A0A087YJI4_POEFO Loading...

Phospholipase A1 member A

AlphaFold DB , UniProt , Accession A0A087YJI4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 458 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	39.2	Very low	32.6	Very low	235 Å²	235	161.1 Å²	161.1	100%	1.158	83%	0.833	S	S	*	*				0	117.3	0	-75.2	-178	-90.1	0	0	106.5
2	P	41.4	Very low	32.5	Very low	129 Å²	129	160 Å²	160	84%	0.838	83%	0.827	S	S	*	*				-125.9	153.7	58.4	26.6	-7.3	0	0	0	115
3	W	31.2	Very low	32.1	Very low	236 Å²	236	160.3 Å²	160.3	89%	0.894	83%	0.83	S	S	*	*			trans	-92.3	127.5	174.4	-80.9	-21.6	0	0	0	109.4
4	E	34.1	Very low	31.9	Very low	143 Å²	143	160.6 Å²	160.6	67%	0.668	83%	0.832	S	S	*	*				81.2	98.5	70.1	-77.6	-152.3	134.2	0	0	114.2	K6	E4-K6 IonicContact OE1-NZ 3.61Å; E4-K6 PolarHBondContact OE1-NZ 3.4Å
5	D	34.9	Very low	31.8	Very low	171 Å²	171	158.7 Å²	158.7	91%	0.914	83%	0.83	S	S	*	*			trans	-113.3	120.3	153.5	-89.5	-35.1	0	0	0	107.8
6	K	31.6	Very low	31.5	Very low	162 Å²	162	162.9 Å²	162.9	70%	0.704	83%	0.833	S	S	*	*			trans	-137.6	106.6	168.7	-78.4	-178.9	-178.3	155.6	0	109.9	E4	E4-K6 IonicContact OE1-NZ 3.61Å; E4-K6 PolarHBondContact OE1-NZ 3.4Å
7	A	30.1	Very low	31.4	Very low	105 Å²	105	159.5 Å²	159.5	87%	0.868	83%	0.827	S	S	*	*			trans	-91.8	121	158.5	0	0	0	0	0	108.3
8	I	32.4	Very low	31.3	Very low	130 Å²	130	156.9 Å²	156.9	67%	0.667	83%	0.826	S	S	*	*			trans	-114.5	111.7	171.2	-62.4	176.8	0	0	0	107	F10	I8-F10 HydrophobicContact CG2-CD2 3.63Å; I8-F10 HydrophobicContact CG2-CE2 3.95Å
9	L	29.6	Very low	31.2	Very low	171 Å²	171	154.2 Å²	154.2	90%	0.895	82%	0.821	S	S	*	*			trans	-86.6	115.1	167.2	-93.4	149	0	0	0	108.3
10	F	27.6	Very low	31.3	Very low	179 Å²	179	156.1 Å²	156.1	79%	0.785	83%	0.825	S	S	*	*			trans	-104.3	112.9	166.4	-106.6	-83.1	0	0	0	109.6	I8	I8-F10 HydrophobicContact CG2-CD2 3.63Å; I8-F10 HydrophobicContact CG2-CE2 3.95Å
11	S	26.8	Very low	31.2	Very low	111 Å²	111	154.9 Å²	154.9	78%	0.776	82%	0.823	S	S	*	*			trans	-74.9	127.1	168	-45.5	0	0	0	0	109.3
12	I	30.7	Very low	30.6	Very low	148 Å²	148	151.4 Å²	151.4	76%	0.759	81%	0.808	S	S	*	*			trans	-123.7	116	165.7	-64.5	-179.8	0	0	0	108.5
13	L	27.9	Very low	30	Very low	164 Å²	164	150.1 Å²	150.1	86%	0.859	81%	0.809	S	S	*	*			trans	-61.6	130	171.3	-78.7	136.7	0	0	0	110.7
14	L	29.1	Very low	29.8	Very low	164 Å²	164	143.2 Å²	143.2	86%	0.859	80%	0.796	S	S	*	*			trans	-117.9	119.6	159.6	-86.3	162.6	0	0	0	109.1
15	V	29.7	Very low	30.2	Very low	133 Å²	133	140.4 Å²	140.4	81%	0.806	81%	0.805	S	S	*	*			trans	-70.7	129.1	-174.9	172.5	0	0	0	0	110
16	Y	27.4	Very low	29.9	Very low	225 Å²	225	140.8 Å²	140.8	88%	0.882	80%	0.802	S	S	*	*			trans	-72	121.9	167.3	-101.8	-102	0	0	0	109.8
17	S	29.2	Very low	30.2	Very low	105 Å²	105	140.3 Å²	140.3	73%	0.734	81%	0.805	S	S	*	*			trans	-109.5	103.6	161.2	60.3	0	0	0	0	109.1	S19	S17-S19 PolarHBondContact O-N 3.36Å
18	S	31	Very low	30.4	Very low	114 Å²	114	144.2 Å²	144.2	80%	0.797	81%	0.805	S	S	*	*			trans	-78.3	109.5	170.3	50.6	0	0	0	0	109.7
19	S	29.5	Very low	31	Very low	104 Å²	104	146.6 Å²	146.6	73%	0.727	81%	0.814	S	S	*	*			trans	-99.7	108.3	165.2	-54.9	0	0	0	0	107.9	S17 V21	S17-S19 PolarHBondContact O-N 3.36Å; S19-V21 PolarHBondContact O-N 3.19Å
20	Q	32.6	Very low	31.7	Very low	193 Å²	193	143.5 Å²	143.5	90%	0.902	80%	0.798	S	S	*	*			trans	-76.7	111.1	164.6	-73	-173.1	-14.9	0	0	107.7
21	V	28.6	Very low	33.1	Very low	130 Å²	130	139 Å²	139	79%	0.788	80%	0.802	S	S	*	*			trans	-99.8	112.3	164.1	177.1	0	0	0	0	106.8	S19 A23	S19-V21 PolarHBondContact O-N 3.19Å; V21-A23 PolarHBondContact O-N 2.97Å
22	L	28.1	Very low	35.8	Very low	163 Å²	163	141.1 Å²	141.1	85%	0.853	80%	0.8	S	S	*	*			trans	-60.4	109.5	164.8	-79	154.9	0	0	0	107.6	S24	L22-S24 VanDerWaalsContact C-N 3.27Å; L22-S24 PolarHBondContact O-N 3.18Å
23	A	26.8	Very low	38.6	Very low	102 Å²	102	136.7 Å²	136.7	84%	0.843	78%	0.782	S	S	*	*			trans	-74.4	85	169.2	0	0	0	0	0	108.6	V21	V21-A23 PolarHBondContact O-N 2.97Å
24	S	28.2	Very low	41.7	Very low	91 Å²	91	129.8 Å²	129.8	64%	0.636	75%	0.748	S	S	*	*			trans	-64.8	131.1	151.8	46.7	0	0	0	0	107.6	L22 E26	L22-S24 VanDerWaalsContact C-N 3.27Å; L22-S24 PolarHBondContact O-N 3.18Å; S24-E26 PolarHBondContact O-N 3.43Å
25	G	43.1	Very low	44.7	Very low	83 Å²	83	127.9 Å²	127.9	86%	0.856	74%	0.735	S	S	*	*			trans	-51.9	122.6	-178.8	0	0	0	0	0	111.5
26	E	28.6	Very low	47.5	Very low	180 Å²	180	122.5 Å²	122.5	84%	0.841	70%	0.702	S	S	*	*			trans	-120.5	135.1	168	-78.3	-174.7	159.9	0	0	109.3	S24	S24-E26 PolarHBondContact O-N 3.43Å
27	I	38.1	Very low	50.4	Low	152 Å²	152	114.3 Å²	114.3	78%	0.779	67%	0.673	S	S	*	*			trans	-57.1	126.1	-178.3	-66.2	154.6	0	0	0	109.1	E29	I27-E29 HydrophobicContact CG2-CG 4.18Å; I27-E29 PolarHBondContact O-N 3.01Å
28	Q	33.2	Very low	53	Low	186 Å²	186	113.1 Å²	113.1	87%	0.869	66%	0.658	S	S	*	*			trans	-80.3	78.1	167.2	-167.1	160.9	8.4	0	0	109.3
29	E	46.1	Very low	55.2	Low	180 Å²	180	108.3 Å²	108.3	84%	0.841	62%	0.624	S	S	*	*			trans	-87.9	100.5	146	-84.9	-171.7	160.9	0	0	106.3	I27	I27-E29 HydrophobicContact CG2-CG 4.18Å; I27-E29 PolarHBondContact O-N 3.01Å
30	D	43.9	Very low	57.2	Low	106 Å²	106	112 Å²	112	57%	0.567	62%	0.622	S	S	*	*			trans	-130.9	124.5	159.2	-163	9.8	0	0	0	108.3	Q32	D30-Q32 PolarHBondContact O-N 2.82Å
31	G	57.6	Low	58.7	Low	85 Å²	85	109.9 Å²	109.9	88%	0.876	61%	0.606	S	S	*	*			trans	-72	35.6	-173.5	0	0	0	0	0	114.1
32	Q	82.3	Confident	60.3	Low	156 Å²	156	110.2 Å²	110.2	73%	0.729	60%	0.599	S	S	*	*			trans	-104.6	124.2	178.6	-75.4	-175.7	3.1	0	0	111.2	D30	D30-Q32 PolarHBondContact O-N 2.82Å
33	C	90.8	Very high	62.1	Low	55 Å²	55	105.6 Å²	105.6	37%	0.372	57%	0.573	S	S	.	*			trans	-63.8	141.7	172.7	-51.4	0	0	0	0	110.2	C65	C33-C65 WeakPolarHBondContact CA-SG 3.46Å; C33-C65 HydrophobicContact CB-CB 3.98Å; C33-C65 WeakPolarHBondContact CB-SG 3.5Å; C33-C65 WeakPolarHBondContact SG-CA 3.48Å; C33-C65 WeakPolarHBondContact SG-CB 3.39Å; C33-C65 CovalentContact SG-SG 2.03Å; C33-C65 PolarHBondContact SG-SG 3.09Å
34	A	92.6	Very high	63.8	Low	19 Å²	19	102 Å²	102	16%	0.157	54%	0.538	C	S	.	.			trans	-68.7	134.3	171.7	0	0	0	0	0	109.8	L56 A66 K68	A34-L56 HydrophobicContact CB-CD2 3.75Å; A34-A66 WeakPolarHBondContact CB-O 3.38Å; A34-A66 PolarHBondContact N-O 2.73Å; A34-K68 HydrophobicContact CB-CG 3.72Å
35	E	91.6	Very high	65.5	Low	123 Å²	123	106.8 Å²	106.8	58%	0.575	54%	0.542	S	S	*	.			trans	-116.8	154.7	179.4	-62.9	-159.4	165.1	0	0	111.7	Q54 K100	E35-Q54 PolarHBondContact O-NE2 2.82Å; E35-K100 IonicContact OE1-NZ 3.69Å; E35-K100 IonicContact OE2-NZ 3.79Å; E35-K100 PolarHBondContact OE2-NZ 3Å
36	L	89.1	Confident	66.4	Low	21 Å²	21	110.5 Å²	110.5	11%	0.11	54%	0.537	C	S	.	.			trans	-62.4	141.5	165.4	-73.3	87.5	0	0	0	109.7	L56 K100 P101 V104 V121 D123	L36-L56 HydrophobicContact CD1-CD1 3.77Å; L36-L56 HydrophobicContact CG-CD1 3.92Å; L36-K100 HydrophobicContact CB-CB 3.89Å; L36-P101 HydrophobicContact CD2-CG 3.87Å; L36-V104 HydrophobicContact CD1-CG1 4.1Å; L36-V104 HydrophobicContact CD2-CG1 4.44Å; L36-V104 HydrophobicContact CD2-CG2 4.31Å; L36-V121 HydrophobicContact CD1-CG1 4.31Å; L36-V121 HydrophobicContact CD2-CG1 4.21Å; L36-V121 HydrophobicContact CG-CG1 4.4Å; L36-D123 WeakPolarHBondContact CA-OD2 3.45Å; L36-D123 HydrophobicContact CD2-CB 4.2Å; L36-D123 HydrophobicContact CG-CB 4.08Å
37	N	87.9	Confident	67.8	Low	52 Å²	52	105.4 Å²	105.4	28%	0.278	51%	0.513	S	S	.	.			trans	-65.4	156.9	176.9	-72.3	-27.8	0	0	0	110.8	Q54 D123 I125 Y126	N37-Q54 PolarHBondContact ND2-NE2 2.83Å; N37-Q54 PolarHBondContact OD1-NE2 3.04Å; N37-Q54 VanDerWaalsContact OD1-NE2 3.16Å; N37-D123 WeakPolarHBondContact CB-OD2 3.49Å; N37-D123 PolarHBondContact N-OD2 2.03Å; N37-I125 HydrophobicContact CB-CG2 3.51Å; N37-Y126 HydrophobicContact CB-CE2 3.81Å; N37-Y126 WeakPolarHBondContact ND2-CE2 2.92Å
38	N	84.1	Confident	68.8	Low	80 Å²	80	106.3 Å²	106.3	43%	0.428	51%	0.507	S	S	.	.			trans	-119.5	152.8	162.1	-74.1	-62	0	0	0	107.6	G98 R99 K100 Y126	N38-G98 WeakPolarHBondContact CA-O 3.37Å; N38-R99 WeakPolarHBondContact OD1-CA 2.99Å; N38-K100 PolarHBondContact OD1-N 2.83Å; N38-Y126 PolarHBondContact O-OH 2.92Å
39	T	76.7	Confident	69.8	Low	13 Å²	13	104 Å²	104	8%	0.08	51%	0.506	C	S	.	.			trans	-126.2	143.8	172.6	-171.1	0	0	0	0	112.8	E43 G98 Y126	T39-E43 VanDerWaalsContact CA-OE2 3.25Å; T39-E43 WeakPolarHBondContact CA-OE2 3.44Å; T39-E43 PolarHBondContact OG1-OE2 3.12Å; T39-G98 VanDerWaalsContact CG2-CA 3.46Å; T39-G98 PolarHBondContact N-O 3.35Å; T39-Y126 VanDerWaalsContact CB-CD1 3.42Å; T39-Y126 HydrophobicContact CG2-CD1 4.2Å; T39-Y126 WeakPolarHBondContact OG1-CD1 3.33Å; T39-Y126 WeakPolarHBondContact OG1-CE1 3.4Å
40	R	70.7	Confident	71	Confident	181 Å²	181	105.7 Å²	105.7	68%	0.683	50%	0.504	S	S	*	.			trans	-99.6	155.1	167.7	-65.7	-177.2	178.6	-171.9	1.9	110.6	Q42 E43 Y44	R40-Q42 PolarHBondContact O-N 2.69Å; R40-E43 PolarHBondContact N-OE2 2.71Å; R40-E43 PolarHBondContact O-N 3.01Å; R40-Y44 PolarHBondContact O-N 3.25Å
41	W	64.5	Low	72.8	Confident	149 Å²	149	101.6 Å²	101.6	56%	0.564	48%	0.483	S	S	*	.	H	α-helix	trans	-49.3	-28.8	175.4	-90.2	87.9	0	0	0	115	F130	W41-F130 HydrophobicContact CE3-CD2 4.21Å; W41-F130 AromaticContact CE3-CE2 3.56Å; W41-F130 HydrophobicContact CE3-CE2 3.56Å; W41-F130 HydrophobicContact CE3-CZ 4.46Å; W41-F130 AromaticContact CH2-CD2 3.89Å; W41-F130 HydrophobicContact CH2-CD2 3.89Å; W41-F130 AromaticContact CH2-CE2 3.47Å; W41-F130 HydrophobicContact CH2-CE2 3.47Å; W41-F130 VanDerWaalsContact CH2-CE2 3.47Å; W41-F130 AromaticContact CH2-CZ 3.98Å; W41-F130 HydrophobicContact CH2-CZ 3.98Å; W41-F130 HydrophobicContact CZ2-CE2 4.42Å; W41-F130 AromaticContact CZ3-CD2 3.78Å; W41-F130 HydrophobicContact CZ3-CD2 3.78Å; W41-F130 AromaticContact CZ3-CE2 2.98Å; W41-F130 HydrophobicContact CZ3-CE2 2.98Å; W41-F130 AromaticContact CZ3-CZ 3.57Å; W41-F130 HydrophobicContact CZ3-CZ 3.57Å
42	Q	61.9	Low	74.1	Confident	137 Å²	137	103.2 Å²	103.2	64%	0.64	47%	0.468	S	S	*	.	H	α-helix	trans	-73.8	-40.7	178.6	-69.8	165.9	-29.2	0	0	112.3	R40 R45 Q46	R40-Q42 PolarHBondContact O-N 2.69Å; Q42-R45 PolarHBondContact O-N 3.48Å; Q42-Q46 WeakPolarHBondContact O-CG 3.37Å; Q42-Q46 PolarHBondContact O-N 2.97Å
43	E	65.6	Low	74.7	Confident	66 Å²	66	96.5 Å²	96.5	31%	0.308	44%	0.437	S	S	.	.	H	α-helix	trans	-67.9	-40.9	178.9	-68	158.8	-173.6	0	0	110.3	T39 R40 R45 Q46 Q47	T39-E43 VanDerWaalsContact CA-OE2 3.25Å; T39-E43 WeakPolarHBondContact CA-OE2 3.44Å; T39-E43 PolarHBondContact OG1-OE2 3.12Å; R40-E43 PolarHBondContact N-OE2 2.71Å; R40-E43 PolarHBondContact O-N 3.01Å; E43-R45 VanDerWaalsContact C-N 3.31Å; E43-R45 PolarHBondContact O-N 3.4Å; E43-Q46 CarbonylContact O-C 3.42Å; E43-Q46 PolarHBondContact O-N 3.34Å; E43-Q47 WeakPolarHBondContact O-CB 3.46Å; E43-Q47 PolarHBondContact O-N 2.66Å
44	Y	62.8	Low	74.9	Confident	28 Å²	28	95.3 Å²	95.3	11%	0.11	43%	0.426	C	S	.	.	H	α-helix	trans	-55.5	-43.4	173.2	176.5	-91.5	0	0	0	112.8	R40 Q46 Q47 R48 S129 F130 V135	R40-Y44 PolarHBondContact O-N 3.25Å; Y44-Q46 VanDerWaalsContact C-N 3.25Å; Y44-Q46 PolarHBondContact O-N 3.46Å; Y44-Q47 PolarHBondContact O-N 3.18Å; Y44-R48 HydrophobicContact CE1-CG 4.42Å; Y44-R48 PolarHBondContact O-N 3.49Å; Y44-S129 VanDerWaalsContact CD2-O 3.3Å; Y44-S129 WeakPolarHBondContact CD2-O 3.28Å; Y44-F130 AromaticContact CD1-CD2 3.21Å; Y44-F130 HydrophobicContact CD1-CD2 3.21Å; Y44-F130 AromaticContact CD1-CE2 3.3Å; Y44-F130 HydrophobicContact CD1-CE2 3.3Å; Y44-F130 AromaticContact CD1-CG 3.86Å; Y44-F130 HydrophobicContact CD1-CG 3.86Å; Y44-F130 HydrophobicContact CD1-CZ 4.11Å; Y44-F130 HydrophobicContact CD2-CB 4.01Å; Y44-F130 HydrophobicContact CD2-CD2 4.1Å; Y44-F130 HydrophobicContact CD2-CG 4.24Å; Y44-F130 HydrophobicContact CE1-CB 4.05Å; Y44-F130 AromaticContact CE1-CD1 3.61Å; Y44-F130 HydrophobicContact CE1-CD1 3.61Å; Y44-F130 AromaticContact CE1-CD2 3.12Å; Y44-F130 HydrophobicContact CE1-CD2 3.12Å; Y44-F130 AromaticContact CE1-CE1 3.79Å; Y44-F130 HydrophobicContact CE1-CE1 3.79Å; Y44-F130 AromaticContact CE1-CE2 3.21Å; Y44-F130 HydrophobicContact CE1-CE2 3.21Å; Y44-F130 AromaticContact CE1-CG 3.31Å; Y44-F130 HydrophobicContact CE1-CG 3.31Å; Y44-F130 AromaticContact CE1-CZ 3.59Å; Y44-F130 HydrophobicContact CE1-CZ 3.59Å; Y44-F130 HydrophobicContact CE2-CB 3.5Å; Y44-F130 VanDerWaalsContact CE2-CB 3.5Å; Y44-F130 HydrophobicContact CE2-CD1 4.42Å; Y44-F130 HydrophobicContact CE2-CD2 4.04Å; Y44-F130 AromaticContact CE2-CG 3.76Å; Y44-F130 HydrophobicContact CE2-CG 3.76Å; Y44-F130 HydrophobicContact CG-CB 4.49Å; Y44-F130 AromaticContact CG-CD2 3.72Å; Y44-F130 HydrophobicContact CG-CD2 3.72Å; Y44-F130 HydrophobicContact CG-CE2 4.22Å; Y44-F130 HydrophobicContact CG-CG 4.29Å; Y44-F130 VanDerWaalsContact CZ-CB 3.5Å; Y44-F130 AromaticContact CZ-CD1 3.53Å; Y44-F130 AromaticContact CZ-CD2 3.56Å; Y44-F130 AromaticContact CZ-CG 3.23Å; Y44-F130 VanDerWaalsContact OH-CD1 3.28Å; Y44-F130 WeakPolarHBondContact OH-CD1 3.04Å; Y44-F130 WeakPolarHBondContact OH-CG 3.46Å; Y44-V135 HydrophobicContact CE2-CG1 4.18Å
45	R	63.8	Low	75.1	Confident	190 Å²	190	95.7 Å²	95.7	72%	0.717	42%	0.424	S	S	*	.	H	α-helix	trans	-63.5	-33.1	177.7	-76.5	-166.3	-153.4	-177.7	6.5	112.5	Q42 E43	Q42-R45 PolarHBondContact O-N 3.48Å; E43-R45 VanDerWaalsContact C-N 3.31Å; E43-R45 PolarHBondContact O-N 3.4Å
46	Q	61.6	Low	75.4	Confident	161 Å²	161	89.9 Å²	89.9	75%	0.752	40%	0.397	S	S	*	.	H	α-helix	trans	-82.3	-31.3	-178.7	-68	175.9	-12.2	0	0	112.1	Q42 E43 Y44	Q42-Q46 WeakPolarHBondContact O-CG 3.37Å; Q42-Q46 PolarHBondContact O-N 2.97Å; E43-Q46 CarbonylContact O-C 3.42Å; E43-Q46 PolarHBondContact O-N 3.34Å; Y44-Q46 VanDerWaalsContact C-N 3.25Å; Y44-Q46 PolarHBondContact O-N 3.46Å
47	Q	59.8	Low	75.8	Confident	73 Å²	73	88.9 Å²	88.9	34%	0.341	39%	0.391	S	S	.	.			trans	-96.3	12.7	-176.1	-71.3	-177.6	-26.7	0	0	114.8	E43 Y44 V49 R50	E43-Q47 WeakPolarHBondContact O-CB 3.46Å; E43-Q47 PolarHBondContact O-N 2.66Å; Y44-Q47 PolarHBondContact O-N 3.18Å; Q47-V49 PolarHBondContact O-N 3.35Å; Q47-R50 PolarHBondContact O-N 2.93Å
48	R	58.2	Low	76.3	Confident	171 Å²	171	86.9 Å²	86.9	65%	0.645	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-5.2	178.1	-94.2	-167.8	170.8	-163.9	-2.8	116.5	Y44	Y44-R48 HydrophobicContact CE1-CG 4.42Å; Y44-R48 PolarHBondContact O-N 3.49Å
49	V	55.1	Low	76.9	Confident	139 Å²	139	83 Å²	83	84%	0.842	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.6	-15.2	-169.4	-170.9	0	0	0	0	113.6	Q47	Q47-V49 PolarHBondContact O-N 3.35Å
50	R	69.8	Low	77.9	Confident	215 Å²	215	88.2 Å²	88.2	81%	0.811	38%	0.378	S	S	*	.			trans	-145	117	-176.7	-146.8	172	-175.4	177.3	-0.9	113.6	Q47 E52	Q47-R50 PolarHBondContact O-N 2.93Å; R50-E52 PolarHBondContact O-N 3.06Å
51	V	82.7	Confident	79.1	Confident	19 Å²	19	88 Å²	88	12%	0.115	38%	0.377	C	S	.	.			trans	-71.1	118.9	164.9	176.7	0	0	0	0	107.3	V53 N138 E141 V142 Q145	V51-V53 HydrophobicContact CG1-CG2 4.5Å; V51-N138 HydrophobicContact CG2-CB 3.8Å; V51-E141 HydrophobicContact CB-CB 4.4Å; V51-E141 HydrophobicContact CB-CG 3.74Å; V51-E141 HydrophobicContact CG1-CG 4.12Å; V51-E141 HydrophobicContact CG2-CB 4.37Å; V51-E141 HydrophobicContact CG2-CG 4.13Å; V51-V142 HydrophobicContact CG1-CG2 3.55Å; V51-Q145 PolarHBondContact O-NE2 3.43Å
52	E	84.9	Confident	80.6	Confident	120 Å²	120	81.4 Å²	81.4	56%	0.561	35%	0.353	S	S	*	.			trans	-114.5	126.3	176.9	-172.1	173.2	-176.9	0	0	109	R50	R50-E52 PolarHBondContact O-N 3.06Å
53	V	94.1	Very high	82.1	Confident	15 Å²	15	77 Å²	77	9%	0.091	34%	0.336	C	S	.	.			trans	-109	127.3	175.8	-179.2	0	0	0	0	108.8	V51 Y55 V122 D123 W124 V142 Q145	V51-V53 HydrophobicContact CG1-CG2 4.5Å; V53-Y55 HydrophobicContact CG1-CD1 4.31Å; V53-Y55 HydrophobicContact CG1-CE1 3.67Å; V53-Y55 HydrophobicContact CG1-CE2 4.21Å; V53-V122 HydrophobicContact CG1-CG1 3.45Å; V53-V122 VanDerWaalsContact CG1-CG1 3.45Å; V53-D123 WeakPolarHBondContact CA-O 3.44Å; V53-W124 HydrophobicContact CG2-CB 4.08Å; V53-V142 HydrophobicContact CG2-CB 4.35Å; V53-V142 HydrophobicContact CG2-CG1 3.95Å; V53-V142 HydrophobicContact CG2-CG2 4.3Å; V53-Q145 HydrophobicContact CB-CB 4.3Å; V53-Q145 VanDerWaalsContact CB-OE1 3.3Å; V53-Q145 HydrophobicContact CG2-CB 4.04Å; V53-Q145 HydrophobicContact CG2-CG 4.5Å; V53-Q145 VanDerWaalsContact CG2-OE1 3.29Å
54	Q	94.9	Very high	83.3	Confident	30 Å²	30	79.2 Å²	79.2	14%	0.14	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	148.4	166.4	71.8	171.4	-27.8	0	0	110.8	E35 N37 L56 D123	E35-Q54 PolarHBondContact O-NE2 2.82Å; N37-Q54 PolarHBondContact ND2-NE2 2.83Å; N37-Q54 PolarHBondContact OD1-NE2 3.04Å; N37-Q54 VanDerWaalsContact OD1-NE2 3.16Å; Q54-L56 HydrophobicContact CG-CD2 4.46Å; Q54-D123 HydrophobicContact CG-CB 3.62Å; Q54-D123 PolarHBondContact N-O 2.95Å; Q54-D123 PolarHBondContact NE2-OD2 3.26Å; Q54-D123 PolarHBondContact O-N 3.29Å
55	Y	97.5	Very high	84.8	Confident	26 Å²	26	80.3 Å²	80.3	10%	0.102	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.4	177.9	-52.7	-78.9	0	0	0	110.4	V53 F69 V120 V121 V122 Q145 I146 L149	V53-Y55 HydrophobicContact CG1-CD1 4.31Å; V53-Y55 HydrophobicContact CG1-CE1 3.67Å; V53-Y55 HydrophobicContact CG1-CE2 4.21Å; Y55-F69 WeakPolarHBondContact CB-O 3.46Å; Y55-F69 PolarHBondContact O-N 3.37Å; Y55-V120 HydrophobicContact CD1-CG1 4.01Å; Y55-V120 HydrophobicContact CG-CG1 4.43Å; Y55-V121 WeakPolarHBondContact CA-O 3.39Å; Y55-V122 HydrophobicContact CD1-CG2 4.1Å; Y55-V122 HydrophobicContact CE1-CG1 4.33Å; Y55-V122 HydrophobicContact CE1-CG2 4.03Å; Y55-Q145 PolarHBondContact OH-O 3.25Å; Y55-I146 HydrophobicContact CE1-CG1 4.22Å; Y55-I146 WeakPolarHBondContact OH-CA 3.45Å; Y55-I146 PolarHBondContact OH-N 3.49Å; Y55-L149 HydrophobicContact CD1-CD2 3.56Å; Y55-L149 HydrophobicContact CD2-CD2 3.88Å; Y55-L149 HydrophobicContact CE1-CD2 3.64Å; Y55-L149 HydrophobicContact CE2-CB 4.3Å; Y55-L149 HydrophobicContact CE2-CD2 3.96Å; Y55-L149 HydrophobicContact CG-CD2 3.68Å
56	L	97.3	Very high	86.3	Confident	2 Å²	2	71.9 Å²	71.9	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.5	177.8	-46.4	177.2	0	0	0	109	A34 L36 Q54 A66 Q67 K68 V120 V121	A34-L56 HydrophobicContact CB-CD2 3.75Å; L36-L56 HydrophobicContact CD1-CD1 3.77Å; L36-L56 HydrophobicContact CG-CD1 3.92Å; Q54-L56 HydrophobicContact CG-CD2 4.46Å; L56-A66 HydrophobicContact CB-CB 3.97Å; L56-Q67 CarbonylContact C-O 3.55Å; L56-Q67 WeakPolarHBondContact CA-O 3.35Å; L56-K68 HydrophobicContact CD2-CG 4.39Å; L56-V120 CarbonylContact O-C 3.56Å; L56-V120 WeakPolarHBondContact O-CA 3.4Å; L56-V121 HydrophobicContact CB-CB 4.2Å; L56-V121 PolarHBondContact N-O 3.45Å; L56-V121 PolarHBondContact O-N 3.11Å
57	L	97.9	Very high	87.9	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.9	-177.3	169.4	68.7	0	0	0	111.7	T59 N62 Q67 F69 F81 N118 V119 V120	L57-T59 HydrophobicContact CD1-CG2 3.96Å; L57-T59 HydrophobicContact CG-CG2 4.19Å; L57-N62 PolarHBondContact O-ND2 3.16Å; L57-Q67 HydrophobicContact CB-CG 3.69Å; L57-Q67 HydrophobicContact CD2-CG 4.13Å; L57-Q67 HydrophobicContact CG-CG 4.14Å; L57-Q67 PolarHBondContact N-O 2.75Å; L57-Q67 PolarHBondContact O-N 2.8Å; L57-F69 HydrophobicContact CB-CB 3.69Å; L57-F69 HydrophobicContact CB-CD2 4.12Å; L57-F69 HydrophobicContact CB-CG 3.92Å; L57-F69 HydrophobicContact CD2-CD2 3.64Å; L57-F69 HydrophobicContact CD2-CE2 3.97Å; L57-F69 HydrophobicContact CD2-CG 4.26Å; L57-F69 HydrophobicContact CG-CD2 4.49Å; L57-F81 HydrophobicContact CD1-CD2 4.06Å; L57-F81 HydrophobicContact CD2-CB 3.58Å; L57-F81 HydrophobicContact CD2-CD2 4.01Å; L57-F81 HydrophobicContact CD2-CG 4.31Å; L57-N118 HydrophobicContact CD1-CB 4Å; L57-V119 WeakPolarHBondContact CA-O 3.41Å; L57-V120 HydrophobicContact CD1-CG2 4.18Å
58	L	98.1	Very high	89.6	Confident	9 Å²	9	69.5 Å²	69.5	5%	0.047	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.9	172.3	-70.3	161.8	0	0	0	109.4	N62 A66 A108 L112 V119 V121	L58-N62 WeakPolarHBondContact CD2-O 3.26Å; L58-A66 HydrophobicContact CD1-CB 4.43Å; L58-A66 HydrophobicContact CD2-CB 3.73Å; L58-A66 HydrophobicContact CG-CB 3.85Å; L58-A108 HydrophobicContact CD1-CB 3.47Å; L58-A108 VanDerWaalsContact CD1-CB 3.47Å; L58-L112 HydrophobicContact CB-CD1 4.14Å; L58-V119 HydrophobicContact CB-CB 4.25Å; L58-V119 PolarHBondContact N-O 3.16Å; L58-V119 PolarHBondContact O-N 2.9Å; L58-V121 HydrophobicContact CD1-CG2 4.4Å
59	T	97.8	Very high	91.3	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	29%	0.29	C	S	.	.			trans	-141	171.7	175	75.7	0	0	0	0	108.8	L57 R61 N62 P63	L57-T59 HydrophobicContact CD1-CG2 3.96Å; L57-T59 HydrophobicContact CG-CG2 4.19Å; T59-R61 PolarHBondContact O-N 2.84Å; T59-R61 PolarHBondContact OG1-N 3.02Å; T59-R61 VanDerWaalsContact OG1-N 3.12Å; T59-N62 WeakPolarHBondContact CB-OD1 3.45Å; T59-N62 PolarHBondContact N-OD1 2.65Å; T59-N62 CarbonylContact O-C 3.24Å; T59-N62 VanDerWaalsContact O-C 3.24Å; T59-N62 PolarHBondContact O-N 3.48Å; T59-N62 PolarHBondContact O-OD1 2.86Å; T59-N62 PolarHBondContact OG1-OD1 2.8Å; T59-P63 WeakPolarHBondContact O-CA 3.39Å; T59-P63 VanDerWaalsContact O-N 3.11Å
60	R	96.9	Very high	93.1	Very high	122 Å²	122	58.6 Å²	58.6	46%	0.46	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-17.7	172.5	-69.1	-175.7	175	-177.6	-7.2	114.1	L112 G113 D116	R60-L112 HydrophobicContact CG-CB 4.3Å; R60-L112 HydrophobicContact CG-CD2 4.32Å; R60-L112 PolarHBondContact NE-O 3.35Å; R60-L112 PolarHBondContact NH2-O 2.68Å; R60-G113 PolarHBondContact NH2-O 3.32Å; R60-D116 WeakPolarHBondContact CD-OD1 3.14Å; R60-D116 IonicContact NE-OD1 3.36Å
61	R	95.7	Very high	93.9	Very high	175 Å²	175	49.6 Å²	49.6	66%	0.66	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-21.3	176.3	-64.6	-175.5	175.5	-176.6	-0	113.2	T59 Y80	T59-R61 PolarHBondContact O-N 2.84Å; T59-R61 PolarHBondContact OG1-N 3.02Å; T59-R61 VanDerWaalsContact OG1-N 3.12Å; R61-Y80 HydrophobicContact CB-CD1 3.89Å; R61-Y80 HydrophobicContact CB-CE1 4.14Å; R61-Y80 HydrophobicContact CB-CG 4.17Å; R61-Y80 HydrophobicContact CG-CD1 4.45Å
62	N	95.3	Very high	94.2	Very high	12 Å²	12	52.9 Å²	52.9	6%	0.064	25%	0.252	C	S	.	.	S	Bend	trans	-142.2	53.5	-178	69	-50.4	0	0	0	111.2	L57 L58 T59 D64 C65 Y80	L57-N62 PolarHBondContact O-ND2 3.16Å; L58-N62 WeakPolarHBondContact CD2-O 3.26Å; T59-N62 WeakPolarHBondContact CB-OD1 3.45Å; T59-N62 PolarHBondContact N-OD1 2.65Å; T59-N62 CarbonylContact O-C 3.24Å; T59-N62 VanDerWaalsContact O-C 3.24Å; T59-N62 PolarHBondContact O-N 3.48Å; T59-N62 PolarHBondContact O-OD1 2.86Å; T59-N62 PolarHBondContact OG1-OD1 2.8Å; N62-D64 PolarHBondContact O-N 2.99Å; N62-C65 WeakPolarHBondContact CB-O 2.93Å; N62-C65 PolarHBondContact ND2-O 3.36Å; N62-C65 PolarHBondContact O-N 3.19Å; N62-Y80 HydrophobicContact CB-CD2 3.76Å; N62-Y80 HydrophobicContact CB-CE2 3.78Å; N62-Y80 VanDerWaalsContact CG-CD2 3.45Å; N62-Y80 WeakPolarHBondContact OD1-CD2 3.41Å
63	P	93.4	Very high	94.3	Very high	43 Å²	43	48 Å²	48	28%	0.279	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-23.1	-168.4	28.1	-36	0	0	0	113.8	T59 L112	T59-P63 WeakPolarHBondContact O-CA 3.39Å; T59-P63 VanDerWaalsContact O-N 3.11Å; P63-L112 HydrophobicContact CB-CD1 4.26Å
64	D	91.8	Very high	93.9	Very high	114 Å²	114	48.1 Å²	48.1	61%	0.61	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-0.4	-175.5	-52.2	-42.6	0	0	0	113.1	N62 Q109	N62-D64 PolarHBondContact O-N 2.99Å; D64-Q109 PolarHBondContact OD1-NE2 3.12Å
65	C	94.1	Very high	93.3	Very high	51 Å²	51	50.3 Å²	50.3	35%	0.345	26%	0.263	S	S	.	.	S	Bend	trans	-138.6	89.3	-172.6	-167.6	0	0	0	0	110	C33 N62	C33-C65 WeakPolarHBondContact CA-SG 3.46Å; C33-C65 HydrophobicContact CB-CB 3.98Å; C33-C65 WeakPolarHBondContact CB-SG 3.5Å; C33-C65 WeakPolarHBondContact SG-CA 3.48Å; C33-C65 WeakPolarHBondContact SG-CB 3.39Å; C33-C65 CovalentContact SG-SG 2.03Å; C33-C65 PolarHBondContact SG-SG 3.09Å; N62-C65 WeakPolarHBondContact CB-O 2.93Å; N62-C65 PolarHBondContact ND2-O 3.36Å; N62-C65 PolarHBondContact O-N 3.19Å
66	A	95.6	Very high	92.8	Very high	13 Å²	13	54 Å²	54	11%	0.107	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-65.9	146.8	-177.3	0	0	0	0	0	111.3	A34 L56 L58	A34-A66 WeakPolarHBondContact CB-O 3.38Å; A34-A66 PolarHBondContact N-O 2.73Å; L56-A66 HydrophobicContact CB-CB 3.97Å; L58-A66 HydrophobicContact CD1-CB 4.43Å; L58-A66 HydrophobicContact CD2-CB 3.73Å; L58-A66 HydrophobicContact CG-CB 3.85Å
67	Q	94.7	Very high	92.1	Very high	33 Å²	33	60.5 Å²	60.5	15%	0.154	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	143.5	170	72.9	-165.3	-79.8	0	0	109.2	L56 L57 F69 S79 Y80	L56-Q67 CarbonylContact C-O 3.55Å; L56-Q67 WeakPolarHBondContact CA-O 3.35Å; L57-Q67 HydrophobicContact CB-CG 3.69Å; L57-Q67 HydrophobicContact CD2-CG 4.13Å; L57-Q67 HydrophobicContact CG-CG 4.14Å; L57-Q67 PolarHBondContact N-O 2.75Å; L57-Q67 PolarHBondContact O-N 2.8Å; Q67-F69 PolarHBondContact O-N 2.93Å; Q67-S79 VanDerWaalsContact OE1-CA 3.31Å; Q67-Y80 VanDerWaalsContact NE2-CD2 3.34Å
68	K	95.1	Very high	91.4	Very high	150 Å²	150	66 Å²	66	65%	0.652	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.5	140	165.6	-72.5	-170.7	176.6	-178	0	109	A34 L56	A34-K68 HydrophobicContact CB-CG 3.72Å; L56-K68 HydrophobicContact CD2-CG 4.39Å
69	F	95	Very high	91.1	Very high	10 Å²	10	66.3 Å²	66.3	4%	0.044	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.4	-172.9	-177.3	-107.7	0	0	0	111.9	Y55 L57 Q67 V74 F81 V120 L149 L153	Y55-F69 WeakPolarHBondContact CB-O 3.46Å; Y55-F69 PolarHBondContact O-N 3.37Å; L57-F69 HydrophobicContact CB-CB 3.69Å; L57-F69 HydrophobicContact CB-CD2 4.12Å; L57-F69 HydrophobicContact CB-CG 3.92Å; L57-F69 HydrophobicContact CD2-CD2 3.64Å; L57-F69 HydrophobicContact CD2-CE2 3.97Å; L57-F69 HydrophobicContact CD2-CG 4.26Å; L57-F69 HydrophobicContact CG-CD2 4.49Å; Q67-F69 PolarHBondContact O-N 2.93Å; F69-V74 HydrophobicContact CE2-CG2 4.02Å; F69-V74 HydrophobicContact CZ-CG2 3.91Å; F69-F81 HydrophobicContact CE1-CD2 4.27Å; F69-F81 HydrophobicContact CE1-CE2 4.38Å; F69-F81 HydrophobicContact CE2-CB 3.73Å; F69-F81 AromaticContact CE2-CD2 3.74Å; F69-F81 HydrophobicContact CE2-CD2 3.74Å; F69-F81 AromaticContact CE2-CG 3.78Å; F69-F81 HydrophobicContact CE2-CG 3.78Å; F69-F81 HydrophobicContact CZ-CB 4.3Å; F69-F81 HydrophobicContact CZ-CD1 4.43Å; F69-F81 AromaticContact CZ-CD2 3.49Å; F69-F81 HydrophobicContact CZ-CD2 3.49Å; F69-F81 VanDerWaalsContact CZ-CD2 3.49Å; F69-F81 AromaticContact CZ-CE2 3.85Å; F69-F81 HydrophobicContact CZ-CE2 3.85Å; F69-F81 AromaticContact CZ-CG 3.82Å; F69-F81 HydrophobicContact CZ-CG 3.82Å; F69-F81 HydrophobicContact CZ-CZ 4.46Å; F69-V120 HydrophobicContact CD1-CG1 4.47Å; F69-V120 HydrophobicContact CD1-CG2 4.36Å; F69-V120 HydrophobicContact CE1-CG2 4.36Å; F69-L149 HydrophobicContact CD1-CD2 4.48Å; F69-L149 HydrophobicContact CE1-CD1 4.14Å; F69-L149 HydrophobicContact CE1-CD2 4.36Å; F69-L153 HydrophobicContact CE1-CD1 4.46Å; F69-L153 HydrophobicContact CE1-CD2 4.48Å; F69-L153 HydrophobicContact CZ-CD2 4.07Å
70	D	92.4	Very high	90.9	Very high	71 Å²	71	70.9 Å²	70.9	38%	0.38	38%	0.377	S	S	.	.			trans	-150	175.3	169.6	57.7	29.5	0	0	0	109.2	D72 S73	D70-D72 PolarHBondContact O-N 3.26Å; D70-D72 WeakPolarHBondContact OD1-CA 3.43Å; D70-D72 PolarHBondContact OD1-N 2.96Å; D70-S73 PolarHBondContact N-OG 2.72Å; D70-S73 VanDerWaalsContact O-CB 3.26Å; D70-S73 WeakPolarHBondContact O-CB 3.25Å; D70-S73 PolarHBondContact O-N 3Å; D70-S73 VanDerWaalsContact O-N 3.16Å; D70-S73 WeakPolarHBondContact OD1-CB 3.5Å; D70-S73 PolarHBondContact OD1-N 2.8Å; D70-S73 PolarHBondContact OD1-OG 2.88Å
71	Q	86.9	Confident	90.9	Very high	26 Å²	26	65.9 Å²	65.9	12%	0.121	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-58.3	-28.4	176.7	58.4	160	1.1	0	0	113.8	S73 V74 Q152 K156 H157	Q71-S73 VanDerWaalsContact C-N 3.25Å; Q71-V74 PolarHBondContact O-N 3.07Å; Q71-Q152 HydrophobicContact CB-CB 3.84Å; Q71-Q152 HydrophobicContact CB-CG 4.48Å; Q71-Q152 HydrophobicContact CG-CB 4.41Å; Q71-Q152 VanDerWaalsContact CG-OE1 3.22Å; Q71-K156 VanDerWaalsContact CD-NZ 3.35Å; Q71-H157 PolarHBondContact O-NE2 3.43Å
72	D	88.6	Confident	90.9	Very high	88 Å²	88	60.4 Å²	60.4	47%	0.471	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-84.1	-10.7	-174.2	-61.9	-36.5	0	0	0	110.5	D70 V74 K76	D70-D72 PolarHBondContact O-N 3.26Å; D70-D72 WeakPolarHBondContact OD1-CA 3.43Å; D70-D72 PolarHBondContact OD1-N 2.96Å; D72-V74 VanDerWaalsContact C-N 3.33Å; D72-K76 WeakPolarHBondContact O-CD 3.45Å; D72-K76 WeakPolarHBondContact O-CE 3.38Å; D72-K76 PolarHBondContact O-NZ 3.42Å
73	S	86.4	Confident	90.9	Very high	18 Å²	18	62.6 Å²	62.6	13%	0.126	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-74.3	-24.7	172.9	-58.5	0	0	0	0	111.9	D70 Q71 G75 K76 S79	D70-S73 PolarHBondContact N-OG 2.72Å; D70-S73 VanDerWaalsContact O-CB 3.26Å; D70-S73 WeakPolarHBondContact O-CB 3.25Å; D70-S73 PolarHBondContact O-N 3Å; D70-S73 VanDerWaalsContact O-N 3.16Å; D70-S73 WeakPolarHBondContact OD1-CB 3.5Å; D70-S73 PolarHBondContact OD1-N 2.8Å; D70-S73 PolarHBondContact OD1-OG 2.88Å; Q71-S73 VanDerWaalsContact C-N 3.25Å; S73-G75 PolarHBondContact O-N 3.2Å; S73-K76 PolarHBondContact O-N 2.93Å; S73-S79 WeakPolarHBondContact O-CB 3.38Å; S73-S79 PolarHBondContact O-OG 2.98Å
74	V	87.6	Confident	90.9	Very high	17 Å²	17	65.8 Å²	65.8	10%	0.103	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	131.6	-177.2	-177.2	0	0	0	0	111	F69 Q71 D72 K76 F81 T83 L153 H157	F69-V74 HydrophobicContact CE2-CG2 4.02Å; F69-V74 HydrophobicContact CZ-CG2 3.91Å; Q71-V74 PolarHBondContact O-N 3.07Å; D72-V74 VanDerWaalsContact C-N 3.33Å; V74-K76 VanDerWaalsContact C-N 3.27Å; V74-K76 PolarHBondContact O-N 3.2Å; V74-F81 HydrophobicContact CG1-CD1 4.13Å; V74-F81 HydrophobicContact CG2-CD1 3.9Å; V74-F81 HydrophobicContact CG2-CE1 4.32Å; V74-F81 HydrophobicContact CG2-CG 4.38Å; V74-T83 HydrophobicContact CG1-CG2 3.88Å; V74-L153 HydrophobicContact CG2-CD2 3.67Å; V74-H157 VanDerWaalsContact CB-CE1 3.5Å; V74-H157 WeakPolarHBondContact CB-CE1 3.48Å; V74-H157 WeakPolarHBondContact CB-NE2 3.24Å; V74-H157 HydrophobicContact CG1-CB 4.13Å; V74-H157 WeakPolarHBondContact CG1-ND1 3.4Å
75	G	80.7	Confident	91.2	Very high	77 Å²	77	62.5 Å²	62.5	79%	0.794	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.7	-7.8	-179.8	0	0	0	0	0	115	S73	S73-G75 PolarHBondContact O-N 3.2Å
76	K	87.9	Confident	91.4	Very high	104 Å²	104	61.7 Å²	61.7	45%	0.452	35%	0.353	S	S	.	.			trans	-72.1	141.1	171.3	-69	-178.3	177.9	148.7	0	110.3	D72 S73 V74 T78 S79	D72-K76 WeakPolarHBondContact O-CD 3.45Å; D72-K76 WeakPolarHBondContact O-CE 3.38Å; D72-K76 PolarHBondContact O-NZ 3.42Å; S73-K76 PolarHBondContact O-N 2.93Å; V74-K76 VanDerWaalsContact C-N 3.27Å; V74-K76 PolarHBondContact O-N 3.2Å; K76-T78 PolarHBondContact O-N 2.82Å; K76-T78 VanDerWaalsContact O-N 3.09Å; K76-S79 PolarHBondContact O-N 3.41Å
77	P	81.6	Confident	91.5	Very high	137 Å²	137	61.1 Å²	61.1	89%	0.89	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-25.5	177.2	-25.5	34.1	0	0	0	114.3	S79	P77-S79 VanDerWaalsContact C-N 3.34Å
78	T	84.6	Confident	91.7	Very high	115 Å²	115	60.4 Å²	60.4	71%	0.706	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-12.6	179.9	54.7	0	0	0	0	113.6	K76	K76-T78 PolarHBondContact O-N 2.82Å; K76-T78 VanDerWaalsContact O-N 3.09Å
79	S	90.6	Very high	91.9	Very high	16 Å²	16	53.5 Å²	53.5	11%	0.112	31%	0.314	C	S	.	.			trans	-93.4	138.3	-177.9	179.5	0	0	0	0	111.9	Q67 S73 K76 P77 F81	Q67-S79 VanDerWaalsContact OE1-CA 3.31Å; S73-S79 WeakPolarHBondContact O-CB 3.38Å; S73-S79 PolarHBondContact O-OG 2.98Å; K76-S79 PolarHBondContact O-N 3.41Å; P77-S79 VanDerWaalsContact C-N 3.34Å; S79-F81 PolarHBondContact OG-N 2.93Å
80	Y	94.8	Very high	92.1	Very high	97 Å²	97	53 Å²	53	38%	0.38	31%	0.312	S	S	.	.			trans	-90.5	-1.5	174.4	-59.7	-59	0	0	0	113.5	R61 N62 Q67 N82	R61-Y80 HydrophobicContact CB-CD1 3.89Å; R61-Y80 HydrophobicContact CB-CE1 4.14Å; R61-Y80 HydrophobicContact CB-CG 4.17Å; R61-Y80 HydrophobicContact CG-CD1 4.45Å; N62-Y80 HydrophobicContact CB-CD2 3.76Å; N62-Y80 HydrophobicContact CB-CE2 3.78Å; N62-Y80 VanDerWaalsContact CG-CD2 3.45Å; N62-Y80 WeakPolarHBondContact OD1-CD2 3.41Å; Q67-Y80 VanDerWaalsContact NE2-CD2 3.34Å; Y80-N82 PolarHBondContact O-N 3.23Å
81	F	96.4	Very high	92.4	Very high	17 Å²	17	49.6 Å²	49.6	8%	0.075	29%	0.294	C	S	.	.			trans	-64.8	134.1	-179.2	-168.2	-93.4	0	0	0	111.3	L57 F69 V74 S79 T83 T87 N118 L153	L57-F81 HydrophobicContact CD1-CD2 4.06Å; L57-F81 HydrophobicContact CD2-CB 3.58Å; L57-F81 HydrophobicContact CD2-CD2 4.01Å; L57-F81 HydrophobicContact CD2-CG 4.31Å; F69-F81 HydrophobicContact CE1-CD2 4.27Å; F69-F81 HydrophobicContact CE1-CE2 4.38Å; F69-F81 HydrophobicContact CE2-CB 3.73Å; F69-F81 AromaticContact CE2-CD2 3.74Å; F69-F81 HydrophobicContact CE2-CD2 3.74Å; F69-F81 AromaticContact CE2-CG 3.78Å; F69-F81 HydrophobicContact CE2-CG 3.78Å; F69-F81 HydrophobicContact CZ-CB 4.3Å; F69-F81 HydrophobicContact CZ-CD1 4.43Å; F69-F81 AromaticContact CZ-CD2 3.49Å; F69-F81 HydrophobicContact CZ-CD2 3.49Å; F69-F81 VanDerWaalsContact CZ-CD2 3.49Å; F69-F81 AromaticContact CZ-CE2 3.85Å; F69-F81 HydrophobicContact CZ-CE2 3.85Å; F69-F81 AromaticContact CZ-CG 3.82Å; F69-F81 HydrophobicContact CZ-CG 3.82Å; F69-F81 HydrophobicContact CZ-CZ 4.46Å; V74-F81 HydrophobicContact CG1-CD1 4.13Å; V74-F81 HydrophobicContact CG2-CD1 3.9Å; V74-F81 HydrophobicContact CG2-CE1 4.32Å; V74-F81 HydrophobicContact CG2-CG 4.38Å; S79-F81 PolarHBondContact OG-N 2.93Å; F81-T83 HydrophobicContact CD1-CG2 4.27Å; F81-T83 HydrophobicContact CE1-CG2 3.96Å; F81-T87 HydrophobicContact CE2-CG2 4.39Å; F81-N118 HydrophobicContact CD2-CB 3.89Å; F81-N118 HydrophobicContact CE2-CB 3.72Å; F81-L153 HydrophobicContact CE1-CD2 4.17Å; F81-L153 HydrophobicContact CZ-CD1 4.24Å; F81-L153 HydrophobicContact CZ-CD2 4.11Å
82	N	95.4	Very high	92.9	Very high	59 Å²	59	48.6 Å²	48.6	32%	0.316	29%	0.289	S	S	.	.			trans	-126.3	115.1	177	-174.3	-26.9	0	0	0	110.7	Y80 S84 R85 N118	Y80-N82 PolarHBondContact O-N 3.23Å; N82-S84 PolarHBondContact O-N 2.96Å; N82-S84 WeakPolarHBondContact OD1-CB 3.38Å; N82-S84 PolarHBondContact OD1-N 3.1Å; N82-R85 HydrophobicContact CB-CB 4.46Å; N82-R85 HydrophobicContact CB-CG 4.06Å; N82-R85 PolarHBondContact O-N 2.81Å; N82-R85 VanDerWaalsContact O-N 3.08Å; N82-N118 PolarHBondContact N-OD1 3.26Å; N82-N118 PolarHBondContact O-ND2 3.11Å
83	T	95.2	Very high	93.2	Very high	58 Å²	58	44.7 Å²	44.7	36%	0.356	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.1	-177.6	55.9	0	0	0	0	114	V74 F81 R85 H157	V74-T83 HydrophobicContact CG1-CG2 3.88Å; F81-T83 HydrophobicContact CD1-CG2 4.27Å; F81-T83 HydrophobicContact CE1-CG2 3.96Å; T83-R85 VanDerWaalsContact C-N 3.3Å; T83-H157 HydrophobicContact CG2-CB 3.92Å
84	S	94.6	Very high	93.5	Very high	111 Å²	111	47.1 Å²	47.1	78%	0.776	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-7.9	177.1	-57.2	0	0	0	0	113.1	N82	N82-S84 PolarHBondContact O-N 2.96Å; N82-S84 WeakPolarHBondContact OD1-CB 3.38Å; N82-S84 PolarHBondContact OD1-N 3.1Å
