A0A087X806_POEFO Loading...

Coenzyme Q8B

AlphaFold DB , UniProt , Accession A0A087X806, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 627 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.3	Very low	33.8	Very low	187 Å²	187	117.8 Å²	117.8	92%	0.921	62%	0.617	S	S	*	*				0	-60.4	0	-82.1	-154.2	-87.9	0	0	113.8	E4 V5	M1-E4 PolarHBondContact O-N 3.01Å; M1-V5 WeakPolarHBondContact O-CG2 3.12Å; M1-V5 PolarHBondContact O-N 2.78Å; M1-V5 VanDerWaalsContact O-N 3.17Å
2	L	29.3	Very low	33.9	Very low	144 Å²	144	113.2 Å²	113.2	75%	0.754	61%	0.608	S	S	*	*	H	α-helix	trans	-67.4	-35.1	178.3	-95.7	151.4	0	0	0	114.3	L6	L2-L6 WeakPolarHBondContact O-CB 3.18Å; L2-L6 PolarHBondContact O-N 2.79Å; L2-L6 VanDerWaalsContact O-N 3.08Å
3	S	27	Very low	33.9	Very low	83 Å²	83	108.1 Å²	108.1	58%	0.58	60%	0.599	S	S	*	*	H	α-helix	trans	-71.4	-31.1	177	67.8	0	0	0	0	113.3	Q7	S3-Q7 WeakPolarHBondContact O-CB 3.42Å; S3-Q7 WeakPolarHBondContact O-CG 2.76Å; S3-Q7 PolarHBondContact O-N 2.75Å
4	E	33.9	Very low	34.1	Very low	122 Å²	122	111.9 Å²	111.9	57%	0.57	61%	0.606	S	S	*	*	H	α-helix	trans	-73.7	-38.4	176.6	-68.8	177.5	147	0	0	111.2	M1 Q7 V8	M1-E4 PolarHBondContact O-N 3.01Å; E4-Q7 PolarHBondContact O-N 3.25Å; E4-V8 VanDerWaalsContact O-CG2 3.28Å; E4-V8 WeakPolarHBondContact O-CG2 3.37Å; E4-V8 PolarHBondContact O-N 3.12Å
5	V	32.9	Very low	34.4	Very low	84 Å²	84	110.7 Å²	110.7	51%	0.509	60%	0.603	S	S	.	*	H	α-helix	trans	-65.2	-39.1	173.1	173.6	0	0	0	0	111.3	M1 V8 L9	M1-V5 WeakPolarHBondContact O-CG2 3.12Å; M1-V5 PolarHBondContact O-N 2.78Å; M1-V5 VanDerWaalsContact O-N 3.17Å; V5-V8 PolarHBondContact O-N 3.49Å; V5-L9 HydrophobicContact CG1-CD1 4.14Å; V5-L9 WeakPolarHBondContact O-CB 3.34Å; V5-L9 WeakPolarHBondContact O-CG 3.23Å; V5-L9 PolarHBondContact O-N 2.89Å
6	L	34.2	Very low	34.4	Very low	94 Å²	94	105.9 Å²	105.9	49%	0.492	59%	0.588	S	S	.	*	H	α-helix	trans	-68.5	-33.2	173.9	-89.9	155.7	0	0	0	113.1	L2 R10	L2-L6 WeakPolarHBondContact O-CB 3.18Å; L2-L6 PolarHBondContact O-N 2.79Å; L2-L6 VanDerWaalsContact O-N 3.08Å; L6-R10 WeakPolarHBondContact O-CB 3.48Å; L6-R10 WeakPolarHBondContact O-CG 3.5Å; L6-R10 PolarHBondContact O-N 2.76Å
7	Q	35	Very low	34.4	Very low	140 Å²	140	104 Å²	104	65%	0.654	58%	0.584	S	S	*	*	H	α-helix	trans	-70.2	-37.5	172.6	-82.8	-179.1	-13.1	0	0	112.2	S3 E4 R10 G11	S3-Q7 WeakPolarHBondContact O-CB 3.42Å; S3-Q7 WeakPolarHBondContact O-CG 2.76Å; S3-Q7 PolarHBondContact O-N 2.75Å; E4-Q7 PolarHBondContact O-N 3.25Å; Q7-R10 PolarHBondContact O-N 3.22Å; Q7-G11 PolarHBondContact O-N 3.01Å
8	V	36.1	Very low	34.5	Very low	106 Å²	106	101.1 Å²	101.1	64%	0.642	58%	0.575	S	S	*	*	H	α-helix	trans	-66.9	-40.9	174.3	171.5	0	0	0	0	111.2	E4 V5 G11 A12	E4-V8 VanDerWaalsContact O-CG2 3.28Å; E4-V8 WeakPolarHBondContact O-CG2 3.37Å; E4-V8 PolarHBondContact O-N 3.12Å; V5-V8 PolarHBondContact O-N 3.49Å; V8-G11 PolarHBondContact O-N 2.99Å; V8-A12 WeakPolarHBondContact O-CB 3.4Å; V8-A12 PolarHBondContact O-N 3.38Å
9	L	35.6	Very low	34.4	Very low	112 Å²	112	100.7 Å²	100.7	59%	0.586	57%	0.571	S	S	*	*	H	α-helix	trans	-67.2	-38.3	175.1	-73.5	168.2	0	0	0	112.6	V5 A12 G13	V5-L9 HydrophobicContact CG1-CD1 4.14Å; V5-L9 WeakPolarHBondContact O-CB 3.34Å; V5-L9 WeakPolarHBondContact O-CG 3.23Å; V5-L9 PolarHBondContact O-N 2.89Å; L9-A12 PolarHBondContact O-N 3.27Å; L9-G13 PolarHBondContact O-N 3.33Å
10	R	36.3	Very low	34.7	Very low	189 Å²	189	101 Å²	101	71%	0.713	57%	0.574	S	S	*	*	H	α-helix	trans	-68.9	-33.7	172	-80.5	-178.3	-178.4	168.5	1.6	112.8	L6 Q7 K14	L6-R10 WeakPolarHBondContact O-CB 3.48Å; L6-R10 WeakPolarHBondContact O-CG 3.5Å; L6-R10 PolarHBondContact O-N 2.76Å; Q7-R10 PolarHBondContact O-N 3.22Å; R10-K14 WeakPolarHBondContact O-CG 3.42Å; R10-K14 PolarHBondContact O-N 3.28Å
11	G	33.2	Very low	34.9	Very low	35 Å²	35	100.1 Å²	100.1	36%	0.361	57%	0.571	S	S	.	*	H	α-helix	trans	-65.2	-45.6	172.5	0	0	0	0	0	111.8	Q7 V8 G13 K14 V15	Q7-G11 PolarHBondContact O-N 3.01Å; V8-G11 PolarHBondContact O-N 2.99Å; G11-G13 PolarHBondContact O-N 2.84Å; G11-K14 PolarHBondContact O-N 3.14Å; G11-V15 WeakPolarHBondContact O-CG2 3.36Å; G11-V15 PolarHBondContact O-N 2.79Å
12	A	35	Very low	35	Very low	62 Å²	62	95.1 Å²	95.1	51%	0.512	55%	0.551	S	S	.	*	H	α-helix	trans	-63.3	-38.1	176.7	0	0	0	0	0	112.7	V8 L9 V15 G16	V8-A12 WeakPolarHBondContact O-CB 3.4Å; V8-A12 PolarHBondContact O-N 3.38Å; L9-A12 PolarHBondContact O-N 3.27Å; A12-V15 PolarHBondContact O-N 3.12Å; A12-G16 PolarHBondContact O-N 3.29Å
13	G	33.9	Very low	35.5	Very low	47 Å²	47	93.9 Å²	93.9	49%	0.485	54%	0.541	S	S	.	.	H	α-helix	trans	-65	-37.3	174.1	0	0	0	0	0	113.7	L9 G11 S17	L9-G13 PolarHBondContact O-N 3.33Å; G11-G13 PolarHBondContact O-N 2.84Å; G13-S17 WeakPolarHBondContact O-CB 3.48Å; G13-S17 PolarHBondContact O-N 2.92Å
14	K	36.8	Very low	35.9	Very low	162 Å²	162	91.8 Å²	91.8	70%	0.704	53%	0.533	S	S	*	.	H	α-helix	trans	-72.4	-36.3	176.6	-73.3	-179.7	178.6	-175	0	112.7	R10 G11 A18	R10-K14 WeakPolarHBondContact O-CG 3.42Å; R10-K14 PolarHBondContact O-N 3.28Å; G11-K14 PolarHBondContact O-N 3.14Å; K14-A18 WeakPolarHBondContact O-CB 3.47Å; K14-A18 PolarHBondContact O-N 3.38Å
15	V	38.4	Very low	36.1	Very low	93 Å²	93	92.3 Å²	92.3	56%	0.564	54%	0.536	S	S	*	.	H	α-helix	trans	-70.1	-39.4	174.2	175.9	0	0	0	0	110.9	G11 A12 A18 L19	G11-V15 WeakPolarHBondContact O-CG2 3.36Å; G11-V15 PolarHBondContact O-N 2.79Å; A12-V15 PolarHBondContact O-N 3.12Å; V15-A18 PolarHBondContact O-N 3.17Å; V15-L19 HydrophobicContact CG1-CD1 4.37Å; V15-L19 WeakPolarHBondContact O-CB 3.49Å; V15-L19 PolarHBondContact O-N 3.24Å
