A0A096N8F3_PAPAN Loading...

Potassium inwardly rectifying channel subfamily J member 1

AlphaFold DB , UniProt , Accession A0A096N8F3, Species PAPAN (Papio anubis, Olive baboon), Gene KCNJ1, Length 420 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.6	Very low	27.7	Very low	233 Å²	233	161.9 Å²	161.9	100%	1.148	84%	0.842	S	S	*	*				0	98	0	-172.7	169.6	164.4	0	0	107.1
2	L	26.4	Very low	27.9	Very low	158 Å²	158	154.9 Å²	154.9	83%	0.827	82%	0.818	S	S	*	*			trans	49.7	120.5	178.6	-71.5	111.9	0	0	0	117.8
3	M	25.7	Very low	28.3	Very low	156 Å²	156	150.6 Å²	150.6	77%	0.768	81%	0.808	S	S	*	*			cis	-162.4	73.8	4.1	-165.4	163.2	131.9	0	0	107.1	L5	M3-L5 PolarHBondContact O-N 3.25Å
4	R	27.1	Very low	28.9	Very low	249 Å²	249	147.5 Å²	147.5	94%	0.94	80%	0.797	S	S	*	*			trans	-79	97.5	152.8	-85.5	-176.3	173.9	-170.4	-1	106.1
5	L	26.1	Very low	29.5	Very low	144 Å²	144	142.7 Å²	142.7	75%	0.754	78%	0.775	S	S	*	*			trans	-159.6	128	172	-108.3	157.7	0	0	0	108.6	M3	M3-L5 PolarHBondContact O-N 3.25Å
6	V	27.1	Very low	29.8	Very low	119 Å²	119	144.1 Å²	144.1	72%	0.721	77%	0.772	S	S	*	*			trans	84	74.8	163.9	-158.8	0	0	0	0	117.4
7	L	27.2	Very low	30.3	Very low	185 Å²	185	142.8 Å²	142.8	97%	0.969	76%	0.764	S	S	*	*	S	Bend	trans	-154.2	59.5	139.8	-108.9	141.5	0	0	0	109.3
8	S	26.8	Very low	30.7	Very low	119 Å²	119	139.1 Å²	139.1	83%	0.832	75%	0.751	S	S	*	*			trans	-152.9	96.3	163.3	176.8	0	0	0	0	106.5
9	A	28.4	Very low	30.9	Very low	79 Å²	79	142.1 Å²	142.1	65%	0.653	75%	0.75	S	S	*	*			trans	-147.6	85.5	166.9	0	0	0	0	0	107.7	L11	A9-L11 HydrophobicContact CB-CD1 4.11Å; A9-L11 PolarHBondContact O-N 3.49Å; A9-L11 VanDerWaalsContact O-N 3.12Å
10	H	30.6	Very low	31.6	Very low	200 Å²	200	138.1 Å²	138.1	93%	0.926	73%	0.732	S	S	*	*			trans	-53.1	106	151.1	-110.1	-46.8	0	0	0	107.6
11	L	28.6	Very low	32.1	Very low	139 Å²	139	138.6 Å²	138.6	73%	0.728	73%	0.73	S	S	*	*			trans	-115	118.8	160.5	-100.6	90.1	0	0	0	109.1	A9 S13	A9-L11 HydrophobicContact CB-CD1 4.11Å; A9-L11 PolarHBondContact O-N 3.49Å; A9-L11 VanDerWaalsContact O-N 3.12Å; L11-S13 PolarHBondContact O-N 3.29Å
12	S	30.8	Very low	32.7	Very low	78 Å²	78	130.3 Å²	130.3	55%	0.545	70%	0.698	S	S	.	*			trans	-52.5	121.2	169.4	49.6	0	0	0	0	111	T14 T15	S12-T14 PolarHBondContact O-N 3.13Å; S12-T15 PolarHBondContact O-OG1 3.25Å
13	S	32.6	Very low	33.4	Very low	99 Å²	99	125.1 Å²	125.1	69%	0.692	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	6.2	179.7	44.3	0	0	0	0	115.2	L11	L11-S13 PolarHBondContact O-N 3.29Å
14	T	37.1	Very low	34.2	Very low	107 Å²	107	122.9 Å²	122.9	66%	0.656	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	-20.2	-179.6	43.8	0	0	0	0	113.7	S12	S12-T14 PolarHBondContact O-N 3.13Å
15	T	37.8	Very low	34.8	Very low	75 Å²	75	114.3 Å²	114.3	46%	0.46	65%	0.647	S	S	.	*	S	Bend	trans	-85.3	-28.2	-178.3	47	0	0	0	0	113.5	S12 L17 S18	S12-T15 PolarHBondContact O-OG1 3.25Å; T15-L17 PolarHBondContact O-N 3.17Å; T15-S18 PolarHBondContact O-N 3.5Å
16	F	34	Very low	35.3	Very low	166 Å²	166	114.7 Å²	114.7	73%	0.728	64%	0.638	S	S	*	*	H	α-helix	trans	-73.2	-26.7	-177.6	-141.8	-94.7	0	0	0	113.5	T20	F16-T20 PolarHBondContact O-OG1 3.26Å
17	L	38.1	Very low	35.7	Very low	122 Å²	122	115 Å²	115	64%	0.639	63%	0.632	S	S	*	*	H	α-helix	trans	-78.5	-21	177.3	-89.2	145.3	0	0	0	113.7	T15 T20 H21	T15-L17 PolarHBondContact O-N 3.17Å; L17-T20 PolarHBondContact O-OG1 3.39Å; L17-H21 PolarHBondContact O-N 3.31Å
18	S	38	Very low	36.1	Very low	76 Å²	76	112.3 Å²	112.3	53%	0.531	62%	0.618	S	S	.	*	H	α-helix	trans	-75.6	-37	178.2	130.8	0	0	0	0	111.5	T15 A22	T15-S18 PolarHBondContact O-N 3.5Å; S18-A22 PolarHBondContact O-N 3.44Å
19	W	33.7	Very low	36.7	Very low	195 Å²	195	113.1 Å²	113.1	74%	0.739	61%	0.613	S	S	*	*	H	α-helix	trans	-77	-32.6	-179	-75.4	86	0	0	0	113.2	A22 A23	W19-A22 PolarHBondContact O-N 3.38Å; W19-A23 WeakPolarHBondContact O-CB 3.36Å; W19-A23 PolarHBondContact O-N 3.38Å
20	T	44.5	Very low	37.2	Very low	63 Å²	63	115.4 Å²	115.4	39%	0.387	61%	0.614	S	S	.	*	H	α-helix	trans	-72.9	-30.9	175.7	54.3	0	0	0	0	112.4	F16 L17 I24	F16-T20 PolarHBondContact O-OG1 3.26Å; L17-T20 PolarHBondContact O-OG1 3.39Å; T20-I24 WeakPolarHBondContact O-CD1 3.33Å; T20-I24 VanDerWaalsContact O-CG1 3.25Å; T20-I24 WeakPolarHBondContact O-CG1 3.2Å; T20-I24 PolarHBondContact O-N 3.45Å; T20-I24 VanDerWaalsContact O-N 3.17Å
21	H	43.3	Very low	38	Very low	149 Å²	149	111 Å²	111	69%	0.69	60%	0.601	S	S	*	*	H	α-helix	trans	-70.1	-35.8	173.4	-125.8	-80.1	0	0	0	112.5	L17 S25	L17-H21 PolarHBondContact O-N 3.31Å; H21-S25 WeakPolarHBondContact O-CB 3.47Å; H21-S25 PolarHBondContact O-N 3.16Å
22	A	42.8	Very low	38.3	Very low	58 Å²	58	111.7 Å²	111.7	48%	0.479	61%	0.605	S	S	.	*	H	α-helix	trans	-71.9	-38.8	176.3	0	0	0	0	0	112.5	S18 W19 I24 S25 W26	S18-A22 PolarHBondContact O-N 3.44Å; W19-A22 PolarHBondContact O-N 3.38Å; A22-I24 VanDerWaalsContact C-N 3.35Å; A22-I24 PolarHBondContact O-N 2.98Å; A22-S25 PolarHBondContact O-N 3.35Å; A22-W26 PolarHBondContact O-N 3.2Å; A22-W26 VanDerWaalsContact O-N 3.16Å
23	A	40.4	Very low	38.8	Very low	50 Å²	50	117.1 Å²	117.1	41%	0.413	62%	0.624	S	S	.	*	H	α-helix	trans	-73.8	-21.5	178	0	0	0	0	0	113.8	W19	W19-A23 WeakPolarHBondContact O-CB 3.36Å; W19-A23 PolarHBondContact O-N 3.38Å
24	I	43.4	Very low	39.1	Very low	109 Å²	109	117.7 Å²	117.7	56%	0.559	63%	0.625	S	S	*	*	H	α-helix	trans	-85.7	-28.4	172.5	-65.4	166.9	0	0	0	110.6	T20 A22 L28	T20-I24 WeakPolarHBondContact O-CD1 3.33Å; T20-I24 VanDerWaalsContact O-CG1 3.25Å; T20-I24 WeakPolarHBondContact O-CG1 3.2Å; T20-I24 PolarHBondContact O-N 3.45Å; T20-I24 VanDerWaalsContact O-N 3.17Å; A22-I24 VanDerWaalsContact C-N 3.35Å; A22-I24 PolarHBondContact O-N 2.98Å; I24-L28 HydrophobicContact CG2-CD1 3.94Å; I24-L28 WeakPolarHBondContact O-CD1 3.47Å
25	S	39.8	Very low	39.2	Very low	69 Å²	69	117.2 Å²	117.2	48%	0.483	63%	0.626	S	S	.	*	H	α-helix	trans	-70.3	-37.5	175.8	-168.3	0	0	0	0	113	H21 A22	H21-S25 WeakPolarHBondContact O-CB 3.47Å; H21-S25 PolarHBondContact O-N 3.16Å; A22-S25 PolarHBondContact O-N 3.35Å
26	W	37.4	Very low	39.7	Very low	152 Å²	152	119.8 Å²	119.8	58%	0.576	64%	0.644	S	S	*	*	H	α-helix	trans	-75.1	-26.5	-176.5	102	-71.7	0	0	0	113.5	A22	A22-W26 PolarHBondContact O-N 3.2Å; A22-W26 VanDerWaalsContact O-N 3.16Å
27	E	33.7	Very low	40.5	Very low	124 Å²	124	122.9 Å²	122.9	58%	0.579	65%	0.651	S	S	*	*	H	α-helix	trans	-86	-19.3	-177.1	-136.8	106.5	-153.7	0	0	112.6
28	L	36.5	Very low	41	Very low	129 Å²	129	122.7 Å²	122.7	68%	0.675	65%	0.649	S	S	*	*	H	α-helix	trans	-87.4	-15.2	179.7	-85.7	162.4	0	0	0	113.9	I24	I24-L28 HydrophobicContact CG2-CD1 3.94Å; I24-L28 WeakPolarHBondContact O-CD1 3.47Å
29	D	39.7	Very low	41.3	Very low	136 Å²	136	128.7 Å²	128.7	73%	0.727	66%	0.66	S	S	*	*	S	Bend	trans	-83.6	-9.6	179.4	-77.3	-24.2	0	0	0	113.6
30	N	39.3	Very low	42.1	Very low	127 Å²	127	124.2 Å²	124.2	68%	0.679	66%	0.656	S	S	*	*	S	Bend	trans	-107.6	5	-172.7	-89.7	-38.1	0	0	0	116.2
31	V	45.9	Very low	42.3	Very low	109 Å²	109	128.9 Å²	128.9	66%	0.661	67%	0.674	S	S	*	*	S	Bend	trans	-136	108.8	177.9	-176.6	0	0	0	0	110.3
32	L	36.4	Very low	42.6	Very low	152 Å²	152	126.8 Å²	126.8	80%	0.796	67%	0.666	S	S	*	*			trans	84.3	99	170.5	-59.4	156.4	0	0	0	116.9	P34	L32-P34 WeakPolarHBondContact O-CD 3.29Å
33	M	39.7	Very low	42.7	Very low	193 Å²	193	132.4 Å²	132.4	95%	0.951	68%	0.675	S	S	*	*			trans	-70.1	124.7	145.5	-78.5	-170.5	171.8	0	0	109.3
34	P	39.6	Very low	43.3	Very low	111 Å²	111	134.9 Å²	134.9	72%	0.721	69%	0.685	S	S	*	*			trans	-140.1	136.9	131.5	32.1	-15.8	0	0	0	114.2	L32	L32-P34 WeakPolarHBondContact O-CD 3.29Å
35	S	40.1	Very low	43.7	Very low	96 Å²	96	135.3 Å²	135.3	67%	0.671	69%	0.688	S	S	*	*			trans	42.6	122.9	148.8	146.3	0	0	0	0	120.8	R37	S35-R37 PolarHBondContact O-N 3.5Å
36	P	47.8	Very low	44.3	Very low	129 Å²	129	135.4 Å²	135.4	84%	0.838	69%	0.686	S	S	*	*	S	Bend	trans	-90.4	89.9	-178.5	36	-29.7	0	0	0	111.4
37	R	50.1	Low	45.1	Very low	231 Å²	231	133.6 Å²	133.6	87%	0.872	68%	0.684	S	S	*	*	S	Bend	trans	-154	-0.7	167.9	-112.2	172.2	-143.7	-150	6.7	117.9	S35	S35-R37 PolarHBondContact O-N 3.5Å
38	I	50	Low	46.2	Very low	118 Å²	118	130.6 Å²	130.6	61%	0.605	68%	0.676	S	S	*	*	S	Bend	trans	-121.7	-2.8	-172.3	-54.5	176.6	0	0	0	113.4	I42	I38-I42 HydrophobicContact CG2-CD1 3.94Å; I38-I42 HydrophobicContact CG2-CG1 4.46Å
39	W	42.8	Very low	47.2	Very low	203 Å²	203	130.5 Å²	130.5	77%	0.769	67%	0.674	S	S	*	*	H	α-helix	trans	-64	-25.3	-174.3	-103.5	51.1	0	0	0	118.5
40	P	50.9	Low	48	Very low	101 Å²	101	131.3 Å²	131.3	66%	0.656	67%	0.671	S	S	*	*	H	α-helix	trans	-73.6	-31.1	-177.2	-17.6	30.3	0	0	0	114.8
41	Q	48.9	Very low	49.1	Very low	161 Å²	161	131.8 Å²	131.8	75%	0.752	67%	0.668	S	S	*	*	H	α-helix	trans	-85.8	-34	-173.9	-80.4	-167.8	-9.6	0	0	113.8	R43	Q41-R43 VanDerWaalsContact C-N 3.34Å; Q41-R43 PolarHBondContact O-N 3.38Å
42	I	49.5	Very low	49.7	Very low	104 Å²	104	136.4 Å²	136.4	53%	0.533	67%	0.673	S	S	.	*	H	α-helix	trans	-70.2	-34.2	-179.2	-62	174.6	0	0	0	110.7	I38 V44 L45 T46	I38-I42 HydrophobicContact CG2-CD1 3.94Å; I38-I42 HydrophobicContact CG2-CG1 4.46Å; I42-V44 VanDerWaalsContact C-N 3.34Å; I42-V44 PolarHBondContact O-N 3.1Å; I42-L45 PolarHBondContact O-N 2.88Å; I42-T46 HydrophobicContact CG2-CG2 4.41Å; I42-T46 WeakPolarHBondContact O-CG2 3.25Å; I42-T46 PolarHBondContact O-N 3.09Å; I42-T46 VanDerWaalsContact O-N 3.09Å; I42-T46 PolarHBondContact O-OG1 3.13Å; I42-T46 VanDerWaalsContact O-OG1 3.1Å
43	R	44.3	Very low	50.9	Low	176 Å²	176	133.8 Å²	133.8	66%	0.664	66%	0.659	S	S	*	*	H	α-helix	trans	-63.9	-35.3	-179.5	-142.2	178.8	-165	-165.6	4.7	113.4	Q41 T46 E47	Q41-R43 VanDerWaalsContact C-N 3.34Å; Q41-R43 PolarHBondContact O-N 3.38Å; R43-T46 WeakPolarHBondContact CA-OG1 3.38Å; R43-T46 PolarHBondContact O-OG1 3.04Å; R43-E47 PolarHBondContact O-N 3.39Å; R43-E47 VanDerWaalsContact O-N 3.13Å
44	V	54.5	Low	51.7	Low	103 Å²	103	133.4 Å²	133.4	62%	0.624	65%	0.647	S	S	*	*	H	α-helix	trans	-74.1	-38.6	-179.3	179	0	0	0	0	111.5	I42 S48	I42-V44 VanDerWaalsContact C-N 3.34Å; I42-V44 PolarHBondContact O-N 3.1Å; V44-S48 PolarHBondContact O-N 3.48Å
45	L	50.4	Low	52.4	Low	118 Å²	118	135.7 Å²	135.7	62%	0.618	65%	0.646	S	S	*	*	H	α-helix	trans	-66.7	-41.6	174.7	-87.4	158.5	0	0	0	111.4	I42 S48 M49	I42-L45 PolarHBondContact O-N 2.88Å; L45-S48 PolarHBondContact O-N 3.09Å; L45-S48 PolarHBondContact O-OG 3.2Å; L45-M49 PolarHBondContact O-N 3.2Å; L45-M49 VanDerWaalsContact O-N 3.13Å
46	T	52.6	Low	53.3	Low	71 Å²	71	138 Å²	138	44%	0.436	64%	0.64	S	S	.	*	H	α-helix	trans	-66.1	-38.4	178	49.9	0	0	0	0	112.9	I42 R43 F50	I42-T46 HydrophobicContact CG2-CG2 4.41Å; I42-T46 WeakPolarHBondContact O-CG2 3.25Å; I42-T46 PolarHBondContact O-N 3.09Å; I42-T46 VanDerWaalsContact O-N 3.09Å; I42-T46 PolarHBondContact O-OG1 3.13Å; I42-T46 VanDerWaalsContact O-OG1 3.1Å; R43-T46 WeakPolarHBondContact CA-OG1 3.38Å; R43-T46 PolarHBondContact O-OG1 3.04Å; T46-F50 VanDerWaalsContact O-CB 3.29Å; T46-F50 WeakPolarHBondContact O-CB 3.43Å; T46-F50 PolarHBondContact O-N 2.84Å
47	E	54.1	Low	53.7	Low	113 Å²	113	134.4 Å²	134.4	53%	0.528	62%	0.616	S	S	.	*	H	α-helix	trans	-65	-42.4	177.5	-94.7	-116.1	170.4	0	0	113	R43 F50 K51	R43-E47 PolarHBondContact O-N 3.39Å; R43-E47 VanDerWaalsContact O-N 3.13Å; E47-F50 PolarHBondContact O-N 3.4Å; E47-K51 WeakPolarHBondContact O-CB 3.4Å; E47-K51 PolarHBondContact O-N 2.88Å; E47-K51 IonicContact OE2-NZ 3.17Å; E47-K51 PolarHBondContact OE2-NZ 3.45Å; E47-K51 VanDerWaalsContact OE2-NZ 3.17Å
48	S	56.9	Low	54.1	Low	61 Å²	61	126.9 Å²	126.9	43%	0.427	60%	0.595	S	S	.	*	H	α-helix	trans	-69.9	-39	-179.8	71.8	0	0	0	0	112.1	V44 L45 R52	V44-S48 PolarHBondContact O-N 3.48Å; L45-S48 PolarHBondContact O-N 3.09Å; L45-S48 PolarHBondContact O-OG 3.2Å; S48-R52 PolarHBondContact O-N 3.41Å; S48-R52 VanDerWaalsContact O-N 3.09Å
49	M	57.1	Low	54.3	Low	128 Å²	128	126 Å²	126	63%	0.631	60%	0.596	S	S	*	*	H	α-helix	trans	-67.3	-44.7	172.3	-90.2	-178.7	58	0	0	111.6	L45 K51 R52 L53	L45-M49 PolarHBondContact O-N 3.2Å; L45-M49 VanDerWaalsContact O-N 3.13Å; M49-K51 VanDerWaalsContact C-N 3.34Å; M49-K51 PolarHBondContact O-N 3.17Å; M49-R52 PolarHBondContact O-N 3.3Å; M49-L53 WeakPolarHBondContact O-CB 3.46Å; M49-L53 PolarHBondContact O-N 3.46Å
50	F	57.2	Low	54.6	Low	152 Å²	152	124.7 Å²	124.7	67%	0.667	59%	0.591	S	S	*	*	H	α-helix	trans	-65.3	-35.2	177.4	-115.1	-96.1	0	0	0	112.4	T46 E47 L53 R54	T46-F50 VanDerWaalsContact O-CB 3.29Å; T46-F50 WeakPolarHBondContact O-CB 3.43Å; T46-F50 PolarHBondContact O-N 2.84Å; E47-F50 PolarHBondContact O-N 3.4Å; F50-L53 PolarHBondContact O-N 3.33Å; F50-R54 WeakPolarHBondContact O-CB 3.27Å; F50-R54 PolarHBondContact O-N 2.76Å
51	K	61.6	Low	54.3	Low	138 Å²	138	127 Å²	127	60%	0.6	59%	0.591	S	S	*	*	H	α-helix	trans	-65	-42	172.3	-88.1	172.7	177.4	149.7	0	111.9	E47 M49 K55	E47-K51 WeakPolarHBondContact O-CB 3.4Å; E47-K51 PolarHBondContact O-N 2.88Å; E47-K51 IonicContact OE2-NZ 3.17Å; E47-K51 PolarHBondContact OE2-NZ 3.45Å; E47-K51 VanDerWaalsContact OE2-NZ 3.17Å; M49-K51 VanDerWaalsContact C-N 3.34Å; M49-K51 PolarHBondContact O-N 3.17Å; K51-K55 VanDerWaalsContact O-CB 3.27Å; K51-K55 WeakPolarHBondContact O-CB 3.1Å; K51-K55 PolarHBondContact O-N 3.04Å
52	R	59.7	Low	54.2	Low	205 Å²	205	127.5 Å²	127.5	77%	0.774	59%	0.591	S	S	*	*	H	α-helix	trans	-66.6	-41.8	174.6	-82.9	-177.9	170.7	-172	-2	112.1	S48 M49 K55 W56	S48-R52 PolarHBondContact O-N 3.41Å; S48-R52 VanDerWaalsContact O-N 3.09Å; M49-R52 PolarHBondContact O-N 3.3Å; R52-K55 PolarHBondContact O-N 3.48Å; R52-W56 VanDerWaalsContact O-CB 3.24Å; R52-W56 WeakPolarHBondContact O-CB 3.37Å; R52-W56 PolarHBondContact O-N 3.42Å
53	L	60.8	Low	53.7	Low	98 Å²	98	125.1 Å²	125.1	51%	0.513	59%	0.591	S	S	.	*	H	α-helix	trans	-67.4	-42.9	178	-142.2	93.3	0	0	0	110.8	M49 F50 W56 V57	M49-L53 WeakPolarHBondContact O-CB 3.46Å; M49-L53 PolarHBondContact O-N 3.46Å; F50-L53 PolarHBondContact O-N 3.33Å; L53-W56 CarbonylContact O-C 3.6Å; L53-W56 PolarHBondContact O-N 3.47Å; L53-V57 VanDerWaalsContact O-CB 3.25Å; L53-V57 WeakPolarHBondContact O-CB 3.23Å; L53-V57 WeakPolarHBondContact O-CG2 3.35Å; L53-V57 PolarHBondContact O-N 2.79Å
54	R	56.8	Low	53.6	Low	184 Å²	184	124.7 Å²	124.7	69%	0.694	60%	0.597	S	S	*	*	H	α-helix	trans	-64.9	-41.7	174.7	-177.6	176.4	163.6	-173	-4.2	111.4	F50 V57 V58	F50-R54 WeakPolarHBondContact O-CB 3.27Å; F50-R54 PolarHBondContact O-N 2.76Å; R54-V57 PolarHBondContact O-N 3.21Å; R54-V58 HydrophobicContact CG-CG2 4.22Å; R54-V58 VanDerWaalsContact O-CB 3.22Å; R54-V58 WeakPolarHBondContact O-CB 3.3Å; R54-V58 WeakPolarHBondContact O-CG2 3.4Å; R54-V58 PolarHBondContact O-N 2.87Å
55	K	54.6	Low	53.2	Low	160 Å²	160	122.3 Å²	122.3	70%	0.696	58%	0.584	S	S	*	*	H	α-helix	trans	-61.4	-47.5	173.6	-158.5	173.5	-173.1	-179.9	0	109.7	K51 R52 V58 T59	K51-K55 VanDerWaalsContact O-CB 3.27Å; K51-K55 WeakPolarHBondContact O-CB 3.1Å; K51-K55 PolarHBondContact O-N 3.04Å; R52-K55 PolarHBondContact O-N 3.48Å; K55-V58 PolarHBondContact O-N 3.44Å; K55-T59 PolarHBondContact O-N 3.1Å; K55-T59 PolarHBondContact O-OG1 3.47Å
56	W	58.3	Low	53	Low	143 Å²	143	127.7 Å²	127.7	54%	0.542	60%	0.596	S	S	.	*	H	α-helix	trans	-63.4	-42.1	177.9	-173.4	87.1	0	0	0	113.5	R52 L53 R60	R52-W56 VanDerWaalsContact O-CB 3.24Å; R52-W56 WeakPolarHBondContact O-CB 3.37Å; R52-W56 PolarHBondContact O-N 3.42Å; L53-W56 CarbonylContact O-C 3.6Å; L53-W56 PolarHBondContact O-N 3.47Å; W56-R60 WeakPolarHBondContact O-CB 3.39Å; W56-R60 PolarHBondContact O-N 2.93Å
57	V	56.7	Low	53.2	Low	55 Å²	55	132.7 Å²	132.7	33%	0.333	62%	0.615	S	S	.	*	H	α-helix	trans	-69.6	-40.4	177.2	169.5	0	0	0	0	110.8	L53 R54 R60 F61	L53-V57 VanDerWaalsContact O-CB 3.25Å; L53-V57 WeakPolarHBondContact O-CB 3.23Å; L53-V57 WeakPolarHBondContact O-CG2 3.35Å; L53-V57 PolarHBondContact O-N 2.79Å; R54-V57 PolarHBondContact O-N 3.21Å; V57-R60 PolarHBondContact O-N 3.16Å; V57-F61 HydrophobicContact CG1-CD2 3.82Å; V57-F61 HydrophobicContact CG1-CE2 4.43Å; V57-F61 VanDerWaalsContact O-CB 3.31Å; V57-F61 WeakPolarHBondContact O-CB 3.24Å; V57-F61 PolarHBondContact O-N 3.31Å
58	V	57.4	Low	53.8	Low	72 Å²	72	131.8 Å²	131.8	44%	0.436	61%	0.607	S	S	.	*	H	α-helix	trans	-66.4	-42.5	174.8	171.5	0	0	0	0	110.7	R54 K55 R60 F62 G63	R54-V58 HydrophobicContact CG-CG2 4.22Å; R54-V58 VanDerWaalsContact O-CB 3.22Å; R54-V58 WeakPolarHBondContact O-CB 3.3Å; R54-V58 WeakPolarHBondContact O-CG2 3.4Å; R54-V58 PolarHBondContact O-N 2.87Å; K55-V58 PolarHBondContact O-N 3.44Å; V58-R60 VanDerWaalsContact C-N 3.31Å; V58-R60 PolarHBondContact O-N 3.5Å; V58-F62 HydrophobicContact CG1-CB 4.31Å; V58-F62 CarbonylContact O-C 3.54Å; V58-F62 VanDerWaalsContact O-CA 3.31Å; V58-F62 WeakPolarHBondContact O-CA 3.22Å; V58-F62 VanDerWaalsContact O-CB 3.25Å; V58-F62 WeakPolarHBondContact O-CB 3.32Å; V58-F62 PolarHBondContact O-N 3.4Å; V58-G63 PolarHBondContact O-N 2.81Å
59	T	54.8	Low	54.5	Low	101 Å²	101	133.8 Å²	133.8	62%	0.62	63%	0.627	S	S	*	*	H	α-helix	trans	-66.2	-33.2	175.1	-34	0	0	0	0	112.3	K55 G63	K55-T59 PolarHBondContact O-N 3.1Å; K55-T59 PolarHBondContact O-OG1 3.47Å; T59-G63 WeakPolarHBondContact O-CA 3.16Å; T59-G63 PolarHBondContact O-N 2.81Å
60	R	49.9	Very low	55.9	Low	175 Å²	175	130.4 Å²	130.4	66%	0.66	61%	0.607	S	S	*	*	H	α-helix	trans	-88.7	-29.5	-174.8	-167.5	168.8	177.6	134.6	-2	114.4	W56 V57 V58	W56-R60 WeakPolarHBondContact O-CB 3.39Å; W56-R60 PolarHBondContact O-N 2.93Å; V57-R60 PolarHBondContact O-N 3.16Å; V58-R60 VanDerWaalsContact C-N 3.31Å; V58-R60 PolarHBondContact O-N 3.5Å
61	F	45	Very low	57.3	Low	149 Å²	149	125 Å²	125	65%	0.654	59%	0.585	S	S	*	*	H	α-helix	trans	-103.3	-32.7	178.7	-78.9	-88.7	0	0	0	113.5	V57	V57-F61 HydrophobicContact CG1-CD2 3.82Å; V57-F61 HydrophobicContact CG1-CE2 4.43Å; V57-F61 VanDerWaalsContact O-CB 3.31Å; V57-F61 WeakPolarHBondContact O-CB 3.24Å; V57-F61 PolarHBondContact O-N 3.31Å
62	F	45.4	Very low	58.8	Low	172 Å²	172	118.8 Å²	118.8	75%	0.754	56%	0.558	S	S	*	*	S	Bend	trans	-100.4	2.3	175.6	-84.1	-85.7	0	0	0	113.8	V58 H64	V58-F62 HydrophobicContact CG1-CB 4.31Å; V58-F62 CarbonylContact O-C 3.54Å; V58-F62 VanDerWaalsContact O-CA 3.31Å; V58-F62 WeakPolarHBondContact O-CA 3.22Å; V58-F62 VanDerWaalsContact O-CB 3.25Å; V58-F62 WeakPolarHBondContact O-CB 3.32Å; V58-F62 PolarHBondContact O-N 3.4Å; F62-H64 PolarHBondContact O-N 3.39Å
63	G	39.3	Very low	60.2	Low	53 Å²	53	111 Å²	111	55%	0.546	54%	0.536	S	S	.	.			trans	-71	40.5	161.9	0	0	0	0	0	112.8	V58 T59 S65	V58-G63 PolarHBondContact O-N 2.81Å; T59-G63 WeakPolarHBondContact O-CA 3.16Å; T59-G63 PolarHBondContact O-N 2.81Å; G63-S65 PolarHBondContact O-N 2.87Å
64	H	41.4	Very low	61.5	Low	168 Å²	168	108.7 Å²	108.7	78%	0.778	52%	0.521	S	S	*	.			trans	-66.1	99.6	150.3	-94.1	52.9	0	0	0	104.4	F62 R66	F62-H64 PolarHBondContact O-N 3.39Å; H64-R66 PolarHBondContact O-N 3.19Å
65	S	47.3	Very low	62.8	Low	52 Å²	52	106.1 Å²	106.1	36%	0.364	52%	0.522	S	S	.	.			trans	-42	113.9	158.2	161.1	0	0	0	0	104.6	G63 Q67 E346	G63-S65 PolarHBondContact O-N 2.87Å; S65-Q67 PolarHBondContact O-N 3Å; S65-E346 PolarHBondContact OG-OE1 3.38Å; S65-E346 VanDerWaalsContact OG-OE1 3.14Å; S65-E346 PolarHBondContact OG-OE2 3.46Å
66	R	44.9	Very low	64.3	Low	231 Å²	231	99 Å²	99	87%	0.872	49%	0.494	S	S	*	.			trans	-64.3	86.4	172.6	-170.8	179.3	-177.3	-180	0.1	102.8	H64 R68	H64-R66 PolarHBondContact O-N 3.19Å; R66-R68 VanDerWaalsContact C-N 3.33Å; R66-R68 PolarHBondContact O-N 3.45Å
67	Q	57.3	Low	65.6	Low	177 Å²	177	100.4 Å²	100.4	83%	0.827	50%	0.499	S	S	*	.			trans	-54.6	104.9	-172.6	-83.3	-168.5	-10.5	0	0	105.7	S65 A69	S65-Q67 PolarHBondContact O-N 3Å; Q67-A69 PolarHBondContact O-N 3.44Å
68	R	67.6	Low	66.9	Low	94 Å²	94	101 Å²	101	36%	0.355	51%	0.505	S	S	.	.			trans	-60.1	137.6	-175.3	-66.5	-171.2	-175.9	179	6	107.1	R66 R70 I316 Q317 Q318 D319	R66-R68 VanDerWaalsContact C-N 3.33Å; R66-R68 PolarHBondContact O-N 3.45Å; R68-R70 PolarHBondContact O-N 3.37Å; R68-R70 VanDerWaalsContact O-N 3.12Å; R68-I316 PolarHBondContact NH2-O 3.28Å; R68-Q317 PolarHBondContact NH2-O 3.47Å; R68-Q318 PolarHBondContact NH1-O 3.02Å; R68-D319 WeakPolarHBondContact CD-OD1 3.39Å; R68-D319 IonicContact CZ-OD1 2.69Å; R68-D319 IonicContact NE-OD1 3Å; R68-D319 IonicContact NH1-OD1 3.97Å; R68-D319 PolarHBondContact NH1-OD1 2.76Å
69	A	70.6	Confident	68.2	Low	103 Å²	103	102.9 Å²	102.9	85%	0.851	51%	0.512	S	S	*	.			trans	-56.7	123	177.2	0	0	0	0	0	108	Q67	Q67-A69 PolarHBondContact O-N 3.44Å
70	R	86.4	Confident	69.4	Low	56 Å²	56	102.1 Å²	102.1	21%	0.211	50%	0.503	C	S	.	.			trans	-104.9	131.8	-177.7	172.7	-174.7	-76.9	-179.9	-7.2	108.9	R68 V72 N79 E321 S342 E347	R68-R70 PolarHBondContact O-N 3.37Å; R68-R70 VanDerWaalsContact O-N 3.12Å; R70-V72 WeakPolarHBondContact CD-O 3.12Å; R70-V72 WeakPolarHBondContact CG-O 3.25Å; R70-N79 WeakPolarHBondContact O-CB 3.43Å; R70-N79 PolarHBondContact O-ND2 3.44Å; R70-E321 VanDerWaalsContact CG-OE1 3.32Å; R70-E321 WeakPolarHBondContact CG-OE1 3.24Å; R70-S342 WeakPolarHBondContact CD-OG 3.45Å; R70-S342 PolarHBondContact NE-OG 3.16Å; R70-E347 IonicContact CZ-OE1 2.81Å; R70-E347 IonicContact NH1-OE1 2.63Å; R70-E347 IonicContact NH2-OE1 3.09Å; R70-E347 PolarHBondContact NH2-OE1 3.44Å; R70-E347 IonicContact NH2-OE2 3.95Å; R70-E347 PolarHBondContact NH2-OE2 2.73Å
71	L	88.3	Confident	70.6	Confident	38 Å²	38	102.6 Å²	102.6	20%	0.199	51%	0.513	C	S	.	.	S	Bend	trans	-74.2	-42.2	178.2	-169.9	72.4	0	0	0	111.6	C78 N79 I80 L260 L273 E321	L71-C78 CarbonylContact O-C 3.5Å; L71-C78 WeakPolarHBondContact O-CA 3.25Å; L71-N79 PolarHBondContact O-N 3.3Å; L71-I80 HydrophobicContact CD1-CD1 3.78Å; L71-I80 HydrophobicContact CD1-CG1 3.47Å; L71-I80 VanDerWaalsContact CD1-CG1 3.47Å; L71-I80 HydrophobicContact CG-CD1 4.34Å; L71-I80 HydrophobicContact CG-CG1 4.32Å; L71-L260 HydrophobicContact CB-CD1 4.21Å; L71-L260 HydrophobicContact CD2-CD1 3.44Å; L71-L260 VanDerWaalsContact CD2-CD1 3.44Å; L71-L260 HydrophobicContact CG-CD1 4.44Å; L71-L273 HydrophobicContact CD1-CD1 4.1Å; L71-L273 HydrophobicContact CD2-CD1 4.36Å; L71-L273 HydrophobicContact CD2-CD2 4.49Å; L71-E321 WeakPolarHBondContact CB-OE2 3.31Å; L71-E321 PolarHBondContact N-OE2 3.49Å
72	V	91.4	Very high	71.9	Confident	8 Å²	8	103.7 Å²	103.7	5%	0.048	52%	0.518	C	S	.	.	B	Isolated β-bridge	trans	-122.9	117.7	-179.1	179.5	0	0	0	0	109	R70 R77 E321 V323 S342	R70-V72 WeakPolarHBondContact CD-O 3.12Å; R70-V72 WeakPolarHBondContact CG-O 3.25Å; V72-R77 CarbonylContact C-O 3.4Å; V72-R77 WeakPolarHBondContact CA-O 3.34Å; V72-E321 PolarHBondContact N-OE1 2.84Å; V72-V323 HydrophobicContact CB-CG1 4.32Å; V72-V323 HydrophobicContact CB-CG2 4.3Å; V72-V323 HydrophobicContact CG1-CG1 4.35Å; V72-V323 HydrophobicContact CG2-CG1 4.09Å; V72-V323 HydrophobicContact CG2-CG2 4.06Å; V72-S342 WeakPolarHBondContact O-CB 3.28Å; V72-S342 PolarHBondContact O-OG 3.14Å
73	S	89.6	Confident	72.8	Confident	43 Å²	43	98.7 Å²	98.7	30%	0.301	52%	0.515	S	S	.	.			trans	-59.5	160	175.3	-178.1	0	0	0	0	112.5	D75 G76 R77	S73-D75 PolarHBondContact O-N 3.38Å; S73-D75 VanDerWaalsContact O-N 3.1Å; S73-G76 WeakPolarHBondContact O-CA 3.22Å; S73-G76 PolarHBondContact O-N 2.9Å; S73-R77 PolarHBondContact N-O 3.42Å
74	K	89	Confident	73.8	Confident	48 Å²	48	104 Å²	104	21%	0.209	53%	0.531	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-30.5	171.5	-80	-61.6	-177.6	-175.7	0	113.1	G76 K225 T341 S342 E347	K74-G76 PolarHBondContact O-N 2.9Å; K74-K225 WeakPolarHBondContact CE-O 3.2Å; K74-K225 PolarHBondContact NZ-O 2.94Å; K74-T341 PolarHBondContact O-OG1 3.41Å; K74-S342 VanDerWaalsContact CD-O 3.3Å; K74-S342 WeakPolarHBondContact CD-O 3.34Å; K74-S342 VanDerWaalsContact CE-O 3.25Å; K74-S342 WeakPolarHBondContact CE-O 3.26Å; K74-S342 PolarHBondContact NZ-O 2.85Å; K74-E347 WeakPolarHBondContact CE-OE1 3.41Å; K74-E347 WeakPolarHBondContact CE-OE2 3.38Å; K74-E347 IonicContact NZ-OE1 2.69Å; K74-E347 IonicContact NZ-OE2 3.55Å; K74-E347 PolarHBondContact NZ-OE2 3.38Å
75	D	84.3	Confident	74.8	Confident	131 Å²	131	100 Å²	100	70%	0.701	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	2.9	176.8	-63.3	-31	0	0	0	113.4	S73	S73-D75 PolarHBondContact O-N 3.38Å; S73-D75 VanDerWaalsContact O-N 3.1Å
76	G	84.6	Confident	75.4	Confident	10 Å²	10	104.2 Å²	104.2	10%	0.103	53%	0.532	C	S	.	.	S	Bend	trans	80	11.5	178.7	0	0	0	0	0	115.5	S73 K74 R340	S73-G76 WeakPolarHBondContact O-CA 3.22Å; S73-G76 PolarHBondContact O-N 2.9Å; K74-G76 PolarHBondContact O-N 2.9Å; G76-R340 WeakPolarHBondContact CA-O 3.32Å; G76-R340 PolarHBondContact N-O 3.37Å
77	R	85.3	Confident	76	Confident	172 Å²	172	96 Å²	96	65%	0.649	51%	0.514	S	S	*	.			trans	-81.2	131.4	174.6	-61.3	-174.2	-170.4	175.8	8.7	110.3	V72 S73	V72-R77 CarbonylContact C-O 3.4Å; V72-R77 WeakPolarHBondContact CA-O 3.34Å; S73-R77 PolarHBondContact N-O 3.42Å
78	C	85.8	Confident	76	Confident	69 Å²	69	94.4 Å²	94.4	47%	0.466	51%	0.506	S	S	.	.	B	Isolated β-bridge	trans	-77.7	130.6	172.5	-51.9	0	0	0	0	109.7	L71 I80	L71-C78 CarbonylContact O-C 3.5Å; L71-C78 WeakPolarHBondContact O-CA 3.25Å; C78-I80 HydrophobicContact CB-CD1 4.36Å; C78-I80 HydrophobicContact CB-CG1 4.48Å
79	N	83.8	Confident	75.5	Confident	111 Å²	111	91.1 Å²	91.1	59%	0.594	50%	0.498	S	S	*	.			trans	-102.6	65.5	177.6	-169.3	37.2	0	0	0	108.9	R70 L71	R70-N79 WeakPolarHBondContact O-CB 3.43Å; R70-N79 PolarHBondContact O-ND2 3.44Å; L71-N79 PolarHBondContact O-N 3.3Å
80	I	80.6	Confident	75.1	Confident	84 Å²	84	94.3 Å²	94.3	43%	0.431	49%	0.488	S	S	.	.			trans	-119.7	125.6	180	-59.4	170.7	0	0	0	107.2	L71 C78 F82	L71-I80 HydrophobicContact CD1-CD1 3.78Å; L71-I80 HydrophobicContact CD1-CG1 3.47Å; L71-I80 VanDerWaalsContact CD1-CG1 3.47Å; L71-I80 HydrophobicContact CG-CD1 4.34Å; L71-I80 HydrophobicContact CG-CG1 4.32Å; C78-I80 HydrophobicContact CB-CD1 4.36Å; C78-I80 HydrophobicContact CB-CG1 4.48Å; I80-F82 HydrophobicContact CG2-CD1 4.49Å; I80-F82 HydrophobicContact CG2-CE1 4.28Å; I80-F82 HydrophobicContact CG2-CZ 4.28Å
81	E	73.9	Confident	74	Confident	185 Å²	185	98.9 Å²	98.9	86%	0.864	51%	0.51	S	S	*	.			trans	-101.3	120.6	168.3	-66.1	-175.1	172.8	0	0	108	G83	E81-G83 PolarHBondContact O-N 2.82Å
82	F	72.8	Confident	72.8	Confident	172 Å²	172	102.4 Å²	102.4	75%	0.754	53%	0.527	S	S	*	.			trans	-80.3	110.8	176.6	-63.7	-81.6	0	0	0	109	I80 V85	I80-F82 HydrophobicContact CG2-CD1 4.49Å; I80-F82 HydrophobicContact CG2-CE1 4.28Å; I80-F82 HydrophobicContact CG2-CZ 4.28Å; F82-V85 HydrophobicContact CB-CG2 3.73Å
83	G	63.8	Low	71.5	Confident	68 Å²	68	108.2 Å²	108.2	70%	0.701	55%	0.552	S	S	*	*			trans	-82.4	143.1	174.5	0	0	0	0	0	112.3	E81 V85	E81-G83 PolarHBondContact O-N 2.82Å; G83-V85 VanDerWaalsContact C-N 3.34Å; G83-V85 PolarHBondContact O-N 3.4Å
84	N	60	Low	70.4	Confident	163 Å²	163	113.3 Å²	113.3	87%	0.872	57%	0.569	S	S	*	*			trans	47.2	44.9	170.9	-154.5	33.6	0	0	0	115.8	E86	N84-E86 PolarHBondContact O-N 2.7Å
85	V	62.8	Low	69.6	Low	85 Å²	85	117.3 Å²	117.3	52%	0.515	60%	0.597	S	S	.	*			trans	-72.5	112.8	167.3	-165.2	0	0	0	0	107.1	F82 G83 S89	F82-V85 HydrophobicContact CB-CG2 3.73Å; G83-V85 VanDerWaalsContact C-N 3.34Å; G83-V85 PolarHBondContact O-N 3.4Å; V85-S89 VanDerWaalsContact CG1-OG 3.26Å; V85-S89 WeakPolarHBondContact CG1-OG 3.25Å
86	E	60.9	Low	69.5	Low	141 Å²	141	114.4 Å²	114.4	66%	0.659	58%	0.582	S	S	*	*			trans	-46.7	147.6	-179.6	-83.3	174.2	152.7	0	0	111.7	N84 Q88 S89	N84-E86 PolarHBondContact O-N 2.7Å; E86-Q88 PolarHBondContact O-N 3.16Å; E86-S89 WeakPolarHBondContact O-CB 3.43Å; E86-S89 PolarHBondContact O-N 3.24Å; E86-S89 PolarHBondContact O-OG 2.83Å
87	A	57.2	Low	69.4	Low	58 Å²	58	118.8 Å²	118.8	48%	0.479	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.4	-19.7	-176.6	0	0	0	0	0	113.6	S89 R90	A87-S89 PolarHBondContact O-N 2.75Å; A87-R90 PolarHBondContact O-N 3.3Å; A87-R90 VanDerWaalsContact O-N 3.12Å
88	Q	56.5	Low	69.3	Low	143 Å²	143	115.8 Å²	115.8	67%	0.668	59%	0.59	S	S	*	*	H	α-helix	trans	-57.6	-28	171.7	-162.7	165.3	-15.8	0	0	113.3	E86 R90 F91 I92	E86-Q88 PolarHBondContact O-N 3.16Å; Q88-R90 VanDerWaalsContact C-N 3.34Å; Q88-R90 PolarHBondContact O-N 3.28Å; Q88-F91 PolarHBondContact O-N 3Å; Q88-I92 PolarHBondContact O-N 3.19Å