85	R	96.8	Very high	93.6	Very high	45 Å²	45	47.4 Å²	47.4	17%	0.17	28%	0.281	C	S	.	.	S	Bend	trans	-98	149.4	179	-68.7	-176.9	176.6	159.7	-12.8	111.1	N82 T83 D116 N118	N82-R85 HydrophobicContact CB-CB 4.46Å; N82-R85 HydrophobicContact CB-CG 4.06Å; N82-R85 PolarHBondContact O-N 2.81Å; N82-R85 VanDerWaalsContact O-N 3.08Å; T83-R85 VanDerWaalsContact C-N 3.3Å; R85-D116 VanDerWaalsContact CZ-CG 3.41Å; R85-D116 IonicContact CZ-OD1 3.39Å; R85-D116 IonicContact CZ-OD2 3.67Å; R85-D116 IonicContact NE-OD1 3.42Å; R85-D116 PolarHBondContact NE-OD1 3.34Å; R85-D116 IonicContact NE-OD2 3.9Å; R85-D116 PolarHBondContact NE-OD2 3.31Å; R85-D116 IonicContact NH1-OD1 2.84Å; R85-D116 VanDerWaalsContact NH2-CG 3.29Å; R85-D116 IonicContact NH2-OD1 3.14Å; R85-D116 PolarHBondContact NH2-OD1 3.03Å; R85-D116 VanDerWaalsContact NH2-OD1 3.07Å; R85-D116 IonicContact NH2-OD2 2.7Å; R85-D116 PolarHBondContact NH2-OD2 3.31Å; R85-N118 PolarHBondContact O-ND2 3.47Å
86	P	97.7	Very high	93.8	Very high	34 Å²	34	46 Å²	46	22%	0.221	26%	0.263	C	S	.	.			trans	-61.2	149.9	170.2	27.7	-34.3	0	0	0	110.6	Q115 A117 N118 S163	P86-Q115 HydrophobicContact CG-CG 4.34Å; P86-A117 HydrophobicContact CG-CB 4.12Å; P86-A117 WeakPolarHBondContact O-CA 3.34Å; P86-A117 WeakPolarHBondContact O-CB 3.41Å; P86-N118 PolarHBondContact O-N 3.36Å; P86-S163 WeakPolarHBondContact CA-O 3.29Å
87	T	98.6	Very high	93.6	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.6	-180	-60.2	0	0	0	0	110.1	F81 V89 N118 V120 S163 F164 H165	F81-T87 HydrophobicContact CE2-CG2 4.39Å; T87-V89 HydrophobicContact CG2-CG2 4.15Å; T87-N118 CarbonylContact C-O 3.57Å; T87-N118 WeakPolarHBondContact CA-O 3.45Å; T87-N118 HydrophobicContact CG2-CB 4.31Å; T87-N118 PolarHBondContact OG1-ND2 3.01Å; T87-V120 HydrophobicContact CG2-CG2 3.91Å; T87-S163 PolarHBondContact N-O 3.45Å; T87-F164 HydrophobicContact CG2-CD1 4.02Å; T87-F164 HydrophobicContact CG2-CE1 3.87Å; T87-F164 WeakPolarHBondContact O-CA 3.45Å; T87-H165 PolarHBondContact O-N 3.38Å
88	K	98.8	Very high	93.7	Very high	17 Å²	17	39.7 Å²	39.7	7%	0.074	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.6	173.5	-50.8	-54.9	-171.9	179.3	0	108.3	L111 A117 N118 V119 V120 H165	K88-L111 HydrophobicContact CB-CD1 4.16Å; K88-L111 HydrophobicContact CG-CD2 4.45Å; K88-A117 HydrophobicContact CG-CB 4.07Å; K88-N118 PolarHBondContact N-O 3.4Å; K88-V119 HydrophobicContact CB-CG2 4.27Å; K88-V119 CarbonylContact O-C 3.39Å; K88-V119 WeakPolarHBondContact O-CA 3.42Å; K88-V120 PolarHBondContact O-N 3.03Å; K88-H165 CarbonylContact C-O 3.6Å; K88-H165 WeakPolarHBondContact CA-O 3.45Å; K88-H165 HydrophobicContact CD-CB 3.61Å; K88-H165 PolarHBondContact NZ-ND1 3.31Å
89	V	98.9	Very high	93.8	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.03	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	112.8	-179.7	-173.4	0	0	0	0	108.7	T87 I91 V120 V122 F164 H165 L166 I167	T87-V89 HydrophobicContact CG2-CG2 4.15Å; V89-I91 HydrophobicContact CG1-CD1 4.37Å; V89-I91 HydrophobicContact CG1-CG1 4.05Å; V89-V120 CarbonylContact C-O 3.6Å; V89-V120 VanDerWaalsContact CA-O 3.24Å; V89-V120 WeakPolarHBondContact CA-O 3.38Å; V89-V122 HydrophobicContact CG1-CG2 3.43Å; V89-V122 VanDerWaalsContact CG1-CG2 3.43Å; V89-F164 HydrophobicContact CG2-CD1 4.26Å; V89-H165 PolarHBondContact N-O 3.32Å; V89-L166 HydrophobicContact CB-CD2 3.54Å; V89-L166 HydrophobicContact CG1-CD2 4.08Å; V89-L166 HydrophobicContact CG2-CD2 3.66Å; V89-I167 PolarHBondContact O-N 2.89Å
90	I	98.9	Very high	93.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124.1	178.1	-61.7	172	0	0	0	108.5	W103 V104 L107 A108 L111 V119 V120 V121 V122	I90-W103 HydrophobicContact CG2-CH2 4.18Å; I90-W103 HydrophobicContact CG2-CZ3 3.82Å; I90-V104 HydrophobicContact CG2-CG2 4.49Å; I90-L107 HydrophobicContact CD1-CB 4.33Å; I90-L107 HydrophobicContact CD1-CD2 3.93Å; I90-L107 HydrophobicContact CD1-CG 3.92Å; I90-L107 HydrophobicContact CG1-CD2 4.01Å; I90-L107 HydrophobicContact CG1-CG 4.43Å; I90-L107 HydrophobicContact CG2-CD2 3.97Å; I90-A108 HydrophobicContact CD1-CB 3.94Å; I90-L111 HydrophobicContact CD1-CD1 3.96Å; I90-L111 HydrophobicContact CG1-CD1 4.07Å; I90-V119 HydrophobicContact CD1-CG1 3.61Å; I90-V119 HydrophobicContact CG1-CG1 4.14Å; I90-V120 PolarHBondContact N-O 3.35Å; I90-V121 HydrophobicContact CB-CG2 4.46Å; I90-V121 HydrophobicContact CD1-CG2 4.3Å; I90-V122 PolarHBondContact O-N 3.06Å
91	I	98.8	Very high	93.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	107.6	-179.3	-52.1	164.9	0	0	0	108.3	V89 V122 I146 L166 I167 G168 V169 V175 A176	V89-I91 HydrophobicContact CG1-CD1 4.37Å; V89-I91 HydrophobicContact CG1-CG1 4.05Å; I91-V122 HydrophobicContact CG1-CB 4.23Å; I91-V122 HydrophobicContact CG1-CG2 3.94Å; I91-I146 HydrophobicContact CD1-CD1 3.89Å; I91-I146 HydrophobicContact CG1-CD1 4.2Å; I91-L166 HydrophobicContact CD1-CB 4.41Å; I91-I167 PolarHBondContact N-O 3.39Å; I91-G168 WeakPolarHBondContact O-CA 3.5Å; I91-V169 PolarHBondContact O-N 3.38Å; I91-V175 HydrophobicContact CD1-CG1 4.33Å; I91-V175 HydrophobicContact CG2-CB 3.95Å; I91-V175 HydrophobicContact CG2-CG1 3.87Å; I91-V175 HydrophobicContact CG2-CG2 4.46Å; I91-A176 HydrophobicContact CD1-CB 3.9Å
92	H	97.8	Very high	93.2	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.019	26%	0.255	C	S	.	.			trans	-71.9	167.1	177	71.3	75.8	0	0	0	111.8	P101 W103 V122 D123 W124 G172	H92-P101 HydrophobicContact CB-CG 4.03Å; H92-W103 HydrophobicContact CB-CH2 3.77Å; H92-W103 HydrophobicContact CB-CZ2 3.67Å; H92-V122 PolarHBondContact CD2-O 3.31Å; H92-D123 IonicContact NE2-OD1 3.69Å; H92-W124 AromaticContact CD2-CD1 3.79Å; H92-W124 AromaticContact CD2-NE1 3.93Å; H92-W124 AromaticContact CE1-CD1 3.35Å; H92-W124 AromaticContact CE1-CE2 3.81Å; H92-W124 AromaticContact CE1-CG 3.79Å; H92-W124 AromaticContact CE1-NE1 3.33Å; H92-W124 PolarHBondContact CE1-NE1 3.33Å; H92-W124 VanDerWaalsContact CE1-NE1 3.33Å; H92-W124 AromaticContact CG-NE1 3.82Å; H92-W124 AromaticContact ND1-CD1 3.92Å; H92-W124 AromaticContact ND1-CE2 3.99Å; H92-W124 AromaticContact ND1-NE1 3.46Å; H92-W124 PolarHBondContact ND1-NE1 2.9Å; H92-W124 AromaticContact NE2-CD1 3.25Å; H92-W124 VanDerWaalsContact NE2-CD1 3.25Å; H92-W124 AromaticContact NE2-CG 3.88Å; H92-W124 PolarHBondContact NE2-N 2.85Å; H92-W124 VanDerWaalsContact NE2-N 3.13Å; H92-W124 AromaticContact NE2-NE1 3.64Å; H92-W124 VanDerWaalsContact O-CZ2 3.26Å; H92-W124 WeakPolarHBondContact O-CZ2 3.33Å; H92-W124 PolarHBondContact O-NE1 3.43Å; H92-G172 WeakPolarHBondContact O-CA 3.47Å
93	G	95.3	Very high	93.1	Very high	7 Å²	7	44.8 Å²	44.8	7%	0.072	25%	0.246	C	C	.	.			trans	-104	-155.5	179.2	0	0	0	0	0	114.1	V169	G93-V169 VanDerWaalsContact CA-O 3.26Å; G93-V169 WeakPolarHBondContact CA-O 3.48Å; G93-V169 PolarHBondContact N-O 3.5Å
94	F	93.6	Very high	93.2	Very high	68 Å²	68	42.1 Å²	42.1	30%	0.298	23%	0.229	S	C	.	.			trans	-61.1	139.1	179	172.3	-108.2	0	0	0	112.9	A96 A128 F130 Y132 V135 L171	F94-A96 HydrophobicContact CE1-CB 3.75Å; F94-A96 HydrophobicContact CZ-CB 3.71Å; F94-A128 WeakPolarHBondContact CD2-O 3.35Å; F94-F130 WeakPolarHBondContact CE2-O 3.24Å; F94-F130 WeakPolarHBondContact CZ-O 3.46Å; F94-Y132 HydrophobicContact CB-CD2 4.26Å; F94-Y132 HydrophobicContact CB-CE2 4.43Å; F94-Y132 HydrophobicContact CD1-CD2 4.16Å; F94-Y132 AromaticContact CD2-CD2 3.93Å; F94-Y132 HydrophobicContact CD2-CD2 3.93Å; F94-Y132 HydrophobicContact CE2-CD2 4.3Å; F94-Y132 AromaticContact CG-CD2 3.86Å; F94-Y132 HydrophobicContact CG-CD2 3.86Å; F94-V135 HydrophobicContact CD2-CG2 3.66Å; F94-V135 HydrophobicContact CE2-CG2 3.7Å; F94-L171 HydrophobicContact CB-CD2 4.48Å
95	S	89.8	Confident	93.1	Very high	23 Å²	23	39.8 Å²	39.8	16%	0.161	21%	0.211	C	C	.	.			trans	-135.8	93.8	176.4	-175.7	0	0	0	0	111	L97 G98 R99 A128 S129	S95-L97 PolarHBondContact O-N 3.49Å; S95-G98 PolarHBondContact O-N 2.9Å; S95-R99 PolarHBondContact OG-N 2.81Å; S95-R99 PolarHBondContact OG-O 3.01Å; S95-R99 VanDerWaalsContact OG-O 3.12Å; S95-A128 PolarHBondContact N-O 3.41Å; S95-S129 WeakPolarHBondContact O-CA 3.39Å; S95-S129 WeakPolarHBondContact O-CB 3.48Å; S95-S129 PolarHBondContact O-OG 3.44Å; S95-S129 VanDerWaalsContact O-OG 3.06Å
96	A	83	Confident	93.1	Very high	49 Å²	49	41.5 Å²	41.5	41%	0.405	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-32.1	-176.1	0	0	0	0	0	114.4	F94	F94-A96 HydrophobicContact CE1-CB 3.75Å; F94-A96 HydrophobicContact CZ-CB 3.71Å
97	L	84.6	Confident	93.1	Very high	105 Å²	105	39.9 Å²	39.9	55%	0.55	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99	1.1	-176.5	-61.9	-178	0	0	0	114	S95 R99	S95-L97 PolarHBondContact O-N 3.49Å; L97-R99 HydrophobicContact CB-CG 4.06Å; L97-R99 PolarHBondContact O-N 2.86Å
98	G	82.9	Confident	93.1	Very high	2 Å²	2	39.9 Å²	39.9	2%	0.021	21%	0.212	C	C	.	.			trans	67.2	21.1	-179.6	0	0	0	0	0	114.7	N38 T39 S95 S129	N38-G98 WeakPolarHBondContact CA-O 3.37Å; T39-G98 VanDerWaalsContact CG2-CA 3.46Å; T39-G98 PolarHBondContact N-O 3.35Å; S95-G98 PolarHBondContact O-N 2.9Å; G98-S129 WeakPolarHBondContact CA-OG 3.41Å
99	R	86.9	Confident	93	Very high	169 Å²	169	42.4 Å²	42.4	64%	0.638	23%	0.225	S	C	*	.	P	Polyproline II helix	trans	-89	138.9	-179.5	-64.5	-177.5	-174.5	174.6	1.1	110.1	N38 S95 L97 I125	N38-R99 WeakPolarHBondContact OD1-CA 2.99Å; S95-R99 PolarHBondContact OG-N 2.81Å; S95-R99 PolarHBondContact OG-O 3.01Å; S95-R99 VanDerWaalsContact OG-O 3.12Å; L97-R99 HydrophobicContact CB-CG 4.06Å; L97-R99 PolarHBondContact O-N 2.86Å; R99-I125 WeakPolarHBondContact O-CD1 3.43Å
100	K	87.6	Confident	93	Very high	83 Å²	83	43.4 Å²	43.4	36%	0.361	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-56.6	128.3	171.9	65.5	179	179.1	177	0	109.6	E35 L36 N38 S102	E35-K100 IonicContact OE1-NZ 3.69Å; E35-K100 IonicContact OE2-NZ 3.79Å; E35-K100 PolarHBondContact OE2-NZ 3Å; L36-K100 HydrophobicContact CB-CB 3.89Å; N38-K100 PolarHBondContact OD1-N 2.83Å; K100-S102 PolarHBondContact O-N 3.3Å
101	P	90.2	Very high	93	Very high	23 Å²	23	43.5 Å²	43.5	15%	0.149	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-65.6	117.1	177.4	24	-33.1	0	0	0	110.5	L36 H92 W103 V104	L36-P101 HydrophobicContact CD2-CG 3.87Å; H92-P101 HydrophobicContact CB-CG 4.03Å; P101-W103 HydrophobicContact CB-CD2 4.22Å; P101-W103 HydrophobicContact CB-CG 4.38Å; P101-W103 HydrophobicContact CB-CZ2 3.92Å; P101-W103 VanDerWaalsContact CB-NE1 3.33Å; P101-W103 HydrophobicContact CG-CZ2 4.38Å; P101-W103 PolarHBondContact O-N 3.42Å; P101-V104 HydrophobicContact CB-CG2 3.97Å; P101-V104 HydrophobicContact CG-CG2 3.51Å; P101-V104 PolarHBondContact O-N 3.19Å
102	S	91.6	Very high	92.9	Very high	105 Å²	105	43.8 Å²	43.8	73%	0.734	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.7	-177.4	56.2	0	0	0	0	113.6	K100 V104	K100-S102 PolarHBondContact O-N 3.3Å; S102-V104 VanDerWaalsContact C-N 3.34Å; S102-V104 PolarHBondContact O-N 3.43Å
103	W	94.6	Very high	92.9	Very high	31 Å²	31	46.6 Å²	46.6	12%	0.117	27%	0.265	C	S	.	.	H	α-helix	trans	-77.7	-14.1	-175.4	57.6	-105.1	0	0	0	114.5	I90 H92 P101 T105 D106 L107 V169 M266 L269	I90-W103 HydrophobicContact CG2-CH2 4.18Å; I90-W103 HydrophobicContact CG2-CZ3 3.82Å; H92-W103 HydrophobicContact CB-CH2 3.77Å; H92-W103 HydrophobicContact CB-CZ2 3.67Å; P101-W103 HydrophobicContact CB-CD2 4.22Å; P101-W103 HydrophobicContact CB-CG 4.38Å; P101-W103 HydrophobicContact CB-CZ2 3.92Å; P101-W103 VanDerWaalsContact CB-NE1 3.33Å; P101-W103 HydrophobicContact CG-CZ2 4.38Å; P101-W103 PolarHBondContact O-N 3.42Å; W103-T105 PolarHBondContact O-N 3.44Å; W103-D106 PolarHBondContact O-N 3.45Å; W103-L107 HydrophobicContact CE3-CB 4.36Å; W103-L107 HydrophobicContact CE3-CD2 4.35Å; W103-L107 HydrophobicContact CZ3-CD2 3.94Å; W103-L107 PolarHBondContact O-N 3.27Å; W103-V169 HydrophobicContact CH2-CB 4.08Å; W103-V169 HydrophobicContact CH2-CG2 3.58Å; W103-V169 HydrophobicContact CZ2-CB 4.15Å; W103-V169 HydrophobicContact CZ2-CG1 4.35Å; W103-V169 HydrophobicContact CZ2-CG2 4.04Å; W103-V169 HydrophobicContact CZ3-CG2 4Å; W103-M266 VanDerWaalsContact CD1-CE 3.48Å; W103-M266 HydrophobicContact CG-CE 4.11Å; W103-L269 HydrophobicContact CB-CD2 3.57Å; W103-L269 HydrophobicContact CD2-CD2 3.34Å; W103-L269 HydrophobicContact CE3-CD1 4.03Å; W103-L269 HydrophobicContact CE3-CD2 3.58Å; W103-L269 HydrophobicContact CE3-CG 4.48Å; W103-L269 HydrophobicContact CG-CD2 3.33Å; W103-L269 HydrophobicContact CZ3-CD1 4.38Å; W103-L269 HydrophobicContact CZ3-CD2 4.43Å
104	V	95.6	Very high	92.9	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.012	28%	0.28	C	S	.	.	H	α-helix	trans	-62.8	-42.8	-173.6	163.8	0	0	0	0	111.7	L36 I90 P101 S102 L107 A108 V121	L36-V104 HydrophobicContact CD1-CG1 4.1Å; L36-V104 HydrophobicContact CD2-CG1 4.44Å; L36-V104 HydrophobicContact CD2-CG2 4.31Å; I90-V104 HydrophobicContact CG2-CG2 4.49Å; P101-V104 HydrophobicContact CB-CG2 3.97Å; P101-V104 HydrophobicContact CG-CG2 3.51Å; P101-V104 PolarHBondContact O-N 3.19Å; S102-V104 VanDerWaalsContact C-N 3.34Å; S102-V104 PolarHBondContact O-N 3.43Å; V104-L107 PolarHBondContact O-N 2.96Å; V104-A108 WeakPolarHBondContact O-CB 3.41Å; V104-A108 PolarHBondContact O-N 2.89Å; V104-V121 HydrophobicContact CG1-CB 4.24Å; V104-V121 HydrophobicContact CG1-CG1 3.55Å; V104-V121 HydrophobicContact CG1-CG2 3.61Å
105	T	94.3	Very high	93.1	Very high	63 Å²	63	48.4 Å²	48.4	39%	0.387	28%	0.281	S	S	.	.	H	α-helix	trans	-62	-46.5	177.7	-55.7	0	0	0	0	110.8	W103 L107 A108 Q109	W103-T105 PolarHBondContact O-N 3.44Å; T105-L107 VanDerWaalsContact C-N 3.35Å; T105-L107 PolarHBondContact O-N 2.79Å; T105-A108 PolarHBondContact O-N 3.48Å; T105-Q109 HydrophobicContact CG2-CG 4.49Å; T105-Q109 WeakPolarHBondContact O-CG 3.44Å; T105-Q109 PolarHBondContact O-N 3.23Å
106	D	96.4	Very high	93.5	Very high	81 Å²	81	50 Å²	50	43%	0.433	29%	0.287	S	S	.	.	H	α-helix	trans	-63.8	-40.4	-179	-54.8	-25	0	0	0	111.5	W103 Q109 A110 M273	W103-D106 PolarHBondContact O-N 3.45Å; D106-Q109 PolarHBondContact O-N 2.95Å; D106-A110 WeakPolarHBondContact O-CB 3.45Å; D106-A110 PolarHBondContact O-N 3.31Å; D106-M273 HydrophobicContact CB-CE 3.31Å; D106-M273 HydrophobicContact CB-SD 4.49Å
107	L	97.9	Very high	94.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-43.3	174.7	177.2	62.3	0	0	0	111.5	I90 W103 V104 T105 A110 L111 I167 L269 Y272 M273 L276	I90-L107 HydrophobicContact CD1-CB 4.33Å; I90-L107 HydrophobicContact CD1-CD2 3.93Å; I90-L107 HydrophobicContact CD1-CG 3.92Å; I90-L107 HydrophobicContact CG1-CD2 4.01Å; I90-L107 HydrophobicContact CG1-CG 4.43Å; I90-L107 HydrophobicContact CG2-CD2 3.97Å; W103-L107 HydrophobicContact CE3-CB 4.36Å; W103-L107 HydrophobicContact CE3-CD2 4.35Å; W103-L107 HydrophobicContact CZ3-CD2 3.94Å; W103-L107 PolarHBondContact O-N 3.27Å; V104-L107 PolarHBondContact O-N 2.96Å; T105-L107 VanDerWaalsContact C-N 3.35Å; T105-L107 PolarHBondContact O-N 2.79Å; L107-A110 PolarHBondContact O-N 3.27Å; L107-L111 HydrophobicContact CD1-CD1 4.29Å; L107-L111 HydrophobicContact CD1-CG 4.29Å; L107-L111 HydrophobicContact CG-CD1 4.11Å; L107-L111 WeakPolarHBondContact O-CG 3.5Å; L107-L111 PolarHBondContact O-N 2.88Å; L107-I167 HydrophobicContact CD2-CG2 4.34Å; L107-L269 HydrophobicContact CB-CD1 4.39Å; L107-L269 HydrophobicContact CD1-CD1 4.26Å; L107-L269 HydrophobicContact CD2-CD1 3.85Å; L107-L269 HydrophobicContact CG-CD1 4.38Å; L107-Y272 HydrophobicContact CD1-CD1 3.87Å; L107-Y272 HydrophobicContact CD1-CE1 4.1Å; L107-M273 HydrophobicContact CB-CG 4.27Å; L107-M273 HydrophobicContact CB-SD 4.16Å; L107-M273 HydrophobicContact CD1-CG 3.68Å; L107-L276 HydrophobicContact CD1-CD1 4.13Å
108	A	98	Very high	94.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.3	-45.1	177.8	0	0	0	0	0	111.5	L58 I90 V104 T105 L111 L112 V119	L58-A108 HydrophobicContact CD1-CB 3.47Å; L58-A108 VanDerWaalsContact CD1-CB 3.47Å; I90-A108 HydrophobicContact CD1-CB 3.94Å; V104-A108 WeakPolarHBondContact O-CB 3.41Å; V104-A108 PolarHBondContact O-N 2.89Å; T105-A108 PolarHBondContact O-N 3.48Å; A108-L111 PolarHBondContact O-N 2.95Å; A108-L112 VanDerWaalsContact O-CG 3.29Å; A108-L112 WeakPolarHBondContact O-CG 3.37Å; A108-L112 PolarHBondContact O-N 3.06Å; A108-V119 HydrophobicContact CB-CG1 3.77Å
109	Q	97.3	Very high	95.6	Very high	71 Å²	71	42.5 Å²	42.5	33%	0.332	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-44.3	174.9	-72.9	172.4	-11.9	0	0	111.9	D64 T105 D106 L111 L112 G113	D64-Q109 PolarHBondContact OD1-NE2 3.12Å; T105-Q109 HydrophobicContact CG2-CG 4.49Å; T105-Q109 WeakPolarHBondContact O-CG 3.44Å; T105-Q109 PolarHBondContact O-N 3.23Å; D106-Q109 PolarHBondContact O-N 2.95Å; Q109-L111 VanDerWaalsContact C-N 3.32Å; Q109-L111 PolarHBondContact O-N 2.88Å; Q109-L112 PolarHBondContact O-N 3.04Å; Q109-G113 PolarHBondContact O-N 3.25Å
110	A	97.6	Very high	96.1	Very high	26 Å²	26	34.6 Å²	34.6	22%	0.215	21%	0.211	C	C	.	.	H	α-helix	trans	-60.1	-41.8	177.1	0	0	0	0	0	111.8	D106 L107 G113 A114 L276	D106-A110 WeakPolarHBondContact O-CB 3.45Å; D106-A110 PolarHBondContact O-N 3.31Å; L107-A110 PolarHBondContact O-N 3.27Å; A110-G113 PolarHBondContact O-N 3.35Å; A110-A114 WeakPolarHBondContact O-CB 3.48Å; A110-A114 PolarHBondContact O-N 2.94Å; A110-L276 HydrophobicContact CB-CB 4.33Å; A110-L276 HydrophobicContact CB-CD1 3.79Å
111	L	98.5	Very high	96.7	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-63.9	-44	175.1	-72.9	166.7	0	0	0	112.2	K88 I90 L107 A108 Q109 G113 A114 Q115 V119 I167 Y272 L276 L313	K88-L111 HydrophobicContact CB-CD1 4.16Å; K88-L111 HydrophobicContact CG-CD2 4.45Å; I90-L111 HydrophobicContact CD1-CD1 3.96Å; I90-L111 HydrophobicContact CG1-CD1 4.07Å; L107-L111 HydrophobicContact CD1-CD1 4.29Å; L107-L111 HydrophobicContact CD1-CG 4.29Å; L107-L111 HydrophobicContact CG-CD1 4.11Å; L107-L111 WeakPolarHBondContact O-CG 3.5Å; L107-L111 PolarHBondContact O-N 2.88Å; A108-L111 PolarHBondContact O-N 2.95Å; Q109-L111 VanDerWaalsContact C-N 3.32Å; Q109-L111 PolarHBondContact O-N 2.88Å; L111-G113 VanDerWaalsContact C-N 3.33Å; L111-A114 PolarHBondContact O-N 3.4Å; L111-Q115 PolarHBondContact O-N 2.84Å; L111-V119 HydrophobicContact CB-CG2 4.07Å; L111-V119 HydrophobicContact CD1-CG2 4.48Å; L111-I167 HydrophobicContact CD1-CD1 3.71Å; L111-I167 HydrophobicContact CD2-CD1 3.81Å; L111-I167 HydrophobicContact CG-CD1 4.4Å; L111-Y272 HydrophobicContact CD2-CE1 4.4Å; L111-L276 HydrophobicContact CD2-CD1 3.72Å; L111-L276 HydrophobicContact CD2-CD2 4.19Å; L111-L276 HydrophobicContact CG-CD1 3.89Å; L111-L313 HydrophobicContact CD2-CD1 4.47Å; L111-L313 HydrophobicContact CD2-CD2 4.11Å
112	L	98.1	Very high	97	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.031	19%	0.187	C	C	.	.	H	α-helix	trans	-67.6	-33.2	177.9	-69.4	173.4	0	0	0	112.5	L58 R60 P63 A108 Q109 A117 V119	L58-L112 HydrophobicContact CB-CD1 4.14Å; R60-L112 HydrophobicContact CG-CB 4.3Å; R60-L112 HydrophobicContact CG-CD2 4.32Å; R60-L112 PolarHBondContact NE-O 3.35Å; R60-L112 PolarHBondContact NH2-O 2.68Å; P63-L112 HydrophobicContact CB-CD1 4.26Å; A108-L112 VanDerWaalsContact O-CG 3.29Å; A108-L112 WeakPolarHBondContact O-CG 3.37Å; A108-L112 PolarHBondContact O-N 3.06Å; Q109-L112 PolarHBondContact O-N 3.04Å; L112-A117 WeakPolarHBondContact CD2-O 3.4Å; L112-V119 HydrophobicContact CD2-CG2 3.72Å; L112-V119 HydrophobicContact CG-CG2 3.81Å
113	G	97	Very high	97.3	Very high	63 Å²	63	24.7 Å²	24.7	65%	0.649	15%	0.153	S	C	*	.	H	α-helix	trans	-62.6	-45.9	170.8	0	0	0	0	0	111.4	R60 Q109 A110 L111	R60-G113 PolarHBondContact NH2-O 3.32Å; Q109-G113 PolarHBondContact O-N 3.25Å; A110-G113 PolarHBondContact O-N 3.35Å; L111-G113 VanDerWaalsContact C-N 3.33Å
114	A	96.4	Very high	97.3	Very high	45 Å²	45	23.2 Å²	23.2	37%	0.372	15%	0.147	S	C	.	.	H	α-helix	trans	-75.3	-32.5	-177.3	0	0	0	0	0	114.4	A110 L111 L276 L313	A110-A114 WeakPolarHBondContact O-CB 3.48Å; A110-A114 PolarHBondContact O-N 2.94Å; L111-A114 PolarHBondContact O-N 3.4Å; A114-L276 HydrophobicContact CB-CB 4.2Å; A114-L276 HydrophobicContact CB-CD2 4.37Å; A114-L313 HydrophobicContact CB-CD1 3.71Å
115	Q	96.4	Very high	97.1	Very high	69 Å²	69	23.1 Å²	23.1	32%	0.322	15%	0.147	S	C	.	.	S	Bend	trans	-148.4	143.7	-177.2	-171.3	172.1	36.5	0	0	112.4	P86 L111 A117 L313	P86-Q115 HydrophobicContact CG-CG 4.34Å; L111-Q115 PolarHBondContact O-N 2.84Å; Q115-A117 PolarHBondContact O-N 3.08Å; Q115-A117 VanDerWaalsContact O-N 3.1Å; Q115-L313 HydrophobicContact CB-CD1 3.97Å
116	D	97.5	Very high	96.7	Very high	55 Å²	55	22.3 Å²	22.3	29%	0.294	14%	0.137	S	C	.	.			trans	-74.8	97.5	169.9	-168.4	23.2	0	0	0	109.7	R60 R85	R60-D116 WeakPolarHBondContact CD-OD1 3.14Å; R60-D116 IonicContact NE-OD1 3.36Å; R85-D116 VanDerWaalsContact CZ-CG 3.41Å; R85-D116 IonicContact CZ-OD1 3.39Å; R85-D116 IonicContact CZ-OD2 3.67Å; R85-D116 IonicContact NE-OD1 3.42Å; R85-D116 PolarHBondContact NE-OD1 3.34Å; R85-D116 IonicContact NE-OD2 3.9Å; R85-D116 PolarHBondContact NE-OD2 3.31Å; R85-D116 IonicContact NH1-OD1 2.84Å; R85-D116 VanDerWaalsContact NH2-CG 3.29Å; R85-D116 IonicContact NH2-OD1 3.14Å; R85-D116 PolarHBondContact NH2-OD1 3.03Å; R85-D116 VanDerWaalsContact NH2-OD1 3.07Å; R85-D116 IonicContact NH2-OD2 2.7Å; R85-D116 PolarHBondContact NH2-OD2 3.31Å
117	A	98.1	Very high	96.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.117	C	C	.	.			trans	-137.6	165.6	-170.7	0	0	0	0	0	111.9	P86 K88 L112 Q115	P86-A117 HydrophobicContact CG-CB 4.12Å; P86-A117 WeakPolarHBondContact O-CA 3.34Å; P86-A117 WeakPolarHBondContact O-CB 3.41Å; K88-A117 HydrophobicContact CG-CB 4.07Å; L112-A117 WeakPolarHBondContact CD2-O 3.4Å; Q115-A117 PolarHBondContact O-N 3.08Å; Q115-A117 VanDerWaalsContact O-N 3.1Å
118	N	98.5	Very high	96	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	127.7	158.4	-49.2	-60.2	0	0	0	107.6	L57 F81 N82 R85 P86 T87 K88	L57-N118 HydrophobicContact CD1-CB 4Å; F81-N118 HydrophobicContact CD2-CB 3.89Å; F81-N118 HydrophobicContact CE2-CB 3.72Å; N82-N118 PolarHBondContact N-OD1 3.26Å; N82-N118 PolarHBondContact O-ND2 3.11Å; R85-N118 PolarHBondContact O-ND2 3.47Å; P86-N118 PolarHBondContact O-N 3.36Å; T87-N118 CarbonylContact C-O 3.57Å; T87-N118 WeakPolarHBondContact CA-O 3.45Å; T87-N118 HydrophobicContact CG2-CB 4.31Å; T87-N118 PolarHBondContact OG1-ND2 3.01Å; K88-N118 PolarHBondContact N-O 3.4Å
119	V	98.8	Very high	95.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.9	171	178.2	0	0	0	0	108.6	L57 L58 K88 I90 A108 L111 L112	L57-V119 WeakPolarHBondContact CA-O 3.41Å; L58-V119 HydrophobicContact CB-CB 4.25Å; L58-V119 PolarHBondContact N-O 3.16Å; L58-V119 PolarHBondContact O-N 2.9Å; K88-V119 HydrophobicContact CB-CG2 4.27Å; K88-V119 CarbonylContact O-C 3.39Å; K88-V119 WeakPolarHBondContact O-CA 3.42Å; I90-V119 HydrophobicContact CD1-CG1 3.61Å; I90-V119 HydrophobicContact CG1-CG1 4.14Å; A108-V119 HydrophobicContact CB-CG1 3.77Å; L111-V119 HydrophobicContact CB-CG2 4.07Å; L111-V119 HydrophobicContact CD1-CG2 4.48Å; L112-V119 HydrophobicContact CD2-CG2 3.72Å; L112-V119 HydrophobicContact CG-CG2 3.81Å
120	V	98.6	Very high	94.9	Very high	3 Å²	3	17 Å²	17	2%	0.018	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	113.6	177.5	179.9	0	0	0	0	108.5	Y55 L56 L57 F69 T87 K88 V89 I90 L149	Y55-V120 HydrophobicContact CD1-CG1 4.01Å; Y55-V120 HydrophobicContact CG-CG1 4.43Å; L56-V120 CarbonylContact O-C 3.56Å; L56-V120 WeakPolarHBondContact O-CA 3.4Å; L57-V120 HydrophobicContact CD1-CG2 4.18Å; F69-V120 HydrophobicContact CD1-CG1 4.47Å; F69-V120 HydrophobicContact CD1-CG2 4.36Å; F69-V120 HydrophobicContact CE1-CG2 4.36Å; T87-V120 HydrophobicContact CG2-CG2 3.91Å; K88-V120 PolarHBondContact O-N 3.03Å; V89-V120 CarbonylContact C-O 3.6Å; V89-V120 VanDerWaalsContact CA-O 3.24Å; V89-V120 WeakPolarHBondContact CA-O 3.38Å; I90-V120 PolarHBondContact N-O 3.35Å; V120-L149 HydrophobicContact CG1-CD2 4.45Å
121	V	98.4	Very high	94.4	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.012	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.3	172.5	176.6	0	0	0	0	108.5	L36 Y55 L56 L58 I90 V104	L36-V121 HydrophobicContact CD1-CG1 4.31Å; L36-V121 HydrophobicContact CD2-CG1 4.21Å; L36-V121 HydrophobicContact CG-CG1 4.4Å; Y55-V121 WeakPolarHBondContact CA-O 3.39Å; L56-V121 HydrophobicContact CB-CB 4.2Å; L56-V121 PolarHBondContact N-O 3.45Å; L56-V121 PolarHBondContact O-N 3.11Å; L58-V121 HydrophobicContact CD1-CG2 4.4Å; I90-V121 HydrophobicContact CB-CG2 4.46Å; I90-V121 HydrophobicContact CD1-CG2 4.3Å; V104-V121 HydrophobicContact CG1-CB 4.24Å; V104-V121 HydrophobicContact CG1-CG1 3.55Å; V104-V121 HydrophobicContact CG1-CG2 3.61Å
122	V	98.3	Very high	94	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	108.4	171.6	-177.3	0	0	0	0	108	V53 Y55 V89 I90 I91 H92 V142 I146	V53-V122 HydrophobicContact CG1-CG1 3.45Å; V53-V122 VanDerWaalsContact CG1-CG1 3.45Å; Y55-V122 HydrophobicContact CD1-CG2 4.1Å; Y55-V122 HydrophobicContact CE1-CG1 4.33Å; Y55-V122 HydrophobicContact CE1-CG2 4.03Å; V89-V122 HydrophobicContact CG1-CG2 3.43Å; V89-V122 VanDerWaalsContact CG1-CG2 3.43Å; I90-V122 PolarHBondContact O-N 3.06Å; I91-V122 HydrophobicContact CG1-CB 4.23Å; I91-V122 HydrophobicContact CG1-CG2 3.94Å; H92-V122 PolarHBondContact CD2-O 3.31Å; V122-V142 HydrophobicContact CG1-CG1 4.33Å; V122-I146 HydrophobicContact CB-CD1 4.47Å; V122-I146 HydrophobicContact CG1-CD1 3.86Å; V122-I146 HydrophobicContact CG1-CG1 3.95Å; V122-I146 HydrophobicContact CG2-CD1 4.03Å; V122-I146 HydrophobicContact CG2-CG1 4.06Å
123	D	96.3	Very high	93.5	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	115.5	172.1	173.1	22	0	0	0	110.4	L36 N37 V53 Q54 H92 I125	L36-D123 WeakPolarHBondContact CA-OD2 3.45Å; L36-D123 HydrophobicContact CD2-CB 4.2Å; L36-D123 HydrophobicContact CG-CB 4.08Å; N37-D123 WeakPolarHBondContact CB-OD2 3.49Å; N37-D123 PolarHBondContact N-OD2 2.03Å; V53-D123 WeakPolarHBondContact CA-O 3.44Å; Q54-D123 HydrophobicContact CG-CB 3.62Å; Q54-D123 PolarHBondContact N-O 2.95Å; Q54-D123 PolarHBondContact NE2-OD2 3.26Å; Q54-D123 PolarHBondContact O-N 3.29Å; H92-D123 IonicContact NE2-OD1 3.69Å; D123-I125 WeakPolarHBondContact OD1-CB 3.42Å; D123-I125 WeakPolarHBondContact OD1-CG2 3.42Å; D123-I125 PolarHBondContact OD1-N 2.79Å
124	W	94.9	Very high	93	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.139	C	C	.	.			trans	-131.4	30.1	179.4	65.2	-74	0	0	0	110.2	V53 H92 Y126 G127 A128 V142 L171 V175	V53-W124 HydrophobicContact CG2-CB 4.08Å; H92-W124 AromaticContact CD2-CD1 3.79Å; H92-W124 AromaticContact CD2-NE1 3.93Å; H92-W124 AromaticContact CE1-CD1 3.35Å; H92-W124 AromaticContact CE1-CE2 3.81Å; H92-W124 AromaticContact CE1-CG 3.79Å; H92-W124 AromaticContact CE1-NE1 3.33Å; H92-W124 PolarHBondContact CE1-NE1 3.33Å; H92-W124 VanDerWaalsContact CE1-NE1 3.33Å; H92-W124 AromaticContact CG-NE1 3.82Å; H92-W124 AromaticContact ND1-CD1 3.92Å; H92-W124 AromaticContact ND1-CE2 3.99Å; H92-W124 AromaticContact ND1-NE1 3.46Å; H92-W124 PolarHBondContact ND1-NE1 2.9Å; H92-W124 AromaticContact NE2-CD1 3.25Å; H92-W124 VanDerWaalsContact NE2-CD1 3.25Å; H92-W124 AromaticContact NE2-CG 3.88Å; H92-W124 PolarHBondContact NE2-N 2.85Å; H92-W124 VanDerWaalsContact NE2-N 3.13Å; H92-W124 AromaticContact NE2-NE1 3.64Å; H92-W124 VanDerWaalsContact O-CZ2 3.26Å; H92-W124 WeakPolarHBondContact O-CZ2 3.33Å; H92-W124 PolarHBondContact O-NE1 3.43Å; W124-Y126 PolarHBondContact O-N 3.27Å; W124-G127 CarbonylContact O-C 3.33Å; W124-G127 WeakPolarHBondContact O-CA 3.41Å; W124-G127 PolarHBondContact O-N 2.84Å; W124-A128 HydrophobicContact CD2-CB 3.82Å; W124-A128 HydrophobicContact CE3-CB 3.54Å; W124-A128 HydrophobicContact CH2-CB 3.74Å; W124-A128 HydrophobicContact CZ2-CB 3.95Å; W124-A128 VanDerWaalsContact CZ3-CA 3.46Å; W124-A128 HydrophobicContact CZ3-CB 3.52Å; W124-A128 PolarHBondContact O-N 2.99Å; W124-V142 HydrophobicContact CB-CG1 4.05Å; W124-V142 HydrophobicContact CB-CG2 4.01Å; W124-V142 HydrophobicContact CD2-CG1 4.09Å; W124-V142 HydrophobicContact CD2-CG2 3.79Å; W124-V142 HydrophobicContact CE3-CG2 3.45Å; W124-V142 VanDerWaalsContact CE3-CG2 3.45Å; W124-V142 HydrophobicContact CG-CG1 3.86Å; W124-V142 HydrophobicContact CG-CG2 4.06Å; W124-V142 HydrophobicContact CZ3-CG2 4.1Å; W124-L171 HydrophobicContact CH2-CD2 3.64Å; W124-L171 HydrophobicContact CH2-CG 3.87Å; W124-L171 HydrophobicContact CZ2-CG 4.39Å; W124-L171 HydrophobicContact CZ3-CD2 4.47Å; W124-V175 HydrophobicContact CZ2-CG2 4.31Å
125	I	91.3	Very high	92.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-51.5	-37.2	-173	-165.1	64.4	0	0	0	112.9	N37 R99 D123 G127 A128 S129	N37-I125 HydrophobicContact CB-CG2 3.51Å; R99-I125 WeakPolarHBondContact O-CD1 3.43Å; D123-I125 WeakPolarHBondContact OD1-CB 3.42Å; D123-I125 WeakPolarHBondContact OD1-CG2 3.42Å; D123-I125 PolarHBondContact OD1-N 2.79Å; I125-G127 VanDerWaalsContact C-N 3.33Å; I125-G127 PolarHBondContact O-N 2.91Å; I125-A128 PolarHBondContact O-N 2.86Å; I125-A128 VanDerWaalsContact O-N 3.14Å; I125-S129 WeakPolarHBondContact CD1-OG 3.33Å; I125-S129 WeakPolarHBondContact O-CB 3.49Å; I125-S129 PolarHBondContact O-N 2.9Å; I125-S129 PolarHBondContact O-OG 3.45Å
126	Y	86.9	Confident	92.3	Very high	46 Å²	46	20.2 Å²	20.2	18%	0.18	11%	0.106	C	C	.	.	H	α-helix	trans	-63.9	-38.7	178.2	-65.4	-65.1	0	0	0	112.3	N37 N38 T39 W124	N37-Y126 HydrophobicContact CB-CE2 3.81Å; N37-Y126 WeakPolarHBondContact ND2-CE2 2.92Å; N38-Y126 PolarHBondContact O-OH 2.92Å; T39-Y126 VanDerWaalsContact CB-CD1 3.42Å; T39-Y126 HydrophobicContact CG2-CD1 4.2Å; T39-Y126 WeakPolarHBondContact OG1-CD1 3.33Å; T39-Y126 WeakPolarHBondContact OG1-CE1 3.4Å; W124-Y126 PolarHBondContact O-N 3.27Å
127	G	88.4	Confident	91.9	Very high	2 Å²	2	23 Å²	23	2%	0.021	12%	0.117	C	C	.	.	H	α-helix	trans	-78.1	-18.6	174.5	0	0	0	0	0	113.7	W124 I125 V135 N138	W124-G127 CarbonylContact O-C 3.33Å; W124-G127 WeakPolarHBondContact O-CA 3.41Å; W124-G127 PolarHBondContact O-N 2.84Å; I125-G127 VanDerWaalsContact C-N 3.33Å; I125-G127 PolarHBondContact O-N 2.91Å; G127-V135 WeakPolarHBondContact O-CB 3.37Å; G127-N138 PolarHBondContact O-ND2 2.96Å
128	A	89.9	Confident	91.6	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-96.3	-5.7	-175.6	0	0	0	0	0	114.7	F94 S95 W124 I125	F94-A128 WeakPolarHBondContact CD2-O 3.35Å; S95-A128 PolarHBondContact N-O 3.41Å; W124-A128 HydrophobicContact CD2-CB 3.82Å; W124-A128 HydrophobicContact CE3-CB 3.54Å; W124-A128 HydrophobicContact CH2-CB 3.74Å; W124-A128 HydrophobicContact CZ2-CB 3.95Å; W124-A128 VanDerWaalsContact CZ3-CA 3.46Å; W124-A128 HydrophobicContact CZ3-CB 3.52Å; W124-A128 PolarHBondContact O-N 2.99Å; I125-A128 PolarHBondContact O-N 2.86Å; I125-A128 VanDerWaalsContact O-N 3.14Å
129	S	88.1	Confident	91.4	Very high	5 Å²	5	25.5 Å²	25.5	4%	0.035	13%	0.13	C	C	.	.			trans	-124.3	101.9	-161.2	-55.5	0	0	0	0	113.8	Y44 S95 G98 I125	Y44-S129 VanDerWaalsContact CD2-O 3.3Å; Y44-S129 WeakPolarHBondContact CD2-O 3.28Å; S95-S129 WeakPolarHBondContact O-CA 3.39Å; S95-S129 WeakPolarHBondContact O-CB 3.48Å; S95-S129 PolarHBondContact O-OG 3.44Å; S95-S129 VanDerWaalsContact O-OG 3.06Å; G98-S129 WeakPolarHBondContact CA-OG 3.41Å; I125-S129 WeakPolarHBondContact CD1-OG 3.33Å; I125-S129 WeakPolarHBondContact O-CB 3.49Å; I125-S129 PolarHBondContact O-N 2.9Å; I125-S129 PolarHBondContact O-OG 3.45Å
130	F	85.9	Confident	91.2	Very high	34 Å²	34	29 Å²	29	15%	0.149	15%	0.145	C	C	.	.	S	Bend	trans	-177.7	-143.4	167.1	-164.4	-117.1	0	0	0	109.5	W41 Y44 F94 L134 V135	W41-F130 HydrophobicContact CE3-CD2 4.21Å; W41-F130 AromaticContact CE3-CE2 3.56Å; W41-F130 HydrophobicContact CE3-CE2 3.56Å; W41-F130 HydrophobicContact CE3-CZ 4.46Å; W41-F130 AromaticContact CH2-CD2 3.89Å; W41-F130 HydrophobicContact CH2-CD2 3.89Å; W41-F130 AromaticContact CH2-CE2 3.47Å; W41-F130 HydrophobicContact CH2-CE2 3.47Å; W41-F130 VanDerWaalsContact CH2-CE2 3.47Å; W41-F130 AromaticContact CH2-CZ 3.98Å; W41-F130 HydrophobicContact CH2-CZ 3.98Å; W41-F130 HydrophobicContact CZ2-CE2 4.42Å; W41-F130 AromaticContact CZ3-CD2 3.78Å; W41-F130 HydrophobicContact CZ3-CD2 3.78Å; W41-F130 AromaticContact CZ3-CE2 2.98Å; W41-F130 HydrophobicContact CZ3-CE2 2.98Å; W41-F130 AromaticContact CZ3-CZ 3.57Å; W41-F130 HydrophobicContact CZ3-CZ 3.57Å; Y44-F130 AromaticContact CD1-CD2 3.21Å; Y44-F130 HydrophobicContact CD1-CD2 3.21Å; Y44-F130 AromaticContact CD1-CE2 3.3Å; Y44-F130 HydrophobicContact CD1-CE2 3.3Å; Y44-F130 AromaticContact CD1-CG 3.86Å; Y44-F130 HydrophobicContact CD1-CG 3.86Å; Y44-F130 HydrophobicContact CD1-CZ 4.11Å; Y44-F130 HydrophobicContact CD2-CB 4.01Å; Y44-F130 HydrophobicContact CD2-CD2 4.1Å; Y44-F130 HydrophobicContact CD2-CG 4.24Å; Y44-F130 HydrophobicContact CE1-CB 4.05Å; Y44-F130 AromaticContact CE1-CD1 3.61Å; Y44-F130 HydrophobicContact CE1-CD1 3.61Å; Y44-F130 AromaticContact CE1-CD2 3.12Å; Y44-F130 HydrophobicContact CE1-CD2 3.12Å; Y44-F130 AromaticContact CE1-CE1 3.79Å; Y44-F130 HydrophobicContact CE1-CE1 3.79Å; Y44-F130 AromaticContact CE1-CE2 3.21Å; Y44-F130 HydrophobicContact CE1-CE2 3.21Å; Y44-F130 AromaticContact CE1-CG 3.31Å; Y44-F130 HydrophobicContact CE1-CG 3.31Å; Y44-F130 AromaticContact CE1-CZ 3.59Å; Y44-F130 HydrophobicContact CE1-CZ 3.59Å; Y44-F130 HydrophobicContact CE2-CB 3.5Å; Y44-F130 VanDerWaalsContact CE2-CB 3.5Å; Y44-F130 HydrophobicContact CE2-CD1 4.42Å; Y44-F130 HydrophobicContact CE2-CD2 4.04Å; Y44-F130 AromaticContact CE2-CG 3.76Å; Y44-F130 HydrophobicContact CE2-CG 3.76Å; Y44-F130 HydrophobicContact CG-CB 4.49Å; Y44-F130 AromaticContact CG-CD2 3.72Å; Y44-F130 HydrophobicContact CG-CD2 3.72Å; Y44-F130 HydrophobicContact CG-CE2 4.22Å; Y44-F130 HydrophobicContact CG-CG 4.29Å; Y44-F130 VanDerWaalsContact CZ-CB 3.5Å; Y44-F130 AromaticContact CZ-CD1 3.53Å; Y44-F130 AromaticContact CZ-CD2 3.56Å; Y44-F130 AromaticContact CZ-CG 3.23Å; Y44-F130 VanDerWaalsContact OH-CD1 3.28Å; Y44-F130 WeakPolarHBondContact OH-CD1 3.04Å; Y44-F130 WeakPolarHBondContact OH-CG 3.46Å; F94-F130 WeakPolarHBondContact CE2-O 3.24Å; F94-F130 WeakPolarHBondContact CZ-O 3.46Å; F130-L134 HydrophobicContact CD1-CB 4.24Å; F130-L134 HydrophobicContact CD1-CD1 3.69Å; F130-L134 HydrophobicContact CD1-CG 4.35Å; F130-L134 HydrophobicContact CE1-CD1 3.5Å; F130-L134 VanDerWaalsContact CE1-CD1 3.5Å; F130-V135 HydrophobicContact CB-CG1 3.57Å
131	A	86.8	Confident	91.1	Very high	39 Å²	39	32.7 Å²	32.7	32%	0.322	16%	0.163	S	C	.	.			trans	-69.2	127.2	158.9	0	0	0	0	0	110.8	N133 L134 V135	A131-N133 VanDerWaalsContact C-N 3.31Å; A131-N133 WeakPolarHBondContact CB-OD1 3.12Å; A131-N133 PolarHBondContact O-N 3.19Å; A131-L134 PolarHBondContact O-N 2.95Å; A131-V135 PolarHBondContact O-N 3.49Å
132	Y	89	Confident	91	Very high	48 Å²	48	32.6 Å²	32.6	19%	0.188	16%	0.162	C	C	.	.	H	α-helix	trans	-50.4	-46.7	-173.7	-176.6	-95	0	0	0	113.5	F94 L134 V135 V136 P198 M199	F94-Y132 HydrophobicContact CB-CD2 4.26Å; F94-Y132 HydrophobicContact CB-CE2 4.43Å; F94-Y132 HydrophobicContact CD1-CD2 4.16Å; F94-Y132 AromaticContact CD2-CD2 3.93Å; F94-Y132 HydrophobicContact CD2-CD2 3.93Å; F94-Y132 HydrophobicContact CE2-CD2 4.3Å; F94-Y132 AromaticContact CG-CD2 3.86Å; F94-Y132 HydrophobicContact CG-CD2 3.86Å; Y132-L134 PolarHBondContact O-N 3.11Å; Y132-V135 PolarHBondContact O-N 3.21Å; Y132-V135 VanDerWaalsContact O-N 3.12Å; Y132-V136 HydrophobicContact CD1-CB 4.46Å; Y132-V136 HydrophobicContact CE1-CB 4.14Å; Y132-V136 HydrophobicContact CE1-CG2 4.05Å; Y132-V136 WeakPolarHBondContact O-CB 3.35Å; Y132-V136 PolarHBondContact O-N 3.34Å; Y132-P198 HydrophobicContact CD1-CB 4.46Å; Y132-P198 HydrophobicContact CE1-CB 3.68Å; Y132-P198 PolarHBondContact OH-O 3.23Å; Y132-M199 HydrophobicContact CE1-CG 4.1Å
