicContact OE1-NH1 2.93Å; E558-R592 IonicContact OE2-CZ 3.94Å; E558-R592 IonicContact OE2-NH1 2.71Å; E558-R592 PolarHBondContact OE2-NH1 3.39Å; E558-R592 IonicContact OE2-NH2 3.39Å; P584-R592 PolarHBondContact O-NE 3.03Å; P584-R592 VanDerWaalsContact O-NE 3.09Å; P584-R592 PolarHBondContact O-NH2 3.5Å; F585-R592 PolarHBondContact O-NH2 2.89Å; W587-R592 HydrophobicContact CB-CG 3.73Å; W587-R592 HydrophobicContact CE3-CG 4.08Å; W587-R592 PolarHBondContact O-NE 3.39Å; T588-R592 WeakPolarHBondContact O-CG 3.34Å; T588-R592 PolarHBondContact O-N 3.2Å; W589-R592 PolarHBondContact O-N 3.37Å; R592-R594 PolarHBondContact O-N 3.39Å; R592-T595 WeakPolarHBondContact O-CB 3.04Å; R592-T595 PolarHBondContact O-N 2.88Å; R592-L596 WeakPolarHBondContact O-CG 3.06Å; R592-L596 PolarHBondContact O-N 3.5Å; R592-L596 VanDerWaalsContact O-N 3.09Å; R592-V700 HydrophobicContact CB-CG1 4.3Å; R592-V700 HydrophobicContact CB-CG2 4.13Å; R592-V700 HydrophobicContact CG-CG1 4.09Å
593	Y	95.7	Very high	95.9	Very high	12 Å²	12	33.4 Å²	33.4	5%	0.047	16%	0.161	C	C	.	.	H	α-helix	trans	-59.5	-48.7	178.6	179.1	-123.1	0	0	0	112.5	W589 E590 T595 L596 R597 I666 G670 P688 F692	W589-Y593 WeakPolarHBondContact O-CB 3.38Å; W589-Y593 PolarHBondContact O-N 2.98Å; E590-Y593 PolarHBondContact O-N 3.39Å; Y593-T595 VanDerWaalsContact C-N 3.3Å; Y593-T595 PolarHBondContact O-N 3.27Å; Y593-L596 PolarHBondContact O-N 2.79Å; Y593-R597 HydrophobicContact CD2-CG 4.45Å; Y593-R597 HydrophobicContact CE1-CG 4.38Å; Y593-R597 HydrophobicContact CE2-CG 4.12Å; Y593-R597 WeakPolarHBondContact O-CG 3.49Å; Y593-R597 PolarHBondContact O-N 3.37Å; Y593-I666 HydrophobicContact CD2-CG2 4.1Å; Y593-I666 HydrophobicContact CE2-CG2 3.72Å; Y593-G670 WeakPolarHBondContact OH-CA 3.38Å; Y593-P688 HydrophobicContact CE1-CB 4.11Å; Y593-P688 HydrophobicContact CE2-CB 3.93Å; Y593-F692 HydrophobicContact CD2-CD2 4.21Å; Y593-F692 AromaticContact CE2-CD2 3.78Å; Y593-F692 HydrophobicContact CE2-CD2 3.78Å; Y593-F692 AromaticContact CE2-CE2 3.96Å; Y593-F692 HydrophobicContact CE2-CE2 3.96Å
594	R	96.6	Very high	95.8	Very high	113 Å²	113	34.9 Å²	34.9	43%	0.426	17%	0.169	S	C	.	.	H	α-helix	trans	-57.9	-41.4	175.9	-177.8	176.7	63.2	-169.1	-5.4	111.9	E590 R592 R597 N598	E590-R594 VanDerWaalsContact O-CB 3.22Å; E590-R594 WeakPolarHBondContact O-CB 3.31Å; E590-R594 PolarHBondContact O-N 3.22Å; R592-R594 PolarHBondContact O-N 3.39Å; R594-R597 WeakPolarHBondContact O-CB 3.37Å; R594-R597 PolarHBondContact O-N 2.96Å; R594-N598 WeakPolarHBondContact O-CB 3.39Å; R594-N598 PolarHBondContact O-N 2.9Å; R594-N598 PolarHBondContact O-ND2 3.27Å; R594-N598 PolarHBondContact O-OD1 2.98Å
595	T	97.3	Very high	95.7	Very high	3 Å²	3	35 Å²	35	2%	0.018	17%	0.169	C	C	.	.	H	α-helix	trans	-60.7	-49.1	176.8	-59.3	0	0	0	0	111.1	W587 S591 R592 Y593 R597 N598 V599 F716	W587-T595 HydrophobicContact CH2-CG2 4.19Å; W587-T595 HydrophobicContact CZ3-CG2 3.84Å; S591-T595 WeakPolarHBondContact O-CB 3.48Å; S591-T595 PolarHBondContact O-N 3.34Å; S591-T595 PolarHBondContact O-OG1 3.01Å; R592-T595 WeakPolarHBondContact O-CB 3.04Å; R592-T595 PolarHBondContact O-N 2.88Å; Y593-T595 VanDerWaalsContact C-N 3.3Å; Y593-T595 PolarHBondContact O-N 3.27Å; T595-R597 VanDerWaalsContact C-N 3.28Å; T595-R597 PolarHBondContact O-N 2.63Å; T595-N598 PolarHBondContact O-N 3.17Å; T595-V599 WeakPolarHBondContact O-CG2 3.42Å; T595-V599 PolarHBondContact O-N 3.17Å; T595-F716 HydrophobicContact CG2-CD1 3.64Å; T595-F716 HydrophobicContact CG2-CE1 4.12Å
596	L	97.8	Very high	95.3	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-59.4	-39.5	177	-63.1	176.7	0	0	0	112	R592 Y593 G600 L663 I666 L699 V700 V703	R592-L596 WeakPolarHBondContact O-CG 3.06Å; R592-L596 PolarHBondContact O-N 3.5Å; R592-L596 VanDerWaalsContact O-N 3.09Å; Y593-L596 PolarHBondContact O-N 2.79Å; L596-G600 PolarHBondContact O-N 3.47Å; L596-L663 HydrophobicContact CB-CD2 4.17Å; L596-L663 HydrophobicContact CD2-CD2 3.74Å; L596-I666 HydrophobicContact CB-CG2 4.1Å; L596-I666 HydrophobicContact CD1-CD1 4.25Å; L596-L699 HydrophobicContact CD1-CD2 3.99Å; L596-L699 HydrophobicContact CD1-CG 4.38Å; L596-L699 HydrophobicContact CD2-CD2 4.41Å; L596-L699 HydrophobicContact CD2-CG 4.15Å; L596-V700 HydrophobicContact CD1-CG2 4.07Å; L596-V703 HydrophobicContact CD2-CB 4.16Å; L596-V703 HydrophobicContact CD2-CG1 4.38Å; L596-V703 HydrophobicContact CD2-CG2 3.85Å
597	R	97.1	Very high	95	Very high	65 Å²	65	41.4 Å²	41.4	25%	0.245	21%	0.206	C	C	.	.	H	α-helix	trans	-65.4	-44	175.2	-69	-179.5	61.4	-178.3	2.9	112.6	Y593 R594 T595 G600 N601 I666 R667 G670	Y593-R597 HydrophobicContact CD2-CG 4.45Å; Y593-R597 HydrophobicContact CE1-CG 4.38Å; Y593-R597 HydrophobicContact CE2-CG 4.12Å; Y593-R597 WeakPolarHBondContact O-CG 3.49Å; Y593-R597 PolarHBondContact O-N 3.37Å; R594-R597 WeakPolarHBondContact O-CB 3.37Å; R594-R597 PolarHBondContact O-N 2.96Å; T595-R597 VanDerWaalsContact C-N 3.28Å; T595-R597 PolarHBondContact O-N 2.63Å; R597-G600 CarbonylContact O-C 3.46Å; R597-G600 PolarHBondContact O-N 2.75Å; R597-N601 WeakPolarHBondContact O-CB 3.34Å; R597-N601 PolarHBondContact O-N 2.68Å; R597-I666 HydrophobicContact CG-CG2 4.04Å; R597-R667 WeakPolarHBondContact O-CG 3.37Å; R597-G670 PolarHBondContact NH2-O 2.71Å
598	N	96.7	Very high	94.8	Very high	60 Å²	60	42.1 Å²	42.1	32%	0.321	21%	0.209	S	C	.	.	H	α-helix	trans	-63.3	-45.9	-179.2	-73.1	-12.4	0	0	0	111	R594 T595 N601 H715	R594-N598 WeakPolarHBondContact O-CB 3.39Å; R594-N598 PolarHBondContact O-N 2.9Å; R594-N598 PolarHBondContact O-ND2 3.27Å; R594-N598 PolarHBondContact O-OD1 2.98Å; T595-N598 PolarHBondContact O-N 3.17Å; N598-N601 WeakPolarHBondContact O-CB 3.43Å; N598-N601 PolarHBondContact O-N 3.43Å; N598-N601 VanDerWaalsContact O-N 3.07Å; N598-H715 HydrophobicContact CB-CB 4.09Å
599	V	97.2	Very high	94.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-60.3	-47.9	173.4	179.7	0	0	0	0	109.9	T595 N601 E602 I605 I614 L663 V703 L707 H715	T595-V599 WeakPolarHBondContact O-CG2 3.42Å; T595-V599 PolarHBondContact O-N 3.17Å; V599-N601 PolarHBondContact O-N 3.49Å; V599-E602 WeakPolarHBondContact O-CB 3.46Å; V599-E602 PolarHBondContact O-N 3.15Å; V599-I605 HydrophobicContact CG1-CD1 4.14Å; V599-I605 WeakPolarHBondContact O-CD1 3.17Å; V599-I614 HydrophobicContact CG1-CD1 4.01Å; V599-L663 HydrophobicContact CB-CD1 4.5Å; V599-L663 HydrophobicContact CG1-CD1 3.74Å; V599-V703 HydrophobicContact CG2-CG1 4.26Å; V599-L707 HydrophobicContact CG1-CD1 3.91Å; V599-L707 HydrophobicContact CG2-CD1 4.04Å; V599-H715 HydrophobicContact CG2-CB 3.89Å
600	G	96.3	Very high	93.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.3	-14.8	175.5	0	0	0	0	0	115.3	L596 R597	L596-G600 PolarHBondContact O-N 3.47Å; R597-G600 CarbonylContact O-C 3.46Å; R597-G600 PolarHBondContact O-N 2.75Å
601	N	96.3	Very high	93.3	Very high	66 Å²	66	54.8 Å²	54.8	35%	0.353	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-6.2	176.2	-165.6	30.8	0	0	0	113.3	R597 N598 V599 S603 K606 R667	R597-N601 WeakPolarHBondContact O-CB 3.34Å; R597-N601 PolarHBondContact O-N 2.68Å; N598-N601 WeakPolarHBondContact O-CB 3.43Å; N598-N601 PolarHBondContact O-N 3.43Å; N598-N601 VanDerWaalsContact O-N 3.07Å; V599-N601 PolarHBondContact O-N 3.49Å; N601-S603 PolarHBondContact O-N 3.33Å; N601-K606 WeakPolarHBondContact O-CE 3.43Å; N601-K606 PolarHBondContact O-NZ 3.16Å; N601-K606 PolarHBondContact OD1-NZ 2.94Å; N601-R667 HydrophobicContact CB-CG 4.04Å; N601-R667 PolarHBondContact OD1-NE 2.78Å; N601-R667 VanDerWaalsContact OD1-NE 3.16Å; N601-R667 PolarHBondContact OD1-NH2 2.91Å
602	E	97.1	Very high	93.1	Very high	32 Å²	32	54.1 Å²	54.1	15%	0.15	26%	0.258	C	S	.	.			trans	-58.2	134.6	175.3	-78.6	-69.8	178.2	0	0	111.1	V599 D604 I605 K606 I614 Y712 K714 H715	V599-E602 WeakPolarHBondContact O-CB 3.46Å; V599-E602 PolarHBondContact O-N 3.15Å; E602-D604 PolarHBondContact O-N 3.02Å; E602-I605 HydrophobicContact CB-CG1 4.28Å; E602-I605 PolarHBondContact O-N 3.26Å; E602-I605 VanDerWaalsContact O-N 3.09Å; E602-K606 PolarHBondContact O-N 3.16Å; E602-I614 HydrophobicContact CB-CD1 4.04Å; E602-I614 HydrophobicContact CG-CD1 3.77Å; E602-Y712 HydrophobicContact CG-CD1 4.48Å; E602-K714 WeakPolarHBondContact OE1-CE 3.19Å; E602-K714 IonicContact OE1-NZ 3.63Å; E602-K714 PolarHBondContact OE1-NZ 3.03Å; E602-H715 IonicContact OE1-CD2 3.86Å; E602-H715 IonicContact OE1-CE1 3.93Å; E602-H715 PolarHBondContact OE1-CE1 3.07Å; E602-H715 VanDerWaalsContact OE1-CE1 3.3Å; E602-H715 IonicContact OE1-NE2 2.82Å; E602-H715 PolarHBondContact OE1-NE2 3.28Å
603	S	93.3	Very high	92.9	Very high	69 Å²	69	58.1 Å²	58.1	48%	0.483	28%	0.277	S	S	.	.	H	α-helix	trans	-60.3	-36.2	-171.8	63.5	0	0	0	0	112.7	N601 K606 T607	N601-S603 PolarHBondContact O-N 3.33Å; S603-K606 PolarHBondContact O-N 2.72Å; S603-T607 PolarHBondContact O-N 3.35Å; S603-T607 VanDerWaalsContact O-N 3.09Å; S603-T607 PolarHBondContact O-OG1 3.49Å
604	D	94.5	Very high	92.8	Very high	31 Å²	31	57.6 Å²	57.6	17%	0.166	28%	0.275	C	S	.	.	H	α-helix	trans	-69.2	-32.6	178.5	-74.8	-18.5	0	0	0	112.8	E602 R608 K609 S612 I614	E602-D604 PolarHBondContact O-N 3.02Å; D604-R608 WeakPolarHBondContact O-CA 3.2Å; D604-R608 PolarHBondContact O-N 3.13Å; D604-K609 HydrophobicContact CB-CB 4.27Å; D604-K609 PolarHBondContact O-N 2.85Å; D604-K609 WeakPolarHBondContact OD1-CD 3.37Å; D604-K609 IonicContact OD1-NZ 3.65Å; D604-S612 VanDerWaalsContact CB-CB 3.49Å; D604-S612 VanDerWaalsContact CG-CB 3.46Å; D604-S612 WeakPolarHBondContact OD2-CB 3.29Å; D604-I614 HydrophobicContact CB-CG2 4.08Å
605	I	93.3	Very high	92.6	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-70.1	-45.5	172.1	-66.7	-168.4	0	0	0	110.1	V599 E602 T607 R608 I614 L615 L618 G660 L663 K664	V599-I605 HydrophobicContact CG1-CD1 4.14Å; V599-I605 WeakPolarHBondContact O-CD1 3.17Å; E602-I605 HydrophobicContact CB-CG1 4.28Å; E602-I605 PolarHBondContact O-N 3.26Å; E602-I605 VanDerWaalsContact O-N 3.09Å; I605-T607 VanDerWaalsContact C-N 3.26Å; I605-T607 PolarHBondContact O-N 2.93Å; I605-R608 PolarHBondContact O-N 3.25Å; I605-I614 HydrophobicContact CD1-CD1 3.84Å; I605-I614 HydrophobicContact CD1-CG1 4.29Å; I605-I614 HydrophobicContact CG1-CD1 4.31Å; I605-I614 HydrophobicContact CG1-CG2 4.09Å; I605-L615 HydrophobicContact CG1-CD2 4Å; I605-L615 HydrophobicContact CG1-CG 4.44Å; I605-L618 HydrophobicContact CD1-CD1 3.92Å; I605-G660 WeakPolarHBondContact CG2-O 3.36Å; I605-L663 HydrophobicContact CD1-CD1 4.34Å; I605-K664 HydrophobicContact CG2-CB 3.99Å
606	K	88.9	Confident	92.4	Very high	72 Å²	72	58.8 Å²	58.8	31%	0.313	28%	0.284	S	S	.	.	H	α-helix	trans	-58.8	-39.2	180	-70.8	-176.7	-67.8	-156.1	0	112.5	N601 E602 S603 K664	N601-K606 WeakPolarHBondContact O-CE 3.43Å; N601-K606 PolarHBondContact O-NZ 3.16Å; N601-K606 PolarHBondContact OD1-NZ 2.94Å; E602-K606 PolarHBondContact O-N 3.16Å; S603-K606 PolarHBondContact O-N 2.72Å; K606-K664 PolarHBondContact O-NZ 3.24Å
607	T	89.1	Confident	92.2	Very high	100 Å²	100	60.8 Å²	60.8	61%	0.613	29%	0.294	S	S	*	.	H	α-helix	trans	-95.9	-1.8	-176.2	57.3	0	0	0	0	114.5	S603 I605 K609	S603-T607 PolarHBondContact O-N 3.35Å; S603-T607 VanDerWaalsContact O-N 3.09Å; S603-T607 PolarHBondContact O-OG1 3.49Å; I605-T607 VanDerWaalsContact C-N 3.26Å; I605-T607 PolarHBondContact O-N 2.93Å; T607-K609 VanDerWaalsContact C-N 3.35Å; T607-K609 PolarHBondContact O-N 2.7Å
608	R	90.6	Very high	92	Very high	28 Å²	28	57.8 Å²	57.8	11%	0.106	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	52	48	-175.7	-59.4	-174.3	-172.9	150	8.7	113.1	D604 I605 H610 N653 F654 Q656 D661	D604-R608 WeakPolarHBondContact O-CA 3.2Å; D604-R608 PolarHBondContact O-N 3.13Å; I605-R608 PolarHBondContact O-N 3.25Å; R608-H610 PolarHBondContact O-N 3.04Å; R608-N653 PolarHBondContact NH1-OD1 3.26Å; R608-F654 PolarHBondContact NH2-O 3.5Å; R608-Q656 VanDerWaalsContact NH1-NE2 3.16Å; R608-D661 IonicContact CZ-OD1 3.54Å; R608-D661 IonicContact CZ-OD2 3.08Å; R608-D661 IonicContact NE-OD1 2.85Å; R608-D661 PolarHBondContact NE-OD1 3.22Å; R608-D661 IonicContact NE-OD2 3.09Å; R608-D661 PolarHBondContact NE-OD2 2.59Å; R608-D661 VanDerWaalsContact NE-OD2 3.09Å; R608-D661 IonicContact NH2-OD1 3.56Å; R608-D661 PolarHBondContact NH2-OD1 3.32Å; R608-D661 IonicContact NH2-OD2 3.16Å; R608-D661 PolarHBondContact NH2-OD2 3.45Å