89	S	59	Low	69.2	Low	25 Å²	25	114.9 Å²	114.9	18%	0.175	58%	0.583	C	S	.	*	H	α-helix	trans	-65.3	-32.2	174.2	61.3	0	0	0	0	114	V85 E86 A87 F91 I92 F93	V85-S89 VanDerWaalsContact CG1-OG 3.26Å; V85-S89 WeakPolarHBondContact CG1-OG 3.25Å; E86-S89 WeakPolarHBondContact O-CB 3.43Å; E86-S89 PolarHBondContact O-N 3.24Å; E86-S89 PolarHBondContact O-OG 2.83Å; A87-S89 PolarHBondContact O-N 2.75Å; S89-F91 VanDerWaalsContact C-N 3.3Å; S89-F91 PolarHBondContact O-N 3.02Å; S89-I92 PolarHBondContact O-N 2.96Å; S89-F93 WeakPolarHBondContact O-CD2 3.49Å; S89-F93 WeakPolarHBondContact O-CE2 3.24Å; S89-F93 PolarHBondContact O-N 3.01Å
90	R	60.3	Low	69.3	Low	171 Å²	171	111.9 Å²	111.9	65%	0.645	57%	0.569	S	S	*	*	H	α-helix	trans	-64.4	-37	176.8	-74.2	-171.4	-88.5	172.1	-6.7	111.6	A87 Q88 F93 F94	A87-R90 PolarHBondContact O-N 3.3Å; A87-R90 VanDerWaalsContact O-N 3.12Å; Q88-R90 VanDerWaalsContact C-N 3.34Å; Q88-R90 PolarHBondContact O-N 3.28Å; R90-F93 PolarHBondContact O-N 2.89Å; R90-F94 WeakPolarHBondContact O-CD2 3.1Å
91	F	63.3	Low	69.6	Low	152 Å²	152	108.9 Å²	108.9	67%	0.667	55%	0.554	S	S	*	*	H	α-helix	trans	-68	-36.1	174.9	-78.4	-81.5	0	0	0	112.7	Q88 S89 F93 F94 V95	Q88-F91 PolarHBondContact O-N 3Å; S89-F91 VanDerWaalsContact C-N 3.3Å; S89-F91 PolarHBondContact O-N 3.02Å; F91-F93 VanDerWaalsContact C-N 3.27Å; F91-F93 PolarHBondContact O-N 3.1Å; F91-F94 PolarHBondContact O-N 3.48Å; F91-V95 WeakPolarHBondContact O-CG2 3.48Å; F91-V95 PolarHBondContact O-N 3.02Å
92	I	64.6	Low	70.1	Confident	111 Å²	111	100.4 Å²	100.4	57%	0.569	52%	0.515	S	S	*	.	H	α-helix	trans	-59.6	-39	176.2	-63.8	171.1	0	0	0	111.2	Q88 S89 F94 V95 D96	Q88-I92 PolarHBondContact O-N 3.19Å; S89-I92 PolarHBondContact O-N 2.96Å; I92-F94 VanDerWaalsContact C-N 3.29Å; I92-F94 PolarHBondContact O-N 2.05Å; I92-V95 PolarHBondContact O-N 3.32Å; I92-D96 PolarHBondContact O-N 3.35Å; I92-D96 VanDerWaalsContact O-N 3.09Å
93	F	62.8	Low	70.7	Confident	130 Å²	130	95.9 Å²	95.9	57%	0.57	50%	0.498	S	S	*	.	H	α-helix	trans	-65.4	-28.8	175.2	-66.5	-69.4	0	0	0	113.6	S89 R90 F91 D96 T100	S89-F93 WeakPolarHBondContact O-CD2 3.49Å; S89-F93 WeakPolarHBondContact O-CE2 3.24Å; S89-F93 PolarHBondContact O-N 3.01Å; R90-F93 PolarHBondContact O-N 2.89Å; F91-F93 VanDerWaalsContact C-N 3.27Å; F91-F93 PolarHBondContact O-N 3.1Å; F93-D96 CarbonylContact O-C 3.52Å; F93-T100 PolarHBondContact O-OG1 2.84Å; F93-T100 VanDerWaalsContact O-OG1 3.08Å
94	F	66.7	Low	71.8	Confident	150 Å²	150	95 Å²	95	66%	0.658	48%	0.477	S	S	*	.	H	α-helix	trans	-78	-33.1	174.5	-72.8	-71.8	0	0	0	112.6	R90 F91 I92 D96	R90-F94 WeakPolarHBondContact O-CD2 3.1Å; F91-F94 PolarHBondContact O-N 3.48Å; I92-F94 VanDerWaalsContact C-N 3.29Å; I92-F94 PolarHBondContact O-N 2.05Å; F94-D96 VanDerWaalsContact C-N 3.26Å; F94-D96 PolarHBondContact O-N 3.46Å
95	V	73.6	Confident	73.2	Confident	133 Å²	133	94.5 Å²	94.5	81%	0.806	47%	0.467	S	S	*	.	H	α-helix	trans	-64.5	-35.3	172.9	176	0	0	0	0	110.5	F91 I92 I97	F91-V95 WeakPolarHBondContact O-CG2 3.48Å; F91-V95 PolarHBondContact O-N 3.02Å; I92-V95 PolarHBondContact O-N 3.32Å; V95-I97 PolarHBondContact O-N 3.16Å
96	D	81	Confident	74.5	Confident	70 Å²	70	95 Å²	95	37%	0.374	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	59.9	173.3	-164	0	0	0	0	112.9	I92 F93 F94 W98 T99 T100	I92-D96 PolarHBondContact O-N 3.35Å; I92-D96 VanDerWaalsContact O-N 3.09Å; F93-D96 CarbonylContact O-C 3.52Å; F94-D96 VanDerWaalsContact C-N 3.26Å; F94-D96 PolarHBondContact O-N 3.46Å; D96-W98 PolarHBondContact O-N 2.98Å; D96-T99 WeakPolarHBondContact OD1-CB 3.4Å; D96-T99 VanDerWaalsContact OD1-CG2 3.24Å; D96-T99 WeakPolarHBondContact OD1-CG2 3.46Å; D96-T99 PolarHBondContact OD1-N 3.48Å; D96-T99 PolarHBondContact OD1-OG1 3.48Å; D96-T99 VanDerWaalsContact OD1-OG1 3.07Å; D96-T99 WeakPolarHBondContact OD2-CB 3.43Å; D96-T99 WeakPolarHBondContact OD2-CG2 3.44Å; D96-T99 PolarHBondContact OD2-OG1 3.09Å; D96-T100 WeakPolarHBondContact O-CB 3.42Å; D96-T100 PolarHBondContact O-N 3.33Å; D96-T100 PolarHBondContact O-OG1 3.09Å
97	I	81.9	Confident	76	Confident	101 Å²	101	98.4 Å²	98.4	52%	0.518	47%	0.467	S	S	.	.	H	α-helix	trans	-60	-35.2	-179.2	-121.1	166.5	0	0	0	111.7	V95 V101	V95-I97 PolarHBondContact O-N 3.16Å; I97-V101 WeakPolarHBondContact O-CB 3.4Å; I97-V101 VanDerWaalsContact O-CG2 3.23Å; I97-V101 WeakPolarHBondContact O-CG2 3.4Å; I97-V101 PolarHBondContact O-N 3.28Å
98	W	83.9	Confident	77.6	Confident	109 Å²	109	102.3 Å²	102.3	41%	0.413	47%	0.47	S	S	.	.	H	α-helix	trans	-68.9	-51.8	-175.8	175.9	-111.3	0	0	0	111.6	D96 T100 V101 L102 F202 A206 A209	D96-W98 PolarHBondContact O-N 2.98Å; W98-T100 VanDerWaalsContact C-N 3.28Å; W98-T100 PolarHBondContact O-N 2.85Å; W98-V101 PolarHBondContact O-N 2.91Å; W98-L102 HydrophobicContact CD2-CD1 4.28Å; W98-L102 HydrophobicContact CD2-CG 4.39Å; W98-L102 HydrophobicContact CH2-CD2 4.43Å; W98-L102 HydrophobicContact CZ2-CD1 3.95Å; W98-L102 HydrophobicContact CZ2-CD2 4.23Å; W98-L102 HydrophobicContact CZ2-CG 4.34Å; W98-L102 VanDerWaalsContact O-CG 3.32Å; W98-L102 WeakPolarHBondContact O-CG 3.46Å; W98-L102 PolarHBondContact O-N 2.86Å; W98-F202 AromaticContact CE3-CE2 3.69Å; W98-F202 HydrophobicContact CE3-CE2 3.69Å; W98-F202 HydrophobicContact CE3-CZ 4.07Å; W98-F202 HydrophobicContact CZ3-CD2 4.24Å; W98-F202 AromaticContact CZ3-CE2 3.7Å; W98-F202 HydrophobicContact CZ3-CE2 3.7Å; W98-F202 HydrophobicContact CZ3-CZ 4.19Å; W98-A206 HydrophobicContact CH2-CB 4.45Å; W98-A206 HydrophobicContact CZ3-CB 4.16Å; W98-A209 HydrophobicContact CH2-CB 4.47Å; W98-A209 HydrophobicContact CZ2-CB 4.15Å
99	T	84.4	Confident	79.3	Confident	51 Å²	51	95.6 Å²	95.6	31%	0.313	44%	0.439	S	S	.	.	H	α-helix	trans	-66.1	-36.6	179.2	70.2	0	0	0	0	111.1	D96 L102 D103	D96-T99 WeakPolarHBondContact OD1-CB 3.4Å; D96-T99 VanDerWaalsContact OD1-CG2 3.24Å; D96-T99 WeakPolarHBondContact OD1-CG2 3.46Å; D96-T99 PolarHBondContact OD1-N 3.48Å; D96-T99 PolarHBondContact OD1-OG1 3.48Å; D96-T99 VanDerWaalsContact OD1-OG1 3.07Å; D96-T99 WeakPolarHBondContact OD2-CB 3.43Å; D96-T99 WeakPolarHBondContact OD2-CG2 3.44Å; D96-T99 PolarHBondContact OD2-OG1 3.09Å; T99-L102 CarbonylContact O-C 3.57Å; T99-L102 WeakPolarHBondContact O-CB 3.41Å; T99-L102 PolarHBondContact O-N 3.39Å; T99-L102 VanDerWaalsContact O-N 3.12Å; T99-D103 PolarHBondContact O-N 2.85Å
100	T	86.1	Confident	80.9	Confident	47 Å²	47	97.7 Å²	97.7	29%	0.288	45%	0.447	S	S	.	.	H	α-helix	trans	-58.6	-51.7	176.1	-61.2	0	0	0	0	111.1	F93 D96 W98 L102 D103 L104	F93-T100 PolarHBondContact O-OG1 2.84Å; F93-T100 VanDerWaalsContact O-OG1 3.08Å; D96-T100 WeakPolarHBondContact O-CB 3.42Å; D96-T100 PolarHBondContact O-N 3.33Å; D96-T100 PolarHBondContact O-OG1 3.09Å; W98-T100 VanDerWaalsContact C-N 3.28Å; W98-T100 PolarHBondContact O-N 2.85Å; T100-L102 VanDerWaalsContact C-N 3.26Å; T100-L102 PolarHBondContact O-N 3.28Å; T100-D103 PolarHBondContact O-N 3.09Å; T100-D103 VanDerWaalsContact O-N 3.15Å; T100-L104 WeakPolarHBondContact O-CG 3.5Å; T100-L104 PolarHBondContact O-N 3.37Å
101	V	85.4	Confident	82.4	Confident	21 Å²	21	93.4 Å²	93.4	13%	0.127	44%	0.44	C	S	.	.	H	α-helix	trans	-59.7	-37.4	175.7	169.3	0	0	0	0	111.3	I97 W98 K109 F113 A206	I97-V101 WeakPolarHBondContact O-CB 3.4Å; I97-V101 VanDerWaalsContact O-CG2 3.23Å; I97-V101 WeakPolarHBondContact O-CG2 3.4Å; I97-V101 PolarHBondContact O-N 3.28Å; W98-V101 PolarHBondContact O-N 2.91Å; V101-K109 WeakPolarHBondContact O-CE 3.29Å; V101-K109 PolarHBondContact O-NZ 3.31Å; V101-K109 VanDerWaalsContact O-NZ 3.08Å; V101-F113 HydrophobicContact CG1-CZ 4.46Å; V101-A206 HydrophobicContact CG1-CB 4.23Å
102	L	85.9	Confident	83.8	Confident	8 Å²	8	90.2 Å²	90.2	4%	0.042	43%	0.429	C	S	.	.	H	α-helix	trans	-66.8	-37.3	176.7	-70.2	-177.1	0	0	0	113.2	W98 T99 T100 A209 K210	W98-L102 HydrophobicContact CD2-CD1 4.28Å; W98-L102 HydrophobicContact CD2-CG 4.39Å; W98-L102 HydrophobicContact CH2-CD2 4.43Å; W98-L102 HydrophobicContact CZ2-CD1 3.95Å; W98-L102 HydrophobicContact CZ2-CD2 4.23Å; W98-L102 HydrophobicContact CZ2-CG 4.34Å; W98-L102 VanDerWaalsContact O-CG 3.32Å; W98-L102 WeakPolarHBondContact O-CG 3.46Å; W98-L102 PolarHBondContact O-N 2.86Å; T99-L102 CarbonylContact O-C 3.57Å; T99-L102 WeakPolarHBondContact O-CB 3.41Å; T99-L102 PolarHBondContact O-N 3.39Å; T99-L102 VanDerWaalsContact O-N 3.12Å; T100-L102 VanDerWaalsContact C-N 3.26Å; T100-L102 PolarHBondContact O-N 3.28Å; L102-A209 HydrophobicContact CD1-CB 4.38Å; L102-A209 HydrophobicContact CD2-CB 3.63Å; L102-K210 PolarHBondContact O-NZ 3.12Å
103	D	85.1	Confident	85.2	Confident	76 Å²	76	85.6 Å²	85.6	41%	0.406	41%	0.405	S	S	.	.	H	α-helix	trans	-87.1	-17.8	-175.7	-83.7	-49.1	0	0	0	115.3	T99 T100 R213 K215	T99-D103 PolarHBondContact O-N 2.85Å; T100-D103 PolarHBondContact O-N 3.09Å; T100-D103 VanDerWaalsContact O-N 3.15Å; D103-R213 IonicContact OD1-CZ 2.86Å; D103-R213 IonicContact OD1-NH1 2.81Å; D103-R213 PolarHBondContact OD1-NH1 2.79Å; D103-R213 IonicContact OD2-CZ 3.95Å; D103-R213 IonicContact OD2-NH1 2.76Å; D103-R213 PolarHBondContact OD2-NH1 3.42Å; D103-K215 IonicContact OD1-NZ 3.57Å; D103-K215 PolarHBondContact OD1-NZ 2.88Å
104	L	87.1	Confident	86.7	Confident	50 Å²	50	84.1 Å²	84.1	26%	0.262	40%	0.402	S	S	.	.	S	Bend	trans	-51.2	145.2	171.8	-77.3	174.9	0	0	0	113.1	T100 I112 K210	T100-L104 WeakPolarHBondContact O-CG 3.5Å; T100-L104 PolarHBondContact O-N 3.37Å; L104-I112 HydrophobicContact CD1-CD1 3.45Å; L104-I112 VanDerWaalsContact CD1-CD1 3.45Å; L104-K210 VanDerWaalsContact O-CE 3.22Å; L104-K210 WeakPolarHBondContact O-CE 3.42Å; L104-K210 PolarHBondContact O-NZ 3Å
105	K	89.3	Confident	88	Confident	152 Å²	152	81.1 Å²	81.1	66%	0.661	40%	0.396	S	S	*	.			trans	-61	150.4	172.9	-62.7	-179.4	-176.6	171	0	109.5	R107 Y108 K109	K105-R107 PolarHBondContact O-N 3.21Å; K105-R107 VanDerWaalsContact O-N 3.14Å; K105-Y108 HydrophobicContact CB-CD2 3.88Å; K105-Y108 HydrophobicContact CB-CE2 4.34Å; K105-Y108 HydrophobicContact CD-CE2 4.14Å; K105-Y108 HydrophobicContact CG-CD2 4.4Å; K105-Y108 PolarHBondContact O-N 3.32Å; K105-Y108 VanDerWaalsContact O-N 3.14Å; K105-K109 PolarHBondContact O-N 3.12Å
106	W	90.3	Very high	88.9	Confident	97 Å²	97	77 Å²	77	37%	0.367	38%	0.376	S	S	.	.	H	α-helix	trans	-51.2	-40.6	-179.4	-80.8	109.8	0	0	0	113.4	K109 M110 I207 K210 I211	W106-K109 HydrophobicContact CE3-CD 4.36Å; W106-K109 HydrophobicContact CZ3-CD 4.29Å; W106-K109 PolarHBondContact O-N 2.92Å; W106-M110 HydrophobicContact CE3-CE 3.81Å; W106-M110 HydrophobicContact CZ3-CE 3.69Å; W106-M110 WeakPolarHBondContact O-CB 3.42Å; W106-M110 WeakPolarHBondContact O-CG 3.42Å; W106-M110 PolarHBondContact O-N 3.34Å; W106-I207 HydrophobicContact CH2-CG2 4.29Å; W106-I207 HydrophobicContact CZ3-CG2 4.44Å; W106-K210 HydrophobicContact CD2-CD 4.05Å; W106-K210 HydrophobicContact CE3-CD 4.29Å; W106-K210 HydrophobicContact CH2-CB 4.29Å; W106-K210 HydrophobicContact CH2-CD 4.03Å; W106-K210 HydrophobicContact CH2-CG 4.28Å; W106-K210 HydrophobicContact CZ2-CB 4.32Å; W106-K210 HydrophobicContact CZ2-CD 3.76Å; W106-K210 HydrophobicContact CZ2-CG 3.88Å; W106-K210 HydrophobicContact CZ3-CD 4.28Å; W106-I211 HydrophobicContact CH2-CD1 4.36Å; W106-I211 HydrophobicContact CH2-CG1 3.82Å; W106-I211 HydrophobicContact CZ2-CG1 3.99Å
107	R	91.8	Very high	89.6	Confident	212 Å²	212	75.3 Å²	75.3	80%	0.8	37%	0.365	S	S	*	.	H	α-helix	trans	-57.2	-56.2	178	-64	-177.2	-176.6	167.9	-1	111.5	K105 K109 M110 T111	K105-R107 PolarHBondContact O-N 3.21Å; K105-R107 VanDerWaalsContact O-N 3.14Å; R107-K109 PolarHBondContact O-N 3.12Å; R107-M110 PolarHBondContact O-N 2.78Å; R107-T111 PolarHBondContact O-N 2.76Å; R107-T111 PolarHBondContact O-OG1 3.31Å
108	Y	91.6	Very high	90.2	Very high	139 Å²	139	74.6 Å²	74.6	55%	0.545	36%	0.362	S	S	.	.	H	α-helix	trans	-62.7	-41.2	179.6	-57.9	-55.9	0	0	0	112.6	K105 M110 T111 I112	K105-Y108 HydrophobicContact CB-CD2 3.88Å; K105-Y108 HydrophobicContact CB-CE2 4.34Å; K105-Y108 HydrophobicContact CD-CE2 4.14Å; K105-Y108 HydrophobicContact CG-CD2 4.4Å; K105-Y108 PolarHBondContact O-N 3.32Å; K105-Y108 VanDerWaalsContact O-N 3.14Å; Y108-M110 PolarHBondContact O-N 2.87Å; Y108-T111 PolarHBondContact O-N 3.46Å; Y108-I112 VanDerWaalsContact O-CG1 3.27Å; Y108-I112 WeakPolarHBondContact O-CG1 3.31Å; Y108-I112 PolarHBondContact O-N 2.85Å
109	K	90.8	Very high	90.8	Very high	2 Å²	2	71.3 Å²	71.3	1%	0.009	36%	0.362	C	S	.	.	H	α-helix	trans	-58.1	-50.1	175.9	175.4	175.8	-67.5	-143.5	0	111.9	V101 K105 W106 R107 I112 F113 A206 K210	V101-K109 WeakPolarHBondContact O-CE 3.29Å; V101-K109 PolarHBondContact O-NZ 3.31Å; V101-K109 VanDerWaalsContact O-NZ 3.08Å; K105-K109 PolarHBondContact O-N 3.12Å; W106-K109 HydrophobicContact CE3-CD 4.36Å; W106-K109 HydrophobicContact CZ3-CD 4.29Å; W106-K109 PolarHBondContact O-N 2.92Å; R107-K109 PolarHBondContact O-N 3.12Å; K109-I112 PolarHBondContact O-N 3.43Å; K109-F113 HydrophobicContact CD-CE2 3.99Å; K109-F113 HydrophobicContact CG-CD2 3.8Å; K109-F113 HydrophobicContact CG-CE2 3.48Å; K109-F113 VanDerWaalsContact CG-CE2 3.48Å; K109-F113 WeakPolarHBondContact O-CD2 3.07Å; K109-F113 PolarHBondContact O-N 2.91Å; K109-F113 VanDerWaalsContact O-N 3.1Å; K109-A206 PolarHBondContact NZ-O 2.91Å; K109-K210 HydrophobicContact CD-CD 4.01Å
110	M	92.5	Very high	91.4	Very high	70 Å²	70	69.9 Å²	69.9	35%	0.345	35%	0.354	S	S	.	.	H	α-helix	trans	-65.6	-40.2	179.6	-68.6	-54.3	-171.7	0	0	111.4	W106 R107 Y108 I112 F113 I114 I207	W106-M110 HydrophobicContact CE3-CE 3.81Å; W106-M110 HydrophobicContact CZ3-CE 3.69Å; W106-M110 WeakPolarHBondContact O-CB 3.42Å; W106-M110 WeakPolarHBondContact O-CG 3.42Å; W106-M110 PolarHBondContact O-N 3.34Å; R107-M110 PolarHBondContact O-N 2.78Å; Y108-M110 PolarHBondContact O-N 2.87Å; M110-I112 VanDerWaalsContact C-N 3.35Å; M110-I112 PolarHBondContact O-N 2.83Å; M110-F113 PolarHBondContact O-N 3.11Å; M110-I114 WeakPolarHBondContact O-CB 3.42Å; M110-I114 WeakPolarHBondContact O-CD1 3.31Å; M110-I114 WeakPolarHBondContact O-CG1 3.29Å; M110-I114 PolarHBondContact O-N 3.08Å; M110-I207 HydrophobicContact CE-CD1 4.13Å
111	T	93.1	Very high	91.9	Very high	81 Å²	81	69.9 Å²	69.9	50%	0.497	35%	0.349	S	S	.	.	H	α-helix	trans	-60.5	-42.7	174.9	-56.6	0	0	0	0	112.1	R107 Y108 I114 T115	R107-T111 PolarHBondContact O-N 2.76Å; R107-T111 PolarHBondContact O-OG1 3.31Å; Y108-T111 PolarHBondContact O-N 3.46Å; T111-I114 PolarHBondContact O-N 2.78Å; T111-T115 VanDerWaalsContact O-CB 3.31Å; T111-T115 WeakPolarHBondContact O-CB 3.49Å; T111-T115 PolarHBondContact O-N 2.7Å; T111-T115 PolarHBondContact O-OG1 2.74Å
112	I	91.9	Very high	92.4	Very high	85 Å²	85	74 Å²	74	44%	0.436	37%	0.365	S	S	.	.	H	α-helix	trans	-60.9	-47.3	176.6	-70.9	164.7	0	0	0	110.6	L104 Y108 K109 M110 T115 A116	L104-I112 HydrophobicContact CD1-CD1 3.45Å; L104-I112 VanDerWaalsContact CD1-CD1 3.45Å; Y108-I112 VanDerWaalsContact O-CG1 3.27Å; Y108-I112 WeakPolarHBondContact O-CG1 3.31Å; Y108-I112 PolarHBondContact O-N 2.85Å; K109-I112 PolarHBondContact O-N 3.43Å; M110-I112 VanDerWaalsContact C-N 3.35Å; M110-I112 PolarHBondContact O-N 2.83Å; I112-T115 PolarHBondContact O-N 3.01Å; I112-A116 VanDerWaalsContact O-CB 3.31Å; I112-A116 WeakPolarHBondContact O-CB 3.26Å; I112-A116 PolarHBondContact O-N 3.07Å
113	F	93.1	Very high	93	Very high	13 Å²	13	78.9 Å²	78.9	6%	0.057	39%	0.386	C	S	.	.	H	α-helix	trans	-63.9	-47.3	178.2	-73.2	-54.2	0	0	0	112.4	V101 K109 M110 T115 A116 F117 F202 M203 A206	V101-F113 HydrophobicContact CG1-CZ 4.46Å; K109-F113 HydrophobicContact CD-CE2 3.99Å; K109-F113 HydrophobicContact CG-CD2 3.8Å; K109-F113 HydrophobicContact CG-CE2 3.48Å; K109-F113 VanDerWaalsContact CG-CE2 3.48Å; K109-F113 WeakPolarHBondContact O-CD2 3.07Å; K109-F113 PolarHBondContact O-N 2.91Å; K109-F113 VanDerWaalsContact O-N 3.1Å; M110-F113 PolarHBondContact O-N 3.11Å; F113-T115 VanDerWaalsContact C-N 3.3Å; F113-T115 PolarHBondContact O-N 2.69Å; F113-A116 PolarHBondContact O-N 2.91Å; F113-A116 VanDerWaalsContact O-N 3.17Å; F113-F117 HydrophobicContact CB-CE2 4.47Å; F113-F117 WeakPolarHBondContact O-CD2 3.11Å; F113-F117 PolarHBondContact O-N 2.7Å; F113-F202 AromaticContact CE1-CD1 3.91Å; F113-F202 HydrophobicContact CE1-CD1 3.91Å; F113-F202 HydrophobicContact CE1-CE1 4.14Å; F113-F202 HydrophobicContact CZ-CD1 4.39Å; F113-F202 HydrophobicContact CZ-CE1 4.37Å; F113-M203 HydrophobicContact CD1-CB 3.92Å; F113-M203 HydrophobicContact CD1-CG 4Å; F113-M203 HydrophobicContact CD2-CG 4.1Å; F113-M203 HydrophobicContact CE1-CB 3.89Å; F113-M203 HydrophobicContact CE1-CG 4.24Å; F113-M203 HydrophobicContact CE2-CG 4.3Å; F113-M203 HydrophobicContact CG-CB 4.41Å; F113-M203 HydrophobicContact CG-CG 3.97Å; F113-M203 HydrophobicContact CZ-CB 4.32Å; F113-M203 HydrophobicContact CZ-CG 4.4Å; F113-A206 HydrophobicContact CE2-CB 4.28Å; F113-A206 HydrophobicContact CZ-CB 3.73Å
114	I	94.3	Very high	93.5	Very high	100 Å²	100	75.6 Å²	75.6	51%	0.513	37%	0.368	S	S	.	.	H	α-helix	trans	-57.6	-45.7	177.6	-69.1	164.5	0	0	0	110.5	M110 T111 A116 F117 L118	M110-I114 WeakPolarHBondContact O-CB 3.42Å; M110-I114 WeakPolarHBondContact O-CD1 3.31Å; M110-I114 WeakPolarHBondContact O-CG1 3.29Å; M110-I114 PolarHBondContact O-N 3.08Å; T111-I114 PolarHBondContact O-N 2.78Å; I114-A116 VanDerWaalsContact C-N 3.35Å; I114-A116 PolarHBondContact O-N 3.17Å; I114-F117 PolarHBondContact O-N 3.26Å; I114-L118 HydrophobicContact CG2-CD1 3.74Å; I114-L118 HydrophobicContact CG2-CG 4.35Å; I114-L118 WeakPolarHBondContact O-CB 3.43Å; I114-L118 WeakPolarHBondContact O-CG 3.44Å; I114-L118 PolarHBondContact O-N 3.37Å
115	T	94.8	Very high	94	Very high	86 Å²	86	73.2 Å²	73.2	53%	0.528	36%	0.356	S	S	.	.	H	α-helix	trans	-65.7	-38.9	179	-51.2	0	0	0	0	111.4	T111 I112 F113 G119	T111-T115 VanDerWaalsContact O-CB 3.31Å; T111-T115 WeakPolarHBondContact O-CB 3.49Å; T111-T115 PolarHBondContact O-N 2.7Å; T111-T115 PolarHBondContact O-OG1 2.74Å; I112-T115 PolarHBondContact O-N 3.01Å; F113-T115 VanDerWaalsContact C-N 3.3Å; F113-T115 PolarHBondContact O-N 2.69Å; T115-G119 WeakPolarHBondContact O-CA 3.45Å; T115-G119 PolarHBondContact O-N 3.5Å
116	A	93.6	Very high	94.4	Very high	48 Å²	48	69.4 Å²	69.4	40%	0.397	34%	0.343	S	S	.	.	H	α-helix	trans	-64.5	-43.5	176.1	0	0	0	0	0	112.1	I112 F113 I114 S120	I112-A116 VanDerWaalsContact O-CB 3.31Å; I112-A116 WeakPolarHBondContact O-CB 3.26Å; I112-A116 PolarHBondContact O-N 3.07Å; F113-A116 PolarHBondContact O-N 2.91Å; F113-A116 VanDerWaalsContact O-N 3.17Å; I114-A116 VanDerWaalsContact C-N 3.35Å; I114-A116 PolarHBondContact O-N 3.17Å; A116-S120 WeakPolarHBondContact O-CB 3.21Å; A116-S120 PolarHBondContact O-N 3.08Å; A116-S120 PolarHBondContact O-OG 3Å
117	F	94.8	Very high	94.7	Very high	33 Å²	33	67.6 Å²	67.6	15%	0.145	34%	0.34	C	S	.	.	H	α-helix	trans	-64.2	-53.4	175.7	-79.2	-67	0	0	0	111.8	F113 I114 G119 S120 W121 V199 M203	F113-F117 HydrophobicContact CB-CE2 4.47Å; F113-F117 WeakPolarHBondContact O-CD2 3.11Å; F113-F117 PolarHBondContact O-N 2.7Å; I114-F117 PolarHBondContact O-N 3.26Å; F117-G119 VanDerWaalsContact C-N 3.28Å; F117-G119 PolarHBondContact O-N 2.79Å; F117-S120 PolarHBondContact O-N 3.14Å; F117-S120 VanDerWaalsContact O-N 3.12Å; F117-S120 PolarHBondContact O-OG 3.37Å; F117-W121 HydrophobicContact CB-CH2 4.13Å; F117-W121 HydrophobicContact CB-CZ2 3.8Å; F117-W121 HydrophobicContact CD1-CZ2 4.15Å; F117-W121 HydrophobicContact CG-CZ2 4.24Å; F117-W121 PolarHBondContact O-N 2.88Å; F117-V199 HydrophobicContact CD1-CG1 4.31Å; F117-V199 HydrophobicContact CE1-CG1 3.8Å; F117-V199 HydrophobicContact CZ-CG1 3.94Å; F117-M203 HydrophobicContact CE2-CB 4.46Å; F117-M203 HydrophobicContact CE2-CG 4.41Å; F117-M203 HydrophobicContact CE2-SD 3.45Å; F117-M203 WeakPolarHBondContact CE2-SD 3.48Å; F117-M203 HydrophobicContact CZ-CB 4.47Å; F117-M203 HydrophobicContact CZ-SD 3.85Å
118	L	95.4	Very high	94.9	Very high	86 Å²	86	57.5 Å²	57.5	45%	0.45	30%	0.302	S	S	.	.	H	α-helix	trans	-58.1	-42.9	178.1	-70.3	172.7	0	0	0	111.6	I114 W121 F122	I114-L118 HydrophobicContact CG2-CD1 3.74Å; I114-L118 HydrophobicContact CG2-CG 4.35Å; I114-L118 WeakPolarHBondContact O-CB 3.43Å; I114-L118 WeakPolarHBondContact O-CG 3.44Å; I114-L118 PolarHBondContact O-N 3.37Å; L118-W121 HydrophobicContact CD2-CE3 3.77Å; L118-W121 HydrophobicContact CD2-CZ3 3.68Å; L118-W121 HydrophobicContact CG-CZ3 4.43Å; L118-W121 PolarHBondContact O-N 3.19Å; L118-F122 VanDerWaalsContact O-CB 3.28Å; L118-F122 WeakPolarHBondContact O-CB 3.37Å; L118-F122 PolarHBondContact O-N 3.2Å
119	G	95.9	Very high	95.1	Very high	40 Å²	40	54 Å²	54	41%	0.412	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-42.8	176.1	0	0	0	0	0	112.4	T115 F117 F123	T115-G119 WeakPolarHBondContact O-CA 3.45Å; T115-G119 PolarHBondContact O-N 3.5Å; F117-G119 VanDerWaalsContact C-N 3.28Å; F117-G119 PolarHBondContact O-N 2.79Å; G119-F123 VanDerWaalsContact O-CB 3.26Å; G119-F123 WeakPolarHBondContact O-CB 3.19Å; G119-F123 PolarHBondContact O-N 2.91Å
120	S	96.3	Very high	95.3	Very high	21 Å²	21	55.9 Å²	55.9	15%	0.147	30%	0.304	C	S	.	.	H	α-helix	trans	-65.8	-45.1	176.6	67.9	0	0	0	0	112.5	A116 F117 F122 F123 F124 Q168	A116-S120 WeakPolarHBondContact O-CB 3.21Å; A116-S120 PolarHBondContact O-N 3.08Å; A116-S120 PolarHBondContact O-OG 3Å; F117-S120 PolarHBondContact O-N 3.14Å; F117-S120 VanDerWaalsContact O-N 3.12Å; F117-S120 PolarHBondContact O-OG 3.37Å; S120-F122 VanDerWaalsContact C-N 3.31Å; S120-F122 PolarHBondContact O-N 2.81Å; S120-F123 PolarHBondContact O-N 2.81Å; S120-F124 WeakPolarHBondContact O-CD2 3.14Å; S120-F124 PolarHBondContact O-N 2.97Å; S120-Q168 PolarHBondContact OG-NE2 3.4Å
121	W	96.6	Very high	95.4	Very high	47 Å²	47	53.6 Å²	53.6	18%	0.178	29%	0.294	C	S	.	.	H	α-helix	trans	-63.1	-40.9	178.2	-57.9	-25.5	0	0	0	111.3	F117 L118 G125 F161 S164 L165 V169	F117-W121 HydrophobicContact CB-CH2 4.13Å; F117-W121 HydrophobicContact CB-CZ2 3.8Å; F117-W121 HydrophobicContact CD1-CZ2 4.15Å; F117-W121 HydrophobicContact CG-CZ2 4.24Å; F117-W121 PolarHBondContact O-N 2.88Å; L118-W121 HydrophobicContact CD2-CE3 3.77Å; L118-W121 HydrophobicContact CD2-CZ3 3.68Å; L118-W121 HydrophobicContact CG-CZ3 4.43Å; L118-W121 PolarHBondContact O-N 3.19Å; W121-G125 PolarHBondContact O-N 3.1Å; W121-F161 HydrophobicContact CB-CD2 4.41Å; W121-F161 HydrophobicContact CB-CE2 3.71Å; W121-F161 HydrophobicContact CB-CZ 4.37Å; W121-S164 WeakPolarHBondContact O-CB 3.39Å; W121-S164 PolarHBondContact O-OG 3.12Å; W121-L165 HydrophobicContact CD2-CD1 4.36Å; W121-L165 HydrophobicContact CD2-CG 4.25Å; W121-L165 HydrophobicContact CE3-CD1 3.87Å; W121-L165 HydrophobicContact CE3-CG 4.25Å; W121-L165 HydrophobicContact CG-CB 4.49Å; W121-L165 HydrophobicContact CZ3-CD1 4.07Å; W121-V169 HydrophobicContact CH2-CG2 4.49Å; W121-V169 HydrophobicContact CZ2-CG2 3.56Å
122	F	97.1	Very high	95.4	Very high	107 Å²	107	49.9 Å²	49.9	47%	0.469	27%	0.271	S	S	.	.	H	α-helix	trans	-66.6	-46.2	176.5	-174.3	-105.6	0	0	0	112.1	L118 S120 G125 L126 F161	L118-F122 VanDerWaalsContact O-CB 3.28Å; L118-F122 WeakPolarHBondContact O-CB 3.37Å; L118-F122 PolarHBondContact O-N 3.2Å; S120-F122 VanDerWaalsContact C-N 3.31Å; S120-F122 PolarHBondContact O-N 2.81Å; F122-G125 PolarHBondContact O-N 3.16Å; F122-L126 HydrophobicContact CD1-CD1 3.99Å; F122-L126 HydrophobicContact CD1-CG 4.47Å; F122-L126 HydrophobicContact CE1-CD1 3.54Å; F122-L126 HydrophobicContact CE1-CG 4.12Å; F122-L126 HydrophobicContact CZ-CD1 4.05Å; F122-L126 HydrophobicContact CZ-CD2 4.24Å; F122-L126 HydrophobicContact CZ-CG 4.22Å; F122-L126 WeakPolarHBondContact O-CG 3.06Å; F122-L126 PolarHBondContact O-N 2.82Å; F122-F161 HydrophobicContact CB-CE2 4.42Å; F122-F161 HydrophobicContact CD2-CD2 4.47Å
123	F	97.1	Very high	95.5	Very high	112 Å²	112	51.7 Å²	51.7	49%	0.491	27%	0.273	S	S	.	.	H	α-helix	trans	-58.5	-50	177.1	174.2	-103.6	0	0	0	112	G119 S120 G125 L126 L127	G119-F123 VanDerWaalsContact O-CB 3.26Å; G119-F123 WeakPolarHBondContact O-CB 3.19Å; G119-F123 PolarHBondContact O-N 2.91Å; S120-F123 PolarHBondContact O-N 2.81Å; F123-G125 VanDerWaalsContact C-N 3.31Å; F123-G125 PolarHBondContact O-N 2.85Å; F123-L126 WeakPolarHBondContact O-CB 3.22Å; F123-L126 PolarHBondContact O-N 2.77Å; F123-L127 HydrophobicContact CD1-CD1 4.13Å; F123-L127 HydrophobicContact CE1-CD1 3.53Å; F123-L127 HydrophobicContact CE1-CG 4.36Å; F123-L127 HydrophobicContact CZ-CD1 3.77Å; F123-L127 HydrophobicContact CZ-CG 4.33Å; F123-L127 PolarHBondContact O-N 2.89Å; F123-L127 VanDerWaalsContact O-N 3.1Å
124	F	97.1	Very high	95.4	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-66.7	-33.4	175.7	-81.9	-71.4	0	0	0	112.5	S120 L126 L127 W128 S164 L188 F191 Q192 L195	S120-F124 WeakPolarHBondContact O-CD2 3.14Å; S120-F124 PolarHBondContact O-N 2.97Å; F124-L126 VanDerWaalsContact C-N 3.31Å; F124-L126 PolarHBondContact O-N 2.88Å; F124-L127 HydrophobicContact CD1-CD1 4.07Å; F124-L127 HydrophobicContact CE1-CD1 4.26Å; F124-L127 PolarHBondContact O-N 2.98Å; F124-L127 VanDerWaalsContact O-N 3.16Å; F124-W128 PolarHBondContact O-N 3.15Å; F124-S164 WeakPolarHBondContact CB-OG 3.08Å; F124-L188 HydrophobicContact CD1-CD1 3.87Å; F124-L188 HydrophobicContact CE1-CD1 3.85Å; F124-F191 AromaticContact CE1-CD1 3.84Å; F124-F191 HydrophobicContact CE1-CD1 3.84Å; F124-F191 HydrophobicContact CE1-CE1 4.29Å; F124-F191 AromaticContact CZ-CD1 3.81Å; F124-F191 HydrophobicContact CZ-CD1 3.81Å; F124-F191 AromaticContact CZ-CE1 3.96Å; F124-F191 HydrophobicContact CZ-CE1 3.96Å; F124-Q192 HydrophobicContact CB-CG 4.36Å; F124-Q192 HydrophobicContact CD1-CB 3.75Å; F124-Q192 HydrophobicContact CD1-CG 3.82Å; F124-Q192 HydrophobicContact CD2-CB 4.49Å; F124-Q192 HydrophobicContact CD2-CG 3.88Å; F124-Q192 HydrophobicContact CE1-CB 3.59Å; F124-Q192 HydrophobicContact CE1-CG 4.03Å; F124-Q192 HydrophobicContact CE2-CB 4.36Å; F124-Q192 HydrophobicContact CE2-CG 4.09Å; F124-Q192 HydrophobicContact CG-CB 4.22Å; F124-Q192 HydrophobicContact CG-CG 3.75Å; F124-Q192 HydrophobicContact CZ-CB 3.92Å; F124-Q192 HydrophobicContact CZ-CG 4.16Å; F124-L195 HydrophobicContact CE2-CD1 4.29Å; F124-L195 HydrophobicContact CZ-CD1 3.88Å
125	G	96.9	Very high	95.2	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-39	173.1	0	0	0	0	0	112.5	W121 F122 F123 W128 Y129 A160 S164	W121-G125 PolarHBondContact O-N 3.1Å; F122-G125 PolarHBondContact O-N 3.16Å; F123-G125 VanDerWaalsContact C-N 3.31Å; F123-G125 PolarHBondContact O-N 2.85Å; G125-W128 PolarHBondContact O-N 2.91Å; G125-Y129 WeakPolarHBondContact O-CB 3.27Å; G125-Y129 PolarHBondContact O-N 2.8Å; G125-A160 WeakPolarHBondContact O-CB 3.32Å; G125-S164 PolarHBondContact N-OG 3.4Å
126	L	97.3	Very high	95	Very high	71 Å²	71	57.6 Å²	57.6	37%	0.372	29%	0.294	S	S	.	.	H	α-helix	trans	-65.9	-40.7	172.5	-70.3	172.5	0	0	0	111.9	F122 F123 F124 Y129 A130 L157	F122-L126 HydrophobicContact CD1-CD1 3.99Å; F122-L126 HydrophobicContact CD1-CG 4.47Å; F122-L126 HydrophobicContact CE1-CD1 3.54Å; F122-L126 HydrophobicContact CE1-CG 4.12Å; F122-L126 HydrophobicContact CZ-CD1 4.05Å; F122-L126 HydrophobicContact CZ-CD2 4.24Å; F122-L126 HydrophobicContact CZ-CG 4.22Å; F122-L126 WeakPolarHBondContact O-CG 3.06Å; F122-L126 PolarHBondContact O-N 2.82Å; F123-L126 WeakPolarHBondContact O-CB 3.22Å; F123-L126 PolarHBondContact O-N 2.77Å; F124-L126 VanDerWaalsContact C-N 3.31Å; F124-L126 PolarHBondContact O-N 2.88Å; L126-Y129 PolarHBondContact O-N 3.22Å; L126-A130 WeakPolarHBondContact O-CB 3.42Å; L126-A130 PolarHBondContact O-N 2.69Å; L126-L157 HydrophobicContact CD2-CD1 3.78Å
127	L	96.8	Very high	94.8	Very high	59 Å²	59	56.1 Å²	56.1	31%	0.309	28%	0.28	S	S	.	.	H	α-helix	trans	-64.5	-42.9	176	-66.1	179	0	0	0	111.7	F123 F124 A130 V131 L188	F123-L127 HydrophobicContact CD1-CD1 4.13Å; F123-L127 HydrophobicContact CE1-CD1 3.53Å; F123-L127 HydrophobicContact CE1-CG 4.36Å; F123-L127 HydrophobicContact CZ-CD1 3.77Å; F123-L127 HydrophobicContact CZ-CG 4.33Å; F123-L127 PolarHBondContact O-N 2.89Å; F123-L127 VanDerWaalsContact O-N 3.1Å; F124-L127 HydrophobicContact CD1-CD1 4.07Å; F124-L127 HydrophobicContact CE1-CD1 4.26Å; F124-L127 PolarHBondContact O-N 2.98Å; F124-L127 VanDerWaalsContact O-N 3.16Å; L127-A130 WeakPolarHBondContact O-CB 3.14Å; L127-A130 PolarHBondContact O-N 3.48Å; L127-V131 WeakPolarHBondContact O-CG2 3.48Å; L127-V131 PolarHBondContact O-N 2.53Å; L127-L188 HydrophobicContact CB-CD1 4.07Å; L127-L188 HydrophobicContact CB-CD2 3.87Å; L127-L188 HydrophobicContact CD1-CD1 3.74Å