16	G	33.7	Very low	36.1	Very low	35 Å²	35	95 Å²	95	36%	0.361	54%	0.543	S	S	.	.	H	α-helix	trans	-63.2	-43	173.8	0	0	0	0	0	113.1	A12 L19 V20	A12-G16 PolarHBondContact O-N 3.29Å; G16-L19 PolarHBondContact O-N 3.05Å; G16-V20 WeakPolarHBondContact O-CG2 3.3Å; G16-V20 PolarHBondContact O-N 3.21Å
17	S	35.7	Very low	36.2	Very low	73 Å²	73	96.3 Å²	96.3	51%	0.51	55%	0.549	S	S	.	.	H	α-helix	trans	-64.2	-39	174.8	171.7	0	0	0	0	112.6	G13 V20 T21	G13-S17 WeakPolarHBondContact O-CB 3.48Å; G13-S17 PolarHBondContact O-N 2.92Å; S17-V20 PolarHBondContact O-N 3.15Å; S17-T21 PolarHBondContact O-N 3.11Å; S17-T21 VanDerWaalsContact O-N 3.09Å; S17-T21 PolarHBondContact O-OG1 3.17Å; S17-T21 VanDerWaalsContact O-OG1 3.07Å
18	A	36.1	Very low	36.1	Very low	52 Å²	52	99.3 Å²	99.3	43%	0.43	56%	0.555	S	S	.	*	H	α-helix	trans	-69.3	-31.1	176.5	0	0	0	0	0	113.3	K14 V15 T21 T22	K14-A18 WeakPolarHBondContact O-CB 3.47Å; K14-A18 PolarHBondContact O-N 3.38Å; V15-A18 PolarHBondContact O-N 3.17Å; A18-T21 WeakPolarHBondContact CA-OG1 3.4Å; A18-T21 PolarHBondContact O-OG1 3.25Å; A18-T21 VanDerWaalsContact O-OG1 3.04Å; A18-T22 PolarHBondContact O-N 3.49Å; A18-T22 VanDerWaalsContact O-N 3.12Å; A18-T22 PolarHBondContact O-OG1 2.96Å
19	L	32.4	Very low	36.1	Very low	94 Å²	94	101.2 Å²	101.2	49%	0.492	56%	0.56	S	S	.	*	H	α-helix	trans	-73.4	-37	176.2	-124.3	134.8	0	0	0	112	V15 G16 T22 Q23	V15-L19 HydrophobicContact CG1-CD1 4.37Å; V15-L19 WeakPolarHBondContact O-CB 3.49Å; V15-L19 PolarHBondContact O-N 3.24Å; G16-L19 PolarHBondContact O-N 3.05Å; L19-T22 WeakPolarHBondContact CA-OG1 3.17Å; L19-T22 PolarHBondContact O-OG1 2.65Å; L19-Q23 WeakPolarHBondContact O-CB 3.22Å; L19-Q23 PolarHBondContact O-N 3.12Å
20	V	39.6	Very low	36	Very low	105 Å²	105	103.5 Å²	103.5	64%	0.636	57%	0.57	S	S	*	*	H	α-helix	trans	-70.6	-37.3	175.8	171.8	0	0	0	0	111.3	G16 S17 G24	G16-V20 WeakPolarHBondContact O-CG2 3.3Å; G16-V20 PolarHBondContact O-N 3.21Å; S17-V20 PolarHBondContact O-N 3.15Å; V20-G24 PolarHBondContact O-N 3.02Å
21	T	40.1	Very low	36	Very low	84 Å²	84	97.9 Å²	97.9	52%	0.515	56%	0.564	S	S	.	*	H	α-helix	trans	-71.6	-37	175.3	48.6	0	0	0	0	112.8	S17 A18 G24 E25	S17-T21 PolarHBondContact O-N 3.11Å; S17-T21 VanDerWaalsContact O-N 3.09Å; S17-T21 PolarHBondContact O-OG1 3.17Å; S17-T21 VanDerWaalsContact O-OG1 3.07Å; A18-T21 WeakPolarHBondContact CA-OG1 3.4Å; A18-T21 PolarHBondContact O-OG1 3.25Å; A18-T21 VanDerWaalsContact O-OG1 3.04Å; T21-G24 PolarHBondContact O-N 3.11Å; T21-E25 PolarHBondContact O-N 3.01Å; T21-E25 VanDerWaalsContact O-N 3.1Å
22	T	40.8	Very low	36.1	Very low	82 Å²	82	101.3 Å²	101.3	50%	0.503	58%	0.581	S	S	.	*	H	α-helix	trans	-71.7	-34.6	176.1	32.3	0	0	0	0	113.5	A18 L19 Q26	A18-T22 PolarHBondContact O-N 3.49Å; A18-T22 VanDerWaalsContact O-N 3.12Å; A18-T22 PolarHBondContact O-OG1 2.96Å; L19-T22 WeakPolarHBondContact CA-OG1 3.17Å; L19-T22 PolarHBondContact O-OG1 2.65Å; T22-Q26 PolarHBondContact O-N 3.49Å
23	Q	38.3	Very low	36.3	Very low	117 Å²	117	106 Å²	106	55%	0.547	60%	0.598	S	S	.	*	H	α-helix	trans	-72.6	-33.5	170.8	-77.5	-172	-20.6	0	0	112.4	L19 Q26 L27	L19-Q23 WeakPolarHBondContact O-CB 3.22Å; L19-Q23 PolarHBondContact O-N 3.12Å; Q23-Q26 PolarHBondContact O-N 2.87Å; Q23-L27 WeakPolarHBondContact O-CB 3.36Å; Q23-L27 PolarHBondContact O-N 3.13Å
24	G	36.8	Very low	36.3	Very low	39 Å²	39	107.9 Å²	107.9	40%	0.402	60%	0.603	S	S	.	*	H	α-helix	trans	-63.2	-37.7	174.9	0	0	0	0	0	113.7	V20 T21 R28	V20-G24 PolarHBondContact O-N 3.02Å; T21-G24 PolarHBondContact O-N 3.11Å; G24-R28 WeakPolarHBondContact O-CB 3.17Å; G24-R28 PolarHBondContact O-N 3.42Å
25	E	37	Very low	36.4	Very low	134 Å²	134	106.3 Å²	106.3	63%	0.626	61%	0.612	S	S	*	*	H	α-helix	trans	-71.9	-34.2	175.9	-75.2	-177.1	161.1	0	0	113	T21 R28 L29	T21-E25 PolarHBondContact O-N 3.01Å; T21-E25 VanDerWaalsContact O-N 3.1Å; E25-R28 PolarHBondContact O-N 3.49Å; E25-L29 PolarHBondContact O-N 2.84Å
26	Q	33.8	Very low	36.5	Very low	141 Å²	141	106.8 Å²	106.8	66%	0.659	62%	0.616	S	S	*	*	H	α-helix	trans	-69.6	-37.3	172.9	-77.3	-165.6	-26.5	0	0	112.8	T22 Q23 L29 M30	T22-Q26 PolarHBondContact O-N 3.49Å; Q23-Q26 PolarHBondContact O-N 2.87Å; Q26-L29 PolarHBondContact O-N 2.78Å; Q26-M30 PolarHBondContact O-N 3.25Å
27	L	35.7	Very low	36.6	Very low	120 Å²	120	108.1 Å²	108.1	63%	0.628	63%	0.629	S	S	*	*	H	α-helix	trans	-66.9	-35.3	173.2	-98.2	144.9	0	0	0	112.3	Q23 L29 M30 A31	Q23-L27 WeakPolarHBondContact O-CB 3.36Å; Q23-L27 PolarHBondContact O-N 3.13Å; L27-L29 VanDerWaalsContact C-N 3.35Å; L27-M30 PolarHBondContact O-N 2.81Å; L27-A31 WeakPolarHBondContact O-CB 3.46Å; L27-A31 PolarHBondContact O-N 2.94Å; L27-A31 VanDerWaalsContact O-N 3.11Å
28	R	33.1	Very low	36.5	Very low	204 Å²	204	108.8 Å²	108.8	77%	0.77	64%	0.639	S	S	*	*	H	α-helix	trans	-68.8	-31.7	176.6	-157.2	175.9	-177.9	172.4	1.7	112.8	G24 E25	G24-R28 WeakPolarHBondContact O-CB 3.17Å; G24-R28 PolarHBondContact O-N 3.42Å; E25-R28 PolarHBondContact O-N 3.49Å
29	L	35.9	Very low	36.4	Very low	146 Å²	146	108.9 Å²	108.9	76%	0.764	65%	0.645	S	S	*	*	H	α-helix	trans	-75.4	-28.5	173.9	-82.6	160.3	0	0	0	113.2	E25 Q26 L27	E25-L29 PolarHBondContact O-N 2.84Å; Q26-L29 PolarHBondContact O-N 2.78Å; L27-L29 VanDerWaalsContact C-N 3.35Å