609	K	89.9	Confident	91.6	Very high	115 Å²	115	60.4 Å²	60.4	50%	0.5	29%	0.294	S	S	.	.			trans	-71.9	93.1	-179.6	-168.7	-177.1	-176.5	-176.3	0	110.1	D604 T607 K611 S612	D604-K609 HydrophobicContact CB-CB 4.27Å; D604-K609 PolarHBondContact O-N 2.85Å; D604-K609 WeakPolarHBondContact OD1-CD 3.37Å; D604-K609 IonicContact OD1-NZ 3.65Å; T607-K609 VanDerWaalsContact C-N 3.35Å; T607-K609 PolarHBondContact O-N 2.7Å; K609-K611 PolarHBondContact O-N 3.02Å; K609-S612 VanDerWaalsContact O-CB 3.27Å; K609-S612 WeakPolarHBondContact O-CB 3.48Å; K609-S612 PolarHBondContact O-N 3.39Å; K609-S612 PolarHBondContact O-OG 2.9Å
610	H	75.8	Confident	90.9	Very high	163 Å²	163	63 Å²	63	76%	0.755	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-19.4	-172.4	-66.2	-70.4	0	0	0	116.1	R608	R608-H610 PolarHBondContact O-N 3.04Å
611	K	84.1	Confident	89.9	Confident	180 Å²	180	64 Å²	64	78%	0.783	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-1.2	176.8	-64.3	-173.1	179	-177.2	0	114.3	K609 K616	K609-K611 PolarHBondContact O-N 3.02Å; K611-K616 WeakPolarHBondContact O-CE 3.3Å; K611-K616 PolarHBondContact O-NZ 3.46Å
612	S	91.2	Very high	88.4	Confident	5 Å²	5	67 Å²	67	4%	0.035	34%	0.344	C	S	.	.			trans	-67.2	148.7	-179.4	60.3	0	0	0	0	112	D604 K609 L615 K616	D604-S612 VanDerWaalsContact CB-CB 3.49Å; D604-S612 VanDerWaalsContact CG-CB 3.46Å; D604-S612 WeakPolarHBondContact OD2-CB 3.29Å; K609-S612 VanDerWaalsContact O-CB 3.27Å; K609-S612 WeakPolarHBondContact O-CB 3.48Å; K609-S612 PolarHBondContact O-N 3.39Å; K609-S612 PolarHBondContact O-OG 2.9Å; S612-L615 WeakPolarHBondContact OG-CB 3.37Å; S612-L615 WeakPolarHBondContact OG-CD1 3.41Å; S612-L615 WeakPolarHBondContact OG-CG 3.37Å; S612-K616 WeakPolarHBondContact O-CG 3.41Å; S612-K616 PolarHBondContact O-N 3.47Å
613	E	92.9	Very high	86.8	Confident	100 Å²	100	70.4 Å²	70.4	47%	0.467	37%	0.371	S	S	.	.	H	α-helix	trans	-68.1	-45.1	-176.5	-166.2	59.6	-163.7	0	0	111.7	L615 K616 L617	E613-L615 VanDerWaalsContact C-N 3.34Å; E613-L615 PolarHBondContact O-N 3.45Å; E613-K616 WeakPolarHBondContact O-CB 3.2Å; E613-K616 PolarHBondContact O-N 2.98Å; E613-K616 VanDerWaalsContact O-N 3.09Å; E613-K616 IonicContact OE2-NZ 2.52Å; E613-L617 HydrophobicContact CG-CD1 4.19Å; E613-L617 WeakPolarHBondContact O-CG 3.31Å; E613-L617 PolarHBondContact O-N 3.25Å
614	I	94	Very high	85.8	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.005	37%	0.365	C	S	.	.	H	α-helix	trans	-58.8	-41	178.5	-167.4	170	0	0	0	113.3	V599 E602 D604 I605 K616 L617 L618 Y712	V599-I614 HydrophobicContact CG1-CD1 4.01Å; E602-I614 HydrophobicContact CB-CD1 4.04Å; E602-I614 HydrophobicContact CG-CD1 3.77Å; D604-I614 HydrophobicContact CB-CG2 4.08Å; I605-I614 HydrophobicContact CD1-CD1 3.84Å; I605-I614 HydrophobicContact CD1-CG1 4.29Å; I605-I614 HydrophobicContact CG1-CD1 4.31Å; I605-I614 HydrophobicContact CG1-CG2 4.09Å; I614-K616 VanDerWaalsContact C-N 3.32Å; I614-K616 PolarHBondContact O-N 3.29Å; I614-L617 PolarHBondContact O-N 3.07Å; I614-L618 HydrophobicContact CG1-CD1 3.97Å; I614-L618 HydrophobicContact CG1-CG 4.46Å; I614-L618 WeakPolarHBondContact O-CB 3.37Å; I614-L618 VanDerWaalsContact O-CG 3.31Å; I614-L618 WeakPolarHBondContact O-CG 3.34Å; I614-L618 PolarHBondContact O-N 3.32Å; I614-Y712 HydrophobicContact CB-CD1 4.42Å; I614-Y712 HydrophobicContact CB-CD2 4.43Å; I614-Y712 HydrophobicContact CB-CE1 3.9Å; I614-Y712 HydrophobicContact CB-CE2 3.95Å; I614-Y712 HydrophobicContact CD1-CD1 3.71Å; I614-Y712 HydrophobicContact CD1-CE1 3.89Å; I614-Y712 HydrophobicContact CD1-CG 4.13Å; I614-Y712 HydrophobicContact CG1-CD1 4.29Å; I614-Y712 HydrophobicContact CG1-CD2 4.42Å; I614-Y712 HydrophobicContact CG1-CE1 4.26Å; I614-Y712 HydrophobicContact CG1-CE2 4.44Å; I614-Y712 HydrophobicContact CG1-CG 4.38Å
615	L	92.2	Very high	83.9	Confident	25 Å²	25	76.7 Å²	76.7	13%	0.131	39%	0.392	C	S	.	.	H	α-helix	trans	-71.2	-29.4	178.9	-73.9	177.2	0	0	0	111.8	I605 S612 E613 Q619	I605-L615 HydrophobicContact CG1-CD2 4Å; I605-L615 HydrophobicContact CG1-CG 4.44Å; S612-L615 WeakPolarHBondContact OG-CB 3.37Å; S612-L615 WeakPolarHBondContact OG-CD1 3.41Å; S612-L615 WeakPolarHBondContact OG-CG 3.37Å; E613-L615 VanDerWaalsContact C-N 3.34Å; E613-L615 PolarHBondContact O-N 3.45Å; L615-Q619 VanDerWaalsContact O-CG 3.27Å; L615-Q619 WeakPolarHBondContact O-CG 3.29Å; L615-Q619 PolarHBondContact O-N 3.42Å
616	K	92.3	Very high	82.9	Confident	116 Å²	116	81.7 Å²	81.7	50%	0.504	43%	0.427	S	S	.	.	H	α-helix	trans	-69.9	-43.8	172.4	-67.9	172.7	-166.9	163.8	0	111.4	K611 S612 E613 I614 L618 Q619	K611-K616 WeakPolarHBondContact O-CE 3.3Å; K611-K616 PolarHBondContact O-NZ 3.46Å; S612-K616 WeakPolarHBondContact O-CG 3.41Å; S612-K616 PolarHBondContact O-N 3.47Å; E613-K616 WeakPolarHBondContact O-CB 3.2Å; E613-K616 PolarHBondContact O-N 2.98Å; E613-K616 VanDerWaalsContact O-N 3.09Å; E613-K616 IonicContact OE2-NZ 2.52Å; I614-K616 VanDerWaalsContact C-N 3.32Å; I614-K616 PolarHBondContact O-N 3.29Å; K616-L618 VanDerWaalsContact C-N 3.28Å; K616-L618 PolarHBondContact O-N 3.33Å; K616-Q619 WeakPolarHBondContact O-CB 3.44Å; K616-Q619 PolarHBondContact O-N 2.89Å; K616-Q619 VanDerWaalsContact O-N 3.17Å
617	L	93.4	Very high	82.8	Confident	47 Å²	47	79.3 Å²	79.3	25%	0.246	42%	0.418	C	S	.	.	H	α-helix	trans	-60.3	-38.8	178	-70.4	166.9	0	0	0	111.8	E613 I614 Q619 K706 L707 T710 Y712	E613-L617 HydrophobicContact CG-CD1 4.19Å; E613-L617 WeakPolarHBondContact O-CG 3.31Å; E613-L617 PolarHBondContact O-N 3.25Å; I614-L617 PolarHBondContact O-N 3.07Å; L617-Q619 VanDerWaalsContact C-N 3.3Å; L617-Q619 PolarHBondContact O-N 3.49Å; L617-K706 VanDerWaalsContact O-CD 3.27Å; L617-K706 WeakPolarHBondContact O-CD 3.3Å; L617-L707 HydrophobicContact CB-CD2 4.2Å; L617-L707 HydrophobicContact CD1-CD2 4.23Å; L617-T710 HydrophobicContact CD1-CG2 3.91Å; L617-T710 HydrophobicContact CD2-CG2 4.4Å; L617-Y712 HydrophobicContact CD1-CD2 4.04Å; L617-Y712 HydrophobicContact CD1-CE2 3.99Å
618	L	92.4	Very high	82.9	Confident	3 Å²	3	75.6 Å²	75.6	2%	0.016	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	1.8	179.1	-66.8	172.9	0	0	0	114.5	I605 I614 K616 V659 L663 Y702 V703 K706 L707	I605-L618 HydrophobicContact CD1-CD1 3.92Å; I614-L618 HydrophobicContact CG1-CD1 3.97Å; I614-L618 HydrophobicContact CG1-CG 4.46Å; I614-L618 WeakPolarHBondContact O-CB 3.37Å; I614-L618 VanDerWaalsContact O-CG 3.31Å; I614-L618 WeakPolarHBondContact O-CG 3.34Å; I614-L618 PolarHBondContact O-N 3.32Å; K616-L618 VanDerWaalsContact C-N 3.28Å; K616-L618 PolarHBondContact O-N 3.33Å; L618-V659 HydrophobicContact CB-CB 4.42Å; L618-V659 HydrophobicContact CB-CG1 4.29Å; L618-V659 HydrophobicContact CD2-CG1 4.36Å; L618-V659 WeakPolarHBondContact O-CG2 3.42Å; L618-L663 HydrophobicContact CD1-CD1 3.73Å; L618-L663 HydrophobicContact CD2-CD1 4.5Å; L618-Y702 PolarHBondContact O-OH 2.91Å; L618-V703 HydrophobicContact CD2-CG2 4.46Å; L618-K706 HydrophobicContact CD2-CB 4.32Å; L618-L707 HydrophobicContact CD2-CD1 4.41Å; L618-L707 HydrophobicContact CD2-CD2 4.38Å; L618-L707 HydrophobicContact CD2-CG 4.38Å
619	Q	88	Confident	83	Confident	115 Å²	115	74.5 Å²	74.5	54%	0.537	39%	0.393	S	S	.	.	S	Bend	trans	-75.5	138.7	173.2	-72.9	-78.4	-24.9	0	0	110	L615 K616 L617 Y702	L615-Q619 VanDerWaalsContact O-CG 3.27Å; L615-Q619 WeakPolarHBondContact O-CG 3.29Å; L615-Q619 PolarHBondContact O-N 3.42Å; K616-Q619 WeakPolarHBondContact O-CB 3.44Å; K616-Q619 PolarHBondContact O-N 2.89Å; K616-Q619 VanDerWaalsContact O-N 3.17Å; L617-Q619 VanDerWaalsContact C-N 3.3Å; L617-Q619 PolarHBondContact O-N 3.49Å; Q619-Y702 PolarHBondContact O-OH 3.23Å
620	P	82.4	Confident	83.1	Confident	53 Å²	53	72.6 Å²	72.6	34%	0.344	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-58.4	138.6	171.2	-22.4	32.9	0	0	0	111.7	E624 Y702	P620-E624 VanDerWaalsContact CA-OE2 3.26Å; P620-E624 WeakPolarHBondContact CA-OE2 3.03Å; P620-E624 HydrophobicContact CB-CB 4.42Å; P620-Y702 WeakPolarHBondContact CA-OH 3.47Å
621	G	76.4	Confident	83.8	Confident	22 Å²	22	71.8 Å²	71.8	23%	0.227	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-72.5	165.8	174.5	0	0	0	0	0	112.7	S623 E624	G621-S623 PolarHBondContact O-N 2.99Å; G621-E624 PolarHBondContact N-OE2 3.38Å; G621-E624 PolarHBondContact O-N 3.42Å
622	P	65.6	Low	84.3	Confident	129 Å²	129	63.2 Å²	63.2	84%	0.838	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.2	-179.4	-8.7	17.5	0	0	0	114.7	H625	P622-H625 PolarHBondContact O-CE1 3.25Å; P622-H625 PolarHBondContact O-NE2 3Å; P622-H625 VanDerWaalsContact O-NE2 3.12Å
623	S	62.3	Low	84.5	Confident	104 Å²	104	64.6 Å²	64.6	73%	0.727	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	0.7	-179.1	56.3	0	0	0	0	114	G621 H625	G621-S623 PolarHBondContact O-N 2.99Å; S623-H625 PolarHBondContact O-N 3.08Å
624	E	72.5	Confident	84.5	Confident	73 Å²	73	65 Å²	65	34%	0.341	36%	0.362	S	S	.	.			trans	-93.7	87.6	-179.3	-68.4	171.2	-174	0	0	108.9	P620 G621 K706	P620-E624 VanDerWaalsContact CA-OE2 3.26Å; P620-E624 WeakPolarHBondContact CA-OE2 3.03Å; P620-E624 HydrophobicContact CB-CB 4.42Å; G621-E624 PolarHBondContact N-OE2 3.38Å; G621-E624 PolarHBondContact O-N 3.42Å; E624-K706 VanDerWaalsContact CD-NZ 3.29Å; E624-K706 IonicContact OE1-NZ 3.77Å; E624-K706 PolarHBondContact OE1-NZ 3.35Å; E624-K706 IonicContact OE2-NZ 2.74Å; E624-K706 PolarHBondContact OE2-NZ 2.97Å
625	H	55.2	Low	84.4	Confident	158 Å²	158	69.8 Å²	69.8	73%	0.731	38%	0.383	S	S	*	.			trans	-100.8	6.8	-164.9	-68.1	-43.1	0	0	0	117.5	P622 S623	P622-H625 PolarHBondContact O-CE1 3.25Å; P622-H625 PolarHBondContact O-NE2 3Å; P622-H625 VanDerWaalsContact O-NE2 3.12Å; S623-H625 PolarHBondContact O-N 3.08Å
626	S	72	Confident	84.4	Confident	106 Å²	106	69 Å²	69	74%	0.741	38%	0.379	S	S	*	.			trans	-167.2	101.6	172.7	172.4	0	0	0	0	111.3
627	V	86.3	Confident	84.3	Confident	23 Å²	23	66.8 Å²	66.8	14%	0.139	37%	0.373	C	S	.	.			trans	-109.8	151.9	169.7	-68.6	0	0	0	0	110.6	F629 D630 D698 Y702	V627-F629 HydrophobicContact CB-CD1 4.33Å; V627-F629 HydrophobicContact CB-CD2 4.29Å; V627-F629 HydrophobicContact CB-CE1 3.92Å; V627-F629 HydrophobicContact CB-CE2 3.89Å; V627-F629 HydrophobicContact CB-CG 4.49Å; V627-F629 HydrophobicContact CB-CZ 3.68Å; V627-F629 HydrophobicContact CG1-CE1 4.46Å; V627-F629 HydrophobicContact CG1-CE2 4.38Å; V627-F629 HydrophobicContact CG1-CZ 3.96Å; V627-F629 HydrophobicContact CG2-CD2 3.71Å; V627-F629 HydrophobicContact CG2-CE1 4.38Å; V627-F629 HydrophobicContact CG2-CE2 3.48Å; V627-F629 VanDerWaalsContact CG2-CE2 3.48Å; V627-F629 HydrophobicContact CG2-CG 4.27Å; V627-F629 HydrophobicContact CG2-CZ 3.84Å; V627-F629 PolarHBondContact O-N 3.48Å; V627-D630 HydrophobicContact CG2-CB 4.43Å; V627-D630 VanDerWaalsContact CG2-CG 3.45Å; V627-D630 WeakPolarHBondContact CG2-OD1 3.3Å; V627-D630 PolarHBondContact N-OD2 3.03Å; V627-D630 PolarHBondContact O-N 2.99Å; V627-D698 VanDerWaalsContact CA-OD2 3.3Å; V627-D698 WeakPolarHBondContact CA-OD2 3.47Å; V627-D698 WeakPolarHBondContact CB-OD2 3.4Å; V627-Y702 HydrophobicContact CG1-CD2 4.43Å
628	S	91.9	Very high	84	Confident	22 Å²	22	68.2 Å²	68.2	15%	0.154	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-19	-176.3	82	0	0	0	0	112.6	K635 F696 D698	S628-K635 WeakPolarHBondContact O-CD 3.27Å; S628-K635 WeakPolarHBondContact O-CE 3.33Å; S628-K635 PolarHBondContact O-NZ 3.02Å; S628-F696 WeakPolarHBondContact OG-CA 3.46Å; S628-D698 WeakPolarHBondContact CB-OD1 3.22Å; S628-D698 PolarHBondContact N-OD2 3.31Å; S628-D698 PolarHBondContact OG-OD1 3.42Å