128	W	96.6	Very high	94.6	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-63.6	-41.6	174.8	-78.4	117.2	0	0	0	112.5	F124 G125 A130 V131 A132 V151 A160 F163 V178 A185 L188 L189	F124-W128 PolarHBondContact O-N 3.15Å; G125-W128 PolarHBondContact O-N 2.91Å; W128-A130 VanDerWaalsContact C-N 3.32Å; W128-A130 PolarHBondContact O-N 2.82Å; W128-V131 PolarHBondContact O-N 3.48Å; W128-A132 PolarHBondContact O-N 3Å; W128-V151 HydrophobicContact CE3-CG2 3.76Å; W128-V151 HydrophobicContact CH2-CG2 4.34Å; W128-V151 HydrophobicContact CZ3-CG2 3.45Å; W128-V151 VanDerWaalsContact CZ3-CG2 3.45Å; W128-A160 HydrophobicContact CB-CB 4.21Å; W128-F163 AromaticContact CD2-CD1 3.8Å; W128-F163 HydrophobicContact CD2-CD1 3.8Å; W128-F163 AromaticContact CD2-CE1 3.66Å; W128-F163 HydrophobicContact CD2-CE1 3.66Å; W128-F163 AromaticContact CE2-CD1 3.95Å; W128-F163 AromaticContact CE2-CE1 3.52Å; W128-F163 HydrophobicContact CE3-CD1 4.26Å; W128-F163 AromaticContact CE3-CE1 3.9Å; W128-F163 HydrophobicContact CE3-CE1 3.9Å; W128-F163 AromaticContact CG-CD1 3.92Å; W128-F163 HydrophobicContact CG-CD1 3.92Å; W128-F163 HydrophobicContact CG-CE1 4.26Å; W128-F163 AromaticContact CH2-CE1 3.88Å; W128-F163 HydrophobicContact CH2-CE1 3.88Å; W128-F163 AromaticContact CZ2-CE1 3.66Å; W128-F163 HydrophobicContact CZ2-CE1 3.66Å; W128-F163 HydrophobicContact CZ2-CZ 4.46Å; W128-F163 HydrophobicContact CZ3-CE1 4Å; W128-F163 AromaticContact NE1-CE1 3.99Å; W128-V178 HydrophobicContact CH2-CG2 4.1Å; W128-A185 HydrophobicContact CH2-CB 4.03Å; W128-A185 VanDerWaalsContact CH2-O 3.23Å; W128-A185 WeakPolarHBondContact CH2-O 3.11Å; W128-A185 HydrophobicContact CZ3-CB 3.67Å; W128-L188 HydrophobicContact CD2-CD2 3.63Å; W128-L188 HydrophobicContact CD2-CG 4.45Å; W128-L188 HydrophobicContact CE3-CD2 3.92Å; W128-L188 HydrophobicContact CG-CD2 4.07Å; W128-L188 HydrophobicContact CH2-CB 4.3Å; W128-L188 HydrophobicContact CH2-CD2 4.29Å; W128-L188 HydrophobicContact CH2-CG 4.46Å; W128-L188 HydrophobicContact CZ2-CB 4.2Å; W128-L188 HydrophobicContact CZ2-CD2 4Å; W128-L188 HydrophobicContact CZ2-CG 3.98Å; W128-L188 HydrophobicContact CZ3-CD2 4.25Å; W128-L189 HydrophobicContact CH2-CB 4.23Å; W128-L189 HydrophobicContact CZ2-CB 4.15Å
129	Y	95.8	Very high	94	Very high	66 Å²	66	53.7 Å²	53.7	26%	0.259	27%	0.272	S	S	.	.	H	α-helix	trans	-62.4	-40.9	173.3	-178.1	-102.7	0	0	0	111.5	G125 L126 A132 Y133 L138 L157	G125-Y129 WeakPolarHBondContact O-CB 3.27Å; G125-Y129 PolarHBondContact O-N 2.8Å; L126-Y129 PolarHBondContact O-N 3.22Å; Y129-A132 PolarHBondContact O-N 3.44Å; Y129-Y133 VanDerWaalsContact O-CB 3.28Å; Y129-Y133 WeakPolarHBondContact O-CB 3.44Å; Y129-Y133 PolarHBondContact O-N 3.15Å; Y129-L138 HydrophobicContact CD2-CD1 4.48Å; Y129-L138 HydrophobicContact CD2-CD2 4.29Å; Y129-L138 HydrophobicContact CE2-CD1 3.75Å; Y129-L138 HydrophobicContact CE2-CD2 3.79Å; Y129-L138 HydrophobicContact CE2-CG 4.43Å; Y129-L157 HydrophobicContact CD2-CB 4.32Å; Y129-L157 HydrophobicContact CG-CD1 4.16Å
130	A	95.4	Very high	93.5	Very high	40 Å²	40	58.5 Å²	58.5	33%	0.331	28%	0.284	S	S	.	.	H	α-helix	trans	-64.4	-40.6	176.3	0	0	0	0	0	112.3	L126 L127 W128 Y133 I134	L126-A130 WeakPolarHBondContact O-CB 3.42Å; L126-A130 PolarHBondContact O-N 2.69Å; L127-A130 WeakPolarHBondContact O-CB 3.14Å; L127-A130 PolarHBondContact O-N 3.48Å; W128-A130 VanDerWaalsContact C-N 3.32Å; W128-A130 PolarHBondContact O-N 2.82Å; A130-Y133 PolarHBondContact O-N 3.44Å; A130-I134 WeakPolarHBondContact O-CB 3.41Å; A130-I134 WeakPolarHBondContact O-CD1 3.22Å; A130-I134 VanDerWaalsContact O-CG1 3.23Å; A130-I134 WeakPolarHBondContact O-CG1 3.49Å; A130-I134 PolarHBondContact O-N 3.48Å
131	V	94.4	Very high	92.9	Very high	22 Å²	22	61.3 Å²	61.3	13%	0.133	29%	0.293	C	S	.	.	H	α-helix	trans	-60.7	-49.2	174	170.9	0	0	0	0	110.6	L127 W128 Y133 I134 H135 C150 T184 A185 L188	L127-V131 WeakPolarHBondContact O-CG2 3.48Å; L127-V131 PolarHBondContact O-N 2.53Å; W128-V131 PolarHBondContact O-N 3.48Å; V131-Y133 VanDerWaalsContact C-N 3.3Å; V131-Y133 PolarHBondContact O-N 2.69Å; V131-I134 PolarHBondContact O-N 2.98Å; V131-H135 WeakPolarHBondContact O-CB 3.42Å; V131-H135 PolarHBondContact O-N 2.94Å; V131-C150 HydrophobicContact CG1-CB 4.19Å; V131-T184 HydrophobicContact CG2-CG2 4.31Å; V131-A185 HydrophobicContact CG1-CB 4.47Å; V131-L188 HydrophobicContact CG2-CD2 4.13Å
132	A	93.2	Very high	92.2	Very high	4 Å²	4	66.9 Å²	66.9	3%	0.033	32%	0.321	C	S	.	.	H	α-helix	trans	-62.4	-36.4	177.6	0	0	0	0	0	112.4	W128 Y129 K136 D137 L138 I154	W128-A132 PolarHBondContact O-N 3Å; Y129-A132 PolarHBondContact O-N 3.44Å; A132-K136 PolarHBondContact O-N 2.75Å; A132-K136 VanDerWaalsContact O-N 3.11Å; A132-D137 HydrophobicContact CB-CB 4.22Å; A132-D137 PolarHBondContact O-N 3.12Å; A132-L138 HydrophobicContact CB-CG 4.47Å; A132-I154 HydrophobicContact CB-CG2 4.05Å
133	Y	92.9	Very high	91.4	Very high	122 Å²	122	64.7 Å²	64.7	48%	0.478	32%	0.317	S	S	.	.	H	α-helix	trans	-68.6	-47.2	177.3	-174.5	-90.1	0	0	0	112.3	Y129 A130 V131 H135 K136 L138 F141	Y129-Y133 VanDerWaalsContact O-CB 3.28Å; Y129-Y133 WeakPolarHBondContact O-CB 3.44Å; Y129-Y133 PolarHBondContact O-N 3.15Å; A130-Y133 PolarHBondContact O-N 3.44Å; V131-Y133 VanDerWaalsContact C-N 3.3Å; V131-Y133 PolarHBondContact O-N 2.69Å; Y133-H135 PolarHBondContact O-N 3.36Å; Y133-K136 PolarHBondContact O-N 2.75Å; Y133-L138 HydrophobicContact CD2-CD1 3.71Å; Y133-L138 HydrophobicContact CG-CD1 4.31Å; Y133-F141 HydrophobicContact CD2-CE2 4.04Å; Y133-F141 HydrophobicContact CD2-CZ 4.14Å; Y133-F141 HydrophobicContact CE2-CE2 4.1Å; Y133-F141 AromaticContact CE2-CZ 3.75Å; Y133-F141 HydrophobicContact CE2-CZ 3.75Å
134	I	91.9	Very high	90.5	Very high	137 Å²	137	63.3 Å²	63.3	70%	0.703	32%	0.322	S	S	*	.	H	α-helix	trans	-66.2	-39.6	-179.6	-68	165.6	0	0	0	110.9	A130 V131 K136	A130-I134 WeakPolarHBondContact O-CB 3.41Å; A130-I134 WeakPolarHBondContact O-CD1 3.22Å; A130-I134 VanDerWaalsContact O-CG1 3.23Å; A130-I134 WeakPolarHBondContact O-CG1 3.49Å; A130-I134 PolarHBondContact O-N 3.48Å; V131-I134 PolarHBondContact O-N 2.98Å; I134-K136 PolarHBondContact O-N 2.88Å
135	H	90.1	Very high	89.5	Confident	58 Å²	58	68.3 Å²	68.3	27%	0.269	36%	0.364	S	S	.	.	H	α-helix	trans	-78.2	-6.8	177.7	-163	-102.2	0	0	0	113.5	V131 Y133 D137 H147 T148	V131-H135 WeakPolarHBondContact O-CB 3.42Å; V131-H135 PolarHBondContact O-N 2.94Å; Y133-H135 PolarHBondContact O-N 3.36Å; H135-D137 IonicContact CE1-OD1 3.65Å; H135-D137 IonicContact CG-OD1 3.68Å; H135-D137 IonicContact CG-OD2 3.92Å; H135-D137 IonicContact ND1-OD1 2.71Å; H135-D137 PolarHBondContact ND1-OD1 2.77Å; H135-D137 IonicContact ND1-OD2 3.38Å; H135-D137 PolarHBondContact ND1-OD2 2.81Å; H135-H147 AromaticContact CE1-CE1 3.46Å; H135-H147 PolarHBondContact CE1-CE1 2.85Å; H135-H147 VanDerWaalsContact CE1-CE1 3.46Å; H135-H147 AromaticContact CE1-NE2 3.72Å; H135-H147 AromaticContact ND1-CE1 3.59Å; H135-H147 AromaticContact ND1-NE2 3.55Å; H135-T148 PolarHBondContact CE1-O 2.93Å
136	K	90.8	Very high	88.7	Confident	129 Å²	129	75.6 Å²	75.6	56%	0.561	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	37.1	-178.5	-54.3	178.7	-178.8	176.3	0	113.9	A132 Y133 I134 L138 F141	A132-K136 PolarHBondContact O-N 2.75Å; A132-K136 VanDerWaalsContact O-N 3.11Å; Y133-K136 PolarHBondContact O-N 2.75Å; I134-K136 PolarHBondContact O-N 2.88Å; K136-L138 VanDerWaalsContact C-N 3.32Å; K136-F141 HydrophobicContact CB-CB 4.04Å; K136-F141 HydrophobicContact CB-CD2 4.02Å; K136-F141 HydrophobicContact CB-CG 3.94Å; K136-F141 HydrophobicContact CG-CD1 4.4Å; K136-F141 HydrophobicContact CG-CD2 4.43Å; K136-F141 HydrophobicContact CG-CG 4.28Å
137	D	88.8	Confident	88.1	Confident	17 Å²	17	75.2 Å²	75.2	9%	0.091	40%	0.399	C	S	.	.			trans	-79.9	-15.9	178.3	-66	-19.4	0	0	0	113.2	A132 H135 H147 P149 C150	A132-D137 HydrophobicContact CB-CB 4.22Å; A132-D137 PolarHBondContact O-N 3.12Å; H135-D137 IonicContact CE1-OD1 3.65Å; H135-D137 IonicContact CG-OD1 3.68Å; H135-D137 IonicContact CG-OD2 3.92Å; H135-D137 IonicContact ND1-OD1 2.71Å; H135-D137 PolarHBondContact ND1-OD1 2.77Å; H135-D137 IonicContact ND1-OD2 3.38Å; H135-D137 PolarHBondContact ND1-OD2 2.81Å; D137-H147 IonicContact OD1-CD2 3.65Å; D137-H147 IonicContact OD1-CE1 3.71Å; D137-H147 IonicContact OD1-NE2 2.73Å; D137-H147 PolarHBondContact OD1-NE2 2.72Å; D137-P149 HydrophobicContact CB-CB 4.12Å; D137-P149 WeakPolarHBondContact OD1-CA 3.37Å; D137-C150 WeakPolarHBondContact OD2-CB 3.42Å; D137-C150 PolarHBondContact OD2-N 2.88Å
138	L	89.7	Confident	87.7	Confident	2 Å²	2	75.9 Å²	75.9	1%	0.01	41%	0.406	C	S	.	.	S	Bend	trans	-68.8	145.2	-178	-70.9	160.1	0	0	0	111.2	Y129 A132 Y133 K136 E140 F141	Y129-L138 HydrophobicContact CD2-CD1 4.48Å; Y129-L138 HydrophobicContact CD2-CD2 4.29Å; Y129-L138 HydrophobicContact CE2-CD1 3.75Å; Y129-L138 HydrophobicContact CE2-CD2 3.79Å; Y129-L138 HydrophobicContact CE2-CG 4.43Å; A132-L138 HydrophobicContact CB-CG 4.47Å; Y133-L138 HydrophobicContact CD2-CD1 3.71Å; Y133-L138 HydrophobicContact CG-CD1 4.31Å; K136-L138 VanDerWaalsContact C-N 3.32Å; L138-E140 PolarHBondContact O-N 3.19Å; L138-F141 HydrophobicContact CB-CD2 3.98Å; L138-F141 HydrophobicContact CB-CE2 4.21Å; L138-F141 HydrophobicContact CD1-CE2 4.31Å; L138-F141 PolarHBondContact O-N 2.8Å
139	P	84.2	Confident	87.5	Confident	65 Å²	65	77.6 Å²	77.6	42%	0.422	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-60.4	-22.9	-177	22.6	-33	0	0	0	113.7	F141 H142 N155	P139-F141 PolarHBondContact O-N 2.88Å; P139-H142 PolarHBondContact O-N 2.81Å; P139-N155 HydrophobicContact CG-CB 4.41Å
140	E	85.1	Confident	87.3	Confident	142 Å²	142	74.6 Å²	74.6	66%	0.664	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-62.2	-26.5	176.2	-65.1	176.8	-174.9	0	0	113.5	L138 H142	L138-E140 PolarHBondContact O-N 3.19Å; E140-H142 VanDerWaalsContact C-N 3.31Å
141	F	83.9	Confident	87.2	Confident	79 Å²	79	72.9 Å²	72.9	35%	0.346	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-87.8	0.1	-180	-64.1	-70.6	0	0	0	113.5	Y133 K136 L138 P139	Y133-F141 HydrophobicContact CD2-CE2 4.04Å; Y133-F141 HydrophobicContact CD2-CZ 4.14Å; Y133-F141 HydrophobicContact CE2-CE2 4.1Å; Y133-F141 AromaticContact CE2-CZ 3.75Å; Y133-F141 HydrophobicContact CE2-CZ 3.75Å; K136-F141 HydrophobicContact CB-CB 4.04Å; K136-F141 HydrophobicContact CB-CD2 4.02Å; K136-F141 HydrophobicContact CB-CG 3.94Å; K136-F141 HydrophobicContact CG-CD1 4.4Å; K136-F141 HydrophobicContact CG-CD2 4.43Å; K136-F141 HydrophobicContact CG-CG 4.28Å; L138-F141 HydrophobicContact CB-CD2 3.98Å; L138-F141 HydrophobicContact CB-CE2 4.21Å; L138-F141 HydrophobicContact CD1-CE2 4.31Å; L138-F141 PolarHBondContact O-N 2.8Å; P139-F141 PolarHBondContact O-N 2.88Å
142	H	80.8	Confident	87	Confident	165 Å²	165	76.2 Å²	76.2	76%	0.764	41%	0.405	S	S	*	.			trans	43.8	62.6	-176.6	-65.4	-69.4	0	0	0	112.5	P139 E140 S144	P139-H142 PolarHBondContact O-N 2.81Å; E140-H142 VanDerWaalsContact C-N 3.31Å; H142-S144 PolarHBondContact O-N 2.85Å
143	P	80	Confident	86.9	Confident	60 Å²	60	79.3 Å²	79.3	39%	0.39	42%	0.421	S	S	.	.			trans	-57.9	139.2	-177.5	23.6	-32.5	0	0	0	111	H147	P143-H147 HydrophobicContact CB-CB 4.05Å
144	S	78.8	Confident	86.9	Confident	83 Å²	83	73.8 Å²	73.8	58%	0.58	40%	0.4	S	S	*	.			trans	-63.6	155	177.9	66.3	0	0	0	0	111.4	H142 N146 H147	H142-S144 PolarHBondContact O-N 2.85Å; S144-N146 PolarHBondContact O-N 2.8Å; S144-H147 VanDerWaalsContact O-CB 3.26Å; S144-H147 WeakPolarHBondContact O-CB 3.26Å; S144-H147 PolarHBondContact O-N 3.24Å
145	A	75.6	Confident	86.8	Confident	111 Å²	111	72.5 Å²	72.5	92%	0.917	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-18.5	-179.7	0	0	0	0	0	115.1
146	N	80.3	Confident	87	Confident	155 Å²	155	70.6 Å²	70.6	83%	0.829	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	3.5	177.5	-67.1	-10.1	0	0	0	113.6	S144	S144-N146 PolarHBondContact O-N 2.8Å
147	H	85.4	Confident	87.1	Confident	63 Å²	63	67.9 Å²	67.9	29%	0.292	38%	0.382	S	S	.	.			trans	-84.9	115.5	-179.7	-177.5	79.6	0	0	0	110.3	H135 D137 P143 S144	H135-H147 AromaticContact CE1-CE1 3.46Å; H135-H147 PolarHBondContact CE1-CE1 2.85Å; H135-H147 VanDerWaalsContact CE1-CE1 3.46Å; H135-H147 AromaticContact CE1-NE2 3.72Å; H135-H147 AromaticContact ND1-CE1 3.59Å; H135-H147 AromaticContact ND1-NE2 3.55Å; D137-H147 IonicContact OD1-CD2 3.65Å; D137-H147 IonicContact OD1-CE1 3.71Å; D137-H147 IonicContact OD1-NE2 2.73Å; D137-H147 PolarHBondContact OD1-NE2 2.72Å; P143-H147 HydrophobicContact CB-CB 4.05Å; S144-H147 VanDerWaalsContact O-CB 3.26Å; S144-H147 WeakPolarHBondContact O-CB 3.26Å; S144-H147 PolarHBondContact O-N 3.24Å
148	T	88.4	Confident	87.4	Confident	72 Å²	72	72.1 Å²	72.1	44%	0.442	41%	0.408	S	S	.	.			trans	-86.7	117.5	173.9	47.3	0	0	0	0	109.6	H135	H135-T148 PolarHBondContact CE1-O 2.93Å
149	P	91.5	Very high	87.6	Confident	38 Å²	38	72.6 Å²	72.6	25%	0.247	41%	0.412	C	S	.	.			trans	-72	154.8	-179	30.7	-35.3	0	0	0	111.1	D137 V151 E152 T179	D137-P149 HydrophobicContact CB-CB 4.12Å; D137-P149 WeakPolarHBondContact OD1-CA 3.37Å; P149-V151 VanDerWaalsContact C-N 3.28Å; P149-V151 PolarHBondContact O-N 2.9Å; P149-E152 HydrophobicContact CG-CG 4.32Å; P149-T179 WeakPolarHBondContact O-CB 3.38Å; P149-T179 WeakPolarHBondContact O-CG2 3.02Å; P149-T179 PolarHBondContact O-OG1 2.78Å
150	C	91.6	Very high	88.2	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.014	39%	0.392	C	S	.	.	S	Bend	trans	-64.4	-36.2	173.2	-62.1	0	0	0	0	111.9	V131 D137 T179 C182 A185	V131-C150 HydrophobicContact CG1-CB 4.19Å; D137-C150 WeakPolarHBondContact OD2-CB 3.42Å; D137-C150 PolarHBondContact OD2-N 2.88Å; C150-T179 PolarHBondContact O-N 2.64Å; C150-T179 PolarHBondContact O-OG1 3.48Å; C150-C182 WeakPolarHBondContact CA-SG 3.34Å; C150-C182 HydrophobicContact CB-CB 3.62Å; C150-C182 WeakPolarHBondContact CB-SG 3.3Å; C150-C182 WeakPolarHBondContact SG-CB 3.28Å; C150-C182 CovalentContact SG-SG 2.02Å; C150-C182 PolarHBondContact SG-SG 3.14Å; C150-A185 HydrophobicContact CB-CB 4.25Å
151	V	93.1	Very high	88.7	Confident	5 Å²	5	65.4 Å²	65.4	3%	0.03	37%	0.372	C	S	.	.	B	Isolated β-bridge	trans	-138.9	128.8	175.9	-174.4	0	0	0	0	108.8	W128 P149 I154 F163 C177 V178	W128-V151 HydrophobicContact CE3-CG2 3.76Å; W128-V151 HydrophobicContact CH2-CG2 4.34Å; W128-V151 HydrophobicContact CZ3-CG2 3.45Å; W128-V151 VanDerWaalsContact CZ3-CG2 3.45Å; P149-V151 VanDerWaalsContact C-N 3.28Å; P149-V151 PolarHBondContact O-N 2.9Å; V151-I154 HydrophobicContact CB-CD1 3.52Å; V151-I154 HydrophobicContact CB-CG1 3.99Å; V151-I154 HydrophobicContact CG1-CD1 3.65Å; V151-I154 HydrophobicContact CG1-CG1 3.87Å; V151-I154 HydrophobicContact CG2-CD1 4.11Å; V151-F163 HydrophobicContact CG1-CD1 4.1Å; V151-F163 HydrophobicContact CG1-CD2 4.19Å; V151-F163 HydrophobicContact CG1-CE1 3.9Å; V151-F163 HydrophobicContact CG1-CE2 4.01Å; V151-F163 HydrophobicContact CG1-CG 4.25Å; V151-F163 HydrophobicContact CG1-CZ 3.88Å; V151-F163 HydrophobicContact CG2-CE1 4.08Å; V151-F163 HydrophobicContact CG2-CZ 4.47Å; V151-C177 CarbonylContact C-O 3.58Å; V151-C177 VanDerWaalsContact CA-O 3.31Å; V151-C177 WeakPolarHBondContact CA-O 3.43Å; V151-C177 WeakPolarHBondContact CG1-O 3.32Å; V151-V178 HydrophobicContact CG2-CG2 4.22Å
152	E	91.9	Very high	89.3	Confident	91 Å²	91	64.8 Å²	64.8	43%	0.425	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	144.6	-179.4	-63.2	-171.8	166.6	0	0	112.1	P149 I154 R176 C177 T179	P149-E152 HydrophobicContact CG-CG 4.32Å; E152-I154 VanDerWaalsContact C-N 3.33Å; E152-I154 PolarHBondContact O-N 2.78Å; E152-R176 WeakPolarHBondContact O-CA 3.34Å; E152-C177 PolarHBondContact N-O 2.9Å; E152-T179 HydrophobicContact CG-CG2 4.1Å
153	N	90.8	Very high	90	Very high	69 Å²	69	57.3 Å²	57.3	37%	0.369	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	33.7	171.7	-57.4	-51.7	0	0	0	115.3	F175 R176	N153-F175 HydrophobicContact CB-CD1 4.2Å; N153-F175 HydrophobicContact CB-CE1 3.7Å; N153-F175 HydrophobicContact CB-CZ 4.05Å; N153-F175 PolarHBondContact ND2-O 2.78Å; N153-R176 HydrophobicContact CB-CG 4.26Å
154	I	92.5	Very high	90.9	Very high	6 Å²	6	54.4 Å²	54.4	3%	0.031	32%	0.318	C	S	.	.			trans	-91.4	103.7	165.4	-59.8	-169.2	0	0	0	109.7	A132 V151 E152 A160 F163	A132-I154 HydrophobicContact CB-CG2 4.05Å; V151-I154 HydrophobicContact CB-CD1 3.52Å; V151-I154 HydrophobicContact CB-CG1 3.99Å; V151-I154 HydrophobicContact CG1-CD1 3.65Å; V151-I154 HydrophobicContact CG1-CG1 3.87Å; V151-I154 HydrophobicContact CG2-CD1 4.11Å; E152-I154 VanDerWaalsContact C-N 3.33Å; E152-I154 PolarHBondContact O-N 2.78Å; I154-A160 HydrophobicContact CG2-CB 4.13Å; I154-F163 HydrophobicContact CD1-CD1 4.42Å
155	N	90.3	Very high	91.7	Very high	110 Å²	110	52.3 Å²	52.3	59%	0.588	30%	0.301	S	S	*	.			trans	-99.7	-11.6	-176.8	-59.9	-9.3	0	0	0	113.3	P139 S159	P139-N155 HydrophobicContact CG-CB 4.41Å; N155-S159 PolarHBondContact N-OG 2.83Å
156	G	92.8	Very high	92.6	Very high	18 Å²	18	47.3 Å²	47.3	19%	0.186	26%	0.258	C	S	.	.	S	Bend	trans	174.8	-167.8	-177.6	0	0	0	0	0	113.2	T158 S159 A160	G156-T158 PolarHBondContact O-N 3.45Å; G156-S159 PolarHBondContact N-OG 3.1Å; G156-S159 PolarHBondContact O-N 3.03Å; G156-S159 PolarHBondContact O-OG 2.84Å; G156-A160 PolarHBondContact O-N 2.81Å; G156-A160 VanDerWaalsContact O-N 3.09Å
157	L	94.2	Very high	93.3	Very high	73 Å²	73	41 Å²	41	38%	0.382	23%	0.225	S	C	.	.	H	α-helix	trans	-62.2	-41.5	-177.4	-178.4	62.9	0	0	0	112.6	L126 Y129 S159 A160 F161	L126-L157 HydrophobicContact CD2-CD1 3.78Å; Y129-L157 HydrophobicContact CD2-CB 4.32Å; Y129-L157 HydrophobicContact CG-CD1 4.16Å; L157-S159 PolarHBondContact O-N 2.7Å; L157-A160 PolarHBondContact O-N 2.86Å; L157-F161 WeakPolarHBondContact O-CB 3.46Å; L157-F161 PolarHBondContact O-N 2.85Å
158	T	95	Very high	93.8	Very high	106 Å²	106	38.9 Å²	38.9	65%	0.65	22%	0.215	S	C	*	.	H	α-helix	trans	-63.2	-42.4	-179.8	-51	0	0	0	0	111.8	G156 F161 L162	G156-T158 PolarHBondContact O-N 3.45Å; T158-F161 PolarHBondContact O-N 3.06Å; T158-L162 WeakPolarHBondContact O-CG 2.92Å; T158-L162 PolarHBondContact O-N 3Å
159	S	94.5	Very high	94.1	Very high	12 Å²	12	38.4 Å²	38.4	8%	0.084	21%	0.212	C	C	.	.	H	α-helix	trans	-68.1	-35	175.9	45.6	0	0	0	0	112.6	N155 G156 L157 L162 F163	N155-S159 PolarHBondContact N-OG 2.83Å; G156-S159 PolarHBondContact N-OG 3.1Å; G156-S159 PolarHBondContact O-N 3.03Å; G156-S159 PolarHBondContact O-OG 2.84Å; L157-S159 PolarHBondContact O-N 2.7Å; S159-L162 PolarHBondContact O-N 2.83Å; S159-F163 WeakPolarHBondContact O-CB 3.49Å; S159-F163 PolarHBondContact O-N 2.91Å
160	A	95.8	Very high	94.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-68.6	-37.9	174.9	0	0	0	0	0	111.9	G125 W128 I154 G156 L157 F163 S164	G125-A160 WeakPolarHBondContact O-CB 3.32Å; W128-A160 HydrophobicContact CB-CB 4.21Å; I154-A160 HydrophobicContact CG2-CB 4.13Å; G156-A160 PolarHBondContact O-N 2.81Å; G156-A160 VanDerWaalsContact O-N 3.09Å; L157-A160 PolarHBondContact O-N 2.86Å; A160-F163 PolarHBondContact O-N 2.88Å; A160-S164 WeakPolarHBondContact O-CB 3.35Å; A160-S164 PolarHBondContact O-N 2.87Å
161	F	96.6	Very high	94.4	Very high	56 Å²	56	45.8 Å²	45.8	25%	0.246	25%	0.253	C	S	.	.	H	α-helix	trans	-63.6	-45.9	171.9	172.7	-101.4	0	0	0	112.2	W121 F122 L157 T158 F163 S164 L165	W121-F161 HydrophobicContact CB-CD2 4.41Å; W121-F161 HydrophobicContact CB-CE2 3.71Å; W121-F161 HydrophobicContact CB-CZ 4.37Å; F122-F161 HydrophobicContact CB-CE2 4.42Å; F122-F161 HydrophobicContact CD2-CD2 4.47Å; L157-F161 WeakPolarHBondContact O-CB 3.46Å; L157-F161 PolarHBondContact O-N 2.85Å; T158-F161 PolarHBondContact O-N 3.06Å; F161-F163 VanDerWaalsContact C-N 3.33Å; F161-F163 PolarHBondContact O-N 2.95Å; F161-S164 WeakPolarHBondContact O-CB 3.43Å; F161-S164 PolarHBondContact O-N 2.79Å; F161-L165 HydrophobicContact CE1-CD1 4.33Å; F161-L165 HydrophobicContact CZ-CD1 4.35Å; F161-L165 PolarHBondContact O-N 2.81Å
162	L	96	Very high	94.2	Very high	65 Å²	65	48.2 Å²	48.2	34%	0.34	28%	0.279	S	S	.	.	H	α-helix	trans	-60.7	-44.1	176.2	-72.1	173.5	0	0	0	111.1	T158 S159 S164 L165 E166	T158-L162 WeakPolarHBondContact O-CG 2.92Å; T158-L162 PolarHBondContact O-N 3Å; S159-L162 PolarHBondContact O-N 2.83Å; L162-S164 PolarHBondContact O-N 3.38Å; L162-L165 PolarHBondContact O-N 3.41Å; L162-E166 WeakPolarHBondContact O-CB 3.19Å; L162-E166 WeakPolarHBondContact O-CG 3.35Å; L162-E166 PolarHBondContact O-N 2.63Å
163	F	96.1	Very high	94.2	Very high	8 Å²	8	51.7 Å²	51.7	4%	0.035	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-48.2	174.9	-177.9	-115.4	0	0	0	112.1	W128 V151 I154 S159 A160 F161 L165 E166 T167 R176 V178	W128-F163 AromaticContact CD2-CD1 3.8Å; W128-F163 HydrophobicContact CD2-CD1 3.8Å; W128-F163 AromaticContact CD2-CE1 3.66Å; W128-F163 HydrophobicContact CD2-CE1 3.66Å; W128-F163 AromaticContact CE2-CD1 3.95Å; W128-F163 AromaticContact CE2-CE1 3.52Å; W128-F163 HydrophobicContact CE3-CD1 4.26Å; W128-F163 AromaticContact CE3-CE1 3.9Å; W128-F163 HydrophobicContact CE3-CE1 3.9Å; W128-F163 AromaticContact CG-CD1 3.92Å; W128-F163 HydrophobicContact CG-CD1 3.92Å; W128-F163 HydrophobicContact CG-CE1 4.26Å; W128-F163 AromaticContact CH2-CE1 3.88Å; W128-F163 HydrophobicContact CH2-CE1 3.88Å; W128-F163 AromaticContact CZ2-CE1 3.66Å; W128-F163 HydrophobicContact CZ2-CE1 3.66Å; W128-F163 HydrophobicContact CZ2-CZ 4.46Å; W128-F163 HydrophobicContact CZ3-CE1 4Å; W128-F163 AromaticContact NE1-CE1 3.99Å; V151-F163 HydrophobicContact CG1-CD1 4.1Å; V151-F163 HydrophobicContact CG1-CD2 4.19Å; V151-F163 HydrophobicContact CG1-CE1 3.9Å; V151-F163 HydrophobicContact CG1-CE2 4.01Å; V151-F163 HydrophobicContact CG1-CG 4.25Å; V151-F163 HydrophobicContact CG1-CZ 3.88Å; V151-F163 HydrophobicContact CG2-CE1 4.08Å; V151-F163 HydrophobicContact CG2-CZ 4.47Å; I154-F163 HydrophobicContact CD1-CD1 4.42Å; S159-F163 WeakPolarHBondContact O-CB 3.49Å; S159-F163 PolarHBondContact O-N 2.91Å; A160-F163 PolarHBondContact O-N 2.88Å; F161-F163 VanDerWaalsContact C-N 3.33Å; F161-F163 PolarHBondContact O-N 2.95Å; F163-L165 VanDerWaalsContact C-N 3.32Å; F163-L165 PolarHBondContact O-N 3.27Å; F163-E166 PolarHBondContact O-N 3.12Å; F163-T167 WeakPolarHBondContact O-CB 3.49Å; F163-T167 PolarHBondContact O-N 3.28Å; F163-T167 PolarHBondContact O-OG1 2.81Å; F163-R176 HydrophobicContact CB-CB 4.45Å; F163-R176 HydrophobicContact CD2-CB 3.54Å; F163-R176 HydrophobicContact CE2-CB 4.22Å; F163-R176 WeakPolarHBondContact CE2-O 2.9Å; F163-R176 HydrophobicContact CG-CB 4.31Å; F163-V178 HydrophobicContact CE1-CG2 4.12Å; F163-V178 HydrophobicContact CE2-CG2 4.41Å; F163-V178 HydrophobicContact CZ-CG2 3.46Å; F163-V178 VanDerWaalsContact CZ-CG2 3.46Å
164	S	97	Very high	94.2	Very high	0 Å²	0	51 Å²	51	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-55.1	-45	175	174.3	0	0	0	0	112.8	W121 F124 G125 A160 F161 L162 Q168 Q192	W121-S164 WeakPolarHBondContact O-CB 3.39Å; W121-S164 PolarHBondContact O-OG 3.12Å; F124-S164 WeakPolarHBondContact CB-OG 3.08Å; G125-S164 PolarHBondContact N-OG 3.4Å; A160-S164 WeakPolarHBondContact O-CB 3.35Å; A160-S164 PolarHBondContact O-N 2.87Å; F161-S164 WeakPolarHBondContact O-CB 3.43Å; F161-S164 PolarHBondContact O-N 2.79Å; L162-S164 PolarHBondContact O-N 3.38Å; S164-Q168 WeakPolarHBondContact O-CB 3.02Å; S164-Q168 PolarHBondContact O-N 2.84Å; S164-Q192 PolarHBondContact O-NE2 3.39Å; S164-Q192 PolarHBondContact OG-NE2 3.14Å; S164-Q192 VanDerWaalsContact OG-NE2 3.14Å
165	L	95.9	Very high	94.1	Very high	39 Å²	39	56.5 Å²	56.5	20%	0.204	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-48.5	176.5	-177.6	160	0	0	0	111.3	W121 F161 L162 F163 T167 Q168 V169 I171	W121-L165 HydrophobicContact CD2-CD1 4.36Å; W121-L165 HydrophobicContact CD2-CG 4.25Å; W121-L165 HydrophobicContact CE3-CD1 3.87Å; W121-L165 HydrophobicContact CE3-CG 4.25Å; W121-L165 HydrophobicContact CG-CB 4.49Å; W121-L165 HydrophobicContact CZ3-CD1 4.07Å; F161-L165 HydrophobicContact CE1-CD1 4.33Å; F161-L165 HydrophobicContact CZ-CD1 4.35Å; F161-L165 PolarHBondContact O-N 2.81Å; L162-L165 PolarHBondContact O-N 3.41Å; F163-L165 VanDerWaalsContact C-N 3.32Å; F163-L165 PolarHBondContact O-N 3.27Å; L165-T167 VanDerWaalsContact C-N 3.29Å; L165-T167 PolarHBondContact O-N 3.41Å; L165-Q168 PolarHBondContact O-N 3.1Å; L165-V169 HydrophobicContact CD2-CG2 4.5Å; L165-V169 HydrophobicContact CG-CG2 4.48Å; L165-V169 WeakPolarHBondContact O-CB 3.32Å; L165-V169 WeakPolarHBondContact O-CG2 3.44Å; L165-V169 PolarHBondContact O-N 3.28Å; L165-I171 HydrophobicContact CD2-CD1 3.76Å
166	E	95.5	Very high	94.3	Very high	6 Å²	6	53.4 Å²	53.4	3%	0.028	30%	0.302	C	S	.	.	H	α-helix	trans	-57.8	-42.2	179.7	-73.1	169.1	-142.7	0	0	111.6	L162 F163 T170 I171 G172 Y173 R176	L162-E166 WeakPolarHBondContact O-CB 3.19Å; L162-E166 WeakPolarHBondContact O-CG 3.35Å; L162-E166 PolarHBondContact O-N 2.63Å; F163-E166 PolarHBondContact O-N 3.12Å; E166-T170 CarbonylContact O-C 3.54Å; E166-T170 WeakPolarHBondContact O-CA 3.42Å; E166-T170 PolarHBondContact O-N 3.39Å; E166-T170 VanDerWaalsContact O-N 3.16Å; E166-I171 PolarHBondContact O-N 2.69Å; E166-G172 PolarHBondContact O-N 3.33Å; E166-Y173 VanDerWaalsContact CD-CD2 3.44Å; E166-Y173 HydrophobicContact CG-CD2 3.64Å; E166-Y173 HydrophobicContact CG-CE2 3.9Å; E166-R176 IonicContact OE1-NH1 2.75Å; E166-R176 PolarHBondContact OE1-NH1 2.94Å
167	T	94.8	Very high	94.3	Very high	22 Å²	22	55.7 Å²	55.7	14%	0.135	32%	0.315	C	S	.	.	H	α-helix	trans	-68.6	-52.2	177.9	-61.6	0	0	0	0	111.9	F163 L165 V169 T170 L189 Q192	F163-T167 WeakPolarHBondContact O-CB 3.49Å; F163-T167 PolarHBondContact O-N 3.28Å; F163-T167 PolarHBondContact O-OG1 2.81Å; L165-T167 VanDerWaalsContact C-N 3.29Å; L165-T167 PolarHBondContact O-N 3.41Å; T167-V169 PolarHBondContact O-N 2.84Å; T167-T170 PolarHBondContact O-N 3.34Å; T167-L189 HydrophobicContact CG2-CD1 3.34Å; T167-Q192 HydrophobicContact CG2-CG 4.46Å
168	Q	95.3	Very high	94.2	Very high	18 Å²	18	53.8 Å²	53.8	8%	0.084	31%	0.306	C	S	.	.	H	α-helix	trans	-72.7	-32.6	-172.7	-162.7	177.3	-42.3	0	0	113.3	S120 S164 L165 T170 Q192	S120-Q168 PolarHBondContact OG-NE2 3.4Å; S164-Q168 WeakPolarHBondContact O-CB 3.02Å; S164-Q168 PolarHBondContact O-N 2.84Å; L165-Q168 PolarHBondContact O-N 3.1Å; Q168-T170 VanDerWaalsContact C-N 3.28Å; Q168-Q192 HydrophobicContact CB-CG 4.25Å; Q168-Q192 HydrophobicContact CG-CG 4.35Å
169	V	94.3	Very high	94.1	Very high	63 Å²	63	50.1 Å²	50.1	38%	0.382	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-4.9	175.4	-176.1	0	0	0	0	111.3	W121 L165 T167 I171	W121-V169 HydrophobicContact CH2-CG2 4.49Å; W121-V169 HydrophobicContact CZ2-CG2 3.56Å; L165-V169 HydrophobicContact CD2-CG2 4.5Å; L165-V169 HydrophobicContact CG-CG2 4.48Å; L165-V169 WeakPolarHBondContact O-CB 3.32Å; L165-V169 WeakPolarHBondContact O-CG2 3.44Å; L165-V169 PolarHBondContact O-N 3.28Å; T167-V169 PolarHBondContact O-N 2.84Å; V169-I171 VanDerWaalsContact C-N 3.29Å; V169-I171 HydrophobicContact CB-CD1 4.3Å; V169-I171 HydrophobicContact CB-CG1 4.06Å; V169-I171 HydrophobicContact CG1-CD1 4.1Å; V169-I171 HydrophobicContact CG1-CG1 3.85Å; V169-I171 PolarHBondContact O-N 2.83Å
170	T	94.3	Very high	93.9	Very high	123 Å²	123	58.4 Å²	58.4	76%	0.755	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	35.1	-179.8	66.1	0	0	0	0	113.4	E166 T167 Q168	E166-T170 CarbonylContact O-C 3.54Å; E166-T170 WeakPolarHBondContact O-CA 3.42Å; E166-T170 PolarHBondContact O-N 3.39Å; E166-T170 VanDerWaalsContact O-N 3.16Å; T167-T170 PolarHBondContact O-N 3.34Å; Q168-T170 VanDerWaalsContact C-N 3.28Å
171	I	95.6	Very high	93.6	Very high	72 Å²	72	64.1 Å²	64.1	37%	0.369	35%	0.348	S	S	.	.			trans	-75.6	-48.8	174.8	-56.7	175.8	0	0	0	109.9	L165 E166 V169 Y173	L165-I171 HydrophobicContact CD2-CD1 3.76Å; E166-I171 PolarHBondContact O-N 2.69Å; V169-I171 VanDerWaalsContact C-N 3.29Å; V169-I171 HydrophobicContact CB-CD1 4.3Å; V169-I171 HydrophobicContact CB-CG1 4.06Å; V169-I171 HydrophobicContact CG1-CD1 4.1Å; V169-I171 HydrophobicContact CG1-CG1 3.85Å; V169-I171 PolarHBondContact O-N 2.83Å; I171-Y173 HydrophobicContact CG2-CD1 3.81Å; I171-Y173 HydrophobicContact CG2-CD2 4.26Å; I171-Y173 HydrophobicContact CG2-CE1 3.39Å; I171-Y173 HydrophobicContact CG2-CE2 3.88Å; I171-Y173 HydrophobicContact CG2-CG 4.22Å; I171-Y173 VanDerWaalsContact CG2-CZ 3.42Å