30	M	34.3	Very low	36.6	Very low	160 Å²	160	108.6 Å²	108.6	79%	0.788	65%	0.647	S	S	*	*	H	α-helix	trans	-80	-25.4	174.7	-76.2	-170.4	173.2	0	0	113.7	Q26 L27 C32	Q26-M30 PolarHBondContact O-N 3.25Å; L27-M30 PolarHBondContact O-N 2.81Å; M30-C32 VanDerWaalsContact C-N 3.3Å; M30-C32 PolarHBondContact O-N 3.26Å
31	A	35.5	Very low	36.4	Very low	70 Å²	70	110.5 Å²	110.5	58%	0.579	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-78.4	-4.2	-176.4	0	0	0	0	0	115.1	L27 N33	L27-A31 WeakPolarHBondContact O-CB 3.46Å; L27-A31 PolarHBondContact O-N 2.94Å; L27-A31 VanDerWaalsContact O-N 3.11Å; A31-N33 VanDerWaalsContact C-N 3.27Å; A31-N33 PolarHBondContact O-N 2.84Å
32	C	35.9	Very low	36.1	Very low	107 Å²	107	109.5 Å²	109.5	72%	0.723	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-78.8	1.9	179.7	-74.4	0	0	0	0	115.2	M30	M30-C32 VanDerWaalsContact C-N 3.3Å; M30-C32 PolarHBondContact O-N 3.26Å
33	N	38.2	Very low	35.7	Very low	162 Å²	162	108.8 Å²	108.8	87%	0.866	65%	0.649	S	S	*	*	G	3₁₀ helix	trans	-129	16.6	-172.6	-95.1	-3.4	0	0	0	117	A31	A31-N33 VanDerWaalsContact C-N 3.27Å; A31-N33 PolarHBondContact O-N 2.84Å
34	S	34.5	Very low	35.4	Very low	85 Å²	85	108.2 Å²	108.2	59%	0.594	65%	0.647	S	S	*	*	S	Bend	trans	-153.8	150.4	169.7	60	0	0	0	0	113.5	V36	S34-V36 PolarHBondContact O-N 3.48Å
35	S	39.4	Very low	35.2	Very low	129 Å²	129	111.2 Å²	111.2	90%	0.902	65%	0.654	S	S	*	*	S	Bend	trans	-72.7	53.5	-173.4	56	0	0	0	0	113.9
36	V	38.9	Very low	35.2	Very low	104 Å²	104	109.4 Å²	109.4	63%	0.63	65%	0.651	S	S	*	*			trans	-117.7	52.7	173.1	-168.5	0	0	0	0	108.7	S34	S34-V36 PolarHBondContact O-N 3.48Å
37	G	35.5	Very low	35	Very low	63 Å²	63	105 Å²	105	65%	0.649	64%	0.639	S	S	*	*			trans	-93.6	-15.3	-176.9	0	0	0	0	0	115.2
38	A	33.6	Very low	34.8	Very low	87 Å²	87	105.1 Å²	105.1	72%	0.719	64%	0.636	S	S	*	*	S	Bend	trans	-95.3	-31.5	-171.7	0	0	0	0	0	114.1
39	G	35.8	Very low	34.8	Very low	54 Å²	54	97.4 Å²	97.4	56%	0.557	62%	0.62	S	S	*	*	H	α-helix	trans	-78.5	-29.3	-178.1	0	0	0	0	0	114.4
40	V	36.4	Very low	34.5	Very low	87 Å²	87	95.5 Å²	95.5	53%	0.527	61%	0.61	S	S	.	*	H	α-helix	trans	-75	-30.4	-178.4	-179.9	0	0	0	0	111.5	A43 Q44	V40-A43 PolarHBondContact O-N 3.23Å; V40-Q44 WeakPolarHBondContact O-CB 3.43Å; V40-Q44 PolarHBondContact O-N 2.99Å; V40-Q44 VanDerWaalsContact O-N 3.1Å
41	K	33.6	Very low	34.2	Very low	145 Å²	145	93.4 Å²	93.4	63%	0.63	60%	0.602	S	S	*	*	H	α-helix	trans	-69.9	-37.2	179.9	-151.8	173.6	-175.9	-177.6	0	112.5	Q44 D45	K41-Q44 PolarHBondContact O-N 3.21Å; K41-D45 PolarHBondContact O-N 3.11Å
42	A	33.8	Very low	33.8	Very low	63 Å²	63	93.6 Å²	93.6	52%	0.521	60%	0.603	S	S	.	*	H	α-helix	trans	-69.2	-33.2	176.5	0	0	0	0	0	113.2	V46	A42-V46 VanDerWaalsContact O-CG2 3.28Å; A42-V46 WeakPolarHBondContact O-CG2 3.46Å
43	A	33.5	Very low	33.6	Very low	67 Å²	67	94 Å²	94	55%	0.554	60%	0.603	S	S	*	*	H	α-helix	trans	-75.9	-28.9	175.2	0	0	0	0	0	112.5	V40 A47	V40-A43 PolarHBondContact O-N 3.23Å; A43-A47 WeakPolarHBondContact O-CB 3.32Å; A43-A47 PolarHBondContact O-N 3.14Å
44	Q	32.3	Very low	33	Very low	106 Å²	106	94.6 Å²	94.6	50%	0.495	60%	0.598	S	S	.	*	H	α-helix	trans	-79.5	-37	-179.5	-158.9	162.9	-5.6	0	0	112.3	V40 K41 V46 A47 E48	V40-Q44 WeakPolarHBondContact O-CB 3.43Å; V40-Q44 PolarHBondContact O-N 2.99Å; V40-Q44 VanDerWaalsContact O-N 3.1Å; K41-Q44 PolarHBondContact O-N 3.21Å; Q44-V46 VanDerWaalsContact C-N 3.32Å; Q44-V46 PolarHBondContact O-N 3.07Å; Q44-A47 PolarHBondContact O-N 3.23Å; Q44-E48 PolarHBondContact O-N 3.41Å
45	D	32.5	Very low	32.8	Very low	102 Å²	102	98.8 Å²	98.8	55%	0.545	61%	0.61	S	S	.	*	H	α-helix	trans	-66.7	-32.2	174.2	-70.7	-17.5	0	0	0	112.2	K41 G49	K41-D45 PolarHBondContact O-N 3.11Å; D45-G49 PolarHBondContact O-N 3.37Å
46	V	36.1	Very low	32.1	Very low	95 Å²	95	95.5 Å²	95.5	58%	0.576	60%	0.596	S	S	*	*	H	α-helix	trans	-72.5	-36.3	174.3	173.4	0	0	0	0	111.4	A42 Q44 L50	A42-V46 VanDerWaalsContact O-CG2 3.28Å; A42-V46 WeakPolarHBondContact O-CG2 3.46Å; Q44-V46 VanDerWaalsContact C-N 3.32Å; Q44-V46 PolarHBondContact O-N 3.07Å; V46-L50 HydrophobicContact CG1-CD1 4.14Å; V46-L50 PolarHBondContact O-N 3.33Å; V46-L50 VanDerWaalsContact O-N 3.16Å
47	A	31	Very low	31.4	Very low	49 Å²	49	96.4 Å²	96.4	41%	0.405	61%	0.607	S	S	.	*	H	α-helix	trans	-74.2	-35.5	177.7	0	0	0	0	0	113	A43 Q44 L51	A43-A47 WeakPolarHBondContact O-CB 3.32Å; A43-A47 PolarHBondContact O-N 3.14Å; Q44-A47 PolarHBondContact O-N 3.23Å; A47-L51 PolarHBondContact O-N 2.84Å
48	E	31	Very low	31.1	Very low	122 Å²	122	99.9 Å²	99.9	57%	0.57	62%	0.617	S	S	*	*	H	α-helix	trans	-74.1	-33.2	173.8	-75.3	-175.6	-179.5	0	0	112.3	Q44 L51 A52	Q44-E48 PolarHBondContact O-N 3.41Å; E48-L51 PolarHBondContact O-N 3.23Å; E48-A52 WeakPolarHBondContact O-CB 3.41Å; E48-A52 PolarHBondContact O-N 3.43Å
49	G	32	Very low	30.8	Very low	42 Å²	42	103.3 Å²	103.3	43%	0.433	62%	0.622	S	S	.	*	H	α-helix	trans	-63.4	-40	171.5	0	0	0	0	0	113.4	D45 T53	D45-G49 PolarHBondContact O-N 3.37Å; G49-T53 PolarHBondContact O-OG1 2.98Å
50	L	30.1	Very low	30.3	Very low	106 Å²	106	110 Å²	110	56%	0.555	64%	0.639	S	S	*	*	H	α-helix	trans	-72	-29.8	176.8	-91.6	152.5	0	0	0	113.2	V46	V46-L50 HydrophobicContact CG1-CD1 4.14Å; V46-L50 PolarHBondContact O-N 3.33Å; V46-L50 VanDerWaalsContact O-N 3.16Å
51	L	28.1	Very low	29.7	Very low	116 Å²	116	110.5 Å²	110.5	61%	0.607	65%	0.647	S	S	*	*	H	α-helix	trans	-81.4	-27.9	177.5	-86.6	159.9	0	0	0	113.2	A47 E48 T53 F54	A47-L51 PolarHBondContact O-N 2.84Å; E48-L51 PolarHBondContact O-N 3.23Å; L51-T53 VanDerWaalsContact C-N 3.32Å; L51-F54 PolarHBondContact O-N 3.44Å