629	F	92.6	Very high	83.7	Confident	5 Å²	5	72 Å²	72	2%	0.022	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	11	-176.1	45.1	-93	0	0	0	114.9	V627 K631 W632 V659 L662 F696 D698 L699 Y702	V627-F629 HydrophobicContact CB-CD1 4.33Å; V627-F629 HydrophobicContact CB-CD2 4.29Å; V627-F629 HydrophobicContact CB-CE1 3.92Å; V627-F629 HydrophobicContact CB-CE2 3.89Å; V627-F629 HydrophobicContact CB-CG 4.49Å; V627-F629 HydrophobicContact CB-CZ 3.68Å; V627-F629 HydrophobicContact CG1-CE1 4.46Å; V627-F629 HydrophobicContact CG1-CE2 4.38Å; V627-F629 HydrophobicContact CG1-CZ 3.96Å; V627-F629 HydrophobicContact CG2-CD2 3.71Å; V627-F629 HydrophobicContact CG2-CE1 4.38Å; V627-F629 HydrophobicContact CG2-CE2 3.48Å; V627-F629 VanDerWaalsContact CG2-CE2 3.48Å; V627-F629 HydrophobicContact CG2-CG 4.27Å; V627-F629 HydrophobicContact CG2-CZ 3.84Å; V627-F629 PolarHBondContact O-N 3.48Å; F629-K631 PolarHBondContact O-N 2.77Å; F629-W632 HydrophobicContact CB-CB 4Å; F629-W632 WeakPolarHBondContact O-CB 3.3Å; F629-W632 PolarHBondContact O-N 3.13Å; F629-W632 VanDerWaalsContact O-N 3.15Å; F629-V659 HydrophobicContact CD2-CG2 4.03Å; F629-V659 HydrophobicContact CE2-CG2 3.73Å; F629-L662 HydrophobicContact CB-CD2 3.43Å; F629-L662 VanDerWaalsContact CB-CD2 3.43Å; F629-L662 HydrophobicContact CG-CD2 4.02Å; F629-F696 HydrophobicContact CB-CD1 3.8Å; F629-F696 HydrophobicContact CB-CE1 4.21Å; F629-F696 HydrophobicContact CB-CG 4.43Å; F629-F696 HydrophobicContact CD1-CB 4.45Å; F629-D698 WeakPolarHBondContact CD1-OD1 3.21Å; F629-D698 WeakPolarHBondContact CE1-OD1 3.46Å; F629-L699 HydrophobicContact CD1-CB 4.01Å; F629-L699 HydrophobicContact CD1-CD1 3.93Å; F629-L699 HydrophobicContact CE1-CB 4.02Å; F629-L699 HydrophobicContact CE1-CD1 3.9Å; F629-L699 HydrophobicContact CE2-CD1 4.49Å; F629-L699 HydrophobicContact CG-CD1 4.26Å; F629-L699 HydrophobicContact CZ-CD1 4.19Å; F629-Y702 HydrophobicContact CE1-CG 4.47Å; F629-Y702 HydrophobicContact CE2-CD1 4.22Å; F629-Y702 HydrophobicContact CE2-CE1 4.33Å; F629-Y702 HydrophobicContact CE2-CG 4.35Å; F629-Y702 AromaticContact CZ-CD1 3.82Å; F629-Y702 HydrophobicContact CZ-CD1 3.82Å; F629-Y702 AromaticContact CZ-CD2 3.89Å; F629-Y702 HydrophobicContact CZ-CD2 3.89Å; F629-Y702 HydrophobicContact CZ-CE1 4.34Å; F629-Y702 HydrophobicContact CZ-CE2 4.39Å; F629-Y702 AromaticContact CZ-CG 3.57Å; F629-Y702 HydrophobicContact CZ-CG 3.57Å
630	D	90.6	Very high	83.7	Confident	75 Å²	75	66.5 Å²	66.5	40%	0.401	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-36.4	178.4	-80.9	-34.4	0	0	0	113.5	V627 N657	V627-D630 HydrophobicContact CG2-CB 4.43Å; V627-D630 VanDerWaalsContact CG2-CG 3.45Å; V627-D630 WeakPolarHBondContact CG2-OD1 3.3Å; V627-D630 PolarHBondContact N-OD2 3.03Å; V627-D630 PolarHBondContact O-N 2.99Å; D630-N657 WeakPolarHBondContact O-CB 3.43Å
631	K	92.1	Very high	84.1	Confident	146 Å²	146	64.7 Å²	64.7	64%	0.635	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.6	46.7	173.9	-64.1	-178.1	-176.8	174.3	0	110.7	F629 T633 T634 N657	F629-K631 PolarHBondContact O-N 2.77Å; K631-T633 PolarHBondContact O-N 3Å; K631-T633 VanDerWaalsContact O-N 3.09Å; K631-T634 PolarHBondContact O-N 2.8Å; K631-T634 PolarHBondContact O-OG1 3.44Å; K631-N657 WeakPolarHBondContact CA-OD1 3.44Å
632	W	94.8	Very high	84.7	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-56.1	-30.3	-171.7	71.4	-96.2	0	0	0	113.8	F629 T634 K635 I636 M641 Y655 Q656 N657 T658 D661 L662 F665 F696	F629-W632 HydrophobicContact CB-CB 4Å; F629-W632 WeakPolarHBondContact O-CB 3.3Å; F629-W632 PolarHBondContact O-N 3.13Å; F629-W632 VanDerWaalsContact O-N 3.15Å; W632-T634 PolarHBondContact O-N 3.39Å; W632-T634 VanDerWaalsContact O-N 3.14Å; W632-K635 PolarHBondContact O-N 3.37Å; W632-I636 HydrophobicContact CE3-CG1 3.8Å; W632-I636 HydrophobicContact CZ3-CG1 4.03Å; W632-I636 PolarHBondContact O-N 3.15Å; W632-M641 HydrophobicContact CH2-CE 3.9Å; W632-M641 HydrophobicContact CH2-SD 4.36Å; W632-M641 HydrophobicContact CZ3-CE 4.08Å; W632-M641 HydrophobicContact CZ3-SD 3.99Å; W632-Y655 HydrophobicContact CH2-CD1 4.13Å; W632-Y655 AromaticContact CH2-CG 3.99Å; W632-Y655 HydrophobicContact CH2-CG 3.99Å; W632-Y655 HydrophobicContact CZ2-CD1 4.38Å; W632-Y655 HydrophobicContact CZ2-CG 4.41Å; W632-Q656 PolarHBondContact NE1-O 3.25Å; W632-Q656 VanDerWaalsContact NE1-O 3.17Å; W632-N657 PolarHBondContact N-OD1 3.27Å; W632-N657 VanDerWaalsContact N-OD1 3.17Å; W632-T658 PolarHBondContact NE1-O 3.09Å; W632-D661 HydrophobicContact CZ2-CB 4.08Å; W632-L662 HydrophobicContact CB-CD1 4.29Å; W632-L662 HydrophobicContact CB-CD2 4.08Å; W632-L662 HydrophobicContact CD2-CB 3.95Å; W632-L662 HydrophobicContact CD2-CD1 3.72Å; W632-L662 HydrophobicContact CD2-CG 4.29Å; W632-L662 HydrophobicContact CE3-CD1 3.65Å; W632-L662 HydrophobicContact CG-CB 4.02Å; W632-L662 HydrophobicContact CG-CD1 4.02Å; W632-L662 HydrophobicContact CG-CD2 4.12Å; W632-L662 HydrophobicContact CG-CG 4.28Å; W632-L662 HydrophobicContact CZ2-CB 4.32Å; W632-L662 HydrophobicContact CZ3-CD1 4.2Å; W632-F665 HydrophobicContact CH2-CB 3.59Å; W632-F665 HydrophobicContact CH2-CD1 4.5Å; W632-F665 AromaticContact CH2-CD2 3.85Å; W632-F665 HydrophobicContact CH2-CD2 3.85Å; W632-F665 AromaticContact CH2-CG 3.74Å; W632-F665 HydrophobicContact CH2-CG 3.74Å; W632-F665 HydrophobicContact CZ2-CB 4.4Å; W632-F665 HydrophobicContact CZ3-CB 3.96Å; W632-F665 HydrophobicContact CZ3-CD1 4.02Å; W632-F665 AromaticContact CZ3-CD2 3.85Å; W632-F665 HydrophobicContact CZ3-CD2 3.85Å; W632-F665 HydrophobicContact CZ3-CE2 4.34Å; W632-F665 AromaticContact CZ3-CG 3.68Å; W632-F665 HydrophobicContact CZ3-CG 3.68Å; W632-F696 HydrophobicContact CB-CE1 3.57Å; W632-F696 HydrophobicContact CB-CZ 3.7Å
633	T	94.1	Very high	85.8	Confident	33 Å²	33	66.9 Å²	66.9	20%	0.202	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-63.3	-22.7	-179.6	63.3	0	0	0	0	113.1	K631 M641 N657	K631-T633 PolarHBondContact O-N 3Å; K631-T633 VanDerWaalsContact O-N 3.09Å; T633-M641 HydrophobicContact CG2-CE 3.77Å; T633-N657 WeakPolarHBondContact CG2-OD1 3.19Å; T633-N657 PolarHBondContact N-OD1 3.42Å; T633-N657 PolarHBondContact OG1-ND2 3.36Å; T633-N657 PolarHBondContact OG1-OD1 3.27Å
634	T	93.1	Very high	87	Confident	108 Å²	108	62 Å²	62	66%	0.663	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-88.3	-13.6	176.3	67.9	0	0	0	0	113	K631 W632	K631-T634 PolarHBondContact O-N 2.8Å; K631-T634 PolarHBondContact O-OG1 3.44Å; W632-T634 PolarHBondContact O-N 3.39Å; W632-T634 VanDerWaalsContact O-N 3.14Å
635	K	93	Very high	87.9	Confident	103 Å²	103	59.9 Å²	59.9	45%	0.448	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-19.3	179.4	-62.9	-166.8	174.5	-172.4	0	112.9	S628 W632 T695 F696	S628-K635 WeakPolarHBondContact O-CD 3.27Å; S628-K635 WeakPolarHBondContact O-CE 3.33Å; S628-K635 PolarHBondContact O-NZ 3.02Å; W632-K635 PolarHBondContact O-N 3.37Å; K635-T695 HydrophobicContact CB-CG2 4.08Å; K635-F696 HydrophobicContact CB-CE1 3.98Å; K635-F696 HydrophobicContact CB-CZ 4.15Å; K635-F696 HydrophobicContact CD-CD1 4.48Å; K635-F696 HydrophobicContact CD-CE1 3.93Å; K635-F696 HydrophobicContact CG-CE1 4.47Å
636	I	92.1	Very high	89.4	Confident	9 Å²	9	57.7 Å²	57.7	5%	0.046	31%	0.31	C	S	.	.	S	Bend	trans	-78.2	143.4	173.9	-60.1	-60.6	0	0	0	110.4	W632 A638 V640 M641 F665 Y691 F692 F696	W632-I636 HydrophobicContact CE3-CG1 3.8Å; W632-I636 HydrophobicContact CZ3-CG1 4.03Å; W632-I636 PolarHBondContact O-N 3.15Å; I636-A638 PolarHBondContact O-N 2.71Å; I636-V640 HydrophobicContact CG2-CB 4.17Å; I636-V640 HydrophobicContact CG2-CG1 4.25Å; I636-M641 HydrophobicContact CB-SD 4.5Å; I636-M641 HydrophobicContact CG2-CB 4.16Å; I636-M641 HydrophobicContact CG2-SD 4.4Å; I636-F665 HydrophobicContact CD1-CE1 4.11Å; I636-F665 HydrophobicContact CG1-CE1 4.3Å; I636-F665 HydrophobicContact CG1-CZ 4.41Å; I636-F665 HydrophobicContact CG2-CE1 4.35Å; I636-F665 HydrophobicContact CG2-CZ 3.8Å; I636-Y691 HydrophobicContact CD1-CE1 3.92Å; I636-Y691 WeakPolarHBondContact CD1-OH 3.43Å; I636-F692 HydrophobicContact CD1-CE1 4.21Å; I636-F696 HydrophobicContact CD1-CE2 3.77Å; I636-F696 HydrophobicContact CD1-CZ 3.85Å; I636-F696 HydrophobicContact CG1-CZ 4.34Å
637	N	89.3	Confident	90	Very high	69 Å²	69	57.8 Å²	57.8	37%	0.369	30%	0.297	S	S	.	.			trans	-54.6	129.1	174.4	179.8	-81	0	0	0	111.2	D639 V640 M641	N637-D639 VanDerWaalsContact C-N 3.26Å; N637-D639 PolarHBondContact O-N 3.46Å; N637-D639 VanDerWaalsContact O-N 3.16Å; N637-D639 WeakPolarHBondContact OD1-CB 3.47Å; N637-D639 PolarHBondContact OD1-N 2.98Å; N637-V640 HydrophobicContact CB-CB 4.31Å; N637-V640 HydrophobicContact CB-CG2 3.9Å; N637-V640 WeakPolarHBondContact O-CB 3.48Å; N637-V640 PolarHBondContact O-N 2.89Å; N637-V640 PolarHBondContact OD1-N 3.35Å; N637-M641 PolarHBondContact O-N 2.95Å
638	A	87.6	Confident	90.1	Very high	77 Å²	77	59 Å²	59	64%	0.636	30%	0.299	S	S	*	.	H	α-helix	trans	-57.4	-35.2	-172.6	0	0	0	0	0	113.8	I636 M641 K642	I636-A638 PolarHBondContact O-N 2.71Å; A638-M641 PolarHBondContact O-N 3.41Å; A638-K642 VanDerWaalsContact O-CB 3.27Å; A638-K642 WeakPolarHBondContact O-CB 3.3Å; A638-K642 PolarHBondContact O-N 3.04Å
639	D	86.7	Confident	89.7	Confident	81 Å²	81	65.4 Å²	65.4	43%	0.433	32%	0.324	S	S	.	.	H	α-helix	trans	-70.8	-37.9	178	-66.4	-39.8	0	0	0	112	N637 K643 K684	N637-D639 VanDerWaalsContact C-N 3.26Å; N637-D639 PolarHBondContact O-N 3.46Å; N637-D639 VanDerWaalsContact O-N 3.16Å; N637-D639 WeakPolarHBondContact OD1-CB 3.47Å; N637-D639 PolarHBondContact OD1-N 2.98Å; D639-K643 WeakPolarHBondContact O-CB 3.34Å; D639-K643 WeakPolarHBondContact O-CG 3.28Å; D639-K643 PolarHBondContact O-N 3.29Å; D639-K643 VanDerWaalsContact O-N 3.1Å; D639-K684 IonicContact OD2-NZ 3.67Å; D639-K684 PolarHBondContact OD2-NZ 3.11Å
640	V	87.8	Confident	89.2	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-65.7	-47.2	175.3	-177.9	0	0	0	0	109.2	I636 N637 K642 K643 M644 F665 L669 I681 I685	I636-V640 HydrophobicContact CG2-CB 4.17Å; I636-V640 HydrophobicContact CG2-CG1 4.25Å; N637-V640 HydrophobicContact CB-CB 4.31Å; N637-V640 HydrophobicContact CB-CG2 3.9Å; N637-V640 WeakPolarHBondContact O-CB 3.48Å; N637-V640 PolarHBondContact O-N 2.89Å; N637-V640 PolarHBondContact OD1-N 3.35Å; V640-K642 PolarHBondContact O-N 2.97Å; V640-K643 PolarHBondContact O-N 3.29Å; V640-M644 HydrophobicContact CG1-CG 4.41Å; V640-M644 WeakPolarHBondContact O-CB 3.24Å; V640-M644 VanDerWaalsContact O-CG 3.3Å; V640-M644 WeakPolarHBondContact O-CG 3.18Å; V640-M644 PolarHBondContact O-N 3.38Å; V640-F665 HydrophobicContact CG1-CZ 4.11Å; V640-L669 HydrophobicContact CG1-CD1 4.3Å; V640-I681 HydrophobicContact CB-CG2 4.45Å; V640-I681 HydrophobicContact CG1-CD1 4.38Å; V640-I681 HydrophobicContact CG1-CG2 3.92Å; V640-I681 HydrophobicContact CG2-CG1 4.5Å; V640-I681 HydrophobicContact CG2-CG2 3.85Å; V640-I685 HydrophobicContact CG2-CG2 4.06Å
641	M	90.9	Very high	88.6	Confident	15 Å²	15	78 Å²	78	7%	0.074	38%	0.382	C	S	.	.	H	α-helix	trans	-61.9	-43.8	179.4	-165.1	62.4	-165.1	0	0	112.2	W632 T633 I636 N637 A638 M644 N645 Y655 F665	W632-M641 HydrophobicContact CH2-CE 3.9Å; W632-M641 HydrophobicContact CH2-SD 4.36Å; W632-M641 HydrophobicContact CZ3-CE 4.08Å; W632-M641 HydrophobicContact CZ3-SD 3.99Å; T633-M641 HydrophobicContact CG2-CE 3.77Å; I636-M641 HydrophobicContact CB-SD 4.5Å; I636-M641 HydrophobicContact CG2-CB 4.16Å; I636-M641 HydrophobicContact CG2-SD 4.4Å; N637-M641 PolarHBondContact O-N 2.95Å; A638-M641 PolarHBondContact O-N 3.41Å; M641-M644 PolarHBondContact O-N 2.95Å; M641-N645 WeakPolarHBondContact O-CB 3.37Å; M641-N645 PolarHBondContact O-N 3.31Å; M641-N645 PolarHBondContact O-ND2 3.38Å; M641-Y655 HydrophobicContact CE-CD2 3.81Å; M641-Y655 HydrophobicContact CE-CG 4.02Å; M641-F665 HydrophobicContact SD-CD2 4.26Å; M641-F665 HydrophobicContact SD-CE2 3.78Å; M641-F665 HydrophobicContact SD-CZ 4.5Å
642	K	88.8	Confident	88	Confident	138 Å²	138	73.4 Å²	73.4	60%	0.6	38%	0.377	S	S	*	.	H	α-helix	trans	-59.3	-50.6	176.4	-177.3	-179.3	177.2	-178.5	0	111.3	A638 V640 M644 N645 E646	A638-K642 VanDerWaalsContact O-CB 3.27Å; A638-K642 WeakPolarHBondContact O-CB 3.3Å; A638-K642 PolarHBondContact O-N 3.04Å; V640-K642 PolarHBondContact O-N 2.97Å; K642-M644 PolarHBondContact O-N 3.44Å; K642-N645 PolarHBondContact O-N 3.44Å; K642-E646 WeakPolarHBondContact O-CG 3.22Å; K642-E646 PolarHBondContact O-N 3.29Å; K642-E646 VanDerWaalsContact O-N 3.09Å
643	K	87.4	Confident	87.6	Confident	60 Å²	60	76.4 Å²	76.4	26%	0.261	39%	0.393	S	S	.	.	H	α-helix	trans	-62.1	-41.6	179	-78.1	-176	170.7	-165.5	0	112.5	D639 V640 N645 E646 I681	D639-K643 WeakPolarHBondContact O-CB 3.34Å; D639-K643 WeakPolarHBondContact O-CG 3.28Å; D639-K643 PolarHBondContact O-N 3.29Å; D639-K643 VanDerWaalsContact O-N 3.1Å; V640-K643 PolarHBondContact O-N 3.29Å; K643-N645 VanDerWaalsContact C-N 3.29Å; K643-N645 PolarHBondContact O-N 3.34Å; K643-E646 WeakPolarHBondContact O-CB 3.17Å; K643-E646 PolarHBondContact O-N 3.24Å; K643-I681 HydrophobicContact CB-CD1 3.85Å; K643-I681 HydrophobicContact CD-CD1 3.5Å; K643-I681 VanDerWaalsContact CD-CD1 3.5Å; K643-I681 HydrophobicContact CD-CG1 3.73Å; K643-I681 HydrophobicContact CG-CD1 4.33Å