172	G	90.1	Very high	93.4	Very high	55 Å²	55	62 Å²	62	57%	0.567	34%	0.34	S	S	*	.			trans	52.1	62.6	173.6	0	0	0	0	0	114.7	E166 G174	E166-G172 PolarHBondContact O-N 3.33Å; G172-G174 PolarHBondContact O-N 3.42Å
173	Y	91.9	Very high	93.3	Very high	165 Å²	165	62.7 Å²	62.7	65%	0.647	36%	0.355	S	S	*	.			trans	-59.7	-21.2	179.6	-64.5	-58	0	0	0	113.7	E166 I171 F175	E166-Y173 VanDerWaalsContact CD-CD2 3.44Å; E166-Y173 HydrophobicContact CG-CD2 3.64Å; E166-Y173 HydrophobicContact CG-CE2 3.9Å; I171-Y173 HydrophobicContact CG2-CD1 3.81Å; I171-Y173 HydrophobicContact CG2-CD2 4.26Å; I171-Y173 HydrophobicContact CG2-CE1 3.39Å; I171-Y173 HydrophobicContact CG2-CE2 3.88Å; I171-Y173 HydrophobicContact CG2-CG 4.22Å; I171-Y173 VanDerWaalsContact CG2-CZ 3.42Å; Y173-F175 VanDerWaalsContact C-N 3.29Å; Y173-F175 PolarHBondContact O-N 3.47Å
174	G	89.1	Confident	93.1	Very high	53 Å²	53	67.1 Å²	67.1	55%	0.546	38%	0.382	S	S	.	.	S	Bend	trans	85.3	-7.1	177	0	0	0	0	0	114.7	G172 R176	G172-G174 PolarHBondContact O-N 3.42Å; G174-R176 VanDerWaalsContact C-N 3.3Å
175	F	91.9	Very high	93	Very high	122 Å²	122	67.1 Å²	67.1	54%	0.535	38%	0.382	S	S	.	.	S	Bend	trans	-69.8	-28.3	173.6	-177	-105.3	0	0	0	112.8	N153 Y173	N153-F175 HydrophobicContact CB-CD1 4.2Å; N153-F175 HydrophobicContact CB-CE1 3.7Å; N153-F175 HydrophobicContact CB-CZ 4.05Å; N153-F175 PolarHBondContact ND2-O 2.78Å; Y173-F175 VanDerWaalsContact C-N 3.29Å; Y173-F175 PolarHBondContact O-N 3.47Å
176	R	93.1	Very high	92.9	Very high	45 Å²	45	68.5 Å²	68.5	17%	0.17	39%	0.389	C	S	.	.	S	Bend	trans	-118.8	116.6	174.3	-63.4	175.6	-170.2	89.6	8.4	107.6	E152 N153 F163 E166 G174	E152-R176 WeakPolarHBondContact O-CA 3.34Å; N153-R176 HydrophobicContact CB-CG 4.26Å; F163-R176 HydrophobicContact CB-CB 4.45Å; F163-R176 HydrophobicContact CD2-CB 3.54Å; F163-R176 HydrophobicContact CE2-CB 4.22Å; F163-R176 WeakPolarHBondContact CE2-O 2.9Å; F163-R176 HydrophobicContact CG-CB 4.31Å; E166-R176 IonicContact OE1-NH1 2.75Å; E166-R176 PolarHBondContact OE1-NH1 2.94Å; G174-R176 VanDerWaalsContact C-N 3.3Å
177	C	92.5	Very high	92.9	Very high	66 Å²	66	75 Å²	75	45%	0.446	42%	0.418	S	S	.	.			trans	-132	143	-174.1	-164.6	0	0	0	0	110.6	V151 E152	V151-C177 CarbonylContact C-O 3.58Å; V151-C177 VanDerWaalsContact CA-O 3.31Å; V151-C177 WeakPolarHBondContact CA-O 3.43Å; V151-C177 WeakPolarHBondContact CG1-O 3.32Å; E152-C177 PolarHBondContact N-O 2.9Å
178	V	93.8	Very high	93	Very high	34 Å²	34	74.7 Å²	74.7	21%	0.206	42%	0.415	C	S	.	.	B	Isolated β-bridge	trans	-77.6	137.4	175.2	-174.4	0	0	0	0	109.1	W128 V151 F163 A185 L189	W128-V178 HydrophobicContact CH2-CG2 4.1Å; V151-V178 HydrophobicContact CG2-CG2 4.22Å; F163-V178 HydrophobicContact CE1-CG2 4.12Å; F163-V178 HydrophobicContact CE2-CG2 4.41Å; F163-V178 HydrophobicContact CZ-CG2 3.46Å; F163-V178 VanDerWaalsContact CZ-CG2 3.46Å; V178-A185 HydrophobicContact CG1-CB 4.04Å; V178-L189 HydrophobicContact CG2-CD2 4.17Å
179	T	92.3	Very high	93	Very high	28 Å²	28	76.3 Å²	76.3	17%	0.172	42%	0.424	C	S	.	.			trans	-98.9	164.6	174.3	71.7	0	0	0	0	111.1	P149 C150 E152 Q181	P149-T179 WeakPolarHBondContact O-CB 3.38Å; P149-T179 WeakPolarHBondContact O-CG2 3.02Å; P149-T179 PolarHBondContact O-OG1 2.78Å; C150-T179 PolarHBondContact O-N 2.64Å; C150-T179 PolarHBondContact O-OG1 3.48Å; E152-T179 HydrophobicContact CG-CG2 4.1Å; T179-Q181 PolarHBondContact O-N 2.83Å
180	E	91	Very high	93.1	Very high	187 Å²	187	77.6 Å²	77.6	87%	0.874	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-3.4	179.2	-61.9	178.9	-170.1	0	0	113.5	C182	E180-C182 PolarHBondContact O-N 2.83Å
181	Q	89.5	Confident	93.2	Very high	120 Å²	120	76 Å²	76	56%	0.561	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-37.4	-171.2	-169.7	65.9	8.1	0	0	113	T179	T179-Q181 PolarHBondContact O-N 2.83Å
182	C	91.8	Very high	93.3	Very high	12 Å²	12	72.6 Å²	72.6	8%	0.081	39%	0.393	C	S	.	.			trans	-115.1	105	-167.7	-56.3	0	0	0	0	112	C150 E180 T184 A185 I186	C150-C182 WeakPolarHBondContact CA-SG 3.34Å; C150-C182 HydrophobicContact CB-CB 3.62Å; C150-C182 WeakPolarHBondContact CB-SG 3.3Å; C150-C182 WeakPolarHBondContact SG-CB 3.28Å; C150-C182 CovalentContact SG-SG 2.02Å; C150-C182 PolarHBondContact SG-SG 3.14Å; E180-C182 PolarHBondContact O-N 2.83Å; C182-T184 PolarHBondContact O-N 3.43Å; C182-A185 HydrophobicContact CB-CB 3.86Å; C182-A185 WeakPolarHBondContact O-CB 3.35Å; C182-A185 PolarHBondContact O-N 3.35Å; C182-I186 PolarHBondContact O-N 3.23Å
183	A	92.9	Very high	93.5	Very high	79 Å²	79	72.4 Å²	72.4	65%	0.653	38%	0.383	S	S	*	.	H	α-helix	trans	-57.8	-35	176.5	0	0	0	0	0	112.9	A185 I186 F187	A183-A185 VanDerWaalsContact C-N 3.32Å; A183-A185 PolarHBondContact O-N 3.34Å; A183-I186 PolarHBondContact O-N 2.78Å; A183-F187 PolarHBondContact O-N 3.45Å
184	T	92.7	Very high	93.7	Very high	100 Å²	100	69.4 Å²	69.4	61%	0.613	38%	0.377	S	S	*	.	H	α-helix	trans	-62.2	-38.4	175.6	-49.4	0	0	0	0	112.2	V131 C182 L188	V131-T184 HydrophobicContact CG2-CG2 4.31Å; C182-T184 PolarHBondContact O-N 3.43Å; T184-L188 VanDerWaalsContact O-CB 3.31Å; T184-L188 WeakPolarHBondContact O-CB 3.42Å; T184-L188 PolarHBondContact O-N 2.9Å
185	A	93.8	Very high	94	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-66.4	-43.6	176.6	0	0	0	0	0	111	W128 V131 C150 V178 C182 A183 F187 L188 L189	W128-A185 HydrophobicContact CH2-CB 4.03Å; W128-A185 VanDerWaalsContact CH2-O 3.23Å; W128-A185 WeakPolarHBondContact CH2-O 3.11Å; W128-A185 HydrophobicContact CZ3-CB 3.67Å; V131-A185 HydrophobicContact CG1-CB 4.47Å; C150-A185 HydrophobicContact CB-CB 4.25Å; V178-A185 HydrophobicContact CG1-CB 4.04Å; C182-A185 HydrophobicContact CB-CB 3.86Å; C182-A185 WeakPolarHBondContact O-CB 3.35Å; C182-A185 PolarHBondContact O-N 3.35Å; A183-A185 VanDerWaalsContact C-N 3.32Å; A183-A185 PolarHBondContact O-N 3.34Å; A185-F187 PolarHBondContact O-N 3.43Å; A185-L188 PolarHBondContact O-N 3.32Å; A185-L189 WeakPolarHBondContact O-CB 3.43Å; A185-L189 PolarHBondContact O-N 3.43Å
186	I	95.1	Very high	94.1	Very high	69 Å²	69	64.4 Å²	64.4	35%	0.354	35%	0.345	S	S	.	.	H	α-helix	trans	-61.5	-45.7	177	-60.9	170.9	0	0	0	110.8	C182 A183 L188 L189 I190	C182-I186 PolarHBondContact O-N 3.23Å; A183-I186 PolarHBondContact O-N 2.78Å; I186-L188 PolarHBondContact O-N 3.48Å; I186-L189 WeakPolarHBondContact O-CB 3.11Å; I186-L189 PolarHBondContact O-N 3.06Å; I186-I190 HydrophobicContact CG2-CD1 4.01Å; I186-I190 WeakPolarHBondContact O-CG1 3.23Å; I186-I190 PolarHBondContact O-N 3.35Å
187	F	95.6	Very high	94.2	Very high	142 Å²	142	66.7 Å²	66.7	62%	0.623	36%	0.363	S	S	*	.	H	α-helix	trans	-62.3	-44	176.6	-179.9	-95.8	0	0	0	112.1	A183 A185 L189 I190 F191	A183-F187 PolarHBondContact O-N 3.45Å; A185-F187 PolarHBondContact O-N 3.43Å; F187-L189 VanDerWaalsContact C-N 3.33Å; F187-L189 PolarHBondContact O-N 3.48Å; F187-I190 PolarHBondContact O-N 2.96Å; F187-F191 WeakPolarHBondContact O-CB 3.34Å; F187-F191 PolarHBondContact O-N 3.36Å
188	L	96.1	Very high	94.3	Very high	16 Å²	16	67.6 Å²	67.6	8%	0.084	37%	0.367	C	S	.	.	H	α-helix	trans	-61.3	-42	177.7	-174.8	62.7	0	0	0	111.5	F124 L127 W128 V131 T184 A185 I186 F191 Q192	F124-L188 HydrophobicContact CD1-CD1 3.87Å; F124-L188 HydrophobicContact CE1-CD1 3.85Å; L127-L188 HydrophobicContact CB-CD1 4.07Å; L127-L188 HydrophobicContact CB-CD2 3.87Å; L127-L188 HydrophobicContact CD1-CD1 3.74Å; W128-L188 HydrophobicContact CD2-CD2 3.63Å; W128-L188 HydrophobicContact CD2-CG 4.45Å; W128-L188 HydrophobicContact CE3-CD2 3.92Å; W128-L188 HydrophobicContact CG-CD2 4.07Å; W128-L188 HydrophobicContact CH2-CB 4.3Å; W128-L188 HydrophobicContact CH2-CD2 4.29Å; W128-L188 HydrophobicContact CH2-CG 4.46Å; W128-L188 HydrophobicContact CZ2-CB 4.2Å; W128-L188 HydrophobicContact CZ2-CD2 4Å; W128-L188 HydrophobicContact CZ2-CG 3.98Å; W128-L188 HydrophobicContact CZ3-CD2 4.25Å; V131-L188 HydrophobicContact CG2-CD2 4.13Å; T184-L188 VanDerWaalsContact O-CB 3.31Å; T184-L188 WeakPolarHBondContact O-CB 3.42Å; T184-L188 PolarHBondContact O-N 2.9Å; A185-L188 PolarHBondContact O-N 3.32Å; I186-L188 PolarHBondContact O-N 3.48Å; L188-F191 PolarHBondContact O-N 2.83Å; L188-Q192 WeakPolarHBondContact O-CB 3.1Å; L188-Q192 PolarHBondContact O-N 3.14Å
189	L	95.8	Very high	94.2	Very high	52 Å²	52	68.1 Å²	68.1	27%	0.272	37%	0.37	S	S	.	.	H	α-helix	trans	-59.1	-48.4	174.9	175.8	66.1	0	0	0	111.8	W128 T167 V178 A185 I186 F187 S193	W128-L189 HydrophobicContact CH2-CB 4.23Å; W128-L189 HydrophobicContact CZ2-CB 4.15Å; T167-L189 HydrophobicContact CG2-CD1 3.34Å; V178-L189 HydrophobicContact CG2-CD2 4.17Å; A185-L189 WeakPolarHBondContact O-CB 3.43Å; A185-L189 PolarHBondContact O-N 3.43Å; I186-L189 WeakPolarHBondContact O-CB 3.11Å; I186-L189 PolarHBondContact O-N 3.06Å; F187-L189 VanDerWaalsContact C-N 3.33Å; F187-L189 PolarHBondContact O-N 3.48Å; L189-S193 WeakPolarHBondContact O-CB 3.13Å; L189-S193 PolarHBondContact O-N 3.32Å; L189-S193 PolarHBondContact O-OG 3.15Å
190	I	96.2	Very high	94.2	Very high	90 Å²	90	70.8 Å²	70.8	46%	0.462	38%	0.383	S	S	.	.	H	α-helix	trans	-62.4	-48.7	178.9	-67.5	165.6	0	0	0	110.1	I186 F187 Q192 S193 I194	I186-I190 HydrophobicContact CG2-CD1 4.01Å; I186-I190 WeakPolarHBondContact O-CG1 3.23Å; I186-I190 PolarHBondContact O-N 3.35Å; F187-I190 PolarHBondContact O-N 2.96Å; I190-Q192 PolarHBondContact O-N 3.18Å; I190-S193 PolarHBondContact O-N 3.28Å; I190-I194 HydrophobicContact CG2-CD1 3.85Å; I190-I194 WeakPolarHBondContact O-CG1 3.48Å; I190-I194 PolarHBondContact O-N 3.26Å
191	F	96.4	Very high	94.4	Very high	90 Å²	90	65.2 Å²	65.2	40%	0.395	37%	0.365	S	S	.	.	H	α-helix	trans	-62.4	-44.3	-178.9	-177.9	-111.1	0	0	0	112.1	F124 F187 L188 S193 I194 L195	F124-F191 AromaticContact CE1-CD1 3.84Å; F124-F191 HydrophobicContact CE1-CD1 3.84Å; F124-F191 HydrophobicContact CE1-CE1 4.29Å; F124-F191 AromaticContact CZ-CD1 3.81Å; F124-F191 HydrophobicContact CZ-CD1 3.81Å; F124-F191 AromaticContact CZ-CE1 3.96Å; F124-F191 HydrophobicContact CZ-CE1 3.96Å; F187-F191 WeakPolarHBondContact O-CB 3.34Å; F187-F191 PolarHBondContact O-N 3.36Å; L188-F191 PolarHBondContact O-N 2.83Å; F191-S193 VanDerWaalsContact C-N 3.34Å; F191-S193 PolarHBondContact O-N 2.95Å; F191-I194 PolarHBondContact O-N 2.89Å; F191-L195 HydrophobicContact CD1-CD1 3.95Å; F191-L195 HydrophobicContact CD2-CD1 4.41Å; F191-L195 HydrophobicContact CE1-CD1 3.33Å; F191-L195 HydrophobicContact CE1-CG 4.44Å; F191-L195 HydrophobicContact CE2-CD1 3.85Å; F191-L195 HydrophobicContact CE2-CG 4.26Å; F191-L195 HydrophobicContact CG-CD1 4.46Å; F191-L195 HydrophobicContact CZ-CD1 3.28Å; F191-L195 HydrophobicContact CZ-CG 4.17Å; F191-L195 PolarHBondContact O-N 2.66Å
192	Q	97.1	Very high	94.5	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-61.2	-42.5	175.6	-176.9	173.8	9.6	0	0	112	F124 S164 T167 Q168 L188 I190 L195 G196	F124-Q192 HydrophobicContact CB-CG 4.36Å; F124-Q192 HydrophobicContact CD1-CB 3.75Å; F124-Q192 HydrophobicContact CD1-CG 3.82Å; F124-Q192 HydrophobicContact CD2-CB 4.49Å; F124-Q192 HydrophobicContact CD2-CG 3.88Å; F124-Q192 HydrophobicContact CE1-CB 3.59Å; F124-Q192 HydrophobicContact CE1-CG 4.03Å; F124-Q192 HydrophobicContact CE2-CB 4.36Å; F124-Q192 HydrophobicContact CE2-CG 4.09Å; F124-Q192 HydrophobicContact CG-CB 4.22Å; F124-Q192 HydrophobicContact CG-CG 3.75Å; F124-Q192 HydrophobicContact CZ-CB 3.92Å; F124-Q192 HydrophobicContact CZ-CG 4.16Å; S164-Q192 PolarHBondContact O-NE2 3.39Å; S164-Q192 PolarHBondContact OG-NE2 3.14Å; S164-Q192 VanDerWaalsContact OG-NE2 3.14Å; T167-Q192 HydrophobicContact CG2-CG 4.46Å; Q168-Q192 HydrophobicContact CB-CG 4.25Å; Q168-Q192 HydrophobicContact CG-CG 4.35Å; L188-Q192 WeakPolarHBondContact O-CB 3.1Å; L188-Q192 PolarHBondContact O-N 3.14Å; I190-Q192 PolarHBondContact O-N 3.18Å; Q192-L195 PolarHBondContact O-N 3.05Å; Q192-G196 PolarHBondContact O-N 3.37Å
193	S	95.7	Very high	94.5	Very high	50 Å²	50	65.4 Å²	65.4	35%	0.35	36%	0.364	S	S	.	.	H	α-helix	trans	-64	-46	179.7	-59.6	0	0	0	0	111.6	L189 I190 F191 G196 V197	L189-S193 WeakPolarHBondContact O-CB 3.13Å; L189-S193 PolarHBondContact O-N 3.32Å; L189-S193 PolarHBondContact O-OG 3.15Å; I190-S193 PolarHBondContact O-N 3.28Å; F191-S193 VanDerWaalsContact C-N 3.34Å; F191-S193 PolarHBondContact O-N 2.95Å; S193-G196 PolarHBondContact O-N 3.08Å; S193-V197 WeakPolarHBondContact O-CG2 3.22Å; S193-V197 PolarHBondContact O-N 2.89Å; S193-V197 VanDerWaalsContact O-N 3.13Å
194	I	96.4	Very high	94.5	Very high	103 Å²	103	64.9 Å²	64.9	53%	0.528	36%	0.355	S	S	.	.	H	α-helix	trans	-61.9	-49	177.8	-67.3	169.1	0	0	0	110.6	I190 F191 G196 V197 V198	I190-I194 HydrophobicContact CG2-CD1 3.85Å; I190-I194 WeakPolarHBondContact O-CG1 3.48Å; I190-I194 PolarHBondContact O-N 3.26Å; F191-I194 PolarHBondContact O-N 2.89Å; I194-G196 VanDerWaalsContact C-N 3.34Å; I194-G196 PolarHBondContact O-N 2.84Å; I194-V197 PolarHBondContact O-N 2.54Å; I194-V198 WeakPolarHBondContact O-CG2 3.37Å; I194-V198 PolarHBondContact O-N 3.07Å
195	L	94.9	Very high	94.5	Very high	63 Å²	63	61.6 Å²	61.6	33%	0.33	34%	0.341	S	S	.	.	H	α-helix	trans	-64.4	-37.9	179.3	-78.4	178.7	0	0	0	112.7	F124 F191 Q192 V197 V198 V199	F124-L195 HydrophobicContact CE2-CD1 4.29Å; F124-L195 HydrophobicContact CZ-CD1 3.88Å; F191-L195 HydrophobicContact CD1-CD1 3.95Å; F191-L195 HydrophobicContact CD2-CD1 4.41Å; F191-L195 HydrophobicContact CE1-CD1 3.33Å; F191-L195 HydrophobicContact CE1-CG 4.44Å; F191-L195 HydrophobicContact CE2-CD1 3.85Å; F191-L195 HydrophobicContact CE2-CG 4.26Å; F191-L195 HydrophobicContact CG-CD1 4.46Å; F191-L195 HydrophobicContact CZ-CD1 3.28Å; F191-L195 HydrophobicContact CZ-CG 4.17Å; F191-L195 PolarHBondContact O-N 2.66Å; Q192-L195 PolarHBondContact O-N 3.05Å; L195-V197 PolarHBondContact O-N 3.02Å; L195-V198 PolarHBondContact O-N 3.01Å; L195-V199 WeakPolarHBondContact O-CG2 3.49Å; L195-V199 PolarHBondContact O-N 3.39Å
196	G	94.7	Very high	94.4	Very high	7 Å²	7	61.6 Å²	61.6	7%	0.072	34%	0.341	C	S	.	.	H	α-helix	trans	-57.4	-47.2	175.1	0	0	0	0	0	112.2	Q192 S193 I194 V199 N200	Q192-G196 PolarHBondContact O-N 3.37Å; S193-G196 PolarHBondContact O-N 3.08Å; I194-G196 VanDerWaalsContact C-N 3.34Å; I194-G196 PolarHBondContact O-N 2.84Å; G196-V199 PolarHBondContact O-N 3.2Å; G196-N200 WeakPolarHBondContact O-CB 3.3Å; G196-N200 PolarHBondContact O-N 3.02Å
197	V	95.1	Very high	94.3	Very high	92 Å²	92	59.9 Å²	59.9	56%	0.558	33%	0.332	S	S	*	.	H	α-helix	trans	-64.3	-41	177.4	174.6	0	0	0	0	111.7	S193 I194 L195 N200 S201	S193-V197 WeakPolarHBondContact O-CG2 3.22Å; S193-V197 PolarHBondContact O-N 2.89Å; S193-V197 VanDerWaalsContact O-N 3.13Å; I194-V197 PolarHBondContact O-N 2.54Å; L195-V197 PolarHBondContact O-N 3.02Å; V197-N200 PolarHBondContact O-N 3.26Å; V197-S201 WeakPolarHBondContact O-CB 2.99Å; V197-S201 PolarHBondContact O-N 3.48Å; V197-S201 PolarHBondContact O-OG 3.48Å
198	V	94.1	Very high	94.1	Very high	86 Å²	86	58.6 Å²	58.6	52%	0.521	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-47.9	177.7	170.5	0	0	0	0	111.3	I194 L195 N200 S201 F202	I194-V198 WeakPolarHBondContact O-CG2 3.37Å; I194-V198 PolarHBondContact O-N 3.07Å; L195-V198 PolarHBondContact O-N 3.01Å; V198-N200 PolarHBondContact O-N 3.09Å; V198-S201 PolarHBondContact O-N 2.75Å; V198-F202 PolarHBondContact O-N 2.93Å
199	V	92.1	Very high	93.7	Very high	45 Å²	45	59.3 Å²	59.3	27%	0.273	34%	0.339	S	S	.	.	H	α-helix	trans	-63.3	-43.6	179.1	173.4	0	0	0	0	111	F117 L195 G196 F202 M203	F117-V199 HydrophobicContact CD1-CG1 4.31Å; F117-V199 HydrophobicContact CE1-CG1 3.8Å; F117-V199 HydrophobicContact CZ-CG1 3.94Å; L195-V199 WeakPolarHBondContact O-CG2 3.49Å; L195-V199 PolarHBondContact O-N 3.39Å; G196-V199 PolarHBondContact O-N 3.2Å; V199-F202 PolarHBondContact O-N 2.93Å; V199-M203 PolarHBondContact O-N 2.69Å
200	N	92.6	Very high	93.4	Very high	83 Å²	83	58.3 Å²	58.3	44%	0.444	33%	0.333	S	S	.	.	H	α-helix	trans	-62.4	-43.7	177.2	-171.9	44.4	0	0	0	112.1	G196 V197 V198 F202 M203 C204	G196-N200 WeakPolarHBondContact O-CB 3.3Å; G196-N200 PolarHBondContact O-N 3.02Å; V197-N200 PolarHBondContact O-N 3.26Å; V198-N200 PolarHBondContact O-N 3.09Å; N200-F202 VanDerWaalsContact C-N 3.33Å; N200-F202 PolarHBondContact O-N 3.29Å; N200-M203 PolarHBondContact O-N 2.73Å; N200-C204 PolarHBondContact O-N 2.81Å
201	S	93.8	Very high	93	Very high	70 Å²	70	59.4 Å²	59.4	49%	0.49	34%	0.338	S	S	.	.	H	α-helix	trans	-62.1	-41.8	177.6	-58.7	0	0	0	0	111.7	V197 V198 C204 G205	V197-S201 WeakPolarHBondContact O-CB 2.99Å; V197-S201 PolarHBondContact O-N 3.48Å; V197-S201 PolarHBondContact O-OG 3.48Å; V198-S201 PolarHBondContact O-N 2.75Å; S201-C204 PolarHBondContact O-N 2.77Å; S201-G205 PolarHBondContact O-N 2.61Å
202	F	91.5	Very high	92.4	Very high	88 Å²	88	58.2 Å²	58.2	39%	0.386	34%	0.341	S	S	.	.	H	α-helix	trans	-64.1	-42.4	176.3	-175.2	-99.9	0	0	0	112.3	W98 F113 V198 V199 N200 G205 A206	W98-F202 AromaticContact CE3-CE2 3.69Å; W98-F202 HydrophobicContact CE3-CE2 3.69Å; W98-F202 HydrophobicContact CE3-CZ 4.07Å; W98-F202 HydrophobicContact CZ3-CD2 4.24Å; W98-F202 AromaticContact CZ3-CE2 3.7Å; W98-F202 HydrophobicContact CZ3-CE2 3.7Å; W98-F202 HydrophobicContact CZ3-CZ 4.19Å; F113-F202 AromaticContact CE1-CD1 3.91Å; F113-F202 HydrophobicContact CE1-CD1 3.91Å; F113-F202 HydrophobicContact CE1-CE1 4.14Å; F113-F202 HydrophobicContact CZ-CD1 4.39Å; F113-F202 HydrophobicContact CZ-CE1 4.37Å; V198-F202 PolarHBondContact O-N 2.93Å; V199-F202 PolarHBondContact O-N 2.93Å; N200-F202 VanDerWaalsContact C-N 3.33Å; N200-F202 PolarHBondContact O-N 3.29Å; F202-G205 PolarHBondContact O-N 3.14Å; F202-A206 VanDerWaalsContact O-CB 3.27Å; F202-A206 WeakPolarHBondContact O-CB 3.21Å; F202-A206 PolarHBondContact O-N 2.84Å
203	M	92.4	Very high	91.6	Very high	48 Å²	48	61.9 Å²	61.9	24%	0.236	36%	0.355	C	S	.	.	H	α-helix	trans	-58.8	-53.4	174.6	178.2	-165.4	172.7	0	0	111.3	F113 F117 V199 N200 G205 A206 I207	F113-M203 HydrophobicContact CD1-CB 3.92Å; F113-M203 HydrophobicContact CD1-CG 4Å; F113-M203 HydrophobicContact CD2-CG 4.1Å; F113-M203 HydrophobicContact CE1-CB 3.89Å; F113-M203 HydrophobicContact CE1-CG 4.24Å; F113-M203 HydrophobicContact CE2-CG 4.3Å; F113-M203 HydrophobicContact CG-CB 4.41Å; F113-M203 HydrophobicContact CG-CG 3.97Å; F113-M203 HydrophobicContact CZ-CB 4.32Å; F113-M203 HydrophobicContact CZ-CG 4.4Å; F117-M203 HydrophobicContact CE2-CB 4.46Å; F117-M203 HydrophobicContact CE2-CG 4.41Å; F117-M203 HydrophobicContact CE2-SD 3.45Å; F117-M203 WeakPolarHBondContact CE2-SD 3.48Å; F117-M203 HydrophobicContact CZ-CB 4.47Å; F117-M203 HydrophobicContact CZ-SD 3.85Å; V199-M203 PolarHBondContact O-N 2.69Å; N200-M203 PolarHBondContact O-N 2.73Å; M203-G205 VanDerWaalsContact C-N 3.34Å; M203-G205 PolarHBondContact O-N 3.01Å; M203-A206 PolarHBondContact O-N 3.07Å; M203-I207 HydrophobicContact CE-CD1 3.47Å; M203-I207 VanDerWaalsContact CE-CD1 3.47Å; M203-I207 HydrophobicContact CG-CD1 3.7Å; M203-I207 HydrophobicContact CG-CG1 4.43Å; M203-I207 WeakPolarHBondContact O-CB 3.45Å; M203-I207 VanDerWaalsContact O-CG1 3.31Å; M203-I207 WeakPolarHBondContact O-CG1 3.25Å; M203-I207 PolarHBondContact O-N 3.23Å; M203-I207 HydrophobicContact SD-CD1 4.38Å
204	C	92.9	Very high	90.5	Very high	69 Å²	69	60.9 Å²	60.9	47%	0.466	35%	0.348	S	S	.	.	H	α-helix	trans	-57.6	-46.4	179.5	-75.1	0	0	0	0	111.4	N200 S201 I207 L208	N200-C204 PolarHBondContact O-N 2.81Å; S201-C204 PolarHBondContact O-N 2.77Å; C204-I207 PolarHBondContact O-N 3.34Å; C204-L208 VanDerWaalsContact O-CB 3.27Å; C204-L208 WeakPolarHBondContact O-CB 3.48Å; C204-L208 PolarHBondContact O-N 2.93Å
205	G	92.8	Very high	89.4	Confident	30 Å²	30	62.2 Å²	62.2	31%	0.309	35%	0.349	S	S	.	.	H	α-helix	trans	-60.2	-46.6	176.6	0	0	0	0	0	112.8	S201 F202 M203 I207 L208 A209	S201-G205 PolarHBondContact O-N 2.61Å; F202-G205 PolarHBondContact O-N 3.14Å; M203-G205 VanDerWaalsContact C-N 3.34Å; M203-G205 PolarHBondContact O-N 3.01Å; G205-I207 PolarHBondContact O-N 3.3Å; G205-L208 PolarHBondContact O-N 3.38Å; G205-A209 WeakPolarHBondContact O-CB 3.3Å; G205-A209 PolarHBondContact O-N 2.91Å
206	A	91.7	Very high	88.4	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-69.4	-30.5	-179.7	0	0	0	0	0	113.5	W98 V101 K109 F113 F202 M203 K210	W98-A206 HydrophobicContact CH2-CB 4.45Å; W98-A206 HydrophobicContact CZ3-CB 4.16Å; V101-A206 HydrophobicContact CG1-CB 4.23Å; K109-A206 PolarHBondContact NZ-O 2.91Å; F113-A206 HydrophobicContact CE2-CB 4.28Å; F113-A206 HydrophobicContact CZ-CB 3.73Å; F202-A206 VanDerWaalsContact O-CB 3.27Å; F202-A206 WeakPolarHBondContact O-CB 3.21Å; F202-A206 PolarHBondContact O-N 2.84Å; M203-A206 PolarHBondContact O-N 3.07Å; A206-K210 WeakPolarHBondContact O-CB 3.35Å; A206-K210 PolarHBondContact O-N 3.21Å
207	I	92.2	Very high	87.7	Confident	33 Å²	33	67.8 Å²	67.8	17%	0.169	37%	0.369	C	S	.	.	H	α-helix	trans	-72.9	-51.1	174	-71.2	174	0	0	0	109.7	W106 M110 M203 C204 G205 A209 K210 I211	W106-I207 HydrophobicContact CH2-CG2 4.29Å; W106-I207 HydrophobicContact CZ3-CG2 4.44Å; M110-I207 HydrophobicContact CE-CD1 4.13Å; M203-I207 HydrophobicContact CE-CD1 3.47Å; M203-I207 VanDerWaalsContact CE-CD1 3.47Å; M203-I207 HydrophobicContact CG-CD1 3.7Å; M203-I207 HydrophobicContact CG-CG1 4.43Å; M203-I207 WeakPolarHBondContact O-CB 3.45Å; M203-I207 VanDerWaalsContact O-CG1 3.31Å; M203-I207 WeakPolarHBondContact O-CG1 3.25Å; M203-I207 PolarHBondContact O-N 3.23Å; M203-I207 HydrophobicContact SD-CD1 4.38Å; C204-I207 PolarHBondContact O-N 3.34Å; G205-I207 PolarHBondContact O-N 3.3Å; I207-A209 PolarHBondContact O-N 3.25Å; I207-K210 PolarHBondContact O-N 3.15Å; I207-K210 VanDerWaalsContact O-N 3.13Å; I207-I211 HydrophobicContact CG2-CD1 3.7Å; I207-I211 HydrophobicContact CG2-CG1 4.43Å; I207-I211 WeakPolarHBondContact O-CG1 3.45Å; I207-I211 PolarHBondContact O-N 3.08Å
208	L	90.9	Very high	86.9	Confident	115 Å²	115	64.5 Å²	64.5	60%	0.602	35%	0.351	S	S	*	.	H	α-helix	trans	-57.8	-49.9	179.5	-178.4	62	0	0	0	111	C204 G205 K210 I211 S212	C204-L208 VanDerWaalsContact O-CB 3.27Å; C204-L208 WeakPolarHBondContact O-CB 3.48Å; C204-L208 PolarHBondContact O-N 2.93Å; G205-L208 PolarHBondContact O-N 3.38Å; L208-K210 VanDerWaalsContact C-N 3.26Å; L208-K210 PolarHBondContact O-N 3.31Å; L208-I211 PolarHBondContact O-N 2.76Å; L208-I211 VanDerWaalsContact O-N 3.12Å; L208-S212 PolarHBondContact O-N 2.93Å; L208-S212 PolarHBondContact O-OG 3.04Å; L208-S212 VanDerWaalsContact O-OG 3.06Å
209	A	89.5	Confident	86.3	Confident	32 Å²	32	68.4 Å²	68.4	26%	0.264	36%	0.361	S	S	.	.	H	α-helix	trans	-58.2	-36.6	177.8	0	0	0	0	0	112.6	W98 L102 G205 I207	W98-A209 HydrophobicContact CH2-CB 4.47Å; W98-A209 HydrophobicContact CZ2-CB 4.15Å; L102-A209 HydrophobicContact CD1-CB 4.38Å; L102-A209 HydrophobicContact CD2-CB 3.63Å; G205-A209 WeakPolarHBondContact O-CB 3.3Å; G205-A209 PolarHBondContact O-N 2.91Å; I207-A209 PolarHBondContact O-N 3.25Å
210	K	88.7	Confident	86	Confident	30 Å²	30	68.1 Å²	68.1	13%	0.13	36%	0.36	C	S	.	.	H	α-helix	trans	-73.5	-37.1	177	-171.7	175.8	-171.2	70.9	0	112.6	L102 L104 W106 K109 A206 I207 L208 S212 R213	L102-K210 PolarHBondContact O-NZ 3.12Å; L104-K210 VanDerWaalsContact O-CE 3.22Å; L104-K210 WeakPolarHBondContact O-CE 3.42Å; L104-K210 PolarHBondContact O-NZ 3Å; W106-K210 HydrophobicContact CD2-CD 4.05Å; W106-K210 HydrophobicContact CE3-CD 4.29Å; W106-K210 HydrophobicContact CH2-CB 4.29Å; W106-K210 HydrophobicContact CH2-CD 4.03Å; W106-K210 HydrophobicContact CH2-CG 4.28Å; W106-K210 HydrophobicContact CZ2-CB 4.32Å; W106-K210 HydrophobicContact CZ2-CD 3.76Å; W106-K210 HydrophobicContact CZ2-CG 3.88Å; W106-K210 HydrophobicContact CZ3-CD 4.28Å; K109-K210 HydrophobicContact CD-CD 4.01Å; A206-K210 WeakPolarHBondContact O-CB 3.35Å; A206-K210 PolarHBondContact O-N 3.21Å; I207-K210 PolarHBondContact O-N 3.15Å; I207-K210 VanDerWaalsContact O-N 3.13Å; L208-K210 VanDerWaalsContact C-N 3.26Å; L208-K210 PolarHBondContact O-N 3.31Å; K210-S212 VanDerWaalsContact C-N 3.32Å; K210-R213 PolarHBondContact O-N 2.88Å
211	I	87.1	Confident	85.8	Confident	113 Å²	113	64.7 Å²	64.7	58%	0.579	34%	0.341	S	S	*	.	H	α-helix	trans	-65.7	-39.3	176.8	-68.8	170.8	0	0	0	110.3	W106 I207 L208 R213	W106-I211 HydrophobicContact CH2-CD1 4.36Å; W106-I211 HydrophobicContact CH2-CG1 3.82Å; W106-I211 HydrophobicContact CZ2-CG1 3.99Å; I207-I211 HydrophobicContact CG2-CD1 3.7Å; I207-I211 HydrophobicContact CG2-CG1 4.43Å; I207-I211 WeakPolarHBondContact O-CG1 3.45Å; I207-I211 PolarHBondContact O-N 3.08Å; L208-I211 PolarHBondContact O-N 2.76Å; L208-I211 VanDerWaalsContact O-N 3.12Å; I211-R213 PolarHBondContact O-N 2.81Å
212	S	84.6	Confident	85.7	Confident	66 Å²	66	63.4 Å²	63.4	46%	0.462	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-12.9	178.3	-58.2	0	0	0	0	114.1	L208 K210	L208-S212 PolarHBondContact O-N 2.93Å; L208-S212 PolarHBondContact O-OG 3.04Å; L208-S212 VanDerWaalsContact O-OG 3.06Å; K210-S212 VanDerWaalsContact C-N 3.32Å
213	R	79.8	Confident	85.8	Confident	76 Å²	76	60.3 Å²	60.3	29%	0.287	32%	0.317	S	S	.	.			trans	-70.6	128.1	178.5	-73.1	-172.9	178	-150.3	-7	111.3	D103 K210 I211 K215	D103-R213 IonicContact OD1-CZ 2.86Å; D103-R213 IonicContact OD1-NH1 2.81Å; D103-R213 PolarHBondContact OD1-NH1 2.79Å; D103-R213 IonicContact OD2-CZ 3.95Å; D103-R213 IonicContact OD2-NH1 2.76Å; D103-R213 PolarHBondContact OD2-NH1 3.42Å; K210-R213 PolarHBondContact O-N 2.88Å; I211-R213 PolarHBondContact O-N 2.81Å; R213-K215 PolarHBondContact O-N 2.79Å
214	P	72.6	Confident	85.9	Confident	30 Å²	30	58.1 Å²	58.1	20%	0.195	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	17.2	-176.6	32.9	-38.3	0	0	0	114.5	K216 R217 V330 A335	P214-K216 PolarHBondContact O-N 3.28Å; P214-R217 HydrophobicContact CB-CB 4.28Å; P214-R217 WeakPolarHBondContact O-CA 3.4Å; P214-R217 WeakPolarHBondContact O-CB 3.3Å; P214-R217 PolarHBondContact O-N 2.96Å; P214-V330 HydrophobicContact CB-CG2 4.04Å; P214-A335 HydrophobicContact CB-CB 4.41Å; P214-A335 HydrophobicContact CG-CB 3.75Å
215	K	73.2	Confident	85.9	Confident	130 Å²	130	61.8 Å²	61.8	57%	0.565	31%	0.314	S	S	*	.	H	α-helix	trans	-56.6	-31	-175.8	-71.2	-171.4	176.8	-175.6	0	113.4	D103 R213 R217	D103-K215 IonicContact OD1-NZ 3.57Å; D103-K215 PolarHBondContact OD1-NZ 2.88Å; R213-K215 PolarHBondContact O-N 2.79Å; K215-R217 VanDerWaalsContact C-N 3.34Å
216	K	74.8	Confident	86	Confident	174 Å²	174	62.5 Å²	62.5	76%	0.757	31%	0.311	S	S	*	.	H	α-helix	trans	-73.1	-26.8	175.3	-68.3	-173.8	179.8	179.7	0	112.6	P214 K219	P214-K216 PolarHBondContact O-N 3.28Å; K216-K219 PolarHBondContact O-N 3.19Å
217	R	79.1	Confident	86.2	Confident	14 Å²	14	62.5 Å²	62.5	5%	0.053	31%	0.311	C	S	.	.	H	α-helix	trans	-67.5	-39.5	178.9	-166.8	73.2	174	106.2	8.7	111.4	P214 K215 K219 T220 N244 R246 S248 V330	P214-R217 HydrophobicContact CB-CB 4.28Å; P214-R217 WeakPolarHBondContact O-CA 3.4Å; P214-R217 WeakPolarHBondContact O-CB 3.3Å; P214-R217 PolarHBondContact O-N 2.96Å; K215-R217 VanDerWaalsContact C-N 3.34Å; R217-K219 PolarHBondContact O-N 2.91Å; R217-K219 VanDerWaalsContact O-N 3.14Å; R217-T220 PolarHBondContact NH1-OG1 2.93Å; R217-T220 WeakPolarHBondContact O-CB 3.49Å; R217-T220 PolarHBondContact O-N 3.4Å; R217-T220 PolarHBondContact O-OG1 2.81Å; R217-N244 PolarHBondContact NH1-OD1 3Å; R217-N244 PolarHBondContact NH2-OD1 2.96Å; R217-R246 VanDerWaalsContact NH1-CD 3.32Å; R217-S248 PolarHBondContact NH2-O 3.18Å; R217-S248 PolarHBondContact NH2-OG 3.4Å; R217-V330 HydrophobicContact CB-CG2 4.27Å; R217-V330 HydrophobicContact CG-CG1 4.12Å; R217-V330 HydrophobicContact CG-CG2 3.77Å
218	A	78.5	Confident	86.4	Confident	23 Å²	23	61 Å²	61	19%	0.19	30%	0.303	C	S	.	.	H	α-helix	trans	-53.2	-36.8	176.5	0	0	0	0	0	112.8	T220 I221 V339	A218-T220 VanDerWaalsContact C-N 3.26Å; A218-T220 PolarHBondContact O-N 3.29Å; A218-I221 PolarHBondContact O-N 3.42Å; A218-V339 HydrophobicContact CB-CG2 3.83Å
219	K	81.3	Confident	86.6	Confident	167 Å²	167	55.5 Å²	55.5	73%	0.726	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-18	178.1	-64.5	-171.2	174.5	-169.9	0	114.8	K216 R217 I221	K216-K219 PolarHBondContact O-N 3.19Å; R217-K219 PolarHBondContact O-N 2.91Å; R217-K219 VanDerWaalsContact O-N 3.14Å; K219-I221 VanDerWaalsContact C-N 3.28Å