133	N	88.6	Confident	91	Very high	108 Å²	108	32.6 Å²	32.6	58%	0.578	16%	0.162	S	C	*	.	H	α-helix	trans	-62.3	-15.8	-179	66.2	-54	0	0	0	114.7	A131	A131-N133 VanDerWaalsContact C-N 3.31Å; A131-N133 WeakPolarHBondContact CB-OD1 3.12Å; A131-N133 PolarHBondContact O-N 3.19Å
134	L	85.9	Confident	91.1	Very high	80 Å²	80	36.5 Å²	36.5	42%	0.419	18%	0.182	S	C	.	.	H	α-helix	trans	-99.5	-25.7	176	-59.4	-169.5	0	0	0	113.1	F130 A131 Y132	F130-L134 HydrophobicContact CD1-CB 4.24Å; F130-L134 HydrophobicContact CD1-CD1 3.69Å; F130-L134 HydrophobicContact CD1-CG 4.35Å; F130-L134 HydrophobicContact CE1-CD1 3.5Å; F130-L134 VanDerWaalsContact CE1-CD1 3.5Å; A131-L134 PolarHBondContact O-N 2.95Å; Y132-L134 PolarHBondContact O-N 3.11Å
135	V	87.5	Confident	91.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-101.8	-17.5	-174.8	-63.7	0	0	0	0	113.1	Y44 F94 G127 F130 A131 Y132 E137 N138	Y44-V135 HydrophobicContact CE2-CG1 4.18Å; F94-V135 HydrophobicContact CD2-CG2 3.66Å; F94-V135 HydrophobicContact CE2-CG2 3.7Å; G127-V135 WeakPolarHBondContact O-CB 3.37Å; F130-V135 HydrophobicContact CB-CG1 3.57Å; A131-V135 PolarHBondContact O-N 3.49Å; Y132-V135 PolarHBondContact O-N 3.21Å; Y132-V135 VanDerWaalsContact O-N 3.12Å; V135-E137 PolarHBondContact O-N 2.87Å; V135-N138 WeakPolarHBondContact O-CB 3.39Å; V135-N138 PolarHBondContact O-N 2.9Å
136	V	90.6	Very high	91.5	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.012	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-54.4	-39.8	177.7	65.5	0	0	0	0	111.4	Y132 N138 Y139 L171 M199 F200	Y132-V136 HydrophobicContact CD1-CB 4.46Å; Y132-V136 HydrophobicContact CE1-CB 4.14Å; Y132-V136 HydrophobicContact CE1-CG2 4.05Å; Y132-V136 WeakPolarHBondContact O-CB 3.35Å; Y132-V136 PolarHBondContact O-N 3.34Å; V136-N138 PolarHBondContact O-N 3.21Å; V136-Y139 WeakPolarHBondContact O-CD1 3.48Å; V136-Y139 PolarHBondContact O-N 3.46Å; V136-L171 HydrophobicContact CG2-CD1 4.09Å; V136-M199 HydrophobicContact CG1-CE 4.41Å; V136-M199 HydrophobicContact CG1-CG 4.17Å; V136-M199 HydrophobicContact CG2-CB 4.1Å; V136-M199 HydrophobicContact CG2-CG 4.2Å; V136-F200 HydrophobicContact CG2-CE2 3.6Å; V136-F200 HydrophobicContact CG2-CZ 3.82Å
137	E	88.6	Confident	92	Very high	112 Å²	112	37 Å²	37	52%	0.523	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-63.4	-20.7	179.7	-62.5	-59.9	149.6	0	0	114.3	V135 Y139	V135-E137 PolarHBondContact O-N 2.87Å; E137-Y139 PolarHBondContact O-N 3.33Å
138	N	92.4	Very high	92.5	Very high	43 Å²	43	40.3 Å²	40.3	23%	0.23	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-68.7	-15.4	-179.4	-66.6	-27.3	0	0	0	112.6	V51 G127 V135 V136 K140 E141 V142	V51-N138 HydrophobicContact CG2-CB 3.8Å; G127-N138 PolarHBondContact O-ND2 2.96Å; V135-N138 WeakPolarHBondContact O-CB 3.39Å; V135-N138 PolarHBondContact O-N 2.9Å; V136-N138 PolarHBondContact O-N 3.21Å; N138-K140 PolarHBondContact O-N 3.13Å; N138-E141 PolarHBondContact O-N 2.95Å; N138-E141 VanDerWaalsContact O-N 3.12Å; N138-V142 WeakPolarHBondContact O-CG2 3.33Å; N138-V142 PolarHBondContact O-N 2.91Å
139	Y	94.1	Very high	92.8	Very high	11 Å²	11	40.9 Å²	40.9	4%	0.043	21%	0.21	C	C	.	.	H	α-helix	trans	-56.8	-35.8	-174.5	87.6	-84.6	0	0	0	113.1	V136 E137 A143 H174 F178 F200 D207	V136-Y139 WeakPolarHBondContact O-CD1 3.48Å; V136-Y139 PolarHBondContact O-N 3.46Å; E137-Y139 PolarHBondContact O-N 3.33Å; Y139-A143 VanDerWaalsContact O-CB 3.31Å; Y139-A143 WeakPolarHBondContact O-CB 3.16Å; Y139-A143 PolarHBondContact O-N 3.06Å; Y139-H174 HydrophobicContact CD2-CB 4.35Å; Y139-F178 HydrophobicContact CD2-CB 4.38Å; Y139-F178 HydrophobicContact CE2-CB 4.08Å; Y139-F178 HydrophobicContact CE2-CD2 4.07Å; Y139-F178 HydrophobicContact CE2-CG 4.13Å; Y139-F200 HydrophobicContact CD1-CE1 4.37Å; Y139-F200 HydrophobicContact CD1-CZ 4.18Å; Y139-F200 HydrophobicContact CE1-CE1 4.01Å; Y139-F200 HydrophobicContact CE1-CZ 4.21Å; Y139-F200 HydrophobicContact CE2-CE1 4.23Å; Y139-F200 HydrophobicContact CG-CZ 4.37Å; Y139-F200 AromaticContact CZ-CE1 3.93Å; Y139-D207 PolarHBondContact OH-O 2.98Å; Y139-D207 VanDerWaalsContact OH-O 3.07Å; Y139-D207 PolarHBondContact OH-OD1 2.85Å
140	K	95	Very high	93.3	Very high	73 Å²	73	40.7 Å²	40.7	32%	0.317	21%	0.209	S	C	.	.	H	α-helix	trans	-67.9	-42.1	178.8	-65.2	-173.9	176.7	-174.9	0	112.1	N138 A143 L144 F178 D207	N138-K140 PolarHBondContact O-N 3.13Å; K140-A143 PolarHBondContact O-N 2.59Å; K140-L144 WeakPolarHBondContact O-CB 3.44Å; K140-L144 PolarHBondContact O-N 3.14Å; K140-F178 HydrophobicContact CB-CD1 4.41Å; K140-F178 HydrophobicContact CB-CE1 4.05Å; K140-F178 HydrophobicContact CB-CZ 4.38Å; K140-F178 HydrophobicContact CD-CE2 4.23Å; K140-F178 HydrophobicContact CD-CZ 4Å; K140-F178 HydrophobicContact CG-CD1 4.36Å; K140-F178 HydrophobicContact CG-CD2 4.49Å; K140-F178 HydrophobicContact CG-CE1 4.06Å; K140-F178 HydrophobicContact CG-CE2 4.2Å; K140-F178 HydrophobicContact CG-CZ 3.97Å; K140-D207 VanDerWaalsContact CE-OD1 3.23Å; K140-D207 WeakPolarHBondContact CE-OD1 3.05Å; K140-D207 IonicContact NZ-OD1 2.9Å; K140-D207 PolarHBondContact NZ-OD1 3.16Å
141	E	95.6	Very high	93.8	Very high	81 Å²	81	42.4 Å²	42.4	38%	0.379	22%	0.219	S	C	.	.	H	α-helix	trans	-67.5	-41.3	178	179.2	56.7	-149.4	0	0	111	V51 N138 A143 L144 Q145	V51-E141 HydrophobicContact CB-CB 4.4Å; V51-E141 HydrophobicContact CB-CG 3.74Å; V51-E141 HydrophobicContact CG1-CG 4.12Å; V51-E141 HydrophobicContact CG2-CB 4.37Å; V51-E141 HydrophobicContact CG2-CG 4.13Å; N138-E141 PolarHBondContact O-N 2.95Å; N138-E141 VanDerWaalsContact O-N 3.12Å; E141-A143 PolarHBondContact O-N 3.01Å; E141-L144 WeakPolarHBondContact O-CB 3.1Å; E141-L144 PolarHBondContact O-N 3.01Å; E141-Q145 WeakPolarHBondContact O-CG 3.3Å; E141-Q145 PolarHBondContact O-N 3.42Å; E141-Q145 PolarHBondContact OE1-NE2 3.1Å
142	V	97.1	Very high	94.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.7	-47.2	173.5	179.2	0	0	0	0	110.4	V51 V53 V122 W124 N138 L144 Q145 I146 V175	V51-V142 HydrophobicContact CG1-CG2 3.55Å; V53-V142 HydrophobicContact CG2-CB 4.35Å; V53-V142 HydrophobicContact CG2-CG1 3.95Å; V53-V142 HydrophobicContact CG2-CG2 4.3Å; V122-V142 HydrophobicContact CG1-CG1 4.33Å; W124-V142 HydrophobicContact CB-CG1 4.05Å; W124-V142 HydrophobicContact CB-CG2 4.01Å; W124-V142 HydrophobicContact CD2-CG1 4.09Å; W124-V142 HydrophobicContact CD2-CG2 3.79Å; W124-V142 HydrophobicContact CE3-CG2 3.45Å; W124-V142 VanDerWaalsContact CE3-CG2 3.45Å; W124-V142 HydrophobicContact CG-CG1 3.86Å; W124-V142 HydrophobicContact CG-CG2 4.06Å; W124-V142 HydrophobicContact CZ3-CG2 4.1Å; N138-V142 WeakPolarHBondContact O-CG2 3.33Å; N138-V142 PolarHBondContact O-N 2.91Å; V142-L144 VanDerWaalsContact C-N 3.32Å; V142-L144 PolarHBondContact O-N 3.44Å; V142-Q145 PolarHBondContact O-N 3.01Å; V142-I146 HydrophobicContact CG1-CD1 4.02Å; V142-I146 WeakPolarHBondContact O-CG1 3.47Å; V142-I146 PolarHBondContact O-N 3.4Å; V142-V175 HydrophobicContact CB-CG1 4.21Å; V142-V175 HydrophobicContact CB-CG2 4.46Å; V142-V175 HydrophobicContact CG1-CG1 3.74Å; V142-V175 HydrophobicContact CG1-CG2 4.43Å
143	A	98.1	Very high	94.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.1	-44.2	177.2	0	0	0	0	0	111.4	Y139 K140 E141 Q145 I146 S147 V175 F178 V179 M182	Y139-A143 VanDerWaalsContact O-CB 3.31Å; Y139-A143 WeakPolarHBondContact O-CB 3.16Å; Y139-A143 PolarHBondContact O-N 3.06Å; K140-A143 PolarHBondContact O-N 2.59Å; E141-A143 PolarHBondContact O-N 3.01Å; A143-Q145 VanDerWaalsContact C-N 3.34Å; A143-Q145 PolarHBondContact O-N 3.2Å; A143-I146 PolarHBondContact O-N 2.01Å; A143-S147 PolarHBondContact O-N 3.28Å; A143-S147 PolarHBondContact O-OG 3.07Å; A143-V175 HydrophobicContact CB-CG1 4.08Å; A143-F178 HydrophobicContact CB-CB 3.88Å; A143-F178 HydrophobicContact CB-CD1 3.68Å; A143-F178 HydrophobicContact CB-CG 4.25Å; A143-V179 HydrophobicContact CB-CG2 3.8Å; A143-V179 WeakPolarHBondContact O-CG2 3.07Å; A143-M182 HydrophobicContact CB-CE 3.8Å; A143-M182 WeakPolarHBondContact O-CE 3.16Å
144	L	97.5	Very high	94.9	Very high	82 Å²	82	38.1 Å²	38.1	43%	0.429	19%	0.191	S	C	.	.	H	α-helix	trans	-56.6	-46.6	176.1	178.8	63.2	0	0	0	111.7	K140 E141 V142 I146 S147 V148 M182	K140-L144 WeakPolarHBondContact O-CB 3.44Å; K140-L144 PolarHBondContact O-N 3.14Å; E141-L144 WeakPolarHBondContact O-CB 3.1Å; E141-L144 PolarHBondContact O-N 3.01Å; V142-L144 VanDerWaalsContact C-N 3.32Å; V142-L144 PolarHBondContact O-N 3.44Å; L144-I146 PolarHBondContact O-N 3.18Å; L144-S147 PolarHBondContact O-N 3.11Å; L144-V148 WeakPolarHBondContact O-CG2 3.16Å; L144-V148 PolarHBondContact O-N 2.88Å; L144-M182 HydrophobicContact CD1-SD 4.11Å
145	Q	97.4	Very high	95.4	Very high	47 Å²	47	40.6 Å²	40.6	22%	0.22	20%	0.2	C	C	.	.	H	α-helix	trans	-63.4	-40.5	178.1	-68.3	-176.7	33.8	0	0	112	V51 V53 Y55 E141 V142 A143 V148 L149	V51-Q145 PolarHBondContact O-NE2 3.43Å; V53-Q145 HydrophobicContact CB-CB 4.3Å; V53-Q145 VanDerWaalsContact CB-OE1 3.3Å; V53-Q145 HydrophobicContact CG2-CB 4.04Å; V53-Q145 HydrophobicContact CG2-CG 4.5Å; V53-Q145 VanDerWaalsContact CG2-OE1 3.29Å; Y55-Q145 PolarHBondContact OH-O 3.25Å; E141-Q145 WeakPolarHBondContact O-CG 3.3Å; E141-Q145 PolarHBondContact O-N 3.42Å; E141-Q145 PolarHBondContact OE1-NE2 3.1Å; V142-Q145 PolarHBondContact O-N 3.01Å; A143-Q145 VanDerWaalsContact C-N 3.34Å; A143-Q145 PolarHBondContact O-N 3.2Å; Q145-V148 PolarHBondContact O-N 2.67Å; Q145-L149 PolarHBondContact O-N 2.63Å
146	I	98.3	Very high	95.7	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-44.2	174.3	-62.7	165.3	0	0	0	110.4	Y55 I91 V122 V142 A143 L144 V148 L149 V150 V175 V179	Y55-I146 HydrophobicContact CE1-CG1 4.22Å; Y55-I146 WeakPolarHBondContact OH-CA 3.45Å; Y55-I146 PolarHBondContact OH-N 3.49Å; I91-I146 HydrophobicContact CD1-CD1 3.89Å; I91-I146 HydrophobicContact CG1-CD1 4.2Å; V122-I146 HydrophobicContact CB-CD1 4.47Å; V122-I146 HydrophobicContact CG1-CD1 3.86Å; V122-I146 HydrophobicContact CG1-CG1 3.95Å; V122-I146 HydrophobicContact CG2-CD1 4.03Å; V122-I146 HydrophobicContact CG2-CG1 4.06Å; V142-I146 HydrophobicContact CG1-CD1 4.02Å; V142-I146 WeakPolarHBondContact O-CG1 3.47Å; V142-I146 PolarHBondContact O-N 3.4Å; A143-I146 PolarHBondContact O-N 2.01Å; L144-I146 PolarHBondContact O-N 3.18Å; I146-V148 VanDerWaalsContact C-N 3.29Å; I146-V148 PolarHBondContact O-N 3.34Å; I146-L149 WeakPolarHBondContact O-CB 2.92Å; I146-L149 PolarHBondContact O-N 3.18Å; I146-L149 VanDerWaalsContact O-N 3.11Å; I146-V150 HydrophobicContact CG2-CG2 4.19Å; I146-V150 WeakPolarHBondContact O-CG2 3.26Å; I146-V150 PolarHBondContact O-N 2.81Å; I146-V175 HydrophobicContact CD1-CG1 3.48Å; I146-V175 VanDerWaalsContact CD1-CG1 3.48Å; I146-V179 HydrophobicContact CB-CG2 3.81Å; I146-V179 HydrophobicContact CD1-CG2 4.22Å; I146-V179 HydrophobicContact CG2-CG1 4.26Å; I146-V179 HydrophobicContact CG2-CG2 3.81Å
147	S	98.2	Very high	95.8	Very high	9 Å²	9	49.1 Å²	49.1	6%	0.063	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-35.2	178.4	-72.7	0	0	0	0	112.7	A143 L144 V150 N151 M182 F183	A143-S147 PolarHBondContact O-N 3.28Å; A143-S147 PolarHBondContact O-OG 3.07Å; L144-S147 PolarHBondContact O-N 3.11Å; S147-V150 PolarHBondContact O-N 3.04Å; S147-N151 WeakPolarHBondContact O-CB 3.37Å; S147-N151 PolarHBondContact O-N 3.15Å; S147-M182 WeakPolarHBondContact OG-CE 3.28Å; S147-F183 WeakPolarHBondContact O-CZ 3.42Å; S147-F183 WeakPolarHBondContact OG-CE2 3.45Å
148	V	97.4	Very high	96	Very high	70 Å²	70	46.6 Å²	46.6	42%	0.424	24%	0.242	S	C	.	.	H	α-helix	trans	-60	-47.6	171.7	170.1	0	0	0	0	110.6	L144 Q145 I146 N151 Q152	L144-V148 WeakPolarHBondContact O-CG2 3.16Å; L144-V148 PolarHBondContact O-N 2.88Å; Q145-V148 PolarHBondContact O-N 2.67Å; I146-V148 VanDerWaalsContact C-N 3.29Å; I146-V148 PolarHBondContact O-N 3.34Å; V148-N151 PolarHBondContact O-N 3.12Å; V148-Q152 HydrophobicContact CG1-CG 4.45Å; V148-Q152 WeakPolarHBondContact O-CB 3.49Å; V148-Q152 WeakPolarHBondContact O-CG 3.46Å; V148-Q152 PolarHBondContact O-N 3.2Å
149	L	97.2	Very high	96.1	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.063	23%	0.232	C	C	.	.	H	α-helix	trans	-61.2	-49	176.8	176.7	66.7	0	0	0	111.7	Y55 F69 V120 Q145 I146 N151 Q152 L153	Y55-L149 HydrophobicContact CD1-CD2 3.56Å; Y55-L149 HydrophobicContact CD2-CD2 3.88Å; Y55-L149 HydrophobicContact CE1-CD2 3.64Å; Y55-L149 HydrophobicContact CE2-CB 4.3Å; Y55-L149 HydrophobicContact CE2-CD2 3.96Å; Y55-L149 HydrophobicContact CG-CD2 3.68Å; F69-L149 HydrophobicContact CD1-CD2 4.48Å; F69-L149 HydrophobicContact CE1-CD1 4.14Å; F69-L149 HydrophobicContact CE1-CD2 4.36Å; V120-L149 HydrophobicContact CG1-CD2 4.45Å; Q145-L149 PolarHBondContact O-N 2.63Å; I146-L149 WeakPolarHBondContact O-CB 2.92Å; I146-L149 PolarHBondContact O-N 3.18Å; I146-L149 VanDerWaalsContact O-N 3.11Å; L149-N151 PolarHBondContact O-N 2.95Å; L149-Q152 WeakPolarHBondContact O-CB 3.35Å; L149-Q152 PolarHBondContact O-N 3.22Å; L149-L153 HydrophobicContact CD1-CD1 4.36Å; L149-L153 HydrophobicContact CD1-CG 4.32Å; L149-L153 HydrophobicContact CG-CD1 4.15Å; L149-L153 HydrophobicContact CG-CG 4.49Å; L149-L153 WeakPolarHBondContact O-CG 3.5Å; L149-L153 PolarHBondContact O-N 3.4Å
150	V	98.1	Very high	96.3	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-60.7	-44.9	-179.6	173.8	0	0	0	0	111	I146 S147 Q152 L153 Q154 L161 F164 F183 I187	I146-V150 HydrophobicContact CG2-CG2 4.19Å; I146-V150 WeakPolarHBondContact O-CG2 3.26Å; I146-V150 PolarHBondContact O-N 2.81Å; S147-V150 PolarHBondContact O-N 3.04Å; V150-Q152 VanDerWaalsContact C-N 3.32Å; V150-Q152 PolarHBondContact O-N 2.87Å; V150-L153 PolarHBondContact O-N 3.46Å; V150-Q154 WeakPolarHBondContact O-CB 3.48Å; V150-Q154 PolarHBondContact O-N 3.5Å; V150-L161 HydrophobicContact CG1-CD2 3.72Å; V150-F164 HydrophobicContact CG1-CD1 4.45Å; V150-F164 HydrophobicContact CG1-CD2 4.35Å; V150-F164 HydrophobicContact CG1-CE1 4.27Å; V150-F164 HydrophobicContact CG1-CE2 4.15Å; V150-F164 HydrophobicContact CG1-CG 4.49Å; V150-F164 HydrophobicContact CG1-CZ 4.11Å; V150-F164 HydrophobicContact CG2-CD1 4.23Å; V150-F164 HydrophobicContact CG2-CE1 4.06Å; V150-F183 HydrophobicContact CB-CE2 3.81Å; V150-F183 HydrophobicContact CB-CZ 3.68Å; V150-F183 HydrophobicContact CG1-CD2 4.46Å; V150-F183 HydrophobicContact CG1-CE1 4.19Å; V150-F183 HydrophobicContact CG1-CE2 3.67Å; V150-F183 HydrophobicContact CG1-CZ 3.51Å; V150-I187 HydrophobicContact CG1-CD1 4.25Å
151	N	97.4	Very high	96.4	Very high	70 Å²	70	49.3 Å²	49.3	37%	0.374	25%	0.248	S	C	.	.	H	α-helix	trans	-62.7	-39.6	176.9	-179.2	59.9	0	0	0	111.4	S147 V148 L149 Q154 Q155 F183	S147-N151 WeakPolarHBondContact O-CB 3.37Å; S147-N151 PolarHBondContact O-N 3.15Å; V148-N151 PolarHBondContact O-N 3.12Å; L149-N151 PolarHBondContact O-N 2.95Å; N151-Q154 PolarHBondContact O-N 2.91Å; N151-Q155 WeakPolarHBondContact O-CB 3.3Å; N151-Q155 VanDerWaalsContact O-CG 3.24Å; N151-Q155 WeakPolarHBondContact O-CG 3.39Å; N151-Q155 PolarHBondContact O-N 2.92Å; N151-Q155 WeakPolarHBondContact OD1-CG 3.42Å; N151-F183 HydrophobicContact CB-CE1 4.2Å; N151-F183 HydrophobicContact CB-CZ 4.11Å
152	Q	95.6	Very high	96.6	Very high	47 Å²	47	50.1 Å²	50.1	22%	0.22	25%	0.252	C	S	.	.	H	α-helix	trans	-64	-44.3	175.4	-73.1	169	-12.6	0	0	112.1	Q71 V148 L149 V150 Q154 K156	Q71-Q152 HydrophobicContact CB-CB 3.84Å; Q71-Q152 HydrophobicContact CB-CG 4.48Å; Q71-Q152 HydrophobicContact CG-CB 4.41Å; Q71-Q152 VanDerWaalsContact CG-OE1 3.22Å; V148-Q152 HydrophobicContact CG1-CG 4.45Å; V148-Q152 WeakPolarHBondContact O-CB 3.49Å; V148-Q152 WeakPolarHBondContact O-CG 3.46Å; V148-Q152 PolarHBondContact O-N 3.2Å; L149-Q152 WeakPolarHBondContact O-CB 3.35Å; L149-Q152 PolarHBondContact O-N 3.22Å; V150-Q152 VanDerWaalsContact C-N 3.32Å; V150-Q152 PolarHBondContact O-N 2.87Å; Q152-Q154 VanDerWaalsContact C-N 3.3Å; Q152-Q154 PolarHBondContact O-N 3.26Å; Q152-K156 VanDerWaalsContact O-CB 3.28Å; Q152-K156 WeakPolarHBondContact O-CB 3.35Å; Q152-K156 PolarHBondContact O-N 2.95Å
153	L	96.3	Very high	96.6	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-37.6	174.9	-67.6	174.3	0	0	0	112.2	F69 V74 F81 L149 V150 H157 G158 C159 F164	F69-L153 HydrophobicContact CE1-CD1 4.46Å; F69-L153 HydrophobicContact CE1-CD2 4.48Å; F69-L153 HydrophobicContact CZ-CD2 4.07Å; V74-L153 HydrophobicContact CG2-CD2 3.67Å; F81-L153 HydrophobicContact CE1-CD2 4.17Å; F81-L153 HydrophobicContact CZ-CD1 4.24Å; F81-L153 HydrophobicContact CZ-CD2 4.11Å; L149-L153 HydrophobicContact CD1-CD1 4.36Å; L149-L153 HydrophobicContact CD1-CG 4.32Å; L149-L153 HydrophobicContact CG-CD1 4.15Å; L149-L153 HydrophobicContact CG-CG 4.49Å; L149-L153 WeakPolarHBondContact O-CG 3.5Å; L149-L153 PolarHBondContact O-N 3.4Å; V150-L153 PolarHBondContact O-N 3.46Å; L153-H157 CarbonylContact O-C 3.5Å; L153-H157 WeakPolarHBondContact O-CA 3.39Å; L153-H157 WeakPolarHBondContact O-CB 3.25Å; L153-H157 PolarHBondContact O-N 2.92Å; L153-G158 PolarHBondContact O-N 3.33Å; L153-C159 HydrophobicContact CB-CB 4.16Å; L153-C159 WeakPolarHBondContact O-CB 3.38Å; L153-C159 PolarHBondContact O-N 3.43Å; L153-C159 VanDerWaalsContact O-N 3.11Å; L153-F164 HydrophobicContact CB-CZ 4.08Å; L153-F164 HydrophobicContact CD1-CE1 3.99Å; L153-F164 HydrophobicContact CD1-CZ 3.93Å
154	Q	95.4	Very high	96.6	Very high	56 Å²	56	51.9 Å²	51.9	26%	0.262	26%	0.264	S	S	.	.	H	α-helix	trans	-67.9	-58.5	175.5	-177.4	-169.4	14.1	0	0	111.7	V150 N151 Q152 G158 C159 L161	V150-Q154 WeakPolarHBondContact O-CB 3.48Å; V150-Q154 PolarHBondContact O-N 3.5Å; N151-Q154 PolarHBondContact O-N 2.91Å; Q152-Q154 VanDerWaalsContact C-N 3.3Å; Q152-Q154 PolarHBondContact O-N 3.26Å; Q154-G158 WeakPolarHBondContact O-CA 3.38Å; Q154-G158 PolarHBondContact O-N 3.23Å; Q154-C159 WeakPolarHBondContact CA-O 3.29Å; Q154-C159 WeakPolarHBondContact CG-O 3.47Å; Q154-L161 HydrophobicContact CB-CD2 4.45Å; Q154-L161 HydrophobicContact CG-CD2 4.47Å; Q154-L161 HydrophobicContact CG-CG 4.47Å
155	Q	94.9	Very high	96.7	Very high	132 Å²	132	48.2 Å²	48.2	62%	0.617	25%	0.245	S	C	*	.	H	α-helix	trans	-73.5	-36.2	-168.9	-61.5	-59.9	-30.1	0	0	112.9	N151	N151-Q155 WeakPolarHBondContact O-CB 3.3Å; N151-Q155 VanDerWaalsContact O-CG 3.24Å; N151-Q155 WeakPolarHBondContact O-CG 3.39Å; N151-Q155 PolarHBondContact O-N 2.92Å; N151-Q155 WeakPolarHBondContact OD1-CG 3.42Å
156	K	93.8	Very high	96.8	Very high	123 Å²	123	46 Å²	46	54%	0.535	23%	0.234	S	C	.	.	H	α-helix	trans	-92.6	-33.1	-176.7	-62.6	-176.9	173	-179.7	0	113.5	Q71 Q152	Q71-K156 VanDerWaalsContact CD-NZ 3.35Å; Q152-K156 VanDerWaalsContact O-CB 3.28Å; Q152-K156 WeakPolarHBondContact O-CB 3.35Å; Q152-K156 PolarHBondContact O-N 2.95Å
157	H	92.9	Very high	96.8	Very high	57 Å²	57	45.9 Å²	45.9	26%	0.264	23%	0.234	S	C	.	.	H	α-helix	trans	-118.4	2.1	-169	-58.1	-66.3	0	0	0	113.5	Q71 V74 T83 L153 C159	Q71-H157 PolarHBondContact O-NE2 3.43Å; V74-H157 VanDerWaalsContact CB-CE1 3.5Å; V74-H157 WeakPolarHBondContact CB-CE1 3.48Å; V74-H157 WeakPolarHBondContact CB-NE2 3.24Å; V74-H157 HydrophobicContact CG1-CB 4.13Å; V74-H157 WeakPolarHBondContact CG1-ND1 3.4Å; T83-H157 HydrophobicContact CG2-CB 3.92Å; L153-H157 CarbonylContact O-C 3.5Å; L153-H157 WeakPolarHBondContact O-CA 3.39Å; L153-H157 WeakPolarHBondContact O-CB 3.25Å; L153-H157 PolarHBondContact O-N 2.92Å; H157-C159 VanDerWaalsContact C-N 3.27Å; H157-C159 PolarHBondContact O-N 2.92Å
158	G	92.5	Very high	96.8	Very high	59 Å²	59	45.4 Å²	45.4	61%	0.608	23%	0.231	S	C	*	.			trans	71.2	17.6	174.3	0	0	0	0	0	114.5	L153 Q154 R160	L153-G158 PolarHBondContact O-N 3.33Å; Q154-G158 WeakPolarHBondContact O-CA 3.38Å; Q154-G158 PolarHBondContact O-N 3.23Å; G158-R160 PolarHBondContact O-N 2.97Å
159	C	95.9	Very high	96.9	Very high	4 Å²	4	42.3 Å²	42.3	3%	0.027	21%	0.212	C	C	.	.			trans	-65.6	132.8	176.3	-62.6	0	0	0	0	110	L153 Q154 H157 F164	L153-C159 HydrophobicContact CB-CB 4.16Å; L153-C159 WeakPolarHBondContact O-CB 3.38Å; L153-C159 PolarHBondContact O-N 3.43Å; L153-C159 VanDerWaalsContact O-N 3.11Å; Q154-C159 WeakPolarHBondContact CA-O 3.29Å; Q154-C159 WeakPolarHBondContact CG-O 3.47Å; H157-C159 VanDerWaalsContact C-N 3.27Å; H157-C159 PolarHBondContact O-N 2.92Å; C159-F164 HydrophobicContact CB-CE2 3.92Å; C159-F164 HydrophobicContact CB-CZ 4.1Å
160	R	97.6	Very high	96.9	Very high	169 Å²	169	42.4 Å²	42.4	64%	0.638	21%	0.214	S	C	*	.			trans	-81.6	133.6	-180	-64.3	-173.9	71.5	131.4	2.4	110.3	G158 E162 S163 F164	G158-R160 PolarHBondContact O-N 2.97Å; R160-E162 WeakPolarHBondContact CB-OE2 3.44Å; R160-E162 IonicContact NE-OE2 2.69Å; R160-E162 IonicContact NH2-OE1 3.81Å; R160-E162 PolarHBondContact O-N 3.22Å; R160-S163 WeakPolarHBondContact O-CB 3.46Å; R160-S163 PolarHBondContact O-N 3.24Å; R160-S163 PolarHBondContact O-OG 2.88Å; R160-F164 VanDerWaalsContact O-CD2 3.3Å; R160-F164 WeakPolarHBondContact O-CD2 3.28Å
161	L	98.3	Very high	96.9	Very high	11 Å²	11	42.3 Å²	42.3	6%	0.058	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-58.8	-33.1	178.4	-66.6	178.1	0	0	0	111.6	V150 Q154 S163 F164 F183 K186 I187 G188	V150-L161 HydrophobicContact CG1-CD2 3.72Å; Q154-L161 HydrophobicContact CB-CD2 4.45Å; Q154-L161 HydrophobicContact CG-CD2 4.47Å; Q154-L161 HydrophobicContact CG-CG 4.47Å; L161-S163 PolarHBondContact O-N 2.96Å; L161-F164 PolarHBondContact O-N 2.79Å; L161-F164 VanDerWaalsContact O-N 3.12Å; L161-F183 HydrophobicContact CD1-CB 4.46Å; L161-F183 HydrophobicContact CD1-CD1 3.88Å; L161-F183 HydrophobicContact CD1-CG 4.44Å; L161-F183 HydrophobicContact CD2-CD1 3.85Å; L161-F183 HydrophobicContact CD2-CE1 3.93Å; L161-F183 HydrophobicContact CD2-CG 4.36Å; L161-K186 CarbonylContact C-O 3.46Å; L161-K186 HydrophobicContact CB-CB 4.44Å; L161-K186 VanDerWaalsContact CB-O 3.31Å; L161-K186 WeakPolarHBondContact CB-O 3.48Å; L161-K186 HydrophobicContact CD1-CB 3.78Å; L161-I187 HydrophobicContact CD2-CD1 4.21Å; L161-G188 PolarHBondContact O-N 2.92Å
162	E	97.9	Very high	97	Very high	99 Å²	99	39 Å²	39	46%	0.463	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-67.1	-15.7	177.6	-50.4	95	138.9	0	0	113.1	R160 G188 L215	R160-E162 WeakPolarHBondContact CB-OE2 3.44Å; R160-E162 IonicContact NE-OE2 2.69Å; R160-E162 IonicContact NH2-OE1 3.81Å; R160-E162 PolarHBondContact O-N 3.22Å; E162-G188 WeakPolarHBondContact O-CA 3.31Å; E162-L215 HydrophobicContact CB-CD1 4.14Å; E162-L215 HydrophobicContact CG-CD1 3.61Å
163	S	97.7	Very high	97.1	Very high	34 Å²	34	36.8 Å²	36.8	24%	0.238	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-88.2	-7	176.6	75.9	0	0	0	0	113.7	P86 T87 R160 L161	P86-S163 WeakPolarHBondContact CA-O 3.29Å; T87-S163 PolarHBondContact N-O 3.45Å; R160-S163 WeakPolarHBondContact O-CB 3.46Å; R160-S163 PolarHBondContact O-N 3.24Å; R160-S163 PolarHBondContact O-OG 2.88Å; L161-S163 PolarHBondContact O-N 2.96Å
164	F	98.7	Very high	97.2	Very high	3 Å²	3	36.7 Å²	36.7	1%	0.013	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	137	176.5	-71.6	-94.8	0	0	0	111.3	T87 V89 V150 L153 C159 R160 L161 I187 G188 R189	T87-F164 HydrophobicContact CG2-CD1 4.02Å; T87-F164 HydrophobicContact CG2-CE1 3.87Å; T87-F164 WeakPolarHBondContact O-CA 3.45Å; V89-F164 HydrophobicContact CG2-CD1 4.26Å; V150-F164 HydrophobicContact CG1-CD1 4.45Å; V150-F164 HydrophobicContact CG1-CD2 4.35Å; V150-F164 HydrophobicContact CG1-CE1 4.27Å; V150-F164 HydrophobicContact CG1-CE2 4.15Å; V150-F164 HydrophobicContact CG1-CG 4.49Å; V150-F164 HydrophobicContact CG1-CZ 4.11Å; V150-F164 HydrophobicContact CG2-CD1 4.23Å; V150-F164 HydrophobicContact CG2-CE1 4.06Å; L153-F164 HydrophobicContact CB-CZ 4.08Å; L153-F164 HydrophobicContact CD1-CE1 3.99Å; L153-F164 HydrophobicContact CD1-CZ 3.93Å; C159-F164 HydrophobicContact CB-CE2 3.92Å; C159-F164 HydrophobicContact CB-CZ 4.1Å; R160-F164 VanDerWaalsContact O-CD2 3.3Å; R160-F164 WeakPolarHBondContact O-CD2 3.28Å; L161-F164 PolarHBondContact O-N 2.79Å; L161-F164 VanDerWaalsContact O-N 3.12Å; F164-I187 HydrophobicContact CB-CD1 4.35Å; F164-I187 HydrophobicContact CB-CG2 4.38Å; F164-G188 WeakPolarHBondContact O-CA 3.32Å; F164-G188 PolarHBondContact O-N 3.24Å; F164-R189 PolarHBondContact O-N 2.84Å; F164-R189 VanDerWaalsContact O-N 3.08Å
165	H	98.9	Very high	97.4	Very high	4 Å²	4	34 Å²	34	2%	0.019	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	107.3	172	178.1	-174.1	0	0	0	108.9	T87 K88 V89 R189 T191 Y272	T87-H165 PolarHBondContact O-N 3.38Å; K88-H165 CarbonylContact C-O 3.6Å; K88-H165 WeakPolarHBondContact CA-O 3.45Å; K88-H165 HydrophobicContact CD-CB 3.61Å; K88-H165 PolarHBondContact NZ-ND1 3.31Å; V89-H165 PolarHBondContact N-O 3.32Å; H165-R189 CarbonylContact C-O 3.47Å; H165-R189 VanDerWaalsContact CA-O 3.25Å; H165-R189 WeakPolarHBondContact CA-O 3.43Å; H165-R189 HydrophobicContact CB-CB 4.32Å; H165-T191 PolarHBondContact NE2-OG1 3.09Å; H165-Y272 PolarHBondContact CE1-OH 3.38Å; H165-Y272 VanDerWaalsContact CE1-OH 3.26Å
166	L	98.9	Very high	97.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	128.2	177.7	-49.4	174.3	0	0	0	109	V89 I91 A176 V179 I187 R189 I190 T191	V89-L166 HydrophobicContact CB-CD2 3.54Å; V89-L166 HydrophobicContact CG1-CD2 4.08Å; V89-L166 HydrophobicContact CG2-CD2 3.66Å; I91-L166 HydrophobicContact CD1-CB 4.41Å; L166-A176 HydrophobicContact CB-CB 3.83Å; L166-A176 HydrophobicContact CD1-CB 4.28Å; L166-V179 HydrophobicContact CD1-CB 3.82Å; L166-V179 HydrophobicContact CD1-CG1 3.6Å; L166-I187 HydrophobicContact CD1-CG2 4.14Å; L166-I187 HydrophobicContact CG-CG2 4.13Å; L166-R189 PolarHBondContact N-O 2.86Å; L166-I190 HydrophobicContact CB-CG1 4.16Å; L166-I190 HydrophobicContact CD1-CD1 4.44Å; L166-I190 HydrophobicContact CD1-CG1 4.15Å; L166-I190 HydrophobicContact CG-CG1 4.45Å; L166-I190 CarbonylContact O-C 3.58Å; L166-I190 VanDerWaalsContact O-CA 3.31Å; L166-I190 WeakPolarHBondContact O-CA 3.13Å; L166-T191 PolarHBondContact O-N 3.18Å
167	I	98.9	Very high	97.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	103.6	-179.1	-58	164.2	0	0	0	106.9	V89 I91 L107 L111 T191 L193 Y272	V89-I167 PolarHBondContact O-N 2.89Å; I91-I167 PolarHBondContact N-O 3.39Å; L107-I167 HydrophobicContact CD2-CG2 4.34Å; L111-I167 HydrophobicContact CD1-CD1 3.71Å; L111-I167 HydrophobicContact CD2-CD1 3.81Å; L111-I167 HydrophobicContact CG-CD1 4.4Å; I167-T191 WeakPolarHBondContact CA-O 3.18Å; I167-L193 HydrophobicContact CG2-CD1 3.67Å; I167-L193 HydrophobicContact CG2-CG 4.23Å; I167-Y272 HydrophobicContact CD1-CE1 4.16Å; I167-Y272 HydrophobicContact CG2-CE1 4.32Å
168	G	98.8	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.5	-175.2	0	0	0	0	0	111.8	I91 G172 T191 L193	I91-G168 WeakPolarHBondContact O-CA 3.5Å; G168-G172 VanDerWaalsContact CA-C 3.48Å; G168-G172 WeakPolarHBondContact CA-O 3.45Å; G168-T191 PolarHBondContact N-O 2.84Å; G168-L193 PolarHBondContact O-N 3.38Å
169	V	98.6	Very high	98.3	Very high	5 Å²	5	18.2 Å²	18.2	3%	0.03	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.6	175.4	-178.3	0	0	0	0	109.4	I91 G93 W103 L171 G172 L193 L269	I91-V169 PolarHBondContact O-N 3.38Å; G93-V169 VanDerWaalsContact CA-O 3.26Å; G93-V169 WeakPolarHBondContact CA-O 3.48Å; G93-V169 PolarHBondContact N-O 3.5Å; W103-V169 HydrophobicContact CH2-CB 4.08Å; W103-V169 HydrophobicContact CH2-CG2 3.58Å; W103-V169 HydrophobicContact CZ2-CB 4.15Å; W103-V169 HydrophobicContact CZ2-CG1 4.35Å; W103-V169 HydrophobicContact CZ2-CG2 4.04Å; W103-V169 HydrophobicContact CZ3-CG2 4Å; V169-L171 PolarHBondContact O-N 2.93Å; V169-G172 WeakPolarHBondContact O-CA 3.34Å; V169-G172 PolarHBondContact O-N 3.19Å; V169-L193 WeakPolarHBondContact CA-O 3.45Å; V169-L193 HydrophobicContact CG2-CB 4.07Å; V169-L193 HydrophobicContact CG2-CD1 3.85Å; V169-L193 HydrophobicContact CG2-CG 4.5Å; V169-L269 HydrophobicContact CG2-CD1 4.35Å
170	S	97.9	Very high	98.5	Very high	14 Å²	14	18 Å²	18	10%	0.098	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	-123.7	177	-171.7	0	0	0	0	111.8	G172 A173 L193 D194 A196 H265	S170-G172 PolarHBondContact O-N 3.44Å; S170-A173 VanDerWaalsContact O-CB 3.27Å; S170-A173 WeakPolarHBondContact O-CB 3.34Å; S170-A173 PolarHBondContact O-N 2.96Å; S170-L193 PolarHBondContact N-O 3.12Å; S170-D194 VanDerWaalsContact CA-O 3.3Å; S170-D194 WeakPolarHBondContact CA-O 3.12Å; S170-A196 PolarHBondContact O-N 3.29Å; S170-H265 WeakPolarHBondContact CB-NE2 3.44Å; S170-H265 PolarHBondContact OG-CE1 3.05Å; S170-H265 PolarHBondContact OG-NE2 2.86Å
171	L	97.9	Very high	98.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-56.8	-29.3	174.6	-175.5	54.3	0	0	0	112.9	F94 W124 V136 V169 A173 H174 V175 F200	F94-L171 HydrophobicContact CB-CD2 4.48Å; W124-L171 HydrophobicContact CH2-CD2 3.64Å; W124-L171 HydrophobicContact CH2-CG 3.87Å; W124-L171 HydrophobicContact CZ2-CG 4.39Å; W124-L171 HydrophobicContact CZ3-CD2 4.47Å; V136-L171 HydrophobicContact CG2-CD1 4.09Å; V169-L171 PolarHBondContact O-N 2.93Å; L171-A173 PolarHBondContact O-N 3.33Å; L171-H174 PolarHBondContact O-N 2.84Å; L171-H174 VanDerWaalsContact O-N 3.14Å; L171-V175 PolarHBondContact O-N 3.48Å; L171-F200 HydrophobicContact CD1-CE2 3.44Å; L171-F200 VanDerWaalsContact CD1-CE2 3.44Å; L171-F200 HydrophobicContact CD1-CZ 3.48Å; L171-F200 VanDerWaalsContact CD1-CZ 3.48Å
172	G	98.5	Very high	98.4	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.9	-22.5	176	0	0	0	0	0	113.8	H92 G168 V169 S170 H174 V175 A176	H92-G172 WeakPolarHBondContact O-CA 3.47Å; G168-G172 VanDerWaalsContact CA-C 3.48Å; G168-G172 WeakPolarHBondContact CA-O 3.45Å; V169-G172 WeakPolarHBondContact O-CA 3.34Å; V169-G172 PolarHBondContact O-N 3.19Å; S170-G172 PolarHBondContact O-N 3.44Å; G172-H174 VanDerWaalsContact C-N 3.34Å; G172-V175 PolarHBondContact O-N 3.28Å; G172-A176 PolarHBondContact O-N 3.2Å
173	A	98.8	Very high	98.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-66.1	-36.8	173.6	0	0	0	0	0	112	S170 L171 A176 G177 P195 L209	S170-A173 VanDerWaalsContact O-CB 3.27Å; S170-A173 WeakPolarHBondContact O-CB 3.34Å; S170-A173 PolarHBondContact O-N 2.96Å; L171-A173 PolarHBondContact O-N 3.33Å; A173-A176 WeakPolarHBondContact O-CB 3.36Å; A173-A176 PolarHBondContact O-N 3.01Å; A173-G177 PolarHBondContact O-N 3.24Å; A173-P195 HydrophobicContact CB-CB 3.63Å; A173-P195 HydrophobicContact CB-CG 3.79Å; A173-L209 HydrophobicContact CB-CD2 4.29Å
174	H	98.7	Very high	98.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-77.1	-32	176.5	-59.4	-48.4	0	0	0	112.4	Y139 L171 G172 A176 G177 F178 A196 F200 L209	Y139-H174 HydrophobicContact CD2-CB 4.35Å; L171-H174 PolarHBondContact O-N 2.84Å; L171-H174 VanDerWaalsContact O-N 3.14Å; G172-H174 VanDerWaalsContact C-N 3.34Å; H174-A176 VanDerWaalsContact C-N 3.31Å; H174-G177 PolarHBondContact O-N 3.4Å; H174-F178 WeakPolarHBondContact O-CB 3.44Å; H174-F178 PolarHBondContact O-N 2.05Å; H174-A196 PolarHBondContact NE2-N 2.7Å; H174-A196 PolarHBondContact NE2-O 3.42Å; H174-F200 HydrophobicContact CB-CD1 4.01Å; H174-F200 HydrophobicContact CB-CE1 3.58Å; H174-F200 HydrophobicContact CB-CZ 3.89Å; H174-F200 AromaticContact CD2-CD1 3.54Å; H174-F200 AromaticContact CD2-CD2 3.25Å; H174-F200 WeakPolarHBondContact CD2-CD2 3.07Å; H174-F200 AromaticContact CD2-CE1 3.72Å; H174-F200 AromaticContact CD2-CE2 3.47Å; H174-F200 VanDerWaalsContact CD2-CE2 3.47Å; H174-F200 WeakPolarHBondContact CD2-CE2 3.42Å; H174-F200 AromaticContact CD2-CG 3.3Å; H174-F200 WeakPolarHBondContact CD2-CG 3.44Å; H174-F200 AromaticContact CD2-CZ 3.69Å; H174-F200 AromaticContact CE1-CG 3.9Å; H174-F200 AromaticContact CG-CD1 3.52Å; H174-F200 AromaticContact CG-CE1 3.6Å; H174-F200 AromaticContact CG-CG 3.78Å; H174-F200 AromaticContact CG-CZ 3.94Å; H174-F200 AromaticContact ND1-CD1 3.92Å; H174-F200 AromaticContact NE2-CD1 3.97Å; H174-F200 AromaticContact NE2-CD2 3.58Å; H174-F200 AromaticContact NE2-CG 3.42Å; H174-F200 WeakPolarHBondContact NE2-CG 3.4Å; H174-L209 PolarHBondContact ND1-N 3.46Å
175	V	98.7	Very high	98.4	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57.7	-47.9	166.7	177.1	0	0	0	0	109.9	I91 W124 V142 A143 I146 L171 G172 F178 V179	I91-V175 HydrophobicContact CD1-CG1 4.33Å; I91-V175 HydrophobicContact CG2-CB 3.95Å; I91-V175 HydrophobicContact CG2-CG1 3.87Å; I91-V175 HydrophobicContact CG2-CG2 4.46Å; W124-V175 HydrophobicContact CZ2-CG2 4.31Å; V142-V175 HydrophobicContact CB-CG1 4.21Å; V142-V175 HydrophobicContact CB-CG2 4.46Å; V142-V175 HydrophobicContact CG1-CG1 3.74Å; V142-V175 HydrophobicContact CG1-CG2 4.43Å; A143-V175 HydrophobicContact CB-CG1 4.08Å; I146-V175 HydrophobicContact CD1-CG1 3.48Å; I146-V175 VanDerWaalsContact CD1-CG1 3.48Å; L171-V175 PolarHBondContact O-N 3.48Å; G172-V175 PolarHBondContact O-N 3.28Å; V175-F178 PolarHBondContact O-N 3.45Å; V175-V179 WeakPolarHBondContact O-CG2 3.39Å; V175-V179 PolarHBondContact O-N 3.07Å
176	A	98.8	Very high	98.4	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.7	-44.7	177.3	0	0	0	0	0	112.6	I91 L166 G172 A173 H174 V179 G180 I190	I91-A176 HydrophobicContact CD1-CB 3.9Å; L166-A176 HydrophobicContact CB-CB 3.83Å; L166-A176 HydrophobicContact CD1-CB 4.28Å; G172-A176 PolarHBondContact O-N 3.2Å; A173-A176 WeakPolarHBondContact O-CB 3.36Å; A173-A176 PolarHBondContact O-N 3.01Å; H174-A176 VanDerWaalsContact C-N 3.31Å; A176-V179 WeakPolarHBondContact O-CB 3.08Å; A176-V179 PolarHBondContact O-N 2.95Å; A176-G180 PolarHBondContact O-N 3.24Å; A176-I190 HydrophobicContact CB-CG2 3.82Å; A176-I190 WeakPolarHBondContact O-CD1 3.4Å
177	G	98.6	Very high	98.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-56.4	-51.8	175	0	0	0	0	0	111.8	A173 H174 V179 G180 T181 D213	A173-G177 PolarHBondContact O-N 3.24Å; H174-G177 PolarHBondContact O-N 3.4Å; G177-V179 VanDerWaalsContact C-N 3.32Å; G177-V179 PolarHBondContact O-N 3.41Å; G177-G180 CarbonylContact O-C 3.59Å; G177-G180 VanDerWaalsContact O-CA 3.24Å; G177-G180 WeakPolarHBondContact O-CA 3.41Å; G177-G180 PolarHBondContact O-N 2.89Å; G177-T181 PolarHBondContact O-N 2.93Å; G177-T181 PolarHBondContact O-OG1 3.41Å; G177-D213 WeakPolarHBondContact CA-OD2 3.27Å
178	F	98.4	Very high	98.3	Very high	40 Å²	40	21.9 Å²	21.9	18%	0.175	11%	0.112	C	C	.	.	H	α-helix	trans	-64.7	-32.8	-178.6	-157.8	-99	0	0	0	113.4	Y139 K140 A143 H174 V175 G180 T181 M182	Y139-F178 HydrophobicContact CD2-CB 4.38Å; Y139-F178 HydrophobicContact CE2-CB 4.08Å; Y139-F178 HydrophobicContact CE2-CD2 4.07Å; Y139-F178 HydrophobicContact CE2-CG 4.13Å; K140-F178 HydrophobicContact CB-CD1 4.41Å; K140-F178 HydrophobicContact CB-CE1 4.05Å; K140-F178 HydrophobicContact CB-CZ 4.38Å; K140-F178 HydrophobicContact CD-CE2 4.23Å; K140-F178 HydrophobicContact CD-CZ 4Å; K140-F178 HydrophobicContact CG-CD1 4.36Å; K140-F178 HydrophobicContact CG-CD2 4.49Å; K140-F178 HydrophobicContact CG-CE1 4.06Å; K140-F178 HydrophobicContact CG-CE2 4.2Å; K140-F178 HydrophobicContact CG-CZ 3.97Å; A143-F178 HydrophobicContact CB-CB 3.88Å; A143-F178 HydrophobicContact CB-CD1 3.68Å; A143-F178 HydrophobicContact CB-CG 4.25Å; H174-F178 WeakPolarHBondContact O-CB 3.44Å; H174-F178 PolarHBondContact O-N 2.05Å; V175-F178 PolarHBondContact O-N 3.45Å; F178-G180 VanDerWaalsContact C-N 3.34Å; F178-T181 PolarHBondContact O-N 3.38Å; F178-M182 HydrophobicContact CD1-CE 3.77Å; F178-M182 HydrophobicContact CE1-CE 4.17Å; F178-M182 PolarHBondContact O-N 2.93Å; F178-M182 VanDerWaalsContact O-N 3.14Å