52	A	27.3	Very low	29.2	Very low	74 Å²	74	111.3 Å²	111.3	61%	0.612	66%	0.656	S	S	*	*	H	α-helix	trans	-69.4	-27.6	173.9	0	0	0	0	0	112.9	E48	E48-A52 WeakPolarHBondContact O-CB 3.41Å; E48-A52 PolarHBondContact O-N 3.43Å
53	T	31.9	Very low	28.8	Very low	116 Å²	116	117 Å²	117	71%	0.712	67%	0.67	S	S	*	*	H	α-helix	trans	-74.5	-24.4	175.6	-35.1	0	0	0	0	112.8	G49 L51	G49-T53 PolarHBondContact O-OG1 2.98Å; L51-T53 VanDerWaalsContact C-N 3.32Å
54	F	26.3	Very low	28.5	Very low	175 Å²	175	121.6 Å²	121.6	77%	0.768	68%	0.68	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-6.2	-176.1	-96.8	-82.9	0	0	0	115	L51	L51-F54 PolarHBondContact O-N 3.44Å
55	M	29.9	Very low	28.5	Very low	173 Å²	173	123.7 Å²	123.7	85%	0.852	69%	0.694	S	S	*	*	S	Bend	trans	-123.8	8.6	-174.1	-69.9	-163.8	68.5	0	0	116.1
56	G	24.7	Very low	28.7	Very low	59 Å²	59	124.3 Å²	124.3	61%	0.608	70%	0.701	S	S	*	*	S	Bend	trans	-151.1	76	-176.7	0	0	0	0	0	115.7
57	S	24.1	Very low	28.5	Very low	123 Å²	123	125.7 Å²	125.7	86%	0.86	70%	0.7	S	S	*	*			trans	-179.9	103.9	135.7	56.6	0	0	0	0	110.7
58	T	28.3	Very low	29	Very low	137 Å²	137	125.3 Å²	125.3	84%	0.84	69%	0.693	S	S	*	*			trans	-70.4	145	157.9	37.7	0	0	0	0	110.5
59	N	27.3	Very low	29.5	Very low	158 Å²	158	126 Å²	126	85%	0.845	70%	0.701	S	S	*	*			trans	69.3	93.6	173.1	-84.2	-0.4	0	0	0	116.7
60	E	25.5	Very low	30	Very low	194 Å²	194	128.1 Å²	128.1	91%	0.907	71%	0.714	S	S	*	*				-163.9	151.9	126.4	-107.3	169.1	-171.1	0	0	110
61	S	24.4	Very low	30.4	Very low	99 Å²	99	131 Å²	131	69%	0.692	72%	0.724	S	S	*	*			trans	-48.3	131.5	-168.4	51.1	0	0	0	0	115.1	K63	S61-K63 PolarHBondContact O-N 2.91Å
62	I	23.9	Very low	31	Very low	161 Å²	161	127.1 Å²	127.1	83%	0.826	71%	0.713	S	S	*	*			trans	-61.4	103	163.6	-60.2	170.2	0	0	0	107.3
63	K	24.8	Very low	31.7	Very low	184 Å²	184	128.7 Å²	128.7	80%	0.8	70%	0.703	S	S	*	*			trans	-79.9	117.9	156.8	-82.4	-176.3	175.2	-179.8	0	106.1	S61 D65	S61-K63 PolarHBondContact O-N 2.91Å; K63-D65 PolarHBondContact O-N 3.27Å
64	E	27	Very low	32.2	Very low	163 Å²	163	131.2 Å²	131.2	76%	0.762	71%	0.707	S	S	*	*			trans	-62.3	129.6	165.5	-70.7	175.8	149.5	0	0	108.1	V66	E64-V66 VanDerWaalsContact C-N 3.35Å; E64-V66 PolarHBondContact O-N 3.36Å
65	D	31.3	Very low	32.9	Very low	150 Å²	150	129.9 Å²	129.9	80%	0.802	71%	0.708	S	S	*	*			trans	-69	95	171.3	-73	-37.9	0	0	0	108.4	K63	K63-D65 PolarHBondContact O-N 3.27Å
66	V	37.1	Very low	33.7	Very low	114 Å²	114	123.7 Å²	123.7	69%	0.691	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-83.5	132.7	175.5	177.5	0	0	0	0	108.9	E64	E64-V66 VanDerWaalsContact C-N 3.35Å; E64-V66 PolarHBondContact O-N 3.36Å
67	F	33.1	Very low	34.7	Very low	125 Å²	125	125.4 Å²	125.4	55%	0.548	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-56.2	133.1	176.3	-142	-99.4	0	0	0	110.5	W73 W84	F67-W73 HydrophobicContact CD1-CZ2 4.19Å; F67-W73 HydrophobicContact CE1-CH2 4.42Å; F67-W73 AromaticContact CE1-CZ2 3.6Å; F67-W73 HydrophobicContact CE1-CZ2 3.6Å; F67-W73 HydrophobicContact CZ-CZ2 4.16Å; F67-W84 HydrophobicContact CD2-CE3 4.17Å; F67-W84 AromaticContact CD2-CZ3 3.99Å; F67-W84 HydrophobicContact CD2-CZ3 3.99Å; F67-W84 AromaticContact CE2-CE3 3.76Å; F67-W84 HydrophobicContact CE2-CE3 3.76Å; F67-W84 AromaticContact CE2-CZ3 3.98Å; F67-W84 HydrophobicContact CE2-CZ3 3.98Å
68	P	41.4	Very low	35.6	Very low	41 Å²	41	124.4 Å²	124.4	27%	0.266	66%	0.663	S	S	.	*	P	Polyproline II helix	trans	-69.6	140.2	-175.1	18.8	-23.2	0	0	0	112.8	W73 M76	P68-W73 HydrophobicContact CG-CZ2 4.05Å; P68-W73 PolarHBondContact O-NE1 3.26Å; P68-M76 HydrophobicContact CG-SD 4.45Å
69	D	41.7	Very low	36.3	Very low	136 Å²	136	124.3 Å²	124.3	73%	0.727	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-69	162.7	175.6	-61.1	-27.1	0	0	0	111.7	E71 G72	D69-E71 VanDerWaalsContact C-N 3.26Å; D69-E71 PolarHBondContact O-N 2.79Å; D69-G72 WeakPolarHBondContact O-CA 3.3Å; D69-G72 PolarHBondContact O-N 3.48Å
70	A	40.9	Very low	37.1	Very low	86 Å²	86	121.6 Å²	121.6	71%	0.711	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	-31.4	-168.9	0	0	0	0	0	115.4
71	E	39.3	Very low	38.1	Very low	166 Å²	166	113.8 Å²	113.8	78%	0.776	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.8	-19.1	176.2	-67.2	-175.6	171.1	0	0	113.3	D69	D69-E71 VanDerWaalsContact C-N 3.26Å; D69-E71 PolarHBondContact O-N 2.79Å
72	G	39.9	Very low	38.8	Very low	36 Å²	36	112.5 Å²	112.5	37%	0.371	60%	0.603	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.1	-24.2	178.2	0	0	0	0	0	113.8	D69 M76	D69-G72 WeakPolarHBondContact O-CA 3.3Å; D69-G72 PolarHBondContact O-N 3.48Å; G72-M76 PolarHBondContact O-N 2.96Å
73	W	43.8	Very low	39.6	Very low	106 Å²	106	114.6 Å²	114.6	40%	0.402	60%	0.601	S	S	.	*	G	3₁₀ helix	trans	-70.3	-33.1	179.3	-74.9	89.2	0	0	0	113.2	F67 P68 N75 W84	F67-W73 HydrophobicContact CD1-CZ2 4.19Å; F67-W73 HydrophobicContact CE1-CH2 4.42Å; F67-W73 AromaticContact CE1-CZ2 3.6Å; F67-W73 HydrophobicContact CE1-CZ2 3.6Å; F67-W73 HydrophobicContact CZ-CZ2 4.16Å; P68-W73 HydrophobicContact CG-CZ2 4.05Å; P68-W73 PolarHBondContact O-NE1 3.26Å; W73-N75 PolarHBondContact O-N 3.36Å; W73-W84 HydrophobicContact CH2-CB 4.24Å
74	E	41.6	Very low	40.2	Very low	170 Å²	170	111.1 Å²	111.1	79%	0.794	58%	0.583	S	S	*	*	G	3₁₀ helix	trans	-73.8	-14.8	-177.8	-70.9	-171.9	156.1	0	0	113.2