644	M	88.4	Confident	87.5	Confident	0 Å²	0	79.4 Å²	79.4	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-67.5	-30.6	177.2	-68.5	-58	-67.5	0	0	112.5	V640 M641 K642 F647 Y655 F665 N668 L669	V640-M644 HydrophobicContact CG1-CG 4.41Å; V640-M644 WeakPolarHBondContact O-CB 3.24Å; V640-M644 VanDerWaalsContact O-CG 3.3Å; V640-M644 WeakPolarHBondContact O-CG 3.18Å; V640-M644 PolarHBondContact O-N 3.38Å; M641-M644 PolarHBondContact O-N 2.95Å; K642-M644 PolarHBondContact O-N 3.44Å; M644-F647 HydrophobicContact SD-CE2 4.25Å; M644-Y655 HydrophobicContact CB-CE2 4.02Å; M644-F665 HydrophobicContact CB-CD2 4.11Å; M644-F665 HydrophobicContact CB-CE2 3.56Å; M644-F665 HydrophobicContact CB-CZ 4.49Å; M644-F665 HydrophobicContact CG-CD2 4.3Å; M644-F665 HydrophobicContact CG-CE2 3.54Å; M644-F665 HydrophobicContact CG-CZ 4.02Å; M644-N668 HydrophobicContact CE-CB 3.57Å; M644-L669 HydrophobicContact CE-CB 4.08Å; M644-L669 HydrophobicContact CG-CD1 4.34Å; M644-L669 HydrophobicContact SD-CD1 3.88Å
645	N	90.8	Very high	87.6	Confident	30 Å²	30	75 Å²	75	16%	0.16	38%	0.375	C	S	.	.	H	α-helix	trans	-74.7	-22.9	173.5	-87.1	-37.8	0	0	0	113.6	M641 K642 K643 F647 Y648 K649 F654 Y655	M641-N645 WeakPolarHBondContact O-CB 3.37Å; M641-N645 PolarHBondContact O-N 3.31Å; M641-N645 PolarHBondContact O-ND2 3.38Å; K642-N645 PolarHBondContact O-N 3.44Å; K643-N645 VanDerWaalsContact C-N 3.29Å; K643-N645 PolarHBondContact O-N 3.34Å; N645-F647 PolarHBondContact O-N 2.9Å; N645-Y648 PolarHBondContact O-N 3.22Å; N645-K649 PolarHBondContact O-N 3.22Å; N645-F654 HydrophobicContact CB-CD1 3.7Å; N645-F654 HydrophobicContact CB-CE1 4.16Å; N645-Y655 VanDerWaalsContact OD1-CD2 3.29Å; N645-Y655 WeakPolarHBondContact OD1-CD2 3.39Å; N645-Y655 PolarHBondContact OD1-N 3.48Å
646	E	88.1	Confident	87.6	Confident	111 Å²	111	74.9 Å²	74.9	52%	0.519	38%	0.375	S	S	.	.	H	α-helix	trans	-60.2	-32.5	177.7	-76.1	173.5	175.1	0	0	112.3	K642 K643 Y648 K649	K642-E646 WeakPolarHBondContact O-CG 3.22Å; K642-E646 PolarHBondContact O-N 3.29Å; K642-E646 VanDerWaalsContact O-N 3.09Å; K643-E646 WeakPolarHBondContact O-CB 3.17Å; K643-E646 PolarHBondContact O-N 3.24Å; E646-Y648 PolarHBondContact O-N 3.04Å; E646-Y648 VanDerWaalsContact O-N 3.17Å; E646-K649 WeakPolarHBondContact O-CB 3.19Å; E646-K649 PolarHBondContact O-N 3.07Å
647	F	84.3	Confident	87.6	Confident	108 Å²	108	78 Å²	78	47%	0.474	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-24.9	173.8	-68.1	-81.3	0	0	0	113.3	M644 N645	M644-F647 HydrophobicContact SD-CE2 4.25Å; N645-F647 PolarHBondContact O-N 2.9Å
648	Y	87.2	Confident	87.7	Confident	48 Å²	48	77 Å²	77	19%	0.188	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-0.2	-177.2	-62.2	-78.9	0	0	0	113.9	N645 E646 K650 N651 G652 Y655 K664 N668	N645-Y648 PolarHBondContact O-N 3.22Å; E646-Y648 PolarHBondContact O-N 3.04Å; E646-Y648 VanDerWaalsContact O-N 3.17Å; Y648-K650 PolarHBondContact O-N 2.93Å; Y648-K650 VanDerWaalsContact O-N 3.15Å; Y648-N651 PolarHBondContact O-N 3.46Å; Y648-G652 PolarHBondContact O-N 3.44Å; Y648-G652 VanDerWaalsContact O-N 3.15Å; Y648-Y655 HydrophobicContact CD2-CE2 4.1Å; Y648-Y655 HydrophobicContact CE2-CE1 4.4Å; Y648-Y655 AromaticContact CE2-CE2 3.86Å; Y648-Y655 HydrophobicContact CE2-CE2 3.86Å; Y648-Y655 AromaticContact CE2-CZ 3.67Å; Y648-Y655 WeakPolarHBondContact CE2-OH 3.25Å; Y648-K664 WeakPolarHBondContact OH-CE 3.42Å; Y648-N668 PolarHBondContact OH-ND2 2.84Å
649	K	84.7	Confident	88	Confident	157 Å²	157	73.9 Å²	73.9	68%	0.683	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-34.1	-174.6	-170.8	177.4	-179.3	-179	0	113.4	N645 E646 N651 F654	N645-K649 PolarHBondContact O-N 3.22Å; E646-K649 WeakPolarHBondContact O-CB 3.19Å; E646-K649 PolarHBondContact O-N 3.07Å; K649-N651 VanDerWaalsContact C-N 3.34Å; K649-N651 PolarHBondContact O-N 2.85Å; K649-F654 HydrophobicContact CB-CE1 4.46Å
650	K	80.9	Confident	88.4	Confident	204 Å²	204	70.3 Å²	70.3	89%	0.887	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-31.4	179.6	-72	-173	177.1	-178.2	0	113.6	Y648	Y648-K650 PolarHBondContact O-N 2.93Å; Y648-K650 VanDerWaalsContact O-N 3.15Å
651	N	79.5	Confident	88.7	Confident	140 Å²	140	70.3 Å²	70.3	75%	0.749	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	2.9	-173.3	-60.3	10.1	0	0	0	112	Y648 K649 N653	Y648-N651 PolarHBondContact O-N 3.46Å; K649-N651 VanDerWaalsContact C-N 3.34Å; K649-N651 PolarHBondContact O-N 2.85Å; N651-N653 PolarHBondContact O-N 3.07Å
652	G	78.9	Confident	89	Confident	50 Å²	50	69.6 Å²	69.6	52%	0.515	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	7.1	-179.1	0	0	0	0	0	115	Y648 F654	Y648-G652 PolarHBondContact O-N 3.44Å; Y648-G652 VanDerWaalsContact O-N 3.15Å; G652-F654 VanDerWaalsContact C-N 3.33Å; G652-F654 PolarHBondContact O-N 2.95Å; G652-F654 VanDerWaalsContact O-N 3.13Å
653	N	86.1	Confident	89.4	Confident	63 Å²	63	63 Å²	63	34%	0.337	31%	0.312	S	S	.	.			trans	-94	56.9	-166.8	-161.1	27.8	0	0	0	112.4	R608 N651	R608-N653 PolarHBondContact NH1-OD1 3.26Å; N651-N653 PolarHBondContact O-N 3.07Å
654	F	92.3	Very high	89.8	Confident	96 Å²	96	60.5 Å²	60.5	42%	0.421	30%	0.301	S	S	.	.			trans	-62.6	156.9	-179.1	-57.6	-64.5	0	0	0	112.3	R608 N645 K649 G652	R608-F654 PolarHBondContact NH2-O 3.5Å; N645-F654 HydrophobicContact CB-CD1 3.7Å; N645-F654 HydrophobicContact CB-CE1 4.16Å; K649-F654 HydrophobicContact CB-CE1 4.46Å; G652-F654 VanDerWaalsContact C-N 3.33Å; G652-F654 PolarHBondContact O-N 2.95Å; G652-F654 VanDerWaalsContact O-N 3.13Å
655	Y	94.1	Very high	90.2	Very high	17 Å²	17	60.5 Å²	60.5	7%	0.067	30%	0.301	C	S	.	.			trans	-61	140	176.6	-66.8	-79.2	0	0	0	111.6	W632 M641 M644 N645 Y648 D661 K664 F665 N668	W632-Y655 HydrophobicContact CH2-CD1 4.13Å; W632-Y655 AromaticContact CH2-CG 3.99Å; W632-Y655 HydrophobicContact CH2-CG 3.99Å; W632-Y655 HydrophobicContact CZ2-CD1 4.38Å; W632-Y655 HydrophobicContact CZ2-CG 4.41Å; M641-Y655 HydrophobicContact CE-CD2 3.81Å; M641-Y655 HydrophobicContact CE-CG 4.02Å; M644-Y655 HydrophobicContact CB-CE2 4.02Å; N645-Y655 VanDerWaalsContact OD1-CD2 3.29Å; N645-Y655 WeakPolarHBondContact OD1-CD2 3.39Å; N645-Y655 PolarHBondContact OD1-N 3.48Å; Y648-Y655 HydrophobicContact CD2-CE2 4.1Å; Y648-Y655 HydrophobicContact CE2-CE1 4.4Å; Y648-Y655 AromaticContact CE2-CE2 3.86Å; Y648-Y655 HydrophobicContact CE2-CE2 3.86Å; Y648-Y655 AromaticContact CE2-CZ 3.67Å; Y648-Y655 WeakPolarHBondContact CE2-OH 3.25Å; Y655-D661 HydrophobicContact CD1-CB 4.22Å; Y655-K664 HydrophobicContact CE1-CB 4.45Å; Y655-K664 HydrophobicContact CE1-CD 4.3Å; Y655-K664 HydrophobicContact CE1-CG 4.14Å; Y655-F665 HydrophobicContact CD1-CB 4.11Å; Y655-F665 HydrophobicContact CD2-CD2 4.11Å; Y655-F665 HydrophobicContact CE1-CB 3.77Å; Y655-F665 HydrophobicContact CE1-CD2 4.29Å; Y655-F665 AromaticContact CE2-CD2 3.83Å; Y655-F665 HydrophobicContact CE2-CD2 3.83Å; Y655-F665 HydrophobicContact CG-CD2 4.48Å; Y655-F665 AromaticContact CZ-CD2 3.92Å; Y655-N668 PolarHBondContact OH-ND2 3.24Å
656	Q	92.9	Very high	90.4	Very high	99 Å²	99	59.1 Å²	59.1	46%	0.463	29%	0.293	S	S	.	.			trans	-113	159.5	179.1	-57	179.7	1.9	0	0	110.1	R608 W632 T658 D661	R608-Q656 VanDerWaalsContact NH1-NE2 3.16Å; W632-Q656 PolarHBondContact NE1-O 3.25Å; W632-Q656 VanDerWaalsContact NE1-O 3.17Å; Q656-T658 HydrophobicContact CB-CG2 4.39Å; Q656-T658 PolarHBondContact O-N 2.95Å; Q656-D661 PolarHBondContact N-OD2 3.4Å; Q656-D661 VanDerWaalsContact O-CB 3.32Å; Q656-D661 WeakPolarHBondContact O-CB 3.38Å
657	N	92.8	Very high	90.7	Very high	74 Å²	74	55.8 Å²	55.8	40%	0.396	28%	0.276	S	S	.	.	S	Bend	trans	-74.1	66.4	175.7	-74.1	-53.1	0	0	0	111.5	D630 K631 W632 T633	D630-N657 WeakPolarHBondContact O-CB 3.43Å; K631-N657 WeakPolarHBondContact CA-OD1 3.44Å; W632-N657 PolarHBondContact N-OD1 3.27Å; W632-N657 VanDerWaalsContact N-OD1 3.17Å; T633-N657 WeakPolarHBondContact CG2-OD1 3.19Å; T633-N657 PolarHBondContact N-OD1 3.42Å; T633-N657 PolarHBondContact OG1-ND2 3.36Å; T633-N657 PolarHBondContact OG1-OD1 3.27Å
658	T	92.5	Very high	91.1	Very high	48 Å²	48	51 Å²	51	29%	0.294	26%	0.256	S	S	.	.	S	Bend	trans	-125	153.3	170.9	68.8	0	0	0	0	109.5	W632 Q656 G660 D661 L662	W632-T658 PolarHBondContact NE1-O 3.09Å; Q656-T658 HydrophobicContact CB-CG2 4.39Å; Q656-T658 PolarHBondContact O-N 2.95Å; T658-G660 VanDerWaalsContact C-N 3.31Å; T658-G660 PolarHBondContact O-N 3.5Å; T658-D661 PolarHBondContact O-N 2.93Å; T658-D661 WeakPolarHBondContact OG1-CB 3.15Å; T658-D661 PolarHBondContact OG1-N 3.48Å; T658-L662 PolarHBondContact O-N 3.42Å; T658-L662 VanDerWaalsContact O-N 3.09Å
659	V	93.9	Very high	91.3	Very high	13 Å²	13	48.8 Å²	48.8	8%	0.079	25%	0.247	C	C	.	.	H	α-helix	trans	-59.6	-43.3	176.7	-175.8	0	0	0	0	110.9	L618 F629 D661 L662 L663 Y702	L618-V659 HydrophobicContact CB-CB 4.42Å; L618-V659 HydrophobicContact CB-CG1 4.29Å; L618-V659 HydrophobicContact CD2-CG1 4.36Å; L618-V659 WeakPolarHBondContact O-CG2 3.42Å; F629-V659 HydrophobicContact CD2-CG2 4.03Å; F629-V659 HydrophobicContact CE2-CG2 3.73Å; V659-D661 VanDerWaalsContact C-N 3.35Å; V659-D661 PolarHBondContact O-N 3.17Å; V659-L662 WeakPolarHBondContact O-CB 3.43Å; V659-L662 PolarHBondContact O-N 2.97Å; V659-L662 VanDerWaalsContact O-N 3.17Å; V659-L663 HydrophobicContact CG1-CD1 4.23Å; V659-L663 HydrophobicContact CG1-CG 4.5Å; V659-L663 WeakPolarHBondContact O-CG 3.25Å; V659-L663 PolarHBondContact O-N 2.79Å; V659-Y702 HydrophobicContact CG1-CD1 4.42Å; V659-Y702 HydrophobicContact CG1-CE1 4.08Å; V659-Y702 HydrophobicContact CG2-CE1 4.13Å
660	G	94.4	Very high	91.5	Very high	5 Å²	5	41.6 Å²	41.6	5%	0.052	22%	0.217	C	C	.	.	H	α-helix	trans	-58.1	-43.7	177.2	0	0	0	0	0	112.9	I605 T658 L663 K664	I605-G660 WeakPolarHBondContact CG2-O 3.36Å; T658-G660 VanDerWaalsContact C-N 3.31Å; T658-G660 PolarHBondContact O-N 3.5Å; G660-L663 PolarHBondContact O-N 3.36Å; G660-K664 WeakPolarHBondContact O-CB 3.28Å; G660-K664 PolarHBondContact O-N 3.33Å
661	D	94.8	Very high	91.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-71.1	-29.4	177.8	-90.5	-2	0	0	0	113.1	R608 W632 Y655 Q656 T658 V659 F665	R608-D661 IonicContact CZ-OD1 3.54Å; R608-D661 IonicContact CZ-OD2 3.08Å; R608-D661 IonicContact NE-OD1 2.85Å; R608-D661 PolarHBondContact NE-OD1 3.22Å; R608-D661 IonicContact NE-OD2 3.09Å; R608-D661 PolarHBondContact NE-OD2 2.59Å; R608-D661 VanDerWaalsContact NE-OD2 3.09Å; R608-D661 IonicContact NH2-OD1 3.56Å; R608-D661 PolarHBondContact NH2-OD1 3.32Å; R608-D661 IonicContact NH2-OD2 3.16Å; R608-D661 PolarHBondContact NH2-OD2 3.45Å; W632-D661 HydrophobicContact CZ2-CB 4.08Å; Y655-D661 HydrophobicContact CD1-CB 4.22Å; Q656-D661 PolarHBondContact N-OD2 3.4Å; Q656-D661 VanDerWaalsContact O-CB 3.32Å; Q656-D661 WeakPolarHBondContact O-CB 3.38Å; T658-D661 PolarHBondContact O-N 2.93Å; T658-D661 WeakPolarHBondContact OG1-CB 3.15Å; T658-D661 PolarHBondContact OG1-N 3.48Å; V659-D661 VanDerWaalsContact C-N 3.35Å; V659-D661 PolarHBondContact O-N 3.17Å; D661-F665 VanDerWaalsContact O-CB 3.26Å; D661-F665 WeakPolarHBondContact O-CB 3.48Å; D661-F665 PolarHBondContact O-N 2.89Å
662	L	96.7	Very high	92	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.3	-46.7	171	176.7	55.6	0	0	0	111.1	F629 W632 T658 V659 K664 F665 I666 F696 L699	F629-L662 HydrophobicContact CB-CD2 3.43Å; F629-L662 VanDerWaalsContact CB-CD2 3.43Å; F629-L662 HydrophobicContact CG-CD2 4.02Å; W632-L662 HydrophobicContact CB-CD1 4.29Å; W632-L662 HydrophobicContact CB-CD2 4.08Å; W632-L662 HydrophobicContact CD2-CB 3.95Å; W632-L662 HydrophobicContact CD2-CD1 3.72Å; W632-L662 HydrophobicContact CD2-CG 4.29Å; W632-L662 HydrophobicContact CE3-CD1 3.65Å; W632-L662 HydrophobicContact CG-CB 4.02Å; W632-L662 HydrophobicContact CG-CD1 4.02Å; W632-L662 HydrophobicContact CG-CD2 4.12Å; W632-L662 HydrophobicContact CG-CG 4.28Å; W632-L662 HydrophobicContact CZ2-CB 4.32Å; W632-L662 HydrophobicContact CZ3-CD1 4.2Å; T658-L662 PolarHBondContact O-N 3.42Å; T658-L662 VanDerWaalsContact O-N 3.09Å; V659-L662 WeakPolarHBondContact O-CB 3.43Å; V659-L662 PolarHBondContact O-N 2.97Å; V659-L662 VanDerWaalsContact O-N 3.17Å; L662-K664 VanDerWaalsContact C-N 3.34Å; L662-K664 PolarHBondContact O-N 3.32Å; L662-F665 WeakPolarHBondContact O-CA 3.23Å; L662-F665 WeakPolarHBondContact O-CB 3.24Å; L662-F665 PolarHBondContact O-N 2.95Å; L662-F665 VanDerWaalsContact O-N 3.11Å; L662-I666 HydrophobicContact CD1-CD1 4.08Å; L662-I666 HydrophobicContact CD1-CG1 4.23Å; L662-I666 HydrophobicContact CG-CD1 4.04Å; L662-I666 VanDerWaalsContact O-CG1 3.31Å; L662-I666 WeakPolarHBondContact O-CG1 3.38Å; L662-I666 PolarHBondContact O-N 2.95Å; L662-F696 HydrophobicContact CD1-CD2 4.41Å; L662-F696 HydrophobicContact CD1-CE2 3.93Å; L662-F696 HydrophobicContact CD1-CZ 4.3Å; L662-F696 HydrophobicContact CD2-CD2 4.4Å; L662-F696 HydrophobicContact CD2-CG 4.46Å; L662-L699 HydrophobicContact CD2-CD1 4.08Å; L662-L699 HydrophobicContact CD2-CD2 3.85Å; L662-L699 HydrophobicContact CG-CD2 4.24Å