220	T	86.3	Confident	86.8	Confident	40 Å²	40	54.2 Å²	54.2	25%	0.245	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-6.8	178.4	63.5	0	0	0	0	112.6	R217 A218 L245	R217-T220 PolarHBondContact NH1-OG1 2.93Å; R217-T220 WeakPolarHBondContact O-CB 3.49Å; R217-T220 PolarHBondContact O-N 3.4Å; R217-T220 PolarHBondContact O-OG1 2.81Å; A218-T220 VanDerWaalsContact C-N 3.26Å; A218-T220 PolarHBondContact O-N 3.29Å; T220-L245 VanDerWaalsContact O-CB 3.28Å; T220-L245 WeakPolarHBondContact O-CB 3.46Å; T220-L245 WeakPolarHBondContact O-CG 3.4Å; T220-L245 PolarHBondContact O-N 2.85Å
221	I	89.2	Confident	86.9	Confident	10 Å²	10	57.9 Å²	57.9	5%	0.051	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	125	171.9	-56.3	178.9	0	0	0	107.1	A218 K219 V242 A243 L250 L326 V339	A218-I221 PolarHBondContact O-N 3.42Å; K219-I221 VanDerWaalsContact C-N 3.28Å; I221-V242 HydrophobicContact CG2-CG2 3.78Å; I221-A243 WeakPolarHBondContact CA-O 3.45Å; I221-L250 HydrophobicContact CD1-CD2 3.96Å; I221-L326 HydrophobicContact CD1-CD2 3.81Å; I221-L326 HydrophobicContact CG2-CD2 3.65Å; I221-V339 HydrophobicContact CB-CG1 4.35Å; I221-V339 HydrophobicContact CB-CG2 4.16Å; I221-V339 HydrophobicContact CD1-CG2 3.95Å; I221-V339 HydrophobicContact CG1-CG2 4.47Å
222	T	90.3	Very high	86.8	Confident	43 Å²	43	57 Å²	57	26%	0.264	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136	-174.9	58.4	0	0	0	0	110.2	V242 A243 L245 F373	T222-V242 WeakPolarHBondContact O-CA 3.15Å; T222-A243 PolarHBondContact N-O 3.29Å; T222-A243 PolarHBondContact O-N 2.91Å; T222-L245 HydrophobicContact CG2-CD1 3.67Å; T222-L245 HydrophobicContact CG2-CG 4.31Å; T222-F373 WeakPolarHBondContact O-CZ 3.38Å
223	F	94	Very high	86.7	Confident	24 Å²	24	57.8 Å²	57.8	11%	0.105	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	158.5	170.6	-67.3	-85.3	0	0	0	111	I240 R241 V242 V324 L326 V339 T341 F373	F223-I240 HydrophobicContact CD1-CG2 4.14Å; F223-R241 CarbonylContact C-O 3.49Å; F223-R241 VanDerWaalsContact CA-O 3.26Å; F223-R241 WeakPolarHBondContact CA-O 3.42Å; F223-V242 HydrophobicContact CD1-CB 3.98Å; F223-V242 HydrophobicContact CD1-CG2 4.14Å; F223-V242 HydrophobicContact CE1-CB 4.04Å; F223-V242 HydrophobicContact CE1-CG2 3.93Å; F223-V242 HydrophobicContact CZ-CG2 4.4Å; F223-V324 HydrophobicContact CE1-CG1 4.01Å; F223-V324 HydrophobicContact CZ-CG1 4.45Å; F223-L326 HydrophobicContact CZ-CB 3.88Å; F223-V339 HydrophobicContact CE2-CB 4.31Å; F223-V339 HydrophobicContact CE2-CG1 3.88Å; F223-T341 HydrophobicContact CB-CG2 3.68Å; F223-T341 HydrophobicContact CD1-CG2 3.9Å; F223-T341 HydrophobicContact CD2-CG2 3.49Å; F223-T341 VanDerWaalsContact CD2-CG2 3.49Å; F223-T341 HydrophobicContact CE1-CG2 4.37Å; F223-T341 HydrophobicContact CE2-CG2 4Å; F223-T341 HydrophobicContact CG-CG2 3.41Å; F223-T341 VanDerWaalsContact CG-CG2 3.41Å; F223-T341 HydrophobicContact CZ-CG2 4.41Å; F223-F373 WeakPolarHBondContact O-CE1 3.36Å
224	S	94.8	Very high	86.9	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.007	29%	0.286	C	S	.	.			trans	-58.9	147.8	171.2	46.5	0	0	0	0	111.2	N226 R241 Y343 F354	S224-N226 VanDerWaalsContact C-N 3.3Å; S224-N226 VanDerWaalsContact CB-O 3.3Å; S224-N226 WeakPolarHBondContact CB-O 3.27Å; S224-N226 PolarHBondContact O-N 3.34Å; S224-N226 PolarHBondContact OG-O 3.31Å; S224-R241 PolarHBondContact N-O 3.13Å; S224-R241 PolarHBondContact OG-N 2.96Å; S224-Y343 WeakPolarHBondContact O-CE1 3.35Å; S224-Y343 PolarHBondContact O-OH 2.86Å; S224-F354 WeakPolarHBondContact OG-CZ 3.41Å
225	K	93.4	Very high	87.7	Confident	147 Å²	147	58.6 Å²	58.6	64%	0.639	30%	0.297	S	S	*	.	S	Bend	trans	-61.7	-42.4	176.2	-67.3	-177.3	178.7	-177.2	0	111.5	K74 S374	K74-K225 WeakPolarHBondContact CE-O 3.2Å; K74-K225 PolarHBondContact NZ-O 2.94Å; K225-S374 PolarHBondContact N-OG 3.11Å
226	N	95.1	Very high	88.6	Confident	45 Å²	45	52.4 Å²	52.4	24%	0.241	27%	0.27	C	S	.	.	S	Bend	trans	-112.9	149.9	-179.3	-60.3	79.9	0	0	0	110.4	S224 E347 L349 F354	S224-N226 VanDerWaalsContact C-N 3.3Å; S224-N226 VanDerWaalsContact CB-O 3.3Å; S224-N226 WeakPolarHBondContact CB-O 3.27Å; S224-N226 PolarHBondContact O-N 3.34Å; S224-N226 PolarHBondContact OG-O 3.31Å; N226-E347 VanDerWaalsContact CA-O 3.28Å; N226-E347 WeakPolarHBondContact CA-O 3.42Å; N226-E347 WeakPolarHBondContact CB-O 3.42Å; N226-E347 PolarHBondContact ND2-O 3.42Å; N226-L349 HydrophobicContact CB-CD1 3.87Å; N226-L349 HydrophobicContact CB-CG 4.13Å; N226-F354 WeakPolarHBondContact O-CZ 3.48Å
227	A	95.9	Very high	89.5	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	153.1	161.7	0	0	0	0	0	108	L238 I240 Y343 E347 V348 L349	A227-L238 HydrophobicContact CB-CD1 3.93Å; A227-I240 HydrophobicContact CB-CD1 4.2Å; A227-I240 HydrophobicContact CB-CG1 3.68Å; A227-Y343 HydrophobicContact CB-CD1 3.78Å; A227-Y343 HydrophobicContact CB-CE1 4.08Å; A227-Y343 HydrophobicContact CB-CG 4.02Å; A227-E347 PolarHBondContact N-O 2.87Å; A227-V348 HydrophobicContact CB-CG1 4.49Å; A227-V348 HydrophobicContact CB-CG2 4.3Å; A227-V348 CarbonylContact O-C 3.53Å; A227-V348 WeakPolarHBondContact O-CA 3.28Å; A227-L349 PolarHBondContact O-N 2.97Å
228	V	95.7	Very high	90.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	143.2	-179	-54.9	0	0	0	0	111.1	L238 L239 L349 Y352 F354 T376	V228-L238 CarbonylContact O-C 3.54Å; V228-L239 HydrophobicContact CG2-CB 3.85Å; V228-L239 HydrophobicContact CG2-CD1 4.04Å; V228-L239 PolarHBondContact N-O 3.14Å; V228-L239 PolarHBondContact O-N 2.92Å; V228-L349 CarbonylContact C-O 3.58Å; V228-L349 VanDerWaalsContact CA-O 3.26Å; V228-L349 WeakPolarHBondContact CA-O 3.49Å; V228-L349 HydrophobicContact CG1-CB 4.28Å; V228-Y352 VanDerWaalsContact CB-O 3.3Å; V228-Y352 WeakPolarHBondContact CB-O 3.28Å; V228-Y352 WeakPolarHBondContact CG2-O 3.42Å; V228-F354 HydrophobicContact CG1-CE1 4.12Å; V228-F354 HydrophobicContact CG1-CE2 4.49Å; V228-F354 HydrophobicContact CG1-CZ 4.09Å; V228-F354 HydrophobicContact CG2-CD2 3.79Å; V228-F354 HydrophobicContact CG2-CE2 3.6Å; V228-F354 HydrophobicContact CG2-CG 4.36Å; V228-F354 HydrophobicContact CG2-CZ 4.03Å; V228-T376 HydrophobicContact CG1-CG2 3.54Å
229	I	95.2	Very high	91.1	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	123.8	175.3	-64	172.5	0	0	0	108.2	L236 C237 L238 I301 L315 V348 L349 W350 G351 Y352	I229-L236 HydrophobicContact CG2-CD1 3.86Å; I229-L236 HydrophobicContact CG2-CD2 3.85Å; I229-L236 HydrophobicContact CG2-CG 3.7Å; I229-C237 WeakPolarHBondContact CA-O 3.12Å; I229-L238 HydrophobicContact CD1-CD1 4.15Å; I229-L238 HydrophobicContact CG1-CB 4.3Å; I229-L238 HydrophobicContact CG1-CD1 3.52Å; I229-I301 HydrophobicContact CG2-CD1 4.13Å; I229-L315 HydrophobicContact CD1-CD2 4.35Å; I229-V348 HydrophobicContact CD1-CG1 3.65Å; I229-V348 HydrophobicContact CG1-CG1 3.9Å; I229-L349 PolarHBondContact N-O 3.49Å; I229-W350 HydrophobicContact CB-CD2 4.24Å; I229-W350 HydrophobicContact CB-CE3 4.15Å; I229-W350 HydrophobicContact CD1-CD2 4.46Å; I229-W350 HydrophobicContact CD1-CE3 3.55Å; I229-W350 HydrophobicContact CD1-CZ3 3.78Å; I229-W350 HydrophobicContact CG1-CE3 4.44Å; I229-W350 HydrophobicContact CG2-CD2 4.01Å; I229-W350 HydrophobicContact CG2-CE3 3.97Å; I229-W350 HydrophobicContact CG2-CH2 4.36Å; I229-W350 HydrophobicContact CG2-CZ2 4.37Å; I229-W350 HydrophobicContact CG2-CZ3 4.16Å; I229-G351 PolarHBondContact O-N 3.13Å; I229-Y352 PolarHBondContact O-N 2.92Å
230	S	93.4	Very high	91.7	Very high	5 Å²	5	35.1 Å²	35.1	4%	0.035	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	164.2	176.5	63.4	0	0	0	0	113.4	C237 L239 Y352	S230-C237 PolarHBondContact N-O 3.32Å; S230-C237 PolarHBondContact O-N 2.9Å; S230-L239 WeakPolarHBondContact OG-CD1 3.26Å; S230-Y352 WeakPolarHBondContact CB-O 3.48Å
231	K	90.8	Very high	92.1	Very high	107 Å²	107	33.9 Å²	33.9	47%	0.465	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	123	177.8	-172.9	176.7	177.8	177.2	0	109.6	K235 P382 L388	K231-K235 CarbonylContact C-O 3.59Å; K231-K235 VanDerWaalsContact CA-O 3.32Å; K231-K235 WeakPolarHBondContact CA-O 3.44Å; K231-P382 HydrophobicContact CD-CG 4.43Å; K231-L388 HydrophobicContact CD-CD1 4.43Å
232	R	86.1	Confident	92.2	Very high	95 Å²	95	33.4 Å²	33.4	36%	0.358	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	129.7	176.6	-168	177	-170.7	-169.6	0.7	110.2	G234 K235 C237 D283 Y298	R232-G234 PolarHBondContact O-N 3.45Å; R232-G234 VanDerWaalsContact O-N 3.15Å; R232-K235 PolarHBondContact N-O 2.7Å; R232-K235 PolarHBondContact O-N 3.34Å; R232-K235 VanDerWaalsContact O-O 3.08Å; R232-C237 HydrophobicContact CB-CB 4.45Å; R232-D283 IonicContact CZ-OD1 3.9Å; R232-D283 IonicContact CZ-OD2 3.55Å; R232-D283 IonicContact NH1-OD1 3.87Å; R232-D283 IonicContact NH1-OD2 3.66Å; R232-D283 PolarHBondContact NH1-OD2 2.91Å; R232-D283 IonicContact NH2-OD1 2.89Å; R232-D283 IonicContact NH2-OD2 2.66Å; R232-D283 PolarHBondContact NH2-OD2 3.46Å; R232-Y298 VanDerWaalsContact NH1-CD1 3.31Å; R232-Y298 VanDerWaalsContact NH1-CE1 3.31Å
233	G	81.9	Confident	92.2	Very high	81 Å²	81	31.3 Å²	31.3	84%	0.835	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	30.3	-177.7	0	0	0	0	0	113	K235	G233-K235 PolarHBondContact O-N 2.9Å
234	G	84.3	Confident	91.9	Very high	26 Å²	26	30.8 Å²	30.8	27%	0.268	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	-4.3	-175.4	0	0	0	0	0	115.5	R232 K392	R232-G234 PolarHBondContact O-N 3.45Å; R232-G234 VanDerWaalsContact O-N 3.15Å; G234-K392 WeakPolarHBondContact O-CE 3.07Å; G234-K392 PolarHBondContact O-NZ 3.05Å
235	K	88.9	Confident	91.4	Very high	98 Å²	98	35.2 Å²	35.2	43%	0.426	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	159.3	175.1	-61.7	-176.2	-177.1	180	0	110.2	K231 R232 G233 V300	K231-K235 CarbonylContact C-O 3.59Å; K231-K235 VanDerWaalsContact CA-O 3.32Å; K231-K235 WeakPolarHBondContact CA-O 3.44Å; R232-K235 PolarHBondContact N-O 2.7Å; R232-K235 PolarHBondContact O-N 3.34Å; R232-K235 VanDerWaalsContact O-O 3.08Å; G233-K235 PolarHBondContact O-N 2.9Å; K235-V300 HydrophobicContact CB-CG1 4.16Å; K235-V300 HydrophobicContact CD-CG1 3.65Å
236	L	92.1	Very high	91	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	130.4	172.9	-163.5	74.3	0	0	0	108.6	I229 I301 W350 A385 L388	I229-L236 HydrophobicContact CG2-CD1 3.86Å; I229-L236 HydrophobicContact CG2-CD2 3.85Å; I229-L236 HydrophobicContact CG2-CG 3.7Å; L236-I301 HydrophobicContact CB-CB 4.42Å; L236-I301 HydrophobicContact CD2-CD1 3.85Å; L236-I301 HydrophobicContact CG-CD1 4.08Å; L236-I301 WeakPolarHBondContact O-CB 3.39Å; L236-I301 PolarHBondContact O-N 3.41Å; L236-W350 HydrophobicContact CD1-CZ2 4.38Å; L236-W350 HydrophobicContact CD2-CH2 3.5Å; L236-W350 VanDerWaalsContact CD2-CH2 3.5Å; L236-W350 HydrophobicContact CD2-CZ2 3.51Å; L236-W350 HydrophobicContact CD2-CZ3 4.43Å; L236-A385 HydrophobicContact CD2-CB 3.85Å; L236-L388 HydrophobicContact CB-CD2 4.15Å
237	C	94.1	Very high	90.1	Very high	4 Å²	4	42 Å²	42	3%	0.027	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	139.6	-177.2	-60	0	0	0	0	110.8	I229 S230 R232 L239 Y298 H299	I229-C237 WeakPolarHBondContact CA-O 3.12Å; S230-C237 PolarHBondContact N-O 3.32Å; S230-C237 PolarHBondContact O-N 2.9Å; R232-C237 HydrophobicContact CB-CB 4.45Å; C237-L239 HydrophobicContact CB-CD1 4.47Å; C237-L239 VanDerWaalsContact O-CD1 3.3Å; C237-L239 WeakPolarHBondContact O-CD1 3.45Å; C237-Y298 HydrophobicContact CB-CD2 4.39Å; C237-H299 CarbonylContact C-O 3.46Å; C237-H299 WeakPolarHBondContact CA-O 3.16Å
238	L	95.1	Very high	89.5	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	122.8	166.2	175.3	71.3	0	0	0	108.6	A227 V228 I229 F280 Y298 H299 F307 L322 V348	A227-L238 HydrophobicContact CB-CD1 3.93Å; V228-L238 CarbonylContact O-C 3.54Å; I229-L238 HydrophobicContact CD1-CD1 4.15Å; I229-L238 HydrophobicContact CG1-CB 4.3Å; I229-L238 HydrophobicContact CG1-CD1 3.52Å; L238-F280 HydrophobicContact CD2-CE1 4.5Å; L238-Y298 CarbonylContact O-C 3.56Å; L238-Y298 WeakPolarHBondContact O-CA 3.32Å; L238-Y298 WeakPolarHBondContact O-CB 3.45Å; L238-H299 HydrophobicContact CB-CB 4.38Å; L238-H299 PolarHBondContact N-O 3.47Å; L238-H299 PolarHBondContact O-N 3.5Å; L238-F307 HydrophobicContact CD2-CE2 3.99Å; L238-F307 HydrophobicContact CD2-CZ 4.13Å; L238-L322 HydrophobicContact CD2-CD2 3.5Å; L238-V348 HydrophobicContact CD1-CG1 3.79Å
239	L	94.9	Very high	88.9	Confident	10 Å²	10	45.3 Å²	45.3	5%	0.052	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139	-176.9	-52.3	99.6	0	0	0	111.3	V228 S230 C237 T296 I297 F354	V228-L239 HydrophobicContact CG2-CB 3.85Å; V228-L239 HydrophobicContact CG2-CD1 4.04Å; V228-L239 PolarHBondContact N-O 3.14Å; V228-L239 PolarHBondContact O-N 2.92Å; S230-L239 WeakPolarHBondContact OG-CD1 3.26Å; C237-L239 HydrophobicContact CB-CD1 4.47Å; C237-L239 VanDerWaalsContact O-CD1 3.3Å; C237-L239 WeakPolarHBondContact O-CD1 3.45Å; L239-T296 HydrophobicContact CB-CG2 3.92Å; L239-T296 HydrophobicContact CD2-CG2 3.8Å; L239-T296 HydrophobicContact CG-CG2 4.47Å; L239-I297 WeakPolarHBondContact CA-O 3.41Å; L239-F354 HydrophobicContact CB-CD2 4.36Å; L239-F354 HydrophobicContact CB-CE2 4.02Å
240	I	95.4	Very high	88.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	143.5	175.4	-66.8	168.4	0	0	0	107.7	F223 A227 F280 T296 I297 L322 V324 Y343	F223-I240 HydrophobicContact CD1-CG2 4.14Å; A227-I240 HydrophobicContact CB-CD1 4.2Å; A227-I240 HydrophobicContact CB-CG1 3.68Å; I240-F280 HydrophobicContact CD1-CE1 3.97Å; I240-F280 HydrophobicContact CD1-CZ 3.86Å; I240-T296 CarbonylContact O-C 3.56Å; I240-T296 WeakPolarHBondContact O-CA 3.26Å; I240-I297 HydrophobicContact CB-CD1 3.99Å; I240-I297 HydrophobicContact CB-CG1 3.72Å; I240-I297 HydrophobicContact CG2-CD1 4.1Å; I240-I297 HydrophobicContact CG2-CG1 4.19Å; I240-I297 PolarHBondContact N-O 3.46Å; I240-I297 VanDerWaalsContact O-CG1 3.27Å; I240-I297 WeakPolarHBondContact O-CG1 3.39Å; I240-I297 PolarHBondContact O-N 2.91Å; I240-L322 HydrophobicContact CD1-CD2 4.21Å; I240-V324 HydrophobicContact CD1-CG2 3.71Å; I240-Y343 HydrophobicContact CD1-CD2 3.96Å; I240-Y343 HydrophobicContact CD1-CE2 3.56Å; I240-Y343 HydrophobicContact CG1-CE2 4.13Å; I240-Y343 HydrophobicContact CG2-CE2 4.18Å; I240-Y343 WeakPolarHBondContact CG2-OH 3.34Å
241	R	93	Very high	87.9	Confident	14 Å²	14	49.9 Å²	49.9	5%	0.053	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	144	172.7	-81.5	178	169.9	178	0.5	111.3	F223 S224 L295 T296 F354 A355 N372 F373	F223-R241 CarbonylContact C-O 3.49Å; F223-R241 VanDerWaalsContact CA-O 3.26Å; F223-R241 WeakPolarHBondContact CA-O 3.42Å; S224-R241 PolarHBondContact N-O 3.13Å; S224-R241 PolarHBondContact OG-N 2.96Å; R241-L295 WeakPolarHBondContact CA-O 2.87Å; R241-T296 HydrophobicContact CG-CG2 4.28Å; R241-T296 WeakPolarHBondContact CG-OG1 3.44Å; R241-T296 PolarHBondContact NE-OG1 3.1Å; R241-F354 HydrophobicContact CB-CE2 4.42Å; R241-F354 HydrophobicContact CB-CZ 4.4Å; R241-F354 HydrophobicContact CG-CD1 4.38Å; R241-F354 HydrophobicContact CG-CD2 3.75Å; R241-F354 HydrophobicContact CG-CE1 4.47Å; R241-F354 HydrophobicContact CG-CE2 3.85Å; R241-F354 HydrophobicContact CG-CG 4.04Å; R241-F354 HydrophobicContact CG-CZ 4.22Å; R241-F354 VanDerWaalsContact NE-CB 3.26Å; R241-A355 PolarHBondContact NH1-O 3.03Å; R241-A355 PolarHBondContact NH2-O 3.45Å; R241-N372 PolarHBondContact NH1-O 3.41Å; R241-F373 HydrophobicContact CB-CE2 3.82Å; R241-F373 HydrophobicContact CB-CZ 4.02Å; R241-F373 WeakPolarHBondContact CD-O 3.37Å; R241-F373 PolarHBondContact NH1-O 2.98Å
242	V	92.1	Very high	87.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138	173.7	55.7	0	0	0	0	108.5	I221 T222 F223 I255 F291 P294 L295 I297 L326	I221-V242 HydrophobicContact CG2-CG2 3.78Å; T222-V242 WeakPolarHBondContact O-CA 3.15Å; F223-V242 HydrophobicContact CD1-CB 3.98Å; F223-V242 HydrophobicContact CD1-CG2 4.14Å; F223-V242 HydrophobicContact CE1-CB 4.04Å; F223-V242 HydrophobicContact CE1-CG2 3.93Å; F223-V242 HydrophobicContact CZ-CG2 4.4Å; V242-I255 HydrophobicContact CG1-CD1 4.4Å; V242-F291 HydrophobicContact CB-CE1 4.42Å; V242-F291 HydrophobicContact CG1-CE1 3.71Å; V242-F291 HydrophobicContact CG1-CZ 4.2Å; V242-F291 HydrophobicContact CG2-CE1 3.93Å; V242-F291 HydrophobicContact CG2-CZ 4.49Å; V242-P294 CarbonylContact O-C 3.59Å; V242-P294 WeakPolarHBondContact O-CA 3.38Å; V242-L295 HydrophobicContact CG1-CB 4.26Å; V242-L295 PolarHBondContact N-O 3.41Å; V242-L295 PolarHBondContact O-N 3.27Å; V242-I297 HydrophobicContact CG1-CG2 4.07Å; V242-L326 HydrophobicContact CG2-CD2 4.26Å
243	A	89.8	Confident	87.6	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	142.5	177.6	0	0	0	0	0	111.4	I221 T222 P294 F370 F373	I221-A243 WeakPolarHBondContact CA-O 3.45Å; T222-A243 PolarHBondContact N-O 3.29Å; T222-A243 PolarHBondContact O-N 2.91Å; A243-P294 HydrophobicContact CB-CB 3.98Å; A243-P294 HydrophobicContact CB-CG 3.92Å; A243-F370 HydrophobicContact CB-CE1 3.89Å; A243-F373 HydrophobicContact CB-CD2 4.18Å; A243-F373 HydrophobicContact CB-CE2 3.51Å; A243-F373 HydrophobicContact CB-CZ 3.95Å
244	N	88.3	Confident	87.9	Confident	12 Å²	12	43.2 Å²	43.2	6%	0.064	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	115.6	167.3	177.7	18.3	0	0	0	108	R217 R246 S248 F291	R217-N244 PolarHBondContact NH1-OD1 3Å; R217-N244 PolarHBondContact NH2-OD1 2.96Å; N244-R246 VanDerWaalsContact CG-O 3.26Å; N244-R246 PolarHBondContact ND2-O 3.35Å; N244-R246 VanDerWaalsContact ND2-O 3.11Å; N244-R246 PolarHBondContact O-N 3.12Å; N244-R246 PolarHBondContact OD1-N 2.95Å; N244-R246 PolarHBondContact OD1-O 3.35Å; N244-S248 PolarHBondContact ND2-O 3.49Å; N244-F291 HydrophobicContact CB-CB 4.17Å; N244-F291 PolarHBondContact ND2-O 3.11Å
245	L	85	Confident	88.2	Confident	95 Å²	95	42.6 Å²	42.6	50%	0.497	21%	0.209	S	C	.	.			trans	-79.5	-0.5	-179	-60.6	176.1	0	0	0	113.1	T220 T222 F370	T220-L245 VanDerWaalsContact O-CB 3.28Å; T220-L245 WeakPolarHBondContact O-CB 3.46Å; T220-L245 WeakPolarHBondContact O-CG 3.4Å; T220-L245 PolarHBondContact O-N 2.85Å; T222-L245 HydrophobicContact CG2-CD1 3.67Å; T222-L245 HydrophobicContact CG2-CG 4.31Å; L245-F370 HydrophobicContact CD2-CD1 3.89Å; L245-F370 HydrophobicContact CD2-CE1 3.45Å; L245-F370 VanDerWaalsContact CD2-CE1 3.45Å; L245-F370 HydrophobicContact CD2-CE2 4.46Å; L245-F370 HydrophobicContact CD2-CZ 3.78Å
246	R	83.4	Confident	88.4	Confident	130 Å²	130	40.2 Å²	40.2	49%	0.491	20%	0.198	S	C	.	.	S	Bend	trans	-117.7	156	-179.8	-160.1	174.5	-179.4	-149.1	5.3	110.5	R217 N244 S248	R217-R246 VanDerWaalsContact NH1-CD 3.32Å; N244-R246 VanDerWaalsContact CG-O 3.26Å; N244-R246 PolarHBondContact ND2-O 3.35Å; N244-R246 VanDerWaalsContact ND2-O 3.11Å; N244-R246 PolarHBondContact O-N 3.12Å; N244-R246 PolarHBondContact OD1-N 2.95Å; N244-R246 PolarHBondContact OD1-O 3.35Å; R246-S248 VanDerWaalsContact CD-OG 3.31Å; R246-S248 WeakPolarHBondContact CD-OG 3.43Å; R246-S248 PolarHBondContact NH1-OG 3.24Å
247	K	76.8	Confident	88.5	Confident	205 Å²	205	40.3 Å²	40.3	89%	0.891	20%	0.198	S	C	*	.	S	Bend	trans	-70.8	-30.1	177.1	-61.8	-175.4	178.9	-177.9	0	114.5
248	S	83.7	Confident	88.5	Confident	20 Å²	20	42.4 Å²	42.4	14%	0.14	21%	0.207	C	C	.	.	S	Bend	trans	-65.4	141.6	178.5	53.1	0	0	0	0	110.8	R217 N244 R246	R217-S248 PolarHBondContact NH2-O 3.18Å; R217-S248 PolarHBondContact NH2-OG 3.4Å; N244-S248 PolarHBondContact ND2-O 3.49Å; R246-S248 VanDerWaalsContact CD-OG 3.31Å; R246-S248 WeakPolarHBondContact CD-OG 3.43Å; R246-S248 PolarHBondContact NH1-OG 3.24Å
249	L	82.3	Confident	88.5	Confident	48 Å²	48	42.4 Å²	42.4	25%	0.251	21%	0.207	S	C	.	.			trans	-82.5	166.1	-175.5	-66.3	168.7	0	0	0	111.7	F290 I292 E331	L249-F290 HydrophobicContact CD1-CE2 4.25Å; L249-F290 HydrophobicContact CD2-CD2 4.27Å; L249-F290 HydrophobicContact CD2-CE2 4.22Å; L249-I292 HydrophobicContact CD2-CD1 4.35Å; L249-I292 HydrophobicContact CD2-CG1 3.71Å; L249-E331 PolarHBondContact N-OE2 3.48Å
250	L	83.6	Confident	88.4	Confident	8 Å²	8	42.3 Å²	42.3	4%	0.042	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	114.2	170.9	-166.6	74.9	0	0	0	107.6	I221 S253 L326 T329 V330	I221-L250 HydrophobicContact CD1-CD2 3.96Å; L250-S253 WeakPolarHBondContact CB-OG 3.49Å; L250-S253 VanDerWaalsContact CD2-OG 3.31Å; L250-S253 WeakPolarHBondContact CD2-OG 3.1Å; L250-S253 WeakPolarHBondContact CG-OG 3.48Å; L250-S253 PolarHBondContact O-OG 3.22Å; L250-L326 HydrophobicContact CD2-CD1 4.42Å; L250-L326 HydrophobicContact CD2-CD2 4.04Å; L250-L326 HydrophobicContact CD2-CG 4.21Å; L250-T329 WeakPolarHBondContact CD1-O 3.36Å; L250-V330 HydrophobicContact CD1-CG2 4.3Å
251	I	84.5	Confident	88.2	Confident	94 Å²	94	45.5 Å²	45.5	48%	0.482	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	141.4	-173.7	-56.1	172.8	0	0	0	109	S253 T329 E331	I251-S253 VanDerWaalsContact C-N 3.3Å; I251-S253 PolarHBondContact O-N 3.13Å; I251-T329 PolarHBondContact N-O 3.5Å; I251-T329 PolarHBondContact O-N 2.92Å; I251-E331 HydrophobicContact CD1-CB 4.19Å; I251-E331 HydrophobicContact CD1-CG 4.34Å
252	G	84	Confident	88	Confident	41 Å²	41	48.7 Å²	48.7	42%	0.423	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	62.1	38.3	177.3	0	0	0	0	0	112.9	H254 N288	G252-H254 PolarHBondContact O-N 2.95Å; G252-N288 PolarHBondContact N-OD1 3.06Å
253	S	86.4	Confident	87.8	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	127.2	-176.4	-59.6	0	0	0	0	111.4	L250 I251 D327	L250-S253 WeakPolarHBondContact CB-OG 3.49Å; L250-S253 VanDerWaalsContact CD2-OG 3.31Å; L250-S253 WeakPolarHBondContact CD2-OG 3.1Å; L250-S253 WeakPolarHBondContact CG-OG 3.48Å; L250-S253 PolarHBondContact O-OG 3.22Å; I251-S253 VanDerWaalsContact C-N 3.3Å; I251-S253 PolarHBondContact O-N 3.13Å; S253-D327 CarbonylContact C-O 3.49Å; S253-D327 VanDerWaalsContact CA-O 3.23Å; S253-D327 WeakPolarHBondContact CA-O 3.31Å
254	H	88.2	Confident	87.8	Confident	100 Å²	100	54.8 Å²	54.8	46%	0.463	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137	177.5	-179.1	-101.9	0	0	0	110.5	G252 Y256 L326 D327	G252-H254 PolarHBondContact O-N 2.95Å; H254-Y256 AromaticContact CE1-CD1 3.57Å; H254-Y256 AromaticContact ND1-CD1 3.32Å; H254-Y256 VanDerWaalsContact ND1-CD1 3.32Å; H254-Y256 WeakPolarHBondContact ND1-CD1 3.01Å; H254-Y256 AromaticContact ND1-CE1 3.85Å; H254-L326 WeakPolarHBondContact O-CA 3.31Å; H254-D327 PolarHBondContact N-O 2.91Å; H254-D327 PolarHBondContact O-N 3.24Å
255	I	90.9	Very high	87.8	Confident	12 Å²	12	55.5 Å²	55.5	6%	0.062	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.2	-176.8	-61.6	173.1	0	0	0	110.1	V242 F280 L289 F291 I297 V324 F325 L326	V242-I255 HydrophobicContact CG1-CD1 4.4Å; I255-F280 HydrophobicContact CG2-CB 4.02Å; I255-F280 HydrophobicContact CG2-CD2 4.06Å; I255-F280 HydrophobicContact CG2-CG 4.28Å; I255-L289 HydrophobicContact CD1-CD1 3.41Å; I255-L289 VanDerWaalsContact CD1-CD1 3.41Å; I255-L289 HydrophobicContact CG1-CD1 4.02Å; I255-F291 HydrophobicContact CD1-CZ 4.15Å; I255-I297 HydrophobicContact CD1-CG2 3.52Å; I255-I297 HydrophobicContact CG2-CD1 3.62Å; I255-V324 HydrophobicContact CG2-CG1 4.23Å; I255-F325 WeakPolarHBondContact CA-O 3.12Å; I255-L326 HydrophobicContact CD1-CD1 3.81Å; I255-L326 HydrophobicContact CG1-CB 4.37Å; I255-L326 HydrophobicContact CG1-CD1 3.3Å; I255-L326 HydrophobicContact CG1-CG 4.42Å
256	Y	92.4	Very high	88	Confident	49 Å²	49	57 Å²	57	19%	0.192	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	162	176.2	58.6	-78.8	0	0	0	110.7	H254 F325 D327 Q338	H254-Y256 AromaticContact CE1-CD1 3.57Å; H254-Y256 AromaticContact ND1-CD1 3.32Å; H254-Y256 VanDerWaalsContact ND1-CD1 3.32Å; H254-Y256 WeakPolarHBondContact ND1-CD1 3.01Å; H254-Y256 AromaticContact ND1-CE1 3.85Å; Y256-F325 HydrophobicContact CD1-CB 4.13Å; Y256-F325 HydrophobicContact CD2-CB 4.08Å; Y256-F325 AromaticContact CD2-CD2 3.98Å; Y256-F325 HydrophobicContact CD2-CD2 3.98Å; Y256-F325 HydrophobicContact CD2-CG 4.24Å; Y256-F325 HydrophobicContact CE1-CB 3.7Å; Y256-F325 HydrophobicContact CE2-CB 3.63Å; Y256-F325 HydrophobicContact CE2-CD1 4.28Å; Y256-F325 AromaticContact CE2-CD2 3.65Å; Y256-F325 HydrophobicContact CE2-CD2 3.65Å; Y256-F325 HydrophobicContact CE2-CE2 4.41Å; Y256-F325 AromaticContact CE2-CG 3.61Å; Y256-F325 HydrophobicContact CE2-CG 3.61Å; Y256-F325 HydrophobicContact CG-CB 4.32Å; Y256-F325 VanDerWaalsContact CZ-CB 3.43Å; Y256-F325 AromaticContact CZ-CG 3.79Å; Y256-F325 PolarHBondContact N-O 3.44Å; Y256-F325 VanDerWaalsContact N-O 3.14Å; Y256-F325 PolarHBondContact O-N 2.86Å; Y256-D327 WeakPolarHBondContact CE1-OD2 3.03Å; Y256-D327 PolarHBondContact OH-OD2 2.92Å; Y256-Q338 PolarHBondContact OH-NE2 2.83Å
257	G	94.4	Very high	88.3	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.01	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	156.6	176.6	0	0	0	0	0	112.4	I278 V323	G257-I278 WeakPolarHBondContact CA-O 3.16Å; G257-I278 PolarHBondContact N-O 2.88Å; G257-I278 PolarHBondContact O-N 3.22Å; G257-V323 CarbonylContact C-O 3.55Å; G257-V323 VanDerWaalsContact CA-O 3.22Å; G257-V323 WeakPolarHBondContact CA-O 3.48Å
258	K	94.9	Very high	88.9	Confident	48 Å²	48	51.1 Å²	51.1	21%	0.209	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.1	167.9	-65.3	-73.1	-168.7	158.7	0	107.7	Q275 I276 N277 V323 F325	K258-Q275 HydrophobicContact CD-CB 4.47Å; K258-I276 CarbonylContact C-O 3.57Å; K258-I276 WeakPolarHBondContact CA-O 3.28Å; K258-N277 WeakPolarHBondContact CD-OD1 3.22Å; K258-N277 WeakPolarHBondContact CE-OD1 3.14Å; K258-N277 PolarHBondContact NZ-OD1 3.44Å; K258-V323 PolarHBondContact N-O 3.24Å; K258-V323 PolarHBondContact O-N 3.46Å; K258-F325 HydrophobicContact CB-CE2 4.08Å; K258-F325 HydrophobicContact CG-CD2 4.41Å; K258-F325 HydrophobicContact CG-CE2 3.76Å
259	L	94.3	Very high	89.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	118.3	167.8	-167	68.3	0	0	0	108.1	D274 I276 I278 P306 F307 F320 L322	L259-D274 VanDerWaalsContact O-O 3.09Å; L259-I276 HydrophobicContact CB-CB 4.3Å; L259-I276 PolarHBondContact N-O 3.17Å; L259-I276 PolarHBondContact O-N 3.18Å; L259-I278 HydrophobicContact CB-CD1 3.66Å; L259-I278 HydrophobicContact CB-CG1 4.48Å; L259-I278 HydrophobicContact CD1-CD1 4.36Å; L259-I278 HydrophobicContact CG-CD1 4.48Å; L259-P306 HydrophobicContact CD2-CB 3.54Å; L259-P306 HydrophobicContact CD2-CG 3.67Å; L259-F307 HydrophobicContact CD1-CE1 4.09Å; L259-F307 HydrophobicContact CD1-CZ 3.73Å; L259-F320 HydrophobicContact CD1-CB 3.88Å; L259-F320 HydrophobicContact CD1-CD2 3.45Å; L259-F320 VanDerWaalsContact CD1-CD2 3.45Å; L259-F320 HydrophobicContact CD1-CE2 4.24Å; L259-F320 HydrophobicContact CD1-CG 3.86Å; L259-F320 HydrophobicContact CG-CB 4.29Å; L259-L322 HydrophobicContact CD1-CB 4.22Å
260	L	93	Very high	89.6	Confident	9 Å²	9	58.4 Å²	58.4	5%	0.047	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	120.9	173.6	-52.5	178.7	0	0	0	107.8	L71 L273 D274 Q275 F320 E321 V323	L71-L260 HydrophobicContact CB-CD1 4.21Å; L71-L260 HydrophobicContact CD2-CD1 3.44Å; L71-L260 VanDerWaalsContact CD2-CD1 3.44Å; L71-L260 HydrophobicContact CG-CD1 4.44Å; L260-L273 HydrophobicContact CB-CD2 4.23Å; L260-D274 WeakPolarHBondContact CA-O 3.34Å; L260-Q275 HydrophobicContact CD2-CB 4.2Å; L260-Q275 HydrophobicContact CD2-CG 3.62Å; L260-F320 CarbonylContact O-C 3.52Å; L260-F320 WeakPolarHBondContact O-CA 3.21Å; L260-E321 HydrophobicContact CB-CB 4.31Å; L260-E321 WeakPolarHBondContact CB-O 3.42Å; L260-E321 PolarHBondContact N-O 3.43Å; L260-E321 PolarHBondContact O-N 2.9Å; L260-V323 HydrophobicContact CD1-CG2 3.56Å; L260-V323 HydrophobicContact CG-CG2 4.12Å
261	K	90.8	Very high	89.9	Confident	67 Å²	67	61 Å²	61	29%	0.291	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	163	173.2	66	173.2	-173.4	179.2	0	110.4	T263 D274 I276 F320	K261-T263 WeakPolarHBondContact CE-OG1 3.39Å; K261-D274 PolarHBondContact N-O 2.86Å; K261-D274 VanDerWaalsContact N-O 3.11Å; K261-D274 WeakPolarHBondContact O-CB 3.33Å; K261-D274 PolarHBondContact O-N 2.82Å; K261-I276 HydrophobicContact CD-CD1 4.42Å; K261-I276 VanDerWaalsContact CE-CD1 3.41Å; K261-F320 HydrophobicContact CB-CB 4.28Å
262	T	89.1	Confident	89.9	Confident	80 Å²	80	62.7 Å²	62.7	49%	0.491	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	118.2	169.5	-56.4	0	0	0	0	108.1	I271	T262-I271 WeakPolarHBondContact CA-O 3.46Å