179	V	98.7	Very high	98.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-58.6	-49	167.1	172.3	0	0	0	0	110	A143 I146 L166 V175 A176 G177 T181 M182 F183	A143-V179 HydrophobicContact CB-CG2 3.8Å; A143-V179 WeakPolarHBondContact O-CG2 3.07Å; I146-V179 HydrophobicContact CB-CG2 3.81Å; I146-V179 HydrophobicContact CD1-CG2 4.22Å; I146-V179 HydrophobicContact CG2-CG1 4.26Å; I146-V179 HydrophobicContact CG2-CG2 3.81Å; L166-V179 HydrophobicContact CD1-CB 3.82Å; L166-V179 HydrophobicContact CD1-CG1 3.6Å; V175-V179 WeakPolarHBondContact O-CG2 3.39Å; V175-V179 PolarHBondContact O-N 3.07Å; A176-V179 WeakPolarHBondContact O-CB 3.08Å; A176-V179 PolarHBondContact O-N 2.95Å; G177-V179 VanDerWaalsContact C-N 3.32Å; G177-V179 PolarHBondContact O-N 3.41Å; V179-T181 PolarHBondContact O-N 2.97Å; V179-M182 WeakPolarHBondContact O-CB 3.24Å; V179-M182 PolarHBondContact O-N 3.28Å; V179-F183 HydrophobicContact CG1-CD2 4Å; V179-F183 HydrophobicContact CG1-CE2 3.98Å; V179-F183 VanDerWaalsContact O-CD2 3.24Å; V179-F183 WeakPolarHBondContact O-CD2 3.26Å; V179-F183 PolarHBondContact O-N 3.5Å
180	G	98.4	Very high	98.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-55.8	-46.3	175.9	0	0	0	0	0	114.1	A176 G177 F178 M182 F183 E184 G185 D213	A176-G180 PolarHBondContact O-N 3.24Å; G177-G180 CarbonylContact O-C 3.59Å; G177-G180 VanDerWaalsContact O-CA 3.24Å; G177-G180 WeakPolarHBondContact O-CA 3.41Å; G177-G180 PolarHBondContact O-N 2.89Å; F178-G180 VanDerWaalsContact C-N 3.34Å; G180-M182 VanDerWaalsContact C-N 3.32Å; G180-M182 PolarHBondContact O-N 3.2Å; G180-F183 CarbonylContact O-C 3.5Å; G180-F183 PolarHBondContact O-N 3.23Å; G180-E184 PolarHBondContact O-N 3.3Å; G180-G185 PolarHBondContact O-N 3.04Å; G180-D213 CarbonylContact C-O 3.54Å; G180-D213 WeakPolarHBondContact CA-O 3.19Å
181	T	97.6	Very high	98.4	Very high	51 Å²	51	22 Å²	22	31%	0.313	11%	0.11	S	C	.	.	H	α-helix	trans	-55.6	-44.9	174.4	-46.8	0	0	0	0	111.8	G177 F178 V179 F183 E184 D213	G177-T181 PolarHBondContact O-N 2.93Å; G177-T181 PolarHBondContact O-OG1 3.41Å; F178-T181 PolarHBondContact O-N 3.38Å; V179-T181 PolarHBondContact O-N 2.97Å; T181-F183 PolarHBondContact O-N 3.05Å; T181-E184 PolarHBondContact O-N 2.88Å; T181-D213 PolarHBondContact OG1-OD1 3.14Å
182	M	97.9	Very high	98.4	Very high	70 Å²	70	22 Å²	22	35%	0.345	11%	0.11	S	C	.	.	H	α-helix	trans	-64.8	-23.7	178.4	-77.4	-171.8	-85.3	0	0	113.9	A143 L144 S147 F178 V179 G180	A143-M182 HydrophobicContact CB-CE 3.8Å; A143-M182 WeakPolarHBondContact O-CE 3.16Å; L144-M182 HydrophobicContact CD1-SD 4.11Å; S147-M182 WeakPolarHBondContact OG-CE 3.28Å; F178-M182 HydrophobicContact CD1-CE 3.77Å; F178-M182 HydrophobicContact CE1-CE 4.17Å; F178-M182 PolarHBondContact O-N 2.93Å; F178-M182 VanDerWaalsContact O-N 3.14Å; V179-M182 WeakPolarHBondContact O-CB 3.24Å; V179-M182 PolarHBondContact O-N 3.28Å; G180-M182 VanDerWaalsContact C-N 3.32Å; G180-M182 PolarHBondContact O-N 3.2Å
183	F	98.1	Very high	98.4	Very high	18 Å²	18	22 Å²	22	8%	0.079	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	16	173.3	-71.4	-72.9	0	0	0	112.9	S147 V150 N151 L161 V179 G180 T181 G185 K186 I187	S147-F183 WeakPolarHBondContact O-CZ 3.42Å; S147-F183 WeakPolarHBondContact OG-CE2 3.45Å; V150-F183 HydrophobicContact CB-CE2 3.81Å; V150-F183 HydrophobicContact CB-CZ 3.68Å; V150-F183 HydrophobicContact CG1-CD2 4.46Å; V150-F183 HydrophobicContact CG1-CE1 4.19Å; V150-F183 HydrophobicContact CG1-CE2 3.67Å; V150-F183 HydrophobicContact CG1-CZ 3.51Å; N151-F183 HydrophobicContact CB-CE1 4.2Å; N151-F183 HydrophobicContact CB-CZ 4.11Å; L161-F183 HydrophobicContact CD1-CB 4.46Å; L161-F183 HydrophobicContact CD1-CD1 3.88Å; L161-F183 HydrophobicContact CD1-CG 4.44Å; L161-F183 HydrophobicContact CD2-CD1 3.85Å; L161-F183 HydrophobicContact CD2-CE1 3.93Å; L161-F183 HydrophobicContact CD2-CG 4.36Å; V179-F183 HydrophobicContact CG1-CD2 4Å; V179-F183 HydrophobicContact CG1-CE2 3.98Å; V179-F183 VanDerWaalsContact O-CD2 3.24Å; V179-F183 WeakPolarHBondContact O-CD2 3.26Å; V179-F183 PolarHBondContact O-N 3.5Å; G180-F183 CarbonylContact O-C 3.5Å; G180-F183 PolarHBondContact O-N 3.23Å; T181-F183 PolarHBondContact O-N 3.05Å; F183-G185 PolarHBondContact O-N 3.43Å; F183-K186 VanDerWaalsContact O-CB 3.25Å; F183-K186 WeakPolarHBondContact O-CB 3.39Å; F183-K186 WeakPolarHBondContact O-CD 3.31Å; F183-K186 VanDerWaalsContact O-CG 3.28Å; F183-K186 WeakPolarHBondContact O-CG 3.45Å; F183-K186 PolarHBondContact O-N 3.12Å; F183-I187 HydrophobicContact CB-CD1 4.35Å; F183-I187 HydrophobicContact CB-CG1 4.12Å; F183-I187 HydrophobicContact CD2-CD1 3.84Å; F183-I187 HydrophobicContact CD2-CG1 4.14Å; F183-I187 HydrophobicContact CE2-CD1 4.44Å; F183-I187 HydrophobicContact CG-CD1 4.18Å; F183-I187 HydrophobicContact CG-CG1 4.42Å
184	E	97.5	Very high	98.4	Very high	147 Å²	147	22 Å²	22	69%	0.687	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	38.2	178.5	-54	160.1	-108.6	0	0	112.7	G180 T181 K186	G180-E184 PolarHBondContact O-N 3.3Å; T181-E184 PolarHBondContact O-N 2.88Å; E184-K186 VanDerWaalsContact C-N 3.26Å; E184-K186 PolarHBondContact O-N 3.05Å; E184-K186 IonicContact OE1-NZ 3.1Å; E184-K186 PolarHBondContact OE1-NZ 3.25Å; E184-K186 IonicContact OE2-NZ 3.97Å; E184-K186 PolarHBondContact OE2-NZ 3.46Å
185	G	97.3	Very high	98.4	Very high	10 Å²	10	22 Å²	22	10%	0.103	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	9.4	179.1	0	0	0	0	0	115.3	G180 F183 I187 T212 A214 L215	G180-G185 PolarHBondContact O-N 3.04Å; F183-G185 PolarHBondContact O-N 3.43Å; G185-I187 VanDerWaalsContact C-N 3.3Å; G185-I187 PolarHBondContact O-N 3.17Å; G185-T212 WeakPolarHBondContact CA-O 3.26Å; G185-A214 CarbonylContact O-C 3.57Å; G185-A214 WeakPolarHBondContact O-CA 3.38Å; G185-L215 PolarHBondContact O-N 2.84Å; G185-L215 VanDerWaalsContact O-N 3.14Å
186	K	98.4	Very high	98.4	Very high	91 Å²	91	22.1 Å²	22.1	40%	0.396	11%	0.111	S	C	.	.			trans	-81.7	-4.3	-175.9	-62.8	166.1	-168.7	154.9	0	114	L161 F183 E184	L161-K186 CarbonylContact C-O 3.46Å; L161-K186 HydrophobicContact CB-CB 4.44Å; L161-K186 VanDerWaalsContact CB-O 3.31Å; L161-K186 WeakPolarHBondContact CB-O 3.48Å; L161-K186 HydrophobicContact CD1-CB 3.78Å; F183-K186 VanDerWaalsContact O-CB 3.25Å; F183-K186 WeakPolarHBondContact O-CB 3.39Å; F183-K186 WeakPolarHBondContact O-CD 3.31Å; F183-K186 VanDerWaalsContact O-CG 3.28Å; F183-K186 WeakPolarHBondContact O-CG 3.45Å; F183-K186 PolarHBondContact O-N 3.12Å; E184-K186 VanDerWaalsContact C-N 3.26Å; E184-K186 PolarHBondContact O-N 3.05Å; E184-K186 IonicContact OE1-NZ 3.1Å; E184-K186 PolarHBondContact OE1-NZ 3.25Å; E184-K186 IonicContact OE2-NZ 3.97Å; E184-K186 PolarHBondContact OE2-NZ 3.46Å
187	I	98.6	Very high	98.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-64.2	139.5	173.3	-65.5	-63.1	0	0	0	109.6	V150 L161 F164 L166 F183 G185 I190 A214 L215	V150-I187 HydrophobicContact CG1-CD1 4.25Å; L161-I187 HydrophobicContact CD2-CD1 4.21Å; F164-I187 HydrophobicContact CB-CD1 4.35Å; F164-I187 HydrophobicContact CB-CG2 4.38Å; L166-I187 HydrophobicContact CD1-CG2 4.14Å; L166-I187 HydrophobicContact CG-CG2 4.13Å; F183-I187 HydrophobicContact CB-CD1 4.35Å; F183-I187 HydrophobicContact CB-CG1 4.12Å; F183-I187 HydrophobicContact CD2-CD1 3.84Å; F183-I187 HydrophobicContact CD2-CG1 4.14Å; F183-I187 HydrophobicContact CE2-CD1 4.44Å; F183-I187 HydrophobicContact CG-CD1 4.18Å; F183-I187 HydrophobicContact CG-CG1 4.42Å; G185-I187 VanDerWaalsContact C-N 3.3Å; G185-I187 PolarHBondContact O-N 3.17Å; I187-I190 HydrophobicContact CG2-CG1 4.33Å; I187-A214 HydrophobicContact CB-CB 4.21Å; I187-A214 HydrophobicContact CG2-CB 4.36Å; I187-A214 CarbonylContact O-C 3.45Å; I187-A214 WeakPolarHBondContact O-CA 3.34Å; I187-A214 VanDerWaalsContact O-CB 3.27Å; I187-A214 WeakPolarHBondContact O-CB 3.12Å; I187-L215 PolarHBondContact O-N 2.84Å
188	G	98.3	Very high	98.2	Very high	13 Å²	13	25.1 Å²	25.1	13%	0.134	13%	0.132	C	C	.	.	S	Bend	trans	-61.1	-49.6	-175.9	0	0	0	0	0	114.3	L161 E162 F164 F216	L161-G188 PolarHBondContact O-N 2.92Å; E162-G188 WeakPolarHBondContact O-CA 3.31Å; F164-G188 WeakPolarHBondContact O-CA 3.32Å; F164-G188 PolarHBondContact O-N 3.24Å; G188-F216 PolarHBondContact O-N 3.04Å
189	R	98.7	Very high	98	Very high	21 Å²	21	29 Å²	29	8%	0.079	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	144.6	178.1	-176.3	171.4	174.4	-174.7	-9.3	112.8	F164 H165 L166 T191 F216 D218 G312 Q314	F164-R189 PolarHBondContact O-N 2.84Å; F164-R189 VanDerWaalsContact O-N 3.08Å; H165-R189 CarbonylContact C-O 3.47Å; H165-R189 VanDerWaalsContact CA-O 3.25Å; H165-R189 WeakPolarHBondContact CA-O 3.43Å; H165-R189 HydrophobicContact CB-CB 4.32Å; L166-R189 PolarHBondContact N-O 2.86Å; R189-T191 PolarHBondContact NE-OG1 3.46Å; R189-F216 CarbonylContact C-O 3.56Å; R189-F216 WeakPolarHBondContact CA-O 3.44Å; R189-F216 HydrophobicContact CG-CD1 4.18Å; R189-D218 IonicContact CZ-OD1 2.84Å; R189-D218 IonicContact CZ-OD2 2.73Å; R189-D218 IonicContact NE-OD1 2.8Å; R189-D218 PolarHBondContact NE-OD1 3.02Å; R189-D218 IonicContact NE-OD2 2.91Å; R189-D218 IonicContact NH2-OD1 3.46Å; R189-D218 PolarHBondContact NH2-OD1 2.84Å; R189-D218 VanDerWaalsContact NH2-OD1 3.14Å; R189-D218 IonicContact NH2-OD2 3.67Å; R189-D218 PolarHBondContact NH2-OD2 3.4Å; R189-G312 VanDerWaalsContact CZ-O 3.29Å; R189-G312 PolarHBondContact NH1-O 3.46Å; R189-G312 PolarHBondContact NH2-O 2.7Å; R189-Q314 PolarHBondContact NH1-O 3.37Å; R189-Q314 VanDerWaalsContact NH1-O 3.16Å
190	I	98.9	Very high	98	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.4	162.9	-62.9	165.7	0	0	0	109	L166 A176 I187 L209 D213 A214 F216 V217 D218	L166-I190 HydrophobicContact CB-CG1 4.16Å; L166-I190 HydrophobicContact CD1-CD1 4.44Å; L166-I190 HydrophobicContact CD1-CG1 4.15Å; L166-I190 HydrophobicContact CG-CG1 4.45Å; L166-I190 CarbonylContact O-C 3.58Å; L166-I190 VanDerWaalsContact O-CA 3.31Å; L166-I190 WeakPolarHBondContact O-CA 3.13Å; A176-I190 HydrophobicContact CB-CG2 3.82Å; A176-I190 WeakPolarHBondContact O-CD1 3.4Å; I187-I190 HydrophobicContact CG2-CG1 4.33Å; I190-L209 HydrophobicContact CB-CD1 4.43Å; I190-L209 HydrophobicContact CD1-CD1 4.4Å; I190-L209 HydrophobicContact CG2-CD1 3.65Å; I190-L209 HydrophobicContact CG2-CD2 4.49Å; I190-D213 HydrophobicContact CD1-CB 3.59Å; I190-A214 HydrophobicContact CB-CB 4.35Å; I190-A214 HydrophobicContact CD1-CB 3.82Å; I190-A214 HydrophobicContact CG1-CB 3.81Å; I190-F216 PolarHBondContact N-O 3.18Å; I190-V217 HydrophobicContact CB-CG1 4.35Å; I190-V217 HydrophobicContact CB-CG2 4.27Å; I190-V217 VanDerWaalsContact O-CA 3.29Å; I190-V217 WeakPolarHBondContact O-CA 3.12Å; I190-D218 PolarHBondContact O-N 3.29Å
191	T	98.9	Very high	97.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.1	168.5	-58.4	0	0	0	0	109.6	H165 L166 I167 G168 R189 L193 D218 Y272	H165-T191 PolarHBondContact NE2-OG1 3.09Å; L166-T191 PolarHBondContact O-N 3.18Å; I167-T191 WeakPolarHBondContact CA-O 3.18Å; G168-T191 PolarHBondContact N-O 2.84Å; R189-T191 PolarHBondContact NE-OG1 3.46Å; T191-L193 HydrophobicContact CG2-CD2 3.8Å; T191-L193 HydrophobicContact CG2-CG 4.34Å; T191-D218 CarbonylContact C-O 3.57Å; T191-D218 VanDerWaalsContact CA-O 3.23Å; T191-D218 WeakPolarHBondContact CA-O 3.04Å; T191-D218 PolarHBondContact OG1-OD1 3.42Å; T191-Y272 HydrophobicContact CG2-CD2 4.24Å; T191-Y272 HydrophobicContact CG2-CE2 3.88Å
192	G	98.9	Very high	97.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	114.4	174.4	0	0	0	0	0	111.2	D218 A219 I220	G192-D218 PolarHBondContact N-O 3.13Å; G192-A219 CarbonylContact O-C 3.57Å; G192-A219 VanDerWaalsContact O-CA 3.31Å; G192-A219 WeakPolarHBondContact O-CA 3.23Å; G192-I220 PolarHBondContact O-N 3.08Å
193	L	98.9	Very high	97.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	101	177.5	-57	177.9	0	0	0	108.8	I167 G168 V169 S170 T191 I220 A268 L269 Y272	I167-L193 HydrophobicContact CG2-CD1 3.67Å; I167-L193 HydrophobicContact CG2-CG 4.23Å; G168-L193 PolarHBondContact O-N 3.38Å; V169-L193 WeakPolarHBondContact CA-O 3.45Å; V169-L193 HydrophobicContact CG2-CB 4.07Å; V169-L193 HydrophobicContact CG2-CD1 3.85Å; V169-L193 HydrophobicContact CG2-CG 4.5Å; S170-L193 PolarHBondContact N-O 3.12Å; T191-L193 HydrophobicContact CG2-CD2 3.8Å; T191-L193 HydrophobicContact CG2-CG 4.34Å; L193-I220 HydrophobicContact CD2-CB 4.43Å; L193-I220 HydrophobicContact CD2-CD1 3.64Å; L193-I220 HydrophobicContact CD2-CG1 4.21Å; L193-A268 HydrophobicContact CB-CB 4.2Å; L193-L269 HydrophobicContact CD1-CD1 3.89Å; L193-Y272 HydrophobicContact CD1-CD1 4.18Å; L193-Y272 HydrophobicContact CD1-CG 4.34Å; L193-Y272 HydrophobicContact CD2-CD1 4.42Å; L193-Y272 HydrophobicContact CD2-CD2 4.07Å; L193-Y272 HydrophobicContact CD2-CG 3.83Å
194	D	98.8	Very high	97.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	44.3	66.7	-171.6	-140.7	8.1	0	0	0	113.3	S170 A196 I220 T222 D223 H265 A268	S170-D194 VanDerWaalsContact CA-O 3.3Å; S170-D194 WeakPolarHBondContact CA-O 3.12Å; D194-A196 PolarHBondContact O-N 2.99Å; D194-I220 WeakPolarHBondContact CA-O 3.1Å; D194-I220 PolarHBondContact N-O 3.23Å; D194-T222 VanDerWaalsContact CG-OG1 3.22Å; D194-T222 PolarHBondContact OD1-N 3.31Å; D194-T222 PolarHBondContact OD2-N 2.85Å; D194-T222 PolarHBondContact OD2-OG1 2.86Å; D194-D223 PolarHBondContact OD1-N 3.37Å; D194-D223 VanDerWaalsContact OD2-CB 3.25Å; D194-D223 WeakPolarHBondContact OD2-CB 3.49Å; D194-D223 PolarHBondContact OD2-N 2.94Å; D194-H265 PolarHBondContact O-CE1 3.1Å; D194-H265 VanDerWaalsContact O-CE1 3.24Å; D194-H265 VanDerWaalsContact OD2-CA 3.29Å; D194-H265 WeakPolarHBondContact OD2-CA 3.5Å; D194-H265 IonicContact OD2-ND1 3.44Å; D194-H265 PolarHBondContact OD2-ND1 2.04Å; D194-A268 HydrophobicContact CB-CB 3.89Å
195	P	98.8	Very high	97.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.208	C	C	.	.			trans	-54.9	140.4	-176.7	-22.4	34	0	0	0	111.4	A173 G197 L209 G228 I229 V233	A173-P195 HydrophobicContact CB-CB 3.63Å; A173-P195 HydrophobicContact CB-CG 3.79Å; P195-G197 PolarHBondContact O-N 3.28Å; P195-L209 HydrophobicContact CG-CD2 4.11Å; P195-G228 CarbonylContact O-C 3.57Å; P195-G228 WeakPolarHBondContact O-CA 2.97Å; P195-I229 HydrophobicContact CB-CG2 3.8Å; P195-I229 HydrophobicContact CG-CG2 4.33Å; P195-I229 WeakPolarHBondContact O-CB 3.24Å; P195-I229 WeakPolarHBondContact O-CG2 3.48Å; P195-I229 PolarHBondContact O-N 3.47Å; P195-V233 HydrophobicContact CG-CG2 4.04Å
196	A	98.3	Very high	97	Very high	2 Å²	2	37.3 Å²	37.3	2%	0.017	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-66.1	128.9	-171.7	0	0	0	0	0	113	S170 H174 D194 F200 F227	S170-A196 PolarHBondContact O-N 3.29Å; H174-A196 PolarHBondContact NE2-N 2.7Å; H174-A196 PolarHBondContact NE2-O 3.42Å; D194-A196 PolarHBondContact O-N 2.99Å; A196-F200 HydrophobicContact CB-CD2 4.41Å; A196-F200 WeakPolarHBondContact O-CB 3.31Å; A196-F200 WeakPolarHBondContact O-CD2 3.3Å; A196-F227 CarbonylContact C-O 3.57Å; A196-F227 WeakPolarHBondContact CA-O 3.48Å
197	G	97.5	Very high	96.8	Very high	7 Å²	7	35.2 Å²	35.2	7%	0.072	22%	0.217	C	C	.	.			trans	-74.1	-50.2	177.4	0	0	0	0	0	114.7	P195 M199 F200 K201 F227	P195-G197 PolarHBondContact O-N 3.28Å; G197-M199 PolarHBondContact O-N 3.37Å; G197-F200 PolarHBondContact O-N 2.81Å; G197-F200 VanDerWaalsContact O-N 3.09Å; G197-K201 PolarHBondContact O-N 2.82Å; G197-F227 PolarHBondContact N-O 3.48Å
198	P	95.5	Very high	96.8	Very high	57 Å²	57	36.5 Å²	36.5	37%	0.37	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	130.6	-175.4	-26	35.2	0	0	0	112.4	Y132 F200 F227	Y132-P198 HydrophobicContact CD1-CB 4.46Å; Y132-P198 HydrophobicContact CE1-CB 3.68Å; Y132-P198 PolarHBondContact OH-O 3.23Å; P198-F200 VanDerWaalsContact O-CD2 3.29Å; P198-F200 WeakPolarHBondContact O-CD2 3.03Å; P198-F200 PolarHBondContact O-N 2.91Å; P198-F227 WeakPolarHBondContact CD-O 3.43Å
199	M	94.5	Very high	96.8	Very high	120 Å²	120	35.9 Å²	35.9	59%	0.591	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.9	-17.5	-173.1	-53.7	-71	-71.2	0	0	116.3	Y132 V136 G197	Y132-M199 HydrophobicContact CE1-CG 4.1Å; V136-M199 HydrophobicContact CG1-CE 4.41Å; V136-M199 HydrophobicContact CG1-CG 4.17Å; V136-M199 HydrophobicContact CG2-CB 4.1Å; V136-M199 HydrophobicContact CG2-CG 4.2Å; G197-M199 PolarHBondContact O-N 3.37Å
200	F	97.3	Very high	96.7	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.018	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-29.6	-175.9	-63.2	-81.8	0	0	0	114.2	V136 Y139 L171 H174 A196 G197 P198 G202 A203 D207 R208 I229	V136-F200 HydrophobicContact CG2-CE2 3.6Å; V136-F200 HydrophobicContact CG2-CZ 3.82Å; Y139-F200 HydrophobicContact CD1-CE1 4.37Å; Y139-F200 HydrophobicContact CD1-CZ 4.18Å; Y139-F200 HydrophobicContact CE1-CE1 4.01Å; Y139-F200 HydrophobicContact CE1-CZ 4.21Å; Y139-F200 HydrophobicContact CE2-CE1 4.23Å; Y139-F200 HydrophobicContact CG-CZ 4.37Å; Y139-F200 AromaticContact CZ-CE1 3.93Å; L171-F200 HydrophobicContact CD1-CE2 3.44Å; L171-F200 VanDerWaalsContact CD1-CE2 3.44Å; L171-F200 HydrophobicContact CD1-CZ 3.48Å; L171-F200 VanDerWaalsContact CD1-CZ 3.48Å; H174-F200 HydrophobicContact CB-CD1 4.01Å; H174-F200 HydrophobicContact CB-CE1 3.58Å; H174-F200 HydrophobicContact CB-CZ 3.89Å; H174-F200 AromaticContact CD2-CD1 3.54Å; H174-F200 AromaticContact CD2-CD2 3.25Å; H174-F200 WeakPolarHBondContact CD2-CD2 3.07Å; H174-F200 AromaticContact CD2-CE1 3.72Å; H174-F200 AromaticContact CD2-CE2 3.47Å; H174-F200 VanDerWaalsContact CD2-CE2 3.47Å; H174-F200 WeakPolarHBondContact CD2-CE2 3.42Å; H174-F200 AromaticContact CD2-CG 3.3Å; H174-F200 WeakPolarHBondContact CD2-CG 3.44Å; H174-F200 AromaticContact CD2-CZ 3.69Å; H174-F200 AromaticContact CE1-CG 3.9Å; H174-F200 AromaticContact CG-CD1 3.52Å; H174-F200 AromaticContact CG-CE1 3.6Å; H174-F200 AromaticContact CG-CG 3.78Å; H174-F200 AromaticContact CG-CZ 3.94Å; H174-F200 AromaticContact ND1-CD1 3.92Å; H174-F200 AromaticContact NE2-CD1 3.97Å; H174-F200 AromaticContact NE2-CD2 3.58Å; H174-F200 AromaticContact NE2-CG 3.42Å; H174-F200 WeakPolarHBondContact NE2-CG 3.4Å; A196-F200 HydrophobicContact CB-CD2 4.41Å; A196-F200 WeakPolarHBondContact O-CB 3.31Å; A196-F200 WeakPolarHBondContact O-CD2 3.3Å; G197-F200 PolarHBondContact O-N 2.81Å; G197-F200 VanDerWaalsContact O-N 3.09Å; P198-F200 VanDerWaalsContact O-CD2 3.29Å; P198-F200 WeakPolarHBondContact O-CD2 3.03Å; P198-F200 PolarHBondContact O-N 2.91Å; F200-G202 PolarHBondContact O-N 3.23Å; F200-G202 VanDerWaalsContact O-N 3.14Å; F200-A203 WeakPolarHBondContact O-CB 3.48Å; F200-A203 PolarHBondContact O-N 3.42Å; F200-D207 VanDerWaalsContact CD1-O 3.24Å; F200-D207 WeakPolarHBondContact CD1-O 3.45Å; F200-D207 WeakPolarHBondContact CE1-O 3.16Å; F200-R208 HydrophobicContact CB-CB 4.16Å; F200-R208 HydrophobicContact CD1-CB 3.96Å; F200-R208 WeakPolarHBondContact O-CD 3.24Å; F200-I229 HydrophobicContact CB-CD1 4.24Å
201	K	95.3	Very high	96.7	Very high	112 Å²	112	35.8 Å²	35.8	49%	0.487	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-36.1	-177.8	-178	174.2	176.1	171.2	0	114.1	G197 I229 S230 I231	G197-K201 PolarHBondContact O-N 2.82Å; K201-I229 HydrophobicContact CB-CD1 4.49Å; K201-I229 HydrophobicContact CB-CG1 4.15Å; K201-S230 WeakPolarHBondContact CE-OG 3.24Å; K201-S230 PolarHBondContact NZ-OG 3.19Å; K201-I231 HydrophobicContact CG-CG2 4.44Å
202	G	94	Very high	96.6	Very high	79 Å²	79	40 Å²	40	81%	0.814	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103	5.8	177.7	0	0	0	0	0	114	F200	F200-G202 PolarHBondContact O-N 3.23Å; F200-G202 VanDerWaalsContact O-N 3.14Å
203	A	95.1	Very high	96.6	Very high	27 Å²	27	40.1 Å²	40.1	22%	0.223	24%	0.244	C	C	.	.	S	Bend	trans	-78.3	155	178.8	0	0	0	0	0	111.1	F200 D207 R208	F200-A203 WeakPolarHBondContact O-CB 3.48Å; F200-A203 PolarHBondContact O-N 3.42Å; A203-D207 HydrophobicContact CB-CB 4.18Å; A203-R208 PolarHBondContact O-NE 3.27Å
204	D	95.5	Very high	96.6	Very high	115 Å²	115	40.4 Å²	40.4	62%	0.615	25%	0.246	S	C	*	.			trans	-60.2	152.8	171.8	-70.4	-36.9	0	0	0	110.6	S206 D207 R208	D204-S206 PolarHBondContact O-N 2.76Å; D204-S206 VanDerWaalsContact O-N 3.11Å; D204-D207 PolarHBondContact O-N 2.92Å; D204-R208 PolarHBondContact O-N 3.11Å
205	T	95	Very high	96.6	Very high	71 Å²	71	44.8 Å²	44.8	44%	0.436	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-57.8	-27.5	-179	51.8	0	0	0	0	112.8	D207 D210	T205-D207 VanDerWaalsContact C-N 3.3Å; T205-D207 PolarHBondContact O-N 3.02Å; T205-D210 WeakPolarHBondContact CB-OD2 3.43Å; T205-D210 VanDerWaalsContact CG2-OD2 3.25Å; T205-D210 WeakPolarHBondContact CG2-OD2 3.48Å
206	S	92.6	Very high	96.5	Very high	63 Å²	63	45 Å²	45	44%	0.441	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-75.2	-12.7	174.7	55.4	0	0	0	0	115	D204	D204-S206 PolarHBondContact O-N 2.76Å; D204-S206 VanDerWaalsContact O-N 3.11Å
207	D	93.9	Very high	96.6	Very high	48 Å²	48	44.9 Å²	44.9	26%	0.257	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-113.7	13.3	-177.6	-80.3	-38.8	0	0	0	112.3	Y139 K140 F200 A203 D204 T205	Y139-D207 PolarHBondContact OH-O 2.98Å; Y139-D207 VanDerWaalsContact OH-O 3.07Å; Y139-D207 PolarHBondContact OH-OD1 2.85Å; K140-D207 VanDerWaalsContact CE-OD1 3.23Å; K140-D207 WeakPolarHBondContact CE-OD1 3.05Å; K140-D207 IonicContact NZ-OD1 2.9Å; K140-D207 PolarHBondContact NZ-OD1 3.16Å; F200-D207 VanDerWaalsContact CD1-O 3.24Å; F200-D207 WeakPolarHBondContact CD1-O 3.45Å; F200-D207 WeakPolarHBondContact CE1-O 3.16Å; A203-D207 HydrophobicContact CB-CB 4.18Å; D204-D207 PolarHBondContact O-N 2.92Å; T205-D207 VanDerWaalsContact C-N 3.3Å; T205-D207 PolarHBondContact O-N 3.02Å
208	R	97.3	Very high	96.6	Very high	26 Å²	26	44.6 Å²	44.6	10%	0.098	27%	0.265	C	S	.	.	S	Bend	trans	-146	-179.2	175	65.2	179.6	176.8	79	-7.3	109.9	F200 A203 D204	F200-R208 HydrophobicContact CB-CB 4.16Å; F200-R208 HydrophobicContact CD1-CB 3.96Å; F200-R208 WeakPolarHBondContact O-CD 3.24Å; A203-R208 PolarHBondContact O-NE 3.27Å; D204-R208 PolarHBondContact O-N 3.11Å
209	L	98.7	Very high	96.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.248	C	C	.	.			trans	-70.4	135.4	171	179.7	62.7	0	0	0	108.6	A173 H174 I190 P195 V217 V233	A173-L209 HydrophobicContact CB-CD2 4.29Å; H174-L209 PolarHBondContact ND1-N 3.46Å; I190-L209 HydrophobicContact CB-CD1 4.43Å; I190-L209 HydrophobicContact CD1-CD1 4.4Å; I190-L209 HydrophobicContact CG2-CD1 3.65Å; I190-L209 HydrophobicContact CG2-CD2 4.49Å; P195-L209 HydrophobicContact CG-CD2 4.11Å; L209-V217 HydrophobicContact CD1-CG1 3.91Å; L209-V217 HydrophobicContact CD2-CG1 4.24Å; L209-V217 HydrophobicContact CG-CG1 4.15Å; L209-V233 HydrophobicContact CB-CB 4.25Å; L209-V233 HydrophobicContact CB-CG2 4.4Å; L209-V233 HydrophobicContact CD2-CB 4.44Å; L209-V233 HydrophobicContact CD2-CG2 3.82Å; L209-V233 HydrophobicContact CG-CB 4.22Å; L209-V233 HydrophobicContact CG-CG2 4.14Å; L209-V233 WeakPolarHBondContact O-CB 3.5Å
210	D	98.2	Very high	97	Very high	13 Å²	13	36.1 Å²	36.1	7%	0.07	22%	0.22	C	C	.	.			trans	-145.3	153.5	-178.7	-174.4	-95.5	0	0	0	111.3	T205 T212 D213 V233	T205-D210 WeakPolarHBondContact CB-OD2 3.43Å; T205-D210 VanDerWaalsContact CG2-OD2 3.25Å; T205-D210 WeakPolarHBondContact CG2-OD2 3.48Å; D210-T212 PolarHBondContact O-N 3.1Å; D210-T212 VanDerWaalsContact O-N 3.08Å; D210-T212 WeakPolarHBondContact OD1-CB 3.31Å; D210-T212 WeakPolarHBondContact OD1-CG2 3.29Å; D210-T212 PolarHBondContact OD1-N 3.28Å; D210-T212 PolarHBondContact OD1-OG1 2.7Å; D210-D213 PolarHBondContact N-OD2 3.41Å; D210-D213 WeakPolarHBondContact O-CB 3.22Å; D210-D213 PolarHBondContact O-N 2.68Å; D210-D213 VanDerWaalsContact O-N 3.08Å; D210-V233 CarbonylContact C-O 3.59Å; D210-V233 VanDerWaalsContact CA-O 3.3Å; D210-V233 WeakPolarHBondContact CA-O 3.44Å
211	P	98.2	Very high	97.1	Very high	6 Å²	6	36 Å²	36	4%	0.039	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-56.7	-26.6	177.5	-24	34.2	0	0	0	113.5	D213 V233 G234 H235 Q326	P211-D213 PolarHBondContact O-N 3.5Å; P211-V233 WeakPolarHBondContact CD-O 3.33Å; P211-G234 WeakPolarHBondContact CG-O 3.48Å; P211-H235 PolarHBondContact O-CE1 3.08Å; P211-Q326 WeakPolarHBondContact CB-O 3.41Å; P211-Q326 VanDerWaalsContact CG-O 3.31Å; P211-Q326 WeakPolarHBondContact CG-O 3.09Å
212	T	97.6	Very high	97.2	Very high	90 Å²	90	30.6 Å²	30.6	55%	0.552	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-72.6	-9.7	180	59.7	0	0	0	0	114.6	G185 D210 A214	G185-T212 WeakPolarHBondContact CA-O 3.26Å; D210-T212 PolarHBondContact O-N 3.1Å; D210-T212 VanDerWaalsContact O-N 3.08Å; D210-T212 WeakPolarHBondContact OD1-CB 3.31Å; D210-T212 WeakPolarHBondContact OD1-CG2 3.29Å; D210-T212 PolarHBondContact OD1-N 3.28Å; D210-T212 PolarHBondContact OD1-OG1 2.7Å; T212-A214 VanDerWaalsContact C-N 3.3Å; T212-A214 PolarHBondContact O-N 2.84Å
213	D	98.6	Very high	97.4	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.011	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-75.9	-13.8	-176	-67.4	-33.9	0	0	0	114	G177 G180 T181 I190 D210 P211	G177-D213 WeakPolarHBondContact CA-OD2 3.27Å; G180-D213 CarbonylContact C-O 3.54Å; G180-D213 WeakPolarHBondContact CA-O 3.19Å; T181-D213 PolarHBondContact OG1-OD1 3.14Å; I190-D213 HydrophobicContact CD1-CB 3.59Å; D210-D213 PolarHBondContact N-OD2 3.41Å; D210-D213 WeakPolarHBondContact O-CB 3.22Å; D210-D213 PolarHBondContact O-N 2.68Å; D210-D213 VanDerWaalsContact O-N 3.08Å; P211-D213 PolarHBondContact O-N 3.5Å
214	A	98.4	Very high	97.4	Very high	6 Å²	6	26.1 Å²	26.1	5%	0.05	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-153.6	167.8	176.8	0	0	0	0	0	112.1	G185 I187 I190 T212 F216 V217 H235	G185-A214 CarbonylContact O-C 3.57Å; G185-A214 WeakPolarHBondContact O-CA 3.38Å; I187-A214 HydrophobicContact CB-CB 4.21Å; I187-A214 HydrophobicContact CG2-CB 4.36Å; I187-A214 CarbonylContact O-C 3.45Å; I187-A214 WeakPolarHBondContact O-CA 3.34Å; I187-A214 VanDerWaalsContact O-CB 3.27Å; I187-A214 WeakPolarHBondContact O-CB 3.12Å; I190-A214 HydrophobicContact CB-CB 4.35Å; I190-A214 HydrophobicContact CD1-CB 3.82Å; I190-A214 HydrophobicContact CG1-CB 3.81Å; T212-A214 VanDerWaalsContact C-N 3.3Å; T212-A214 PolarHBondContact O-N 2.84Å; A214-F216 WeakPolarHBondContact CB-O 3.31Å; A214-F216 PolarHBondContact O-N 2.98Å; A214-F216 VanDerWaalsContact O-N 3.14Å; A214-V217 HydrophobicContact CB-CG2 3.84Å; A214-H235 PolarHBondContact O-CE1 3.34Å
215	L	97.6	Very high	97.3	Very high	92 Å²	92	24 Å²	24	48%	0.482	14%	0.139	S	C	.	.	S	Bend	trans	-59	-25.6	171.1	-60.3	-176.7	0	0	0	112.4	E162 G185 I187	E162-L215 HydrophobicContact CB-CD1 4.14Å; E162-L215 HydrophobicContact CG-CD1 3.61Å; G185-L215 PolarHBondContact O-N 2.84Å; G185-L215 VanDerWaalsContact O-N 3.14Å; I187-L215 PolarHBondContact O-N 2.84Å
216	F	98.3	Very high	97.2	Very high	5 Å²	5	24.3 Å²	24.3	2%	0.022	14%	0.135	C	C	.	.			trans	-151.9	136	169.5	-172.4	-106.8	0	0	0	110.6	G188 R189 I190 A214 D218 H235 V236 K316 S317 I319 V324	G188-F216 PolarHBondContact O-N 3.04Å; R189-F216 CarbonylContact C-O 3.56Å; R189-F216 WeakPolarHBondContact CA-O 3.44Å; R189-F216 HydrophobicContact CG-CD1 4.18Å; I190-F216 PolarHBondContact N-O 3.18Å; A214-F216 WeakPolarHBondContact CB-O 3.31Å; A214-F216 PolarHBondContact O-N 2.98Å; A214-F216 VanDerWaalsContact O-N 3.14Å; F216-D218 HydrophobicContact CE1-CB 3.78Å; F216-D218 HydrophobicContact CZ-CB 4.28Å; F216-H235 HydrophobicContact CD2-CB 4.07Å; F216-H235 HydrophobicContact CE2-CB 3.87Å; F216-V236 HydrophobicContact CE2-CG2 4.21Å; F216-V236 HydrophobicContact CZ-CB 4.41Å; F216-V236 HydrophobicContact CZ-CG2 4.01Å; F216-K316 HydrophobicContact CB-CG 4.34Å; F216-K316 HydrophobicContact CD2-CB 3.91Å; F216-K316 HydrophobicContact CD2-CG 3.87Å; F216-K316 HydrophobicContact CE2-CB 3.91Å; F216-K316 HydrophobicContact CE2-CG 4.38Å; F216-K316 HydrophobicContact CG-CB 4.27Å; F216-K316 HydrophobicContact CG-CG 4.08Å; F216-K316 HydrophobicContact CZ-CB 4.27Å; F216-S317 VanDerWaalsContact CE1-OG 3.29Å; F216-S317 WeakPolarHBondContact CE1-OG 3.44Å; F216-S317 WeakPolarHBondContact CZ-OG 3.2Å; F216-I319 HydrophobicContact CE2-CD1 4.08Å; F216-V324 HydrophobicContact CD2-CG1 4.05Å; F216-V324 HydrophobicContact CE2-CG1 3.99Å
217	V	98.8	Very high	97.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	125.4	178.8	-176.9	0	0	0	0	107.2	I190 L209 A214 G234 H235 V236	I190-V217 HydrophobicContact CB-CG1 4.35Å; I190-V217 HydrophobicContact CB-CG2 4.27Å; I190-V217 VanDerWaalsContact O-CA 3.29Å; I190-V217 WeakPolarHBondContact O-CA 3.12Å; L209-V217 HydrophobicContact CD1-CG1 3.91Å; L209-V217 HydrophobicContact CD2-CG1 4.24Å; L209-V217 HydrophobicContact CG-CG1 4.15Å; A214-V217 HydrophobicContact CB-CG2 3.84Å; V217-G234 CarbonylContact O-C 3.54Å; V217-H235 PolarHBondContact N-ND1 2.94Å; V217-H235 WeakPolarHBondContact O-CB 3.49Å; V217-H235 PolarHBondContact O-N 3.08Å; V217-V236 PolarHBondContact O-N 3.34Å
218	D	98.8	Very high	97.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	138.1	170.9	62.8	-50.3	0	0	0	110.8	R189 I190 T191 G192 F216 V236 F238	R189-D218 IonicContact CZ-OD1 2.84Å; R189-D218 IonicContact CZ-OD2 2.73Å; R189-D218 IonicContact NE-OD1 2.8Å; R189-D218 PolarHBondContact NE-OD1 3.02Å; R189-D218 IonicContact NE-OD2 2.91Å; R189-D218 IonicContact NH2-OD1 3.46Å; R189-D218 PolarHBondContact NH2-OD1 2.84Å; R189-D218 VanDerWaalsContact NH2-OD1 3.14Å; R189-D218 IonicContact NH2-OD2 3.67Å; R189-D218 PolarHBondContact NH2-OD2 3.4Å; I190-D218 PolarHBondContact O-N 3.29Å; T191-D218 CarbonylContact C-O 3.57Å; T191-D218 VanDerWaalsContact CA-O 3.23Å; T191-D218 WeakPolarHBondContact CA-O 3.04Å; T191-D218 PolarHBondContact OG1-OD1 3.42Å; G192-D218 PolarHBondContact N-O 3.13Å; F216-D218 HydrophobicContact CE1-CB 3.78Å; F216-D218 HydrophobicContact CZ-CB 4.28Å; D218-V236 VanDerWaalsContact CA-O 3.29Å; D218-V236 WeakPolarHBondContact CA-O 3.44Å; D218-F238 HydrophobicContact CB-CE2 4.32Å
219	A	98.8	Very high	97.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.5	-179.9	0	0	0	0	0	110.7	G192 V233 V236 D237 F238	G192-A219 CarbonylContact O-C 3.57Å; G192-A219 VanDerWaalsContact O-CA 3.31Å; G192-A219 WeakPolarHBondContact O-CA 3.23Å; A219-V233 HydrophobicContact CB-CG2 3.56Å; A219-V236 PolarHBondContact N-O 3Å; A219-D237 CarbonylContact O-C 3.6Å; A219-D237 WeakPolarHBondContact O-CA 3.33Å; A219-F238 PolarHBondContact O-N 2.81Å
220	I	98.9	Very high	97.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	115.8	177.9	-53.4	180	0	0	0	107.1	G192 L193 D194 T222 F238 L240 A268 Y272 I311	G192-I220 PolarHBondContact O-N 3.08Å; L193-I220 HydrophobicContact CD2-CB 4.43Å; L193-I220 HydrophobicContact CD2-CD1 3.64Å; L193-I220 HydrophobicContact CD2-CG1 4.21Å; D194-I220 WeakPolarHBondContact CA-O 3.1Å; D194-I220 PolarHBondContact N-O 3.23Å; I220-T222 HydrophobicContact CG2-CG2 4.43Å; I220-F238 HydrophobicContact CG1-CB 4.49Å; I220-F238 HydrophobicContact CG1-CD2 4.46Å; I220-L240 HydrophobicContact CG2-CD1 3.61Å; I220-L240 HydrophobicContact CG2-CD2 4.47Å; I220-A268 HydrophobicContact CB-CB 3.97Å; I220-A268 HydrophobicContact CG2-CB 3.73Å; I220-Y272 HydrophobicContact CD1-CD2 3.98Å; I220-I311 HydrophobicContact CD1-CD1 4.12Å; I220-I311 HydrophobicContact CD1-CG1 4.25Å; I220-I311 HydrophobicContact CD1-CG2 3.62Å; I220-I311 HydrophobicContact CG1-CD1 4.48Å
221	H	98.8	Very high	97.4	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.2	-176.7	-61.5	-99.8	0	0	0	109.6	I229 I231 D237 F238 F239 L240 G243	H221-I229 PolarHBondContact CE1-O 2.82Å; H221-I229 PolarHBondContact ND1-O 3.12Å; H221-I231 PolarHBondContact CE1-O 2.83Å; H221-D237 IonicContact NE2-OD1 3.71Å; H221-D237 PolarHBondContact NE2-OD1 3.26Å; H221-F238 PolarHBondContact N-O 3.39Å; H221-F239 HydrophobicContact CB-CD1 3.74Å; H221-F239 HydrophobicContact CB-CE1 3.82Å; H221-F239 HydrophobicContact CB-CG 4.26Å; H221-F239 HydrophobicContact CB-CZ 4.41Å; H221-F239 AromaticContact CD2-CE2 3.98Å; H221-F239 AromaticContact CD2-CZ 3.84Å; H221-F239 AromaticContact CG-CE1 3.73Å; H221-F239 AromaticContact CG-CZ 3.88Å; H221-L240 PolarHBondContact O-N 2.98Å; H221-G243 WeakPolarHBondContact O-CA 3.44Å
222	T	98.6	Very high	97.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.	S	Bend	trans	-133.3	-18	-177.1	42.8	0	0	0	0	114.8	D194 I220 L240 G243 M244 Q246 D264 R267 A268	D194-T222 VanDerWaalsContact CG-OG1 3.22Å; D194-T222 PolarHBondContact OD1-N 3.31Å; D194-T222 PolarHBondContact OD2-N 2.85Å; D194-T222 PolarHBondContact OD2-OG1 2.86Å; I220-T222 HydrophobicContact CG2-CG2 4.43Å; T222-L240 HydrophobicContact CG2-CB 3.95Å; T222-L240 HydrophobicContact CG2-CD2 4.13Å; T222-G243 CarbonylContact C-O 3.54Å; T222-G243 CarbonylContact O-C 3.5Å; T222-M244 CarbonylContact O-C 3.57Å; T222-Q246 HydrophobicContact CG2-CG 4.28Å; T222-Q246 WeakPolarHBondContact O-CG 3.01Å; T222-Q246 PolarHBondContact O-NE2 3.29Å; T222-D264 WeakPolarHBondContact CB-O 3.4Å; T222-D264 PolarHBondContact OG1-O 2.97Å; T222-R267 HydrophobicContact CG2-CB 3.8Å; T222-R267 HydrophobicContact CG2-CG 3.9Å; T222-A268 HydrophobicContact CG2-CB 4.11Å; T222-A268 WeakPolarHBondContact OG1-CB 3.34Å; T222-A268 PolarHBondContact OG1-N 3.12Å
223	D	97.4	Very high	97.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.			trans	-139.3	46.2	-178.3	-173.5	38.1	0	0	0	112.7	D194 D225 H226 F227 G228 G243 V261 D264 H265	D194-D223 PolarHBondContact OD1-N 3.37Å; D194-D223 VanDerWaalsContact OD2-CB 3.25Å; D194-D223 WeakPolarHBondContact OD2-CB 3.49Å; D194-D223 PolarHBondContact OD2-N 2.94Å; D223-D225 PolarHBondContact O-N 2.84Å; D223-D225 VanDerWaalsContact O-N 3.13Å; D223-H226 PolarHBondContact O-N 3.05Å; D223-H226 VanDerWaalsContact O-N 3.13Å; D223-H226 WeakPolarHBondContact OD1-CB 3.31Å; D223-H226 IonicContact OD1-CG 2.97Å; D223-H226 IonicContact OD1-ND1 2.99Å; D223-H226 PolarHBondContact OD1-ND1 3.27Å; D223-F227 PolarHBondContact O-N 2.88Å; D223-F227 WeakPolarHBondContact OD2-CA 3.23Å; D223-F227 VanDerWaalsContact OD2-CB 3.24Å; D223-F227 WeakPolarHBondContact OD2-CB 3.31Å; D223-F227 PolarHBondContact OD2-N 3.26Å; D223-G228 VanDerWaalsContact O-CA 3.32Å; D223-G228 WeakPolarHBondContact O-CA 3.41Å; D223-G228 PolarHBondContact O-N 3.37Å; D223-G243 PolarHBondContact N-O 3.03Å; D223-V261 VanDerWaalsContact OD2-CG1 3.27Å; D223-V261 WeakPolarHBondContact OD2-CG1 3.38Å; D223-D264 HydrophobicContact CB-CB 3.92Å; D223-H265 HydrophobicContact CB-CB 4.06Å
224	S	95.4	Very high	97.4	Very high	11 Å²	11	21.5 Å²	21.5	8%	0.077	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-10.4	-171.3	-65.3	0	0	0	0	115.6	I229 S230 G243	S224-I229 PolarHBondContact OG-O 3.06Å; S224-S230 VanDerWaalsContact O-CB 3.31Å; S224-S230 WeakPolarHBondContact O-CB 3.46Å; S224-S230 PolarHBondContact O-OG 3.35Å; S224-S230 VanDerWaalsContact O-OG 3.06Å; S224-G243 WeakPolarHBondContact CB-O 3.31Å; S224-G243 PolarHBondContact N-O 3.44Å; S224-G243 PolarHBondContact OG-O 3.03Å
225	D	93.6	Very high	97.4	Very high	72 Å²	72	22.3 Å²	22.3	39%	0.385	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-7.2	177	67.5	-29	0	0	0	113.2	D223 M244	D223-D225 PolarHBondContact O-N 2.84Å; D223-D225 VanDerWaalsContact O-N 3.13Å; D225-M244 HydrophobicContact CB-CB 4.49Å; D225-M244 HydrophobicContact CB-CG 4.15Å; D225-M244 HydrophobicContact CB-SD 4.41Å