663	L	97.1	Very high	92.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.6	-41.3	177	-64.1	173.8	0	0	0	111.5	L596 V599 I605 L618 V659 G660 F665 I666 R667 V703	L596-L663 HydrophobicContact CB-CD2 4.17Å; L596-L663 HydrophobicContact CD2-CD2 3.74Å; V599-L663 HydrophobicContact CB-CD1 4.5Å; V599-L663 HydrophobicContact CG1-CD1 3.74Å; I605-L663 HydrophobicContact CD1-CD1 4.34Å; L618-L663 HydrophobicContact CD1-CD1 3.73Å; L618-L663 HydrophobicContact CD2-CD1 4.5Å; V659-L663 HydrophobicContact CG1-CD1 4.23Å; V659-L663 HydrophobicContact CG1-CG 4.5Å; V659-L663 WeakPolarHBondContact O-CG 3.25Å; V659-L663 PolarHBondContact O-N 2.79Å; G660-L663 PolarHBondContact O-N 3.36Å; L663-F665 VanDerWaalsContact C-N 3.3Å; L663-F665 PolarHBondContact O-N 3.34Å; L663-I666 PolarHBondContact O-N 3.36Å; L663-R667 WeakPolarHBondContact O-CB 3.42Å; L663-R667 PolarHBondContact O-N 3.25Å; L663-V703 HydrophobicContact CD1-CG2 4.26Å; L663-V703 HydrophobicContact CD2-CG2 4.07Å
664	K	95.8	Very high	91.8	Very high	7 Å²	7	31.1 Å²	31.1	3%	0.03	16%	0.155	C	C	.	.	H	α-helix	trans	-58.8	-41.9	171.3	-176.7	179.9	172.4	175.7	0	111.6	I605 K606 Y648 Y655 G660 L662 N668	I605-K664 HydrophobicContact CG2-CB 3.99Å; K606-K664 PolarHBondContact O-NZ 3.24Å; Y648-K664 WeakPolarHBondContact OH-CE 3.42Å; Y655-K664 HydrophobicContact CE1-CB 4.45Å; Y655-K664 HydrophobicContact CE1-CD 4.3Å; Y655-K664 HydrophobicContact CE1-CG 4.14Å; G660-K664 WeakPolarHBondContact O-CB 3.28Å; G660-K664 PolarHBondContact O-N 3.33Å; L662-K664 VanDerWaalsContact C-N 3.34Å; L662-K664 PolarHBondContact O-N 3.32Å; K664-N668 WeakPolarHBondContact O-CB 2.96Å; K664-N668 PolarHBondContact O-N 2.99Å; K664-N668 PolarHBondContact O-ND2 3.02Å
665	F	95.6	Very high	91.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.8	-47.7	176.7	176.5	-87.1	0	0	0	111.5	W632 I636 V640 M641 M644 Y655 D661 L662 L663 R667 N668 L669 F692	W632-F665 HydrophobicContact CH2-CB 3.59Å; W632-F665 HydrophobicContact CH2-CD1 4.5Å; W632-F665 AromaticContact CH2-CD2 3.85Å; W632-F665 HydrophobicContact CH2-CD2 3.85Å; W632-F665 AromaticContact CH2-CG 3.74Å; W632-F665 HydrophobicContact CH2-CG 3.74Å; W632-F665 HydrophobicContact CZ2-CB 4.4Å; W632-F665 HydrophobicContact CZ3-CB 3.96Å; W632-F665 HydrophobicContact CZ3-CD1 4.02Å; W632-F665 AromaticContact CZ3-CD2 3.85Å; W632-F665 HydrophobicContact CZ3-CD2 3.85Å; W632-F665 HydrophobicContact CZ3-CE2 4.34Å; W632-F665 AromaticContact CZ3-CG 3.68Å; W632-F665 HydrophobicContact CZ3-CG 3.68Å; I636-F665 HydrophobicContact CD1-CE1 4.11Å; I636-F665 HydrophobicContact CG1-CE1 4.3Å; I636-F665 HydrophobicContact CG1-CZ 4.41Å; I636-F665 HydrophobicContact CG2-CE1 4.35Å; I636-F665 HydrophobicContact CG2-CZ 3.8Å; V640-F665 HydrophobicContact CG1-CZ 4.11Å; M641-F665 HydrophobicContact SD-CD2 4.26Å; M641-F665 HydrophobicContact SD-CE2 3.78Å; M641-F665 HydrophobicContact SD-CZ 4.5Å; M644-F665 HydrophobicContact CB-CD2 4.11Å; M644-F665 HydrophobicContact CB-CE2 3.56Å; M644-F665 HydrophobicContact CB-CZ 4.49Å; M644-F665 HydrophobicContact CG-CD2 4.3Å; M644-F665 HydrophobicContact CG-CE2 3.54Å; M644-F665 HydrophobicContact CG-CZ 4.02Å; Y655-F665 HydrophobicContact CD1-CB 4.11Å; Y655-F665 HydrophobicContact CD2-CD2 4.11Å; Y655-F665 HydrophobicContact CE1-CB 3.77Å; Y655-F665 HydrophobicContact CE1-CD2 4.29Å; Y655-F665 AromaticContact CE2-CD2 3.83Å; Y655-F665 HydrophobicContact CE2-CD2 3.83Å; Y655-F665 HydrophobicContact CG-CD2 4.48Å; Y655-F665 AromaticContact CZ-CD2 3.92Å; D661-F665 VanDerWaalsContact O-CB 3.26Å; D661-F665 WeakPolarHBondContact O-CB 3.48Å; D661-F665 PolarHBondContact O-N 2.89Å; L662-F665 WeakPolarHBondContact O-CA 3.23Å; L662-F665 WeakPolarHBondContact O-CB 3.24Å; L662-F665 PolarHBondContact O-N 2.95Å; L662-F665 VanDerWaalsContact O-N 3.11Å; L663-F665 VanDerWaalsContact C-N 3.3Å; L663-F665 PolarHBondContact O-N 3.34Å; F665-R667 VanDerWaalsContact C-N 3.34Å; F665-R667 PolarHBondContact O-N 3.12Å; F665-N668 PolarHBondContact O-N 3.25Å; F665-L669 HydrophobicContact CE1-CD2 4.1Å; F665-L669 HydrophobicContact CZ-CD2 4.48Å; F665-L669 WeakPolarHBondContact O-CB 3.32Å; F665-L669 PolarHBondContact O-N 3.49Å; F665-F692 HydrophobicContact CD1-CE1 4.03Å; F665-F692 HydrophobicContact CD1-CZ 4.02Å; F665-F692 AromaticContact CE1-CE1 3.88Å; F665-F692 HydrophobicContact CE1-CE1 3.88Å; F665-F692 AromaticContact CE1-CZ 3.81Å; F665-F692 HydrophobicContact CE1-CZ 3.81Å
666	I	95.6	Very high	90.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-57.3	-47.6	177	-69.6	168.1	0	0	0	110.6	Y593 L596 R597 L662 L663 G670 F692 L699	Y593-I666 HydrophobicContact CD2-CG2 4.1Å; Y593-I666 HydrophobicContact CE2-CG2 3.72Å; L596-I666 HydrophobicContact CB-CG2 4.1Å; L596-I666 HydrophobicContact CD1-CD1 4.25Å; R597-I666 HydrophobicContact CG-CG2 4.04Å; L662-I666 HydrophobicContact CD1-CD1 4.08Å; L662-I666 HydrophobicContact CD1-CG1 4.23Å; L662-I666 HydrophobicContact CG-CD1 4.04Å; L662-I666 VanDerWaalsContact O-CG1 3.31Å; L662-I666 WeakPolarHBondContact O-CG1 3.38Å; L662-I666 PolarHBondContact O-N 2.95Å; L663-I666 PolarHBondContact O-N 3.36Å; I666-G670 PolarHBondContact O-N 3.14Å; I666-F692 HydrophobicContact CB-CE2 4.34Å; I666-F692 HydrophobicContact CB-CZ 4.31Å; I666-F692 HydrophobicContact CD1-CD1 4.12Å; I666-F692 HydrophobicContact CD1-CE1 4.41Å; I666-F692 HydrophobicContact CD1-CG 4.29Å; I666-F692 HydrophobicContact CG1-CD1 3.76Å; I666-F692 HydrophobicContact CG1-CD2 4.13Å; I666-F692 HydrophobicContact CG1-CE1 3.59Å; I666-F692 HydrophobicContact CG1-CE2 3.97Å; I666-F692 HydrophobicContact CG1-CG 4.02Å; I666-F692 HydrophobicContact CG1-CZ 3.68Å; I666-F692 HydrophobicContact CG2-CD2 4.22Å; I666-F692 HydrophobicContact CG2-CE2 4.14Å; I666-L699 HydrophobicContact CD1-CD2 3.54Å
667	R	95.4	Very high	89.4	Confident	42 Å²	42	40 Å²	40	16%	0.158	20%	0.196	C	C	.	.	H	α-helix	trans	-57.4	-53.3	174.9	179.5	-88.7	-170.9	-166.5	-9.8	111.9	R597 N601 L663 F665 L669 G670 E671	R597-R667 WeakPolarHBondContact O-CG 3.37Å; N601-R667 HydrophobicContact CB-CG 4.04Å; N601-R667 PolarHBondContact OD1-NE 2.78Å; N601-R667 VanDerWaalsContact OD1-NE 3.16Å; N601-R667 PolarHBondContact OD1-NH2 2.91Å; L663-R667 WeakPolarHBondContact O-CB 3.42Å; L663-R667 PolarHBondContact O-N 3.25Å; F665-R667 VanDerWaalsContact C-N 3.34Å; F665-R667 PolarHBondContact O-N 3.12Å; R667-L669 PolarHBondContact O-N 2.87Å; R667-G670 PolarHBondContact O-N 3.19Å; R667-E671 IonicContact CZ-OE1 2.81Å; R667-E671 IonicContact CZ-OE2 3.04Å; R667-E671 IonicContact NE-OE1 3.07Å; R667-E671 PolarHBondContact NE-OE1 3.29Å; R667-E671 IonicContact NE-OE2 2.73Å; R667-E671 PolarHBondContact NE-OE2 3.39Å; R667-E671 IonicContact NH1-OE1 2.7Å; R667-E671 IonicContact NH1-OE2 3.65Å; R667-E671 PolarHBondContact NH1-OE2 3.17Å; R667-E671 IonicContact NH2-OE1 2.91Å; R667-E671 PolarHBondContact NH2-OE1 3.12Å; R667-E671 IonicContact NH2-OE2 2.78Å; R667-E671 PolarHBondContact NH2-OE2 3.32Å; R667-E671 PolarHBondContact O-N 2.97Å; R667-E671 VanDerWaalsContact O-N 3.07Å
668	N	92.8	Very high	88.4	Confident	8 Å²	8	37 Å²	37	4%	0.043	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-39.8	-176.6	-68.9	-18.7	0	0	0	111.7	M644 Y648 Y655 K664 F665 G670 E671 H672	M644-N668 HydrophobicContact CE-CB 3.57Å; Y648-N668 PolarHBondContact OH-ND2 2.84Å; Y655-N668 PolarHBondContact OH-ND2 3.24Å; K664-N668 WeakPolarHBondContact O-CB 2.96Å; K664-N668 PolarHBondContact O-N 2.99Å; K664-N668 PolarHBondContact O-ND2 3.02Å; F665-N668 PolarHBondContact O-N 3.25Å; N668-G670 VanDerWaalsContact C-N 3.32Å; N668-G670 PolarHBondContact O-N 3.04Å; N668-E671 PolarHBondContact O-N 2.65Å; N668-H672 PolarHBondContact O-CD2 3.29Å; N668-H672 PolarHBondContact O-N 3.2Å
669	L	90.8	Very high	87.6	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-46.5	176.3	-175	64.5	0	0	0	109.7	V640 M644 F665 R667 E671 H672 I673 I681 I685 F692	V640-L669 HydrophobicContact CG1-CD1 4.3Å; M644-L669 HydrophobicContact CE-CB 4.08Å; M644-L669 HydrophobicContact CG-CD1 4.34Å; M644-L669 HydrophobicContact SD-CD1 3.88Å; F665-L669 HydrophobicContact CE1-CD2 4.1Å; F665-L669 HydrophobicContact CZ-CD2 4.48Å; F665-L669 WeakPolarHBondContact O-CB 3.32Å; F665-L669 PolarHBondContact O-N 3.49Å; R667-L669 PolarHBondContact O-N 2.87Å; L669-E671 VanDerWaalsContact C-N 3.28Å; L669-E671 PolarHBondContact O-N 3.31Å; L669-H672 PolarHBondContact O-N 3.18Å; L669-I673 VanDerWaalsContact O-CB 3.23Å; L669-I673 WeakPolarHBondContact O-CB 3.44Å; L669-I673 PolarHBondContact O-N 3.05Å; L669-I681 HydrophobicContact CD1-CG2 4.11Å; L669-I685 HydrophobicContact CD1-CD1 4.34Å; L669-I685 HydrophobicContact CD2-CD1 3.81Å; L669-I685 HydrophobicContact CG-CD1 4.26Å; L669-F692 HydrophobicContact CD2-CE2 3.87Å; L669-F692 HydrophobicContact CD2-CZ 3.53Å
670	G	88.6	Confident	86.8	Confident	6 Å²	6	47.2 Å²	47.2	6%	0.062	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-25	178.8	0	0	0	0	0	115.4	Y593 R597 I666 R667 N668	Y593-G670 WeakPolarHBondContact OH-CA 3.38Å; R597-G670 PolarHBondContact NH2-O 2.71Å; I666-G670 PolarHBondContact O-N 3.14Å; R667-G670 PolarHBondContact O-N 3.19Å; N668-G670 VanDerWaalsContact C-N 3.32Å; N668-G670 PolarHBondContact O-N 3.04Å
671	E	87.5	Confident	86	Confident	77 Å²	77	47.1 Å²	47.1	36%	0.36	22%	0.217	S	C	.	.	H	α-helix	trans	-77.8	-32.5	174.7	-75.9	-175.9	173.2	0	0	113.3	R667 N668 L669	R667-E671 IonicContact CZ-OE1 2.81Å; R667-E671 IonicContact CZ-OE2 3.04Å; R667-E671 IonicContact NE-OE1 3.07Å; R667-E671 PolarHBondContact NE-OE1 3.29Å; R667-E671 IonicContact NE-OE2 2.73Å; R667-E671 PolarHBondContact NE-OE2 3.39Å; R667-E671 IonicContact NH1-OE1 2.7Å; R667-E671 IonicContact NH1-OE2 3.65Å; R667-E671 PolarHBondContact NH1-OE2 3.17Å; R667-E671 IonicContact NH2-OE1 2.91Å; R667-E671 PolarHBondContact NH2-OE1 3.12Å; R667-E671 IonicContact NH2-OE2 2.78Å; R667-E671 PolarHBondContact NH2-OE2 3.32Å; R667-E671 PolarHBondContact O-N 2.97Å; R667-E671 VanDerWaalsContact O-N 3.07Å; N668-E671 PolarHBondContact O-N 2.65Å; L669-E671 VanDerWaalsContact C-N 3.28Å; L669-E671 PolarHBondContact O-N 3.31Å
672	H	83.9	Confident	85.4	Confident	42 Å²	42	51.4 Å²	51.4	19%	0.194	24%	0.236	C	C	.	.	H	α-helix	trans	-104.5	-9.4	-173.6	-61.3	-61	0	0	0	113.5	N668 L669 D674 E675 L678	N668-H672 PolarHBondContact O-CD2 3.29Å; N668-H672 PolarHBondContact O-N 3.2Å; L669-H672 PolarHBondContact O-N 3.18Å; H672-D674 PolarHBondContact O-N 2.9Å; H672-D674 VanDerWaalsContact O-N 3.17Å; H672-E675 IonicContact CE1-OE1 3.48Å; H672-E675 IonicContact CG-OE1 3.63Å; H672-E675 IonicContact ND1-OE1 2.63Å; H672-E675 PolarHBondContact ND1-OE1 3.26Å; H672-E675 IonicContact ND1-OE2 2.85Å; H672-E675 VanDerWaalsContact O-CB 3.3Å; H672-E675 WeakPolarHBondContact O-CB 3.23Å; H672-E675 PolarHBondContact O-N 2.76Å; H672-L678 HydrophobicContact CB-CD1 3.43Å; H672-L678 VanDerWaalsContact CB-CD1 3.43Å; H672-L678 HydrophobicContact CB-CG 4.44Å; H672-L678 WeakPolarHBondContact O-CD1 3.35Å
673	I	81.9	Confident	84.7	Confident	7 Å²	7	58.8 Å²	58.8	4%	0.036	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-30.7	-171.6	-167.3	176.2	0	0	0	113.6	L669 K682 I685 P688	L669-I673 VanDerWaalsContact O-CB 3.23Å; L669-I673 WeakPolarHBondContact O-CB 3.44Å; L669-I673 PolarHBondContact O-N 3.05Å; I673-K682 HydrophobicContact CD1-CB 4.42Å; I673-K682 HydrophobicContact CD1-CG 4.09Å; I673-K682 HydrophobicContact CG1-CB 3.99Å; I673-K682 HydrophobicContact CG1-CD 4.23Å; I673-K682 HydrophobicContact CG1-CG 4.02Å; I673-I685 HydrophobicContact CD1-CD1 3.39Å; I673-I685 HydrophobicContact CD1-CG1 4.18Å; I673-I685 HydrophobicContact CG1-CD1 4.1Å; I673-P688 HydrophobicContact CD1-CB 4.32Å; I673-P688 HydrophobicContact CD1-CG 3.13Å
674	D	77.9	Confident	84.1	Confident	111 Å²	111	64.2 Å²	64.2	59%	0.594	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-4.9	179.5	-63.7	-46.1	0	0	0	113.4	H672 K682	H672-D674 PolarHBondContact O-N 2.9Å; H672-D674 VanDerWaalsContact O-N 3.17Å; D674-K682 IonicContact OD1-NZ 3.87Å; D674-K682 PolarHBondContact OD1-NZ 3.45Å