263	T	87.3	Confident	90	Very high	34 Å²	34	64.4 Å²	64.4	21%	0.209	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.7	-180	-51.2	0	0	0	0	109.1	K261 I271 D274	K261-T263 WeakPolarHBondContact CE-OG1 3.39Å; T263-I271 PolarHBondContact N-O 3.34Å; T263-I271 VanDerWaalsContact N-O 3.09Å; T263-I271 PolarHBondContact O-N 2.94Å; T263-D274 WeakPolarHBondContact CB-OD2 3.31Å; T263-D274 WeakPolarHBondContact OG1-CB 3.35Å; T263-D274 PolarHBondContact OG1-OD2 3.3Å
264	V	89.9	Confident	90.2	Very high	95 Å²	95	66.3 Å²	66.3	58%	0.576	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	121.2	167.9	-170.4	0	0	0	0	107.4	E269 T270	V264-E269 CarbonylContact C-O 3.59Å; V264-E269 WeakPolarHBondContact CA-O 3.34Å; V264-T270 HydrophobicContact CG1-CG2 4.34Å; V264-T270 HydrophobicContact CG2-CG2 4.09Å
265	T	89.8	Confident	90.4	Very high	26 Å²	26	67.1 Å²	67.1	16%	0.16	37%	0.366	C	S	.	.			trans	-70.8	157.7	177.9	70.1	0	0	0	0	110.3	E267 G268 E269 I271	T265-E267 VanDerWaalsContact CB-OE2 3.24Å; T265-E267 WeakPolarHBondContact CB-OE2 3.23Å; T265-E267 PolarHBondContact O-N 3.49Å; T265-E267 VanDerWaalsContact O-N 3.16Å; T265-E267 PolarHBondContact OG1-OE2 2.88Å; T265-G268 PolarHBondContact O-N 3.17Å; T265-E269 HydrophobicContact CG2-CB 4.37Å; T265-E269 PolarHBondContact N-O 3.37Å; T265-E269 WeakPolarHBondContact OG1-CB 3.3Å; T265-E269 PolarHBondContact OG1-N 2.9Å; T265-E269 VanDerWaalsContact OG1-N 3.1Å; T265-E269 PolarHBondContact OG1-O 3.41Å; T265-I271 HydrophobicContact CG2-CD1 3.52Å; T265-I271 HydrophobicContact CG2-CG1 4.01Å
266	P	87.5	Confident	90.5	Very high	128 Å²	128	68.9 Å²	68.9	83%	0.831	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.8	176	21.4	-29.6	0	0	0	113.3	G268	P266-G268 PolarHBondContact O-N 3.38Å
267	E	91	Very high	90.5	Very high	158 Å²	158	71.5 Å²	71.5	74%	0.738	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-3.8	173.9	-58.2	72.7	-155.1	0	0	113.4	T265	T265-E267 VanDerWaalsContact CB-OE2 3.24Å; T265-E267 WeakPolarHBondContact CB-OE2 3.23Å; T265-E267 PolarHBondContact O-N 3.49Å; T265-E267 VanDerWaalsContact O-N 3.16Å; T265-E267 PolarHBondContact OG1-OE2 2.88Å
268	G	89.8	Confident	90.5	Very high	53 Å²	53	71.5 Å²	71.5	55%	0.546	39%	0.392	S	S	.	.	S	Bend	trans	87.6	7.8	179.2	0	0	0	0	0	114.8	T265 P266	T265-G268 PolarHBondContact O-N 3.17Å; P266-G268 PolarHBondContact O-N 3.38Å
269	E	91.6	Very high	90.3	Very high	130 Å²	130	74.7 Å²	74.7	61%	0.607	41%	0.412	S	S	*	.			trans	-80.4	130.2	175.8	-170.7	-179.7	177.8	0	0	110.6	V264 T265	V264-E269 CarbonylContact C-O 3.59Å; V264-E269 WeakPolarHBondContact CA-O 3.34Å; T265-E269 HydrophobicContact CG2-CB 4.37Å; T265-E269 PolarHBondContact N-O 3.37Å; T265-E269 WeakPolarHBondContact OG1-CB 3.3Å; T265-E269 PolarHBondContact OG1-N 2.9Å; T265-E269 VanDerWaalsContact OG1-N 3.1Å; T265-E269 PolarHBondContact OG1-O 3.41Å
270	T	89.1	Confident	90.2	Very high	91 Å²	91	75.3 Å²	75.3	56%	0.558	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.6	105.8	176.3	58.1	0	0	0	0	110.3	V264	V264-T270 HydrophobicContact CG1-CG2 4.34Å; V264-T270 HydrophobicContact CG2-CG2 4.09Å
271	I	88.6	Confident	89.9	Confident	61 Å²	61	77.2 Å²	77.2	31%	0.313	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	113.1	175.9	-56.1	174.4	0	0	0	108.8	T262 T263 T265 D274	T262-I271 WeakPolarHBondContact CA-O 3.46Å; T263-I271 PolarHBondContact N-O 3.34Å; T263-I271 VanDerWaalsContact N-O 3.09Å; T263-I271 PolarHBondContact O-N 2.94Å; T265-I271 HydrophobicContact CG2-CD1 3.52Å; T265-I271 HydrophobicContact CG2-CG1 4.01Å; I271-D274 HydrophobicContact CB-CB 4.4Å; I271-D274 HydrophobicContact CG2-CB 3.97Å
272	I	85.3	Confident	89.7	Confident	131 Å²	131	74.7 Å²	74.7	67%	0.672	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	131.1	174	-58.8	171.3	0	0	0	108.2
273	L	86.3	Confident	89.1	Confident	77 Å²	77	75.4 Å²	75.4	40%	0.403	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	58.6	44.9	-178.4	-60.1	167.2	0	0	0	113.8	L71 L260 Q275	L71-L273 HydrophobicContact CD1-CD1 4.1Å; L71-L273 HydrophobicContact CD2-CD1 4.36Å; L71-L273 HydrophobicContact CD2-CD2 4.49Å; L260-L273 HydrophobicContact CB-CD2 4.23Å; L273-Q275 WeakPolarHBondContact O-CG 3.12Å; L273-Q275 PolarHBondContact O-N 2.88Å
274	D	90.8	Very high	88.2	Confident	42 Å²	42	77.9 Å²	77.9	23%	0.225	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	133.5	167.5	179.5	25.6	0	0	0	110.1	L259 L260 K261 T263 I271	L259-D274 VanDerWaalsContact O-O 3.09Å; L260-D274 WeakPolarHBondContact CA-O 3.34Å; K261-D274 PolarHBondContact N-O 2.86Å; K261-D274 VanDerWaalsContact N-O 3.11Å; K261-D274 WeakPolarHBondContact O-CB 3.33Å; K261-D274 PolarHBondContact O-N 2.82Å; T263-D274 WeakPolarHBondContact CB-OD2 3.31Å; T263-D274 WeakPolarHBondContact OG1-CB 3.35Å; T263-D274 PolarHBondContact OG1-OD2 3.3Å; I271-D274 HydrophobicContact CB-CB 4.4Å; I271-D274 HydrophobicContact CG2-CB 3.97Å
275	Q	92.1	Very high	87.1	Confident	117 Å²	117	74.9 Å²	74.9	55%	0.547	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	101.9	-169.6	-52	-169.3	18.6	0	0	111.2	K258 L260 L273	K258-Q275 HydrophobicContact CD-CB 4.47Å; L260-Q275 HydrophobicContact CD2-CB 4.2Å; L260-Q275 HydrophobicContact CD2-CG 3.62Å; L273-Q275 WeakPolarHBondContact O-CG 3.12Å; L273-Q275 PolarHBondContact O-N 2.88Å
276	I	92.4	Very high	85.8	Confident	50 Å²	50	78 Å²	78	26%	0.256	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	128.3	178.7	-56.1	179.5	0	0	0	110	K258 L259 K261 P306	K258-I276 CarbonylContact C-O 3.57Å; K258-I276 WeakPolarHBondContact CA-O 3.28Å; L259-I276 HydrophobicContact CB-CB 4.3Å; L259-I276 PolarHBondContact N-O 3.17Å; L259-I276 PolarHBondContact O-N 3.18Å; K261-I276 HydrophobicContact CD-CD1 4.42Å; K261-I276 VanDerWaalsContact CE-CD1 3.41Å; I276-P306 HydrophobicContact CG2-CG 4.33Å
277	N	93.5	Very high	84.5	Confident	104 Å²	104	79.7 Å²	79.7	56%	0.556	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68	134.9	177.3	-71.8	-27.1	0	0	0	111.8	K258	K258-N277 WeakPolarHBondContact CD-OD1 3.22Å; K258-N277 WeakPolarHBondContact CE-OD1 3.14Å; K258-N277 PolarHBondContact NZ-OD1 3.44Å
278	I	93.5	Very high	83.1	Confident	1 Å²	1	77.4 Å²	77.4	1%	0.005	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	120.6	171.4	-67.7	163.5	0	0	0	108.6	G257 L259 F280 H299 P306 F307 L322	G257-I278 WeakPolarHBondContact CA-O 3.16Å; G257-I278 PolarHBondContact N-O 2.88Å; G257-I278 PolarHBondContact O-N 3.22Å; L259-I278 HydrophobicContact CB-CD1 3.66Å; L259-I278 HydrophobicContact CB-CG1 4.48Å; L259-I278 HydrophobicContact CD1-CD1 4.36Å; L259-I278 HydrophobicContact CG-CD1 4.48Å; I278-F280 HydrophobicContact CG2-CE2 4.12Å; I278-F280 HydrophobicContact CG2-CZ 4.1Å; I278-H299 HydrophobicContact CG2-CB 3.96Å; I278-P306 HydrophobicContact CD1-CG 4.26Å; I278-P306 HydrophobicContact CG1-CG 4.17Å; I278-F307 HydrophobicContact CD1-CD2 4.49Å; I278-F307 HydrophobicContact CD1-CE2 3.47Å; I278-F307 VanDerWaalsContact CD1-CE2 3.47Å; I278-F307 HydrophobicContact CD1-CZ 3.98Å; I278-F307 HydrophobicContact CG1-CE2 4.41Å; I278-L322 HydrophobicContact CD1-CD1 3.39Å
279	N	91.2	Very high	82.1	Confident	115 Å²	115	75.2 Å²	75.2	62%	0.615	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	130.1	176.2	-64.6	-22.6	0	0	0	110	H299	N279-H299 PolarHBondContact O-ND1 3.18Å
280	F	91.2	Very high	81.1	Confident	13 Å²	13	75.5 Å²	75.5	6%	0.057	41%	0.41	C	S	.	.			trans	-102	142	173.3	-71.5	-78.8	0	0	0	110.2	L238 I240 I255 I278 I297 H299 L322 V324	L238-F280 HydrophobicContact CD2-CE1 4.5Å; I240-F280 HydrophobicContact CD1-CE1 3.97Å; I240-F280 HydrophobicContact CD1-CZ 3.86Å; I255-F280 HydrophobicContact CG2-CB 4.02Å; I255-F280 HydrophobicContact CG2-CD2 4.06Å; I255-F280 HydrophobicContact CG2-CG 4.28Å; I278-F280 HydrophobicContact CG2-CE2 4.12Å; I278-F280 HydrophobicContact CG2-CZ 4.1Å; F280-I297 HydrophobicContact CB-CB 4.36Å; F280-I297 HydrophobicContact CB-CD1 4.36Å; F280-I297 HydrophobicContact CD1-CB 4.48Å; F280-I297 HydrophobicContact CD1-CD1 4Å; F280-I297 HydrophobicContact CD1-CG1 4.15Å; F280-I297 HydrophobicContact CD2-CD1 4.39Å; F280-I297 HydrophobicContact CE1-CD1 4.41Å; F280-I297 HydrophobicContact CG-CD1 4Å; F280-H299 HydrophobicContact CD1-CB 3.87Å; F280-H299 HydrophobicContact CE1-CB 3.85Å; F280-L322 HydrophobicContact CZ-CD2 4.4Å; F280-V324 HydrophobicContact CE2-CG1 4.07Å; F280-V324 HydrophobicContact CE2-CG2 3.88Å; F280-V324 HydrophobicContact CZ-CG2 3.93Å
281	V	88.1	Confident	80.2	Confident	49 Å²	49	71.4 Å²	71.4	30%	0.297	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-116.1	148.4	178.7	-179.3	0	0	0	0	109	N286 Y298	V281-N286 WeakPolarHBondContact CA-OD1 3.22Å; V281-Y298 HydrophobicContact CB-CE2 4.18Å; V281-Y298 HydrophobicContact CG1-CE2 4.34Å; V281-Y298 PolarHBondContact N-O 2.93Å; V281-Y298 WeakPolarHBondContact O-CD1 3.28Å; V281-Y298 PolarHBondContact O-N 2.89Å
282	V	85.3	Confident	79.5	Confident	13 Å²	13	73.6 Å²	73.6	8%	0.079	40%	0.395	C	S	.	.			trans	-124.6	141.3	172.3	-170.8	0	0	0	0	108.7	A284 G285 L289 I297	V282-A284 HydrophobicContact CG1-CB 4.33Å; V282-A284 PolarHBondContact O-N 3.37Å; V282-A284 VanDerWaalsContact O-N 3.15Å; V282-G285 PolarHBondContact O-N 3.26Å; V282-L289 HydrophobicContact CB-CD2 3.7Å; V282-L289 HydrophobicContact CG1-CD2 3.89Å; V282-L289 HydrophobicContact CG2-CD1 4.27Å; V282-L289 HydrophobicContact CG2-CD2 3.62Å; V282-I297 HydrophobicContact CG2-CB 4.3Å; V282-I297 HydrophobicContact CG2-CG2 3.57Å
283	D	77.3	Confident	79.3	Confident	96 Å²	96	69.4 Å²	69.4	51%	0.513	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-23	-178.2	-55.7	-55.8	0	0	0	113.3	R232 G285 Y298	R232-D283 IonicContact CZ-OD1 3.9Å; R232-D283 IonicContact CZ-OD2 3.55Å; R232-D283 IonicContact NH1-OD1 3.87Å; R232-D283 IonicContact NH1-OD2 3.66Å; R232-D283 PolarHBondContact NH1-OD2 2.91Å; R232-D283 IonicContact NH2-OD1 2.89Å; R232-D283 IonicContact NH2-OD2 2.66Å; R232-D283 PolarHBondContact NH2-OD2 3.46Å; D283-G285 VanDerWaalsContact C-N 3.27Å; D283-G285 PolarHBondContact O-N 3.42Å; D283-Y298 WeakPolarHBondContact OD1-CE1 3.17Å; D283-Y298 PolarHBondContact OD1-OH 2.91Å
284	A	67.8	Low	79.3	Confident	85 Å²	85	66.4 Å²	66.4	70%	0.702	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-0.6	178.3	0	0	0	0	0	113.7	V282	V282-A284 HydrophobicContact CG1-CB 4.33Å; V282-A284 PolarHBondContact O-N 3.37Å; V282-A284 VanDerWaalsContact O-N 3.15Å
285	G	67.5	Low	79.3	Confident	32 Å²	32	65.6 Å²	65.6	33%	0.33	36%	0.359	S	S	.	.			trans	108.9	157.7	-171.9	0	0	0	0	0	112.6	V282 D283 L289	V282-G285 PolarHBondContact O-N 3.26Å; D283-G285 VanDerWaalsContact C-N 3.27Å; D283-G285 PolarHBondContact O-N 3.42Å; G285-L289 VanDerWaalsContact O-CD2 3.28Å; G285-L289 WeakPolarHBondContact O-CD2 3.43Å
286	N	63.1	Low	79.2	Confident	91 Å²	91	61.7 Å²	61.7	49%	0.487	34%	0.343	S	S	.	.	S	Bend	trans	-86.5	-17.7	-176.2	-71.4	-11.4	0	0	0	113.6	V281	V281-N286 WeakPolarHBondContact CA-OD1 3.22Å
287	E	59.7	Low	79.2	Confident	164 Å²	164	59.3 Å²	59.3	77%	0.766	33%	0.331	S	S	*	.	S	Bend	trans	-114.9	143.5	-177.1	-63.1	-177.3	178.1	0	0	110.4
288	N	61.6	Low	79.2	Confident	110 Å²	110	56 Å²	56	59%	0.588	31%	0.311	S	S	*	.	S	Bend	trans	56.5	50.9	176.4	-61.3	-37.8	0	0	0	114.5	G252 F290	G252-N288 PolarHBondContact N-OD1 3.06Å; N288-F290 PolarHBondContact O-N 3.47Å
289	L	69.2	Low	79.3	Confident	8 Å²	8	56.9 Å²	56.9	4%	0.042	32%	0.315	C	S	.	.			trans	-51.3	122.2	175.9	-63.9	175.2	0	0	0	112.2	I255 V282 G285 F291 L295	I255-L289 HydrophobicContact CD1-CD1 3.41Å; I255-L289 VanDerWaalsContact CD1-CD1 3.41Å; I255-L289 HydrophobicContact CG1-CD1 4.02Å; V282-L289 HydrophobicContact CB-CD2 3.7Å; V282-L289 HydrophobicContact CG1-CD2 3.89Å; V282-L289 HydrophobicContact CG2-CD1 4.27Å; V282-L289 HydrophobicContact CG2-CD2 3.62Å; G285-L289 VanDerWaalsContact O-CD2 3.28Å; G285-L289 WeakPolarHBondContact O-CD2 3.43Å; L289-F291 HydrophobicContact CB-CD2 3.55Å; L289-F291 HydrophobicContact CB-CE2 3.29Å; L289-F291 HydrophobicContact CB-CZ 4.1Å; L289-F291 HydrophobicContact CD1-CE2 3.51Å; L289-F291 HydrophobicContact CD1-CZ 3.65Å; L289-F291 HydrophobicContact CG-CE2 4.03Å; L289-F291 VanDerWaalsContact O-CD2 3.3Å; L289-F291 WeakPolarHBondContact O-CD2 3.48Å; L289-F291 PolarHBondContact O-N 2.88Å; L289-L295 HydrophobicContact CB-CD1 4.09Å; L289-L295 HydrophobicContact CD2-CD1 4.35Å
290	F	69	Low	79.3	Confident	135 Å²	135	53.2 Å²	53.2	59%	0.592	30%	0.296	S	S	*	.			trans	-80.1	84.3	177	-169.2	-115.1	0	0	0	111.3	L249 N288 I292	L249-F290 HydrophobicContact CD1-CE2 4.25Å; L249-F290 HydrophobicContact CD2-CD2 4.27Å; L249-F290 HydrophobicContact CD2-CE2 4.22Å; N288-F290 PolarHBondContact O-N 3.47Å; F290-I292 VanDerWaalsContact C-N 3.26Å; F290-I292 HydrophobicContact CD1-CB 4.3Å; F290-I292 HydrophobicContact CD1-CD1 4.29Å; F290-I292 HydrophobicContact CD1-CG1 4Å; F290-I292 HydrophobicContact CD2-CG1 4.41Å; F290-I292 HydrophobicContact CE1-CB 3.99Å; F290-I292 HydrophobicContact CE1-CD1 3.34Å; F290-I292 HydrophobicContact CE1-CG1 3.52Å; F290-I292 HydrophobicContact CE2-CD1 3.73Å; F290-I292 HydrophobicContact CE2-CG1 3.97Å; F290-I292 HydrophobicContact CG-CG1 4.45Å; F290-I292 HydrophobicContact CZ-CB 4.49Å; F290-I292 HydrophobicContact CZ-CD1 3.02Å; F290-I292 HydrophobicContact CZ-CG1 3.54Å; F290-I292 PolarHBondContact O-N 3.46Å
291	F	71	Confident	79.4	Confident	5 Å²	5	52.6 Å²	52.6	2%	0.022	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	53.8	-175.7	-82.8	-79.5	0	0	0	114.9	V242 N244 I255 L289 L295 L326	V242-F291 HydrophobicContact CB-CE1 4.42Å; V242-F291 HydrophobicContact CG1-CE1 3.71Å; V242-F291 HydrophobicContact CG1-CZ 4.2Å; V242-F291 HydrophobicContact CG2-CE1 3.93Å; V242-F291 HydrophobicContact CG2-CZ 4.49Å; N244-F291 HydrophobicContact CB-CB 4.17Å; N244-F291 PolarHBondContact ND2-O 3.11Å; I255-F291 HydrophobicContact CD1-CZ 4.15Å; L289-F291 HydrophobicContact CB-CD2 3.55Å; L289-F291 HydrophobicContact CB-CE2 3.29Å; L289-F291 HydrophobicContact CB-CZ 4.1Å; L289-F291 HydrophobicContact CD1-CE2 3.51Å; L289-F291 HydrophobicContact CD1-CZ 3.65Å; L289-F291 HydrophobicContact CG-CE2 4.03Å; L289-F291 VanDerWaalsContact O-CD2 3.3Å; L289-F291 WeakPolarHBondContact O-CD2 3.48Å; L289-F291 PolarHBondContact O-N 2.88Å; F291-L295 HydrophobicContact CD1-CD1 3.97Å; F291-L295 HydrophobicContact CD1-CG 4.45Å; F291-L295 HydrophobicContact CE1-CD1 3.97Å; F291-L295 HydrophobicContact CG-CD1 4.29Å; F291-L295 HydrophobicContact CZ-CD1 4.27Å; F291-L326 HydrophobicContact CE2-CD1 4.07Å; F291-L326 HydrophobicContact CZ-CD1 3.86Å; F291-L326 HydrophobicContact CZ-CD2 4.34Å
292	I	74.4	Confident	79.4	Confident	107 Å²	107	53.1 Å²	53.1	55%	0.549	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-33.7	169.6	-63.1	-160.7	0	0	0	111.8	L249 F290	L249-I292 HydrophobicContact CD2-CD1 4.35Å; L249-I292 HydrophobicContact CD2-CG1 3.71Å; F290-I292 VanDerWaalsContact C-N 3.26Å; F290-I292 HydrophobicContact CD1-CB 4.3Å; F290-I292 HydrophobicContact CD1-CD1 4.29Å; F290-I292 HydrophobicContact CD1-CG1 4Å; F290-I292 HydrophobicContact CD2-CG1 4.41Å; F290-I292 HydrophobicContact CE1-CB 3.99Å; F290-I292 HydrophobicContact CE1-CD1 3.34Å; F290-I292 HydrophobicContact CE1-CG1 3.52Å; F290-I292 HydrophobicContact CE2-CD1 3.73Å; F290-I292 HydrophobicContact CE2-CG1 3.97Å; F290-I292 HydrophobicContact CG-CG1 4.45Å; F290-I292 HydrophobicContact CZ-CB 4.49Å; F290-I292 HydrophobicContact CZ-CD1 3.02Å; F290-I292 HydrophobicContact CZ-CG1 3.54Å; F290-I292 PolarHBondContact O-N 3.46Å
293	S	79.7	Confident	79.5	Confident	44 Å²	44	57.1 Å²	57.1	31%	0.308	31%	0.312	S	S	.	.	S	Bend	trans	-120.9	159	177.9	71.9	0	0	0	0	110.8	L295	S293-L295 PolarHBondContact O-N 3.01Å
294	P	88.1	Confident	80	Confident	14 Å²	14	59.6 Å²	59.6	9%	0.091	33%	0.325	C	S	.	.			trans	-56.2	125.5	175	-26.8	36.7	0	0	0	111.5	V242 A243 I357 V368 F370 F373	V242-P294 CarbonylContact O-C 3.59Å; V242-P294 WeakPolarHBondContact O-CA 3.38Å; A243-P294 HydrophobicContact CB-CB 3.98Å; A243-P294 HydrophobicContact CB-CG 3.92Å; P294-I357 HydrophobicContact CB-CD1 4.1Å; P294-I357 HydrophobicContact CB-CG2 4.22Å; P294-I357 HydrophobicContact CG-CD1 3.69Å; P294-I357 HydrophobicContact CG-CG1 4.3Å; P294-I357 HydrophobicContact CG-CG2 4.42Å; P294-V368 HydrophobicContact CG-CG1 3.67Å; P294-F370 HydrophobicContact CG-CE1 4.05Å; P294-F370 HydrophobicContact CG-CZ 4.39Å; P294-F373 HydrophobicContact CB-CD2 4.24Å; P294-F373 HydrophobicContact CB-CE2 4.15Å
295	L	89	Confident	81.1	Confident	25 Å²	25	55.8 Å²	55.8	13%	0.131	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	144.9	178.8	-60.7	177.7	0	0	0	109.5	R241 V242 L289 F291 S293	R241-L295 WeakPolarHBondContact CA-O 2.87Å; V242-L295 HydrophobicContact CG1-CB 4.26Å; V242-L295 PolarHBondContact N-O 3.41Å; V242-L295 PolarHBondContact O-N 3.27Å; L289-L295 HydrophobicContact CB-CD1 4.09Å; L289-L295 HydrophobicContact CD2-CD1 4.35Å; F291-L295 HydrophobicContact CD1-CD1 3.97Å; F291-L295 HydrophobicContact CD1-CG 4.45Å; F291-L295 HydrophobicContact CE1-CD1 3.97Å; F291-L295 HydrophobicContact CG-CD1 4.29Å; F291-L295 HydrophobicContact CZ-CD1 4.27Å; S293-L295 PolarHBondContact O-N 3.01Å
296	T	91.4	Very high	82.1	Confident	35 Å²	35	55.6 Å²	55.6	22%	0.215	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	108.9	170.5	-53.9	0	0	0	0	107.7	L239 I240 R241 F354	L239-T296 HydrophobicContact CB-CG2 3.92Å; L239-T296 HydrophobicContact CD2-CG2 3.8Å; L239-T296 HydrophobicContact CG-CG2 4.47Å; I240-T296 CarbonylContact O-C 3.56Å; I240-T296 WeakPolarHBondContact O-CA 3.26Å; R241-T296 HydrophobicContact CG-CG2 4.28Å; R241-T296 WeakPolarHBondContact CG-OG1 3.44Å; R241-T296 PolarHBondContact NE-OG1 3.1Å; T296-F354 HydrophobicContact CG2-CD2 4.12Å; T296-F354 HydrophobicContact CG2-CE2 4.39Å
297	I	92.6	Very high	83.3	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	148.3	172	64.3	174.5	0	0	0	108.9	L239 I240 V242 I255 F280 V282 V324	L239-I297 WeakPolarHBondContact CA-O 3.41Å; I240-I297 HydrophobicContact CB-CD1 3.99Å; I240-I297 HydrophobicContact CB-CG1 3.72Å; I240-I297 HydrophobicContact CG2-CD1 4.1Å; I240-I297 HydrophobicContact CG2-CG1 4.19Å; I240-I297 PolarHBondContact N-O 3.46Å; I240-I297 VanDerWaalsContact O-CG1 3.27Å; I240-I297 WeakPolarHBondContact O-CG1 3.39Å; I240-I297 PolarHBondContact O-N 2.91Å; V242-I297 HydrophobicContact CG1-CG2 4.07Å; I255-I297 HydrophobicContact CD1-CG2 3.52Å; I255-I297 HydrophobicContact CG2-CD1 3.62Å; F280-I297 HydrophobicContact CB-CB 4.36Å; F280-I297 HydrophobicContact CB-CD1 4.36Å; F280-I297 HydrophobicContact CD1-CB 4.48Å; F280-I297 HydrophobicContact CD1-CD1 4Å; F280-I297 HydrophobicContact CD1-CG1 4.15Å; F280-I297 HydrophobicContact CD2-CD1 4.39Å; F280-I297 HydrophobicContact CE1-CD1 4.41Å; F280-I297 HydrophobicContact CG-CD1 4Å; V282-I297 HydrophobicContact CG2-CB 4.3Å; V282-I297 HydrophobicContact CG2-CG2 3.57Å; I297-V324 HydrophobicContact CD1-CG1 4.18Å
298	Y	93.3	Very high	84.7	Confident	34 Å²	34	43.9 Å²	43.9	13%	0.133	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	146.8	176.1	62.5	-85.7	0	0	0	113.1	R232 C237 L238 V281 D283 V300	R232-Y298 VanDerWaalsContact NH1-CD1 3.31Å; R232-Y298 VanDerWaalsContact NH1-CE1 3.31Å; C237-Y298 HydrophobicContact CB-CD2 4.39Å; L238-Y298 CarbonylContact O-C 3.56Å; L238-Y298 WeakPolarHBondContact O-CA 3.32Å; L238-Y298 WeakPolarHBondContact O-CB 3.45Å; V281-Y298 HydrophobicContact CB-CE2 4.18Å; V281-Y298 HydrophobicContact CG1-CE2 4.34Å; V281-Y298 PolarHBondContact N-O 2.93Å; V281-Y298 WeakPolarHBondContact O-CD1 3.28Å; V281-Y298 PolarHBondContact O-N 2.89Å; D283-Y298 WeakPolarHBondContact OD1-CE1 3.17Å; D283-Y298 PolarHBondContact OD1-OH 2.91Å; Y298-V300 HydrophobicContact CD2-CG2 4.09Å; Y298-V300 HydrophobicContact CE2-CG2 4Å
299	H	94.4	Very high	85.8	Confident	20 Å²	20	46.4 Å²	46.4	9%	0.093	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.6	170	172.4	67.3	0	0	0	108.4	C237 L238 I278 N279 F280 S305	C237-H299 CarbonylContact C-O 3.46Å; C237-H299 WeakPolarHBondContact CA-O 3.16Å; L238-H299 HydrophobicContact CB-CB 4.38Å; L238-H299 PolarHBondContact N-O 3.47Å; L238-H299 PolarHBondContact O-N 3.5Å; I278-H299 HydrophobicContact CG2-CB 3.96Å; N279-H299 PolarHBondContact O-ND1 3.18Å; F280-H299 HydrophobicContact CD1-CB 3.87Å; F280-H299 HydrophobicContact CE1-CB 3.85Å; H299-S305 WeakPolarHBondContact NE2-CB 3.49Å; H299-S305 PolarHBondContact NE2-OG 3.1Å
300	V	92.6	Very high	86.7	Confident	37 Å²	37	46.9 Å²	46.9	22%	0.224	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	122.9	176.3	-179.1	0	0	0	0	108.2	K235 Y298 D302	K235-V300 HydrophobicContact CB-CG1 4.16Å; K235-V300 HydrophobicContact CD-CG1 3.65Å; Y298-V300 HydrophobicContact CD2-CG2 4.09Å; Y298-V300 HydrophobicContact CE2-CG2 4Å; V300-D302 PolarHBondContact O-N 2.96Å; V300-D302 VanDerWaalsContact O-N 3.15Å
301	I	92.5	Very high	87.6	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.			trans	-83.8	91.7	177	-56.2	172.1	0	0	0	107.5	I229 L236 F307 F308 A385	I229-I301 HydrophobicContact CG2-CD1 4.13Å; L236-I301 HydrophobicContact CB-CB 4.42Å; L236-I301 HydrophobicContact CD2-CD1 3.85Å; L236-I301 HydrophobicContact CG-CD1 4.08Å; L236-I301 WeakPolarHBondContact O-CB 3.39Å; L236-I301 PolarHBondContact O-N 3.41Å; I301-F307 HydrophobicContact CD1-CB 4.06Å; I301-F307 HydrophobicContact CG1-CB 4.14Å; I301-F307 HydrophobicContact CG2-CB 4.01Å; I301-F308 HydrophobicContact CG2-CB 4.45Å; I301-A385 HydrophobicContact CG2-CB 3.86Å
302	D	88.2	Confident	88.3	Confident	60 Å²	60	42.3 Å²	42.3	32%	0.321	23%	0.227	S	C	.	.			trans	-100.7	-177	173.2	65.2	9.5	0	0	0	111.4	V300 N304 S305 F308	V300-D302 PolarHBondContact O-N 2.96Å; V300-D302 VanDerWaalsContact O-N 3.15Å; D302-N304 PolarHBondContact O-N 3.46Å; D302-N304 VanDerWaalsContact O-N 3.17Å; D302-N304 PolarHBondContact OD1-N 2.91Å; D302-N304 VanDerWaalsContact OD1-N 3.08Å; D302-S305 VanDerWaalsContact O-CB 3.27Å; D302-S305 WeakPolarHBondContact O-CB 3.34Å; D302-S305 PolarHBondContact O-N 2.7Å; D302-S305 PolarHBondContact OD1-N 3.12Å; D302-F308 VanDerWaalsContact C-CD2 3.48Å; D302-F308 WeakPolarHBondContact O-CB 3.33Å; D302-F308 WeakPolarHBondContact O-CD2 3.24Å; D302-F308 WeakPolarHBondContact O-CG 3.32Å
303	H	87.5	Confident	88.8	Confident	98 Å²	98	44 Å²	44	45%	0.454	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-23.2	179.8	-64	-78.3	0	0	0	114	F308 Y389	H303-F308 AromaticContact CE1-CE2 3.93Å; H303-F308 AromaticContact CE1-CZ 3.42Å; H303-F308 VanDerWaalsContact CE1-CZ 3.42Å; H303-F308 WeakPolarHBondContact CE1-CZ 3.31Å; H303-F308 AromaticContact CG-CZ 3.99Å; H303-F308 AromaticContact ND1-CE1 3.5Å; H303-F308 WeakPolarHBondContact ND1-CE1 3.48Å; H303-F308 AromaticContact ND1-CE2 3.61Å; H303-F308 AromaticContact ND1-CZ 3.07Å; H303-F308 WeakPolarHBondContact ND1-CZ 3.44Å; H303-Y389 AromaticContact NE2-CD1 3.42Å; H303-Y389 WeakPolarHBondContact NE2-CD1 3.46Å; H303-Y389 AromaticContact NE2-CE1 3.71Å; H303-Y389 AromaticContact NE2-CG 3.98Å
304	N	87.9	Confident	89.1	Confident	147 Å²	147	44.1 Å²	44.1	79%	0.786	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-12.3	-179.7	-65.4	-5.3	0	0	0	111.8	D302	D302-N304 PolarHBondContact O-N 3.46Å; D302-N304 VanDerWaalsContact O-N 3.17Å; D302-N304 PolarHBondContact OD1-N 2.91Å; D302-N304 VanDerWaalsContact OD1-N 3.08Å
305	S	90.3	Very high	89.1	Confident	6 Å²	6	43.5 Å²	43.5	4%	0.042	23%	0.228	C	C	.	.	S	Bend	trans	-70.2	136.5	179.8	-177.2	0	0	0	0	111.1	H299 D302 F307 F308	H299-S305 WeakPolarHBondContact NE2-CB 3.49Å; H299-S305 PolarHBondContact NE2-OG 3.1Å; D302-S305 VanDerWaalsContact O-CB 3.27Å; D302-S305 WeakPolarHBondContact O-CB 3.34Å; D302-S305 PolarHBondContact O-N 2.7Å; D302-S305 PolarHBondContact OD1-N 3.12Å; S305-F307 PolarHBondContact O-N 3.45Å; S305-F307 VanDerWaalsContact O-N 3.08Å; S305-F307 PolarHBondContact OG-N 2.94Å; S305-F308 WeakPolarHBondContact O-CB 3.5Å; S305-F308 PolarHBondContact O-N 3.31Å
306	P	88.4	Confident	89	Confident	28 Å²	28	47.2 Å²	47.2	18%	0.182	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.8	175.1	28.5	-36	0	0	0	112.9	L259 I276 I278 F308	L259-P306 HydrophobicContact CD2-CB 3.54Å; L259-P306 HydrophobicContact CD2-CG 3.67Å; I276-P306 HydrophobicContact CG2-CG 4.33Å; I278-P306 HydrophobicContact CD1-CG 4.26Å; I278-P306 HydrophobicContact CG1-CG 4.17Å; P306-F308 VanDerWaalsContact C-N 3.35Å
307	F	89.3	Confident	88.8	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.009	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-4.5	176.1	-60.9	-75.1	0	0	0	113.6	L238 L259 I278 I301 S305 H309 M310 F320 L322	L238-F307 HydrophobicContact CD2-CE2 3.99Å; L238-F307 HydrophobicContact CD2-CZ 4.13Å; L259-F307 HydrophobicContact CD1-CE1 4.09Å; L259-F307 HydrophobicContact CD1-CZ 3.73Å; I278-F307 HydrophobicContact CD1-CD2 4.49Å; I278-F307 HydrophobicContact CD1-CE2 3.47Å; I278-F307 VanDerWaalsContact CD1-CE2 3.47Å; I278-F307 HydrophobicContact CD1-CZ 3.98Å; I278-F307 HydrophobicContact CG1-CE2 4.41Å; I301-F307 HydrophobicContact CD1-CB 4.06Å; I301-F307 HydrophobicContact CG1-CB 4.14Å; I301-F307 HydrophobicContact CG2-CB 4.01Å; S305-F307 PolarHBondContact O-N 3.45Å; S305-F307 VanDerWaalsContact O-N 3.08Å; S305-F307 PolarHBondContact OG-N 2.94Å; F307-H309 VanDerWaalsContact C-N 3.32Å; F307-H309 PolarHBondContact O-N 2.89Å; F307-M310 HydrophobicContact CD1-CE 4.24Å; F307-M310 HydrophobicContact CD1-SD 3.64Å; F307-M310 HydrophobicContact CE1-SD 4.32Å; F307-M310 WeakPolarHBondContact O-CB 3.27Å; F307-M310 PolarHBondContact O-N 2.85Å; F307-M310 VanDerWaalsContact O-N 3.1Å; F307-F320 HydrophobicContact CE1-CD2 4.48Å; F307-F320 AromaticContact CE1-CE2 3.96Å; F307-F320 HydrophobicContact CE1-CE2 3.96Å; F307-F320 HydrophobicContact CE1-CZ 4.02Å; F307-L322 HydrophobicContact CZ-CD2 4.33Å
308	F	88.3	Confident	88.5	Confident	6 Å²	6	56.1 Å²	56.1	3%	0.026	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-38.7	-172	-173.2	-106.7	0	0	0	113.7	I301 D302 H303 S305 P306 M310 A385 M386 Y389	I301-F308 HydrophobicContact CG2-CB 4.45Å; D302-F308 VanDerWaalsContact C-CD2 3.48Å; D302-F308 WeakPolarHBondContact O-CB 3.33Å; D302-F308 WeakPolarHBondContact O-CD2 3.24Å; D302-F308 WeakPolarHBondContact O-CG 3.32Å; H303-F308 AromaticContact CE1-CE2 3.93Å; H303-F308 AromaticContact CE1-CZ 3.42Å; H303-F308 VanDerWaalsContact CE1-CZ 3.42Å; H303-F308 WeakPolarHBondContact CE1-CZ 3.31Å; H303-F308 AromaticContact CG-CZ 3.99Å; H303-F308 AromaticContact ND1-CE1 3.5Å; H303-F308 WeakPolarHBondContact ND1-CE1 3.48Å; H303-F308 AromaticContact ND1-CE2 3.61Å; H303-F308 AromaticContact ND1-CZ 3.07Å; H303-F308 WeakPolarHBondContact ND1-CZ 3.44Å; S305-F308 WeakPolarHBondContact O-CB 3.5Å; S305-F308 PolarHBondContact O-N 3.31Å; P306-F308 VanDerWaalsContact C-N 3.35Å; F308-M310 VanDerWaalsContact C-N 3.29Å; F308-M310 PolarHBondContact O-N 3.46Å; F308-A385 HydrophobicContact CD2-CB 4.04Å; F308-A385 HydrophobicContact CE2-CB 4.32Å; F308-M386 HydrophobicContact CE1-CB 4.42Å; F308-M386 HydrophobicContact CE1-SD 3.4Å; F308-M386 WeakPolarHBondContact CE1-SD 3.45Å; F308-M386 HydrophobicContact CZ-CB 4.33Å; F308-M386 HydrophobicContact CZ-SD 3.46Å; F308-M386 WeakPolarHBondContact CZ-SD 3.31Å; F308-Y389 AromaticContact CE2-CD2 3.79Å; F308-Y389 HydrophobicContact CE2-CD2 3.79Å; F308-Y389 HydrophobicContact CE2-CE2 4.17Å; F308-Y389 HydrophobicContact CE2-CG 4.31Å
309	H	85.8	Confident	88.2	Confident	163 Å²	163	59.4 Å²	59.4	76%	0.755	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	1.7	179.9	-63.3	-70.6	0	0	0	113.7	F307	F307-H309 VanDerWaalsContact C-N 3.32Å; F307-H309 PolarHBondContact O-N 2.89Å
310	M	86.6	Confident	88	Confident	19 Å²	19	58.9 Å²	58.9	9%	0.094	30%	0.303	C	S	.	.			trans	-89.1	138.2	179.3	-58.9	-174.2	-174.3	0	0	110.8	F307 F308 L315 Q318 F320	F307-M310 HydrophobicContact CD1-CE 4.24Å; F307-M310 HydrophobicContact CD1-SD 3.64Å; F307-M310 HydrophobicContact CE1-SD 4.32Å; F307-M310 WeakPolarHBondContact O-CB 3.27Å; F307-M310 PolarHBondContact O-N 2.85Å; F307-M310 VanDerWaalsContact O-N 3.1Å; F308-M310 VanDerWaalsContact C-N 3.29Å; F308-M310 PolarHBondContact O-N 3.46Å; M310-L315 HydrophobicContact CB-CD1 4.49Å; M310-L315 HydrophobicContact SD-CD1 3.98Å; M310-Q318 HydrophobicContact CE-CG 4.36Å; M310-Q318 HydrophobicContact CG-CG 4.42Å; M310-Q318 HydrophobicContact SD-CG 4.19Å; M310-F320 HydrophobicContact CE-CD1 4Å; M310-F320 HydrophobicContact CE-CE1 4.18Å; M310-F320 HydrophobicContact SD-CD1 4.34Å; M310-F320 HydrophobicContact SD-CE1 3.91Å