75	N	40.6	Very low	40.6	Very low	146 Å²	146	107.1 Å²	107.1	78%	0.781	58%	0.578	S	S	*	*	G	3₁₀ helix	trans	-121	12.5	-177.3	-65.1	-58.3	0	0	0	113.8	W73	W73-N75 PolarHBondContact O-N 3.36Å
76	M	47.4	Very low	40.5	Very low	43 Å²	43	106.6 Å²	106.6	21%	0.212	58%	0.58	C	S	.	*			trans	-81.7	139.7	-177.4	-166.5	164.7	-176.8	0	0	111.9	P68 G72 E80 A81	P68-M76 HydrophobicContact CG-SD 4.45Å; G72-M76 PolarHBondContact O-N 2.96Å; M76-E80 HydrophobicContact CE-CB 3.85Å; M76-E80 HydrophobicContact CE-CG 3.6Å; M76-E80 HydrophobicContact CG-CB 4.41Å; M76-A81 HydrophobicContact CG-CB 4.44Å
77	D	45.5	Very low	39.9	Very low	96 Å²	96	104.2 Å²	104.2	51%	0.513	58%	0.578	S	S	.	*			trans	-62.4	134.1	177.7	-169.5	-60.2	0	0	0	110.5	D79 E80 A81	D77-D79 PolarHBondContact O-N 3.4Å; D77-D79 PolarHBondContact OD1-N 3.21Å; D77-E80 HydrophobicContact CB-CB 4.3Å; D77-E80 PolarHBondContact O-N 3.1Å; D77-A81 PolarHBondContact O-N 2.73Å
78	P	42.8	Very low	39.5	Very low	102 Å²	102	102.9 Å²	102.9	66%	0.662	58%	0.584	S	S	*	*	H	α-helix	trans	-55.1	-33.5	-177.8	-25.9	33.3	0	0	0	114.9	E80 A82	P78-E80 VanDerWaalsContact C-N 3.34Å; P78-A82 PolarHBondContact O-N 2.96Å
79	D	43.8	Very low	38.6	Very low	135 Å²	135	109.3 Å²	109.3	72%	0.722	61%	0.611	S	S	*	*	H	α-helix	trans	-78.2	-21.9	179.7	-78.2	-21	0	0	0	112.2	D77	D77-D79 PolarHBondContact O-N 3.4Å; D77-D79 PolarHBondContact OD1-N 3.21Å
80	E	43.3	Very low	37.8	Very low	101 Å²	101	112 Å²	112	47%	0.472	62%	0.616	S	S	.	*	H	α-helix	trans	-84.9	-37.4	174.1	-153.2	174	-170.1	0	0	111.1	M76 D77 P78 A82 R83	M76-E80 HydrophobicContact CE-CB 3.85Å; M76-E80 HydrophobicContact CE-CG 3.6Å; M76-E80 HydrophobicContact CG-CB 4.41Å; D77-E80 HydrophobicContact CB-CB 4.3Å; D77-E80 PolarHBondContact O-N 3.1Å; P78-E80 VanDerWaalsContact C-N 3.34Å; E80-A82 VanDerWaalsContact C-N 3.26Å; E80-A82 PolarHBondContact O-N 2.81Å; E80-R83 WeakPolarHBondContact O-CB 3.3Å; E80-R83 PolarHBondContact O-N 2.99Å; E80-R83 VanDerWaalsContact O-N 3.13Å
81	A	46.8	Very low	36.9	Very low	30 Å²	30	112.7 Å²	112.7	25%	0.248	62%	0.616	C	S	.	*	H	α-helix	trans	-62.1	-32.5	173.5	0	0	0	0	0	112.4	M76 D77 R83 W84 A85	M76-A81 HydrophobicContact CG-CB 4.44Å; D77-A81 PolarHBondContact O-N 2.73Å; A81-R83 PolarHBondContact O-N 2.83Å; A81-W84 PolarHBondContact O-N 2.89Å; A81-W84 VanDerWaalsContact O-N 3.13Å; A81-A85 PolarHBondContact O-N 3.47Å
82	A	39.8	Very low	36.2	Very low	71 Å²	71	110.3 Å²	110.3	59%	0.587	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-20.7	175.7	0	0	0	0	0	113.8	P78 E80 W84	P78-A82 PolarHBondContact O-N 2.96Å; E80-A82 VanDerWaalsContact C-N 3.26Å; E80-A82 PolarHBondContact O-N 2.81Å; A82-W84 VanDerWaalsContact C-N 3.3Å
83	R	38.8	Very low	35.3	Very low	206 Å²	206	111.7 Å²	111.7	78%	0.777	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-20.8	175.1	-63.3	-176.9	175.2	177.7	-0.2	113.2	E80 A81	E80-R83 WeakPolarHBondContact O-CB 3.3Å; E80-R83 PolarHBondContact O-N 2.99Å; E80-R83 VanDerWaalsContact O-N 3.13Å; A81-R83 PolarHBondContact O-N 2.83Å
84	W	38.5	Very low	34.3	Very low	111 Å²	111	113.2 Å²	113.2	42%	0.42	65%	0.651	S	S	.	*	T	Hydrogen-bonded Turn	trans	-108.2	-5.1	-174.2	-62.9	97.4	0	0	0	113.7	F67 W73 A81 A82 V86	F67-W84 HydrophobicContact CD2-CE3 4.17Å; F67-W84 AromaticContact CD2-CZ3 3.99Å; F67-W84 HydrophobicContact CD2-CZ3 3.99Å; F67-W84 AromaticContact CE2-CE3 3.76Å; F67-W84 HydrophobicContact CE2-CE3 3.76Å; F67-W84 AromaticContact CE2-CZ3 3.98Å; F67-W84 HydrophobicContact CE2-CZ3 3.98Å; W73-W84 HydrophobicContact CH2-CB 4.24Å; A81-W84 PolarHBondContact O-N 2.89Å; A81-W84 VanDerWaalsContact O-N 3.13Å; A82-W84 VanDerWaalsContact C-N 3.3Å; W84-V86 PolarHBondContact O-N 3.34Å
85	A	36	Very low	33.4	Very low	78 Å²	78	109 Å²	109	65%	0.645	65%	0.645	S	S	*	*			trans	-89.5	82.2	-177.3	0	0	0	0	0	113	A81	A81-A85 PolarHBondContact O-N 3.47Å
86	V	28.1	Very low	32.5	Very low	140 Å²	140	109.5 Å²	109.5	85%	0.848	64%	0.642	S	S	*	*			trans	-132.3	93.9	152.8	-173.5	0	0	0	0	106.9	W84 S88	W84-V86 PolarHBondContact O-N 3.34Å; V86-S88 PolarHBondContact O-N 2.99Å
87	G	25.2	Very low	31.3	Very low	64 Å²	64	115.4 Å²	115.4	66%	0.66	67%	0.669	S	S	*	*			trans	-62.3	123.9	178.5	0	0	0	0	0	110.8
88	S	24.1	Very low	30.2	Very low	97 Å²	97	115 Å²	115	68%	0.678	68%	0.675	S	S	*	*				75.8	131.6	57.7	77.8	0	0	0	0	110.8	V86	V86-S88 PolarHBondContact O-N 2.99Å
89	E	23.3	Very low	29.2	Very low	176 Å²	176	117.8 Å²	117.8	82%	0.822	68%	0.678	S	S	*	*			cis	-153.3	128.8	36	-68.9	174.3	157.8	0	0	110.1
90	F	23.5	Very low	28.2	Very low	192 Å²	192	119.3 Å²	119.3	84%	0.842	68%	0.681	S	S	*	*				63.1	142.5	90.1	-82	-77.8	0	0	0	115.5
91	S	22.6	Very low	27.2	Very low	100 Å²	100	117.7 Å²	117.7	70%	0.699	69%	0.692	S	S	*	*			cis	-165.8	-173.9	25.7	-127	0	0	0	0	108.6
92	P	25.2	Very low	26.1	Very low	117 Å²	117	123.5 Å²	123.5	76%	0.76	72%	0.724	S	S	*	*			cis	-122.5	160.7	-2.6	32.2	-11.3	0	0	0	112.7
93	G	21.4	Very low	25.2	Very low	65 Å²	65	123.2 Å²	123.2	67%	0.67	73%	0.728	S	S	*	*				71.1	130.8	70.7	0	0	0	0	0	112.2
94	T	22.1	Very low	25.1	Very low	138 Å²	138	119.1 Å²	119.1	85%	0.847	73%	0.728	S	S	*	*			cis	-174.1	155.3	2.7	-43.6	0	0	0	0	107.5
95	A	22.3	Very low	24.4	Very low	82 Å²	82	119 Å²	119	68%	0.678	74%	0.744	S	S	*	*			trans	64.5	149.2	145.9	0	0	0	0	0	119.9
96	E	22.7	Very low	23.9	Very low	156 Å²	156	120.6 Å²	120.6	73%	0.729	75%	0.751	S	S	*	*			cis	-168.8	153.3	15.7	-125.6	168.8	-178.9	0	0	109.9
97	Q	21.5	Very low	23.7	Very low	166 Å²	166	117.4 Å²	117.4	78%	0.776	75%	0.746	S	S	*	*			trans	38.9	147.2	135.2	-71.5	174.8	19.4	0	0	121.2