675	E	82.4	Confident	83.5	Confident	77 Å²	77	64.5 Å²	64.5	36%	0.36	30%	0.3	S	S	.	.	S	Bend	trans	-68.1	141.3	173.2	-65	-176.6	-171	0	0	111.1	H672 K677 L678 K679	H672-E675 IonicContact CE1-OE1 3.48Å; H672-E675 IonicContact CG-OE1 3.63Å; H672-E675 IonicContact ND1-OE1 2.63Å; H672-E675 PolarHBondContact ND1-OE1 3.26Å; H672-E675 IonicContact ND1-OE2 2.85Å; H672-E675 VanDerWaalsContact O-CB 3.3Å; H672-E675 WeakPolarHBondContact O-CB 3.23Å; H672-E675 PolarHBondContact O-N 2.76Å; E675-K677 PolarHBondContact O-N 2.96Å; E675-L678 PolarHBondContact O-N 3.45Å; E675-K679 PolarHBondContact O-N 3.47Å
676	E	74	Confident	83.2	Confident	149 Å²	149	66.3 Å²	66.3	70%	0.696	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-48.4	-37.3	178.3	-81.4	-117	126.3	0	0	113.4	L678 K679	E676-L678 PolarHBondContact O-N 3.37Å; E676-K679 PolarHBondContact O-N 3.2Å; E676-K679 IonicContact OE1-NZ 2.75Å; E676-K679 PolarHBondContact OE1-NZ 3.25Å
677	K	72.1	Confident	82.8	Confident	174 Å²	174	70 Å²	70	76%	0.757	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-66.7	-23.3	-178.8	-64.2	177.3	-176.9	172	0	113.1	E675	E675-K677 PolarHBondContact O-N 2.96Å
678	L	71.7	Confident	82.6	Confident	9 Å²	9	68.7 Å²	68.7	5%	0.047	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-108.3	5.2	-178	-56.8	-163.4	0	0	0	113.9	H672 E675 E676 K680 I681 K682	H672-L678 HydrophobicContact CB-CD1 3.43Å; H672-L678 VanDerWaalsContact CB-CD1 3.43Å; H672-L678 HydrophobicContact CB-CG 4.44Å; H672-L678 WeakPolarHBondContact O-CD1 3.35Å; E675-L678 PolarHBondContact O-N 3.45Å; E676-L678 PolarHBondContact O-N 3.37Å; L678-K680 PolarHBondContact O-N 2.94Å; L678-K680 VanDerWaalsContact O-N 3.13Å; L678-I681 HydrophobicContact CB-CB 4.4Å; L678-I681 HydrophobicContact CB-CD1 4.47Å; L678-I681 HydrophobicContact CD1-CD1 4.39Å; L678-I681 HydrophobicContact CD2-CD1 3.7Å; L678-I681 HydrophobicContact CD2-CG1 4.39Å; L678-I681 HydrophobicContact CG-CD1 4.41Å; L678-I681 WeakPolarHBondContact O-CA 3.4Å; L678-I681 VanDerWaalsContact O-CB 3.28Å; L678-I681 WeakPolarHBondContact O-CB 3.31Å; L678-I681 PolarHBondContact O-N 3.36Å; L678-K682 PolarHBondContact O-N 3.47Å
679	K	76.4	Confident	82.5	Confident	114 Å²	114	68.7 Å²	68.7	50%	0.496	34%	0.336	S	S	.	.	H	α-helix	trans	-49.5	-40.7	173.6	-79.3	179	173.3	175.9	0	113.9	E675 E676 I681 K682 L683	E675-K679 PolarHBondContact O-N 3.47Å; E676-K679 PolarHBondContact O-N 3.2Å; E676-K679 IonicContact OE1-NZ 2.75Å; E676-K679 PolarHBondContact OE1-NZ 3.25Å; K679-I681 VanDerWaalsContact C-N 3.3Å; K679-I681 PolarHBondContact O-N 2.84Å; K679-K682 PolarHBondContact O-N 2.94Å; K679-L683 PolarHBondContact O-N 3.04Å
680	K	77.4	Confident	82.4	Confident	163 Å²	163	71.3 Å²	71.3	71%	0.709	35%	0.346	S	S	*	.	H	α-helix	trans	-67.5	-25.5	175.2	-69.5	-177	179.2	179.5	0	113.7	L678	L678-K680 PolarHBondContact O-N 2.94Å; L678-K680 VanDerWaalsContact O-N 3.13Å
681	I	77.6	Confident	82.6	Confident	3 Å²	3	72.9 Å²	72.9	2%	0.015	35%	0.35	C	S	.	.	H	α-helix	trans	-75.7	-45.3	172.2	-65.5	-171.6	0	0	0	109.7	V640 K643 L669 L678 K679 L683 K684 I685	V640-I681 HydrophobicContact CB-CG2 4.45Å; V640-I681 HydrophobicContact CG1-CD1 4.38Å; V640-I681 HydrophobicContact CG1-CG2 3.92Å; V640-I681 HydrophobicContact CG2-CG1 4.5Å; V640-I681 HydrophobicContact CG2-CG2 3.85Å; K643-I681 HydrophobicContact CB-CD1 3.85Å; K643-I681 HydrophobicContact CD-CD1 3.5Å; K643-I681 VanDerWaalsContact CD-CD1 3.5Å; K643-I681 HydrophobicContact CD-CG1 3.73Å; K643-I681 HydrophobicContact CG-CD1 4.33Å; L669-I681 HydrophobicContact CD1-CG2 4.11Å; L678-I681 HydrophobicContact CB-CB 4.4Å; L678-I681 HydrophobicContact CB-CD1 4.47Å; L678-I681 HydrophobicContact CD1-CD1 4.39Å; L678-I681 HydrophobicContact CD2-CD1 3.7Å; L678-I681 HydrophobicContact CD2-CG1 4.39Å; L678-I681 HydrophobicContact CG-CD1 4.41Å; L678-I681 WeakPolarHBondContact O-CA 3.4Å; L678-I681 VanDerWaalsContact O-CB 3.28Å; L678-I681 WeakPolarHBondContact O-CB 3.31Å; L678-I681 PolarHBondContact O-N 3.36Å; K679-I681 VanDerWaalsContact C-N 3.3Å; K679-I681 PolarHBondContact O-N 2.84Å; I681-L683 PolarHBondContact O-N 3.06Å; I681-K684 WeakPolarHBondContact O-CA 3.45Å; I681-K684 WeakPolarHBondContact O-CB 3.38Å; I681-K684 PolarHBondContact O-N 2.85Å; I681-I685 HydrophobicContact CG2-CD1 3.84Å; I681-I685 HydrophobicContact CG2-CG1 4.42Å; I681-I685 HydrophobicContact CG2-CG2 4.31Å; I681-I685 WeakPolarHBondContact O-CG1 3.38Å; I681-I685 PolarHBondContact O-N 2.87Å
682	K	81.3	Confident	82.9	Confident	91 Å²	91	69.4 Å²	69.4	40%	0.396	33%	0.334	S	S	.	.	H	α-helix	trans	-54.2	-41.8	178.6	-168.5	170.7	-175.2	170.6	0	111.9	I673 D674 L678 K679 K684 I685 G686	I673-K682 HydrophobicContact CD1-CB 4.42Å; I673-K682 HydrophobicContact CD1-CG 4.09Å; I673-K682 HydrophobicContact CG1-CB 3.99Å; I673-K682 HydrophobicContact CG1-CD 4.23Å; I673-K682 HydrophobicContact CG1-CG 4.02Å; D674-K682 IonicContact OD1-NZ 3.87Å; D674-K682 PolarHBondContact OD1-NZ 3.45Å; L678-K682 PolarHBondContact O-N 3.47Å; K679-K682 PolarHBondContact O-N 2.94Å; K682-K684 VanDerWaalsContact C-N 3.27Å; K682-K684 PolarHBondContact O-N 3.36Å; K682-I685 PolarHBondContact O-N 2.91Å; K682-G686 WeakPolarHBondContact O-CA 3.45Å; K682-G686 PolarHBondContact O-N 3.43Å
683	L	83.5	Confident	83.3	Confident	155 Å²	155	68.6 Å²	68.6	81%	0.812	33%	0.33	S	S	*	.	H	α-helix	trans	-63	-27.6	173.3	-71.5	170.6	0	0	0	114.5	K679 I681	K679-L683 PolarHBondContact O-N 3.04Å; I681-L683 PolarHBondContact O-N 3.06Å
684	K	83.1	Confident	83.7	Confident	113 Å²	113	74.7 Å²	74.7	49%	0.491	36%	0.356	S	S	.	.	H	α-helix	trans	-84.8	-33.7	-179.9	-74.8	-177.6	173.6	-177.9	0	113.3	D639 I681 K682	D639-K684 IonicContact OD2-NZ 3.67Å; D639-K684 PolarHBondContact OD2-NZ 3.11Å; I681-K684 WeakPolarHBondContact O-CA 3.45Å; I681-K684 WeakPolarHBondContact O-CB 3.38Å; I681-K684 PolarHBondContact O-N 2.85Å; K682-K684 VanDerWaalsContact C-N 3.27Å; K682-K684 PolarHBondContact O-N 3.36Å
685	I	84.3	Confident	84.5	Confident	13 Å²	13	71 Å²	71	7%	0.067	34%	0.338	C	S	.	.	H	α-helix	trans	-93.6	-20.9	-179.2	63.3	-172.8	0	0	0	112.4	V640 L669 I673 I681 K682 P688 Y691	V640-I685 HydrophobicContact CG2-CG2 4.06Å; L669-I685 HydrophobicContact CD1-CD1 4.34Å; L669-I685 HydrophobicContact CD2-CD1 3.81Å; L669-I685 HydrophobicContact CG-CD1 4.26Å; I673-I685 HydrophobicContact CD1-CD1 3.39Å; I673-I685 HydrophobicContact CD1-CG1 4.18Å; I673-I685 HydrophobicContact CG1-CD1 4.1Å; I681-I685 HydrophobicContact CG2-CD1 3.84Å; I681-I685 HydrophobicContact CG2-CG1 4.42Å; I681-I685 HydrophobicContact CG2-CG2 4.31Å; I681-I685 WeakPolarHBondContact O-CG1 3.38Å; I681-I685 PolarHBondContact O-N 2.87Å; K682-I685 PolarHBondContact O-N 2.91Å; I685-P688 HydrophobicContact CD1-CG 4.49Å; I685-Y691 HydrophobicContact CB-CD1 4.37Å; I685-Y691 HydrophobicContact CB-CD2 4.27Å; I685-Y691 HydrophobicContact CB-CG 4.13Å; I685-Y691 HydrophobicContact CG2-CD1 4.44Å; I685-Y691 HydrophobicContact CG2-CE1 4.32Å; I685-Y691 HydrophobicContact CG2-CE2 4.42Å
686	G	88.2	Confident	85.1	Confident	39 Å²	39	67.3 Å²	67.3	40%	0.402	32%	0.321	S	S	.	.			trans	68.7	-137.8	-174.6	0	0	0	0	0	111	K682 P688	K682-G686 WeakPolarHBondContact O-CA 3.45Å; K682-G686 PolarHBondContact O-N 3.43Å; G686-P688 WeakPolarHBondContact O-CD 3.21Å
687	D	88.3	Confident	86	Confident	77 Å²	77	63.3 Å²	63.3	41%	0.412	31%	0.307	S	S	.	.	S	Bend	trans	-70.9	118.2	170.9	172.4	38.1	0	0	0	110.7	S689 R690 Y691	D687-S689 VanDerWaalsContact C-N 3.28Å; D687-S689 PolarHBondContact O-N 3.4Å; D687-S689 PolarHBondContact OD1-N 3.33Å; D687-S689 PolarHBondContact OD2-OG 3.32Å; D687-R690 HydrophobicContact CB-CB 4.21Å; D687-R690 PolarHBondContact O-N 3.45Å; D687-R690 WeakPolarHBondContact OD2-CB 3.39Å; D687-R690 PolarHBondContact OD2-N 2.92Å; D687-Y691 WeakPolarHBondContact O-CB 3.45Å; D687-Y691 PolarHBondContact O-N 3.36Å
688	P	90.2	Very high	87.1	Confident	14 Å²	14	56.4 Å²	56.4	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-61.4	-35.9	-178.7	-24.8	36.9	0	0	0	113.4	Y593 I673 I685 G686 R690 Y691 F692	Y593-P688 HydrophobicContact CE1-CB 4.11Å; Y593-P688 HydrophobicContact CE2-CB 3.93Å; I673-P688 HydrophobicContact CD1-CB 4.32Å; I673-P688 HydrophobicContact CD1-CG 3.13Å; I685-P688 HydrophobicContact CD1-CG 4.49Å; G686-P688 WeakPolarHBondContact O-CD 3.21Å; P688-R690 VanDerWaalsContact C-N 3.28Å; P688-R690 PolarHBondContact O-N 3.17Å; P688-Y691 PolarHBondContact O-N 3.23Å; P688-F692 VanDerWaalsContact O-CD2 3.27Å; P688-F692 WeakPolarHBondContact O-CD2 3.5Å; P688-F692 PolarHBondContact O-N 3.24Å; P688-F692 VanDerWaalsContact O-N 3.16Å
689	S	90.5	Very high	88.2	Confident	8 Å²	8	56 Å²	56	6%	0.056	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-42.6	-177	89.1	0	0	0	0	110	D687 Q693	D687-S689 VanDerWaalsContact C-N 3.28Å; D687-S689 PolarHBondContact O-N 3.4Å; D687-S689 PolarHBondContact OD1-N 3.33Å; D687-S689 PolarHBondContact OD2-OG 3.32Å; S689-Q693 WeakPolarHBondContact O-CG 3.22Å; S689-Q693 PolarHBondContact O-NE2 3.04Å
690	R	90.4	Very high	89.2	Confident	56 Å²	56	50.8 Å²	50.8	21%	0.211	25%	0.254	C	S	.	.	H	α-helix	trans	-72.4	-42.7	173.4	-167.9	176.2	-168.7	-153	-6.9	113.4	N455 W589 D687 P688 F692 Q693 K694	N455-R690 VanDerWaalsContact O-CZ 3.25Å; N455-R690 PolarHBondContact O-NH1 3.5Å; N455-R690 VanDerWaalsContact OD1-CZ 3.28Å; N455-R690 PolarHBondContact OD1-NH1 3.34Å; N455-R690 PolarHBondContact OD1-NH2 3.03Å; W589-R690 HydrophobicContact CE3-CB 4.19Å; W589-R690 HydrophobicContact CE3-CG 4.36Å; W589-R690 HydrophobicContact CH2-CG 4.3Å; W589-R690 HydrophobicContact CZ3-CB 4.14Å; W589-R690 HydrophobicContact CZ3-CG 3.85Å; D687-R690 HydrophobicContact CB-CB 4.21Å; D687-R690 PolarHBondContact O-N 3.45Å; D687-R690 WeakPolarHBondContact OD2-CB 3.39Å; D687-R690 PolarHBondContact OD2-N 2.92Å; P688-R690 VanDerWaalsContact C-N 3.28Å; P688-R690 PolarHBondContact O-N 3.17Å; R690-F692 PolarHBondContact O-N 3.38Å; R690-Q693 PolarHBondContact O-N 3.3Å; R690-K694 HydrophobicContact CG-CD 4.3Å; R690-K694 HydrophobicContact CG-CG 4.42Å; R690-K694 VanDerWaalsContact CZ-NZ 3.31Å; R690-K694 WeakPolarHBondContact O-CG 3.42Å; R690-K694 PolarHBondContact O-N 3.17Å
691	Y	91.9	Very high	90.1	Very high	39 Å²	39	43.8 Å²	43.8	15%	0.153	23%	0.225	C	C	.	.	H	α-helix	trans	-56.7	-49.4	-176.7	173.7	-103.9	0	0	0	112.5	I636 I685 D687 P688 K694 T695	I636-Y691 HydrophobicContact CD1-CE1 3.92Å; I636-Y691 WeakPolarHBondContact CD1-OH 3.43Å; I685-Y691 HydrophobicContact CB-CD1 4.37Å; I685-Y691 HydrophobicContact CB-CD2 4.27Å; I685-Y691 HydrophobicContact CB-CG 4.13Å; I685-Y691 HydrophobicContact CG2-CD1 4.44Å; I685-Y691 HydrophobicContact CG2-CE1 4.32Å; I685-Y691 HydrophobicContact CG2-CE2 4.42Å; D687-Y691 WeakPolarHBondContact O-CB 3.45Å; D687-Y691 PolarHBondContact O-N 3.36Å; P688-Y691 PolarHBondContact O-N 3.23Å; Y691-K694 PolarHBondContact O-N 3.41Å; Y691-T695 WeakPolarHBondContact O-CB 3.25Å; Y691-T695 PolarHBondContact O-N 2.99Å; Y691-T695 PolarHBondContact O-OG1 3.01Å
692	F	93.6	Very high	91	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-70.5	-37.3	-177.2	-74	-63.1	0	0	0	112.6	Y593 I636 F665 I666 L669 P688 R690 T695 F696	Y593-F692 HydrophobicContact CD2-CD2 4.21Å; Y593-F692 AromaticContact CE2-CD2 3.78Å; Y593-F692 HydrophobicContact CE2-CD2 3.78Å; Y593-F692 AromaticContact CE2-CE2 3.96Å; Y593-F692 HydrophobicContact CE2-CE2 3.96Å; I636-F692 HydrophobicContact CD1-CE1 4.21Å; F665-F692 HydrophobicContact CD1-CE1 4.03Å; F665-F692 HydrophobicContact CD1-CZ 4.02Å; F665-F692 AromaticContact CE1-CE1 3.88Å; F665-F692 HydrophobicContact CE1-CE1 3.88Å; F665-F692 AromaticContact CE1-CZ 3.81Å; F665-F692 HydrophobicContact CE1-CZ 3.81Å; I666-F692 HydrophobicContact CB-CE2 4.34Å; I666-F692 HydrophobicContact CB-CZ 4.31Å; I666-F692 HydrophobicContact CD1-CD1 4.12Å; I666-F692 HydrophobicContact CD1-CE1 4.41Å; I666-F692 HydrophobicContact CD1-CG 4.29Å; I666-F692 HydrophobicContact CG1-CD1 3.76Å; I666-F692 HydrophobicContact CG1-CD2 4.13Å; I666-F692 HydrophobicContact CG1-CE1 3.59Å; I666-F692 HydrophobicContact CG1-CE2 3.97Å; I666-F692 HydrophobicContact CG1-CG 4.02Å; I666-F692 HydrophobicContact CG1-CZ 3.68Å; I666-F692 HydrophobicContact CG2-CD2 4.22Å; I666-F692 HydrophobicContact CG2-CE2 4.14Å; L669-F692 HydrophobicContact CD2-CE2 3.87Å; L669-F692 HydrophobicContact CD2-CZ 3.53Å; P688-F692 VanDerWaalsContact O-CD2 3.27Å; P688-F692 WeakPolarHBondContact O-CD2 3.5Å; P688-F692 PolarHBondContact O-N 3.24Å; P688-F692 VanDerWaalsContact O-N 3.16Å; R690-F692 PolarHBondContact O-N 3.38Å; F692-T695 PolarHBondContact O-N 3.2Å; F692-F696 HydrophobicContact CD1-CD2 4.14Å; F692-F696 HydrophobicContact CD1-CE2 4.07Å; F692-F696 WeakPolarHBondContact O-CA 3.4Å; F692-F696 PolarHBondContact O-N 3.3Å