226	H	93.4	Very high	97.5	Very high	76 Å²	76	18 Å²	18	35%	0.352	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.8	-90.5	174.3	-55.5	78.9	0	0	0	113	D223 V261	D223-H226 PolarHBondContact O-N 3.05Å; D223-H226 VanDerWaalsContact O-N 3.13Å; D223-H226 WeakPolarHBondContact OD1-CB 3.31Å; D223-H226 IonicContact OD1-CG 2.97Å; D223-H226 IonicContact OD1-ND1 2.99Å; D223-H226 PolarHBondContact OD1-ND1 3.27Å; H226-V261 HydrophobicContact CB-CG1 3.54Å; H226-V261 HydrophobicContact CB-CG2 4.29Å
227	F	95.5	Very high	97.5	Very high	75 Å²	75	17.7 Å²	17.7	33%	0.329	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-28.2	-172.8	-63.5	-20.2	0	0	0	113.9	A196 G197 P198 D223 Y258 V261 I262 H265	A196-F227 CarbonylContact C-O 3.57Å; A196-F227 WeakPolarHBondContact CA-O 3.48Å; G197-F227 PolarHBondContact N-O 3.48Å; P198-F227 WeakPolarHBondContact CD-O 3.43Å; D223-F227 PolarHBondContact O-N 2.88Å; D223-F227 WeakPolarHBondContact OD2-CA 3.23Å; D223-F227 VanDerWaalsContact OD2-CB 3.24Å; D223-F227 WeakPolarHBondContact OD2-CB 3.31Å; D223-F227 PolarHBondContact OD2-N 3.26Å; F227-Y258 HydrophobicContact CZ-CD1 4.5Å; F227-V261 HydrophobicContact CD1-CG1 3.93Å; F227-V261 HydrophobicContact CD2-CG1 3.48Å; F227-V261 VanDerWaalsContact CD2-CG1 3.48Å; F227-V261 HydrophobicContact CE1-CG1 3.87Å; F227-V261 HydrophobicContact CE2-CB 4.24Å; F227-V261 HydrophobicContact CE2-CG1 3.42Å; F227-V261 VanDerWaalsContact CE2-CG1 3.42Å; F227-V261 HydrophobicContact CG-CG1 3.74Å; F227-V261 HydrophobicContact CZ-CB 4.4Å; F227-V261 HydrophobicContact CZ-CG1 3.62Å; F227-I262 HydrophobicContact CE2-CG1 4.15Å; F227-H265 HydrophobicContact CB-CB 4.48Å; F227-H265 HydrophobicContact CD2-CB 4.13Å
228	G	97.6	Very high	97.5	Very high	3 Å²	3	17.7 Å²	17.7	3%	0.031	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-79.2	155.1	179.9	0	0	0	0	0	113.7	P195 D223	P195-G228 CarbonylContact O-C 3.57Å; P195-G228 WeakPolarHBondContact O-CA 2.97Å; D223-G228 VanDerWaalsContact O-CA 3.32Å; D223-G228 WeakPolarHBondContact O-CA 3.41Å; D223-G228 PolarHBondContact O-N 3.37Å
229	I	97.9	Very high	97.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.			trans	-78.1	128.8	174.7	-164.1	169.1	0	0	0	109.9	P195 F200 K201 H221 S224 I231 V233	P195-I229 HydrophobicContact CB-CG2 3.8Å; P195-I229 HydrophobicContact CG-CG2 4.33Å; P195-I229 WeakPolarHBondContact O-CB 3.24Å; P195-I229 WeakPolarHBondContact O-CG2 3.48Å; P195-I229 PolarHBondContact O-N 3.47Å; F200-I229 HydrophobicContact CB-CD1 4.24Å; K201-I229 HydrophobicContact CB-CD1 4.49Å; K201-I229 HydrophobicContact CB-CG1 4.15Å; H221-I229 PolarHBondContact CE1-O 2.82Å; H221-I229 PolarHBondContact ND1-O 3.12Å; S224-I229 PolarHBondContact OG-O 3.06Å; I229-I231 HydrophobicContact CD1-CD1 4.09Å; I229-I231 HydrophobicContact CD1-CG1 3.64Å; I229-I231 HydrophobicContact CG1-CG1 3.63Å; I229-V233 HydrophobicContact CD1-CG1 3.96Å; I229-V233 HydrophobicContact CG2-CG1 4Å
230	S	96.9	Very high	97.5	Very high	44 Å²	44	18.3 Å²	18.3	31%	0.308	10%	0.096	S	C	.	.			trans	-86.2	-8.4	-177.7	9.1	0	0	0	0	114.6	K201 S224	K201-S230 WeakPolarHBondContact CE-OG 3.24Å; K201-S230 PolarHBondContact NZ-OG 3.19Å; S224-S230 VanDerWaalsContact O-CB 3.31Å; S224-S230 WeakPolarHBondContact O-CB 3.46Å; S224-S230 PolarHBondContact O-OG 3.35Å; S224-S230 VanDerWaalsContact O-OG 3.06Å
231	I	96.9	Very high	97.4	Very high	47 Å²	47	19 Å²	19	24%	0.241	10%	0.1	C	C	.	.	S	Bend	trans	-95	146.3	176.5	60	165	0	0	0	109.5	K201 H221 I229 V233	K201-I231 HydrophobicContact CG-CG2 4.44Å; H221-I231 PolarHBondContact CE1-O 2.83Å; I229-I231 HydrophobicContact CD1-CD1 4.09Å; I229-I231 HydrophobicContact CD1-CG1 3.64Å; I229-I231 HydrophobicContact CG1-CG1 3.63Å; I231-V233 HydrophobicContact CG1-CG1 4.47Å
232	P	97.9	Very high	97.4	Very high	20 Å²	20	19.4 Å²	19.4	13%	0.13	10%	0.104	C	C	.	.			trans	-61	144.1	169.9	28.1	-37.5	0	0	0	111.3	D237 Q327 K329	P232-D237 WeakPolarHBondContact CA-OD1 3.11Å; P232-D237 HydrophobicContact CB-CB 4.17Å; P232-D237 VanDerWaalsContact CB-CG 3.44Å; P232-D237 WeakPolarHBondContact CB-OD2 3.21Å; P232-Q327 HydrophobicContact CB-CG 3.69Å; P232-Q327 VanDerWaalsContact CG-CD 3.44Å; P232-Q327 HydrophobicContact CG-CG 4.07Å; P232-K329 HydrophobicContact CB-CG 4.46Å
233	V	98.3	Very high	97.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.			trans	-137.9	-3.6	-175.5	-61.5	0	0	0	0	113.1	P195 L209 D210 P211 A219 I229 I231 D237	P195-V233 HydrophobicContact CG-CG2 4.04Å; L209-V233 HydrophobicContact CB-CB 4.25Å; L209-V233 HydrophobicContact CB-CG2 4.4Å; L209-V233 HydrophobicContact CD2-CB 4.44Å; L209-V233 HydrophobicContact CD2-CG2 3.82Å; L209-V233 HydrophobicContact CG-CB 4.22Å; L209-V233 HydrophobicContact CG-CG2 4.14Å; L209-V233 WeakPolarHBondContact O-CB 3.5Å; D210-V233 CarbonylContact C-O 3.59Å; D210-V233 VanDerWaalsContact CA-O 3.3Å; D210-V233 WeakPolarHBondContact CA-O 3.44Å; P211-V233 WeakPolarHBondContact CD-O 3.33Å; A219-V233 HydrophobicContact CB-CG2 3.56Å; I229-V233 HydrophobicContact CD1-CG1 3.96Å; I229-V233 HydrophobicContact CG2-CG1 4Å; I231-V233 HydrophobicContact CG1-CG1 4.47Å; V233-D237 PolarHBondContact N-OD1 2.7Å
234	G	98.3	Very high	97.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	-120.2	172.5	179.8	0	0	0	0	0	114	P211 V217 V236 D237 Q327	P211-G234 WeakPolarHBondContact CG-O 3.48Å; V217-G234 CarbonylContact O-C 3.54Å; G234-V236 PolarHBondContact O-N 3.2Å; G234-D237 PolarHBondContact N-OD1 2.8Å; G234-D237 PolarHBondContact N-OD2 2.94Å; G234-D237 VanDerWaalsContact O-OD2 3.06Å; G234-Q327 WeakPolarHBondContact O-CG 3.15Å
235	H	98.4	Very high	97.1	Very high	24 Å²	24	25.8 Å²	25.8	11%	0.111	14%	0.136	C	C	.	.	S	Bend	trans	-62.4	-36.7	166.2	-66	90.9	0	0	0	110.5	P211 A214 F216 V217 V324 Q328	P211-H235 PolarHBondContact O-CE1 3.08Å; A214-H235 PolarHBondContact O-CE1 3.34Å; F216-H235 HydrophobicContact CD2-CB 4.07Å; F216-H235 HydrophobicContact CE2-CB 3.87Å; V217-H235 PolarHBondContact N-ND1 2.94Å; V217-H235 WeakPolarHBondContact O-CB 3.49Å; V217-H235 PolarHBondContact O-N 3.08Å; H235-V324 HydrophobicContact CB-CG1 3.77Å; H235-Q328 PolarHBondContact O-N 3.42Å
236	V	98.4	Very high	97.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	122.2	172.8	-178.5	0	0	0	0	109.4	F216 V217 D218 A219 G234 F238 F304 P309 I319 Q328 V330	F216-V236 HydrophobicContact CE2-CG2 4.21Å; F216-V236 HydrophobicContact CZ-CB 4.41Å; F216-V236 HydrophobicContact CZ-CG2 4.01Å; V217-V236 PolarHBondContact O-N 3.34Å; D218-V236 VanDerWaalsContact CA-O 3.29Å; D218-V236 WeakPolarHBondContact CA-O 3.44Å; A219-V236 PolarHBondContact N-O 3Å; G234-V236 PolarHBondContact O-N 3.2Å; V236-F238 HydrophobicContact CB-CE2 4.31Å; V236-F238 HydrophobicContact CG1-CD2 4.03Å; V236-F238 HydrophobicContact CG1-CE1 4.34Å; V236-F238 HydrophobicContact CG1-CE2 3.58Å; V236-F238 HydrophobicContact CG1-CZ 3.77Å; V236-F304 HydrophobicContact CG2-CE1 4.41Å; V236-F304 HydrophobicContact CG2-CZ 4.39Å; V236-P309 HydrophobicContact CG1-CB 3.95Å; V236-P309 HydrophobicContact CG1-CG 3.88Å; V236-P309 HydrophobicContact CG2-CB 4.48Å; V236-I319 HydrophobicContact CG2-CD1 4.49Å; V236-Q328 WeakPolarHBondContact CA-O 3.26Å; V236-V330 HydrophobicContact CG1-CG1 4.15Å; V236-V330 HydrophobicContact CG1-CG2 3.74Å
237	D	98.8	Very high	97.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	109.2	178.9	-59.3	-89.5	0	0	0	109.8	A219 H221 P232 V233 G234 F239 Q328 V330	A219-D237 CarbonylContact O-C 3.6Å; A219-D237 WeakPolarHBondContact O-CA 3.33Å; H221-D237 IonicContact NE2-OD1 3.71Å; H221-D237 PolarHBondContact NE2-OD1 3.26Å; P232-D237 WeakPolarHBondContact CA-OD1 3.11Å; P232-D237 HydrophobicContact CB-CB 4.17Å; P232-D237 VanDerWaalsContact CB-CG 3.44Å; P232-D237 WeakPolarHBondContact CB-OD2 3.21Å; V233-D237 PolarHBondContact N-OD1 2.7Å; G234-D237 PolarHBondContact N-OD1 2.8Å; G234-D237 PolarHBondContact N-OD2 2.94Å; G234-D237 VanDerWaalsContact O-OD2 3.06Å; D237-F239 HydrophobicContact CB-CD2 4.26Å; D237-F239 HydrophobicContact CB-CE2 3.61Å; D237-F239 HydrophobicContact CB-CZ 4.44Å; D237-F239 WeakPolarHBondContact O-CD2 3.2Å; D237-Q328 PolarHBondContact N-O 2.81Å; D237-V330 PolarHBondContact O-N 2.84Å
238	F	98.8	Very high	97	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	110.8	178	-63.2	-93.1	0	0	0	110.4	D218 A219 I220 H221 V236 L240 P309 I311 V330 L332	D218-F238 HydrophobicContact CB-CE2 4.32Å; A219-F238 PolarHBondContact O-N 2.81Å; I220-F238 HydrophobicContact CG1-CB 4.49Å; I220-F238 HydrophobicContact CG1-CD2 4.46Å; H221-F238 PolarHBondContact N-O 3.39Å; V236-F238 HydrophobicContact CB-CE2 4.31Å; V236-F238 HydrophobicContact CG1-CD2 4.03Å; V236-F238 HydrophobicContact CG1-CE1 4.34Å; V236-F238 HydrophobicContact CG1-CE2 3.58Å; V236-F238 HydrophobicContact CG1-CZ 3.77Å; F238-L240 HydrophobicContact CB-CD1 3.99Å; F238-P309 HydrophobicContact CE1-CB 4.21Å; F238-P309 HydrophobicContact CE1-CG 4.36Å; F238-P309 HydrophobicContact CZ-CB 3.89Å; F238-P309 HydrophobicContact CZ-CG 4.43Å; F238-I311 HydrophobicContact CB-CD1 4.29Å; F238-I311 HydrophobicContact CB-CG1 4.48Å; F238-I311 HydrophobicContact CD1-CD1 4.11Å; F238-I311 HydrophobicContact CD1-CG1 3.69Å; F238-I311 HydrophobicContact CD2-CG1 4.06Å; F238-I311 HydrophobicContact CE1-CG1 3.78Å; F238-I311 HydrophobicContact CE2-CG1 4.14Å; F238-I311 HydrophobicContact CG-CD1 4.16Å; F238-I311 HydrophobicContact CG-CG1 3.83Å; F238-I311 HydrophobicContact CZ-CG1 4Å; F238-V330 WeakPolarHBondContact CA-O 3.39Å; F238-V330 HydrophobicContact CB-CG2 4.25Å; F238-V330 HydrophobicContact CD1-CG2 3.35Å; F238-V330 HydrophobicContact CD2-CG2 4.44Å; F238-V330 HydrophobicContact CE1-CG2 3.74Å; F238-V330 HydrophobicContact CG-CG2 3.75Å; F238-V330 HydrophobicContact CZ-CG2 4.44Å; F238-L332 HydrophobicContact CB-CD2 4.16Å; F238-L332 HydrophobicContact CD1-CD2 4.1Å
239	F	98.8	Very high	96.7	Very high	13 Å²	13	21.1 Å²	21.1	6%	0.057	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	98	174.1	-71.7	-95.4	0	0	0	109.8	H221 D237 K329 V330 F331	H221-F239 HydrophobicContact CB-CD1 3.74Å; H221-F239 HydrophobicContact CB-CE1 3.82Å; H221-F239 HydrophobicContact CB-CG 4.26Å; H221-F239 HydrophobicContact CB-CZ 4.41Å; H221-F239 AromaticContact CD2-CE2 3.98Å; H221-F239 AromaticContact CD2-CZ 3.84Å; H221-F239 AromaticContact CG-CE1 3.73Å; H221-F239 AromaticContact CG-CZ 3.88Å; D237-F239 HydrophobicContact CB-CD2 4.26Å; D237-F239 HydrophobicContact CB-CE2 3.61Å; D237-F239 HydrophobicContact CB-CZ 4.44Å; D237-F239 WeakPolarHBondContact O-CD2 3.2Å; F239-K329 HydrophobicContact CD2-CB 4.29Å; F239-K329 HydrophobicContact CD2-CG 4.36Å; F239-K329 HydrophobicContact CE2-CB 4.19Å; F239-K329 HydrophobicContact CE2-CD 3.99Å; F239-K329 HydrophobicContact CE2-CG 3.78Å; F239-K329 HydrophobicContact CZ-CD 4.44Å; F239-V330 PolarHBondContact N-O 2.83Å; F239-F331 HydrophobicContact CB-CD1 3.5Å; F239-F331 HydrophobicContact CB-CE1 3.5Å; F239-F331 HydrophobicContact CD2-CE1 4.23Å; F239-F331 HydrophobicContact CG-CD1 4.36Å; F239-F331 AromaticContact CG-CE1 3.88Å; F239-F331 HydrophobicContact CG-CE1 3.88Å
240	L	98.4	Very high	95.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	125.9	-177.7	-87.1	69.5	0	0	0	110.8	I220 H221 T222 F238 G242 G243 Q246 V271 I311 L332 T334	I220-L240 HydrophobicContact CG2-CD1 3.61Å; I220-L240 HydrophobicContact CG2-CD2 4.47Å; H221-L240 PolarHBondContact O-N 2.98Å; T222-L240 HydrophobicContact CG2-CB 3.95Å; T222-L240 HydrophobicContact CG2-CD2 4.13Å; F238-L240 HydrophobicContact CB-CD1 3.99Å; L240-G242 PolarHBondContact O-N 3.14Å; L240-G242 VanDerWaalsContact O-N 3.1Å; L240-G243 WeakPolarHBondContact O-CA 3.27Å; L240-G243 PolarHBondContact O-N 2.96Å; L240-Q246 PolarHBondContact O-NE2 3.45Å; L240-Q246 PolarHBondContact O-OE1 3Å; L240-V271 HydrophobicContact CD2-CB 3.96Å; L240-V271 HydrophobicContact CD2-CG1 3.64Å; L240-V271 HydrophobicContact CD2-CG2 3.57Å; L240-I311 HydrophobicContact CD1-CD1 4.01Å; L240-L332 HydrophobicContact CD1-CD2 3.52Å; L240-L332 HydrophobicContact CD1-CG 4.22Å; L240-L332 HydrophobicContact CG-CD2 3.92Å; L240-L332 HydrophobicContact CG-CG 4.12Å; L240-T334 HydrophobicContact CD2-CG2 3.76Å; L240-T334 HydrophobicContact CG-CG2 4.05Å
241	N	97.9	Very high	94.3	Very high	14 Å²	14	29.3 Å²	29.3	8%	0.075	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	52.3	32.2	-176.3	-50.8	-59.6	0	0	0	111.8	G243 Q246 Y290 L332 L333 T334	N241-G243 VanDerWaalsContact C-N 3.32Å; N241-Q246 PolarHBondContact ND2-OE1 3.26Å; N241-Y290 VanDerWaalsContact C-OH 3.28Å; N241-Y290 PolarHBondContact O-OH 2.85Å; N241-L332 PolarHBondContact N-O 2.86Å; N241-L333 WeakPolarHBondContact OD1-CA 3.45Å; N241-T334 PolarHBondContact ND2-OG1 3.49Å; N241-T334 PolarHBondContact OD1-N 2.85Å
242	G	97.3	Very high	92.4	Very high	9 Å²	9	29.6 Å²	29.6	9%	0.093	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	87	-3.5	-175.1	0	0	0	0	0	115	L240 Y290	L240-G242 PolarHBondContact O-N 3.14Å; L240-G242 VanDerWaalsContact O-N 3.1Å; G242-Y290 VanDerWaalsContact CA-CD1 3.47Å; G242-Y290 VanDerWaalsContact CA-CD2 3.45Å
243	G	97	Very high	90.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	79.2	19.9	175.8	0	0	0	0	0	114.7	H221 T222 D223 S224 L240 N241	H221-G243 WeakPolarHBondContact O-CA 3.44Å; T222-G243 CarbonylContact C-O 3.54Å; T222-G243 CarbonylContact O-C 3.5Å; D223-G243 PolarHBondContact N-O 3.03Å; S224-G243 WeakPolarHBondContact CB-O 3.31Å; S224-G243 PolarHBondContact N-O 3.44Å; S224-G243 PolarHBondContact OG-O 3.03Å; L240-G243 WeakPolarHBondContact O-CA 3.27Å; L240-G243 PolarHBondContact O-N 2.96Å; N241-G243 VanDerWaalsContact C-N 3.32Å
244	M	94.7	Very high	88.1	Confident	81 Å²	81	50 Å²	50	40%	0.399	26%	0.257	S	S	.	.	S	Bend	trans	-123.3	-75.5	-178.2	-60.4	176.4	-64.4	0	0	111.1	T222 D225	T222-M244 CarbonylContact O-C 3.57Å; D225-M244 HydrophobicContact CB-CB 4.49Å; D225-M244 HydrophobicContact CB-CG 4.15Å; D225-M244 HydrophobicContact CB-SD 4.41Å
245	D	94.4	Very high	86.1	Confident	63 Å²	63	52.3 Å²	52.3	34%	0.337	28%	0.276	S	S	.	.	S	Bend	trans	-103.7	113.7	-173.1	-65.1	-19.9	0	0	0	109.9	R251 Y260	D245-R251 IonicContact OD1-CZ 3.24Å; D245-R251 IonicContact OD1-NH1 3.48Å; D245-R251 IonicContact OD1-NH2 3.75Å; D245-R251 PolarHBondContact OD1-NH2 3.3Å; D245-R251 IonicContact OD2-CZ 3.43Å; D245-R251 IonicContact OD2-NH1 3.75Å; D245-R251 PolarHBondContact OD2-NH1 3.38Å; D245-R251 IonicContact OD2-NH2 2.7Å; D245-R251 PolarHBondContact OD2-NH2 2.94Å; D245-Y260 WeakPolarHBondContact CA-OH 3.15Å; D245-Y260 WeakPolarHBondContact CB-OH 3.3Å; D245-Y260 PolarHBondContact OD1-OH 3.34Å
246	Q	96.2	Very high	84.2	Confident	6 Å²	6	54.7 Å²	54.7	3%	0.028	30%	0.295	C	S	.	.			trans	-90.8	141.2	-174.8	-53.5	-59.1	-47.4	0	0	112.4	T222 L240 N241 G248 C249 D264 R267	T222-Q246 HydrophobicContact CG2-CG 4.28Å; T222-Q246 WeakPolarHBondContact O-CG 3.01Å; T222-Q246 PolarHBondContact O-NE2 3.29Å; L240-Q246 PolarHBondContact O-NE2 3.45Å; L240-Q246 PolarHBondContact O-OE1 3Å; N241-Q246 PolarHBondContact ND2-OE1 3.26Å; Q246-G248 PolarHBondContact O-N 3.33Å; Q246-C249 WeakPolarHBondContact O-CB 3.46Å; Q246-C249 PolarHBondContact O-N 3.14Å; Q246-C249 VanDerWaalsContact O-N 3.08Å; Q246-D264 WeakPolarHBondContact CA-OD1 3.25Å; Q246-D264 WeakPolarHBondContact CB-OD1 3.2Å; Q246-D264 HydrophobicContact CG-CB 4.1Å; Q246-D264 WeakPolarHBondContact CG-OD1 3.2Å; Q246-D264 PolarHBondContact N-OD1 3.38Å; Q246-R267 HydrophobicContact CB-CB 4.22Å; Q246-R267 HydrophobicContact CB-CG 3.97Å; Q246-R267 HydrophobicContact CG-CB 3.74Å; Q246-R267 HydrophobicContact CG-CG 3.74Å
247	T	93.3	Very high	82.4	Confident	53 Å²	53	62 Å²	62	33%	0.325	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	132.6	177.8	53.1	0	0	0	0	110.8	C249 R267 T334 T335 S336	T247-C249 VanDerWaalsContact C-N 3.29Å; T247-C249 PolarHBondContact O-N 3.38Å; T247-R267 PolarHBondContact O-NH1 2.76Å; T247-R267 PolarHBondContact O-NH2 2.87Å; T247-T334 PolarHBondContact OG1-O 2.91Å; T247-T335 PolarHBondContact OG1-O 2.94Å; T247-T335 VanDerWaalsContact OG1-O 3.12Å; T247-S336 WeakPolarHBondContact O-CA 3.34Å; T247-S336 WeakPolarHBondContact OG1-CA 3.5Å; T247-S336 PolarHBondContact OG1-N 2.93Å
248	G	90.8	Very high	81.2	Confident	58 Å²	58	69.7 Å²	69.7	60%	0.598	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-9	-176.6	0	0	0	0	0	115.6	Q246 A250	Q246-G248 PolarHBondContact O-N 3.33Å; G248-A250 PolarHBondContact O-N 2.9Å
249	C	90.8	Very high	80.2	Confident	12 Å²	12	71.3 Å²	71.3	8%	0.081	38%	0.379	C	S	.	.			trans	-83.9	105.8	167.4	-64.1	0	0	0	0	108.6	Q246 T247 Y260 C263 D264 R267	Q246-C249 WeakPolarHBondContact O-CB 3.46Å; Q246-C249 PolarHBondContact O-N 3.14Å; Q246-C249 VanDerWaalsContact O-N 3.08Å; T247-C249 VanDerWaalsContact C-N 3.29Å; T247-C249 PolarHBondContact O-N 3.38Å; C249-Y260 HydrophobicContact CB-CD2 4.05Å; C249-Y260 HydrophobicContact CB-CE2 4.03Å; C249-Y260 WeakPolarHBondContact O-CD2 3.23Å; C249-Y260 VanDerWaalsContact O-CE2 3.25Å; C249-Y260 WeakPolarHBondContact O-CE2 3.29Å; C249-C263 WeakPolarHBondContact CA-SG 3.39Å; C249-C263 HydrophobicContact CB-CB 3.7Å; C249-C263 WeakPolarHBondContact CB-SG 3.43Å; C249-C263 WeakPolarHBondContact SG-CB 3.49Å; C249-C263 PolarHBondContact SG-O 2.79Å; C249-C263 CovalentContact SG-SG 2.05Å; C249-C263 PolarHBondContact SG-SG 2.91Å; C249-D264 WeakPolarHBondContact CB-OD1 3.06Å; C249-D264 PolarHBondContact SG-OD1 3.22Å; C249-R267 PolarHBondContact SG-NH2 2.92Å; C249-R267 VanDerWaalsContact SG-NH2 3.39Å
250	A	78.8	Confident	79.4	Confident	66 Å²	66	71.5 Å²	71.5	55%	0.545	38%	0.379	S	S	.	.			trans	-86.4	122.2	-171.3	0	0	0	0	0	112.2	G248 S252	G248-A250 PolarHBondContact O-N 2.9Å; A250-S252 PolarHBondContact O-N 2.89Å
251	R	67.3	Low	78.7	Confident	149 Å²	149	71.7 Å²	71.7	56%	0.562	38%	0.38	S	S	*	.			trans	-73	68.4	159.1	-69.7	-173.4	167.5	135.2	0.9	109.8	D245 Y260	D245-R251 IonicContact OD1-CZ 3.24Å; D245-R251 IonicContact OD1-NH1 3.48Å; D245-R251 IonicContact OD1-NH2 3.75Å; D245-R251 PolarHBondContact OD1-NH2 3.3Å; D245-R251 IonicContact OD2-CZ 3.43Å; D245-R251 IonicContact OD2-NH1 3.75Å; D245-R251 PolarHBondContact OD2-NH1 3.38Å; D245-R251 IonicContact OD2-NH2 2.7Å; D245-R251 PolarHBondContact OD2-NH2 2.94Å; R251-Y260 HydrophobicContact CB-CD2 4.44Å; R251-Y260 HydrophobicContact CG-CD1 3.98Å; R251-Y260 HydrophobicContact CG-CD2 3.57Å; R251-Y260 HydrophobicContact CG-CE1 3.93Å; R251-Y260 HydrophobicContact CG-CE2 3.49Å; R251-Y260 VanDerWaalsContact CG-CE2 3.49Å; R251-Y260 HydrophobicContact CG-CG 3.79Å; R251-Y260 PolarHBondContact NH2-OH 2.82Å
252	S	56.6	Low	78.4	Confident	54 Å²	54	75.3 Å²	75.3	38%	0.378	40%	0.399	S	S	.	.			trans	-75.6	138.1	175.8	165.8	0	0	0	0	110.4	A250 F254 A255	A250-S252 PolarHBondContact O-N 2.89Å; S252-F254 PolarHBondContact O-N 3.24Å; S252-F254 VanDerWaalsContact O-N 3.09Å; S252-F254 PolarHBondContact OG-N 3.42Å; S252-A255 PolarHBondContact O-N 3.47Å; S252-A255 VanDerWaalsContact O-N 3.13Å; S252-A255 PolarHBondContact OG-N 2.98Å
253	R	54	Low	78.2	Confident	248 Å²	248	77 Å²	77	94%	0.936	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.8	170.2	-73.1	-176.3	169	156.7	-2	113.4
254	F	52.5	Low	78.2	Confident	201 Å²	201	77 Å²	77	88%	0.882	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	-10.1	180	-58.6	-76.7	0	0	0	113.3	S252	S252-F254 PolarHBondContact O-N 3.24Å; S252-F254 VanDerWaalsContact O-N 3.09Å; S252-F254 PolarHBondContact OG-N 3.42Å
255	A	54.9	Low	78.3	Confident	47 Å²	47	74 Å²	74	39%	0.388	39%	0.393	S	S	.	.	S	Bend	trans	-81.1	145	169.9	0	0	0	0	0	108.9	S252 M257	S252-A255 PolarHBondContact O-N 3.47Å; S252-A255 VanDerWaalsContact O-N 3.13Å; S252-A255 PolarHBondContact OG-N 2.98Å; A255-M257 PolarHBondContact O-N 3.48Å
256	S	58.4	Low	78.4	Confident	74 Å²	74	72.6 Å²	72.6	52%	0.517	39%	0.385	S	S	.	.			trans	-61.3	139	170.1	60.1	0	0	0	0	108.8	Y258 G259	S256-Y258 PolarHBondContact O-N 3.35Å; S256-Y258 VanDerWaalsContact O-N 3.08Å; S256-G259 PolarHBondContact O-N 3.32Å; S256-G259 PolarHBondContact OG-N 3.27Å; S256-G259 VanDerWaalsContact OG-N 3.17Å
257	M	60.6	Low	78.5	Confident	154 Å²	154	72.8 Å²	72.8	76%	0.759	39%	0.386	S	S	*	.	H	α-helix	trans	-48.1	-37.2	171	176.4	173.5	-93.9	0	0	111	A255 G259 V261	A255-M257 PolarHBondContact O-N 3.48Å; M257-G259 PolarHBondContact O-N 3.18Å; M257-V261 WeakPolarHBondContact O-CG2 3.27Å; M257-V261 PolarHBondContact O-N 2.75Å
258	Y	73.9	Confident	78.7	Confident	161 Å²	161	70.3 Å²	70.3	63%	0.631	37%	0.37	S	S	*	.	H	α-helix	trans	-62.5	-35.6	174.6	-68.9	-78.8	0	0	0	114.6	F227 S256 I262	F227-Y258 HydrophobicContact CZ-CD1 4.5Å; S256-Y258 PolarHBondContact O-N 3.35Å; S256-Y258 VanDerWaalsContact O-N 3.08Å; Y258-I262 VanDerWaalsContact O-CB 3.31Å; Y258-I262 WeakPolarHBondContact O-CB 3.5Å; Y258-I262 WeakPolarHBondContact O-CD1 3.16Å; Y258-I262 WeakPolarHBondContact O-CG1 3.24Å; Y258-I262 PolarHBondContact O-N 2.91Å
259	G	78	Confident	79.1	Confident	35 Å²	35	67.6 Å²	67.6	36%	0.361	34%	0.342	S	S	.	.	H	α-helix	trans	-67.3	-37.4	-178.7	0	0	0	0	0	113	S256 M257 C263	S256-G259 PolarHBondContact O-N 3.32Å; S256-G259 PolarHBondContact OG-N 3.27Å; S256-G259 VanDerWaalsContact OG-N 3.17Å; M257-G259 PolarHBondContact O-N 3.18Å; G259-C263 WeakPolarHBondContact O-CB 3.22Å; G259-C263 PolarHBondContact O-N 3.06Å; G259-C263 VanDerWaalsContact O-N 3.07Å
260	Y	82.6	Confident	79.4	Confident	16 Å²	16	71 Å²	71	6%	0.063	36%	0.357	C	S	.	.	H	α-helix	trans	-63	-54.9	173.1	170.2	-101.4	0	0	0	111.3	D245 C249 R251 I262 C263 D264	D245-Y260 WeakPolarHBondContact CA-OH 3.15Å; D245-Y260 WeakPolarHBondContact CB-OH 3.3Å; D245-Y260 PolarHBondContact OD1-OH 3.34Å; C249-Y260 HydrophobicContact CB-CD2 4.05Å; C249-Y260 HydrophobicContact CB-CE2 4.03Å; C249-Y260 WeakPolarHBondContact O-CD2 3.23Å; C249-Y260 VanDerWaalsContact O-CE2 3.25Å; C249-Y260 WeakPolarHBondContact O-CE2 3.29Å; R251-Y260 HydrophobicContact CB-CD2 4.44Å; R251-Y260 HydrophobicContact CG-CD1 3.98Å; R251-Y260 HydrophobicContact CG-CD2 3.57Å; R251-Y260 HydrophobicContact CG-CE1 3.93Å; R251-Y260 HydrophobicContact CG-CE2 3.49Å; R251-Y260 VanDerWaalsContact CG-CE2 3.49Å; R251-Y260 HydrophobicContact CG-CG 3.79Å; R251-Y260 PolarHBondContact NH2-OH 2.82Å; Y260-I262 VanDerWaalsContact C-N 3.32Å; Y260-I262 PolarHBondContact O-N 2.91Å; Y260-C263 WeakPolarHBondContact O-CA 3.37Å; Y260-C263 VanDerWaalsContact O-CB 3.24Å; Y260-C263 WeakPolarHBondContact O-CB 3.39Å; Y260-C263 PolarHBondContact O-N 3.21Å; Y260-D264 WeakPolarHBondContact CE1-OD2 3.49Å; Y260-D264 WeakPolarHBondContact CE2-OD2 3.25Å; Y260-D264 PolarHBondContact O-N 2.95Å; Y260-D264 PolarHBondContact OH-OD2 2.78Å
261	V	83.4	Confident	80.3	Confident	5 Å²	5	67.8 Å²	67.8	3%	0.03	33%	0.331	C	S	.	.	H	α-helix	trans	-60.5	-40.9	-178.7	180	0	0	0	0	111.5	D223 H226 F227 M257 C263 D264 H265	D223-V261 VanDerWaalsContact OD2-CG1 3.27Å; D223-V261 WeakPolarHBondContact OD2-CG1 3.38Å; H226-V261 HydrophobicContact CB-CG1 3.54Å; H226-V261 HydrophobicContact CB-CG2 4.29Å; F227-V261 HydrophobicContact CD1-CG1 3.93Å; F227-V261 HydrophobicContact CD2-CG1 3.48Å; F227-V261 VanDerWaalsContact CD2-CG1 3.48Å; F227-V261 HydrophobicContact CE1-CG1 3.87Å; F227-V261 HydrophobicContact CE2-CB 4.24Å; F227-V261 HydrophobicContact CE2-CG1 3.42Å; F227-V261 VanDerWaalsContact CE2-CG1 3.42Å; F227-V261 HydrophobicContact CG-CG1 3.74Å; F227-V261 HydrophobicContact CZ-CB 4.4Å; F227-V261 HydrophobicContact CZ-CG1 3.62Å; M257-V261 WeakPolarHBondContact O-CG2 3.27Å; M257-V261 PolarHBondContact O-N 2.75Å; V261-C263 VanDerWaalsContact C-N 3.3Å; V261-C263 PolarHBondContact O-N 3.45Å; V261-D264 PolarHBondContact O-N 2.99Å; V261-H265 VanDerWaalsContact O-CB 3.23Å; V261-H265 WeakPolarHBondContact O-CB 3.39Å; V261-H265 PolarHBondContact O-N 2.73Å
262	I	90.2	Very high	81.8	Confident	90 Å²	90	60.7 Å²	60.7	46%	0.462	30%	0.304	S	S	.	.	H	α-helix	trans	-63.8	-36.7	174.3	-68.7	164.9	0	0	0	111.3	F227 Y258 Y260 M266	F227-I262 HydrophobicContact CE2-CG1 4.15Å; Y258-I262 VanDerWaalsContact O-CB 3.31Å; Y258-I262 WeakPolarHBondContact O-CB 3.5Å; Y258-I262 WeakPolarHBondContact O-CD1 3.16Å; Y258-I262 WeakPolarHBondContact O-CG1 3.24Å; Y258-I262 PolarHBondContact O-N 2.91Å; Y260-I262 VanDerWaalsContact C-N 3.32Å; Y260-I262 PolarHBondContact O-N 2.91Å; I262-M266 HydrophobicContact CG2-CG 4.14Å; I262-M266 VanDerWaalsContact O-CB 3.31Å; I262-M266 WeakPolarHBondContact O-CB 3.28Å; I262-M266 WeakPolarHBondContact O-CG 3.46Å; I262-M266 PolarHBondContact O-N 3.18Å
263	C	94.1	Very high	83.8	Confident	44 Å²	44	59.9 Å²	59.9	30%	0.297	29%	0.294	S	S	.	.	H	α-helix	trans	-64.8	-45.3	177.4	179.6	0	0	0	0	111.7	C249 G259 Y260 V261 R267	C249-C263 WeakPolarHBondContact CA-SG 3.39Å; C249-C263 HydrophobicContact CB-CB 3.7Å; C249-C263 WeakPolarHBondContact CB-SG 3.43Å; C249-C263 WeakPolarHBondContact SG-CB 3.49Å; C249-C263 PolarHBondContact SG-O 2.79Å; C249-C263 CovalentContact SG-SG 2.05Å; C249-C263 PolarHBondContact SG-SG 2.91Å; G259-C263 WeakPolarHBondContact O-CB 3.22Å; G259-C263 PolarHBondContact O-N 3.06Å; G259-C263 VanDerWaalsContact O-N 3.07Å; Y260-C263 WeakPolarHBondContact O-CA 3.37Å; Y260-C263 VanDerWaalsContact O-CB 3.24Å; Y260-C263 WeakPolarHBondContact O-CB 3.39Å; Y260-C263 PolarHBondContact O-N 3.21Å; V261-C263 VanDerWaalsContact C-N 3.3Å; V261-C263 PolarHBondContact O-N 3.45Å; C263-R267 PolarHBondContact O-N 3.43Å
264	D	96.4	Very high	85.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-49.7	176	-67	-42	0	0	0	110.1	T222 D223 Q246 C249 Y260 V261 M266 R267	T222-D264 WeakPolarHBondContact CB-O 3.4Å; T222-D264 PolarHBondContact OG1-O 2.97Å; D223-D264 HydrophobicContact CB-CB 3.92Å; Q246-D264 WeakPolarHBondContact CA-OD1 3.25Å; Q246-D264 WeakPolarHBondContact CB-OD1 3.2Å; Q246-D264 HydrophobicContact CG-CB 4.1Å; Q246-D264 WeakPolarHBondContact CG-OD1 3.2Å; Q246-D264 PolarHBondContact N-OD1 3.38Å; C249-D264 WeakPolarHBondContact CB-OD1 3.06Å; C249-D264 PolarHBondContact SG-OD1 3.22Å; Y260-D264 WeakPolarHBondContact CE1-OD2 3.49Å; Y260-D264 WeakPolarHBondContact CE2-OD2 3.25Å; Y260-D264 PolarHBondContact O-N 2.95Å; Y260-D264 PolarHBondContact OH-OD2 2.78Å; V261-D264 PolarHBondContact O-N 2.99Å; D264-M266 VanDerWaalsContact C-N 3.3Å; D264-M266 PolarHBondContact O-N 2.77Å; D264-R267 WeakPolarHBondContact O-CB 3.29Å; D264-R267 PolarHBondContact O-N 2.91Å
265	H	97.1	Very high	87.9	Confident	17 Å²	17	39.8 Å²	39.8	8%	0.079	22%	0.217	C	C	.	.	H	α-helix	trans	-59.1	-38.7	-178.7	-170.1	61.1	0	0	0	113.6	S170 D194 D223 F227 V261 R267	S170-H265 WeakPolarHBondContact CB-NE2 3.44Å; S170-H265 PolarHBondContact OG-CE1 3.05Å; S170-H265 PolarHBondContact OG-NE2 2.86Å; D194-H265 PolarHBondContact O-CE1 3.1Å; D194-H265 VanDerWaalsContact O-CE1 3.24Å; D194-H265 VanDerWaalsContact OD2-CA 3.29Å; D194-H265 WeakPolarHBondContact OD2-CA 3.5Å; D194-H265 IonicContact OD2-ND1 3.44Å; D194-H265 PolarHBondContact OD2-ND1 2.04Å; D223-H265 HydrophobicContact CB-CB 4.06Å; F227-H265 HydrophobicContact CB-CB 4.48Å; F227-H265 HydrophobicContact CD2-CB 4.13Å; V261-H265 VanDerWaalsContact O-CB 3.23Å; V261-H265 WeakPolarHBondContact O-CB 3.39Å; V261-H265 PolarHBondContact O-N 2.73Å; H265-R267 VanDerWaalsContact C-N 3.31Å; H265-R267 PolarHBondContact O-N 3.12Å
266	M	96.6	Very high	89.9	Confident	34 Å²	34	38.3 Å²	38.3	17%	0.167	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-5.5	178	-64	-57.5	-56.8	0	0	113.3	W103 I262 D264 A268 L269 H270	W103-M266 VanDerWaalsContact CD1-CE 3.48Å; W103-M266 HydrophobicContact CG-CE 4.11Å; I262-M266 HydrophobicContact CG2-CG 4.14Å; I262-M266 VanDerWaalsContact O-CB 3.31Å; I262-M266 WeakPolarHBondContact O-CB 3.28Å; I262-M266 WeakPolarHBondContact O-CG 3.46Å; I262-M266 PolarHBondContact O-N 3.18Å; D264-M266 VanDerWaalsContact C-N 3.3Å; D264-M266 PolarHBondContact O-N 2.77Å; M266-A268 VanDerWaalsContact C-N 3.34Å; M266-A268 PolarHBondContact O-N 3.13Å; M266-L269 HydrophobicContact CE-CB 4.28Å; M266-L269 HydrophobicContact CE-CD2 3.36Å; M266-L269 HydrophobicContact CE-CG 4.45Å; M266-L269 WeakPolarHBondContact O-CB 3.33Å; M266-L269 PolarHBondContact O-N 2.79Å; M266-H270 PolarHBondContact O-N 3.3Å
267	R	98	Very high	91.4	Very high	11 Å²	11	40.7 Å²	40.7	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-64.1	-38.3	-179.8	-177.2	60.8	57.4	141.9	6.6	112	T222 Q246 T247 C249 C263 D264 H265 L269 H270 V271 S336 F340	T222-R267 HydrophobicContact CG2-CB 3.8Å; T222-R267 HydrophobicContact CG2-CG 3.9Å; Q246-R267 HydrophobicContact CB-CB 4.22Å; Q246-R267 HydrophobicContact CB-CG 3.97Å; Q246-R267 HydrophobicContact CG-CB 3.74Å; Q246-R267 HydrophobicContact CG-CG 3.74Å; T247-R267 PolarHBondContact O-NH1 2.76Å; T247-R267 PolarHBondContact O-NH2 2.87Å; C249-R267 PolarHBondContact SG-NH2 2.92Å; C249-R267 VanDerWaalsContact SG-NH2 3.39Å; C263-R267 PolarHBondContact O-N 3.43Å; D264-R267 WeakPolarHBondContact O-CB 3.29Å; D264-R267 PolarHBondContact O-N 2.91Å; H265-R267 VanDerWaalsContact C-N 3.31Å; H265-R267 PolarHBondContact O-N 3.12Å; R267-L269 PolarHBondContact O-N 3.03Å; R267-H270 PolarHBondContact O-N 2.85Å; R267-V271 HydrophobicContact CG-CG2 4Å; R267-V271 WeakPolarHBondContact O-CB 3.49Å; R267-V271 WeakPolarHBondContact O-CG2 3.21Å; R267-V271 PolarHBondContact O-N 2.86Å; R267-S336 PolarHBondContact NH1-O 3.3Å; R267-F340 VanDerWaalsContact NH1-CD1 3.28Å
268	A	98.4	Very high	92.6	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-54.8	-43.4	176.7	0	0	0	0	0	111.7	L193 D194 I220 T222 M266 Y272	L193-A268 HydrophobicContact CB-CB 4.2Å; D194-A268 HydrophobicContact CB-CB 3.89Å; I220-A268 HydrophobicContact CB-CB 3.97Å; I220-A268 HydrophobicContact CG2-CB 3.73Å; T222-A268 HydrophobicContact CG2-CB 4.11Å; T222-A268 WeakPolarHBondContact OG1-CB 3.34Å; T222-A268 PolarHBondContact OG1-N 3.12Å; M266-A268 VanDerWaalsContact C-N 3.34Å; M266-A268 PolarHBondContact O-N 3.13Å; A268-Y272 VanDerWaalsContact O-CB 3.28Å; A268-Y272 WeakPolarHBondContact O-CB 3.41Å; A268-Y272 PolarHBondContact O-N 2.94Å
269	L	98.2	Very high	93.3	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-63.7	-50.8	176.7	175.3	66.5	0	0	0	112.2	W103 L107 V169 L193 M266 R267 V271 Y272 M273	W103-L269 HydrophobicContact CB-CD2 3.57Å; W103-L269 HydrophobicContact CD2-CD2 3.34Å; W103-L269 HydrophobicContact CE3-CD1 4.03Å; W103-L269 HydrophobicContact CE3-CD2 3.58Å; W103-L269 HydrophobicContact CE3-CG 4.48Å; W103-L269 HydrophobicContact CG-CD2 3.33Å; W103-L269 HydrophobicContact CZ3-CD1 4.38Å; W103-L269 HydrophobicContact CZ3-CD2 4.43Å; L107-L269 HydrophobicContact CB-CD1 4.39Å; L107-L269 HydrophobicContact CD1-CD1 4.26Å; L107-L269 HydrophobicContact CD2-CD1 3.85Å; L107-L269 HydrophobicContact CG-CD1 4.38Å; V169-L269 HydrophobicContact CG2-CD1 4.35Å; L193-L269 HydrophobicContact CD1-CD1 3.89Å; M266-L269 HydrophobicContact CE-CB 4.28Å; M266-L269 HydrophobicContact CE-CD2 3.36Å; M266-L269 HydrophobicContact CE-CG 4.45Å; M266-L269 WeakPolarHBondContact O-CB 3.33Å; M266-L269 PolarHBondContact O-N 2.79Å; R267-L269 PolarHBondContact O-N 3.03Å; L269-V271 VanDerWaalsContact C-N 3.33Å; L269-V271 PolarHBondContact O-N 2.87Å; L269-Y272 PolarHBondContact O-N 2.98Å; L269-M273 HydrophobicContact CD1-CG 4.25Å; L269-M273 HydrophobicContact CD1-SD 4.05Å; L269-M273 HydrophobicContact CG-SD 4.01Å; L269-M273 WeakPolarHBondContact O-CG 3.46Å; L269-M273 PolarHBondContact O-N 2.75Å
270	H	97.6	Very high	93.7	Very high	83 Å²	83	32.3 Å²	32.3	38%	0.384	19%	0.19	S	C	.	.	H	α-helix	trans	-63.4	-40.3	-177.3	-64.8	154.1	0	0	0	112.2	M266 R267 M273 S274 F340	M266-H270 PolarHBondContact O-N 3.3Å; R267-H270 PolarHBondContact O-N 2.85Å; H270-M273 PolarHBondContact O-N 2.92Å; H270-S274 WeakPolarHBondContact O-CB 3.31Å; H270-S274 PolarHBondContact O-N 3.14Å; H270-F340 HydrophobicContact CB-CE2 3.87Å; H270-F340 HydrophobicContact CB-CZ 3.88Å; H270-F340 WeakPolarHBondContact O-CE2 3.32Å
271	V	98.3	Very high	94.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.9	-46.1	175	166	0	0	0	0	110.2	L240 R267 L269 M273 S274 A275 L282 I311 F340	L240-V271 HydrophobicContact CD2-CB 3.96Å; L240-V271 HydrophobicContact CD2-CG1 3.64Å; L240-V271 HydrophobicContact CD2-CG2 3.57Å; R267-V271 HydrophobicContact CG-CG2 4Å; R267-V271 WeakPolarHBondContact O-CB 3.49Å; R267-V271 WeakPolarHBondContact O-CG2 3.21Å; R267-V271 PolarHBondContact O-N 2.86Å; L269-V271 VanDerWaalsContact C-N 3.33Å; L269-V271 PolarHBondContact O-N 2.87Å; V271-M273 PolarHBondContact O-N 3.14Å; V271-S274 PolarHBondContact O-N 3.5Å; V271-A275 WeakPolarHBondContact O-CB 3.29Å; V271-A275 PolarHBondContact O-N 3.3Å; V271-L282 HydrophobicContact CG1-CD1 3.53Å; V271-I311 HydrophobicContact CG1-CD1 3.82Å; V271-F340 HydrophobicContact CB-CD2 4.49Å; V271-F340 HydrophobicContact CG2-CB 4.24Å; V271-F340 HydrophobicContact CG2-CD2 3.83Å; V271-F340 HydrophobicContact CG2-CE2 4.35Å; V271-F340 HydrophobicContact CG2-CG 3.98Å
272	Y	98.4	Very high	94.7	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-49	177.5	-173.7	-104.7	0	0	0	111.3	L107 L111 H165 I167 T191 L193 I220 A268 L269 S274 A275 L276 I311	L107-Y272 HydrophobicContact CD1-CD1 3.87Å; L107-Y272 HydrophobicContact CD1-CE1 4.1Å; L111-Y272 HydrophobicContact CD2-CE1 4.4Å; H165-Y272 PolarHBondContact CE1-OH 3.38Å; H165-Y272 VanDerWaalsContact CE1-OH 3.26Å; I167-Y272 HydrophobicContact CD1-CE1 4.16Å; I167-Y272 HydrophobicContact CG2-CE1 4.32Å; T191-Y272 HydrophobicContact CG2-CD2 4.24Å; T191-Y272 HydrophobicContact CG2-CE2 3.88Å; L193-Y272 HydrophobicContact CD1-CD1 4.18Å; L193-Y272 HydrophobicContact CD1-CG 4.34Å; L193-Y272 HydrophobicContact CD2-CD1 4.42Å; L193-Y272 HydrophobicContact CD2-CD2 4.07Å; L193-Y272 HydrophobicContact CD2-CG 3.83Å; I220-Y272 HydrophobicContact CD1-CD2 3.98Å; A268-Y272 VanDerWaalsContact O-CB 3.28Å; A268-Y272 WeakPolarHBondContact O-CB 3.41Å; A268-Y272 PolarHBondContact O-N 2.94Å; L269-Y272 PolarHBondContact O-N 2.98Å; Y272-S274 VanDerWaalsContact C-N 3.34Å; Y272-S274 PolarHBondContact O-N 3.37Å; Y272-A275 WeakPolarHBondContact O-CB 3.37Å; Y272-A275 PolarHBondContact O-N 3.06Å; Y272-A275 VanDerWaalsContact O-N 3.15Å; Y272-L276 HydrophobicContact CD1-CD1 4.19Å; Y272-L276 HydrophobicContact CD1-CG 4.48Å; Y272-L276 HydrophobicContact CE1-CD1 3.96Å; Y272-L276 HydrophobicContact CE1-CD2 4.26Å; Y272-L276 HydrophobicContact CE1-CG 4.3Å; Y272-L276 WeakPolarHBondContact O-CG 3.48Å; Y272-L276 PolarHBondContact O-N 3.22Å; Y272-L276 VanDerWaalsContact O-N 3.11Å; Y272-I311 HydrophobicContact CD2-CG2 3.85Å
273	M	97.4	Very high	94.9	Very high	36 Å²	36	36.1 Å²	36.1	18%	0.177	21%	0.208	C	C	.	.	H	α-helix	trans	-59.1	-41.5	175.5	-71.2	172.6	57.9	0	0	112.9	D106 L107 L269 H270 V271 A275 L276	D106-M273 HydrophobicContact CB-CE 3.31Å; D106-M273 HydrophobicContact CB-SD 4.49Å; L107-M273 HydrophobicContact CB-CG 4.27Å; L107-M273 HydrophobicContact CB-SD 4.16Å; L107-M273 HydrophobicContact CD1-CG 3.68Å; L269-M273 HydrophobicContact CD1-CG 4.25Å; L269-M273 HydrophobicContact CD1-SD 4.05Å; L269-M273 HydrophobicContact CG-SD 4.01Å; L269-M273 WeakPolarHBondContact O-CG 3.46Å; L269-M273 PolarHBondContact O-N 2.75Å; H270-M273 PolarHBondContact O-N 2.92Å; V271-M273 PolarHBondContact O-N 3.14Å; M273-A275 VanDerWaalsContact C-N 3.35Å; M273-L276 WeakPolarHBondContact O-CB 3.39Å; M273-L276 PolarHBondContact O-N 2.91Å
274	S	96.4	Very high	95.1	Very high	18 Å²	18	34 Å²	34	13%	0.126	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-41.2	174.6	-109.7	0	0	0	0	112.3	H270 V271 Y272 L276 N277 P339	H270-S274 WeakPolarHBondContact O-CB 3.31Å; H270-S274 PolarHBondContact O-N 3.14Å; V271-S274 PolarHBondContact O-N 3.5Å; Y272-S274 VanDerWaalsContact C-N 3.34Å; Y272-S274 PolarHBondContact O-N 3.37Å; S274-L276 VanDerWaalsContact C-N 3.25Å; S274-L276 PolarHBondContact O-N 2.84Å; S274-N277 WeakPolarHBondContact O-CB 3.33Å; S274-N277 PolarHBondContact O-N 2.82Å; S274-N277 VanDerWaalsContact O-N 3.11Å; S274-P339 WeakPolarHBondContact OG-CA 3.31Å