98	S	21.6	Very low	23.6	Very low	89 Å²	89	122.1 Å²	122.1	62%	0.622	75%	0.753	S	S	*	*			cis	-179.2	159.5	13.9	38	0	0	0	0	108.9
99	Q	22.4	Very low	23.7	Very low	159 Å²	159	124.4 Å²	124.4	74%	0.743	75%	0.752	S	S	*	*			trans	51.9	155.5	142.9	-71.9	-174.8	-47.5	0	0	120.5
100	E	22.9	Very low	23.8	Very low	168 Å²	168	122.1 Å²	122.1	79%	0.785	75%	0.751	S	S	*	*			cis	-178.1	167.9	-6.9	-110.8	174.7	-160.3	0	0	106.2
101	G	23.3	Very low	23.8	Very low	67 Å²	67	116.4 Å²	116.4	69%	0.691	75%	0.746	S	S	*	*			trans	118.6	91.1	158.4	0	0	0	0	0	115.6
102	V	22.9	Very low	24	Very low	151 Å²	151	118.8 Å²	118.8	92%	0.915	76%	0.756	S	S	*	*				70.6	119.7	86.5	-178.9	0	0	0	0	113.8
103	G	20.6	Very low	24	Very low	66 Å²	66	117.6 Å²	117.6	68%	0.68	76%	0.757	S	S	*	*			trans	-75.9	-142.7	179.9	0	0	0	0	0	114.3
104	P	37.4	Very low	24.9	Very low	119 Å²	119	120.6 Å²	120.6	77%	0.773	76%	0.764	S	S	*	*			cis	-142.2	-162.3	-0.7	40.2	-19	0	0	0	114.6
105	S	23.3	Very low	25	Very low	109 Å²	109	118 Å²	118	76%	0.762	77%	0.765	S	S	*	*			trans	86.5	148.8	151.7	83.9	0	0	0	0	117.9
106	S	24.9	Very low	25.2	Very low	112 Å²	112	118.2 Å²	118.2	78%	0.783	78%	0.775	S	S	*	*			cis	173.2	157.6	-18.2	51.6	0	0	0	0	106.7
107	G	24	Very low	25.3	Very low	73 Å²	73	116.2 Å²	116.2	75%	0.753	79%	0.785	S	S	*	*			trans	103	105.8	155.2	0	0	0	0	0	114.8
108	M	24.2	Very low	25.5	Very low	163 Å²	163	111.8 Å²	111.8	80%	0.803	78%	0.784	S	S	*	*			cis	92.7	135.4	49.1	-163.4	155.1	92.3	0	0	113.2
109	H	25.2	Very low	25.7	Very low	144 Å²	144	119.4 Å²	119.4	67%	0.667	80%	0.799	S	S	*	*			trans	127.6	98.8	156	-75.1	-64.6	0	0	0	114.7
110	T	24.9	Very low	26.5	Very low	129 Å²	129	117.7 Å²	117.7	79%	0.791	80%	0.802	S	S	*	*				88.6	131.4	77.2	50.7	0	0	0	0	114.1
111	G	24.4	Very low	26.6	Very low	71 Å²	71	112.9 Å²	112.9	73%	0.732	80%	0.797	S	S	*	*			trans	162.1	75.9	162.7	0	0	0	0	0	117.4
112	T	25.8	Very low	26.8	Very low	150 Å²	150	118 Å²	118	92%	0.92	80%	0.803	S	S	*	*			trans	13.4	143.1	144.4	25.6	0	0	0	0	124.7
113	A	26.5	Very low	26.9	Very low	93 Å²	93	117.4 Å²	117.4	77%	0.769	80%	0.795	S	S	*	*			trans	-64.1	-171.7	175.2	0	0	0	0	0	115.1
114	P	39.6	Very low	27.1	Very low	128 Å²	128	119.2 Å²	119.2	83%	0.831	80%	0.797	S	S	*	*			cis	-151.3	169.1	29	40.8	-17.6	0	0	0	120.8
115	G	25.1	Very low	26.6	Very low	84 Å²	84	124.4 Å²	124.4	87%	0.866	80%	0.801	S	S	*	*				107.3	129.7	129.3	0	0	0	0	0	120.2
116	G	25.3	Very low	26.7	Very low	86 Å²	86	128.6 Å²	128.6	89%	0.887	81%	0.806	S	S	*	*			trans	138.2	112.9	149.7	0	0	0	0	0	117.2
117	A	26.4	Very low	26.9	Very low	113 Å²	113	130.3 Å²	130.3	93%	0.934	81%	0.805	S	S	*	*			trans	-95.6	167.1	-175.3	0	0	0	0	0	114
118	G	25	Very low	27	Very low	73 Å²	73	135.6 Å²	135.6	75%	0.753	81%	0.81	S	S	*	*			trans	135.7	101.9	151.5	0	0	0	0	0	117.8
119	W	24.5	Very low	27	Very low	250 Å²	250	133.5 Å²	133.5	95%	0.947	81%	0.807	S	S	*	*			trans	-90.5	175	145.2	-83.1	66.8	0	0	0	108.1
120	P	40.3	Very low	27	Very low	123 Å²	123	131.9 Å²	131.9	80%	0.799	81%	0.807	S	S	*	*			cis	-144.5	-176.2	16	37.9	-15.7	0	0	0	116.6
121	G	25.8	Very low	26.8	Very low	66 Å²	66	134 Å²	134	68%	0.68	81%	0.807	S	S	*	*			trans	129.4	104.5	133.7	0	0	0	0	0	121.7
122	Q	27.3	Very low	26.9	Very low	175 Å²	175	134.8 Å²	134.8	82%	0.818	80%	0.802	S	S	*	*				63.2	132.7	127	-81.8	-172.5	-17.2	0	0	125.9
123	N	23.8	Very low	26.9	Very low	139 Å²	139	136.4 Å²	136.4	74%	0.743	80%	0.798	S	S	*	*			trans	61.9	151.7	134.6	-70.1	-5.5	0	0	0	119.3
124	S	25.8	Very low	26.8	Very low	103 Å²	103	144 Å²	144	72%	0.72	81%	0.807	S	S	*	*			cis	-174.3	157.8	-2.4	40	0	0	0	0	108
125	R	27.3	Very low	26.2	Very low	228 Å²	228	147 Å²	147	86%	0.86	80%	0.802	S	S	*	*			trans	-9.2	148.4	159.4	-61.4	176.3	178.7	-174.6	-1.3	118.9
126	F	25.4	Very low	26.3	Very low	198 Å²	198	153.5 Å²	153.5	87%	0.868	81%	0.807	S	S	*	*				-171.5	140.4	112.3	-104.6	-77.4	0	0	0	112.9
127	L	28.3	Very low	26.4	Very low	147 Å²	147	157.5 Å²	157.5	77%	0.77	80%	0.796	S	S	*	*			trans	-77	153.7	168.4	-74.7	153.2	0	0	0	110.5
128	H	25.9	Very low	26.3	Very low	184 Å²	184	158.4 Å²	158.4	85%	0.852	79%	0.794	S	S	*	*			trans	-159.6	124.7	138.7	-94.2	-67.4	0	0	0	112.5
129	T	23.6	Very low	26.4	Very low	119 Å²	119	163.3 Å²	163.3	73%	0.73	80%	0.798	S	S	*	*			trans	-74.5	153.4	160.5	-26.4	0	0	0	0	108.1
130	V	25	Very low	26.4	Very low	111 Å²	111	156.5 Å²	156.5	67%	0.673	79%	0.788	S	S	*	*				169.3	144.3	85.7	174.1	0	0	0	0	111.3
131	H	22.7	Very low	25.7	Very low	172 Å²	172	162.1 Å²	162.1	80%	0.796	79%	0.793	S	S	*	*			trans	50.7	119.9	154.2	-67.1	-44.4	0	0	0	123.9
132	S	24.7	Very low	25.7	Very low	89 Å²	89	164.4 Å²	164.4	62%	0.622	80%	0.799	S	S	*	*				87.9	103.6	77.8	113.3	0	0	0	0	114.8
133	H	26.4	Very low	25.8	Very low	183 Å²	183	162.3 Å²	162.3	85%	0.847	80%	0.798	S	S	*	*				92.7	110.2	110.6	-85.5	-31.8	0	0	0	117
134	R	25.5	Very low	26	Very low	254 Å²	254	164.4 Å²	164.4	96%	0.958	80%	0.803	S	S	*	*				-171.5	142.6	115.2	-106.6	180	-177.7	-164.3	1.4	112.7
135	R	25.4	Very low	26.3	Very low	191 Å²	191	166.7 Å²	166.7	72%	0.721	81%	0.807	S	S	*	*			trans	-72.8	151.3	-176.1	-74.9	168.2	163.1	159.6	-4	113.3
136	F	27.4	Very low	26.5	Very low	219 Å²	219	161.9 Å²	161.9	96%	0.961	80%	0.803	S	S	*	*			trans	-139.2	135.4	134.3	-98.9	-84.4	0	0	0	109.4
137	Y	27.8	Very low	26.9	Very low	171 Å²	171	158.7 Å²	158.7	67%	0.671	80%	0.799	S	S	*	*			trans	-94.7	150.5	-175.8	-96.4	-90.3	0	0	0	111.4