693	Q	91.9	Very high	91.7	Very high	25 Å²	25	40.4 Å²	40.4	12%	0.117	21%	0.209	C	C	.	.	H	α-helix	trans	-66	-40.8	175.3	-70.4	179.5	85.9	0	0	111.7	W589 S689 R690 F696 P697 V700	W589-Q693 VanDerWaalsContact CG-NE2 3.28Å; S689-Q693 WeakPolarHBondContact O-CG 3.22Å; S689-Q693 PolarHBondContact O-NE2 3.04Å; R690-Q693 PolarHBondContact O-N 3.3Å; Q693-F696 CarbonylContact O-C 3.52Å; Q693-P697 WeakPolarHBondContact O-CA 3.49Å; Q693-V700 HydrophobicContact CG-CG2 4.42Å
694	K	90.9	Very high	92.3	Very high	134 Å²	134	33.7 Å²	33.7	58%	0.583	17%	0.173	S	C	*	.	H	α-helix	trans	-65.9	-40.2	174.4	-76.6	-169.5	173.6	-169.8	0	113.2	R690 Y691	R690-K694 HydrophobicContact CG-CD 4.3Å; R690-K694 HydrophobicContact CG-CG 4.42Å; R690-K694 VanDerWaalsContact CZ-NZ 3.31Å; R690-K694 WeakPolarHBondContact O-CG 3.42Å; R690-K694 PolarHBondContact O-N 3.17Å; Y691-K694 PolarHBondContact O-N 3.41Å
695	T	93.8	Very high	92.8	Very high	33 Å²	33	31.3 Å²	31.3	20%	0.202	17%	0.168	C	C	.	.	H	α-helix	trans	-76.9	-33.9	-176.3	-50.7	0	0	0	0	111.5	K635 Y691 F692	K635-T695 HydrophobicContact CB-CG2 4.08Å; Y691-T695 WeakPolarHBondContact O-CB 3.25Å; Y691-T695 PolarHBondContact O-N 2.99Å; Y691-T695 PolarHBondContact O-OG1 3.01Å; F692-T695 PolarHBondContact O-N 3.2Å
696	F	95.8	Very high	93.3	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	18%	0.175	C	C	.	.			trans	-134.4	72.4	-176.4	-48.4	-69.5	0	0	0	111.5	S628 F629 W632 K635 I636 L662 F692 Q693 D698 L699	S628-F696 WeakPolarHBondContact OG-CA 3.46Å; F629-F696 HydrophobicContact CB-CD1 3.8Å; F629-F696 HydrophobicContact CB-CE1 4.21Å; F629-F696 HydrophobicContact CB-CG 4.43Å; F629-F696 HydrophobicContact CD1-CB 4.45Å; W632-F696 HydrophobicContact CB-CE1 3.57Å; W632-F696 HydrophobicContact CB-CZ 3.7Å; K635-F696 HydrophobicContact CB-CE1 3.98Å; K635-F696 HydrophobicContact CB-CZ 4.15Å; K635-F696 HydrophobicContact CD-CD1 4.48Å; K635-F696 HydrophobicContact CD-CE1 3.93Å; K635-F696 HydrophobicContact CG-CE1 4.47Å; I636-F696 HydrophobicContact CD1-CE2 3.77Å; I636-F696 HydrophobicContact CD1-CZ 3.85Å; I636-F696 HydrophobicContact CG1-CZ 4.34Å; L662-F696 HydrophobicContact CD1-CD2 4.41Å; L662-F696 HydrophobicContact CD1-CE2 3.93Å; L662-F696 HydrophobicContact CD1-CZ 4.3Å; L662-F696 HydrophobicContact CD2-CD2 4.4Å; L662-F696 HydrophobicContact CD2-CG 4.46Å; F692-F696 HydrophobicContact CD1-CD2 4.14Å; F692-F696 HydrophobicContact CD1-CE2 4.07Å; F692-F696 WeakPolarHBondContact O-CA 3.4Å; F692-F696 PolarHBondContact O-N 3.3Å; Q693-F696 CarbonylContact O-C 3.52Å; F696-D698 PolarHBondContact O-N 3.23Å; F696-L699 HydrophobicContact CB-CB 3.91Å; F696-L699 HydrophobicContact CB-CD2 4.36Å; F696-L699 WeakPolarHBondContact O-CB 3.47Å; F696-L699 PolarHBondContact O-N 2.93Å; F696-L699 VanDerWaalsContact O-N 3.17Å
697	P	93.4	Very high	93.7	Very high	64 Å²	64	31 Å²	31	42%	0.416	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.3	-170.3	24.9	-35.1	0	0	0	114.7	Q693	Q693-P697 WeakPolarHBondContact O-CA 3.49Å
698	D	94.5	Very high	93.9	Very high	29 Å²	29	29 Å²	29	16%	0.155	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-6.1	179.8	57.9	-14.7	0	0	0	113.7	E557 V627 S628 F629 F696 V700 Y702	E557-D698 HydrophobicContact CG-CB 4.25Å; V627-D698 VanDerWaalsContact CA-OD2 3.3Å; V627-D698 WeakPolarHBondContact CA-OD2 3.47Å; V627-D698 WeakPolarHBondContact CB-OD2 3.4Å; S628-D698 WeakPolarHBondContact CB-OD1 3.22Å; S628-D698 PolarHBondContact N-OD2 3.31Å; S628-D698 PolarHBondContact OG-OD1 3.42Å; F629-D698 WeakPolarHBondContact CD1-OD1 3.21Å; F629-D698 WeakPolarHBondContact CE1-OD1 3.46Å; F696-D698 PolarHBondContact O-N 3.23Å; D698-V700 PolarHBondContact O-N 2.86Å; D698-Y702 WeakPolarHBondContact O-CB 3.36Å; D698-Y702 PolarHBondContact O-N 3.16Å
699	L	96.3	Very high	94	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-67	-40.4	-171.6	-179.8	63	0	0	0	113.3	L596 F629 L662 I666 F696 Y702 V703	L596-L699 HydrophobicContact CD1-CD2 3.99Å; L596-L699 HydrophobicContact CD1-CG 4.38Å; L596-L699 HydrophobicContact CD2-CD2 4.41Å; L596-L699 HydrophobicContact CD2-CG 4.15Å; F629-L699 HydrophobicContact CD1-CB 4.01Å; F629-L699 HydrophobicContact CD1-CD1 3.93Å; F629-L699 HydrophobicContact CE1-CB 4.02Å; F629-L699 HydrophobicContact CE1-CD1 3.9Å; F629-L699 HydrophobicContact CE2-CD1 4.49Å; F629-L699 HydrophobicContact CG-CD1 4.26Å; F629-L699 HydrophobicContact CZ-CD1 4.19Å; L662-L699 HydrophobicContact CD2-CD1 4.08Å; L662-L699 HydrophobicContact CD2-CD2 3.85Å; L662-L699 HydrophobicContact CG-CD2 4.24Å; I666-L699 HydrophobicContact CD1-CD2 3.54Å; F696-L699 HydrophobicContact CB-CB 3.91Å; F696-L699 HydrophobicContact CB-CD2 4.36Å; F696-L699 WeakPolarHBondContact O-CB 3.47Å; F696-L699 PolarHBondContact O-N 2.93Å; F696-L699 VanDerWaalsContact O-N 3.17Å; L699-Y702 PolarHBondContact O-N 3.44Å; L699-V703 HydrophobicContact CD1-CG2 4.17Å; L699-V703 WeakPolarHBondContact O-CG2 3.17Å; L699-V703 PolarHBondContact O-N 3.04Å
700	V	97.1	Very high	94.2	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.03	18%	0.183	C	C	.	.	H	α-helix	trans	-66.2	-51.6	-177.4	174.6	0	0	0	0	110.1	P584 R592 L596 Q693 D698 Y702 V703 Y704	P584-V700 HydrophobicContact CB-CG1 3.7Å; P584-V700 HydrophobicContact CG-CG1 4.29Å; R592-V700 HydrophobicContact CB-CG1 4.3Å; R592-V700 HydrophobicContact CB-CG2 4.13Å; R592-V700 HydrophobicContact CG-CG1 4.09Å; L596-V700 HydrophobicContact CD1-CG2 4.07Å; Q693-V700 HydrophobicContact CG-CG2 4.42Å; D698-V700 PolarHBondContact O-N 2.86Å; V700-Y702 VanDerWaalsContact C-N 3.31Å; V700-Y702 PolarHBondContact O-N 2.97Å; V700-V703 PolarHBondContact O-N 3Å; V700-Y704 WeakPolarHBondContact O-CB 3.35Å; V700-Y704 PolarHBondContact O-N 3.21Å
701	I	96.5	Very high	94.3	Very high	16 Å²	16	39.9 Å²	39.9	8%	0.082	20%	0.202	C	C	.	.	H	α-helix	trans	-62.8	-37.1	176.9	-68.6	-56.6	0	0	0	112.1	E557 E558 D561 P584 Y704 T705	E557-I701 HydrophobicContact CB-CG1 4.46Å; E558-I701 HydrophobicContact CB-CD1 4.28Å; E558-I701 HydrophobicContact CB-CG1 4.44Å; E558-I701 HydrophobicContact CG-CD1 3.88Å; E558-I701 HydrophobicContact CG-CG1 3.93Å; D561-I701 HydrophobicContact CB-CD1 4.08Å; D561-I701 HydrophobicContact CB-CG1 4.29Å; D561-I701 HydrophobicContact CB-CG2 3.92Å; P584-I701 HydrophobicContact CB-CD1 3.94Å; P584-I701 HydrophobicContact CG-CD1 3.89Å; I701-Y704 PolarHBondContact O-N 3.03Å; I701-T705 VanDerWaalsContact O-CB 3.31Å; I701-T705 WeakPolarHBondContact O-CB 3.33Å; I701-T705 PolarHBondContact O-N 3.06Å; I701-T705 PolarHBondContact O-OG1 3.49Å
702	Y	95.7	Very high	94.5	Very high	21 Å²	21	38.8 Å²	38.8	8%	0.082	20%	0.197	C	C	.	.	H	α-helix	trans	-59.3	-52.1	174.4	-177	-91.2	0	0	0	111.7	L618 Q619 P620 V627 F629 V659 D698 L699 V700 Y704 T705 K706	L618-Y702 PolarHBondContact O-OH 2.91Å; Q619-Y702 PolarHBondContact O-OH 3.23Å; P620-Y702 WeakPolarHBondContact CA-OH 3.47Å; V627-Y702 HydrophobicContact CG1-CD2 4.43Å; F629-Y702 HydrophobicContact CE1-CG 4.47Å; F629-Y702 HydrophobicContact CE2-CD1 4.22Å; F629-Y702 HydrophobicContact CE2-CE1 4.33Å; F629-Y702 HydrophobicContact CE2-CG 4.35Å; F629-Y702 AromaticContact CZ-CD1 3.82Å; F629-Y702 HydrophobicContact CZ-CD1 3.82Å; F629-Y702 AromaticContact CZ-CD2 3.89Å; F629-Y702 HydrophobicContact CZ-CD2 3.89Å; F629-Y702 HydrophobicContact CZ-CE1 4.34Å; F629-Y702 HydrophobicContact CZ-CE2 4.39Å; F629-Y702 AromaticContact CZ-CG 3.57Å; F629-Y702 HydrophobicContact CZ-CG 3.57Å; V659-Y702 HydrophobicContact CG1-CD1 4.42Å; V659-Y702 HydrophobicContact CG1-CE1 4.08Å; V659-Y702 HydrophobicContact CG2-CE1 4.13Å; D698-Y702 WeakPolarHBondContact O-CB 3.36Å; D698-Y702 PolarHBondContact O-N 3.16Å; L699-Y702 PolarHBondContact O-N 3.44Å; V700-Y702 VanDerWaalsContact C-N 3.31Å; V700-Y702 PolarHBondContact O-N 2.97Å; Y702-Y704 VanDerWaalsContact C-N 3.34Å; Y702-Y704 PolarHBondContact O-N 3.41Å; Y702-T705 PolarHBondContact O-N 2.75Å; Y702-K706 HydrophobicContact CD1-CG 4.3Å; Y702-K706 HydrophobicContact CE1-CG 3.95Å; Y702-K706 VanDerWaalsContact CZ-CE 3.45Å; Y702-K706 WeakPolarHBondContact O-CG 3.45Å; Y702-K706 PolarHBondContact O-N 2.97Å; Y702-K706 WeakPolarHBondContact OH-CE 3.37Å
703	V	96.6	Very high	94.5	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-63.3	-41.8	179.5	172.4	0	0	0	0	111.2	L596 V599 L618 L663 L699 V700 L707	L596-V703 HydrophobicContact CD2-CB 4.16Å; L596-V703 HydrophobicContact CD2-CG1 4.38Å; L596-V703 HydrophobicContact CD2-CG2 3.85Å; V599-V703 HydrophobicContact CG2-CG1 4.26Å; L618-V703 HydrophobicContact CD2-CG2 4.46Å; L663-V703 HydrophobicContact CD1-CG2 4.26Å; L663-V703 HydrophobicContact CD2-CG2 4.07Å; L699-V703 HydrophobicContact CD1-CG2 4.17Å; L699-V703 WeakPolarHBondContact O-CG2 3.17Å; L699-V703 PolarHBondContact O-N 3.04Å; V700-V703 PolarHBondContact O-N 3Å; V703-L707 HydrophobicContact CG1-CD1 3.83Å; V703-L707 WeakPolarHBondContact O-CB 3.44Å; V703-L707 WeakPolarHBondContact O-CG 3.25Å; V703-L707 PolarHBondContact O-N 3.27Å; V703-L707 VanDerWaalsContact O-N 3.14Å
704	Y	96.2	Very high	94.7	Very high	15 Å²	15	49.5 Å²	49.5	6%	0.059	24%	0.24	C	C	.	.	H	α-helix	trans	-57.7	-53.1	175.7	174.8	-103.5	0	0	0	111.4	H583 P584 W587 V700 I701 Y702 K706 L707 Q708 F716	H583-Y704 AromaticContact CD2-CE1 3.75Å; P584-Y704 HydrophobicContact CG-CD1 3.89Å; P584-Y704 HydrophobicContact CG-CD2 3.54Å; P584-Y704 HydrophobicContact CG-CE1 4.49Å; P584-Y704 HydrophobicContact CG-CE2 4.19Å; P584-Y704 HydrophobicContact CG-CG 3.37Å; W587-Y704 AromaticContact CH2-CD2 3.88Å; W587-Y704 HydrophobicContact CH2-CD2 3.88Å; W587-Y704 AromaticContact CZ2-CD2 3.91Å; W587-Y704 HydrophobicContact CZ2-CD2 3.91Å; W587-Y704 HydrophobicContact CZ2-CE2 4.23Å; V700-Y704 WeakPolarHBondContact O-CB 3.35Å; V700-Y704 PolarHBondContact O-N 3.21Å; I701-Y704 PolarHBondContact O-N 3.03Å; Y702-Y704 VanDerWaalsContact C-N 3.34Å; Y702-Y704 PolarHBondContact O-N 3.41Å; Y704-K706 PolarHBondContact O-N 3.31Å; Y704-L707 PolarHBondContact O-N 2.85Å; Y704-Q708 HydrophobicContact CE2-CB 4.23Å; Y704-Q708 VanDerWaalsContact O-CB 3.26Å; Y704-Q708 WeakPolarHBondContact O-CB 3.44Å; Y704-Q708 PolarHBondContact O-N 3.35Å; Y704-F716 HydrophobicContact CD2-CD2 4.01Å; Y704-F716 AromaticContact CD2-CE2 3.44Å; Y704-F716 HydrophobicContact CD2-CE2 3.44Å; Y704-F716 VanDerWaalsContact CD2-CE2 3.44Å; Y704-F716 AromaticContact CD2-CZ 3.95Å; Y704-F716 HydrophobicContact CD2-CZ 3.95Å; Y704-F716 HydrophobicContact CE2-CD2 4.17Å; Y704-F716 AromaticContact CE2-CE2 3.82Å; Y704-F716 HydrophobicContact CE2-CE2 3.82Å; Y704-F716 HydrophobicContact CG-CE2 4.43Å
705	T	94.1	Very high	94.9	Very high	63 Å²	63	44.5 Å²	44.5	39%	0.387	22%	0.219	S	C	.	.	H	α-helix	trans	-61.6	-40.2	-177.4	-59.8	0	0	0	0	112.4	I701 Y702	I701-T705 VanDerWaalsContact O-CB 3.31Å; I701-T705 WeakPolarHBondContact O-CB 3.33Å; I701-T705 PolarHBondContact O-N 3.06Å; I701-T705 PolarHBondContact O-OG1 3.49Å; Y702-T705 PolarHBondContact O-N 2.75Å
706	K	94.6	Very high	95	Very high	45 Å²	45	43.9 Å²	43.9	20%	0.196	21%	0.213	C	C	.	.	H	α-helix	trans	-70.7	-29.7	178.5	-65.7	-58.9	-170.2	177.9	0	113.4	L617 L618 E624 Y702 Y704	L617-K706 VanDerWaalsContact O-CD 3.27Å; L617-K706 WeakPolarHBondContact O-CD 3.3Å; L618-K706 HydrophobicContact CD2-CB 4.32Å; E624-K706 VanDerWaalsContact CD-NZ 3.29Å; E624-K706 IonicContact OE1-NZ 3.77Å; E624-K706 PolarHBondContact OE1-NZ 3.35Å; E624-K706 IonicContact OE2-NZ 2.74Å; E624-K706 PolarHBondContact OE2-NZ 2.97Å; Y702-K706 HydrophobicContact CD1-CG 4.3Å; Y702-K706 HydrophobicContact CE1-CG 3.95Å; Y702-K706 VanDerWaalsContact CZ-CE 3.45Å; Y702-K706 WeakPolarHBondContact O-CG 3.45Å; Y702-K706 PolarHBondContact O-N 2.97Å; Y702-K706 WeakPolarHBondContact OH-CE 3.37Å; Y704-K706 PolarHBondContact O-N 3.31Å
707	L	96.1	Very high	94.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-111.8	-12.4	-168.5	-56.8	-176.4	0	0	0	114.7	V599 L617 L618 V703 Y704 N709 T710 Y712 F716	V599-L707 HydrophobicContact CG1-CD1 3.91Å; V599-L707 HydrophobicContact CG2-CD1 4.04Å; L617-L707 HydrophobicContact CB-CD2 4.2Å; L617-L707 HydrophobicContact CD1-CD2 4.23Å; L618-L707 HydrophobicContact CD2-CD1 4.41Å; L618-L707 HydrophobicContact CD2-CD2 4.38Å; L618-L707 HydrophobicContact CD2-CG 4.38Å; V703-L707 HydrophobicContact CG1-CD1 3.83Å; V703-L707 WeakPolarHBondContact O-CB 3.44Å; V703-L707 WeakPolarHBondContact O-CG 3.25Å; V703-L707 PolarHBondContact O-N 3.27Å; V703-L707 VanDerWaalsContact O-N 3.14Å; Y704-L707 PolarHBondContact O-N 2.85Å; L707-N709 PolarHBondContact O-N 3.39Å; L707-N709 VanDerWaalsContact O-N 3.1Å; L707-T710 PolarHBondContact O-N 2.88Å; L707-T710 VanDerWaalsContact O-N 3.09Å; L707-T710 PolarHBondContact O-OG1 3.21Å; L707-Y712 HydrophobicContact CD2-CD2 4.25Å; L707-Y712 HydrophobicContact CD2-CG 4.48Å; L707-F716 HydrophobicContact CB-CE1 4.27Å; L707-F716 HydrophobicContact CB-CZ 3.89Å