311	A	87.6	Confident	88.1	Confident	18 Å²	18	57.8 Å²	57.8	15%	0.149	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-112.9	158.6	172.8	0	0	0	0	0	110.9	E313 T314 L315 H383 C384	A311-E313 VanDerWaalsContact C-N 3.27Å; A311-E313 PolarHBondContact O-N 3.49Å; A311-T314 HydrophobicContact CB-CG2 4.46Å; A311-T314 PolarHBondContact N-OG1 3Å; A311-T314 PolarHBondContact O-N 3.46Å; A311-T314 PolarHBondContact O-OG1 3.34Å; A311-L315 PolarHBondContact O-N 2.98Å; A311-H383 WeakPolarHBondContact CA-O 3.2Å; A311-C384 HydrophobicContact CB-CB 3.94Å
312	A	87.1	Confident	88.2	Confident	25 Å²	25	57.8 Å²	57.8	21%	0.207	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-44.3	-177	0	0	0	0	0	113.1	W350 H383	A312-W350 HydrophobicContact CB-CB 4.15Å; A312-W350 HydrophobicContact CB-CD2 3.78Å; A312-W350 HydrophobicContact CB-CE3 4.47Å; A312-W350 HydrophobicContact CB-CG 3.59Å; A312-H383 PolarHBondContact N-O 3.19Å
313	E	85.1	Confident	88.6	Confident	143 Å²	143	55 Å²	55	67%	0.668	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-36.6	179.6	-74.6	169	-159.7	0	0	113.2	A311 H383	A311-E313 VanDerWaalsContact C-N 3.27Å; A311-E313 PolarHBondContact O-N 3.49Å; E313-H383 VanDerWaalsContact CG-NE2 3.34Å; E313-H383 WeakPolarHBondContact CG-NE2 3.34Å; E313-H383 IonicContact OE1-CD2 3.57Å; E313-H383 IonicContact OE1-CE1 3.91Å; E313-H383 IonicContact OE1-NE2 3.73Å; E313-H383 PolarHBondContact OE1-NE2 2.99Å; E313-H383 IonicContact OE2-CE1 3.68Å; E313-H383 IonicContact OE2-NE2 2.78Å
314	T	86.1	Confident	89	Confident	46 Å²	46	50.3 Å²	50.3	28%	0.282	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-20.6	-176.2	60.1	0	0	0	0	112.9	A311 I316 Q317 Q318	A311-T314 HydrophobicContact CB-CG2 4.46Å; A311-T314 PolarHBondContact N-OG1 3Å; A311-T314 PolarHBondContact O-N 3.46Å; A311-T314 PolarHBondContact O-OG1 3.34Å; T314-I316 VanDerWaalsContact C-N 3.33Å; T314-I316 PolarHBondContact O-N 2.95Å; T314-Q317 WeakPolarHBondContact O-CB 3.44Å; T314-Q317 PolarHBondContact O-N 3.45Å; T314-Q318 WeakPolarHBondContact O-CG 3.31Å; T314-Q318 PolarHBondContact O-N 3.43Å; T314-Q318 VanDerWaalsContact O-N 3.16Å
315	L	87.5	Confident	89.2	Confident	2 Å²	2	44.9 Å²	44.9	1%	0.01	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-45.8	-171.8	-172	74.2	0	0	0	112.4	I229 M310 A311 Q317 Q318 F320 P345 V348 W350	I229-L315 HydrophobicContact CD1-CD2 4.35Å; M310-L315 HydrophobicContact CB-CD1 4.49Å; M310-L315 HydrophobicContact SD-CD1 3.98Å; A311-L315 PolarHBondContact O-N 2.98Å; L315-Q317 PolarHBondContact O-N 3.07Å; L315-Q318 WeakPolarHBondContact O-CB 3.23Å; L315-Q318 PolarHBondContact O-N 3.35Å; L315-F320 HydrophobicContact CD1-CE1 4.01Å; L315-F320 HydrophobicContact CD1-CZ 3.97Å; L315-P345 VanDerWaalsContact O-CB 3.31Å; L315-P345 WeakPolarHBondContact O-CB 3.4Å; L315-V348 HydrophobicContact CD2-CB 3.95Å; L315-V348 HydrophobicContact CD2-CG1 3.86Å; L315-V348 WeakPolarHBondContact CD2-O 3.43Å; L315-W350 HydrophobicContact CD2-CE3 4.26Å
316	I	86.3	Confident	89.3	Confident	103 Å²	103	44.6 Å²	44.6	53%	0.528	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-26.2	-177.7	-57.1	171.3	0	0	0	111.3	R68 T314	R68-I316 PolarHBondContact NH2-O 3.28Å; T314-I316 VanDerWaalsContact C-N 3.33Å; T314-I316 PolarHBondContact O-N 2.95Å
317	Q	86.8	Confident	89.4	Confident	144 Å²	144	45.3 Å²	45.3	67%	0.673	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-29.9	-179.7	-60.8	176	-5.2	0	0	112	R68 T314 L315	R68-Q317 PolarHBondContact NH2-O 3.47Å; T314-Q317 WeakPolarHBondContact O-CB 3.44Å; T314-Q317 PolarHBondContact O-N 3.45Å; L315-Q317 PolarHBondContact O-N 3.07Å
318	Q	85.9	Confident	89.4	Confident	78 Å²	78	45.5 Å²	45.5	36%	0.364	23%	0.231	S	C	.	.	S	Bend	trans	-58.4	149.9	179.7	-64.4	-55.7	-49	0	0	112.1	R68 M310 T314 L315 F320 P345	R68-Q318 PolarHBondContact NH1-O 3.02Å; M310-Q318 HydrophobicContact CE-CG 4.36Å; M310-Q318 HydrophobicContact CG-CG 4.42Å; M310-Q318 HydrophobicContact SD-CG 4.19Å; T314-Q318 WeakPolarHBondContact O-CG 3.31Å; T314-Q318 PolarHBondContact O-N 3.43Å; T314-Q318 VanDerWaalsContact O-N 3.16Å; L315-Q318 WeakPolarHBondContact O-CB 3.23Å; L315-Q318 PolarHBondContact O-N 3.35Å; Q318-F320 HydrophobicContact CB-CD1 3.68Å; Q318-F320 HydrophobicContact CB-CE1 3.84Å; Q318-P345 VanDerWaalsContact O-CG 3.29Å; Q318-P345 WeakPolarHBondContact O-CG 3.18Å
319	D	87.8	Confident	89.4	Confident	102 Å²	102	47.2 Å²	47.2	55%	0.545	24%	0.242	S	C	.	.			trans	-111.1	93.1	175.7	-158.5	31.1	0	0	0	111.5	R68	R68-D319 WeakPolarHBondContact CD-OD1 3.39Å; R68-D319 IonicContact CZ-OD1 2.69Å; R68-D319 IonicContact NE-OD1 3Å; R68-D319 IonicContact NH1-OD1 3.97Å; R68-D319 PolarHBondContact NH1-OD1 2.76Å
320	F	91.3	Very high	89.5	Confident	9 Å²	9	39.5 Å²	39.5	4%	0.039	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	156.6	176.2	69.3	-97.3	0	0	0	111.1	L259 L260 K261 F307 M310 L315 Q318 P345 V348	L259-F320 HydrophobicContact CD1-CB 3.88Å; L259-F320 HydrophobicContact CD1-CD2 3.45Å; L259-F320 VanDerWaalsContact CD1-CD2 3.45Å; L259-F320 HydrophobicContact CD1-CE2 4.24Å; L259-F320 HydrophobicContact CD1-CG 3.86Å; L259-F320 HydrophobicContact CG-CB 4.29Å; L260-F320 CarbonylContact O-C 3.52Å; L260-F320 WeakPolarHBondContact O-CA 3.21Å; K261-F320 HydrophobicContact CB-CB 4.28Å; F307-F320 HydrophobicContact CE1-CD2 4.48Å; F307-F320 AromaticContact CE1-CE2 3.96Å; F307-F320 HydrophobicContact CE1-CE2 3.96Å; F307-F320 HydrophobicContact CE1-CZ 4.02Å; M310-F320 HydrophobicContact CE-CD1 4Å; M310-F320 HydrophobicContact CE-CE1 4.18Å; M310-F320 HydrophobicContact SD-CD1 4.34Å; M310-F320 HydrophobicContact SD-CE1 3.91Å; L315-F320 HydrophobicContact CD1-CE1 4.01Å; L315-F320 HydrophobicContact CD1-CZ 3.97Å; Q318-F320 HydrophobicContact CB-CD1 3.68Å; Q318-F320 HydrophobicContact CB-CE1 3.84Å; F320-P345 HydrophobicContact CD1-CG 3.93Å; F320-P345 HydrophobicContact CD2-CG 4.39Å; F320-P345 HydrophobicContact CE1-CB 3.9Å; F320-P345 HydrophobicContact CE1-CG 3.8Å; F320-P345 HydrophobicContact CE2-CG 4.28Å; F320-P345 HydrophobicContact CG-CG 4.22Å; F320-P345 HydrophobicContact CZ-CB 3.95Å; F320-P345 HydrophobicContact CZ-CG 3.99Å; F320-P345 WeakPolarHBondContact O-CD 3.35Å; F320-P345 WeakPolarHBondContact O-CG 3.48Å; F320-V348 HydrophobicContact CE2-CG2 4.36Å; F320-V348 HydrophobicContact CZ-CG2 4.4Å
321	E	94.1	Very high	89.3	Confident	14 Å²	14	43.1 Å²	43.1	7%	0.065	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	120.1	167.4	-177.8	179.1	168.1	0	0	108.8	R70 L71 V72 L260 V323 S342	R70-E321 VanDerWaalsContact CG-OE1 3.32Å; R70-E321 WeakPolarHBondContact CG-OE1 3.24Å; L71-E321 WeakPolarHBondContact CB-OE2 3.31Å; L71-E321 PolarHBondContact N-OE2 3.49Å; V72-E321 PolarHBondContact N-OE1 2.84Å; L260-E321 HydrophobicContact CB-CB 4.31Å; L260-E321 WeakPolarHBondContact CB-O 3.42Å; L260-E321 PolarHBondContact N-O 3.43Å; L260-E321 PolarHBondContact O-N 2.9Å; E321-V323 HydrophobicContact CG-CG2 4.2Å; E321-S342 WeakPolarHBondContact OE1-CB 3.46Å; E321-S342 PolarHBondContact OE1-OG 2.9Å
322	L	94.9	Very high	89.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	109	174.4	172.6	63.2	0	0	0	109.5	L238 I240 L259 I278 F280 F307 V324 S342 Y343	L238-L322 HydrophobicContact CD2-CD2 3.5Å; I240-L322 HydrophobicContact CD1-CD2 4.21Å; L259-L322 HydrophobicContact CD1-CB 4.22Å; I278-L322 HydrophobicContact CD1-CD1 3.39Å; F280-L322 HydrophobicContact CZ-CD2 4.4Å; F307-L322 HydrophobicContact CZ-CD2 4.33Å; L322-V324 HydrophobicContact CD1-CG2 4.5Å; L322-V324 HydrophobicContact CD2-CG2 4.4Å; L322-V324 HydrophobicContact CG-CG2 4.08Å; L322-S342 CarbonylContact O-C 3.58Å; L322-S342 VanDerWaalsContact O-CA 3.23Å; L322-S342 WeakPolarHBondContact O-CA 3.46Å; L322-Y343 HydrophobicContact CD2-CD2 4.44Å; L322-Y343 PolarHBondContact N-O 2.98Å; L322-Y343 PolarHBondContact O-N 3.26Å
323	V	95.7	Very high	89	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	128.4	173.8	-170.8	0	0	0	0	109.4	V72 G257 K258 L260 E321 F325 T341	V72-V323 HydrophobicContact CB-CG1 4.32Å; V72-V323 HydrophobicContact CB-CG2 4.3Å; V72-V323 HydrophobicContact CG1-CG1 4.35Å; V72-V323 HydrophobicContact CG2-CG1 4.09Å; V72-V323 HydrophobicContact CG2-CG2 4.06Å; G257-V323 CarbonylContact C-O 3.55Å; G257-V323 VanDerWaalsContact CA-O 3.22Å; G257-V323 WeakPolarHBondContact CA-O 3.48Å; K258-V323 PolarHBondContact N-O 3.24Å; K258-V323 PolarHBondContact O-N 3.46Å; L260-V323 HydrophobicContact CD1-CG2 3.56Å; L260-V323 HydrophobicContact CG-CG2 4.12Å; E321-V323 HydrophobicContact CG-CG2 4.2Å; V323-F325 HydrophobicContact CB-CE2 3.82Å; V323-F325 HydrophobicContact CB-CZ 4.2Å; V323-F325 HydrophobicContact CG1-CD2 4.19Å; V323-F325 HydrophobicContact CG1-CE1 4.29Å; V323-F325 HydrophobicContact CG1-CE2 3.42Å; V323-F325 VanDerWaalsContact CG1-CE2 3.42Å; V323-F325 HydrophobicContact CG1-CZ 3.47Å; V323-F325 VanDerWaalsContact CG1-CZ 3.47Å; V323-T341 CarbonylContact C-O 3.44Å; V323-T341 WeakPolarHBondContact CA-O 3.47Å
324	V	95.3	Very high	89.1	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	133.4	179.1	-177.1	0	0	0	0	109.7	F223 I240 I255 F280 I297 L322 R340 T341 Y343	F223-V324 HydrophobicContact CE1-CG1 4.01Å; F223-V324 HydrophobicContact CZ-CG1 4.45Å; I240-V324 HydrophobicContact CD1-CG2 3.71Å; I255-V324 HydrophobicContact CG2-CG1 4.23Å; F280-V324 HydrophobicContact CE2-CG1 4.07Å; F280-V324 HydrophobicContact CE2-CG2 3.88Å; F280-V324 HydrophobicContact CZ-CG2 3.93Å; I297-V324 HydrophobicContact CD1-CG1 4.18Å; L322-V324 HydrophobicContact CD1-CG2 4.5Å; L322-V324 HydrophobicContact CD2-CG2 4.4Å; L322-V324 HydrophobicContact CG-CG2 4.08Å; V324-R340 VanDerWaalsContact O-CA 3.28Å; V324-R340 WeakPolarHBondContact O-CA 3.46Å; V324-T341 HydrophobicContact CB-CG2 4.08Å; V324-T341 PolarHBondContact N-O 3.4Å; V324-T341 PolarHBondContact O-N 2.84Å; V324-Y343 HydrophobicContact CG2-CD2 4.16Å; V324-Y343 HydrophobicContact CG2-CE2 3.97Å
325	F	93.9	Very high	89.1	Confident	32 Å²	32	45.2 Å²	45.2	14%	0.14	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.6	-177.8	-59.1	-102.4	0	0	0	109.2	I255 Y256 K258 V323 Q338 V339 R340	I255-F325 WeakPolarHBondContact CA-O 3.12Å; Y256-F325 HydrophobicContact CD1-CB 4.13Å; Y256-F325 HydrophobicContact CD2-CB 4.08Å; Y256-F325 AromaticContact CD2-CD2 3.98Å; Y256-F325 HydrophobicContact CD2-CD2 3.98Å; Y256-F325 HydrophobicContact CD2-CG 4.24Å; Y256-F325 HydrophobicContact CE1-CB 3.7Å; Y256-F325 HydrophobicContact CE2-CB 3.63Å; Y256-F325 HydrophobicContact CE2-CD1 4.28Å; Y256-F325 AromaticContact CE2-CD2 3.65Å; Y256-F325 HydrophobicContact CE2-CD2 3.65Å; Y256-F325 HydrophobicContact CE2-CE2 4.41Å; Y256-F325 AromaticContact CE2-CG 3.61Å; Y256-F325 HydrophobicContact CE2-CG 3.61Å; Y256-F325 HydrophobicContact CG-CB 4.32Å; Y256-F325 VanDerWaalsContact CZ-CB 3.43Å; Y256-F325 AromaticContact CZ-CG 3.79Å; Y256-F325 PolarHBondContact N-O 3.44Å; Y256-F325 VanDerWaalsContact N-O 3.14Å; Y256-F325 PolarHBondContact O-N 2.86Å; K258-F325 HydrophobicContact CB-CE2 4.08Å; K258-F325 HydrophobicContact CG-CD2 4.41Å; K258-F325 HydrophobicContact CG-CE2 3.76Å; V323-F325 HydrophobicContact CB-CE2 3.82Å; V323-F325 HydrophobicContact CB-CZ 4.2Å; V323-F325 HydrophobicContact CG1-CD2 4.19Å; V323-F325 HydrophobicContact CG1-CE1 4.29Å; V323-F325 HydrophobicContact CG1-CE2 3.42Å; V323-F325 VanDerWaalsContact CG1-CE2 3.42Å; V323-F325 HydrophobicContact CG1-CZ 3.47Å; V323-F325 VanDerWaalsContact CG1-CZ 3.47Å; F325-Q338 HydrophobicContact CD1-CG 4.47Å; F325-V339 WeakPolarHBondContact CA-O 3.42Å; F325-R340 HydrophobicContact CD1-CB 4.5Å; F325-R340 HydrophobicContact CD1-CG 3.44Å; F325-R340 VanDerWaalsContact CD1-CG 3.44Å; F325-R340 HydrophobicContact CE1-CG 3.76Å; F325-R340 HydrophobicContact CG-CG 4.24Å
326	L	91.4	Very high	89.2	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	112.9	165.8	171.2	75	0	0	0	107.3	I221 F223 V242 L250 H254 I255 F291 Q338 V339	I221-L326 HydrophobicContact CD1-CD2 3.81Å; I221-L326 HydrophobicContact CG2-CD2 3.65Å; F223-L326 HydrophobicContact CZ-CB 3.88Å; V242-L326 HydrophobicContact CG2-CD2 4.26Å; L250-L326 HydrophobicContact CD2-CD1 4.42Å; L250-L326 HydrophobicContact CD2-CD2 4.04Å; L250-L326 HydrophobicContact CD2-CG 4.21Å; H254-L326 WeakPolarHBondContact O-CA 3.31Å; I255-L326 HydrophobicContact CD1-CD1 3.81Å; I255-L326 HydrophobicContact CG1-CB 4.37Å; I255-L326 HydrophobicContact CG1-CD1 3.3Å; I255-L326 HydrophobicContact CG1-CG 4.42Å; F291-L326 HydrophobicContact CE2-CD1 4.07Å; F291-L326 HydrophobicContact CZ-CD1 3.86Å; F291-L326 HydrophobicContact CZ-CD2 4.34Å; L326-Q338 CarbonylContact O-C 3.51Å; L326-Q338 WeakPolarHBondContact O-CA 3.33Å; L326-V339 PolarHBondContact N-O 3.5Å; L326-V339 PolarHBondContact O-N 2.85Å
327	D	90.4	Very high	89.3	Confident	43 Å²	43	46.2 Å²	46.2	23%	0.23	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	143.3	171.9	-68.7	-27.9	0	0	0	109.1	S253 H254 Y256 Q338	S253-D327 CarbonylContact C-O 3.49Å; S253-D327 VanDerWaalsContact CA-O 3.23Å; S253-D327 WeakPolarHBondContact CA-O 3.31Å; H254-D327 PolarHBondContact N-O 2.91Å; H254-D327 PolarHBondContact O-N 3.24Å; Y256-D327 WeakPolarHBondContact CE1-OD2 3.03Å; Y256-D327 PolarHBondContact OH-OD2 2.92Å; D327-Q338 WeakPolarHBondContact OD1-CB 3.27Å; D327-Q338 WeakPolarHBondContact OD1-CG 3.27Å; D327-Q338 PolarHBondContact OD1-NE2 3.33Å; D327-Q338 PolarHBondContact OD2-NE2 3.23Å
328	G	89.2	Confident	89.5	Confident	6 Å²	6	43 Å²	43	6%	0.062	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.1	171.2	171.5	0	0	0	0	0	112.9	C337	G328-C337 PolarHBondContact N-O 2.9Å; G328-C337 PolarHBondContact O-N 3.35Å
329	T	89.1	Confident	89.7	Confident	41 Å²	41	39.9 Å²	39.9	25%	0.252	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130.1	-174.3	-59.9	0	0	0	0	110.9	L250 I251 E331 S334	L250-T329 WeakPolarHBondContact CD1-O 3.36Å; I251-T329 PolarHBondContact N-O 3.5Å; I251-T329 PolarHBondContact O-N 2.92Å; T329-E331 PolarHBondContact O-N 3.29Å; T329-S334 VanDerWaalsContact CG2-C 3.48Å; T329-S334 WeakPolarHBondContact CG2-O 3.45Å
330	V	86.4	Confident	90	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	118.5	-178.5	-176.5	0	0	0	0	110	P214 R217 L250 S332 T333 S334 A335 C337	P214-V330 HydrophobicContact CB-CG2 4.04Å; R217-V330 HydrophobicContact CB-CG2 4.27Å; R217-V330 HydrophobicContact CG-CG1 4.12Å; R217-V330 HydrophobicContact CG-CG2 3.77Å; L250-V330 HydrophobicContact CD1-CG2 4.3Å; V330-S332 VanDerWaalsContact C-N 3.32Å; V330-S332 PolarHBondContact O-N 2.94Å; V330-T333 PolarHBondContact O-N 2.74Å; V330-T333 VanDerWaalsContact O-N 3.17Å; V330-S334 WeakPolarHBondContact O-CA 3.37Å; V330-S334 PolarHBondContact O-N 3.34Å; V330-A335 PolarHBondContact N-O 2.91Å; V330-C337 HydrophobicContact CG2-CB 3.85Å
331	E	84	Confident	90.2	Very high	95 Å²	95	38.6 Å²	38.6	44%	0.444	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-45.5	-177.1	-179.3	-179.6	-157.5	0	0	114.4	L249 I251 T329 T333	L249-E331 PolarHBondContact N-OE2 3.48Å; I251-E331 HydrophobicContact CD1-CB 4.19Å; I251-E331 HydrophobicContact CD1-CG 4.34Å; T329-E331 PolarHBondContact O-N 3.29Å; E331-T333 PolarHBondContact O-N 2.85Å
332	S	83.6	Confident	90.2	Very high	82 Å²	82	38 Å²	38	57%	0.573	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-22.8	-174.1	58.3	0	0	0	0	115.1	V330	V330-S332 VanDerWaalsContact C-N 3.32Å; V330-S332 PolarHBondContact O-N 2.94Å
333	T	85.3	Confident	90.2	Very high	70 Å²	70	38 Å²	38	43%	0.429	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-7	-171.7	48.9	0	0	0	0	113	V330 E331 A335	V330-T333 PolarHBondContact O-N 2.74Å; V330-T333 VanDerWaalsContact O-N 3.17Å; E331-T333 PolarHBondContact O-N 2.85Å; T333-A335 PolarHBondContact O-N 3.25Å
334	S	86.5	Confident	90.1	Very high	98 Å²	98	38.7 Å²	38.7	69%	0.685	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	20.1	-171.4	-56.8	0	0	0	0	114.5	T329 V330	T329-S334 VanDerWaalsContact CG2-C 3.48Å; T329-S334 WeakPolarHBondContact CG2-O 3.45Å; V330-S334 WeakPolarHBondContact O-CA 3.37Å; V330-S334 PolarHBondContact O-N 3.34Å
335	A	86.7	Confident	90	Very high	26 Å²	26	38.9 Å²	38.9	22%	0.215	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	138.3	-179.5	0	0	0	0	0	109.8	P214 V330 T333	P214-A335 HydrophobicContact CB-CB 4.41Å; P214-A335 HydrophobicContact CG-CB 3.75Å; V330-A335 PolarHBondContact N-O 2.91Å; T333-A335 PolarHBondContact O-N 3.25Å
336	T	88.8	Confident	89.9	Confident	116 Å²	116	42.1 Å²	42.1	71%	0.712	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	142.6	175.7	55.5	0	0	0	0	110.7
337	C	88.2	Confident	90	Very high	10 Å²	10	43.8 Å²	43.8	7%	0.068	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	125.3	-178	178.8	0	0	0	0	108.8	G328 V330	G328-C337 PolarHBondContact N-O 2.9Å; G328-C337 PolarHBondContact O-N 3.35Å; V330-C337 HydrophobicContact CG2-CB 3.85Å
338	Q	90.1	Very high	90.2	Very high	76 Å²	76	42 Å²	42	36%	0.355	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.8	172.5	176.1	168.6	96.5	0	0	109.4	Y256 F325 L326 D327 R340	Y256-Q338 PolarHBondContact OH-NE2 2.83Å; F325-Q338 HydrophobicContact CD1-CG 4.47Å; L326-Q338 CarbonylContact O-C 3.51Å; L326-Q338 WeakPolarHBondContact O-CA 3.33Å; D327-Q338 WeakPolarHBondContact OD1-CB 3.27Å; D327-Q338 WeakPolarHBondContact OD1-CG 3.27Å; D327-Q338 PolarHBondContact OD1-NE2 3.33Å; D327-Q338 PolarHBondContact OD2-NE2 3.23Å; Q338-R340 HydrophobicContact CG-CG 3.89Å
339	V	91.7	Very high	90.4	Very high	13 Å²	13	43.8 Å²	43.8	8%	0.079	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138.1	174.4	-165.7	0	0	0	0	108.7	A218 I221 F223 F325 L326	A218-V339 HydrophobicContact CB-CG2 3.83Å; I221-V339 HydrophobicContact CB-CG1 4.35Å; I221-V339 HydrophobicContact CB-CG2 4.16Å; I221-V339 HydrophobicContact CD1-CG2 3.95Å; I221-V339 HydrophobicContact CG1-CG2 4.47Å; F223-V339 HydrophobicContact CE2-CB 4.31Å; F223-V339 HydrophobicContact CE2-CG1 3.88Å; F325-V339 WeakPolarHBondContact CA-O 3.42Å; L326-V339 PolarHBondContact N-O 3.5Å; L326-V339 PolarHBondContact O-N 2.85Å
340	R	93.4	Very high	90.7	Very high	80 Å²	80	43.3 Å²	43.3	30%	0.302	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	148.3	-172.7	-57.9	177.7	-69.8	-150.7	10.6	110.8	G76 V324 F325 Q338	G76-R340 WeakPolarHBondContact CA-O 3.32Å; G76-R340 PolarHBondContact N-O 3.37Å; V324-R340 VanDerWaalsContact O-CA 3.28Å; V324-R340 WeakPolarHBondContact O-CA 3.46Å; F325-R340 HydrophobicContact CD1-CB 4.5Å; F325-R340 HydrophobicContact CD1-CG 3.44Å; F325-R340 VanDerWaalsContact CD1-CG 3.44Å; F325-R340 HydrophobicContact CE1-CG 3.76Å; F325-R340 HydrophobicContact CG-CG 4.24Å; Q338-R340 HydrophobicContact CG-CG 3.89Å
341	T	95.1	Very high	91	Very high	4 Å²	4	43.5 Å²	43.5	3%	0.025	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	164.2	169.3	-170.9	0	0	0	0	109.1	K74 F223 V323 V324 Y343	K74-T341 PolarHBondContact O-OG1 3.41Å; F223-T341 HydrophobicContact CB-CG2 3.68Å; F223-T341 HydrophobicContact CD1-CG2 3.9Å; F223-T341 HydrophobicContact CD2-CG2 3.49Å; F223-T341 VanDerWaalsContact CD2-CG2 3.49Å; F223-T341 HydrophobicContact CE1-CG2 4.37Å; F223-T341 HydrophobicContact CE2-CG2 4Å; F223-T341 HydrophobicContact CG-CG2 3.41Å; F223-T341 VanDerWaalsContact CG-CG2 3.41Å; F223-T341 HydrophobicContact CZ-CG2 4.41Å; V323-T341 CarbonylContact C-O 3.44Å; V323-T341 WeakPolarHBondContact CA-O 3.47Å; V324-T341 HydrophobicContact CB-CG2 4.08Å; V324-T341 PolarHBondContact N-O 3.4Å; V324-T341 PolarHBondContact O-N 2.84Å; T341-Y343 HydrophobicContact CG2-CD2 4.49Å; T341-Y343 HydrophobicContact CG2-CE2 3.6Å
342	S	95.3	Very high	91.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	158.1	173	65.4	0	0	0	0	111.8	R70 V72 K74 E321 L322	R70-S342 WeakPolarHBondContact CD-OG 3.45Å; R70-S342 PolarHBondContact NE-OG 3.16Å; V72-S342 WeakPolarHBondContact O-CB 3.28Å; V72-S342 PolarHBondContact O-OG 3.14Å; K74-S342 VanDerWaalsContact CD-O 3.3Å; K74-S342 WeakPolarHBondContact CD-O 3.34Å; K74-S342 VanDerWaalsContact CE-O 3.25Å; K74-S342 WeakPolarHBondContact CE-O 3.26Å; K74-S342 PolarHBondContact NZ-O 2.85Å; E321-S342 WeakPolarHBondContact OE1-CB 3.46Å; E321-S342 PolarHBondContact OE1-OG 2.9Å; L322-S342 CarbonylContact O-C 3.58Å; L322-S342 VanDerWaalsContact O-CA 3.23Å; L322-S342 WeakPolarHBondContact O-CA 3.46Å
343	Y	95.1	Very high	91.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	118.9	169.3	-58.9	-88.2	0	0	0	108.7	S224 A227 I240 L322 V324 T341 E347	S224-Y343 WeakPolarHBondContact O-CE1 3.35Å; S224-Y343 PolarHBondContact O-OH 2.86Å; A227-Y343 HydrophobicContact CB-CD1 3.78Å; A227-Y343 HydrophobicContact CB-CE1 4.08Å; A227-Y343 HydrophobicContact CB-CG 4.02Å; I240-Y343 HydrophobicContact CD1-CD2 3.96Å; I240-Y343 HydrophobicContact CD1-CE2 3.56Å; I240-Y343 HydrophobicContact CG1-CE2 4.13Å; I240-Y343 HydrophobicContact CG2-CE2 4.18Å; I240-Y343 WeakPolarHBondContact CG2-OH 3.34Å; L322-Y343 HydrophobicContact CD2-CD2 4.44Å; L322-Y343 PolarHBondContact N-O 2.98Å; L322-Y343 PolarHBondContact O-N 3.26Å; V324-Y343 HydrophobicContact CG2-CD2 4.16Å; V324-Y343 HydrophobicContact CG2-CE2 3.97Å; T341-Y343 HydrophobicContact CG2-CD2 4.49Å; T341-Y343 HydrophobicContact CG2-CE2 3.6Å; Y343-E347 WeakPolarHBondContact CA-OE2 3.43Å; Y343-E347 HydrophobicContact CD1-CB 4.47Å
344	V	93.5	Very high	92.3	Very high	18 Å²	18	42.6 Å²	42.6	11%	0.109	22%	0.215	C	C	.	.			trans	-84.4	165.2	168.4	-59.3	0	0	0	0	109.1	E346 E347	V344-E346 HydrophobicContact CG2-CB 4.33Å; V344-E346 PolarHBondContact O-N 2.86Å; V344-E347 HydrophobicContact CG2-CB 4.31Å; V344-E347 HydrophobicContact CG2-CG 3.7Å; V344-E347 PolarHBondContact N-OE2 3.48Å; V344-E347 VanDerWaalsContact N-OE2 3.12Å; V344-E347 WeakPolarHBondContact O-CA 3.46Å; V344-E347 WeakPolarHBondContact O-CB 3.37Å; V344-E347 PolarHBondContact O-N 3.48Å
345	P	92.7	Very high	92.5	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.026	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-60.8	-34.8	-172.4	-22.1	35	0	0	0	112.8	L315 Q318 F320 E347 V348	L315-P345 VanDerWaalsContact O-CB 3.31Å; L315-P345 WeakPolarHBondContact O-CB 3.4Å; Q318-P345 VanDerWaalsContact O-CG 3.29Å; Q318-P345 WeakPolarHBondContact O-CG 3.18Å; F320-P345 HydrophobicContact CD1-CG 3.93Å; F320-P345 HydrophobicContact CD2-CG 4.39Å; F320-P345 HydrophobicContact CE1-CB 3.9Å; F320-P345 HydrophobicContact CE1-CG 3.8Å; F320-P345 HydrophobicContact CE2-CG 4.28Å; F320-P345 HydrophobicContact CG-CG 4.22Å; F320-P345 HydrophobicContact CZ-CB 3.95Å; F320-P345 HydrophobicContact CZ-CG 3.99Å; F320-P345 WeakPolarHBondContact O-CD 3.35Å; F320-P345 WeakPolarHBondContact O-CG 3.48Å; P345-E347 PolarHBondContact O-N 3.44Å; P345-V348 PolarHBondContact O-N 3.26Å; P345-V348 VanDerWaalsContact O-N 3.16Å
346	E	91.5	Very high	92.5	Very high	100 Å²	100	41.5 Å²	41.5	47%	0.467	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-62.3	-20.7	174.4	-59.6	-179.6	176.4	0	0	113.6	S65 V344	S65-E346 PolarHBondContact OG-OE1 3.38Å; S65-E346 VanDerWaalsContact OG-OE1 3.14Å; S65-E346 PolarHBondContact OG-OE2 3.46Å; V344-E346 HydrophobicContact CG2-CB 4.33Å; V344-E346 PolarHBondContact O-N 2.86Å
347	E	93.6	Very high	92.5	Very high	36 Å²	36	36.6 Å²	36.6	17%	0.168	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-98.6	-1.3	-179.1	-63.3	172	152.3	0	0	112.9	R70 K74 N226 A227 Y343 V344 P345	R70-E347 IonicContact CZ-OE1 2.81Å; R70-E347 IonicContact NH1-OE1 2.63Å; R70-E347 IonicContact NH2-OE1 3.09Å; R70-E347 PolarHBondContact NH2-OE1 3.44Å; R70-E347 IonicContact NH2-OE2 3.95Å; R70-E347 PolarHBondContact NH2-OE2 2.73Å; K74-E347 WeakPolarHBondContact CE-OE1 3.41Å; K74-E347 WeakPolarHBondContact CE-OE2 3.38Å; K74-E347 IonicContact NZ-OE1 2.69Å; K74-E347 IonicContact NZ-OE2 3.55Å; K74-E347 PolarHBondContact NZ-OE2 3.38Å; N226-E347 VanDerWaalsContact CA-O 3.28Å; N226-E347 WeakPolarHBondContact CA-O 3.42Å; N226-E347 WeakPolarHBondContact CB-O 3.42Å; N226-E347 PolarHBondContact ND2-O 3.42Å; A227-E347 PolarHBondContact N-O 2.87Å; Y343-E347 WeakPolarHBondContact CA-OE2 3.43Å; Y343-E347 HydrophobicContact CD1-CB 4.47Å; V344-E347 HydrophobicContact CG2-CB 4.31Å; V344-E347 HydrophobicContact CG2-CG 3.7Å; V344-E347 PolarHBondContact N-OE2 3.48Å; V344-E347 VanDerWaalsContact N-OE2 3.12Å; V344-E347 WeakPolarHBondContact O-CA 3.46Å; V344-E347 WeakPolarHBondContact O-CB 3.37Å; V344-E347 PolarHBondContact O-N 3.48Å; P345-E347 PolarHBondContact O-N 3.44Å
348	V	94.4	Very high	92.3	Very high	6 Å²	6	39.4 Å²	39.4	4%	0.036	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	109.8	174.8	-173.4	0	0	0	0	108.6	A227 I229 L238 L315 F320 P345	A227-V348 HydrophobicContact CB-CG1 4.49Å; A227-V348 HydrophobicContact CB-CG2 4.3Å; A227-V348 CarbonylContact O-C 3.53Å; A227-V348 WeakPolarHBondContact O-CA 3.28Å; I229-V348 HydrophobicContact CD1-CG1 3.65Å; I229-V348 HydrophobicContact CG1-CG1 3.9Å; L238-V348 HydrophobicContact CD1-CG1 3.79Å; L315-V348 HydrophobicContact CD2-CB 3.95Å; L315-V348 HydrophobicContact CD2-CG1 3.86Å; L315-V348 WeakPolarHBondContact CD2-O 3.43Å; F320-V348 HydrophobicContact CE2-CG2 4.36Å; F320-V348 HydrophobicContact CZ-CG2 4.4Å; P345-V348 PolarHBondContact O-N 3.26Å; P345-V348 VanDerWaalsContact O-N 3.16Å
349	L	94.4	Very high	92.1	Very high	43 Å²	43	38.8 Å²	38.8	23%	0.225	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	114.9	-175	-55.6	177.3	0	0	0	110.8	N226 A227 V228 I229 Y352 T376	N226-L349 HydrophobicContact CB-CD1 3.87Å; N226-L349 HydrophobicContact CB-CG 4.13Å; A227-L349 PolarHBondContact O-N 2.97Å; V228-L349 CarbonylContact C-O 3.58Å; V228-L349 VanDerWaalsContact CA-O 3.26Å; V228-L349 WeakPolarHBondContact CA-O 3.49Å; V228-L349 HydrophobicContact CG1-CB 4.28Å; I229-L349 PolarHBondContact N-O 3.49Å; L349-Y352 HydrophobicContact CB-CD2 3.54Å; L349-Y352 HydrophobicContact CB-CE2 4.23Å; L349-Y352 HydrophobicContact CB-CG 4.02Å; L349-T376 HydrophobicContact CD1-CG2 4.39Å
350	W	93.8	Very high	91.8	Very high	31 Å²	31	45.2 Å²	45.2	12%	0.117	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	136.7	175.7	-162.4	-72.9	0	0	0	111.6	I229 L236 A312 L315 Y352 P382 H383	I229-W350 HydrophobicContact CB-CD2 4.24Å; I229-W350 HydrophobicContact CB-CE3 4.15Å; I229-W350 HydrophobicContact CD1-CD2 4.46Å; I229-W350 HydrophobicContact CD1-CE3 3.55Å; I229-W350 HydrophobicContact CD1-CZ3 3.78Å; I229-W350 HydrophobicContact CG1-CE3 4.44Å; I229-W350 HydrophobicContact CG2-CD2 4.01Å; I229-W350 HydrophobicContact CG2-CE3 3.97Å; I229-W350 HydrophobicContact CG2-CH2 4.36Å; I229-W350 HydrophobicContact CG2-CZ2 4.37Å; I229-W350 HydrophobicContact CG2-CZ3 4.16Å; L236-W350 HydrophobicContact CD1-CZ2 4.38Å; L236-W350 HydrophobicContact CD2-CH2 3.5Å; L236-W350 VanDerWaalsContact CD2-CH2 3.5Å; L236-W350 HydrophobicContact CD2-CZ2 3.51Å; L236-W350 HydrophobicContact CD2-CZ3 4.43Å; A312-W350 HydrophobicContact CB-CB 4.15Å; A312-W350 HydrophobicContact CB-CD2 3.78Å; A312-W350 HydrophobicContact CB-CE3 4.47Å; A312-W350 HydrophobicContact CB-CG 3.59Å; L315-W350 HydrophobicContact CD2-CE3 4.26Å; W350-Y352 WeakPolarHBondContact O-CD2 3.36Å; W350-Y352 WeakPolarHBondContact O-CE2 3.38Å; W350-P382 PolarHBondContact NE1-O 2.86Å; W350-H383 VanDerWaalsContact CZ2-O 3.24Å; W350-H383 WeakPolarHBondContact CZ2-O 3.36Å
351	G	92.6	Very high	91.4	Very high	6 Å²	6	44 Å²	44	6%	0.062	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	21	179.7	0	0	0	0	0	114.5	I229 E378 V379 T381	I229-G351 PolarHBondContact O-N 3.13Å; G351-E378 CarbonylContact O-C 3.56Å; G351-E378 WeakPolarHBondContact O-CA 3.23Å; G351-V379 PolarHBondContact O-N 3.33Å; G351-V379 VanDerWaalsContact O-O 3.11Å; G351-T381 WeakPolarHBondContact CA-OG1 3.41Å
352	Y	94.4	Very high	90.9	Very high	73 Å²	73	54.1 Å²	54.1	29%	0.286	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	147.4	177.6	-70.2	-90.8	0	0	0	111.2	V228 I229 S230 L349 W350 V377 E378	V228-Y352 VanDerWaalsContact CB-O 3.3Å; V228-Y352 WeakPolarHBondContact CB-O 3.28Å; V228-Y352 WeakPolarHBondContact CG2-O 3.42Å; I229-Y352 PolarHBondContact O-N 2.92Å; S230-Y352 WeakPolarHBondContact CB-O 3.48Å; L349-Y352 HydrophobicContact CB-CD2 3.54Å; L349-Y352 HydrophobicContact CB-CE2 4.23Å; L349-Y352 HydrophobicContact CB-CG 4.02Å; W350-Y352 WeakPolarHBondContact O-CD2 3.36Å; W350-Y352 WeakPolarHBondContact O-CE2 3.38Å; Y352-V377 CarbonylContact C-O 3.49Å; Y352-V377 WeakPolarHBondContact CA-O 3.42Å; Y352-E378 HydrophobicContact CD1-CB 4.26Å; Y352-E378 HydrophobicContact CE1-CB 3.91Å; Y352-E378 HydrophobicContact CE1-CG 4.32Å