275	A	96.9	Very high	95.1	Very high	9 Å²	9	34 Å²	34	7%	0.074	19%	0.194	C	C	.	.	H	α-helix	trans	-63.2	-31.5	177.5	0	0	0	0	0	112.6	V271 Y272 M273 N277 G278 L282 I311	V271-A275 WeakPolarHBondContact O-CB 3.29Å; V271-A275 PolarHBondContact O-N 3.3Å; Y272-A275 WeakPolarHBondContact O-CB 3.37Å; Y272-A275 PolarHBondContact O-N 3.06Å; Y272-A275 VanDerWaalsContact O-N 3.15Å; M273-A275 VanDerWaalsContact C-N 3.35Å; A275-N277 VanDerWaalsContact C-N 3.26Å; A275-N277 PolarHBondContact O-N 2.85Å; A275-G278 PolarHBondContact O-N 2.81Å; A275-L282 HydrophobicContact CB-CD1 3.86Å; A275-I311 HydrophobicContact CB-CB 4.2Å; A275-I311 HydrophobicContact CB-CG2 3.8Å; A275-I311 WeakPolarHBondContact CB-O 3.47Å
276	L	96.3	Very high	95.1	Very high	17 Å²	17	33.8 Å²	33.8	9%	0.089	19%	0.194	C	C	.	.	H	α-helix	trans	-64.7	-28.7	174.9	-63.1	177.5	0	0	0	113	L107 A110 L111 A114 Y272 M273 S274 G278 L313	L107-L276 HydrophobicContact CD1-CD1 4.13Å; A110-L276 HydrophobicContact CB-CB 4.33Å; A110-L276 HydrophobicContact CB-CD1 3.79Å; L111-L276 HydrophobicContact CD2-CD1 3.72Å; L111-L276 HydrophobicContact CD2-CD2 4.19Å; L111-L276 HydrophobicContact CG-CD1 3.89Å; A114-L276 HydrophobicContact CB-CB 4.2Å; A114-L276 HydrophobicContact CB-CD2 4.37Å; Y272-L276 HydrophobicContact CD1-CD1 4.19Å; Y272-L276 HydrophobicContact CD1-CG 4.48Å; Y272-L276 HydrophobicContact CE1-CD1 3.96Å; Y272-L276 HydrophobicContact CE1-CD2 4.26Å; Y272-L276 HydrophobicContact CE1-CG 4.3Å; Y272-L276 WeakPolarHBondContact O-CG 3.48Å; Y272-L276 PolarHBondContact O-N 3.22Å; Y272-L276 VanDerWaalsContact O-N 3.11Å; M273-L276 WeakPolarHBondContact O-CB 3.39Å; M273-L276 PolarHBondContact O-N 2.91Å; S274-L276 VanDerWaalsContact C-N 3.25Å; S274-L276 PolarHBondContact O-N 2.84Å; L276-G278 VanDerWaalsContact C-N 3.26Å; L276-G278 PolarHBondContact O-N 2.93Å; L276-L313 HydrophobicContact CD2-CD1 3.91Å; L276-L313 HydrophobicContact CD2-CD2 3.87Å; L276-L313 HydrophobicContact CD2-CG 3.45Å; L276-L313 VanDerWaalsContact CD2-CG 3.45Å
277	N	91.3	Very high	95.2	Very high	123 Å²	123	32.5 Å²	32.5	66%	0.658	19%	0.188	S	C	*	.	H	α-helix	trans	-73.3	-19.4	176.6	-165.6	22.8	0	0	0	112.6	S274 A275 T279	S274-N277 WeakPolarHBondContact O-CB 3.33Å; S274-N277 PolarHBondContact O-N 2.82Å; S274-N277 VanDerWaalsContact O-N 3.11Å; A275-N277 VanDerWaalsContact C-N 3.26Å; A275-N277 PolarHBondContact O-N 2.85Å; N277-T279 VanDerWaalsContact C-N 3.32Å; N277-T279 PolarHBondContact O-N 3.22Å
278	G	86	Confident	95.1	Very high	59 Å²	59	35.3 Å²	35.3	61%	0.608	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	17.5	174.2	0	0	0	0	0	115.4	A275 L276 C280	A275-G278 PolarHBondContact O-N 2.81Å; L276-G278 VanDerWaalsContact C-N 3.26Å; L276-G278 PolarHBondContact O-N 2.93Å; G278-C280 VanDerWaalsContact C-N 3.31Å; G278-C280 PolarHBondContact O-N 2.77Å
279	T	87.2	Confident	95	Very high	80 Å²	80	37.1 Å²	37.1	49%	0.491	23%	0.226	S	C	.	.	S	Bend	trans	-66.9	-29.5	179.8	46.7	0	0	0	0	113.6	N277 P339	N277-T279 VanDerWaalsContact C-N 3.32Å; N277-T279 PolarHBondContact O-N 3.22Å; T279-P339 VanDerWaalsContact OG1-CB 3.26Å; T279-P339 WeakPolarHBondContact OG1-CB 3.28Å
280	C	87.9	Confident	95	Very high	35 Å²	35	39.7 Å²	39.7	24%	0.236	24%	0.237	C	C	.	.	S	Bend	trans	-154.7	163.8	172	63.1	0	0	0	0	110.7	G278 C341	G278-C280 VanDerWaalsContact C-N 3.31Å; G278-C280 PolarHBondContact O-N 2.77Å; C280-C341 HydrophobicContact CB-CB 3.78Å; C280-C341 WeakPolarHBondContact CB-SG 3.44Å; C280-C341 WeakPolarHBondContact SG-CA 3.25Å; C280-C341 WeakPolarHBondContact SG-CB 3.49Å; C280-C341 CovalentContact SG-SG 2.01Å; C280-C341 PolarHBondContact SG-SG 3.24Å
281	Q	89.5	Confident	95	Very high	159 Å²	159	41.4 Å²	41.4	74%	0.743	24%	0.244	S	C	*	.			trans	-91.9	108.2	178.3	-63.4	-172	9.6	0	0	110.5	T283	Q281-T283 VanDerWaalsContact C-N 3.3Å; Q281-T283 PolarHBondContact O-N 3.08Å; Q281-T283 PolarHBondContact O-OG1 3.04Å
282	L	95.5	Very high	95	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.031	26%	0.258	C	S	.	.			trans	-80.6	81.2	174.3	-66.4	168.8	0	0	0	109.4	V271 A275 A310 I311 L332 T334	V271-L282 HydrophobicContact CG1-CD1 3.53Å; A275-L282 HydrophobicContact CB-CD1 3.86Å; L282-A310 WeakPolarHBondContact O-CA 3.3Å; L282-I311 HydrophobicContact CB-CB 4.21Å; L282-I311 HydrophobicContact CB-CD1 4.26Å; L282-I311 PolarHBondContact O-N 3.07Å; L282-L332 HydrophobicContact CB-CD1 4.09Å; L282-T334 HydrophobicContact CD2-CG2 4.45Å
283	T	95.8	Very high	95	Very high	26 Å²	26	43.9 Å²	43.9	16%	0.16	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-95.6	132.4	-169.6	-59.4	0	0	0	0	111.7	Q281 C308 P309 L332	Q281-T283 VanDerWaalsContact C-N 3.3Å; Q281-T283 PolarHBondContact O-N 3.08Å; Q281-T283 PolarHBondContact O-OG1 3.04Å; T283-C308 HydrophobicContact CG2-CB 3.08Å; T283-P309 WeakPolarHBondContact CA-O 3.42Å; T283-L332 VanDerWaalsContact O-CB 3.31Å; T283-L332 WeakPolarHBondContact O-CB 3.44Å
284	G	97.1	Very high	95	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-97.9	138.1	177.4	0	0	0	0	0	113	P309	G284-P309 PolarHBondContact N-O 3.49Å; G284-P309 WeakPolarHBondContact O-CD 3.13Å
285	I	97.4	Very high	95.1	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	123.5	176.4	-56.7	-171.8	0	0	0	109.5	C287 F293 C298 V330 F331 L425	I285-C287 PolarHBondContact O-N 2.99Å; I285-F293 HydrophobicContact CB-CD2 4.14Å; I285-F293 HydrophobicContact CB-CE2 3.98Å; I285-F293 HydrophobicContact CD1-CE2 4.06Å; I285-F293 HydrophobicContact CG1-CE2 4.24Å; I285-F293 HydrophobicContact CG2-CD2 4.5Å; I285-C298 HydrophobicContact CG2-CB 4.29Å; I285-V330 CarbonylContact O-C 3.45Å; I285-V330 VanDerWaalsContact O-CA 3.32Å; I285-V330 WeakPolarHBondContact O-CA 3.4Å; I285-F331 PolarHBondContact N-O 3.39Å; I285-F331 PolarHBondContact O-N 2.83Å; I285-L425 HydrophobicContact CD1-CB 3.38Å; I285-L425 HydrophobicContact CD1-CD1 3.76Å; I285-L425 HydrophobicContact CD1-CG 4.21Å
286	P	97.1	Very high	95	Very high	11 Å²	11	47.8 Å²	47.8	7%	0.071	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	129.2	178.8	27.4	-32.5	0	0	0	110.5	C298 C301 F304 Q328 K329 V330	P286-C298 WeakPolarHBondContact O-CB 3.43Å; P286-C301 WeakPolarHBondContact CD-SG 3.47Å; P286-F304 HydrophobicContact CB-CE2 3.93Å; P286-F304 HydrophobicContact CG-CD2 4.13Å; P286-F304 HydrophobicContact CG-CE2 3.99Å; P286-Q328 HydrophobicContact CB-CG 4.15Å; P286-K329 WeakPolarHBondContact CA-O 3.43Å; P286-V330 HydrophobicContact CB-CG1 4.21Å
287	C	97.4	Very high	95.1	Very high	7 Å²	7	50.5 Å²	50.5	5%	0.047	29%	0.293	C	S	.	.			trans	-152.1	160.8	175.7	-152.1	0	0	0	0	111.3	I285 D292 F293 C298 K329 F331	I285-C287 PolarHBondContact O-N 2.99Å; C287-D292 WeakPolarHBondContact SG-CB 3.46Å; C287-F293 HydrophobicContact CB-CB 4.01Å; C287-F293 PolarHBondContact SG-N 3.47Å; C287-C298 WeakPolarHBondContact CA-SG 3.34Å; C287-C298 HydrophobicContact CB-CB 3.61Å; C287-C298 WeakPolarHBondContact CB-SG 3.49Å; C287-C298 WeakPolarHBondContact SG-CB 3.42Å; C287-C298 CovalentContact SG-SG 2.04Å; C287-C298 PolarHBondContact SG-SG 3.3Å; C287-K329 PolarHBondContact N-O 3.23Å; C287-F331 HydrophobicContact CB-CD2 3.68Å; C287-F331 HydrophobicContact CB-CE2 3.95Å; C287-F331 WeakPolarHBondContact O-CE2 3.36Å
288	A	96.1	Very high	95.3	Very high	71 Å²	71	45.9 Å²	45.9	59%	0.587	27%	0.27	S	S	*	.	S	Bend	trans	-70.5	-39.5	179	0	0	0	0	0	112	K329	A288-K329 PolarHBondContact O-NZ 2.86Å
289	S	97.6	Very high	95.7	Very high	37 Å²	37	44.6 Å²	44.6	26%	0.259	25%	0.25	S	C	.	.			trans	-144.7	160.8	-178.7	75.4	0	0	0	0	111.6	E291 D292 F293	S289-E291 VanDerWaalsContact C-N 3.26Å; S289-E291 PolarHBondContact O-N 3.38Å; S289-D292 PolarHBondContact O-N 3.4Å; S289-D292 WeakPolarHBondContact OG-CB 3.38Å; S289-D292 PolarHBondContact OG-N 2.85Å; S289-D292 PolarHBondContact OG-OD2 2.8Å; S289-F293 PolarHBondContact O-N 3.1Å; S289-F293 VanDerWaalsContact O-N 3.12Å
290	Y	97.9	Very high	95.9	Very high	56 Å²	56	44.7 Å²	44.7	22%	0.22	25%	0.247	C	C	.	.	H	α-helix	trans	-65	-33.3	174.1	-177.2	-128.3	0	0	0	112.1	N241 G242 F293 L294 F331 L333	N241-Y290 VanDerWaalsContact C-OH 3.28Å; N241-Y290 PolarHBondContact O-OH 2.85Å; G242-Y290 VanDerWaalsContact CA-CD1 3.47Å; G242-Y290 VanDerWaalsContact CA-CD2 3.45Å; Y290-F293 AromaticContact CD2-CD1 3.71Å; Y290-F293 HydrophobicContact CD2-CD1 3.71Å; Y290-F293 HydrophobicContact CD2-CE1 4.35Å; Y290-F293 AromaticContact CE2-CD1 3.72Å; Y290-F293 HydrophobicContact CE2-CD1 3.72Å; Y290-F293 AromaticContact CE2-CE1 3.95Å; Y290-F293 HydrophobicContact CE2-CE1 3.95Å; Y290-F293 WeakPolarHBondContact O-CB 3.33Å; Y290-F293 PolarHBondContact O-N 2.76Å; Y290-L294 HydrophobicContact CD1-CD1 4.03Å; Y290-L294 HydrophobicContact CD1-CG 4.45Å; Y290-L294 HydrophobicContact CD2-CG 4.31Å; Y290-L294 HydrophobicContact CE1-CD1 3.54Å; Y290-L294 HydrophobicContact CE1-CG 4.1Å; Y290-L294 HydrophobicContact CE2-CD1 4.28Å; Y290-L294 HydrophobicContact CE2-CD2 4.07Å; Y290-L294 HydrophobicContact CE2-CG 3.91Å; Y290-L294 WeakPolarHBondContact O-CG 3.33Å; Y290-L294 PolarHBondContact O-N 3.34Å; Y290-F331 HydrophobicContact CD2-CB 4.34Å; Y290-F331 AromaticContact CD2-CD1 3.64Å; Y290-F331 HydrophobicContact CD2-CD1 3.64Å; Y290-F331 HydrophobicContact CD2-CE1 4.34Å; Y290-F331 HydrophobicContact CD2-CG 4.21Å; Y290-F331 HydrophobicContact CG-CD1 4.14Å; Y290-F331 HydrophobicContact CG-CE1 4.4Å; Y290-F331 VanDerWaalsContact N-CZ 3.34Å; Y290-L333 HydrophobicContact CE2-CD2 4Å; Y290-L333 VanDerWaalsContact OH-CD2 3.24Å; Y290-L333 WeakPolarHBondContact OH-CD2 2.97Å
291	E	97.9	Very high	96.1	Very high	118 Å²	118	43.1 Å²	43.1	55%	0.551	24%	0.237	S	C	*	.	H	α-helix	trans	-65.5	-42.9	177.3	-174.7	178.9	176.3	0	0	111.6	S289 F293 L294 K295	S289-E291 VanDerWaalsContact C-N 3.26Å; S289-E291 PolarHBondContact O-N 3.38Å; E291-F293 VanDerWaalsContact C-N 3.32Å; E291-F293 PolarHBondContact O-N 3.43Å; E291-L294 PolarHBondContact O-N 2.86Å; E291-K295 HydrophobicContact CG-CD 4.25Å; E291-K295 WeakPolarHBondContact O-CB 3.18Å; E291-K295 WeakPolarHBondContact O-CG 3.16Å; E291-K295 PolarHBondContact O-N 3.07Å; E291-K295 VanDerWaalsContact OE1-CE 3.25Å; E291-K295 WeakPolarHBondContact OE1-CE 3.44Å; E291-K295 IonicContact OE1-NZ 3.03Å; E291-K295 PolarHBondContact OE1-NZ 3.18Å
292	D	98.2	Very high	96.1	Very high	52 Å²	52	37.9 Å²	37.9	28%	0.278	23%	0.226	S	C	.	.	H	α-helix	trans	-65	-38.3	175.6	-66.9	-41.3	0	0	0	111.7	C287 S289 K295 G296 S297	C287-D292 WeakPolarHBondContact SG-CB 3.46Å; S289-D292 PolarHBondContact O-N 3.4Å; S289-D292 WeakPolarHBondContact OG-CB 3.38Å; S289-D292 PolarHBondContact OG-N 2.85Å; S289-D292 PolarHBondContact OG-OD2 2.8Å; D292-K295 PolarHBondContact O-N 2.7Å; D292-G296 PolarHBondContact O-N 2.8Å; D292-S297 WeakPolarHBondContact O-CB 3.09Å; D292-S297 PolarHBondContact O-N 3.42Å; D292-S297 PolarHBondContact O-OG 2.74Å
293	F	98.2	Very high	95.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.3	-51	173.4	164.7	-102.4	0	0	0	110.8	I285 C287 S289 Y290 E291 K295 G296 F331 L333 H344 V387	I285-F293 HydrophobicContact CB-CD2 4.14Å; I285-F293 HydrophobicContact CB-CE2 3.98Å; I285-F293 HydrophobicContact CD1-CE2 4.06Å; I285-F293 HydrophobicContact CG1-CE2 4.24Å; I285-F293 HydrophobicContact CG2-CD2 4.5Å; C287-F293 HydrophobicContact CB-CB 4.01Å; C287-F293 PolarHBondContact SG-N 3.47Å; S289-F293 PolarHBondContact O-N 3.1Å; S289-F293 VanDerWaalsContact O-N 3.12Å; Y290-F293 AromaticContact CD2-CD1 3.71Å; Y290-F293 HydrophobicContact CD2-CD1 3.71Å; Y290-F293 HydrophobicContact CD2-CE1 4.35Å; Y290-F293 AromaticContact CE2-CD1 3.72Å; Y290-F293 HydrophobicContact CE2-CD1 3.72Å; Y290-F293 AromaticContact CE2-CE1 3.95Å; Y290-F293 HydrophobicContact CE2-CE1 3.95Å; Y290-F293 WeakPolarHBondContact O-CB 3.33Å; Y290-F293 PolarHBondContact O-N 2.76Å; E291-F293 VanDerWaalsContact C-N 3.32Å; E291-F293 PolarHBondContact O-N 3.43Å; F293-K295 PolarHBondContact O-N 2.99Å; F293-G296 PolarHBondContact O-N 2.9Å; F293-F331 HydrophobicContact CB-CB 3.96Å; F293-F331 HydrophobicContact CB-CD2 4.13Å; F293-F331 HydrophobicContact CB-CG 4.13Å; F293-F331 HydrophobicContact CD1-CB 3.65Å; F293-F331 HydrophobicContact CD1-CG 4.45Å; F293-F331 HydrophobicContact CD2-CB 3.83Å; F293-F331 HydrophobicContact CE1-CB 4.03Å; F293-F331 HydrophobicContact CE2-CB 4.18Å; F293-F331 HydrophobicContact CG-CB 3.52Å; F293-F331 HydrophobicContact CG-CG 4.23Å; F293-F331 HydrophobicContact CZ-CB 4.26Å; F293-L333 HydrophobicContact CE1-CD1 4.44Å; F293-L333 HydrophobicContact CE1-CD2 3.98Å; F293-L333 HydrophobicContact CE1-CG 3.87Å; F293-L333 HydrophobicContact CZ-CG 4.16Å; F293-H344 AromaticContact CZ-CD2 3.56Å; F293-H344 AromaticContact CZ-NE2 3.79Å; F293-V387 HydrophobicContact CE2-CG1 4.44Å; F293-V387 HydrophobicContact CZ-CG1 4.11Å; F293-V387 WeakPolarHBondContact O-CG2 3.38Å
294	L	97.8	Very high	95.6	Very high	51 Å²	51	40.1 Å²	40.1	27%	0.267	24%	0.239	S	C	.	.	H	α-helix	trans	-62.3	-30.2	178.1	-75.9	-177.6	0	0	0	112.8	Y290 E291 G296 L333 T386 V387	Y290-L294 HydrophobicContact CD1-CD1 4.03Å; Y290-L294 HydrophobicContact CD1-CG 4.45Å; Y290-L294 HydrophobicContact CD2-CG 4.31Å; Y290-L294 HydrophobicContact CE1-CD1 3.54Å; Y290-L294 HydrophobicContact CE1-CG 4.1Å; Y290-L294 HydrophobicContact CE2-CD1 4.28Å; Y290-L294 HydrophobicContact CE2-CD2 4.07Å; Y290-L294 HydrophobicContact CE2-CG 3.91Å; Y290-L294 WeakPolarHBondContact O-CG 3.33Å; Y290-L294 PolarHBondContact O-N 3.34Å; E291-L294 PolarHBondContact O-N 2.86Å; L294-G296 PolarHBondContact O-N 3.44Å; L294-L333 HydrophobicContact CD2-CD1 4.49Å; L294-L333 HydrophobicContact CD2-CD2 4.16Å; L294-T386 CarbonylContact O-C 3.55Å; L294-T386 WeakPolarHBondContact O-CA 3.5Å; L294-V387 PolarHBondContact O-N 3.23Å
295	K	97.1	Very high	95.2	Very high	94 Å²	94	47.4 Å²	47.4	41%	0.409	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-2.8	174.6	-72.3	173.7	-175.2	170.3	0	113.7	E291 D292 F293 S297 R385	E291-K295 HydrophobicContact CG-CD 4.25Å; E291-K295 WeakPolarHBondContact O-CB 3.18Å; E291-K295 WeakPolarHBondContact O-CG 3.16Å; E291-K295 PolarHBondContact O-N 3.07Å; E291-K295 VanDerWaalsContact OE1-CE 3.25Å; E291-K295 WeakPolarHBondContact OE1-CE 3.44Å; E291-K295 IonicContact OE1-NZ 3.03Å; E291-K295 PolarHBondContact OE1-NZ 3.18Å; D292-K295 PolarHBondContact O-N 2.7Å; F293-K295 PolarHBondContact O-N 2.99Å; K295-S297 VanDerWaalsContact C-N 3.26Å; K295-S297 PolarHBondContact O-N 2.78Å; K295-R385 WeakPolarHBondContact O-CB 3.32Å
296	G	96.6	Very high	94.7	Very high	0 Å²	0	50 Å²	50	0%	0	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	25.6	-176.4	0	0	0	0	0	113.4	D292 F293 L294 C298 V299 R385	D292-G296 PolarHBondContact O-N 2.8Å; F293-G296 PolarHBondContact O-N 2.9Å; L294-G296 PolarHBondContact O-N 3.44Å; G296-C298 PolarHBondContact O-N 2.54Å; G296-V299 VanDerWaalsContact O-CG1 3.26Å; G296-V299 WeakPolarHBondContact O-CG1 3.32Å; G296-R385 VanDerWaalsContact O-CZ 3.31Å; G296-R385 PolarHBondContact O-NH2 2.96Å
297	S	96.8	Very high	94.5	Very high	75 Å²	75	56.7 Å²	56.7	52%	0.524	32%	0.321	S	S	.	.			trans	-71.5	-22	174.2	-58.6	0	0	0	0	111.9	D292 K295	D292-S297 WeakPolarHBondContact O-CB 3.09Å; D292-S297 PolarHBondContact O-N 3.42Å; D292-S297 PolarHBondContact O-OG 2.74Å; K295-S297 VanDerWaalsContact C-N 3.26Å; K295-S297 PolarHBondContact O-N 2.78Å
298	C	96.1	Very high	94.3	Very high	26 Å²	26	57 Å²	57	18%	0.176	32%	0.324	C	S	.	.			trans	-117.7	116.4	176.7	-56.5	0	0	0	0	108.8	I285 P286 C287 G296	I285-C298 HydrophobicContact CG2-CB 4.29Å; P286-C298 WeakPolarHBondContact O-CB 3.43Å; C287-C298 WeakPolarHBondContact CA-SG 3.34Å; C287-C298 HydrophobicContact CB-CB 3.61Å; C287-C298 WeakPolarHBondContact CB-SG 3.49Å; C287-C298 WeakPolarHBondContact SG-CB 3.42Å; C287-C298 CovalentContact SG-SG 2.04Å; C287-C298 PolarHBondContact SG-SG 3.3Å; G296-C298 PolarHBondContact O-N 2.54Å
299	V	93.6	Very high	94.3	Very high	31 Å²	31	53.7 Å²	53.7	19%	0.188	30%	0.296	C	S	.	.			trans	-124	-11.3	-168.1	-64.4	0	0	0	0	114.2	G296 L346 L425 P426 L427	G296-V299 VanDerWaalsContact O-CG1 3.26Å; G296-V299 WeakPolarHBondContact O-CG1 3.32Å; V299-L346 HydrophobicContact CG1-CD2 4.14Å; V299-L425 HydrophobicContact CB-CD2 4.04Å; V299-L425 HydrophobicContact CG1-CD2 4.2Å; V299-P426 CarbonylContact O-C 3.36Å; V299-P426 WeakPolarHBondContact O-CA 3.46Å; V299-L427 HydrophobicContact CB-CD1 3.62Å; V299-L427 HydrophobicContact CB-CG 3.91Å; V299-L427 HydrophobicContact CG1-CD1 4.08Å; V299-L427 HydrophobicContact CG2-CD1 3.85Å; V299-L427 HydrophobicContact CG2-CG 4.44Å; V299-L427 PolarHBondContact O-N 2.93Å
300	D	91.5	Very high	94.3	Very high	83 Å²	83	52.4 Å²	52.4	44%	0.444	29%	0.288	S	S	.	.			trans	-139.9	-179.1	-177.9	68.8	49	0	0	0	111.6	G302	D300-G302 PolarHBondContact OD1-N 3.43Å
301	C	92.4	Very high	94.3	Very high	2 Å²	2	50 Å²	50	1%	0.014	28%	0.278	C	S	.	.			trans	-118	41.7	178.6	-67	0	0	0	0	111.8	P286 V303 F304 G306 C308	P286-C301 WeakPolarHBondContact CD-SG 3.47Å; C301-V303 PolarHBondContact O-N 2.98Å; C301-F304 HydrophobicContact CB-CD2 4.32Å; C301-F304 CarbonylContact O-C 3.57Å; C301-F304 WeakPolarHBondContact O-CA 3.5Å; C301-F304 PolarHBondContact O-N 3.13Å; C301-G306 WeakPolarHBondContact O-CA 3.47Å; C301-G306 PolarHBondContact O-N 2.74Å; C301-C308 HydrophobicContact CB-CB 3.82Å; C301-C308 WeakPolarHBondContact CB-SG 3.37Å; C301-C308 WeakPolarHBondContact SG-CA 3.42Å; C301-C308 WeakPolarHBondContact SG-CB 3.24Å; C301-C308 CovalentContact SG-SG 2Å; C301-C308 PolarHBondContact SG-SG 2.91Å
302	G	89.6	Confident	94.2	Very high	49 Å²	49	44.4 Å²	44.4	51%	0.505	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-54	-37.3	179.8	0	0	0	0	0	113.6	D300 F304 K305	D300-G302 PolarHBondContact OD1-N 3.43Å; G302-F304 PolarHBondContact O-N 3.13Å; G302-F304 VanDerWaalsContact O-N 3.1Å; G302-K305 PolarHBondContact O-N 3.34Å
303	V	90.2	Very high	94.1	Very high	78 Å²	78	44 Å²	44	47%	0.473	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-55.5	-29.2	174.3	-179.5	0	0	0	0	112.1	C301	C301-V303 PolarHBondContact O-N 2.98Å
304	F	91.7	Very high	93.9	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-105.7	26.1	179.6	-55.7	-65.8	0	0	0	113.2	V236 P286 C301 G302 G306 R307 P309 I319 T321 P325 Q328 V330	V236-F304 HydrophobicContact CG2-CE1 4.41Å; V236-F304 HydrophobicContact CG2-CZ 4.39Å; P286-F304 HydrophobicContact CB-CE2 3.93Å; P286-F304 HydrophobicContact CG-CD2 4.13Å; P286-F304 HydrophobicContact CG-CE2 3.99Å; C301-F304 HydrophobicContact CB-CD2 4.32Å; C301-F304 CarbonylContact O-C 3.57Å; C301-F304 WeakPolarHBondContact O-CA 3.5Å; C301-F304 PolarHBondContact O-N 3.13Å; G302-F304 PolarHBondContact O-N 3.13Å; G302-F304 VanDerWaalsContact O-N 3.1Å; F304-G306 PolarHBondContact O-N 3.4Å; F304-R307 WeakPolarHBondContact CB-O 3.42Å; F304-R307 PolarHBondContact O-N 2.79Å; F304-P309 VanDerWaalsContact CD2-CD 3.43Å; F304-P309 HydrophobicContact CD2-CG 4.21Å; F304-P309 VanDerWaalsContact CE2-CD 3.41Å; F304-P309 HydrophobicContact CE2-CG 3.69Å; F304-P309 HydrophobicContact CZ-CG 3.97Å; F304-I319 HydrophobicContact CB-CB 4.49Å; F304-I319 HydrophobicContact CB-CG2 4.31Å; F304-I319 HydrophobicContact CD1-CB 4.07Å; F304-I319 HydrophobicContact CD1-CD1 4.41Å; F304-I319 HydrophobicContact CD1-CG2 3.69Å; F304-I319 HydrophobicContact CE1-CD1 4.42Å; F304-I319 HydrophobicContact CE1-CG2 4.08Å; F304-I319 HydrophobicContact CG-CG2 4.04Å; F304-T321 WeakPolarHBondContact CA-OG1 3.48Å; F304-P325 HydrophobicContact CD1-CG 4.35Å; F304-P325 HydrophobicContact CE1-CG 4.01Å; F304-Q328 HydrophobicContact CE1-CB 4.46Å; F304-Q328 HydrophobicContact CE1-CG 4.3Å; F304-Q328 HydrophobicContact CE2-CG 4.01Å; F304-Q328 HydrophobicContact CZ-CB 3.92Å; F304-Q328 HydrophobicContact CZ-CG 3.45Å; F304-Q328 VanDerWaalsContact CZ-CG 3.45Å; F304-V330 HydrophobicContact CE2-CG1 3.89Å; F304-V330 HydrophobicContact CZ-CG1 4.12Å
305	K	88.9	Confident	93.7	Very high	154 Å²	154	53 Å²	53	67%	0.67	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	36.6	-175.3	-58.8	-177.9	176.7	179.1	0	113	G302 R307	G302-K305 PolarHBondContact O-N 3.34Å; K305-R307 VanDerWaalsContact C-N 3.33Å; K305-R307 PolarHBondContact O-N 2.8Å
306	G	86.9	Confident	93.5	Very high	55 Å²	55	51.6 Å²	51.6	57%	0.567	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-6.5	176.8	0	0	0	0	0	115.2	C301 F304	C301-G306 WeakPolarHBondContact O-CA 3.47Å; C301-G306 PolarHBondContact O-N 2.74Å; F304-G306 PolarHBondContact O-N 3.4Å
307	R	91.2	Very high	93.4	Very high	152 Å²	152	51.6 Å²	51.6	57%	0.574	29%	0.285	S	S	*	.			trans	-104.6	103	176.7	-172.4	167.1	179.9	177.3	0.5	110.8	F304 K305 G318	F304-R307 WeakPolarHBondContact CB-O 3.42Å; F304-R307 PolarHBondContact O-N 2.79Å; K305-R307 VanDerWaalsContact C-N 3.33Å; K305-R307 PolarHBondContact O-N 2.8Å; R307-G318 WeakPolarHBondContact CD-O 3.39Å; R307-G318 WeakPolarHBondContact CG-O 3.24Å; R307-G318 PolarHBondContact NE-O 2.84Å
308	C	94.5	Very high	93.2	Very high	14 Å²	14	48.6 Å²	48.6	10%	0.095	27%	0.266	C	S	.	.			trans	-61.1	143.4	177.5	-56.9	0	0	0	0	112.1	T283 C301 P426	T283-C308 HydrophobicContact CG2-CB 3.08Å; C301-C308 HydrophobicContact CB-CB 3.82Å; C301-C308 WeakPolarHBondContact CB-SG 3.37Å; C301-C308 WeakPolarHBondContact SG-CA 3.42Å; C301-C308 WeakPolarHBondContact SG-CB 3.24Å; C301-C308 CovalentContact SG-SG 2Å; C301-C308 PolarHBondContact SG-SG 2.91Å; C308-P426 VanDerWaalsContact SG-CG 3.55Å
309	P	96.5	Very high	93	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.26	C	S	.	.			trans	-68.9	143.5	173.7	28.3	-34.1	0	0	0	110.6	V236 F238 T283 G284 F304 S317 I319 V330	V236-P309 HydrophobicContact CG1-CB 3.95Å; V236-P309 HydrophobicContact CG1-CG 3.88Å; V236-P309 HydrophobicContact CG2-CB 4.48Å; F238-P309 HydrophobicContact CE1-CB 4.21Å; F238-P309 HydrophobicContact CE1-CG 4.36Å; F238-P309 HydrophobicContact CZ-CB 3.89Å; F238-P309 HydrophobicContact CZ-CG 4.43Å; T283-P309 WeakPolarHBondContact CA-O 3.42Å; G284-P309 PolarHBondContact N-O 3.49Å; G284-P309 WeakPolarHBondContact O-CD 3.13Å; F304-P309 VanDerWaalsContact CD2-CD 3.43Å; F304-P309 HydrophobicContact CD2-CG 4.21Å; F304-P309 VanDerWaalsContact CE2-CD 3.41Å; F304-P309 HydrophobicContact CE2-CG 3.69Å; F304-P309 HydrophobicContact CZ-CG 3.97Å; P309-S317 CarbonylContact C-O 3.5Å; P309-S317 VanDerWaalsContact CA-O 3.28Å; P309-S317 WeakPolarHBondContact CA-O 3.29Å; P309-I319 HydrophobicContact CB-CG2 3.66Å; P309-I319 HydrophobicContact CG-CG2 4.38Å; P309-V330 HydrophobicContact CG-CB 4.43Å; P309-V330 HydrophobicContact CG-CG1 3.79Å; P309-V330 HydrophobicContact CG-CG2 4.26Å
310	A	97	Very high	92.5	Very high	11 Å²	11	49.5 Å²	49.5	9%	0.091	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-123.6	147.9	175.4	0	0	0	0	0	111.1	L282 S317	L282-A310 WeakPolarHBondContact O-CA 3.3Å; A310-S317 PolarHBondContact N-O 3.24Å; A310-S317 WeakPolarHBondContact O-CB 3.4Å
311	I	97.9	Very high	92.1	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	26%	0.262	C	S	.	.	S	Bend	trans	-69.7	134.8	172.8	-59.9	169.8	0	0	0	108.4	I220 F238 L240 V271 Y272 A275 L282 L332	I220-I311 HydrophobicContact CD1-CD1 4.12Å; I220-I311 HydrophobicContact CD1-CG1 4.25Å; I220-I311 HydrophobicContact CD1-CG2 3.62Å; I220-I311 HydrophobicContact CG1-CD1 4.48Å; F238-I311 HydrophobicContact CB-CD1 4.29Å; F238-I311 HydrophobicContact CB-CG1 4.48Å; F238-I311 HydrophobicContact CD1-CD1 4.11Å; F238-I311 HydrophobicContact CD1-CG1 3.69Å; F238-I311 HydrophobicContact CD2-CG1 4.06Å; F238-I311 HydrophobicContact CE1-CG1 3.78Å; F238-I311 HydrophobicContact CE2-CG1 4.14Å; F238-I311 HydrophobicContact CG-CD1 4.16Å; F238-I311 HydrophobicContact CG-CG1 3.83Å; F238-I311 HydrophobicContact CZ-CG1 4Å; L240-I311 HydrophobicContact CD1-CD1 4.01Å; V271-I311 HydrophobicContact CG1-CD1 3.82Å; Y272-I311 HydrophobicContact CD2-CG2 3.85Å; A275-I311 HydrophobicContact CB-CB 4.2Å; A275-I311 HydrophobicContact CB-CG2 3.8Å; A275-I311 WeakPolarHBondContact CB-O 3.47Å; L282-I311 HydrophobicContact CB-CB 4.21Å; L282-I311 HydrophobicContact CB-CD1 4.26Å; L282-I311 PolarHBondContact O-N 3.07Å; I311-L332 HydrophobicContact CD1-CD1 4.22Å
312	G	95.8	Very high	91.7	Very high	1 Å²	1	51 Å²	51	1%	0.01	29%	0.293	C	S	.	.	S	Bend	trans	145.1	-163.9	178.7	0	0	0	0	0	113.7	R189	R189-G312 VanDerWaalsContact CZ-O 3.29Å; R189-G312 PolarHBondContact NH1-O 3.46Å; R189-G312 PolarHBondContact NH2-O 2.7Å
313	L	95.5	Very high	91.5	Very high	43 Å²	43	54.1 Å²	54.1	23%	0.225	30%	0.304	C	S	.	.	S	Bend	trans	-89.7	5.7	-177.7	-65.1	-176.8	0	0	0	114.8	L111 A114 Q115 L276 E315	L111-L313 HydrophobicContact CD2-CD1 4.47Å; L111-L313 HydrophobicContact CD2-CD2 4.11Å; A114-L313 HydrophobicContact CB-CD1 3.71Å; Q115-L313 HydrophobicContact CB-CD1 3.97Å; L276-L313 HydrophobicContact CD2-CD1 3.91Å; L276-L313 HydrophobicContact CD2-CD2 3.87Å; L276-L313 HydrophobicContact CD2-CG 3.45Å; L276-L313 VanDerWaalsContact CD2-CG 3.45Å; L313-E315 PolarHBondContact O-N 3.09Å
314	Q	94.4	Very high	91.3	Very high	84 Å²	84	51.7 Å²	51.7	39%	0.393	29%	0.289	S	S	.	.	S	Bend	trans	-59.7	141.1	177.4	-56.6	79.2	11.2	0	0	109.8	R189 K316 S317	R189-Q314 PolarHBondContact NH1-O 3.37Å; R189-Q314 VanDerWaalsContact NH1-O 3.16Å; Q314-K316 PolarHBondContact O-N 3.32Å; Q314-S317 PolarHBondContact O-N 2.98Å; Q314-S317 VanDerWaalsContact O-N 3.11Å
315	E	92.7	Very high	91.1	Very high	156 Å²	156	53 Å²	53	73%	0.729	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-57	128.2	175.5	-169.9	-173.8	163.1	0	0	109.3	L313 S317 G318	L313-E315 PolarHBondContact O-N 3.09Å; E315-S317 PolarHBondContact O-N 2.89Å; E315-S317 VanDerWaalsContact O-N 3.13Å; E315-G318 PolarHBondContact O-N 2.89Å
316	K	93.3	Very high	90.9	Very high	66 Å²	66	53.1 Å²	53.1	29%	0.287	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	50.5	36.2	-177.2	-60.1	164.6	-179.2	173	0	113.4	F216 Q314 G318 I319 V324	F216-K316 HydrophobicContact CB-CG 4.34Å; F216-K316 HydrophobicContact CD2-CB 3.91Å; F216-K316 HydrophobicContact CD2-CG 3.87Å; F216-K316 HydrophobicContact CE2-CB 3.91Å; F216-K316 HydrophobicContact CE2-CG 4.38Å; F216-K316 HydrophobicContact CG-CB 4.27Å; F216-K316 HydrophobicContact CG-CG 4.08Å; F216-K316 HydrophobicContact CZ-CB 4.27Å; Q314-K316 PolarHBondContact O-N 3.32Å; K316-G318 PolarHBondContact O-N 2.76Å; K316-G318 VanDerWaalsContact O-N 3.1Å; K316-I319 HydrophobicContact CB-CD1 4.13Å; K316-I319 HydrophobicContact CB-CG1 3.85Å; K316-I319 WeakPolarHBondContact O-CD1 3.23Å; K316-I319 WeakPolarHBondContact O-CG1 3.25Å; K316-I319 PolarHBondContact O-N 3.42Å; K316-V324 HydrophobicContact CD-CG2 3.75Å; K316-V324 HydrophobicContact CG-CG2 4.28Å
317	S	94.9	Very high	91.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	57.2	24.8	-175.3	-57.1	0	0	0	0	114	F216 P309 A310 Q314 E315	F216-S317 VanDerWaalsContact CE1-OG 3.29Å; F216-S317 WeakPolarHBondContact CE1-OG 3.44Å; F216-S317 WeakPolarHBondContact CZ-OG 3.2Å; P309-S317 CarbonylContact C-O 3.5Å; P309-S317 VanDerWaalsContact CA-O 3.28Å; P309-S317 WeakPolarHBondContact CA-O 3.29Å; A310-S317 PolarHBondContact N-O 3.24Å; A310-S317 WeakPolarHBondContact O-CB 3.4Å; Q314-S317 PolarHBondContact O-N 2.98Å; Q314-S317 VanDerWaalsContact O-N 3.11Å; E315-S317 PolarHBondContact O-N 2.89Å; E315-S317 VanDerWaalsContact O-N 3.13Å
318	G	92.7	Very high	91.5	Very high	12 Å²	12	49.5 Å²	49.5	12%	0.124	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	82.8	3	178.4	0	0	0	0	0	115.2	R307 E315 K316	R307-G318 WeakPolarHBondContact CD-O 3.39Å; R307-G318 WeakPolarHBondContact CG-O 3.24Å; R307-G318 PolarHBondContact NE-O 2.84Å; E315-G318 PolarHBondContact O-N 2.89Å; K316-G318 PolarHBondContact O-N 2.76Å; K316-G318 VanDerWaalsContact O-N 3.1Å
319	I	92.1	Very high	91.7	Very high	12 Å²	12	52.6 Å²	52.6	6%	0.062	29%	0.288	C	S	.	.			trans	-72.3	144	178.2	74.6	-163.9	0	0	0	111	F216 V236 F304 P309 K316 V324	F216-I319 HydrophobicContact CE2-CD1 4.08Å; V236-I319 HydrophobicContact CG2-CD1 4.49Å; F304-I319 HydrophobicContact CB-CB 4.49Å; F304-I319 HydrophobicContact CB-CG2 4.31Å; F304-I319 HydrophobicContact CD1-CB 4.07Å; F304-I319 HydrophobicContact CD1-CD1 4.41Å; F304-I319 HydrophobicContact CD1-CG2 3.69Å; F304-I319 HydrophobicContact CE1-CD1 4.42Å; F304-I319 HydrophobicContact CE1-CG2 4.08Å; F304-I319 HydrophobicContact CG-CG2 4.04Å; P309-I319 HydrophobicContact CB-CG2 3.66Å; P309-I319 HydrophobicContact CG-CG2 4.38Å; K316-I319 HydrophobicContact CB-CD1 4.13Å; K316-I319 HydrophobicContact CB-CG1 3.85Å; K316-I319 WeakPolarHBondContact O-CD1 3.23Å; K316-I319 WeakPolarHBondContact O-CG1 3.25Å; K316-I319 PolarHBondContact O-N 3.42Å; I319-V324 HydrophobicContact CD1-CG1 3.94Å; I319-V324 HydrophobicContact CD1-CG2 4.47Å
320	A	83.3	Confident	91.8	Very high	64 Å²	64	52.6 Å²	52.6	53%	0.529	29%	0.288	S	S	.	.			trans	-99.1	3	-180	0	0	0	0	0	113.5
321	T	83.7	Confident	91.8	Very high	22 Å²	22	52.4 Å²	52.4	14%	0.135	29%	0.285	C	S	.	.			trans	-80.4	137.7	-174.5	-51	0	0	0	0	111.6	F304 P323	F304-T321 WeakPolarHBondContact CA-OG1 3.48Å; T321-P323 WeakPolarHBondContact CG2-O 3.46Å
322	S	83.3	Confident	91.9	Very high	95 Å²	95	52.3 Å²	52.3	66%	0.664	28%	0.284	S	S	*	.	S	Bend	trans	-139.8	124.5	172.6	-176.3	0	0	0	0	108.6
323	P	84.2	Confident	92	Very high	113 Å²	113	52.9 Å²	52.9	73%	0.734	29%	0.287	S	S	*	.	S	Bend	cis	-65.6	156.6	-2.6	30.2	-35.2	0	0	0	112.4	T321	T321-P323 WeakPolarHBondContact CG2-O 3.46Å
324	V	86	Confident	92	Very high	28 Å²	28	50.9 Å²	50.9	17%	0.17	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-64.1	135.4	174.1	177.8	0	0	0	0	108.2	F216 H235 K316 I319 Q326	F216-V324 HydrophobicContact CD2-CG1 4.05Å; F216-V324 HydrophobicContact CE2-CG1 3.99Å; H235-V324 HydrophobicContact CB-CG1 3.77Å; K316-V324 HydrophobicContact CD-CG2 3.75Å; K316-V324 HydrophobicContact CG-CG2 4.28Å; I319-V324 HydrophobicContact CD1-CG1 3.94Å; I319-V324 HydrophobicContact CD1-CG2 4.47Å; V324-Q326 PolarHBondContact O-N 2.8Å
325	P	87.8	Confident	92	Very high	28 Å²	28	48.5 Å²	48.5	18%	0.182	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-54.6	137.5	173.9	-25.3	35	0	0	0	110.8	F304 Q327	F304-P325 HydrophobicContact CD1-CG 4.35Å; F304-P325 HydrophobicContact CE1-CG 4.01Å; P325-Q327 VanDerWaalsContact C-N 3.26Å; P325-Q327 PolarHBondContact O-N 2Å
326	Q	85.8	Confident	92.1	Very high	156 Å²	156	44.2 Å²	44.2	73%	0.729	26%	0.255	S	S	*	.	S	Bend	trans	-60.3	-38.1	-174.6	-171.9	175.3	5.2	0	0	112.1	P211 V324	P211-Q326 WeakPolarHBondContact CB-O 3.41Å; P211-Q326 VanDerWaalsContact CG-O 3.31Å; P211-Q326 WeakPolarHBondContact CG-O 3.09Å; V324-Q326 PolarHBondContact O-N 2.8Å
327	Q	94.4	Very high	92	Very high	89 Å²	89	44.5 Å²	44.5	42%	0.416	27%	0.265	S	S	.	.			trans	-162.4	122.1	179.6	-165.9	179.1	-86.7	0	0	110	P232 G234 P325	P232-Q327 HydrophobicContact CB-CG 3.69Å; P232-Q327 VanDerWaalsContact CG-CD 3.44Å; P232-Q327 HydrophobicContact CG-CG 4.07Å; G234-Q327 WeakPolarHBondContact O-CG 3.15Å; P325-Q327 VanDerWaalsContact C-N 3.26Å; P325-Q327 PolarHBondContact O-N 2Å
328	Q	96.3	Very high	91.9	Very high	41 Å²	41	47.5 Å²	47.5	19%	0.192	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	121.3	-179.3	-174.9	58.7	60.4	0	0	111.5	H235 V236 D237 P286 F304 V330	H235-Q328 PolarHBondContact O-N 3.42Å; V236-Q328 WeakPolarHBondContact CA-O 3.26Å; D237-Q328 PolarHBondContact N-O 2.81Å; P286-Q328 HydrophobicContact CB-CG 4.15Å; F304-Q328 HydrophobicContact CE1-CB 4.46Å; F304-Q328 HydrophobicContact CE1-CG 4.3Å; F304-Q328 HydrophobicContact CE2-CG 4.01Å; F304-Q328 HydrophobicContact CZ-CB 3.92Å; F304-Q328 HydrophobicContact CZ-CG 3.45Å; F304-Q328 VanDerWaalsContact CZ-CG 3.45Å; Q328-V330 HydrophobicContact CG-CG1 4.17Å
329	K	98.1	Very high	92	Very high	80 Å²	80	49.6 Å²	49.6	35%	0.348	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	131.9	169.3	-60.9	-173.6	-118.2	163.8	0	109.9	P232 F239 P286 C287 A288 F331	P232-K329 HydrophobicContact CB-CG 4.46Å; F239-K329 HydrophobicContact CD2-CB 4.29Å; F239-K329 HydrophobicContact CD2-CG 4.36Å; F239-K329 HydrophobicContact CE2-CB 4.19Å; F239-K329 HydrophobicContact CE2-CD 3.99Å; F239-K329 HydrophobicContact CE2-CG 3.78Å; F239-K329 HydrophobicContact CZ-CD 4.44Å; P286-K329 WeakPolarHBondContact CA-O 3.43Å; C287-K329 PolarHBondContact N-O 3.23Å; A288-K329 PolarHBondContact O-NZ 2.86Å; K329-F331 HydrophobicContact CB-CE2 4.11Å; K329-F331 HydrophobicContact CB-CZ 4.25Å; K329-F331 HydrophobicContact CD-CZ 4.47Å
330	V	98.4	Very high	92.2	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.3	172.5	-56.7	0	0	0	0	109.7	V236 D237 F238 F239 I285 P286 F304 P309 Q328	V236-V330 HydrophobicContact CG1-CG1 4.15Å; V236-V330 HydrophobicContact CG1-CG2 3.74Å; D237-V330 PolarHBondContact O-N 2.84Å; F238-V330 WeakPolarHBondContact CA-O 3.39Å; F238-V330 HydrophobicContact CB-CG2 4.25Å; F238-V330 HydrophobicContact CD1-CG2 3.35Å; F238-V330 HydrophobicContact CD2-CG2 4.44Å; F238-V330 HydrophobicContact CE1-CG2 3.74Å; F238-V330 HydrophobicContact CG-CG2 3.75Å; F238-V330 HydrophobicContact CZ-CG2 4.44Å; F239-V330 PolarHBondContact N-O 2.83Å; I285-V330 CarbonylContact O-C 3.45Å; I285-V330 VanDerWaalsContact O-CA 3.32Å; I285-V330 WeakPolarHBondContact O-CA 3.4Å; P286-V330 HydrophobicContact CB-CG1 4.21Å; F304-V330 HydrophobicContact CE2-CG1 3.89Å; F304-V330 HydrophobicContact CZ-CG1 4.12Å; P309-V330 HydrophobicContact CG-CB 4.43Å; P309-V330 HydrophobicContact CG-CG1 3.79Å; P309-V330 HydrophobicContact CG-CG2 4.26Å; Q328-V330 HydrophobicContact CG-CG1 4.17Å
331	F	98.6	Very high	92.7	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.031	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.7	-176	-61.1	-85	0	0	0	110	F239 I285 C287 Y290 F293 K329	F239-F331 HydrophobicContact CB-CD1 3.5Å; F239-F331 HydrophobicContact CB-CE1 3.5Å; F239-F331 HydrophobicContact CD2-CE1 4.23Å; F239-F331 HydrophobicContact CG-CD1 4.36Å; F239-F331 AromaticContact CG-CE1 3.88Å; F239-F331 HydrophobicContact CG-CE1 3.88Å; I285-F331 PolarHBondContact N-O 3.39Å; I285-F331 PolarHBondContact O-N 2.83Å; C287-F331 HydrophobicContact CB-CD2 3.68Å; C287-F331 HydrophobicContact CB-CE2 3.95Å; C287-F331 WeakPolarHBondContact O-CE2 3.36Å; Y290-F331 HydrophobicContact CD2-CB 4.34Å; Y290-F331 AromaticContact CD2-CD1 3.64Å; Y290-F331 HydrophobicContact CD2-CD1 3.64Å; Y290-F331 HydrophobicContact CD2-CE1 4.34Å; Y290-F331 HydrophobicContact CD2-CG 4.21Å; Y290-F331 HydrophobicContact CG-CD1 4.14Å; Y290-F331 HydrophobicContact CG-CE1 4.4Å; Y290-F331 VanDerWaalsContact N-CZ 3.34Å; F293-F331 HydrophobicContact CB-CB 3.96Å; F293-F331 HydrophobicContact CB-CD2 4.13Å; F293-F331 HydrophobicContact CB-CG 4.13Å; F293-F331 HydrophobicContact CD1-CB 3.65Å; F293-F331 HydrophobicContact CD1-CG 4.45Å; F293-F331 HydrophobicContact CD2-CB 3.83Å; F293-F331 HydrophobicContact CE1-CB 4.03Å; F293-F331 HydrophobicContact CE2-CB 4.18Å; F293-F331 HydrophobicContact CG-CB 3.52Å; F293-F331 HydrophobicContact CG-CG 4.23Å; F293-F331 HydrophobicContact CZ-CB 4.26Å; K329-F331 HydrophobicContact CB-CE2 4.11Å; K329-F331 HydrophobicContact CB-CZ 4.25Å; K329-F331 HydrophobicContact CD-CZ 4.47Å