708	Q	92.1	Very high	94.2	Very high	34 Å²	34	51 Å²	51	16%	0.159	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-33.2	-172.9	58.9	172.9	19.1	0	0	114.9	Y704 R713 F716	Y704-Q708 HydrophobicContact CE2-CB 4.23Å; Y704-Q708 VanDerWaalsContact O-CB 3.26Å; Y704-Q708 WeakPolarHBondContact O-CB 3.44Å; Y704-Q708 PolarHBondContact O-N 3.35Å; Q708-R713 WeakPolarHBondContact O-CD 3.49Å; Q708-F716 HydrophobicContact CB-CE2 4.13Å
709	N	91.4	Very high	92.7	Very high	139 Å²	139	53.9 Å²	53.9	74%	0.743	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.9	31	-177.3	-65.1	-27.7	0	0	0	112.4	L707	L707-N709 PolarHBondContact O-N 3.39Å; L707-N709 VanDerWaalsContact O-N 3.1Å
710	T	95.3	Very high	90.2	Very high	38 Å²	38	62.9 Å²	62.9	23%	0.233	31%	0.305	C	S	.	.	S	Bend	trans	-130.7	169.2	-175.5	75.3	0	0	0	0	111.4	L617 L707 Y712 R713	L617-T710 HydrophobicContact CD1-CG2 3.91Å; L617-T710 HydrophobicContact CD2-CG2 4.4Å; L707-T710 PolarHBondContact O-N 2.88Å; L707-T710 VanDerWaalsContact O-N 3.09Å; L707-T710 PolarHBondContact O-OG1 3.21Å; T710-Y712 PolarHBondContact O-N 3.5Å; T710-Y712 VanDerWaalsContact O-N 3.09Å; T710-Y712 WeakPolarHBondContact OG1-CD2 3.45Å; T710-Y712 PolarHBondContact OG1-N 3.34Å; T710-R713 WeakPolarHBondContact O-CB 3.33Å; T710-R713 PolarHBondContact O-N 2.84Å; T710-R713 VanDerWaalsContact O-N 3.1Å
711	E	94	Very high	87.1	Confident	130 Å²	130	67.7 Å²	67.7	61%	0.607	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-59	-20.9	173.4	65.5	174.9	151.5	0	0	113.4	R713 K714	E711-R713 PolarHBondContact O-N 3.49Å; E711-K714 WeakPolarHBondContact O-CD 2.84Å; E711-K714 WeakPolarHBondContact O-CG 3.3Å; E711-K714 PolarHBondContact O-N 3.04Å
712	Y	95.8	Very high	83.9	Confident	16 Å²	16	72.2 Å²	72.2	6%	0.063	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-76.9	-6.5	-179.8	-54.6	-74.2	0	0	0	113	E602 I614 L617 L707 T710 K714 H715	E602-Y712 HydrophobicContact CG-CD1 4.48Å; I614-Y712 HydrophobicContact CB-CD1 4.42Å; I614-Y712 HydrophobicContact CB-CD2 4.43Å; I614-Y712 HydrophobicContact CB-CE1 3.9Å; I614-Y712 HydrophobicContact CB-CE2 3.95Å; I614-Y712 HydrophobicContact CD1-CD1 3.71Å; I614-Y712 HydrophobicContact CD1-CE1 3.89Å; I614-Y712 HydrophobicContact CD1-CG 4.13Å; I614-Y712 HydrophobicContact CG1-CD1 4.29Å; I614-Y712 HydrophobicContact CG1-CD2 4.42Å; I614-Y712 HydrophobicContact CG1-CE1 4.26Å; I614-Y712 HydrophobicContact CG1-CE2 4.44Å; I614-Y712 HydrophobicContact CG1-CG 4.38Å; L617-Y712 HydrophobicContact CD1-CD2 4.04Å; L617-Y712 HydrophobicContact CD1-CE2 3.99Å; L707-Y712 HydrophobicContact CD2-CD2 4.25Å; L707-Y712 HydrophobicContact CD2-CG 4.48Å; T710-Y712 PolarHBondContact O-N 3.5Å; T710-Y712 VanDerWaalsContact O-N 3.09Å; T710-Y712 WeakPolarHBondContact OG1-CD2 3.45Å; T710-Y712 PolarHBondContact OG1-N 3.34Å; Y712-K714 PolarHBondContact O-N 2.92Å; Y712-K714 VanDerWaalsContact O-N 3.12Å; Y712-H715 WeakPolarHBondContact O-CB 3.46Å; Y712-H715 PolarHBondContact O-CD2 3.19Å; Y712-H715 VanDerWaalsContact O-CD2 3.27Å; Y712-H715 PolarHBondContact O-N 3.39Å; Y712-H715 VanDerWaalsContact O-N 3.11Å
713	R	93.9	Very high	80.7	Confident	124 Å²	124	78.4 Å²	78.4	47%	0.468	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-56.4	-22.9	168.2	-169.4	-172.6	-179.2	160.1	-2.9	112.2	Q708 T710 E711 H715 F716	Q708-R713 WeakPolarHBondContact O-CD 3.49Å; T710-R713 WeakPolarHBondContact O-CB 3.33Å; T710-R713 PolarHBondContact O-N 2.84Å; T710-R713 VanDerWaalsContact O-N 3.1Å; E711-R713 PolarHBondContact O-N 3.49Å; R713-H715 PolarHBondContact O-N 2.69Å; R713-F716 HydrophobicContact CB-CD2 4.43Å; R713-F716 HydrophobicContact CG-CD2 3.66Å; R713-F716 HydrophobicContact CG-CE2 4.11Å; R713-F716 HydrophobicContact CG-CG 4.28Å; R713-F716 WeakPolarHBondContact O-CB 3.41Å; R713-F716 PolarHBondContact O-N 3.18Å
714	K	94.3	Very high	77.3	Confident	131 Å²	131	87.6 Å²	87.6	57%	0.57	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-53.1	-20.7	173.2	72.6	-171.1	178.1	-170.5	0	114.2	E602 E711 Y712	E602-K714 WeakPolarHBondContact OE1-CE 3.19Å; E602-K714 IonicContact OE1-NZ 3.63Å; E602-K714 PolarHBondContact OE1-NZ 3.03Å; E711-K714 WeakPolarHBondContact O-CD 2.84Å; E711-K714 WeakPolarHBondContact O-CG 3.3Å; E711-K714 PolarHBondContact O-N 3.04Å; Y712-K714 PolarHBondContact O-N 2.92Å; Y712-K714 VanDerWaalsContact O-N 3.12Å
715	H	95.6	Very high	74	Confident	29 Å²	29	92.6 Å²	92.6	13%	0.134	48%	0.48	C	S	.	.	G	3₁₀ helix	trans	-84.5	-13.8	178.3	-63.5	-55.5	0	0	0	113.8	N598 V599 E602 Y712 R713	N598-H715 HydrophobicContact CB-CB 4.09Å; V599-H715 HydrophobicContact CG2-CB 3.89Å; E602-H715 IonicContact OE1-CD2 3.86Å; E602-H715 IonicContact OE1-CE1 3.93Å; E602-H715 PolarHBondContact OE1-CE1 3.07Å; E602-H715 VanDerWaalsContact OE1-CE1 3.3Å; E602-H715 IonicContact OE1-NE2 2.82Å; E602-H715 PolarHBondContact OE1-NE2 3.28Å; Y712-H715 WeakPolarHBondContact O-CB 3.46Å; Y712-H715 PolarHBondContact O-CD2 3.19Å; Y712-H715 VanDerWaalsContact O-CD2 3.27Å; Y712-H715 PolarHBondContact O-N 3.39Å; Y712-H715 VanDerWaalsContact O-N 3.11Å; R713-H715 PolarHBondContact O-N 2.69Å
716	F	95.6	Very high	70.7	Confident	19 Å²	19	97.7 Å²	97.7	8%	0.083	50%	0.499	C	S	.	.	S	Bend	trans	-76.4	153.9	179.8	-61.8	-3.9	0	0	0	110.3	W587 T595 Y704 L707 Q708 R713 Q718	W587-F716 HydrophobicContact CH2-CB 3.97Å; W587-F716 AromaticContact CH2-CD1 3.72Å; W587-F716 HydrophobicContact CH2-CD1 3.72Å; W587-F716 AromaticContact CH2-CD2 3.96Å; W587-F716 HydrophobicContact CH2-CD2 3.96Å; W587-F716 HydrophobicContact CH2-CE1 4.18Å; W587-F716 HydrophobicContact CH2-CE2 4.37Å; W587-F716 AromaticContact CH2-CG 3.62Å; W587-F716 HydrophobicContact CH2-CG 3.62Å; W587-F716 HydrophobicContact CH2-CZ 4.49Å; W587-F716 HydrophobicContact CZ2-CB 3.84Å; W587-F716 HydrophobicContact CZ2-CD1 4.4Å; W587-F716 AromaticContact CZ2-CD2 3.94Å; W587-F716 HydrophobicContact CZ2-CD2 3.94Å; W587-F716 AromaticContact CZ2-CG 3.83Å; W587-F716 HydrophobicContact CZ2-CG 3.83Å; T595-F716 HydrophobicContact CG2-CD1 3.64Å; T595-F716 HydrophobicContact CG2-CE1 4.12Å; Y704-F716 HydrophobicContact CD2-CD2 4.01Å; Y704-F716 AromaticContact CD2-CE2 3.44Å; Y704-F716 HydrophobicContact CD2-CE2 3.44Å; Y704-F716 VanDerWaalsContact CD2-CE2 3.44Å; Y704-F716 AromaticContact CD2-CZ 3.95Å; Y704-F716 HydrophobicContact CD2-CZ 3.95Å; Y704-F716 HydrophobicContact CE2-CD2 4.17Å; Y704-F716 AromaticContact CE2-CE2 3.82Å; Y704-F716 HydrophobicContact CE2-CE2 3.82Å; Y704-F716 HydrophobicContact CG-CE2 4.43Å; L707-F716 HydrophobicContact CB-CE1 4.27Å; L707-F716 HydrophobicContact CB-CZ 3.89Å; Q708-F716 HydrophobicContact CB-CE2 4.13Å; R713-F716 HydrophobicContact CB-CD2 4.43Å; R713-F716 HydrophobicContact CG-CD2 3.66Å; R713-F716 HydrophobicContact CG-CE2 4.11Å; R713-F716 HydrophobicContact CG-CG 4.28Å; R713-F716 WeakPolarHBondContact O-CB 3.41Å; R713-F716 PolarHBondContact O-N 3.18Å; F716-Q718 PolarHBondContact O-N 3.3Å
717	P	92.8	Very high	67.4	Low	31 Å²	31	101.4 Å²	101.4	20%	0.201	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-60.1	139	177.1	-19.6	33.4	0	0	0	111	W587	W587-P717 HydrophobicContact CD2-CG 3.74Å; W587-P717 VanDerWaalsContact CE2-CD 3.45Å; W587-P717 HydrophobicContact CE3-CG 4.21Å; W587-P717 HydrophobicContact CG-CG 3.88Å
718	Q	80.3	Confident	64.2	Low	183 Å²	183	107.6 Å²	107.6	86%	0.855	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-77.7	125.5	168.8	-65.9	-160.2	-8.4	0	0	109.1	F716 H720	F716-Q718 PolarHBondContact O-N 3.3Å; Q718-H720 PolarHBondContact O-N 3.31Å
719	T	63.8	Low	61.1	Low	91 Å²	91	110 Å²	110	56%	0.558	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-72.3	121.4	168	45.5	0	0	0	0	107.6	S721	T719-S721 PolarHBondContact O-N 2.81Å
720	H	42.6	Very low	58.1	Low	190 Å²	190	107.8 Å²	107.8	88%	0.88	60%	0.598	S	S	*	*			trans	-62.5	101	176.1	-79.2	-70.8	0	0	0	109.4	Q718 S722	Q718-H720 PolarHBondContact O-N 3.31Å; H720-S722 PolarHBondContact O-N 2.79Å
721	S	32.1	Very low	55	Low	106 Å²	106	110.3 Å²	110.3	74%	0.741	63%	0.631	S	S	*	*			trans	-75.5	102.5	157.8	65.9	0	0	0	0	107.1	T719 N723	T719-S721 PolarHBondContact O-N 2.81Å; S721-N723 PolarHBondContact O-N 3.28Å
722	S	30.2	Very low	51.7	Low	110 Å²	110	107.3 Å²	107.3	77%	0.769	64%	0.635	S	S	*	*			trans	-65.9	83.2	167.8	48.9	0	0	0	0	109.1	H720	H720-S722 PolarHBondContact O-N 2.79Å
723	N	27.7	Very low	48.5	Very low	151 Å²	151	113.7 Å²	113.7	81%	0.807	68%	0.676	S	S	*	*			trans	-165.8	73.7	160.9	-96.1	-21.8	0	0	0	109.6	S721	S721-N723 PolarHBondContact O-N 3.28Å
724	K	25	Very low	45.3	Very low	195 Å²	195	113.4 Å²	113.4	85%	0.848	69%	0.693	S	S	*	*	S	Bend	trans	-165.3	132.9	151	-108.7	169.2	-172.1	-179.7	0	109.1	Q726	K724-Q726 PolarHBondContact O-N 3.46Å
725	P	26.8	Very low	42.2	Very low	119 Å²	119	118.5 Å²	118.5	77%	0.773	71%	0.708	S	S	*	*			trans	-64.8	128.4	173.9	-8.6	22.7	0	0	0	109.1	C727	P725-C727 PolarHBondContact O-N 3.26Å
726	Q	24.3	Very low	39.1	Very low	170 Å²	170	125.2 Å²	125.2	79%	0.794	74%	0.744	S	S	*	*			trans	-65.5	99.5	166.1	-93.9	175.4	-47.3	0	0	108.9	K724 D728	K724-Q726 PolarHBondContact O-N 3.46Å; Q726-D728 VanDerWaalsContact C-N 3.35Å; Q726-D728 PolarHBondContact O-N 3Å
727	C	25.9	Very low	35.9	Very low	124 Å²	124	128.5 Å²	128.5	84%	0.838	78%	0.775	S	S	*	*			trans	-83.4	86.8	152.8	-76.4	0	0	0	0	107.7	P725 G729	P725-C727 PolarHBondContact O-N 3.26Å; C727-G729 PolarHBondContact O-N 3.13Å; C727-G729 VanDerWaalsContact O-N 3.16Å
728	D	28.6	Very low	32.8	Very low	130 Å²	130	132.8 Å²	132.8	70%	0.695	81%	0.806	S	S	*	*			trans	-74.7	100.1	165.5	-79	-25.2	0	0	0	108.9	Q726 A730	Q726-D728 VanDerWaalsContact C-N 3.35Å; Q726-D728 PolarHBondContact O-N 3Å; D728-A730 PolarHBondContact O-N 3.17Å; D728-A730 VanDerWaalsContact O-N 3.13Å
729	G	27.4	Very low	30.8	Very low	83 Å²	83	130.2 Å²	130.2	86%	0.856	81%	0.805	S	S	*	*			trans	-72.1	90.7	163.8	0	0	0	0	0	110.2	C727	C727-G729 PolarHBondContact O-N 3.13Å; C727-G729 VanDerWaalsContact O-N 3.16Å
730	A	28.2	Very low	29.3	Very low	94 Å²	94	129.3 Å²	129.3	78%	0.777	81%	0.814	S	S	*	*			trans	-96	103.7	159.8	0	0	0	0	0	108.7	D728 G732	D728-A730 PolarHBondContact O-N 3.17Å; D728-A730 VanDerWaalsContact O-N 3.13Å; A730-G732 PolarHBondContact O-N 3.3Å; A730-G732 VanDerWaalsContact O-N 3.1Å
731	G	30.1	Very low	28.9	Very low	91 Å²	91	130.3 Å²	130.3	94%	0.938	84%	0.84	S	S	*	*			trans	-60	108.9	166.1	0	0	0	0	0	110.1
732	G	25.8	Very low	28.8	Very low	66 Å²	66	131.5 Å²	131.5	68%	0.68	85%	0.845	S	S	*	*			trans	-138.9	100.7	172.3	0	0	0	0	0	109	A730 S734	A730-G732 PolarHBondContact O-N 3.3Å; A730-G732 VanDerWaalsContact O-N 3.1Å; G732-S734 PolarHBondContact O-N 2.94Å
733	T	28.3	Very low	28.7	Very low	150 Å²	150	132.6 Å²	132.6	92%	0.92	85%	0.849	S	S	*	*			trans	-54.5	118.1	172.1	43.2	0	0	0	0	111.4
734	S	26.4	Very low	28.7	Very low	118 Å²	118	131.6 Å²	131.6	83%	0.825	85%	0.851	S	S	*	*			trans	-147.7	127.3	149.8	73.3	0	0	0	0	110.6	G732	G732-S734 PolarHBondContact O-N 2.94Å
735	R	29.7	Very low	29	Very low	238 Å²	238	127.9 Å²	127.9	90%	0.898	85%	0.851	S	S	*	*			trans	-67.4	143.1	170	-70.7	171.5	169.4	-179.2	-4.6	109
736	L	29	Very low	29.1	Very low	170 Å²	170	128.4 Å²	128.4	89%	0.89	86%	0.856	S	S	*	*			trans	169.4	103.4	140.6	-88.5	153.3	0	0	0	106.9
737	A	29	Very low	29.4	Very low	88 Å²	88	125.7 Å²	125.7	73%	0.727	86%	0.86	S	S	*	*				82.5	104.1	96.8	0	0	0	0	0	113.3
738	S	27.7	Very low	29.7	Very low	121 Å²	121	125.8 Å²	125.8	85%	0.846	86%	0.862	S	S	*	*			trans	-62.3	149.4	162.8	-48.6	0	0	0	0	111.2
739	P	38.7	Very low	29.7	Very low	129 Å²	129	125.5 Å²	125.5	84%	0.838	87%	0.874	S	S	*	*				-135.4	151.8	103.2	31.2	-15.4	0	0	0	110.3
740	G	32.8	Very low	29.9	Very low	73 Å²	73	129 Å²	129	75%	0.753	88%	0.876	S	S	*	*			cis	99.6	71.3	41	0	0	0	0	0	109.6
741	C	33.7	Very low	30.1	Very low	210 Å²	210	132.2 Å²	132.2	100%	1.419	89%	0.885	S	S	*	*			trans	178.9	0	147.9	-99.9	0	0	0	0	108.9

Retrieved 741 of 741 residues in 241.3 ms (Link to these results)

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