353	R	93.6	Very high	90.4	Very high	146 Å²	146	60.9 Å²	60.9	55%	0.551	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.5	168.7	-172.5	179.6	124.1	179.9	-0.4	108.7	T376 V377 V379	R353-T376 CarbonylContact O-C 3.41Å; R353-T376 WeakPolarHBondContact O-CA 3.4Å; R353-V377 PolarHBondContact N-O 3.39Å; R353-V377 PolarHBondContact O-N 2.98Å; R353-V379 HydrophobicContact CB-CG2 3.7Å
354	F	94	Very high	90	Very high	8 Å²	8	62.7 Å²	62.7	4%	0.035	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	139.9	174.7	-64.5	-72.7	0	0	0	112.6	S224 N226 V228 L239 R241 T296 T376	S224-F354 WeakPolarHBondContact OG-CZ 3.41Å; N226-F354 WeakPolarHBondContact O-CZ 3.48Å; V228-F354 HydrophobicContact CG1-CE1 4.12Å; V228-F354 HydrophobicContact CG1-CE2 4.49Å; V228-F354 HydrophobicContact CG1-CZ 4.09Å; V228-F354 HydrophobicContact CG2-CD2 3.79Å; V228-F354 HydrophobicContact CG2-CE2 3.6Å; V228-F354 HydrophobicContact CG2-CG 4.36Å; V228-F354 HydrophobicContact CG2-CZ 4.03Å; L239-F354 HydrophobicContact CB-CD2 4.36Å; L239-F354 HydrophobicContact CB-CE2 4.02Å; R241-F354 HydrophobicContact CB-CE2 4.42Å; R241-F354 HydrophobicContact CB-CZ 4.4Å; R241-F354 HydrophobicContact CG-CD1 4.38Å; R241-F354 HydrophobicContact CG-CD2 3.75Å; R241-F354 HydrophobicContact CG-CE1 4.47Å; R241-F354 HydrophobicContact CG-CE2 3.85Å; R241-F354 HydrophobicContact CG-CG 4.04Å; R241-F354 HydrophobicContact CG-CZ 4.22Å; R241-F354 VanDerWaalsContact NE-CB 3.26Å; T296-F354 HydrophobicContact CG2-CD2 4.12Å; T296-F354 HydrophobicContact CG2-CE2 4.39Å; F354-T376 HydrophobicContact CD1-CG2 3.88Å; F354-T376 HydrophobicContact CE1-CG2 4.12Å
355	A	90.6	Very high	89.5	Confident	9 Å²	9	68.1 Å²	68.1	7%	0.074	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-64.9	141	175.5	0	0	0	0	0	111	R241 I357 K375 V377	R241-A355 PolarHBondContact NH1-O 3.03Å; R241-A355 PolarHBondContact NH2-O 3.45Å; A355-I357 PolarHBondContact O-N 3.01Å; A355-K375 HydrophobicContact CB-CB 4.11Å; A355-K375 HydrophobicContact CB-CD 4.48Å; A355-K375 HydrophobicContact CB-CG 4.22Å; A355-K375 WeakPolarHBondContact CB-O 3.33Å; A355-K375 PolarHBondContact N-O 3.5Å; A355-V377 HydrophobicContact CB-CG2 4.1Å
356	P	86.8	Confident	89.1	Confident	93 Å²	93	76.2 Å²	76.2	60%	0.604	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-52.8	134.9	176.9	-24.5	33.8	0	0	0	112.3
357	I	86.9	Confident	88.7	Confident	13 Å²	13	79.2 Å²	79.2	7%	0.067	38%	0.377	C	S	.	.			trans	-109.4	-27.3	-175.9	-175.9	155	0	0	0	113.6	P294 A355 V368 D369 F373	P294-I357 HydrophobicContact CB-CD1 4.1Å; P294-I357 HydrophobicContact CB-CG2 4.22Å; P294-I357 HydrophobicContact CG-CD1 3.69Å; P294-I357 HydrophobicContact CG-CG1 4.3Å; P294-I357 HydrophobicContact CG-CG2 4.42Å; A355-I357 PolarHBondContact O-N 3.01Å; I357-V368 HydrophobicContact CD1-CG1 4.1Å; I357-V368 HydrophobicContact CG1-CG1 3.77Å; I357-D369 WeakPolarHBondContact CG1-O 3.39Å; I357-D369 PolarHBondContact O-N 2.92Å; I357-F373 HydrophobicContact CD1-CB 3.87Å; I357-F373 HydrophobicContact CD1-CD2 3.84Å; I357-F373 HydrophobicContact CD1-CG 4.36Å
358	V	85.6	Confident	88.3	Confident	68 Å²	68	79.7 Å²	79.7	41%	0.412	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	127.4	177.9	-173.3	0	0	0	0	108.5	Y366 V368	V358-Y366 HydrophobicContact CG1-CD1 4.03Å; V358-V368 HydrophobicContact CG2-CG2 4.4Å
359	S	84.8	Confident	87.8	Confident	63 Å²	63	82.3 Å²	82.3	44%	0.441	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	153.5	172.9	62.2	0	0	0	0	109.7	R367	S359-R367 PolarHBondContact N-O 3.48Å; S359-R367 PolarHBondContact O-N 3.46Å; S359-R367 PolarHBondContact OG-O 2.93Å
360	K	85.8	Confident	87.4	Confident	148 Å²	148	84.7 Å²	84.7	64%	0.643	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.5	124.5	174.7	-167.6	173.9	179.3	178.7	0	108.6
361	T	85.3	Confident	87	Confident	54 Å²	54	90.6 Å²	90.6	33%	0.331	43%	0.433	S	S	.	.			trans	-72.1	156.6	175.4	-37.1	0	0	0	0	109.6	E363 G364 K365	T361-E363 PolarHBondContact O-N 3.38Å; T361-E363 VanDerWaalsContact O-N 3.13Å; T361-G364 PolarHBondContact O-N 3.09Å; T361-K365 WeakPolarHBondContact CB-O 3.15Å; T361-K365 PolarHBondContact N-O 2.77Å; T361-K365 PolarHBondContact OG1-O 2.89Å
362	K	84.2	Confident	86.7	Confident	218 Å²	218	92.1 Å²	92.1	95%	0.948	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.3	175.5	-65.2	-174.5	179.1	-177.8	0	113.1	G364	K362-G364 PolarHBondContact O-N 2.95Å
363	E	85.3	Confident	86.5	Confident	142 Å²	142	89.3 Å²	89.3	66%	0.664	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	5.6	174.6	-62.3	175.6	-163.3	0	0	114.8	T361 K365	T361-E363 PolarHBondContact O-N 3.38Å; T361-E363 VanDerWaalsContact O-N 3.13Å; E363-K365 VanDerWaalsContact C-N 3.3Å; E363-K365 PolarHBondContact O-N 3.4Å; E363-K365 IonicContact OE2-NZ 3.8Å; E363-K365 PolarHBondContact OE2-NZ 2.94Å
364	G	85.3	Confident	86.3	Confident	37 Å²	37	84 Å²	84	38%	0.381	42%	0.415	S	S	.	.	S	Bend	trans	82.4	-5.5	179.4	0	0	0	0	0	115.9	T361 K362	T361-G364 PolarHBondContact O-N 3.09Å; K362-G364 PolarHBondContact O-N 2.95Å
365	K	84.2	Confident	86.2	Confident	132 Å²	132	89.1 Å²	89.1	57%	0.574	44%	0.437	S	S	*	.			trans	-79	138.9	176.8	-63.7	171.3	-172	147.2	0	112.3	T361 E363	T361-K365 WeakPolarHBondContact CB-O 3.15Å; T361-K365 PolarHBondContact N-O 2.77Å; T361-K365 PolarHBondContact OG1-O 2.89Å; E363-K365 VanDerWaalsContact C-N 3.3Å; E363-K365 PolarHBondContact O-N 3.4Å; E363-K365 IonicContact OE2-NZ 3.8Å; E363-K365 PolarHBondContact OE2-NZ 2.94Å
366	Y	83.5	Confident	86.3	Confident	175 Å²	175	90.5 Å²	90.5	69%	0.686	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	127.3	170.9	-64.7	-79.6	0	0	0	110.7	V358	V358-Y366 HydrophobicContact CG1-CD1 4.03Å
367	R	83.1	Confident	86.6	Confident	162 Å²	162	89.7 Å²	89.7	61%	0.611	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.9	175.6	-176.6	176.6	174.7	171.8	-2.6	109.6	S359	S359-R367 PolarHBondContact N-O 3.48Å; S359-R367 PolarHBondContact O-N 3.46Å; S359-R367 PolarHBondContact OG-O 2.93Å
368	V	85	Confident	86.9	Confident	46 Å²	46	96 Å²	96	28%	0.279	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	118.2	175.7	-176.6	0	0	0	0	108.1	P294 I357 V358 F370	P294-V368 HydrophobicContact CG-CG1 3.67Å; I357-V368 HydrophobicContact CD1-CG1 4.1Å; I357-V368 HydrophobicContact CG1-CG1 3.77Å; V358-V368 HydrophobicContact CG2-CG2 4.4Å; V368-F370 HydrophobicContact CB-CE2 4.5Å; V368-F370 HydrophobicContact CG1-CD2 4.39Å; V368-F370 HydrophobicContact CG1-CE2 4.01Å; V368-F370 HydrophobicContact CG1-CZ 4.11Å
369	D	84.8	Confident	87.3	Confident	62 Å²	62	95.7 Å²	95.7	33%	0.332	47%	0.465	S	S	.	.			trans	-100.2	101.3	177.7	-173.3	0.2	0	0	0	111.5	I357 H371 N372	I357-D369 WeakPolarHBondContact CG1-O 3.39Å; I357-D369 PolarHBondContact O-N 2.92Å; D369-H371 PolarHBondContact O-N 2.89Å; D369-H371 VanDerWaalsContact OD1-CB 3.22Å; D369-H371 WeakPolarHBondContact OD1-CB 3.2Å; D369-H371 PolarHBondContact OD1-N 3.03Å; D369-N372 PolarHBondContact O-N 3.47Å; D369-N372 VanDerWaalsContact O-N 3.14Å
370	F	85.7	Confident	87.4	Confident	92 Å²	92	101.8 Å²	101.8	40%	0.404	49%	0.486	S	S	.	.	G	3₁₀ helix	trans	-66.1	-14.2	179.6	-74.4	-81.2	0	0	0	114	A243 L245 P294 V368 N372 F373	A243-F370 HydrophobicContact CB-CE1 3.89Å; L245-F370 HydrophobicContact CD2-CD1 3.89Å; L245-F370 HydrophobicContact CD2-CE1 3.45Å; L245-F370 VanDerWaalsContact CD2-CE1 3.45Å; L245-F370 HydrophobicContact CD2-CE2 4.46Å; L245-F370 HydrophobicContact CD2-CZ 3.78Å; P294-F370 HydrophobicContact CG-CE1 4.05Å; P294-F370 HydrophobicContact CG-CZ 4.39Å; V368-F370 HydrophobicContact CB-CE2 4.5Å; V368-F370 HydrophobicContact CG1-CD2 4.39Å; V368-F370 HydrophobicContact CG1-CE2 4.01Å; V368-F370 HydrophobicContact CG1-CZ 4.11Å; F370-N372 PolarHBondContact O-N 2.86Å; F370-F373 HydrophobicContact CD1-CB 4.47Å; F370-F373 WeakPolarHBondContact O-CB 3.42Å; F370-F373 PolarHBondContact O-N 3.38Å; F370-F373 VanDerWaalsContact O-N 3.1Å
371	H	86.1	Confident	87.5	Confident	155 Å²	155	96.4 Å²	96.4	72%	0.718	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-60.9	-36.3	171.9	-171.9	73.4	0	0	0	111.4	D369 F373	D369-H371 PolarHBondContact O-N 2.89Å; D369-H371 VanDerWaalsContact OD1-CB 3.22Å; D369-H371 WeakPolarHBondContact OD1-CB 3.2Å; D369-H371 PolarHBondContact OD1-N 3.03Å; H371-F373 VanDerWaalsContact C-N 3.28Å; H371-F373 PolarHBondContact O-N 3.19Å
372	N	86.8	Confident	87.5	Confident	39 Å²	39	95.2 Å²	95.2	21%	0.209	46%	0.459	C	S	.	.	G	3₁₀ helix	trans	-84.8	5	177.8	-69	-27	0	0	0	113.6	R241 D369 F370 S374 K375	R241-N372 PolarHBondContact NH1-O 3.41Å; D369-N372 PolarHBondContact O-N 3.47Å; D369-N372 VanDerWaalsContact O-N 3.14Å; F370-N372 PolarHBondContact O-N 2.86Å; N372-S374 PolarHBondContact O-N 3.18Å; N372-K375 PolarHBondContact O-N 3.42Å
373	F	89.1	Confident	87.5	Confident	14 Å²	14	88.8 Å²	88.8	6%	0.061	43%	0.433	C	S	.	.	S	Bend	trans	-59.6	-47.9	-173.9	179.3	-109.7	0	0	0	112.9	T222 F223 R241 A243 P294 I357 F370 H371	T222-F373 WeakPolarHBondContact O-CZ 3.38Å; F223-F373 WeakPolarHBondContact O-CE1 3.36Å; R241-F373 HydrophobicContact CB-CE2 3.82Å; R241-F373 HydrophobicContact CB-CZ 4.02Å; R241-F373 WeakPolarHBondContact CD-O 3.37Å; R241-F373 PolarHBondContact NH1-O 2.98Å; A243-F373 HydrophobicContact CB-CD2 4.18Å; A243-F373 HydrophobicContact CB-CE2 3.51Å; A243-F373 HydrophobicContact CB-CZ 3.95Å; P294-F373 HydrophobicContact CB-CD2 4.24Å; P294-F373 HydrophobicContact CB-CE2 4.15Å; I357-F373 HydrophobicContact CD1-CB 3.87Å; I357-F373 HydrophobicContact CD1-CD2 3.84Å; I357-F373 HydrophobicContact CD1-CG 4.36Å; F370-F373 HydrophobicContact CD1-CB 4.47Å; F370-F373 WeakPolarHBondContact O-CB 3.42Å; F370-F373 PolarHBondContact O-N 3.38Å; F370-F373 VanDerWaalsContact O-N 3.1Å; H371-F373 VanDerWaalsContact C-N 3.28Å; H371-F373 PolarHBondContact O-N 3.19Å
374	S	89.1	Confident	87.5	Confident	34 Å²	34	83 Å²	83	24%	0.238	41%	0.407	C	S	.	.	S	Bend	trans	-99.6	4.9	177.3	-61.1	0	0	0	0	113.5	K225 N372	K225-S374 PolarHBondContact N-OG 3.11Å; N372-S374 PolarHBondContact O-N 3.18Å
375	K	92	Very high	87.3	Confident	116 Å²	116	81.2 Å²	81.2	50%	0.504	39%	0.389	S	S	.	.			trans	-75.1	130.4	-179.4	-169.4	174.7	-177.5	177	0	109.8	A355 N372	A355-K375 HydrophobicContact CB-CB 4.11Å; A355-K375 HydrophobicContact CB-CD 4.48Å; A355-K375 HydrophobicContact CB-CG 4.22Å; A355-K375 WeakPolarHBondContact CB-O 3.33Å; A355-K375 PolarHBondContact N-O 3.5Å; N372-K375 PolarHBondContact O-N 3.42Å
376	T	93.5	Very high	87.1	Confident	38 Å²	38	78.7 Å²	78.7	23%	0.233	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	155.2	179.4	55.1	0	0	0	0	110.4	V228 L349 R353 F354	V228-T376 HydrophobicContact CG1-CG2 3.54Å; L349-T376 HydrophobicContact CD1-CG2 4.39Å; R353-T376 CarbonylContact O-C 3.41Å; R353-T376 WeakPolarHBondContact O-CA 3.4Å; F354-T376 HydrophobicContact CD1-CG2 3.88Å; F354-T376 HydrophobicContact CE1-CG2 4.12Å
377	V	93.4	Very high	86.8	Confident	75 Å²	75	73.1 Å²	73.1	46%	0.455	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.8	178	-176.2	0	0	0	0	107.1	Y352 R353 A355	Y352-V377 CarbonylContact C-O 3.49Å; Y352-V377 WeakPolarHBondContact CA-O 3.42Å; R353-V377 PolarHBondContact N-O 3.39Å; R353-V377 PolarHBondContact O-N 2.98Å; A355-V377 HydrophobicContact CB-CG2 4.1Å
378	E	93.2	Very high	86.7	Confident	145 Å²	145	65.6 Å²	65.6	68%	0.678	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	140.1	177.7	-165.2	171.2	177	0	0	110.5	G351 Y352	G351-E378 CarbonylContact O-C 3.56Å; G351-E378 WeakPolarHBondContact O-CA 3.23Å; Y352-E378 HydrophobicContact CD1-CB 4.26Å; Y352-E378 HydrophobicContact CE1-CB 3.91Å; Y352-E378 HydrophobicContact CE1-CG 4.32Å
379	V	92.4	Very high	86.3	Confident	62 Å²	62	64.7 Å²	64.7	38%	0.376	33%	0.33	S	S	.	.			trans	-140.5	141.7	-177.8	-177.1	0	0	0	0	108.2	G351 R353 T381	G351-V379 PolarHBondContact O-N 3.33Å; G351-V379 VanDerWaalsContact O-O 3.11Å; R353-V379 HydrophobicContact CB-CG2 3.7Å; V379-T381 WeakPolarHBondContact O-CG2 3.19Å; V379-T381 PolarHBondContact O-N 3.39Å; V379-T381 VanDerWaalsContact O-N 3.1Å
380	E	87.4	Confident	85.9	Confident	191 Å²	191	65.6 Å²	65.6	89%	0.893	34%	0.335	S	S	*	.			trans	-57.9	117.7	172.1	-68.9	-177.7	177.6	0	0	110.5
381	T	88.1	Confident	85.1	Confident	35 Å²	35	66.4 Å²	66.4	22%	0.215	34%	0.34	C	S	.	.			trans	-136.5	147.2	-179.6	56.2	0	0	0	0	110.3	G351 V379	G351-T381 WeakPolarHBondContact CA-OG1 3.41Å; V379-T381 WeakPolarHBondContact O-CG2 3.19Å; V379-T381 PolarHBondContact O-N 3.39Å; V379-T381 VanDerWaalsContact O-N 3.1Å
382	P	85.9	Confident	84.3	Confident	29 Å²	29	62.6 Å²	62.6	19%	0.188	32%	0.321	C	S	.	.			trans	-59.1	145.6	173.2	-18.5	29.7	0	0	0	110.9	K231 W350 C384 L388	K231-P382 HydrophobicContact CD-CG 4.43Å; W350-P382 PolarHBondContact NE1-O 2.86Å; P382-C384 VanDerWaalsContact C-N 3.29Å; P382-C384 PolarHBondContact O-N 3Å; P382-L388 HydrophobicContact CB-CB 4.22Å; P382-L388 HydrophobicContact CG-CB 4.16Å; P382-L388 HydrophobicContact CG-CD1 3.74Å; P382-L388 HydrophobicContact CG-CD2 4.26Å; P382-L388 HydrophobicContact CG-CG 4.26Å
383	H	84.6	Confident	83.1	Confident	84 Å²	84	64.2 Å²	64.2	39%	0.389	33%	0.33	S	S	.	.	S	Bend	trans	-67.7	-29.6	179.8	-166.8	-70.9	0	0	0	113	A311 A312 E313 W350	A311-H383 WeakPolarHBondContact CA-O 3.2Å; A312-H383 PolarHBondContact N-O 3.19Å; E313-H383 VanDerWaalsContact CG-NE2 3.34Å; E313-H383 WeakPolarHBondContact CG-NE2 3.34Å; E313-H383 IonicContact OE1-CD2 3.57Å; E313-H383 IonicContact OE1-CE1 3.91Å; E313-H383 IonicContact OE1-NE2 3.73Å; E313-H383 PolarHBondContact OE1-NE2 2.99Å; E313-H383 IonicContact OE2-CE1 3.68Å; E313-H383 IonicContact OE2-NE2 2.78Å; W350-H383 VanDerWaalsContact CZ2-O 3.24Å; W350-H383 WeakPolarHBondContact CZ2-O 3.36Å
384	C	84.6	Confident	81.8	Confident	20 Å²	20	66.3 Å²	66.3	14%	0.135	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-144.1	150.7	-178.8	97.7	0	0	0	0	112.9	A311 P382 C387 L388	A311-C384 HydrophobicContact CB-CB 3.94Å; P382-C384 VanDerWaalsContact C-N 3.29Å; P382-C384 PolarHBondContact O-N 3Å; C384-C387 HydrophobicContact CB-CB 4.22Å; C384-C387 WeakPolarHBondContact CB-SG 3.46Å; C384-C387 WeakPolarHBondContact O-CB 3.23Å; C384-C387 WeakPolarHBondContact SG-CB 3.36Å; C384-C387 PolarHBondContact SG-N 3.3Å; C384-C387 CovalentContact SG-SG 2.05Å; C384-C387 PolarHBondContact SG-SG 2.74Å; C384-L388 PolarHBondContact O-N 3.49Å
385	A	81.2	Confident	80.6	Confident	0 Å²	0	73 Å²	73	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-67.6	-43.6	178.8	0	0	0	0	0	111.5	L236 I301 F308 C387 L388 Y389	L236-A385 HydrophobicContact CD2-CB 3.85Å; I301-A385 HydrophobicContact CG2-CB 3.86Å; F308-A385 HydrophobicContact CD2-CB 4.04Å; F308-A385 HydrophobicContact CE2-CB 4.32Å; A385-C387 VanDerWaalsContact C-N 3.28Å; A385-C387 PolarHBondContact O-N 3.49Å; A385-L388 WeakPolarHBondContact O-CB 3.33Å; A385-L388 PolarHBondContact O-N 3.45Å; A385-L388 VanDerWaalsContact O-N 3.16Å; A385-Y389 WeakPolarHBondContact O-CD2 3.34Å; A385-Y389 PolarHBondContact O-N 2.89Å; A385-Y389 VanDerWaalsContact O-N 3.09Å
386	M	79.4	Confident	79.2	Confident	78 Å²	78	69.5 Å²	69.5	38%	0.384	36%	0.362	S	S	.	.	H	α-helix	trans	-56.9	-40.6	176.2	-171	66.7	178.9	0	0	112.4	F308 L388 Y389 N390	F308-M386 HydrophobicContact CE1-CB 4.42Å; F308-M386 HydrophobicContact CE1-SD 3.4Å; F308-M386 WeakPolarHBondContact CE1-SD 3.45Å; F308-M386 HydrophobicContact CZ-CB 4.33Å; F308-M386 HydrophobicContact CZ-SD 3.46Å; F308-M386 WeakPolarHBondContact CZ-SD 3.31Å; M386-L388 VanDerWaalsContact C-N 3.34Å; M386-L388 PolarHBondContact O-N 3.35Å; M386-Y389 PolarHBondContact O-N 3.16Å; M386-N390 WeakPolarHBondContact O-CB 3.47Å; M386-N390 VanDerWaalsContact O-CG 3.28Å; M386-N390 PolarHBondContact O-N 3.41Å
387	C	77.4	Confident	77.5	Confident	59 Å²	59	76.8 Å²	76.8	40%	0.399	39%	0.386	S	S	.	.	H	α-helix	trans	-60.5	-46.1	178.6	-55	0	0	0	0	110.4	C384 A385 Y389 N390 E391	C384-C387 HydrophobicContact CB-CB 4.22Å; C384-C387 WeakPolarHBondContact CB-SG 3.46Å; C384-C387 WeakPolarHBondContact O-CB 3.23Å; C384-C387 WeakPolarHBondContact SG-CB 3.36Å; C384-C387 PolarHBondContact SG-N 3.3Å; C384-C387 CovalentContact SG-SG 2.05Å; C384-C387 PolarHBondContact SG-SG 2.74Å; A385-C387 VanDerWaalsContact C-N 3.28Å; A385-C387 PolarHBondContact O-N 3.49Å; C387-Y389 PolarHBondContact O-N 2.88Å; C387-N390 PolarHBondContact O-N 3.02Å; C387-E391 WeakPolarHBondContact O-CG 3.35Å; C387-E391 PolarHBondContact O-N 3.45Å
388	L	81	Confident	75.7	Confident	4 Å²	4	81.1 Å²	81.1	2%	0.021	40%	0.403	C	S	.	.	H	α-helix	trans	-64.4	-39	178.8	-179.8	66.8	0	0	0	112.3	K231 L236 P382 C384 A385 M386 K392	K231-L388 HydrophobicContact CD-CD1 4.43Å; L236-L388 HydrophobicContact CB-CD2 4.15Å; P382-L388 HydrophobicContact CB-CB 4.22Å; P382-L388 HydrophobicContact CG-CB 4.16Å; P382-L388 HydrophobicContact CG-CD1 3.74Å; P382-L388 HydrophobicContact CG-CD2 4.26Å; P382-L388 HydrophobicContact CG-CG 4.26Å; C384-L388 PolarHBondContact O-N 3.49Å; A385-L388 WeakPolarHBondContact O-CB 3.33Å; A385-L388 PolarHBondContact O-N 3.45Å; A385-L388 VanDerWaalsContact O-N 3.16Å; M386-L388 VanDerWaalsContact C-N 3.34Å; M386-L388 PolarHBondContact O-N 3.35Å; L388-K392 WeakPolarHBondContact O-CG 3.48Å; L388-K392 PolarHBondContact O-N 3.22Å
389	Y	77.3	Confident	74	Confident	27 Å²	27	83.4 Å²	83.4	11%	0.106	41%	0.411	C	S	.	.	H	α-helix	trans	-71.9	-45.5	177.5	-88.7	-90.3	0	0	0	111.6	H303 F308 A385 M386 C387 E391 K392 D393	H303-Y389 AromaticContact NE2-CD1 3.42Å; H303-Y389 WeakPolarHBondContact NE2-CD1 3.46Å; H303-Y389 AromaticContact NE2-CE1 3.71Å; H303-Y389 AromaticContact NE2-CG 3.98Å; F308-Y389 AromaticContact CE2-CD2 3.79Å; F308-Y389 HydrophobicContact CE2-CD2 3.79Å; F308-Y389 HydrophobicContact CE2-CE2 4.17Å; F308-Y389 HydrophobicContact CE2-CG 4.31Å; A385-Y389 WeakPolarHBondContact O-CD2 3.34Å; A385-Y389 PolarHBondContact O-N 2.89Å; A385-Y389 VanDerWaalsContact O-N 3.09Å; M386-Y389 PolarHBondContact O-N 3.16Å; C387-Y389 PolarHBondContact O-N 2.88Å; Y389-E391 VanDerWaalsContact C-N 3.33Å; Y389-E391 PolarHBondContact O-N 3.3Å; Y389-K392 WeakPolarHBondContact O-CB 3.41Å; Y389-K392 PolarHBondContact O-N 2.95Å; Y389-K392 VanDerWaalsContact O-N 3.09Å; Y389-D393 PolarHBondContact O-N 3.5Å
390	N	75.3	Confident	72.1	Confident	80 Å²	80	90.2 Å²	90.2	43%	0.428	43%	0.429	S	S	.	.	H	α-helix	trans	-60.2	-40.4	176.8	-74.3	-9.1	0	0	0	112.4	M386 C387 K392 D393 A394	M386-N390 WeakPolarHBondContact O-CB 3.47Å; M386-N390 VanDerWaalsContact O-CG 3.28Å; M386-N390 PolarHBondContact O-N 3.41Å; C387-N390 PolarHBondContact O-N 3.02Å; N390-K392 VanDerWaalsContact C-N 3.34Å; N390-K392 PolarHBondContact O-N 2.96Å; N390-D393 PolarHBondContact O-N 3.3Å; N390-A394 VanDerWaalsContact O-CB 3.23Å; N390-A394 WeakPolarHBondContact O-CB 3.44Å; N390-A394 PolarHBondContact O-N 3.22Å
391	E	70.2	Confident	70.2	Confident	110 Å²	110	83.8 Å²	83.8	51%	0.514	41%	0.414	S	S	.	.	H	α-helix	trans	-63.7	-39.2	174.2	-81.2	-174.1	171.4	0	0	112.6	C387 Y389 R395	C387-E391 WeakPolarHBondContact O-CG 3.35Å; C387-E391 PolarHBondContact O-N 3.45Å; Y389-E391 VanDerWaalsContact C-N 3.33Å; Y389-E391 PolarHBondContact O-N 3.3Å; E391-R395 WeakPolarHBondContact O-CB 3.31Å; E391-R395 VanDerWaalsContact O-CG 3.29Å; E391-R395 WeakPolarHBondContact O-CG 3.46Å; E391-R395 PolarHBondContact O-N 3.04Å
392	K	67.6	Low	68.6	Low	75 Å²	75	93.2 Å²	93.2	33%	0.326	45%	0.448	S	S	.	.	H	α-helix	trans	-67	-43.8	175.7	-79	-177.9	179.4	-175.9	0	111.6	G234 L388 Y389 N390 A394 R395 A396	G234-K392 WeakPolarHBondContact O-CE 3.07Å; G234-K392 PolarHBondContact O-NZ 3.05Å; L388-K392 WeakPolarHBondContact O-CG 3.48Å; L388-K392 PolarHBondContact O-N 3.22Å; Y389-K392 WeakPolarHBondContact O-CB 3.41Å; Y389-K392 PolarHBondContact O-N 2.95Å; Y389-K392 VanDerWaalsContact O-N 3.09Å; N390-K392 VanDerWaalsContact C-N 3.34Å; N390-K392 PolarHBondContact O-N 2.96Å; K392-A394 VanDerWaalsContact C-N 3.33Å; K392-R395 PolarHBondContact O-N 3.33Å; K392-A396 VanDerWaalsContact O-CB 3.26Å; K392-A396 WeakPolarHBondContact O-CB 3.47Å; K392-A396 PolarHBondContact O-N 3.03Å
393	D	63	Low	66.8	Low	72 Å²	72	99.1 Å²	99.1	39%	0.385	48%	0.478	S	S	.	.	H	α-helix	trans	-64.5	-41	177.4	-72.6	-13.8	0	0	0	110.7	Y389 N390 A396 R397	Y389-D393 PolarHBondContact O-N 3.5Å; N390-D393 PolarHBondContact O-N 3.3Å; D393-A396 PolarHBondContact O-N 3.21Å; D393-R397 WeakPolarHBondContact O-CB 3.01Å; D393-R397 VanDerWaalsContact O-CG 3.22Å; D393-R397 WeakPolarHBondContact O-CG 3.26Å; D393-R397 PolarHBondContact O-N 3.32Å
394	A	60.3	Low	65.3	Low	58 Å²	58	100.4 Å²	100.4	48%	0.479	49%	0.488	S	S	.	.	H	α-helix	trans	-61.2	-46.9	173.1	0	0	0	0	0	111.6	N390 K392 A396 R397 M398	N390-A394 VanDerWaalsContact O-CB 3.23Å; N390-A394 WeakPolarHBondContact O-CB 3.44Å; N390-A394 PolarHBondContact O-N 3.22Å; K392-A394 VanDerWaalsContact C-N 3.33Å; A394-A396 VanDerWaalsContact C-N 3.34Å; A394-A396 PolarHBondContact O-N 2.81Å; A394-R397 PolarHBondContact O-N 2.73Å; A394-M398 VanDerWaalsContact O-CB 3.3Å; A394-M398 WeakPolarHBondContact O-CB 3.46Å; A394-M398 PolarHBondContact O-N 3.38Å
395	R	64.3	Low	63.8	Low	176 Å²	176	105 Å²	105	66%	0.664	52%	0.517	S	S	*	.	H	α-helix	trans	-65.2	-35.2	175.7	-74	178.2	-173.8	-165.6	3.5	112.7	E391 K392 K399	E391-R395 WeakPolarHBondContact O-CB 3.31Å; E391-R395 VanDerWaalsContact O-CG 3.29Å; E391-R395 WeakPolarHBondContact O-CG 3.46Å; E391-R395 PolarHBondContact O-N 3.04Å; K392-R395 PolarHBondContact O-N 3.33Å; R395-K399 PolarHBondContact O-N 3.46Å; R395-K399 VanDerWaalsContact O-N 3.12Å
396	A	63.5	Low	62.1	Low	41 Å²	41	111.8 Å²	111.8	34%	0.339	55%	0.553	S	S	.	*	H	α-helix	trans	-71.7	-39.4	177	0	0	0	0	0	111.8	K392 D393 A394 K399 R400	K392-A396 VanDerWaalsContact O-CB 3.26Å; K392-A396 WeakPolarHBondContact O-CB 3.47Å; K392-A396 PolarHBondContact O-N 3.03Å; D393-A396 PolarHBondContact O-N 3.21Å; A394-A396 VanDerWaalsContact C-N 3.34Å; A394-A396 PolarHBondContact O-N 2.81Å; A396-K399 PolarHBondContact O-N 3.47Å; A396-R400 PolarHBondContact O-N 3.36Å
397	R	57	Low	60.6	Low	192 Å²	192	115.7 Å²	115.7	73%	0.725	57%	0.569	S	S	*	*	H	α-helix	trans	-66.2	-40.7	172.9	-73.6	175.7	-172.5	-162.1	3.2	111.5	D393 A394 K399 R400	D393-R397 WeakPolarHBondContact O-CB 3.01Å; D393-R397 VanDerWaalsContact O-CG 3.22Å; D393-R397 WeakPolarHBondContact O-CG 3.26Å; D393-R397 PolarHBondContact O-N 3.32Å; A394-R397 PolarHBondContact O-N 2.73Å; R397-K399 VanDerWaalsContact C-N 3.29Å; R397-K399 PolarHBondContact O-N 2.71Å; R397-R400 CarbonylContact O-C 3.17Å; R397-R400 WeakPolarHBondContact O-CA 3.36Å; R397-R400 PolarHBondContact O-N 2.85Å; R397-R400 VanDerWaalsContact O-O 3.06Å
398	M	56.4	Low	59.2	Low	166 Å²	166	120 Å²	120	82%	0.818	59%	0.586	S	S	*	*	H	α-helix	trans	-66.1	-30.3	176.6	-164.7	174.8	173.4	0	0	112.7	A394 R400	A394-M398 VanDerWaalsContact O-CB 3.3Å; A394-M398 WeakPolarHBondContact O-CB 3.46Å; A394-M398 PolarHBondContact O-N 3.38Å; M398-R400 VanDerWaalsContact C-N 3.33Å
399	K	57.4	Low	57.4	Low	193 Å²	193	126.2 Å²	126.2	84%	0.839	62%	0.619	S	S	*	*	H	α-helix	trans	-73.3	-21.9	169.7	-79.4	-173.9	175.7	-169.7	0	113.7	R395 A396 R397 G401	R395-K399 PolarHBondContact O-N 3.46Å; R395-K399 VanDerWaalsContact O-N 3.12Å; A396-K399 PolarHBondContact O-N 3.47Å; R397-K399 VanDerWaalsContact C-N 3.29Å; R397-K399 PolarHBondContact O-N 2.71Å; K399-G401 VanDerWaalsContact C-N 3.3Å; K399-G401 PolarHBondContact O-N 2.02Å
400	R	53.3	Low	55.6	Low	204 Å²	204	129.8 Å²	129.8	77%	0.77	65%	0.648	S	S	*	*	S	Bend	trans	-95.7	59.6	168.7	-62.1	-176.6	-153.7	175.3	4.8	108.6	A396 R397 M398 Y402	A396-R400 PolarHBondContact O-N 3.36Å; R397-R400 CarbonylContact O-C 3.17Å; R397-R400 WeakPolarHBondContact O-CA 3.36Å; R397-R400 PolarHBondContact O-N 2.85Å; R397-R400 VanDerWaalsContact O-O 3.06Å; M398-R400 VanDerWaalsContact C-N 3.33Å; R400-Y402 PolarHBondContact O-N 3.29Å
401	G	46.3	Very low	54.1	Low	56 Å²	56	134.2 Å²	134.2	58%	0.577	67%	0.666	S	S	*	*			trans	-56.6	133.7	168.2	0	0	0	0	0	109.1	K399 D403	K399-G401 VanDerWaalsContact C-N 3.3Å; K399-G401 PolarHBondContact O-N 2.02Å; G401-D403 PolarHBondContact O-N 3.45Å
402	Y	54.9	Low	52.7	Low	233 Å²	233	135.3 Å²	135.3	91%	0.914	68%	0.679	S	S	*	*			trans	-66.1	109.6	167.4	-97.2	-100.8	0	0	0	107.6	R400 N404	R400-Y402 PolarHBondContact O-N 3.29Å; Y402-N404 PolarHBondContact O-N 2.94Å
403	D	48.6	Very low	51.2	Low	153 Å²	153	138.6 Å²	138.6	82%	0.818	70%	0.701	S	S	*	*			trans	-61.8	117.5	158.5	-72.5	-30.6	0	0	0	106.7	G401 P405	G401-D403 PolarHBondContact O-N 3.45Å; D403-P405 WeakPolarHBondContact O-CD 3.19Å
404	N	52	Low	50.2	Low	112 Å²	112	144.3 Å²	144.3	60%	0.599	73%	0.725	S	S	*	*			trans	-74.7	111	173.4	-174.3	1.9	0	0	0	107.4	Y402 N406 F407	Y402-N404 PolarHBondContact O-N 2.94Å; N404-N406 PolarHBondContact O-N 2.85Å; N404-F407 PolarHBondContact O-N 3.45Å
405	P	54.3	Low	49.2	Very low	116 Å²	116	147.9 Å²	147.9	75%	0.753	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-4.1	-174.6	26.9	-33.8	0	0	0	113.9	D403	D403-P405 WeakPolarHBondContact O-CD 3.19Å
406	N	44.7	Very low	48.2	Very low	143 Å²	143	146.8 Å²	146.8	77%	0.765	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	5.9	-178.1	-74.1	-18.6	0	0	0	115	N404 I408	N404-N406 PolarHBondContact O-N 2.85Å; N406-I408 PolarHBondContact O-N 3.4Å
407	F	47.9	Very low	47	Very low	160 Å²	160	152.2 Å²	152.2	70%	0.702	77%	0.772	S	S	*	*			trans	-95.6	89.7	174.7	-163.2	-98.7	0	0	0	110.6	N404 L409	N404-F407 PolarHBondContact O-N 3.45Å; F407-L409 HydrophobicContact CE1-CD1 3.99Å; F407-L409 HydrophobicContact CE1-CG 4.14Å
408	I	47.2	Very low	46.1	Very low	148 Å²	148	149.8 Å²	149.8	76%	0.759	78%	0.778	S	S	*	*			trans	-90.6	116.9	169.4	-59.3	174.3	0	0	0	107.5	N406 S410	N406-I408 PolarHBondContact O-N 3.4Å; I408-S410 PolarHBondContact O-N 3.06Å
409	L	44.8	Very low	45.2	Very low	136 Å²	136	151.8 Å²	151.8	71%	0.712	78%	0.782	S	S	*	*			trans	-69.7	108	166.5	-111.1	133.7	0	0	0	107.9	F407 E411	F407-L409 HydrophobicContact CE1-CD1 3.99Å; F407-L409 HydrophobicContact CE1-CG 4.14Å; L409-E411 PolarHBondContact O-N 2.62Å
410	S	39.5	Very low	44	Very low	102 Å²	102	155 Å²	155	71%	0.713	80%	0.804	S	S	*	*			trans	-77	101.4	168.5	54.5	0	0	0	0	108.7	I408 V412	I408-S410 PolarHBondContact O-N 3.06Å; S410-V412 PolarHBondContact O-N 3.46Å
411	E	42.1	Very low	43.5	Very low	173 Å²	173	152.6 Å²	152.6	81%	0.808	81%	0.805	S	S	*	*			trans	-68.6	118.1	164.6	-74.8	-179.9	168	0	0	108.6	L409 N413	L409-E411 PolarHBondContact O-N 2.62Å; E411-N413 PolarHBondContact O-N 3.25Å
412	V	41.4	Very low	43.4	Very low	132 Å²	132	157.7 Å²	157.7	80%	0.8	82%	0.817	S	S	*	*			trans	-81.8	112.3	171.6	177.5	0	0	0	0	107	S410 E414	S410-V412 PolarHBondContact O-N 3.46Å; V412-E414 PolarHBondContact O-N 2.89Å
413	N	36.5	Very low	42.8	Very low	145 Å²	145	153.5 Å²	153.5	78%	0.775	81%	0.812	S	S	*	*			trans	-71.3	115.9	169.8	-91.7	-11.3	0	0	0	109.4	E411 T415	E411-N413 PolarHBondContact O-N 3.25Å; N413-T415 PolarHBondContact O-N 2.98Å
414	E	41	Very low	42.4	Very low	192 Å²	192	153.5 Å²	153.5	90%	0.897	81%	0.812	S	S	*	*			trans	-67.9	114.1	161.3	-77.4	180	156	0	0	108.5	V412 D416	V412-E414 PolarHBondContact O-N 2.89Å; E414-D416 PolarHBondContact O-N 2.91Å
415	T	40.2	Very low	41.8	Very low	132 Å²	132	156.1 Å²	156.1	81%	0.81	83%	0.825	S	S	*	*			trans	-74.4	115.6	171.1	44.3	0	0	0	0	109.6	N413	N413-T415 PolarHBondContact O-N 2.98Å
416	D	43.2	Very low	41	Very low	154 Å²	154	158.8 Å²	158.8	82%	0.824	83%	0.83	S	S	*	*			trans	-86.5	103.1	166.5	-157.3	11.6	0	0	0	107.9	E414	E414-D416 PolarHBondContact O-N 2.91Å
417	D	39.4	Very low	40.7	Very low	155 Å²	155	159.9 Å²	159.9	83%	0.829	84%	0.835	S	S	*	*			trans	-147.5	92.8	165.9	-101.6	-26.7	0	0	0	109.3
418	T	36.3	Very low	40.2	Very low	140 Å²	140	159.9 Å²	159.9	86%	0.859	85%	0.845	S	S	*	*			trans	-141.4	102	151.3	-1.9	0	0	0	0	109.1
419	K	38.1	Very low	39.6	Very low	208 Å²	208	160.9 Å²	160.9	90%	0.904	85%	0.852	S	S	*	*			trans	-109.3	131.9	156.1	-86.3	-173.9	177.2	177.1	0	109.1
420	M	32.5	Very low	39.1	Very low	262 Å²	262	163.2 Å²	163.2	100%	1.291	87%	0.865	S	S	*	*			trans	-84.5	0	157.1	-130.7	179.3	-173.1	0	0	109.1

Retrieved 420 of 420 residues in 2499.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).