332	L	98.1	Very high	93.2	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	160.8	170.5	66.3	170.8	0	0	0	109.9	F238 L240 N241 L282 T283 I311 H344	F238-L332 HydrophobicContact CB-CD2 4.16Å; F238-L332 HydrophobicContact CD1-CD2 4.1Å; L240-L332 HydrophobicContact CD1-CD2 3.52Å; L240-L332 HydrophobicContact CD1-CG 4.22Å; L240-L332 HydrophobicContact CG-CD2 3.92Å; L240-L332 HydrophobicContact CG-CG 4.12Å; N241-L332 PolarHBondContact N-O 2.86Å; L282-L332 HydrophobicContact CB-CD1 4.09Å; T283-L332 VanDerWaalsContact O-CB 3.31Å; T283-L332 WeakPolarHBondContact O-CB 3.44Å; I311-L332 HydrophobicContact CD1-CD1 4.22Å; L332-H344 WeakPolarHBondContact CA-NE2 3.35Å
333	L	97.8	Very high	93.7	Very high	13 Å²	13	45.2 Å²	45.2	7%	0.068	26%	0.262	C	S	.	.			trans	-108.8	151.6	175.6	-58.6	176	0	0	0	106.2	N241 Y290 F293 L294 A342 H344 V387 A389	N241-L333 WeakPolarHBondContact OD1-CA 3.45Å; Y290-L333 HydrophobicContact CE2-CD2 4Å; Y290-L333 VanDerWaalsContact OH-CD2 3.24Å; Y290-L333 WeakPolarHBondContact OH-CD2 2.97Å; F293-L333 HydrophobicContact CE1-CD1 4.44Å; F293-L333 HydrophobicContact CE1-CD2 3.98Å; F293-L333 HydrophobicContact CE1-CG 3.87Å; F293-L333 HydrophobicContact CZ-CG 4.16Å; L294-L333 HydrophobicContact CD2-CD1 4.49Å; L294-L333 HydrophobicContact CD2-CD2 4.16Å; L333-A342 WeakPolarHBondContact O-CB 3.44Å; L333-H344 PolarHBondContact N-NE2 2.87Å; L333-V387 HydrophobicContact CD1-CG1 4.26Å; L333-A389 HydrophobicContact CB-CB 3.71Å; L333-A389 HydrophobicContact CD1-CB 3.95Å; L333-A389 HydrophobicContact CG-CB 4.48Å
334	T	97.1	Very high	94.3	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	23%	0.23	C	C	.	.			trans	-135	152.5	177.6	61	0	0	0	0	111	L240 N241 T247 L282 F340	L240-T334 HydrophobicContact CD2-CG2 3.76Å; L240-T334 HydrophobicContact CG-CG2 4.05Å; N241-T334 PolarHBondContact ND2-OG1 3.49Å; N241-T334 PolarHBondContact OD1-N 2.85Å; T247-T334 PolarHBondContact OG1-O 2.91Å; L282-T334 HydrophobicContact CD2-CG2 4.45Å; T334-F340 WeakPolarHBondContact CA-O 3.3Å; T334-F340 WeakPolarHBondContact CB-O 3.44Å
335	T	94.7	Very high	94.8	Very high	33 Å²	33	39.1 Å²	39.1	20%	0.202	22%	0.222	C	C	.	.			trans	-75.1	166.6	169.9	51.5	0	0	0	0	111	T247 S337 F340 C341 A342 P391	T247-T335 PolarHBondContact OG1-O 2.94Å; T247-T335 VanDerWaalsContact OG1-O 3.12Å; T335-S337 VanDerWaalsContact C-N 3.3Å; T335-S337 PolarHBondContact O-N 2.8Å; T335-F340 PolarHBondContact N-O 3.49Å; T335-F340 WeakPolarHBondContact O-CD1 3.36Å; T335-F340 VanDerWaalsContact OG1-CA 3.24Å; T335-F340 WeakPolarHBondContact OG1-CA 3.38Å; T335-C341 WeakPolarHBondContact CG2-O 3.41Å; T335-C341 PolarHBondContact OG1-N 2.92Å; T335-C341 PolarHBondContact OG1-O 2.76Å; T335-C341 VanDerWaalsContact OG1-O 3.1Å; T335-A342 HydrophobicContact CG2-CB 4.39Å; T335-P391 HydrophobicContact CG2-CB 4.45Å; T335-P391 HydrophobicContact CG2-CG 4.13Å
336	S	93.5	Very high	95.3	Very high	66 Å²	66	38.1 Å²	38.1	46%	0.462	22%	0.215	S	C	.	.	S	Bend	trans	-72.3	-18.9	-170.9	50.6	0	0	0	0	114.9	T247 R267	T247-S336 WeakPolarHBondContact O-CA 3.34Å; T247-S336 WeakPolarHBondContact OG1-CA 3.5Å; T247-S336 PolarHBondContact OG1-N 2.93Å; R267-S336 PolarHBondContact NH1-O 3.3Å
337	S	92.6	Very high	95.8	Very high	73 Å²	73	30.7 Å²	30.7	51%	0.51	18%	0.18	S	C	.	.	S	Bend	trans	-136.5	155.7	-173.3	58.9	0	0	0	0	111.9	T335 F340	T335-S337 VanDerWaalsContact C-N 3.3Å; T335-S337 PolarHBondContact O-N 2.8Å; S337-F340 VanDerWaalsContact CA-CE1 3.47Å; S337-F340 VanDerWaalsContact O-CA 3.31Å; S337-F340 WeakPolarHBondContact O-CA 3.26Å; S337-F340 VanDerWaalsContact O-CD1 3.29Å; S337-F340 WeakPolarHBondContact O-CD1 3.43Å; S337-F340 PolarHBondContact O-N 2.86Å
338	A	92.5	Very high	96	Very high	62 Å²	62	27.9 Å²	27.9	51%	0.512	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	139.5	174.7	0	0	0	0	0	110.1	F340	A338-F340 VanDerWaalsContact C-N 3.32Å; A338-F340 VanDerWaalsContact CA-N 3.32Å; A338-F340 HydrophobicContact CB-CD2 4.29Å; A338-F340 HydrophobicContact CB-CE1 4.49Å; A338-F340 HydrophobicContact CB-CE2 3.8Å; A338-F340 HydrophobicContact CB-CZ 3.92Å
339	P	94.8	Very high	96.1	Very high	56 Å²	56	25.9 Å²	25.9	36%	0.364	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	cis	-81.4	11.9	9	31.3	-35.8	0	0	0	116.4	S274 T279 C341	S274-P339 WeakPolarHBondContact OG-CA 3.31Å; T279-P339 VanDerWaalsContact OG1-CB 3.26Å; T279-P339 WeakPolarHBondContact OG1-CB 3.28Å; P339-C341 VanDerWaalsContact CB-SG 3.53Å; P339-C341 HydrophobicContact CG-CB 4.44Å; P339-C341 WeakPolarHBondContact CG-SG 3.24Å; P339-C341 PolarHBondContact O-N 2.84Å
340	F	95.7	Very high	96.1	Very high	13 Å²	13	24.9 Å²	24.9	6%	0.057	16%	0.156	C	C	.	.			trans	62.4	9.5	179.6	-48.7	-66.2	0	0	0	114.7	R267 H270 V271 T334 T335 S337 A338 A342	R267-F340 VanDerWaalsContact NH1-CD1 3.28Å; H270-F340 HydrophobicContact CB-CE2 3.87Å; H270-F340 HydrophobicContact CB-CZ 3.88Å; H270-F340 WeakPolarHBondContact O-CE2 3.32Å; V271-F340 HydrophobicContact CB-CD2 4.49Å; V271-F340 HydrophobicContact CG2-CB 4.24Å; V271-F340 HydrophobicContact CG2-CD2 3.83Å; V271-F340 HydrophobicContact CG2-CE2 4.35Å; V271-F340 HydrophobicContact CG2-CG 3.98Å; T334-F340 WeakPolarHBondContact CA-O 3.3Å; T334-F340 WeakPolarHBondContact CB-O 3.44Å; T335-F340 PolarHBondContact N-O 3.49Å; T335-F340 WeakPolarHBondContact O-CD1 3.36Å; T335-F340 VanDerWaalsContact OG1-CA 3.24Å; T335-F340 WeakPolarHBondContact OG1-CA 3.38Å; S337-F340 VanDerWaalsContact CA-CE1 3.47Å; S337-F340 VanDerWaalsContact O-CA 3.31Å; S337-F340 WeakPolarHBondContact O-CA 3.26Å; S337-F340 VanDerWaalsContact O-CD1 3.29Å; S337-F340 WeakPolarHBondContact O-CD1 3.43Å; S337-F340 PolarHBondContact O-N 2.86Å; A338-F340 VanDerWaalsContact C-N 3.32Å; A338-F340 VanDerWaalsContact CA-N 3.32Å; A338-F340 HydrophobicContact CB-CD2 4.29Å; A338-F340 HydrophobicContact CB-CE1 4.49Å; A338-F340 HydrophobicContact CB-CE2 3.8Å; A338-F340 HydrophobicContact CB-CZ 3.92Å; F340-A342 PolarHBondContact O-N 3.08Å
341	C	92.9	Very high	96	Very high	20 Å²	20	24.9 Å²	24.9	14%	0.135	16%	0.156	C	C	.	.			trans	-60.2	131.2	-179.6	-52.6	0	0	0	0	110.7	C280 T335 P339	C280-C341 HydrophobicContact CB-CB 3.78Å; C280-C341 WeakPolarHBondContact CB-SG 3.44Å; C280-C341 WeakPolarHBondContact SG-CA 3.25Å; C280-C341 WeakPolarHBondContact SG-CB 3.49Å; C280-C341 CovalentContact SG-SG 2.01Å; C280-C341 PolarHBondContact SG-SG 3.24Å; T335-C341 WeakPolarHBondContact CG2-O 3.41Å; T335-C341 PolarHBondContact OG1-N 2.92Å; T335-C341 PolarHBondContact OG1-O 2.76Å; T335-C341 VanDerWaalsContact OG1-O 3.1Å; P339-C341 VanDerWaalsContact CB-SG 3.53Å; P339-C341 HydrophobicContact CG-CB 4.44Å; P339-C341 WeakPolarHBondContact CG-SG 3.24Å; P339-C341 PolarHBondContact O-N 2.84Å
342	A	94	Very high	95.8	Very high	16 Å²	16	26 Å²	26	13%	0.132	17%	0.165	C	C	.	.			trans	-141.9	134.6	167.8	0	0	0	0	0	108.9	L333 T335 F340 A389 H390	L333-A342 WeakPolarHBondContact O-CB 3.44Å; T335-A342 HydrophobicContact CG2-CB 4.39Å; F340-A342 PolarHBondContact O-N 3.08Å; A342-A389 HydrophobicContact CB-CB 3.77Å; A342-H390 WeakPolarHBondContact CA-O 3.12Å
343	H	94.6	Very high	95.6	Very high	53 Å²	53	30.6 Å²	30.6	25%	0.245	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	135.5	165.7	-66	-98.3	0	0	0	108.6	I345 H390 A393 E424	H343-I345 HydrophobicContact CB-CD1 4.32Å; H343-I345 PolarHBondContact O-N 2.64Å; H343-H390 PolarHBondContact N-O 3.43Å; H343-H390 PolarHBondContact O-N 3Å; H343-A393 PolarHBondContact CD2-N 2.96Å; H343-A393 VanDerWaalsContact CD2-N 3.28Å; H343-A393 WeakPolarHBondContact ND1-CA 3.05Å; H343-A393 PolarHBondContact NE2-N 3.27Å; H343-E424 IonicContact CE1-OE1 2.78Å; H343-E424 IonicContact CG-OE1 3.55Å; H343-E424 IonicContact ND1-OE1 3.4Å; H343-E424 PolarHBondContact ND1-OE1 2.85Å
344	H	96.8	Very high	95.3	Very high	12 Å²	12	30.6 Å²	30.6	6%	0.056	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	102.6	-178.1	-64.3	95.9	0	0	0	110.1	F293 L332 L333 V387 L388 E424 L425	F293-H344 AromaticContact CZ-CD2 3.56Å; F293-H344 AromaticContact CZ-NE2 3.79Å; L332-H344 WeakPolarHBondContact CA-NE2 3.35Å; L333-H344 PolarHBondContact N-NE2 2.87Å; H344-V387 HydrophobicContact CB-CG1 3.97Å; H344-L388 CarbonylContact C-O 3.55Å; H344-L388 WeakPolarHBondContact CA-O 3.13Å; H344-E424 CarbonylContact O-C 3.2Å; H344-E424 WeakPolarHBondContact O-CA 3.26Å; H344-L425 HydrophobicContact CB-CB 3.88Å; H344-L425 HydrophobicContact CB-CD1 4.45Å; H344-L425 HydrophobicContact CB-CG 4.39Å; H344-L425 PolarHBondContact O-N 3.44Å
345	I	96.7	Very high	94.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.5	-180	-50.6	-56.2	0	0	0	109.3	H343 L347 L364 V387 L388 H390 L394 I397 V422 S423 E424	H343-I345 HydrophobicContact CB-CD1 4.32Å; H343-I345 PolarHBondContact O-N 2.64Å; I345-L347 PolarHBondContact O-N 3.48Å; I345-L364 HydrophobicContact CB-CD1 4.3Å; I345-L364 HydrophobicContact CG2-CD1 3.81Å; I345-V387 WeakPolarHBondContact O-CA 3.39Å; I345-L388 PolarHBondContact N-O 2.93Å; I345-L388 PolarHBondContact O-N 2.83Å; I345-H390 HydrophobicContact CD1-CB 4.5Å; I345-H390 HydrophobicContact CG1-CB 3.63Å; I345-L394 HydrophobicContact CD1-CB 3.93Å; I345-L394 HydrophobicContact CD1-CD1 4.5Å; I345-I397 HydrophobicContact CD1-CD1 4.29Å; I345-I397 HydrophobicContact CG1-CD1 4.21Å; I345-V422 HydrophobicContact CG2-CB 4.07Å; I345-V422 HydrophobicContact CG2-CG1 4.2Å; I345-S423 CarbonylContact C-O 3.55Å; I345-S423 WeakPolarHBondContact CA-O 3.38Å; I345-E424 HydrophobicContact CD1-CB 4.32Å; I345-E424 HydrophobicContact CD1-CG 4.21Å
346	L	97.5	Very high	94.6	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.037	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	110.2	169.2	174.3	62.8	0	0	0	109.2	V299 V387 V422 S423 L425	V299-L346 HydrophobicContact CG1-CD2 4.14Å; L346-V387 HydrophobicContact CD1-CG2 4.12Å; L346-V422 VanDerWaalsContact O-CA 3.32Å; L346-V422 WeakPolarHBondContact O-CA 3.49Å; L346-S423 PolarHBondContact N-O 2.81Å; L346-S423 PolarHBondContact O-N 2.97Å; L346-L425 HydrophobicContact CB-CD1 4.43Å; L346-L425 HydrophobicContact CB-CD2 4.01Å; L346-L425 HydrophobicContact CB-CG 4.14Å; L346-L425 HydrophobicContact CD2-CD2 4.3Å
347	L	97.6	Very high	94.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.9	173.7	177	64.3	0	0	0	109.7	I345 V362 F375 R385 T386 L388 I400 V420 C421 V422	I345-L347 PolarHBondContact O-N 3.48Å; L347-V362 HydrophobicContact CD1-CG1 4.19Å; L347-V362 HydrophobicContact CD2-CB 3.9Å; L347-V362 HydrophobicContact CD2-CG1 3.77Å; L347-V362 HydrophobicContact CD2-CG2 4.23Å; L347-F375 HydrophobicContact CD2-CE2 3.52Å; L347-F375 HydrophobicContact CD2-CZ 3.77Å; L347-F375 HydrophobicContact CG-CE2 3.98Å; L347-F375 HydrophobicContact CG-CZ 3.95Å; L347-R385 CarbonylContact O-C 3.56Å; L347-R385 WeakPolarHBondContact O-CA 3.47Å; L347-T386 HydrophobicContact CB-CG2 4.05Å; L347-T386 HydrophobicContact CD2-CG2 4.25Å; L347-T386 PolarHBondContact N-O 3.1Å; L347-T386 PolarHBondContact O-N 2.88Å; L347-L388 HydrophobicContact CB-CD1 4.29Å; L347-L388 HydrophobicContact CD2-CD1 3.92Å; L347-I400 HydrophobicContact CD1-CD1 4.21Å; L347-V420 HydrophobicContact CD1-CG2 3.71Å; L347-C421 WeakPolarHBondContact CA-O 3.06Å; L347-V422 HydrophobicContact CD1-CG1 3.6Å
348	T	97.6	Very high	94.2	Very high	30 Å²	30	36.5 Å²	36.5	18%	0.184	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.6	175.4	-58.3	0	0	0	0	109.5	V383 Y384 R385 V420 C421	T348-V383 HydrophobicContact CG2-CG1 4.28Å; T348-Y384 CarbonylContact C-O 3.57Å; T348-Y384 WeakPolarHBondContact CA-O 3.35Å; T348-R385 HydrophobicContact CG2-CG 3.94Å; T348-V420 CarbonylContact O-C 3.55Å; T348-V420 WeakPolarHBondContact O-CA 3.07Å; T348-C421 PolarHBondContact N-O 2.83Å; T348-C421 PolarHBondContact O-N 2.82Å
349	L	97.8	Very high	94.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	117.9	178.4	-179	73.1	0	0	0	109	V351 V360 F375 L377 Y384 L402 V417 V420	L349-V351 HydrophobicContact CD2-CG1 4.19Å; L349-V351 HydrophobicContact CG-CG1 4.06Å; L349-V360 HydrophobicContact CD2-CB 4.47Å; L349-V360 HydrophobicContact CD2-CG1 4.4Å; L349-F375 HydrophobicContact CB-CD2 4.34Å; L349-F375 HydrophobicContact CB-CE2 3.99Å; L349-F375 HydrophobicContact CB-CZ 4.29Å; L349-F375 HydrophobicContact CD2-CB 4.32Å; L349-F375 HydrophobicContact CD2-CD2 3.65Å; L349-F375 HydrophobicContact CD2-CE2 4.14Å; L349-F375 HydrophobicContact CD2-CG 4.09Å; L349-L377 HydrophobicContact CD2-CD2 4.07Å; L349-Y384 PolarHBondContact N-O 2.79Å; L349-Y384 PolarHBondContact O-N 2.99Å; L349-L402 HydrophobicContact CD1-CD2 4.09Å; L349-V417 HydrophobicContact CD1-CB 4.49Å; L349-V417 HydrophobicContact CD1-CG1 3.47Å; L349-V417 VanDerWaalsContact CD1-CG1 3.47Å; L349-V417 HydrophobicContact CD1-CG2 4.21Å; L349-V420 HydrophobicContact CD1-CB 4.1Å; L349-V420 HydrophobicContact CD1-CG2 4.21Å
350	E	98	Very high	94.1	Very high	58 Å²	58	32.5 Å²	32.5	27%	0.271	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	126	170.8	-169	-174.2	167.2	0	0	110.1	T382 V383 V417 K418 S419	E350-T382 CarbonylContact C-O 3.55Å; E350-T382 VanDerWaalsContact CA-O 3.32Å; E350-T382 WeakPolarHBondContact CA-O 3.42Å; E350-V383 HydrophobicContact CG-CG2 4.04Å; E350-V417 CarbonylContact O-C 3.49Å; E350-K418 HydrophobicContact CB-CB 4.33Å; E350-K418 HydrophobicContact CG-CB 4.18Å; E350-K418 HydrophobicContact CG-CD 3.92Å; E350-K418 PolarHBondContact O-N 2.04Å; E350-K418 WeakPolarHBondContact OE1-CD 3.5Å; E350-K418 IonicContact OE1-NZ 3.2Å; E350-K418 PolarHBondContact OE1-NZ 2.79Å; E350-S419 WeakPolarHBondContact CB-OG 3.32Å; E350-S419 PolarHBondContact N-O 2.84Å; E350-S419 PolarHBondContact O-N 2.88Å
351	V	96.6	Very high	94.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	154.2	177.9	-59	0	0	0	0	111	L349 L354 L377 T382 Y384 I415 H416 V417	L349-V351 HydrophobicContact CD2-CG1 4.19Å; L349-V351 HydrophobicContact CG-CG1 4.06Å; V351-L354 HydrophobicContact CG2-CG 4.49Å; V351-L377 HydrophobicContact CG1-CD1 4.01Å; V351-L377 HydrophobicContact CG2-CD1 4.47Å; V351-T382 PolarHBondContact N-O 2.97Å; V351-T382 WeakPolarHBondContact O-CB 3.32Å; V351-Y384 HydrophobicContact CG2-CE2 4.01Å; V351-I415 HydrophobicContact CB-CG2 4.44Å; V351-I415 HydrophobicContact CG1-CG2 4.16Å; V351-H416 WeakPolarHBondContact CA-O 3.22Å; V351-V417 HydrophobicContact CG1-CG2 4.12Å
352	S	95.4	Very high	94.2	Very high	31 Å²	31	31.9 Å²	31.9	22%	0.217	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-64.4	157.2	165.3	-81	0	0	0	0	111.3	L354 H416	S352-L354 PolarHBondContact O-N 3.4Å; S352-H416 PolarHBondContact N-O 2.9Å; S352-H416 PolarHBondContact OG-CD2 2.96Å
353	P	94.5	Very high	94.3	Very high	97 Å²	97	31.9 Å²	31.9	63%	0.63	17%	0.173	S	C	*	.	P	Polyproline II helix	trans	-49.4	134.3	174.8	-27.5	35.6	0	0	0	111.7	T382	P353-T382 HydrophobicContact CG-CG2 4.37Å
354	L	90.6	Very high	94.4	Very high	13 Å²	13	29.4 Å²	29.4	7%	0.068	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-101.8	140	-178.1	-58	177.2	0	0	0	109.9	V351 S352 K356 A358 L377 T379 Q412 I415	V351-L354 HydrophobicContact CG2-CG 4.49Å; S352-L354 PolarHBondContact O-N 3.4Å; L354-K356 VanDerWaalsContact C-N 3.34Å; L354-K356 WeakPolarHBondContact CB-O 3.3Å; L354-A358 HydrophobicContact CD1-CB 4.25Å; L354-L377 HydrophobicContact CD1-CB 3.51Å; L354-L377 HydrophobicContact CD1-CD1 4.06Å; L354-L377 HydrophobicContact CD1-CG 4.45Å; L354-T379 WeakPolarHBondContact O-CG2 3.33Å; L354-Q412 HydrophobicContact CD2-CG 4.31Å; L354-I415 HydrophobicContact CD2-CG2 4.16Å
355	D	88.3	Confident	94.2	Very high	146 Å²	146	30.1 Å²	30.1	78%	0.781	17%	0.166	S	C	*	.	S	Bend	trans	-77.3	-28.4	170.3	-62.5	-39.2	0	0	0	111
356	K	88.1	Confident	93.9	Very high	106 Å²	106	30.9 Å²	30.9	46%	0.461	17%	0.171	S	C	.	.	S	Bend	trans	-141.3	152.4	-179.2	-63.1	-179	-175.2	174.2	0	110.8	L354 Q412	L354-K356 VanDerWaalsContact C-N 3.34Å; L354-K356 WeakPolarHBondContact CB-O 3.3Å; K356-Q412 VanDerWaalsContact N-OE1 3.14Å
357	S	89.3	Confident	93.1	Very high	45 Å²	45	41.4 Å²	41.4	32%	0.315	21%	0.211	S	C	.	.			trans	-53.5	147.5	171.5	66.3	0	0	0	0	111.7	L377 R411	S357-L377 VanDerWaalsContact CA-O 3.26Å; S357-L377 WeakPolarHBondContact CA-O 3.29Å; S357-L377 WeakPolarHBondContact CB-O 3.42Å; S357-R411 WeakPolarHBondContact O-CB 3.33Å; S357-R411 WeakPolarHBondContact O-CD 3.33Å; S357-R411 WeakPolarHBondContact O-CG 3.3Å
358	A	89.7	Confident	92.3	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.017	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	170.7	-179.3	0	0	0	0	0	111.3	L354 L377 Q412 I415	L354-A358 HydrophobicContact CD1-CB 4.25Å; A358-L377 HydrophobicContact CB-CB 4.19Å; A358-L377 HydrophobicContact CB-CD1 4.24Å; A358-L377 PolarHBondContact N-O 2.91Å; A358-L377 PolarHBondContact O-N 2.85Å; A358-Q412 HydrophobicContact CB-CB 4.23Å; A358-I415 HydrophobicContact CB-CD1 3.54Å; A358-I415 HydrophobicContact CB-CG1 4.21Å
359	E	91.4	Very high	91.8	Very high	33 Å²	33	47.5 Å²	47.5	15%	0.154	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	123.9	175.6	-169.3	160.1	-169.3	0	0	109.2	F375 N404 T405 R411	E359-F375 VanDerWaalsContact CA-O 3.28Å; E359-F375 WeakPolarHBondContact CA-O 3.48Å; E359-N404 PolarHBondContact O-OD1 3.48Å; E359-T405 PolarHBondContact O-N 3.41Å; E359-T405 PolarHBondContact O-OG1 3.46Å; E359-R411 IonicContact OE2-NH1 3.85Å; E359-R411 PolarHBondContact OE2-NH1 3.38Å
360	V	93.1	Very high	91.4	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.4	-177	177.2	0	0	0	0	108	L349 V362 H374 F375 L377 L402 R403 I415 I441	L349-V360 HydrophobicContact CD2-CB 4.47Å; L349-V360 HydrophobicContact CD2-CG1 4.4Å; V360-V362 HydrophobicContact CG1-CG2 4.21Å; V360-H374 WeakPolarHBondContact O-CA 3.25Å; V360-F375 PolarHBondContact N-O 3.11Å; V360-F375 PolarHBondContact O-N 3.47Å; V360-L377 HydrophobicContact CB-CD1 4.41Å; V360-L377 HydrophobicContact CG2-CD1 3.55Å; V360-L377 HydrophobicContact CG2-CG 4.28Å; V360-L402 HydrophobicContact CG1-CG 4.5Å; V360-R403 WeakPolarHBondContact CA-O 3.47Å; V360-I415 HydrophobicContact CG2-CD1 3.61Å; V360-I441 HydrophobicContact CB-CD1 4.45Å; V360-I441 HydrophobicContact CG1-CD1 3.84Å; V360-I441 HydrophobicContact CG2-CD1 3.71Å
361	E	94.8	Very high	91.2	Very high	20 Å²	20	48.4 Å²	48.4	9%	0.093	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	129.8	169.2	-179	-173	117.8	0	0	108.4	E372 H373 H374 L402 R403 T405	E361-E372 VanDerWaalsContact CD-OE1 3.3Å; E361-E372 HydrophobicContact CG-CG 3.72Å; E361-E372 WeakPolarHBondContact CG-OE1 3.42Å; E361-H373 CarbonylContact C-O 3.53Å; E361-H373 WeakPolarHBondContact CA-O 3.44Å; E361-H374 IonicContact OE2-CE1 3.12Å; E361-H374 PolarHBondContact OE2-CE1 3.47Å; E361-L402 CarbonylContact O-C 3.58Å; E361-L402 WeakPolarHBondContact O-CA 3.49Å; E361-R403 HydrophobicContact CB-CB 4.33Å; E361-R403 PolarHBondContact N-O 3.35Å; E361-R403 PolarHBondContact O-N 2.87Å; E361-T405 HydrophobicContact CB-CG2 3.6Å; E361-T405 VanDerWaalsContact OE2-CG2 3.3Å; E361-T405 WeakPolarHBondContact OE2-CG2 3.4Å
362	V	96.4	Very high	91.1	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	126.7	172.6	-173.7	0	0	0	0	107.8	L347 V360 E372 H373 F375 I400 R401 L402	L347-V362 HydrophobicContact CD1-CG1 4.19Å; L347-V362 HydrophobicContact CD2-CB 3.9Å; L347-V362 HydrophobicContact CD2-CG1 3.77Å; L347-V362 HydrophobicContact CD2-CG2 4.23Å; V360-V362 HydrophobicContact CG1-CG2 4.21Å; V362-E372 CarbonylContact O-C 3.58Å; V362-E372 WeakPolarHBondContact O-CA 3.18Å; V362-H373 PolarHBondContact N-O 3.43Å; V362-H373 PolarHBondContact O-N 3.06Å; V362-F375 HydrophobicContact CG2-CD2 3.82Å; V362-F375 HydrophobicContact CG2-CE2 3.83Å; V362-I400 HydrophobicContact CG1-CD1 3.77Å; V362-I400 HydrophobicContact CG1-CG1 3.83Å; V362-R401 CarbonylContact C-O 3.53Å; V362-R401 VanDerWaalsContact CA-O 3.3Å; V362-R401 WeakPolarHBondContact CA-O 3.47Å; V362-L402 HydrophobicContact CG1-CD1 4.27Å; V362-L402 HydrophobicContact CG2-CG 4.24Å
363	T	96.2	Very high	91.1	Very high	15 Å²	15	54 Å²	54	9%	0.092	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.1	176	-37.7	0	0	0	0	109	T365 T371 E372 I400 R401	T363-T365 HydrophobicContact CG2-CG2 3.74Å; T363-T371 CarbonylContact C-O 3.58Å; T363-T371 WeakPolarHBondContact CA-O 3.38Å; T363-E372 HydrophobicContact CG2-CB 4.47Å; T363-I400 CarbonylContact O-C 3.48Å; T363-I400 WeakPolarHBondContact O-CA 3.33Å; T363-R401 PolarHBondContact N-O 3.34Å; T363-R401 PolarHBondContact O-N 3.36Å
364	L	96	Very high	91.1	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	126.3	165.2	-58.2	178.4	0	0	0	107.3	I345 G370 T371 L388 I397 I400 V422	I345-L364 HydrophobicContact CB-CD1 4.3Å; I345-L364 HydrophobicContact CG2-CD1 3.81Å; L364-G370 CarbonylContact O-C 3.55Å; L364-G370 WeakPolarHBondContact O-CA 3.33Å; L364-T371 PolarHBondContact N-O 3.07Å; L364-T371 PolarHBondContact O-N 3.49Å; L364-L388 HydrophobicContact CD1-CD1 4.33Å; L364-I397 HydrophobicContact CB-CD1 4.47Å; L364-I397 HydrophobicContact CB-CG2 4.11Å; L364-I397 HydrophobicContact CD1-CD1 4.2Å; L364-I400 HydrophobicContact CD2-CB 4.08Å; L364-I400 HydrophobicContact CD2-CD1 3.87Å; L364-I400 HydrophobicContact CD2-CG1 3.84Å; L364-V422 HydrophobicContact CD2-CG1 4.09Å
365	T	93.2	Very high	91.3	Very high	27 Å²	27	53.1 Å²	53.1	17%	0.166	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	143.7	-175.1	41	0	0	0	0	112.4	T363 D398 S399	T363-T365 HydrophobicContact CG2-CG2 3.74Å; T365-D398 PolarHBondContact O-N 3.01Å; T365-S399 PolarHBondContact N-O 2.8Å; T365-S399 PolarHBondContact O-N 2.84Å; T365-S399 VanDerWaalsContact O-N 3.12Å; T365-S399 PolarHBondContact OG1-O 2.99Å; T365-S399 PolarHBondContact OG1-OG 2.94Å
366	T	90.8	Very high	91.5	Very high	17 Å²	17	55 Å²	55	10%	0.104	27%	0.269	C	S	.	.			trans	-115.9	174.9	164.8	64.2	0	0	0	0	108.5	S368 Q369 V392 D398	T366-S368 PolarHBondContact O-N 3.14Å; T366-S368 VanDerWaalsContact O-N 3.1Å; T366-S368 PolarHBondContact OG1-N 2.88Å; T366-Q369 PolarHBondContact N-O 2.83Å; T366-Q369 WeakPolarHBondContact OG1-CA 3.31Å; T366-Q369 PolarHBondContact OG1-N 3.41Å; T366-Q369 PolarHBondContact OG1-O 2.98Å; T366-V392 HydrophobicContact CG2-CG2 3.57Å; T366-D398 WeakPolarHBondContact CA-OD2 3.31Å
367	W	80.8	Confident	91.8	Very high	228 Å²	228	50 Å²	50	86%	0.864	25%	0.248	S	C	*	.	S	Bend	trans	-57.7	-22.4	174.4	67.8	-87.8	0	0	0	114.4	D398	W367-D398 PolarHBondContact N-OD2 2.86Å
368	S	80.9	Confident	91.9	Very high	64 Å²	64	53.2 Å²	53.2	45%	0.448	26%	0.256	S	S	.	.	S	Bend	trans	-122.8	-22.3	-175.2	57	0	0	0	0	115.2	T366	T366-S368 PolarHBondContact O-N 3.14Å; T366-S368 VanDerWaalsContact O-N 3.1Å; T366-S368 PolarHBondContact OG1-N 2.88Å
369	Q	85.6	Confident	91.9	Very high	94 Å²	94	56.6 Å²	56.6	44%	0.439	28%	0.277	S	S	.	.			trans	-142.8	153.9	-168.8	-60.6	177.3	22.6	0	0	110.8	T366	T366-Q369 PolarHBondContact N-O 2.83Å; T366-Q369 WeakPolarHBondContact OG1-CA 3.31Å; T366-Q369 PolarHBondContact OG1-N 3.41Å; T366-Q369 PolarHBondContact OG1-O 2.98Å
370	G	89.3	Confident	92	Very high	51 Å²	51	61.8 Å²	61.8	53%	0.526	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143.6	171.5	0	0	0	0	0	111.9	L364	L364-G370 CarbonylContact O-C 3.55Å; L364-G370 WeakPolarHBondContact O-CA 3.33Å
371	T	93.8	Very high	92	Very high	26 Å²	26	63.6 Å²	63.6	16%	0.16	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.6	170.5	-63.3	0	0	0	0	108.9	T363 L364 L388 A389 H390	T363-T371 CarbonylContact C-O 3.58Å; T363-T371 WeakPolarHBondContact CA-O 3.38Å; L364-T371 PolarHBondContact N-O 3.07Å; L364-T371 PolarHBondContact O-N 3.49Å; T371-L388 HydrophobicContact CG2-CB 4.34Å; T371-L388 HydrophobicContact CG2-CD1 4.45Å; T371-A389 WeakPolarHBondContact CG2-O 3.32Å; T371-A389 PolarHBondContact OG1-O 2.92Å; T371-H390 PolarHBondContact OG1-CD2 2.85Å
372	E	94.9	Very high	92.1	Very high	100 Å²	100	65 Å²	65	47%	0.467	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	143.7	-178	-172.9	-178.9	148.4	0	0	111.2	E361 V362 T363 H374	E361-E372 VanDerWaalsContact CD-OE1 3.3Å; E361-E372 HydrophobicContact CG-CG 3.72Å; E361-E372 WeakPolarHBondContact CG-OE1 3.42Å; V362-E372 CarbonylContact O-C 3.58Å; V362-E372 WeakPolarHBondContact O-CA 3.18Å; T363-E372 HydrophobicContact CG2-CB 4.47Å; E372-H374 IonicContact OE1-CE1 2.88Å; E372-H374 PolarHBondContact OE1-CE1 3.44Å; E372-H374 IonicContact OE1-NE2 2.72Å; E372-H374 PolarHBondContact OE1-NE2 2.9Å
373	H	96	Very high	92.1	Very high	48 Å²	48	68.6 Å²	68.6	22%	0.222	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	142	172.2	-173.9	79	0	0	0	111.6	E361 V362 F375 L388	E361-H373 CarbonylContact C-O 3.53Å; E361-H373 WeakPolarHBondContact CA-O 3.44Å; V362-H373 PolarHBondContact N-O 3.43Å; V362-H373 PolarHBondContact O-N 3.06Å; H373-F375 AromaticContact CD2-CD1 3.97Å; H373-F375 AromaticContact CD2-CD2 3.98Å; H373-F375 AromaticContact CD2-CE1 3.88Å; H373-F375 AromaticContact CD2-CE2 3.92Å; H373-F375 AromaticContact CD2-CZ 3.87Å; H373-F375 AromaticContact NE2-CD1 3.83Å; H373-F375 AromaticContact NE2-CE1 3.8Å; H373-L388 HydrophobicContact CB-CD1 3.98Å; H373-L388 HydrophobicContact CB-CD2 3.81Å
374	H	94.9	Very high	92.2	Very high	82 Å²	82	69.3 Å²	69.3	38%	0.38	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	115.1	175.3	-60.5	-78	0	0	0	111.7	V360 E361 E372	V360-H374 WeakPolarHBondContact O-CA 3.25Å; E361-H374 IonicContact OE2-CE1 3.12Å; E361-H374 PolarHBondContact OE2-CE1 3.47Å; E372-H374 IonicContact OE1-CE1 2.88Å; E372-H374 PolarHBondContact OE1-CE1 3.44Å; E372-H374 IonicContact OE1-NE2 2.72Å; E372-H374 PolarHBondContact OE1-NE2 2.9Å
375	F	94.1	Very high	92.3	Very high	9 Å²	9	74.1 Å²	74.1	4%	0.039	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	126.7	168	-70.5	-71	0	0	0	111.1	L347 L349 E359 V360 V362 H373 L377 Y384 T386	L347-F375 HydrophobicContact CD2-CE2 3.52Å; L347-F375 HydrophobicContact CD2-CZ 3.77Å; L347-F375 HydrophobicContact CG-CE2 3.98Å; L347-F375 HydrophobicContact CG-CZ 3.95Å; L349-F375 HydrophobicContact CB-CD2 4.34Å; L349-F375 HydrophobicContact CB-CE2 3.99Å; L349-F375 HydrophobicContact CB-CZ 4.29Å; L349-F375 HydrophobicContact CD2-CB 4.32Å; L349-F375 HydrophobicContact CD2-CD2 3.65Å; L349-F375 HydrophobicContact CD2-CE2 4.14Å; L349-F375 HydrophobicContact CD2-CG 4.09Å; E359-F375 VanDerWaalsContact CA-O 3.28Å; E359-F375 WeakPolarHBondContact CA-O 3.48Å; V360-F375 PolarHBondContact N-O 3.11Å; V360-F375 PolarHBondContact O-N 3.47Å; V362-F375 HydrophobicContact CG2-CD2 3.82Å; V362-F375 HydrophobicContact CG2-CE2 3.83Å; H373-F375 AromaticContact CD2-CD1 3.97Å; H373-F375 AromaticContact CD2-CD2 3.98Å; H373-F375 AromaticContact CD2-CE1 3.88Å; H373-F375 AromaticContact CD2-CE2 3.92Å; H373-F375 AromaticContact CD2-CZ 3.87Å; H373-F375 AromaticContact NE2-CD1 3.83Å; H373-F375 AromaticContact NE2-CE1 3.8Å; F375-L377 HydrophobicContact CB-CD2 3.71Å; F375-Y384 HydrophobicContact CD1-CG 4.36Å; F375-T386 HydrophobicContact CE1-CG2 3.89Å; F375-T386 HydrophobicContact CZ-CG2 3.66Å
376	R	93.1	Very high	92.5	Very high	186 Å²	186	73.6 Å²	73.6	70%	0.702	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	97.8	168.2	-67.1	-179	-179.7	164.8	3.4	109.2
377	L	92.6	Very high	92.8	Very high	1 Å²	1	73 Å²	73	1%	0.005	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	137.9	-177.1	-47.2	-176.4	0	0	0	111.3	L349 V351 L354 S357 A358 V360 F375 Y384 I415	L349-L377 HydrophobicContact CD2-CD2 4.07Å; V351-L377 HydrophobicContact CG1-CD1 4.01Å; V351-L377 HydrophobicContact CG2-CD1 4.47Å; L354-L377 HydrophobicContact CD1-CB 3.51Å; L354-L377 HydrophobicContact CD1-CD1 4.06Å; L354-L377 HydrophobicContact CD1-CG 4.45Å; S357-L377 VanDerWaalsContact CA-O 3.26Å; S357-L377 WeakPolarHBondContact CA-O 3.29Å; S357-L377 WeakPolarHBondContact CB-O 3.42Å; A358-L377 HydrophobicContact CB-CB 4.19Å; A358-L377 HydrophobicContact CB-CD1 4.24Å; A358-L377 PolarHBondContact N-O 2.91Å; A358-L377 PolarHBondContact O-N 2.85Å; V360-L377 HydrophobicContact CB-CD1 4.41Å; V360-L377 HydrophobicContact CG2-CD1 3.55Å; V360-L377 HydrophobicContact CG2-CG 4.28Å; F375-L377 HydrophobicContact CB-CD2 3.71Å; L377-Y384 HydrophobicContact CB-CE2 4.48Å; L377-Y384 HydrophobicContact CD2-CD1 4.05Å; L377-Y384 HydrophobicContact CD2-CD2 3.6Å; L377-Y384 HydrophobicContact CD2-CE1 3.95Å; L377-Y384 HydrophobicContact CD2-CE2 3.54Å; L377-Y384 HydrophobicContact CD2-CG 3.89Å; L377-I415 HydrophobicContact CD1-CD1 4.37Å; L377-I415 HydrophobicContact CD1-CG2 4.36Å
378	K	91.5	Very high	93.6	Very high	112 Å²	112	62.8 Å²	62.8	49%	0.487	32%	0.322	S	S	.	.			trans	-116.1	158.4	-177.7	-65.5	-73	-173.4	163.2	0	110	E380 Y384	K378-E380 VanDerWaalsContact C-N 3.31Å; K378-E380 HydrophobicContact CB-CG 4.35Å; K378-E380 WeakPolarHBondContact CB-OE1 3Å; K378-Y384 PolarHBondContact N-OH 2.85Å; K378-Y384 PolarHBondContact O-OH 3.28Å; K378-Y384 VanDerWaalsContact O-OH 3.14Å
379	T	90.9	Very high	94.2	Very high	73 Å²	73	61.2 Å²	61.2	45%	0.448	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-26.1	-178	43.4	0	0	0	0	112.9	L354	L354-T379 WeakPolarHBondContact O-CG2 3.33Å
380	E	92.3	Very high	94.6	Very high	143 Å²	143	56.7 Å²	56.7	67%	0.668	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-4.5	-174.2	61.7	-85.2	-166.3	0	0	114.1	K378	K378-E380 VanDerWaalsContact C-N 3.31Å; K378-E380 HydrophobicContact CB-CG 4.35Å; K378-E380 WeakPolarHBondContact CB-OE1 3Å
381	A	94.4	Very high	94.7	Very high	38 Å²	38	56.4 Å²	56.4	31%	0.314	28%	0.28	S	S	.	.			trans	-134.5	135.8	-176.9	0	0	0	0	0	111.5	Y384	A381-Y384 HydrophobicContact CB-CE1 4.43Å; A381-Y384 WeakPolarHBondContact O-CE2 3.49Å; A381-Y384 PolarHBondContact O-OH 2.93Å
382	T	96.4	Very high	94.6	Very high	50 Å²	50	56.7 Å²	56.7	31%	0.307	28%	0.282	S	S	.	.			trans	-111.7	-16	-179	51.6	0	0	0	0	113.3	E350 V351 P353	E350-T382 CarbonylContact C-O 3.55Å; E350-T382 VanDerWaalsContact CA-O 3.32Å; E350-T382 WeakPolarHBondContact CA-O 3.42Å; V351-T382 PolarHBondContact N-O 2.97Å; V351-T382 WeakPolarHBondContact O-CB 3.32Å; P353-T382 HydrophobicContact CG-CG2 4.37Å
383	V	97.3	Very high	94.5	Very high	75 Å²	75	52.5 Å²	52.5	46%	0.455	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	128.4	-178.9	-178	0	0	0	0	109.5	T348 E350 R385	T348-V383 HydrophobicContact CG2-CG1 4.28Å; E350-V383 HydrophobicContact CG-CG2 4.04Å; V383-R385 HydrophobicContact CG1-CG 4.34Å
384	Y	97.4	Very high	94.3	Very high	30 Å²	30	51 Å²	51	12%	0.118	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	137.1	179.2	-59.3	-96.9	0	0	0	108.8	T348 L349 V351 F375 L377 K378 A381	T348-Y384 CarbonylContact C-O 3.57Å; T348-Y384 WeakPolarHBondContact CA-O 3.35Å; L349-Y384 PolarHBondContact N-O 2.79Å; L349-Y384 PolarHBondContact O-N 2.99Å; V351-Y384 HydrophobicContact CG2-CE2 4.01Å; F375-Y384 HydrophobicContact CD1-CG 4.36Å; L377-Y384 HydrophobicContact CB-CE2 4.48Å; L377-Y384 HydrophobicContact CD2-CD1 4.05Å; L377-Y384 HydrophobicContact CD2-CD2 3.6Å; L377-Y384 HydrophobicContact CD2-CE1 3.95Å; L377-Y384 HydrophobicContact CD2-CE2 3.54Å; L377-Y384 HydrophobicContact CD2-CG 3.89Å; K378-Y384 PolarHBondContact N-OH 2.85Å; K378-Y384 PolarHBondContact O-OH 3.28Å; K378-Y384 VanDerWaalsContact O-OH 3.14Å; A381-Y384 HydrophobicContact CB-CE1 4.43Å; A381-Y384 WeakPolarHBondContact O-CE2 3.49Å; A381-Y384 PolarHBondContact O-OH 2.93Å
385	R	97.4	Very high	94.1	Very high	103 Å²	103	49.1 Å²	49.1	39%	0.389	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	139.6	-178.6	-63.5	177.7	74.8	-166.6	-5.6	109.2	K295 G296 L347 T348 V383	K295-R385 WeakPolarHBondContact O-CB 3.32Å; G296-R385 VanDerWaalsContact O-CZ 3.31Å; G296-R385 PolarHBondContact O-NH2 2.96Å; L347-R385 CarbonylContact O-C 3.56Å; L347-R385 WeakPolarHBondContact O-CA 3.47Å; T348-R385 HydrophobicContact CG2-CG 3.94Å; V383-R385 HydrophobicContact CG1-CG 4.34Å
386	T	97.8	Very high	94	Very high	16 Å²	16	53.5 Å²	53.5	10%	0.098	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	146.5	171.9	-166.3	0	0	0	0	111.5	L294 L347 F375 L388	L294-T386 CarbonylContact O-C 3.55Å; L294-T386 WeakPolarHBondContact O-CA 3.5Å; L347-T386 HydrophobicContact CB-CG2 4.05Å; L347-T386 HydrophobicContact CD2-CG2 4.25Å; L347-T386 PolarHBondContact N-O 3.1Å; L347-T386 PolarHBondContact O-N 2.88Å; F375-T386 HydrophobicContact CE1-CG2 3.89Å; F375-T386 HydrophobicContact CZ-CG2 3.66Å; T386-L388 HydrophobicContact CG2-CD1 4.48Å; T386-L388 HydrophobicContact CG2-CD2 3.74Å; T386-L388 HydrophobicContact CG2-CG 3.99Å
387	V	98	Very high	94	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.5	169.2	179.5	0	0	0	0	108.8	F293 L294 L333 H344 I345 L346 L425	F293-V387 HydrophobicContact CE2-CG1 4.44Å; F293-V387 HydrophobicContact CZ-CG1 4.11Å; F293-V387 WeakPolarHBondContact O-CG2 3.38Å; L294-V387 PolarHBondContact O-N 3.23Å; L333-V387 HydrophobicContact CD1-CG1 4.26Å; H344-V387 HydrophobicContact CB-CG1 3.97Å; I345-V387 WeakPolarHBondContact O-CA 3.39Å; L346-V387 HydrophobicContact CD1-CG2 4.12Å; V387-L425 HydrophobicContact CG1-CD1 4.08Å; V387-L425 HydrophobicContact CG2-CD1 3.68Å
388	L	96	Very high	94	Very high	15 Å²	15	48.2 Å²	48.2	8%	0.079	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	147.5	-179.3	-55.4	178.7	0	0	0	110.6	H344 I345 L347 L364 T371 H373 T386	H344-L388 CarbonylContact C-O 3.55Å; H344-L388 WeakPolarHBondContact CA-O 3.13Å; I345-L388 PolarHBondContact N-O 2.93Å; I345-L388 PolarHBondContact O-N 2.83Å; L347-L388 HydrophobicContact CB-CD1 4.29Å; L347-L388 HydrophobicContact CD2-CD1 3.92Å; L364-L388 HydrophobicContact CD1-CD1 4.33Å; T371-L388 HydrophobicContact CG2-CB 4.34Å; T371-L388 HydrophobicContact CG2-CD1 4.45Å; H373-L388 HydrophobicContact CB-CD1 3.98Å; H373-L388 HydrophobicContact CB-CD2 3.81Å; T386-L388 HydrophobicContact CG2-CD1 4.48Å; T386-L388 HydrophobicContact CG2-CD2 3.74Å; T386-L388 HydrophobicContact CG2-CG 3.99Å
389	A	95.2	Very high	94.1	Very high	30 Å²	30	43.7 Å²	43.7	25%	0.248	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.2	164.1	0	0	0	0	0	109.6	L333 A342 T371	L333-A389 HydrophobicContact CB-CB 3.71Å; L333-A389 HydrophobicContact CD1-CB 3.95Å; L333-A389 HydrophobicContact CG-CB 4.48Å; A342-A389 HydrophobicContact CB-CB 3.77Å; T371-A389 WeakPolarHBondContact CG2-O 3.32Å; T371-A389 PolarHBondContact OG1-O 2.92Å
390	H	94.1	Very high	94.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	136.1	171.1	-160.6	-89.9	0	0	0	110.2	A342 H343 I345 T371 V392 I397	A342-H390 WeakPolarHBondContact CA-O 3.12Å; H343-H390 PolarHBondContact N-O 3.43Å; H343-H390 PolarHBondContact O-N 3Å; I345-H390 HydrophobicContact CD1-CB 4.5Å; I345-H390 HydrophobicContact CG1-CB 3.63Å; T371-H390 PolarHBondContact OG1-CD2 2.85Å; H390-V392 WeakPolarHBondContact CE1-CG2 3.16Å; H390-V392 VanDerWaalsContact ND1-CG2 3.31Å; H390-V392 WeakPolarHBondContact ND1-CG2 3.33Å; H390-V392 PolarHBondContact ND1-N 2.81Å; H390-V392 PolarHBondContact ND1-O 2.9Å; H390-V392 PolarHBondContact O-N 2.8Å; H390-I397 HydrophobicContact CB-CD1 4.46Å
391	P	91.1	Very high	94.5	Very high	44 Å²	44	38.9 Å²	38.9	29%	0.286	21%	0.21	S	C	.	.	S	Bend	trans	-68.5	-17.5	-175.9	-26.7	39.3	0	0	0	115	T335	T335-P391 HydrophobicContact CG2-CB 4.45Å; T335-P391 HydrophobicContact CG2-CG 4.13Å
392	V	91.3	Very high	94.6	Very high	32 Å²	32	37.1 Å²	37.1	19%	0.194	20%	0.196	C	C	.	.	S	Bend	trans	-125.4	157.7	177.4	-59.7	0	0	0	0	111.2	T366 H390 Q396 I397	T366-V392 HydrophobicContact CG2-CG2 3.57Å; H390-V392 WeakPolarHBondContact CE1-CG2 3.16Å; H390-V392 VanDerWaalsContact ND1-CG2 3.31Å; H390-V392 WeakPolarHBondContact ND1-CG2 3.33Å; H390-V392 PolarHBondContact ND1-N 2.81Å; H390-V392 PolarHBondContact ND1-O 2.9Å; H390-V392 PolarHBondContact O-N 2.8Å; V392-Q396 HydrophobicContact CB-CB 3.99Å; V392-Q396 HydrophobicContact CG2-CB 3.87Å; V392-I397 HydrophobicContact CG2-CG1 4.38Å