138	C	25.4	Very low	27.5	Very low	132 Å²	132	158.2 Å²	158.2	89%	0.892	80%	0.803	S	S	*	*			trans	-148.6	128.9	141.3	-108.1	0	0	0	0	109.9
139	Q	26.4	Very low	28.2	Very low	176 Å²	176	153.3 Å²	153.3	82%	0.822	79%	0.794	S	S	*	*			trans	-64.5	157.9	-179.4	-70.2	163.2	-55.9	0	0	111.7
140	S	23.7	Very low	29.4	Very low	107 Å²	107	156.7 Å²	156.7	75%	0.748	80%	0.798	S	S	*	*				-174.8	135.6	60.1	-61.3	0	0	0	0	112.4
141	R	25.7	Very low	30.4	Very low	240 Å²	240	157.7 Å²	157.7	91%	0.906	80%	0.799	S	S	*	*				-176.5	121.6	121.6	-109.9	-178.9	172.6	-166.5	-2.6	113.3
142	S	27.3	Very low	32.6	Very low	115 Å²	115	152.4 Å²	152.4	80%	0.804	78%	0.779	S	S	*	*			trans	26.8	120.5	155	62.7	0	0	0	0	121.8
143	V	27.8	Very low	34.4	Very low	131 Å²	131	153.4 Å²	153.4	79%	0.794	78%	0.784	S	S	*	*			trans	-73	129	167.2	-179.2	0	0	0	0	110.5
144	H	28.1	Very low	36	Very low	183 Å²	183	152 Å²	152	85%	0.847	78%	0.777	S	S	*	*			trans	-107.8	120.6	148.9	-106.2	-55.6	0	0	0	107	T146	H144-T146 PolarHBondContact O-N 3.45Å
145	D	33	Very low	38	Very low	150 Å²	150	143.4 Å²	143.4	80%	0.802	75%	0.751	S	S	*	*			trans	-58.8	117.7	168.6	-108.7	-30.4	0	0	0	109.5
146	T	31.9	Very low	40.1	Very low	127 Å²	127	138.4 Å²	138.4	78%	0.779	74%	0.737	S	S	*	*			trans	-129.2	107	157.9	34.3	0	0	0	0	108.9	H144 V148	H144-T146 PolarHBondContact O-N 3.45Å; T146-V148 PolarHBondContact O-N 3Å
147	V	32.7	Very low	41.8	Very low	131 Å²	131	134.2 Å²	134.2	79%	0.794	72%	0.719	S	S	*	*			trans	-34.6	118.8	167.7	177.9	0	0	0	0	110.3	A149	V147-A149 PolarHBondContact O-N 2.97Å
148	V	40.8	Very low	43.7	Very low	138 Å²	138	133.2 Å²	133.2	84%	0.836	72%	0.718	S	S	*	*			trans	-67.2	89.9	164.8	-179.5	0	0	0	0	106.4	T146 K150	T146-V148 PolarHBondContact O-N 3Å; V148-K150 PolarHBondContact O-N 3.06Å; V148-K150 VanDerWaalsContact O-N 3.09Å
149	A	41.2	Very low	45.3	Very low	81 Å²	81	129.8 Å²	129.8	67%	0.669	70%	0.699	S	S	*	*			trans	-60.2	113.8	170.4	0	0	0	0	0	107.3	V147 L151	V147-A149 PolarHBondContact O-N 2.97Å; A149-L151 PolarHBondContact O-N 2.82Å
150	K	49.1	Very low	46.6	Very low	189 Å²	189	130.1 Å²	130.1	82%	0.822	69%	0.692	S	S	*	*			trans	-55.6	123.8	164.5	-78.1	-178.4	174.7	177.7	0	106.5	V148 T152	V148-K150 PolarHBondContact O-N 3.06Å; V148-K150 VanDerWaalsContact O-N 3.09Å; K150-T152 PolarHBondContact O-N 2.73Å
151	L	46.3	Very low	48	Very low	132 Å²	132	129.5 Å²	129.5	69%	0.691	68%	0.678	S	S	*	*			trans	-45.3	116.4	170.8	-78.9	156.8	0	0	0	108.3	A149 D155 I156	A149-L151 PolarHBondContact O-N 2.82Å; L151-D155 HydrophobicContact CD2-CB 4.1Å; L151-I156 HydrophobicContact CB-CD1 4.39Å; L151-I156 HydrophobicContact CB-CG1 4.22Å
152	T	69.1	Low	49.1	Very low	61 Å²	61	121.5 Å²	121.5	37%	0.374	66%	0.663	S	S	.	*			trans	-72.6	155.7	178.3	64.9	0	0	0	0	108.9	K150 E154 D155 I156	K150-T152 PolarHBondContact O-N 2.73Å; T152-E154 PolarHBondContact O-N 3.5Å; T152-E154 VanDerWaalsContact O-N 3.11Å; T152-D155 WeakPolarHBondContact CB-OD2 3.31Å; T152-D155 PolarHBondContact N-OD2 3.24Å; T152-D155 VanDerWaalsContact N-OD2 3.12Å; T152-D155 PolarHBondContact O-N 2.75Å; T152-D155 PolarHBondContact OG1-N 3.04Å; T152-D155 VanDerWaalsContact OG1-N 3.15Å; T152-D155 PolarHBondContact OG1-OD2 3.32Å; T152-I156 PolarHBondContact O-N 2.84Å; T152-I156 VanDerWaalsContact O-N 3.11Å
153	P	61.3	Low	50	Low	110 Å²	110	124.3 Å²	124.3	71%	0.714	66%	0.661	S	S	*	*	H	α-helix	trans	-53.6	-29.5	172	-25.1	34.3	0	0	0	112.4	K157	P153-K157 VanDerWaalsContact O-CB 3.3Å; P153-K157 WeakPolarHBondContact O-CB 3.3Å; P153-K157 PolarHBondContact O-N 3.45Å
154	E	59.8	Low	50.7	Low	153 Å²	153	124.7 Å²	124.7	72%	0.715	65%	0.654	S	S	*	*	H	α-helix	trans	-71.4	-39.3	175.6	-62.1	-167.1	169.3	0	0	112.6	T152 I156 K157 K158	T152-E154 PolarHBondContact O-N 3.5Å; T152-E154 VanDerWaalsContact O-N 3.11Å; E154-I156 VanDerWaalsContact C-N 3.33Å; E154-I156 PolarHBondContact O-N 3.09Å; E154-K157 PolarHBondContact O-N 3.38Å; E154-K158 WeakPolarHBondContact O-CB 3.42Å; E154-K158 PolarHBondContact O-N 2.88Å
155	D	68.4	Low	51.1	Low	75 Å²	75	119 Å²	119	40%	0.401	65%	0.645	S	S	.	*	H	α-helix	trans	-66.5	-36.6	174.8	-61.6	-48.2	0	0	0	111.9	L151 T152 A159	L151-D155 HydrophobicContact CD2-CB 4.1Å; T152-D155 WeakPolarHBondContact CB-OD2 3.31Å; T152-D155 PolarHBondContact N-OD2 3.24Å; T152-D155 VanDerWaalsContact N-OD2 3.12Å; T152-D155 PolarHBondContact O-N 2.75Å; T152-D155 PolarHBondContact OG1-N 3.04Å; T152-D155 VanDerWaalsContact OG1-N 3.15Å; T152-D155 PolarHBondContact OG1-OD2 3.32Å; D155-A159 VanDerWaalsContact O-CB 3.22Å; D155-A159 WeakPolarHBondContact O-CB 3.16Å; D155-A159 PolarHBondContact O-N 3.36Å
156	I	68.4	Low	51.2	Low	86 Å²	86	120.1 Å²	120.1	44%	0.441	65%	0.645	S	S	.	*	H	α-helix	trans	-67.7	-39.4	174.3	-62.2	170.9	0	0	0	110.3	L151 T152 E154 A159 R160	L151-I156 HydrophobicContact CB-CD1 4.39Å; L151-I156 HydrophobicContact CB-CG1 4.22Å; T152-I156 PolarHBondContact O-N 2.84Å; T152-I156 VanDerWaalsContact O-N 3.11Å; E154-I156 VanDerWaalsContact C-N 3.33Å; E154-I156 PolarHBondContact O-N 3.09Å; I156-A159 PolarHBondContact O-N 3.09Å; I156-R160 WeakPolarHBondContact O-CB 3.39Å; I156-R160 PolarHBondContact O-N 3.42Å