393	A	92.2	Very high	94.4	Very high	13 Å²	13	39.8 Å²	39.8	11%	0.107	20%	0.2	C	C	.	.			trans	-59.6	156.7	177.6	0	0	0	0	0	111.7	H343 C395 Q396	H343-A393 PolarHBondContact CD2-N 2.96Å; H343-A393 VanDerWaalsContact CD2-N 3.28Å; H343-A393 WeakPolarHBondContact ND1-CA 3.05Å; H343-A393 PolarHBondContact NE2-N 3.27Å; A393-C395 PolarHBondContact O-N 3.28Å; A393-Q396 WeakPolarHBondContact O-CB 3.33Å; A393-Q396 PolarHBondContact O-N 3.19Å
394	L	92.6	Very high	94.1	Very high	15 Å²	15	36.2 Å²	36.2	8%	0.079	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-54	-43.5	179.8	178.1	57	0	0	0	111.2	I345 Q396 I397 V422 E424 L434 Q453	I345-L394 HydrophobicContact CD1-CB 3.93Å; I345-L394 HydrophobicContact CD1-CD1 4.5Å; L394-Q396 PolarHBondContact O-N 3.2Å; L394-I397 HydrophobicContact CD1-CD1 4.05Å; L394-I397 WeakPolarHBondContact O-CB 3.36Å; L394-I397 PolarHBondContact O-N 3.24Å; L394-V422 HydrophobicContact CD1-CB 4.14Å; L394-V422 HydrophobicContact CD1-CG2 3.69Å; L394-E424 HydrophobicContact CB-CB 3.97Å; L394-E424 WeakPolarHBondContact CB-OE2 3.46Å; L394-E424 HydrophobicContact CD2-CB 4.39Å; L394-E424 PolarHBondContact N-OE2 3.37Å; L394-L434 HydrophobicContact CD1-CD1 3.95Å; L394-L434 HydrophobicContact CD2-CD1 4.12Å; L394-L434 HydrophobicContact CD2-CG 4.35Å; L394-L434 HydrophobicContact CG-CD1 4Å; L394-Q453 PolarHBondContact O-OE1 3.37Å
395	C	90.3	Very high	93.5	Very high	43 Å²	43	36.8 Å²	36.8	29%	0.291	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-61.4	-12.2	-179.8	69.9	0	0	0	0	115	A393 Q453 C455	A393-C395 PolarHBondContact O-N 3.28Å; C395-Q453 VanDerWaalsContact CA-OE1 3.25Å; C395-Q453 WeakPolarHBondContact O-CB 3.47Å; C395-C455 HydrophobicContact CB-CB 4.05Å; C395-C455 WeakPolarHBondContact CB-SG 3.45Å; C395-C455 PolarHBondContact O-SG 2.81Å; C395-C455 VanDerWaalsContact SG-CA 3.59Å; C395-C455 WeakPolarHBondContact SG-CB 3.11Å; C395-C455 CovalentContact SG-SG 2.04Å; C395-C455 PolarHBondContact SG-SG 3.49Å
396	Q	91.8	Very high	92.2	Very high	102 Å²	102	32.1 Å²	32.1	48%	0.477	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-104.1	0.6	177.9	-57.3	-176.9	-66.9	0	0	112.7	V392 A393 L394 C455	V392-Q396 HydrophobicContact CB-CB 3.99Å; V392-Q396 HydrophobicContact CG2-CB 3.87Å; A393-Q396 WeakPolarHBondContact O-CB 3.33Å; A393-Q396 PolarHBondContact O-N 3.19Å; L394-Q396 PolarHBondContact O-N 3.2Å; Q396-C455 WeakPolarHBondContact CG-SG 3.44Å
397	I	93.3	Very high	90.4	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.015	18%	0.179	C	C	.	.			trans	-82.5	120.8	177.7	-58.2	-176.3	0	0	0	108.2	I345 L364 H390 V392 L394 F451	I345-I397 HydrophobicContact CD1-CD1 4.29Å; I345-I397 HydrophobicContact CG1-CD1 4.21Å; L364-I397 HydrophobicContact CB-CD1 4.47Å; L364-I397 HydrophobicContact CB-CG2 4.11Å; L364-I397 HydrophobicContact CD1-CD1 4.2Å; H390-I397 HydrophobicContact CB-CD1 4.46Å; V392-I397 HydrophobicContact CG2-CG1 4.38Å; L394-I397 HydrophobicContact CD1-CD1 4.05Å; L394-I397 WeakPolarHBondContact O-CB 3.36Å; L394-I397 PolarHBondContact O-N 3.24Å; I397-F451 HydrophobicContact CG2-CD2 4.14Å; I397-F451 HydrophobicContact CG2-CE2 4.14Å
398	D	92.9	Very high	88.5	Confident	72 Å²	72	44.2 Å²	44.2	39%	0.385	22%	0.22	S	C	.	.			trans	-78.4	-37.6	-172.7	-64	-47.6	0	0	0	112	T365 T366 W367 D450 F451	T365-D398 PolarHBondContact O-N 3.01Å; T366-D398 WeakPolarHBondContact CA-OD2 3.31Å; W367-D398 PolarHBondContact N-OD2 2.86Å; D398-D450 CarbonylContact O-C 3.57Å; D398-D450 WeakPolarHBondContact O-CA 3.45Å; D398-F451 PolarHBondContact O-N 3.19Å
399	S	94.2	Very high	86.6	Confident	18 Å²	18	50.3 Å²	50.3	13%	0.126	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	162.2	-175.2	56.5	0	0	0	0	114.4	T365 H449 D450	T365-S399 PolarHBondContact N-O 2.8Å; T365-S399 PolarHBondContact O-N 2.84Å; T365-S399 VanDerWaalsContact O-N 3.12Å; T365-S399 PolarHBondContact OG1-O 2.99Å; T365-S399 PolarHBondContact OG1-OG 2.94Å; S399-H449 CarbonylContact C-O 3.58Å; S399-H449 VanDerWaalsContact CA-O 3.24Å; S399-H449 WeakPolarHBondContact CA-O 3.13Å; S399-H449 WeakPolarHBondContact CB-O 3.21Å; S399-D450 WeakPolarHBondContact CB-OD1 3.34Å
400	I	96.1	Very high	84.9	Confident	2 Å²	2	58 Å²	58	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	136	171.2	-173.6	167.9	0	0	0	109.9	L347 V362 T363 L364 L402 V420 V422 W447 S448 H449 F451	L347-I400 HydrophobicContact CD1-CD1 4.21Å; V362-I400 HydrophobicContact CG1-CD1 3.77Å; V362-I400 HydrophobicContact CG1-CG1 3.83Å; T363-I400 CarbonylContact O-C 3.48Å; T363-I400 WeakPolarHBondContact O-CA 3.33Å; L364-I400 HydrophobicContact CD2-CB 4.08Å; L364-I400 HydrophobicContact CD2-CD1 3.87Å; L364-I400 HydrophobicContact CD2-CG1 3.84Å; I400-L402 HydrophobicContact CD1-CD1 4.07Å; I400-L402 HydrophobicContact CG1-CD1 3.82Å; I400-V420 HydrophobicContact CD1-CG1 4.24Å; I400-V420 HydrophobicContact CD1-CG2 3.6Å; I400-V422 HydrophobicContact CD1-CG1 4.37Å; I400-W447 HydrophobicContact CG2-CZ3 4.33Å; I400-S448 CarbonylContact O-C 3.59Å; I400-S448 VanDerWaalsContact O-CA 3.26Å; I400-S448 WeakPolarHBondContact O-CA 3.36Å; I400-H449 HydrophobicContact CG2-CB 4.13Å; I400-H449 PolarHBondContact N-O 2.74Å; I400-H449 PolarHBondContact O-N 3.38Å; I400-F451 HydrophobicContact CB-CE2 3.8Å; I400-F451 HydrophobicContact CB-CZ 3.64Å; I400-F451 HydrophobicContact CG2-CE1 4Å; I400-F451 HydrophobicContact CG2-CE2 4.02Å; I400-F451 HydrophobicContact CG2-CZ 3.47Å; I400-F451 VanDerWaalsContact CG2-CZ 3.47Å
401	R	95.5	Very high	83.5	Confident	113 Å²	113	62.1 Å²	62.1	43%	0.426	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	134.5	175.9	-175.6	-174.7	-64.6	166.9	2.7	110.2	V362 T363 P446 W447	V362-R401 CarbonylContact C-O 3.53Å; V362-R401 VanDerWaalsContact CA-O 3.3Å; V362-R401 WeakPolarHBondContact CA-O 3.47Å; T363-R401 PolarHBondContact N-O 3.34Å; T363-R401 PolarHBondContact O-N 3.36Å; R401-P446 HydrophobicContact CG-CB 4.13Å; R401-W447 CarbonylContact C-O 3.51Å; R401-W447 VanDerWaalsContact CA-O 3.26Å; R401-W447 WeakPolarHBondContact CA-O 3.13Å; R401-W447 VanDerWaalsContact CG-O 3.31Å; R401-W447 WeakPolarHBondContact CG-O 3.37Å
402	L	95.8	Very high	82.3	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.3	172.7	-81.1	68.4	0	0	0	109.6	L349 V360 E361 V362 I400 V417 V420 I441 P446 W447	L349-L402 HydrophobicContact CD1-CD2 4.09Å; V360-L402 HydrophobicContact CG1-CG 4.5Å; E361-L402 CarbonylContact O-C 3.58Å; E361-L402 WeakPolarHBondContact O-CA 3.49Å; V362-L402 HydrophobicContact CG1-CD1 4.27Å; V362-L402 HydrophobicContact CG2-CG 4.24Å; I400-L402 HydrophobicContact CD1-CD1 4.07Å; I400-L402 HydrophobicContact CG1-CD1 3.82Å; L402-V417 HydrophobicContact CD2-CG1 4.23Å; L402-V417 HydrophobicContact CD2-CG2 4.12Å; L402-V420 HydrophobicContact CD1-CG1 4.2Å; L402-V420 HydrophobicContact CD1-CG2 4.41Å; L402-V420 HydrophobicContact CD2-CB 4.48Å; L402-V420 HydrophobicContact CD2-CG1 4.47Å; L402-I441 HydrophobicContact CB-CG2 4.06Å; L402-P446 WeakPolarHBondContact O-CA 3.32Å; L402-W447 HydrophobicContact CB-CE3 4.23Å; L402-W447 HydrophobicContact CD1-CE3 3.99Å; L402-W447 HydrophobicContact CD1-CZ3 3.91Å; L402-W447 PolarHBondContact N-O 2.83Å; L402-W447 PolarHBondContact O-N 2.89Å
403	R	92.6	Very high	81.5	Confident	107 Å²	107	61.8 Å²	61.8	40%	0.404	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	122	176.4	176.2	177.8	147.9	-171.4	-12.2	110.4	V360 E361 T405	V360-R403 WeakPolarHBondContact CA-O 3.47Å; E361-R403 HydrophobicContact CB-CB 4.33Å; E361-R403 PolarHBondContact N-O 3.35Å; E361-R403 PolarHBondContact O-N 2.87Å; R403-T405 HydrophobicContact CG-CG2 4.19Å; R403-T405 PolarHBondContact O-N 3.12Å
404	N	90.8	Very high	81.3	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	105	166.8	177.9	-0.1	0	0	0	109	E359 G406 Q412 G413 I415 I441 G444	E359-N404 PolarHBondContact O-OD1 3.48Å; N404-G406 PolarHBondContact OD1-N 3.2Å; N404-Q412 PolarHBondContact ND2-O 3.5Å; N404-G413 PolarHBondContact ND2-O 2.86Å; N404-I415 HydrophobicContact CB-CD1 4.07Å; N404-I415 WeakPolarHBondContact ND2-CD1 3.46Å; N404-I441 HydrophobicContact CB-CD1 4.18Å; N404-I441 HydrophobicContact CB-CG1 4.23Å; N404-G444 PolarHBondContact O-N 3.2Å
405	T	84.6	Confident	81.2	Confident	41 Å²	41	65 Å²	65	25%	0.252	31%	0.31	S	S	.	.			trans	-83.6	-17.4	-174.4	58.3	0	0	0	0	113.2	E359 E361 R403	E359-T405 PolarHBondContact O-N 3.41Å; E359-T405 PolarHBondContact O-OG1 3.46Å; E361-T405 HydrophobicContact CB-CG2 3.6Å; E361-T405 VanDerWaalsContact OE2-CG2 3.3Å; E361-T405 WeakPolarHBondContact OE2-CG2 3.4Å; R403-T405 HydrophobicContact CG-CG2 4.19Å; R403-T405 PolarHBondContact O-N 3.12Å
406	G	70.8	Confident	81.5	Confident	5 Å²	5	65.7 Å²	65.7	5%	0.052	31%	0.309	C	S	.	.			trans	46.2	87.1	171.3	0	0	0	0	0	115.6	N404 R408 R443	N404-G406 PolarHBondContact OD1-N 3.2Å; G406-R408 PolarHBondContact O-N 3.29Å; G406-R443 PolarHBondContact O-NH2 2.77Å
407	A	58.6	Low	81.7	Confident	37 Å²	37	60.9 Å²	60.9	31%	0.306	29%	0.286	S	S	.	.			trans	-74.1	125.8	-177.7	0	0	0	0	0	115.2	L409	A407-L409 PolarHBondContact O-N 3.05Å
408	R	59.8	Low	81.9	Confident	237 Å²	237	64.6 Å²	64.6	89%	0.894	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	35.6	-49.2	164.4	-86.9	-178.3	175.2	178.2	-0.9	123.5	G406	G406-R408 PolarHBondContact O-N 3.29Å
409	L	56	Low	82.1	Confident	143 Å²	143	61.9 Å²	61.9	75%	0.749	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.2	-42.6	-164.3	-73.5	160	0	0	0	117.2	A407	A407-L409 PolarHBondContact O-N 3.05Å
410	Y	58.3	Low	82.3	Confident	192 Å²	192	61.2 Å²	61.2	75%	0.753	28%	0.284	S	S	*	.	S	Bend	trans	-155.4	87.5	179.4	-65.1	-80.5	0	0	0	113.3
411	R	64.3	Low	82.3	Confident	86 Å²	86	62 Å²	62	33%	0.325	29%	0.29	S	S	.	.			trans	-140	159.2	-178.1	-69	-164.7	174.9	168	6.6	113.1	S357 E359 G413	S357-R411 WeakPolarHBondContact O-CB 3.33Å; S357-R411 WeakPolarHBondContact O-CD 3.33Å; S357-R411 WeakPolarHBondContact O-CG 3.3Å; E359-R411 IonicContact OE2-NH1 3.85Å; E359-R411 PolarHBondContact OE2-NH1 3.38Å; R411-G413 PolarHBondContact O-N 3.45Å
412	Q	67.4	Low	82.3	Confident	31 Å²	31	56.7 Å²	56.7	15%	0.145	27%	0.27	C	S	.	.			trans	-51	129.4	-178.2	-169.6	117	-9.5	0	0	111.6	L354 K356 A358 N404 D414 I415	L354-Q412 HydrophobicContact CD2-CG 4.31Å; K356-Q412 VanDerWaalsContact N-OE1 3.14Å; A358-Q412 HydrophobicContact CB-CB 4.23Å; N404-Q412 PolarHBondContact ND2-O 3.5Å; Q412-D414 WeakPolarHBondContact CG-O 3.46Å; Q412-D414 PolarHBondContact NE2-O 3.44Å; Q412-I415 HydrophobicContact CB-CG1 4.48Å; Q412-I415 HydrophobicContact CG-CG1 4.14Å
413	G	74.4	Confident	82.3	Confident	37 Å²	37	57.5 Å²	57.5	38%	0.381	28%	0.275	S	S	.	.	S	Bend	trans	-74.1	-56.7	-179	0	0	0	0	0	112.2	N404 R411 R443	N404-G413 PolarHBondContact ND2-O 2.86Å; R411-G413 PolarHBondContact O-N 3.45Å; G413-R443 PolarHBondContact O-N 2.93Å; G413-R443 VanDerWaalsContact O-N 3.17Å
414	D	87.1	Confident	82.4	Confident	96 Å²	96	54.8 Å²	54.8	51%	0.513	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.6	179.2	-64	-13	0	0	0	109.3	Q412 R442	Q412-D414 WeakPolarHBondContact CG-O 3.46Å; Q412-D414 PolarHBondContact NE2-O 3.44Å; D414-R442 WeakPolarHBondContact OD1-CG 3.32Å
415	I	91.4	Very high	82.5	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.6	179.2	-57.3	164.4	0	0	0	107.1	V351 L354 A358 V360 L377 N404 Q412 V417 I441	V351-I415 HydrophobicContact CB-CG2 4.44Å; V351-I415 HydrophobicContact CG1-CG2 4.16Å; L354-I415 HydrophobicContact CD2-CG2 4.16Å; A358-I415 HydrophobicContact CB-CD1 3.54Å; A358-I415 HydrophobicContact CB-CG1 4.21Å; V360-I415 HydrophobicContact CG2-CD1 3.61Å; L377-I415 HydrophobicContact CD1-CD1 4.37Å; L377-I415 HydrophobicContact CD1-CG2 4.36Å; N404-I415 HydrophobicContact CB-CD1 4.07Å; N404-I415 WeakPolarHBondContact ND2-CD1 3.46Å; Q412-I415 HydrophobicContact CB-CG1 4.48Å; Q412-I415 HydrophobicContact CG-CG1 4.14Å; I415-V417 HydrophobicContact CG2-CG2 4.21Å; I415-I441 HydrophobicContact CB-CD1 4.22Å; I415-I441 HydrophobicContact CB-CG1 3.76Å; I415-I441 HydrophobicContact CD1-CD1 4.32Å; I415-I441 HydrophobicContact CG2-CD1 4.48Å; I415-I441 HydrophobicContact CG2-CG1 4.39Å; I415-I441 PolarHBondContact N-O 2.62Å; I415-I441 WeakPolarHBondContact O-CG1 3.47Å; I415-I441 PolarHBondContact O-N 2.82Å
416	H	95.4	Very high	83	Confident	57 Å²	57	55 Å²	55	26%	0.264	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	112.7	170.9	-175.7	79.3	0	0	0	109.3	V351 S352 D438 D440	V351-H416 WeakPolarHBondContact CA-O 3.22Å; S352-H416 PolarHBondContact N-O 2.9Å; S352-H416 PolarHBondContact OG-CD2 2.96Å; H416-D438 IonicContact CE1-OD1 3.57Å; H416-D438 PolarHBondContact CE1-OD1 2.7Å; H416-D438 IonicContact NE2-OD1 2.77Å; H416-D440 IonicContact CE1-OD1 3.07Å; H416-D440 IonicContact CG-OD1 2.99Å; H416-D440 IonicContact ND1-OD1 3.57Å; H416-D440 PolarHBondContact ND1-OD1 2.85Å
417	V	96.5	Very high	84	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	110.6	175.6	175.4	0	0	0	0	107.3	L349 E350 V351 L402 I415 S419 I439 I441	L349-V417 HydrophobicContact CD1-CB 4.49Å; L349-V417 HydrophobicContact CD1-CG1 3.47Å; L349-V417 VanDerWaalsContact CD1-CG1 3.47Å; L349-V417 HydrophobicContact CD1-CG2 4.21Å; E350-V417 CarbonylContact O-C 3.49Å; V351-V417 HydrophobicContact CG1-CG2 4.12Å; L402-V417 HydrophobicContact CD2-CG1 4.23Å; L402-V417 HydrophobicContact CD2-CG2 4.12Å; I415-V417 HydrophobicContact CG2-CG2 4.21Å; V417-S419 WeakPolarHBondContact CG1-O 3.24Å; V417-I439 HydrophobicContact CB-CB 4.11Å; V417-I439 WeakPolarHBondContact CB-O 3.47Å; V417-I439 HydrophobicContact CG1-CD1 4.33Å; V417-I439 PolarHBondContact N-O 3.24Å; V417-I439 PolarHBondContact O-N 3.07Å; V417-I441 HydrophobicContact CG2-CD1 3.98Å; V417-I441 HydrophobicContact CG2-CG1 4.26Å
418	K	97.6	Very high	85.1	Confident	81 Å²	81	63.8 Å²	63.8	35%	0.352	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	-43.3	178.9	-69.7	177.5	176.9	-178.8	0	111.3	E350 N437 D438	E350-K418 HydrophobicContact CB-CB 4.33Å; E350-K418 HydrophobicContact CG-CB 4.18Å; E350-K418 HydrophobicContact CG-CD 3.92Å; E350-K418 PolarHBondContact O-N 2.04Å; E350-K418 WeakPolarHBondContact OE1-CD 3.5Å; E350-K418 IonicContact OE1-NZ 3.2Å; E350-K418 PolarHBondContact OE1-NZ 2.79Å; K418-N437 CarbonylContact O-C 3.57Å; K418-N437 VanDerWaalsContact O-CA 3.24Å; K418-N437 WeakPolarHBondContact O-CA 3.46Å; K418-N437 WeakPolarHBondContact O-CB 3.28Å; K418-D438 PolarHBondContact O-N 3.47Å
419	S	97.4	Very high	85.7	Confident	16 Å²	16	57.9 Å²	57.9	11%	0.112	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	147.5	176.2	65.9	0	0	0	0	112	E350 V417 V436 N437	E350-S419 WeakPolarHBondContact CB-OG 3.32Å; E350-S419 PolarHBondContact N-O 2.84Å; E350-S419 PolarHBondContact O-N 2.88Å; V417-S419 WeakPolarHBondContact CG1-O 3.24Å; S419-V436 CarbonylContact C-O 3.22Å; S419-V436 WeakPolarHBondContact CA-O 3.47Å; S419-N437 VanDerWaalsContact CB-OD1 3.22Å; S419-N437 WeakPolarHBondContact CB-OD1 3.25Å
420	V	97.3	Very high	86.5	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	121.7	162.4	63.4	0	0	0	0	108	L347 T348 L349 I400 L402 C435 V436 I439	L347-V420 HydrophobicContact CD1-CG2 3.71Å; T348-V420 CarbonylContact O-C 3.55Å; T348-V420 WeakPolarHBondContact O-CA 3.07Å; L349-V420 HydrophobicContact CD1-CB 4.1Å; L349-V420 HydrophobicContact CD1-CG2 4.21Å; I400-V420 HydrophobicContact CD1-CG1 4.24Å; I400-V420 HydrophobicContact CD1-CG2 3.6Å; L402-V420 HydrophobicContact CD1-CG1 4.2Å; L402-V420 HydrophobicContact CD1-CG2 4.41Å; L402-V420 HydrophobicContact CD2-CB 4.48Å; L402-V420 HydrophobicContact CD2-CG1 4.47Å; V420-C435 CarbonylContact O-C 3.55Å; V420-C435 VanDerWaalsContact O-CA 3.32Å; V420-C435 WeakPolarHBondContact O-CA 3.48Å; V420-V436 HydrophobicContact CG1-CB 4.15Å; V420-V436 PolarHBondContact N-O 2.95Å; V420-V436 PolarHBondContact O-N 3.02Å; V420-I439 HydrophobicContact CG1-CD1 3.64Å
421	C	96.1	Very high	87.6	Confident	20 Å²	20	55.1 Å²	55.1	14%	0.135	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.1	-176	-62.8	0	0	0	0	111.3	L347 T348 P433 L434 C435	L347-C421 WeakPolarHBondContact CA-O 3.06Å; T348-C421 PolarHBondContact N-O 2.83Å; T348-C421 PolarHBondContact O-N 2.82Å; C421-P433 HydrophobicContact CB-CB 4.27Å; C421-L434 CarbonylContact C-O 3.49Å; C421-L434 WeakPolarHBondContact CA-O 3.33Å; C421-C435 HydrophobicContact CB-CB 4.17Å; C421-C435 WeakPolarHBondContact CB-SG 3.32Å; C421-C435 WeakPolarHBondContact SG-CB 3.49Å; C421-C435 CovalentContact SG-SG 2.04Å; C421-C435 PolarHBondContact SG-SG 3.17Å
422	V	96.2	Very high	88.5	Confident	1 Å²	1	55 Å²	55	1%	0.006	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	141	172.8	-67.8	0	0	0	0	111.6	I345 L346 L347 L364 L394 I400 P433 L434 F451	I345-V422 HydrophobicContact CG2-CB 4.07Å; I345-V422 HydrophobicContact CG2-CG1 4.2Å; L346-V422 VanDerWaalsContact O-CA 3.32Å; L346-V422 WeakPolarHBondContact O-CA 3.49Å; L347-V422 HydrophobicContact CD1-CG1 3.6Å; L364-V422 HydrophobicContact CD2-CG1 4.09Å; L394-V422 HydrophobicContact CD1-CB 4.14Å; L394-V422 HydrophobicContact CD1-CG2 3.69Å; I400-V422 HydrophobicContact CD1-CG1 4.37Å; V422-P433 WeakPolarHBondContact O-CA 3.16Å; V422-L434 HydrophobicContact CG2-CB 3.82Å; V422-L434 HydrophobicContact CG2-CD1 4.01Å; V422-L434 HydrophobicContact CG2-CG 4.31Å; V422-L434 PolarHBondContact N-O 3.3Å; V422-L434 PolarHBondContact O-N 3.5Å; V422-F451 HydrophobicContact CG2-CE1 4.27Å; V422-F451 HydrophobicContact CG2-CE2 4.35Å; V422-F451 HydrophobicContact CG2-CZ 3.75Å
423	S	95.3	Very high	89.6	Confident	17 Å²	17	56.8 Å²	56.8	12%	0.119	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.2	174.4	-58.7	0	0	0	0	110.4	I345 L346 L427 P433	I345-S423 CarbonylContact C-O 3.55Å; I345-S423 WeakPolarHBondContact CA-O 3.38Å; L346-S423 PolarHBondContact N-O 2.81Å; L346-S423 PolarHBondContact O-N 2.97Å; S423-L427 VanDerWaalsContact CB-CD2 3.49Å; S423-P433 WeakPolarHBondContact OG-CA 3.04Å; S423-P433 VanDerWaalsContact OG-CB 3.29Å; S423-P433 WeakPolarHBondContact OG-CB 3.48Å
424	E	94.4	Very high	90.5	Very high	50 Å²	50	57.3 Å²	57.3	23%	0.234	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134	173.3	-167.6	168.8	157.3	0	0	110.2	H343 H344 I345 L394	H343-E424 IonicContact CE1-OE1 2.78Å; H343-E424 IonicContact CG-OE1 3.55Å; H343-E424 IonicContact ND1-OE1 3.4Å; H343-E424 PolarHBondContact ND1-OE1 2.85Å; H344-E424 CarbonylContact O-C 3.2Å; H344-E424 WeakPolarHBondContact O-CA 3.26Å; I345-E424 HydrophobicContact CD1-CB 4.32Å; I345-E424 HydrophobicContact CD1-CG 4.21Å; L394-E424 HydrophobicContact CB-CB 3.97Å; L394-E424 WeakPolarHBondContact CB-OE2 3.46Å; L394-E424 HydrophobicContact CD2-CB 4.39Å; L394-E424 PolarHBondContact N-OE2 3.37Å
425	L	94.4	Very high	90.9	Very high	8 Å²	8	55.3 Å²	55.3	4%	0.042	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	149	176	-54.9	-177.4	0	0	0	111.1	I285 V299 H344 L346 V387 L427	I285-L425 HydrophobicContact CD1-CB 3.38Å; I285-L425 HydrophobicContact CD1-CD1 3.76Å; I285-L425 HydrophobicContact CD1-CG 4.21Å; V299-L425 HydrophobicContact CB-CD2 4.04Å; V299-L425 HydrophobicContact CG1-CD2 4.2Å; H344-L425 HydrophobicContact CB-CB 3.88Å; H344-L425 HydrophobicContact CB-CD1 4.45Å; H344-L425 HydrophobicContact CB-CG 4.39Å; H344-L425 PolarHBondContact O-N 3.44Å; L346-L425 HydrophobicContact CB-CD1 4.43Å; L346-L425 HydrophobicContact CB-CD2 4.01Å; L346-L425 HydrophobicContact CB-CG 4.14Å; L346-L425 HydrophobicContact CD2-CD2 4.3Å; V387-L425 HydrophobicContact CG1-CD1 4.08Å; V387-L425 HydrophobicContact CG2-CD1 3.68Å; L425-L427 HydrophobicContact CD2-CD1 4.5Å; L425-L427 HydrophobicContact CD2-CD2 3.87Å; L425-L427 HydrophobicContact CD2-CG 3.69Å
426	P	94.2	Very high	91.1	Very high	37 Å²	37	56.2 Å²	56.2	24%	0.24	31%	0.305	C	S	.	.	S	Bend	cis	-70	141.4	-4.3	32	-38	0	0	0	112.2	V299 C308 R428	V299-P426 CarbonylContact O-C 3.36Å; V299-P426 WeakPolarHBondContact O-CA 3.46Å; C308-P426 VanDerWaalsContact SG-CG 3.55Å; P426-R428 PolarHBondContact O-N 3.5Å
427	L	91.2	Very high	91.1	Very high	60 Å²	60	58.2 Å²	58.2	31%	0.314	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-64.2	132.4	176.7	-65.1	-176.6	0	0	0	110.5	V299 S423 L425	V299-L427 HydrophobicContact CB-CD1 3.62Å; V299-L427 HydrophobicContact CB-CG 3.91Å; V299-L427 HydrophobicContact CG1-CD1 4.08Å; V299-L427 HydrophobicContact CG2-CD1 3.85Å; V299-L427 HydrophobicContact CG2-CG 4.44Å; V299-L427 PolarHBondContact O-N 2.93Å; S423-L427 VanDerWaalsContact CB-CD2 3.49Å; L425-L427 HydrophobicContact CD2-CD1 4.5Å; L425-L427 HydrophobicContact CD2-CD2 3.87Å; L425-L427 HydrophobicContact CD2-CG 3.69Å
428	R	83.3	Confident	91	Very high	167 Å²	167	64 Å²	64	63%	0.63	35%	0.349	S	S	*	.			trans	-104.2	145.5	172.1	-60.1	-178.2	-177.4	170	-1.3	109.6	P426 H430 E431	P426-R428 PolarHBondContact O-N 3.5Å; R428-H430 PolarHBondContact O-N 3.44Å; R428-E431 HydrophobicContact CB-CG 4.31Å; R428-E431 WeakPolarHBondContact CD-OE1 3.37Å; R428-E431 IonicContact NH1-OE1 2.62Å; R428-E431 PolarHBondContact O-N 3.27Å
429	S	70.6	Confident	90.9	Very high	113 Å²	113	60.2 Å²	60.2	79%	0.79	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-15.4	-175.4	52.2	0	0	0	0	115.5
430	H	73.4	Confident	90.7	Very high	178 Å²	178	64.7 Å²	64.7	82%	0.824	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	-3.3	-177.7	-60.2	-67.4	0	0	0	114	R428	R428-H430 PolarHBondContact O-N 3.44Å
431	E	81	Confident	90.4	Very high	99 Å²	99	64.6 Å²	64.6	46%	0.463	35%	0.354	S	S	.	.			trans	-100.2	110.4	-176.5	-72.2	171.7	-170	0	0	110	R428	R428-E431 HydrophobicContact CB-CG 4.31Å; R428-E431 WeakPolarHBondContact CD-OE1 3.37Å; R428-E431 IonicContact NH1-OE1 2.62Å; R428-E431 PolarHBondContact O-N 3.27Å
432	A	83.9	Confident	90	Very high	84 Å²	84	71.6 Å²	71.6	69%	0.694	38%	0.378	S	S	*	.			trans	-79.8	144.9	175.5	0	0	0	0	0	110.9
433	P	91.1	Very high	89.4	Confident	67 Å²	67	78.3 Å²	78.3	44%	0.435	40%	0.403	S	S	.	.			trans	-61.6	145.3	171.9	26.1	-33.9	0	0	0	111.3	C421 V422 S423 C435	C421-P433 HydrophobicContact CB-CB 4.27Å; V422-P433 WeakPolarHBondContact O-CA 3.16Å; S423-P433 WeakPolarHBondContact OG-CA 3.04Å; S423-P433 VanDerWaalsContact OG-CB 3.29Å; S423-P433 WeakPolarHBondContact OG-CB 3.48Å; P433-C435 PolarHBondContact O-N 2.04Å
434	L	93.3	Very high	88.5	Confident	48 Å²	48	80 Å²	80	25%	0.251	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	115.8	166.8	-49.3	174.2	0	0	0	108	L394 C421 V422 F451 Q453	L394-L434 HydrophobicContact CD1-CD1 3.95Å; L394-L434 HydrophobicContact CD2-CD1 4.12Å; L394-L434 HydrophobicContact CD2-CG 4.35Å; L394-L434 HydrophobicContact CG-CD1 4Å; C421-L434 CarbonylContact C-O 3.49Å; C421-L434 WeakPolarHBondContact CA-O 3.33Å; V422-L434 HydrophobicContact CG2-CB 3.82Å; V422-L434 HydrophobicContact CG2-CD1 4.01Å; V422-L434 HydrophobicContact CG2-CG 4.31Å; V422-L434 PolarHBondContact N-O 3.3Å; V422-L434 PolarHBondContact O-N 3.5Å; L434-F451 HydrophobicContact CB-CD1 4.43Å; L434-F451 HydrophobicContact CB-CE1 4.13Å; L434-F451 HydrophobicContact CD1-CD1 4.01Å; L434-F451 HydrophobicContact CD1-CE1 4.21Å; L434-F451 HydrophobicContact CD1-CG 4.28Å; L434-Q453 HydrophobicContact CD1-CG 4.33Å
435	C	94.3	Very high	88.1	Confident	54 Å²	54	81.8 Å²	81.8	37%	0.365	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.4	-177.7	-63.6	0	0	0	0	111.2	V420 C421 P433	V420-C435 CarbonylContact O-C 3.55Å; V420-C435 VanDerWaalsContact O-CA 3.32Å; V420-C435 WeakPolarHBondContact O-CA 3.48Å; C421-C435 HydrophobicContact CB-CB 4.17Å; C421-C435 WeakPolarHBondContact CB-SG 3.32Å; C421-C435 WeakPolarHBondContact SG-CB 3.49Å; C421-C435 CovalentContact SG-SG 2.04Å; C421-C435 PolarHBondContact SG-SG 3.17Å; P433-C435 PolarHBondContact O-N 2.04Å
436	V	95.4	Very high	87.7	Confident	20 Å²	20	84.9 Å²	84.9	12%	0.121	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.6	164.5	-167	0	0	0	0	108.2	S419 V420 I439 W447 H449	S419-V436 CarbonylContact C-O 3.22Å; S419-V436 WeakPolarHBondContact CA-O 3.47Å; V420-V436 HydrophobicContact CG1-CB 4.15Å; V420-V436 PolarHBondContact N-O 2.95Å; V420-V436 PolarHBondContact O-N 3.02Å; V436-I439 HydrophobicContact CB-CD1 4.08Å; V436-I439 HydrophobicContact CG1-CD1 4.02Å; V436-I439 HydrophobicContact CG1-CG1 4.23Å; V436-W447 HydrophobicContact CB-CH2 3.91Å; V436-W447 HydrophobicContact CG1-CH2 3.51Å; V436-W447 HydrophobicContact CG1-CZ2 3.69Å; V436-W447 HydrophobicContact CG2-CH2 4.23Å; V436-H449 HydrophobicContact CG2-CB 4.19Å; V436-H449 WeakPolarHBondContact CG2-CD2 3.26Å
437	N	96.2	Very high	87.7	Confident	99 Å²	99	86.1 Å²	86.1	53%	0.529	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	162.8	-171.7	-55.4	-44	0	0	0	110.9	K418 S419	K418-N437 CarbonylContact O-C 3.57Å; K418-N437 VanDerWaalsContact O-CA 3.24Å; K418-N437 WeakPolarHBondContact O-CA 3.46Å; K418-N437 WeakPolarHBondContact O-CB 3.28Å; S419-N437 VanDerWaalsContact CB-OD1 3.22Å; S419-N437 WeakPolarHBondContact CB-OD1 3.25Å
438	D	95.4	Very high	87.8	Confident	122 Å²	122	86.7 Å²	86.7	65%	0.652	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	57.6	60.7	168.5	-161.5	36.1	0	0	0	112.9	H416 K418	H416-D438 IonicContact CE1-OD1 3.57Å; H416-D438 PolarHBondContact CE1-OD1 2.7Å; H416-D438 IonicContact NE2-OD1 2.77Å; K418-D438 PolarHBondContact O-N 3.47Å
439	I	94.9	Very high	88.3	Confident	2 Å²	2	82.4 Å²	82.4	1%	0.01	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.6	-174.3	-51.7	159.7	0	0	0	109.8	V417 V420 V436 I441 W447	V417-I439 HydrophobicContact CB-CB 4.11Å; V417-I439 WeakPolarHBondContact CB-O 3.47Å; V417-I439 HydrophobicContact CG1-CD1 4.33Å; V417-I439 PolarHBondContact N-O 3.24Å; V417-I439 PolarHBondContact O-N 3.07Å; V420-I439 HydrophobicContact CG1-CD1 3.64Å; V436-I439 HydrophobicContact CB-CD1 4.08Å; V436-I439 HydrophobicContact CG1-CD1 4.02Å; V436-I439 HydrophobicContact CG1-CG1 4.23Å; I439-I441 HydrophobicContact CG2-CG2 3.85Å; I439-W447 HydrophobicContact CD1-CE3 4.31Å; I439-W447 HydrophobicContact CD1-CH2 3.45Å; I439-W447 VanDerWaalsContact CD1-CH2 3.45Å; I439-W447 HydrophobicContact CD1-CZ2 3.78Å; I439-W447 HydrophobicContact CD1-CZ3 3.77Å; I439-W447 HydrophobicContact CG1-CH2 3.94Å; I439-W447 HydrophobicContact CG1-CZ2 3.7Å; I439-W447 HydrophobicContact CG1-CZ3 4.5Å; I439-W447 HydrophobicContact CG2-CB 4.37Å; I439-W447 HydrophobicContact CG2-CD2 3.5Å; I439-W447 VanDerWaalsContact CG2-CD2 3.5Å; I439-W447 HydrophobicContact CG2-CE3 4.03Å; I439-W447 HydrophobicContact CG2-CG 3.66Å; I439-W447 HydrophobicContact CG2-CZ2 4.13Å
440	D	92.8	Very high	89.3	Confident	109 Å²	109	82.3 Å²	82.3	58%	0.583	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	113.9	170.7	-70.7	-45.8	0	0	0	110.9	H416	H416-D440 IonicContact CE1-OD1 3.07Å; H416-D440 IonicContact CG-OD1 2.99Å; H416-D440 IonicContact ND1-OD1 3.57Å; H416-D440 PolarHBondContact ND1-OD1 2.85Å
441	I	91.8	Very high	90.1	Very high	1 Å²	1	75 Å²	75	1%	0.005	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	118	175	62	179.4	0	0	0	110.9	V360 L402 N404 I415 V417 I439 W447	V360-I441 HydrophobicContact CB-CD1 4.45Å; V360-I441 HydrophobicContact CG1-CD1 3.84Å; V360-I441 HydrophobicContact CG2-CD1 3.71Å; L402-I441 HydrophobicContact CB-CG2 4.06Å; N404-I441 HydrophobicContact CB-CD1 4.18Å; N404-I441 HydrophobicContact CB-CG1 4.23Å; I415-I441 HydrophobicContact CB-CD1 4.22Å; I415-I441 HydrophobicContact CB-CG1 3.76Å; I415-I441 HydrophobicContact CD1-CD1 4.32Å; I415-I441 HydrophobicContact CG2-CD1 4.48Å; I415-I441 HydrophobicContact CG2-CG1 4.39Å; I415-I441 PolarHBondContact N-O 2.62Å; I415-I441 WeakPolarHBondContact O-CG1 3.47Å; I415-I441 PolarHBondContact O-N 2.82Å; V417-I441 HydrophobicContact CG2-CD1 3.98Å; V417-I441 HydrophobicContact CG2-CG1 4.26Å; I439-I441 HydrophobicContact CG2-CG2 3.85Å; I441-W447 HydrophobicContact CG2-CB 3.89Å
442	R	88	Confident	89.9	Confident	168 Å²	168	77.4 Å²	77.4	63%	0.634	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	151.1	172.9	-59.5	-170.5	-176.3	166.6	3	110.4	D414 G444 V445	D414-R442 WeakPolarHBondContact OD1-CG 3.32Å; R442-G444 PolarHBondContact O-N 3.24Å; R442-V445 HydrophobicContact CB-CB 4.42Å; R442-V445 HydrophobicContact CB-CG2 4.42Å; R442-V445 PolarHBondContact O-N 2.8Å
443	R	83.4	Confident	89.2	Confident	142 Å²	142	76.3 Å²	76.3	54%	0.536	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-54.6	126.6	178.4	-169.5	177.7	-177	-171	2.6	112	G406 G413 V445	G406-R443 PolarHBondContact O-NH2 2.77Å; G413-R443 PolarHBondContact O-N 2.93Å; G413-R443 VanDerWaalsContact O-N 3.17Å; R443-V445 PolarHBondContact O-N 3.12Å
444	G	75.8	Confident	87.7	Confident	51 Å²	51	79.7 Å²	79.7	53%	0.526	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	-5	175.5	0	0	0	0	0	115.8	N404 R442	N404-G444 PolarHBondContact O-N 3.2Å; R442-G444 PolarHBondContact O-N 3.24Å
445	V	85.1	Confident	86.8	Confident	88 Å²	88	79.6 Å²	79.6	53%	0.533	43%	0.434	S	S	.	.			trans	-100.3	113	176	-176.5	0	0	0	0	108.2	R442 R443	R442-V445 HydrophobicContact CB-CB 4.42Å; R442-V445 HydrophobicContact CB-CG2 4.42Å; R442-V445 PolarHBondContact O-N 2.8Å; R443-V445 PolarHBondContact O-N 3.12Å
446	P	87.1	Confident	85.1	Confident	73 Å²	73	80 Å²	80	47%	0.474	45%	0.448	S	S	.	.			trans	-71.1	139.1	176.5	29.6	-32.6	0	0	0	110.2	R401 L402	R401-P446 HydrophobicContact CG-CB 4.13Å; L402-P446 WeakPolarHBondContact O-CA 3.32Å
447	W	94.3	Very high	82.2	Confident	63 Å²	63	86.2 Å²	86.2	24%	0.239	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	146	166.1	175.8	95.3	0	0	0	108.6	I400 R401 L402 V436 I439 I441 H449	I400-W447 HydrophobicContact CG2-CZ3 4.33Å; R401-W447 CarbonylContact C-O 3.51Å; R401-W447 VanDerWaalsContact CA-O 3.26Å; R401-W447 WeakPolarHBondContact CA-O 3.13Å; R401-W447 VanDerWaalsContact CG-O 3.31Å; R401-W447 WeakPolarHBondContact CG-O 3.37Å; L402-W447 HydrophobicContact CB-CE3 4.23Å; L402-W447 HydrophobicContact CD1-CE3 3.99Å; L402-W447 HydrophobicContact CD1-CZ3 3.91Å; L402-W447 PolarHBondContact N-O 2.83Å; L402-W447 PolarHBondContact O-N 2.89Å; V436-W447 HydrophobicContact CB-CH2 3.91Å; V436-W447 HydrophobicContact CG1-CH2 3.51Å; V436-W447 HydrophobicContact CG1-CZ2 3.69Å; V436-W447 HydrophobicContact CG2-CH2 4.23Å; I439-W447 HydrophobicContact CD1-CE3 4.31Å; I439-W447 HydrophobicContact CD1-CH2 3.45Å; I439-W447 VanDerWaalsContact CD1-CH2 3.45Å; I439-W447 HydrophobicContact CD1-CZ2 3.78Å; I439-W447 HydrophobicContact CD1-CZ3 3.77Å; I439-W447 HydrophobicContact CG1-CH2 3.94Å; I439-W447 HydrophobicContact CG1-CZ2 3.7Å; I439-W447 HydrophobicContact CG1-CZ3 4.5Å; I439-W447 HydrophobicContact CG2-CB 4.37Å; I439-W447 HydrophobicContact CG2-CD2 3.5Å; I439-W447 VanDerWaalsContact CG2-CD2 3.5Å; I439-W447 HydrophobicContact CG2-CE3 4.03Å; I439-W447 HydrophobicContact CG2-CG 3.66Å; I439-W447 HydrophobicContact CG2-CZ2 4.13Å; I441-W447 HydrophobicContact CG2-CB 3.89Å; W447-H449 HydrophobicContact CH2-CB 3.31Å; W447-H449 HydrophobicContact CZ2-CB 3.83Å; W447-H449 HydrophobicContact CZ3-CB 3.85Å
448	S	93.6	Very high	79.2	Confident	72 Å²	72	90.3 Å²	90.3	50%	0.503	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	154	177.5	57.2	0	0	0	0	112.3	I400	I400-S448 CarbonylContact O-C 3.59Å; I400-S448 VanDerWaalsContact O-CA 3.26Å; I400-S448 WeakPolarHBondContact O-CA 3.36Å
449	H	93.6	Very high	78.4	Confident	77 Å²	77	88.8 Å²	88.8	36%	0.356	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	131.8	173.8	-179.4	86.1	0	0	0	110.1	S399 I400 V436 W447	S399-H449 CarbonylContact C-O 3.58Å; S399-H449 VanDerWaalsContact CA-O 3.24Å; S399-H449 WeakPolarHBondContact CA-O 3.13Å; S399-H449 WeakPolarHBondContact CB-O 3.21Å; I400-H449 HydrophobicContact CG2-CB 4.13Å; I400-H449 PolarHBondContact N-O 2.74Å; I400-H449 PolarHBondContact O-N 3.38Å; V436-H449 HydrophobicContact CG2-CB 4.19Å; V436-H449 WeakPolarHBondContact CG2-CD2 3.26Å; W447-H449 HydrophobicContact CH2-CB 3.31Å; W447-H449 HydrophobicContact CZ2-CB 3.83Å; W447-H449 HydrophobicContact CZ3-CB 3.85Å
450	D	92.2	Very high	77.5	Confident	111 Å²	111	93.3 Å²	93.3	59%	0.594	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	129.7	176.6	-58.7	-32.5	0	0	0	109.6	D398 S399	D398-D450 CarbonylContact O-C 3.57Å; D398-D450 WeakPolarHBondContact O-CA 3.45Å; S399-D450 WeakPolarHBondContact CB-OD1 3.34Å
451	F	88.6	Confident	76.6	Confident	26 Å²	26	92.4 Å²	92.4	11%	0.114	54%	0.54	C	S	.	.			trans	-81	130.1	174.1	-61.2	-59.4	0	0	0	109.5	I397 D398 I400 V422 L434 Q453	I397-F451 HydrophobicContact CG2-CD2 4.14Å; I397-F451 HydrophobicContact CG2-CE2 4.14Å; D398-F451 PolarHBondContact O-N 3.19Å; I400-F451 HydrophobicContact CB-CE2 3.8Å; I400-F451 HydrophobicContact CB-CZ 3.64Å; I400-F451 HydrophobicContact CG2-CE1 4Å; I400-F451 HydrophobicContact CG2-CE2 4.02Å; I400-F451 HydrophobicContact CG2-CZ 3.47Å; I400-F451 VanDerWaalsContact CG2-CZ 3.47Å; V422-F451 HydrophobicContact CG2-CE1 4.27Å; V422-F451 HydrophobicContact CG2-CE2 4.35Å; V422-F451 HydrophobicContact CG2-CZ 3.75Å; L434-F451 HydrophobicContact CB-CD1 4.43Å; L434-F451 HydrophobicContact CB-CE1 4.13Å; L434-F451 HydrophobicContact CD1-CD1 4.01Å; L434-F451 HydrophobicContact CD1-CE1 4.21Å; L434-F451 HydrophobicContact CD1-CG 4.28Å; F451-Q453 HydrophobicContact CB-CG 3.99Å; F451-Q453 PolarHBondContact O-N 3.14Å
452	V	76.4	Confident	75.8	Confident	148 Å²	148	97.8 Å²	97.8	90%	0.897	57%	0.571	S	S	*	*			trans	-94	93.8	170.2	-176.1	0	0	0	0	107.6
453	Q	70	Confident	75	Confident	61 Å²	61	93.4 Å²	93.4	29%	0.285	57%	0.567	S	S	.	*			trans	-125.1	147.8	179.6	-55.9	-157.9	-74.3	0	0	112.5	L394 C395 L434 F451	L394-Q453 PolarHBondContact O-OE1 3.37Å; C395-Q453 VanDerWaalsContact CA-OE1 3.25Å; C395-Q453 WeakPolarHBondContact O-CB 3.47Å; L434-Q453 HydrophobicContact CD1-CG 4.33Å; F451-Q453 HydrophobicContact CB-CG 3.99Å; F451-Q453 PolarHBondContact O-N 3.14Å
454	V	60.6	Low	74.4	Confident	138 Å²	138	90.2 Å²	90.2	84%	0.836	57%	0.569	S	S	*	*			trans	-124.2	110.8	170.5	-173.9	0	0	0	0	106.5	G456	V454-G456 PolarHBondContact O-N 3.04Å
455	C	73	Confident	74.3	Confident	46 Å²	46	93 Å²	93	31%	0.311	57%	0.573	S	S	.	*			trans	-61.5	122.9	167	-64.7	0	0	0	0	108	C395 Q396 T457	C395-C455 HydrophobicContact CB-CB 4.05Å; C395-C455 WeakPolarHBondContact CB-SG 3.45Å; C395-C455 PolarHBondContact O-SG 2.81Å; C395-C455 VanDerWaalsContact SG-CA 3.59Å; C395-C455 WeakPolarHBondContact SG-CB 3.11Å; C395-C455 CovalentContact SG-SG 2.04Å; C395-C455 PolarHBondContact SG-SG 3.49Å; Q396-C455 WeakPolarHBondContact CG-SG 3.44Å; C455-T457 PolarHBondContact O-N 3.35Å
456	G	58.1	Low	73.5	Confident	64 Å²	64	93.4 Å²	93.4	66%	0.66	58%	0.576	S	S	*	*			trans	-57	134.7	168.4	0	0	0	0	0	108.9	V454 S458	V454-G456 PolarHBondContact O-N 3.04Å; G456-S458 VanDerWaalsContact C-N 3.29Å; G456-S458 PolarHBondContact O-N 2.99Å
457	T	35.9	Very low	72.4	Confident	150 Å²	150	95.1 Å²	95.1	92%	0.92	58%	0.584	S	S	*	*			trans	-67.4	92.9	165.5	50.2	0	0	0	0	107.4	C455	C455-T457 PolarHBondContact O-N 3.35Å
458	S	32.3	Very low	70.4	Confident	185 Å²	185	98 Å²	98	100%	1.294	62%	0.616	S	S	*	*			trans	-90.2	0	172.7	63.1	0	0	0	0	110.9	G456	G456-S458 VanDerWaalsContact C-N 3.29Å; G456-S458 PolarHBondContact O-N 2.99Å

Retrieved 458 of 458 residues in 720.7 ms (Link to these results)

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