157	K	62.9	Low	51.3	Low	131 Å²	131	117.5 Å²	117.5	57%	0.57	64%	0.637	S	S	*	*	H	α-helix	trans	-65.9	-45.6	175	-172.3	178.8	175.4	-174.1	0	111.2	P153 E154 A159 R160 E161	P153-K157 VanDerWaalsContact O-CB 3.3Å; P153-K157 WeakPolarHBondContact O-CB 3.3Å; P153-K157 PolarHBondContact O-N 3.45Å; E154-K157 PolarHBondContact O-N 3.38Å; K157-A159 VanDerWaalsContact C-N 3.33Å; K157-A159 PolarHBondContact O-N 3.42Å; K157-R160 CarbonylContact O-C 3.53Å; K157-R160 WeakPolarHBondContact O-CB 3.4Å; K157-R160 PolarHBondContact O-N 3.28Å; K157-R160 VanDerWaalsContact O-N 3.13Å; K157-E161 WeakPolarHBondContact CE-OE1 3.38Å; K157-E161 WeakPolarHBondContact CG-OE1 3.44Å; K157-E161 WeakPolarHBondContact O-CB 3.27Å; K157-E161 VanDerWaalsContact O-CG 3.32Å; K157-E161 WeakPolarHBondContact O-CG 3.46Å; K157-E161 PolarHBondContact O-N 3.2Å
158	K	68.1	Low	51.8	Low	150 Å²	150	120.4 Å²	120.4	65%	0.652	64%	0.638	S	S	*	*	H	α-helix	trans	-63.7	-36.8	175.9	-135.6	175.8	-171.9	175.3	0	112.2	E154 A162	E154-K158 WeakPolarHBondContact O-CB 3.42Å; E154-K158 PolarHBondContact O-N 2.88Å; K158-A162 WeakPolarHBondContact O-CB 3.36Å; K158-A162 PolarHBondContact O-N 2.84Å
159	A	59.3	Low	51.9	Low	59 Å²	59	116 Å²	116	49%	0.488	61%	0.612	S	S	.	*	H	α-helix	trans	-70.8	-32.6	173.9	0	0	0	0	0	112.7	D155 I156 K157 K163	D155-A159 VanDerWaalsContact O-CB 3.22Å; D155-A159 WeakPolarHBondContact O-CB 3.16Å; D155-A159 PolarHBondContact O-N 3.36Å; I156-A159 PolarHBondContact O-N 3.09Å; K157-A159 VanDerWaalsContact C-N 3.33Å; K157-A159 PolarHBondContact O-N 3.42Å; A159-K163 WeakPolarHBondContact O-CB 3.36Å; A159-K163 PolarHBondContact O-N 3.01Å; A159-K163 VanDerWaalsContact O-N 3.09Å
160	R	53.5	Low	52.3	Low	183 Å²	183	117.7 Å²	117.7	69%	0.691	61%	0.614	S	S	*	*	H	α-helix	trans	-69.4	-44.6	170.5	-86.5	-177.1	170.2	-177.3	-3.2	111.8	I156 K157 K163 Q164	I156-R160 WeakPolarHBondContact O-CB 3.39Å; I156-R160 PolarHBondContact O-N 3.42Å; K157-R160 CarbonylContact O-C 3.53Å; K157-R160 WeakPolarHBondContact O-CB 3.4Å; K157-R160 PolarHBondContact O-N 3.28Å; K157-R160 VanDerWaalsContact O-N 3.13Å; R160-K163 PolarHBondContact O-N 3.16Å; R160-Q164 WeakPolarHBondContact O-CB 3.39Å; R160-Q164 WeakPolarHBondContact O-CG 3.47Å; R160-Q164 PolarHBondContact O-N 3.38Å
161	E	54.2	Low	52.9	Low	95 Å²	95	111.8 Å²	111.8	44%	0.444	59%	0.587	S	S	.	*	H	α-helix	trans	-64.6	-39.6	176.3	-71.8	168.8	179.3	0	0	111.3	K157 K163 Q164 G165	K157-E161 WeakPolarHBondContact CE-OE1 3.38Å; K157-E161 WeakPolarHBondContact CG-OE1 3.44Å; K157-E161 WeakPolarHBondContact O-CB 3.27Å; K157-E161 VanDerWaalsContact O-CG 3.32Å; K157-E161 WeakPolarHBondContact O-CG 3.46Å; K157-E161 PolarHBondContact O-N 3.2Å; E161-K163 VanDerWaalsContact C-N 3.35Å; E161-K163 PolarHBondContact O-N 2.89Å; E161-Q164 PolarHBondContact O-N 2.85Å; E161-G165 PolarHBondContact O-N 2.88Å
162	A	47.5	Very low	53.8	Low	72 Å²	72	109.8 Å²	109.8	60%	0.595	57%	0.574	S	S	*	*	H	α-helix	trans	-68.6	-29.7	174.5	0	0	0	0	0	113.3	K158	K158-A162 WeakPolarHBondContact O-CB 3.36Å; K158-A162 PolarHBondContact O-N 2.84Å
163	K	46.9	Very low	53.6	Low	173 Å²	173	115.5 Å²	115.5	75%	0.752	59%	0.594	S	S	*	*	H	α-helix	trans	-75.6	-35.5	169.4	-95.1	-170.7	173.1	-175.6	0	112.6	A159 R160 E161 G165 Q166 A167	A159-K163 WeakPolarHBondContact O-CB 3.36Å; A159-K163 PolarHBondContact O-N 3.01Å; A159-K163 VanDerWaalsContact O-N 3.09Å; R160-K163 PolarHBondContact O-N 3.16Å; E161-K163 VanDerWaalsContact C-N 3.35Å; E161-K163 PolarHBondContact O-N 2.89Å; K163-G165 VanDerWaalsContact C-N 3.3Å; K163-Q166 PolarHBondContact O-N 3.37Å; K163-A167 PolarHBondContact O-N 3.41Å
164	Q	42.6	Very low	54	Low	139 Å²	139	112 Å²	112	65%	0.65	57%	0.569	S	S	*	*	H	α-helix	trans	-66.4	-31.8	175.7	-81.5	174.5	-26.9	0	0	111.9	R160 E161 Q166	R160-Q164 WeakPolarHBondContact O-CB 3.39Å; R160-Q164 WeakPolarHBondContact O-CG 3.47Å; R160-Q164 PolarHBondContact O-N 3.38Å; E161-Q164 PolarHBondContact O-N 2.85Å; Q164-Q166 PolarHBondContact O-N 2.9Å
165	G	35.9	Very low	54.3	Low	64 Å²	64	106.9 Å²	106.9	66%	0.66	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-4.9	176.8	0	0	0	0	0	116.5	E161 K163	E161-G165 PolarHBondContact O-N 2.88Å; K163-G165 VanDerWaalsContact C-N 3.3Å
166	Q	34.6	Very low	54.1	Low	174 Å²	174	113.1 Å²	113.1	81%	0.813	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-142.2	15.7	-177	-74.1	-167.4	-8.9	0	0	115.1	K163 Q164 K168	K163-Q166 PolarHBondContact O-N 3.37Å; Q164-Q166 PolarHBondContact O-N 2.9Å; Q166-K168 PolarHBondContact O-N 2.82Å
167	A	35.8	Very low	53.9	Low	72 Å²	72	118.9 Å²	118.9	60%	0.595	59%	0.593	S	S	*	*			trans	-74.3	94.7	167.2	0	0	0	0	0	108.5	K163	K163-A167 PolarHBondContact O-N 3.41Å
168	K	41.8	Very low	54.3	Low	192 Å²	192	113.7 Å²	113.7	84%	0.835	57%	0.574	S	S	*	*			trans	-54.2	132.7	165.9	-83.9	-176.8	177.3	-179.7	0	107.7	Q166 V170	Q166-K168 PolarHBondContact O-N 2.82Å; K168-V170 PolarHBondContact O-N 3.21Å
169	P	44.2	Very low	54.7	Low	44 Å²	44	112.6 Å²	112.6	29%	0.286	57%	0.569	S	S	.	*			trans	-55.5	136.6	-174.4	20.8	-31.8	0	0	0	110.1	R171 Q428	P169-R171 HydrophobicContact CG-CG 4.49Å; P169-R171 PolarHBondContact O-N 2.82Å; P169-Q428 HydrophobicContact CB-CG 4.13Å
170	V	49.7	Very low	55.8	Low	117 Å²	117	115 Å²	115	71%	0.709	57%	0.571	S	S	*	*			trans	-70.8	87.2	173.1	-178.4	0	0	0	0	107.2	K168	K168-V170 PolarHBondContact O-N 3.21Å
171	R	61	Low	57.3	Low	66 Å²	66	110.8 Å²	110.8	25%	0.249	56%	0.555	C	S	.	*			trans	-72.7	143.1	172.6	-64.4	-178.6	-179.7	-179.7	-2.3	108.5	P169 K173 E311 H325 E333	P169-R171 HydrophobicContact CG-CG 4.49Å; P169-R171 PolarHBondContact O-N 2.82Å; R171-K173 PolarHBondContact O-N 3.11Å; R171-E311 IonicContact NH1-OE1 3.77Å; R171-E311 PolarHBondContact NH1-OE1 3.1Å; R171-H325 PolarHBondContact NH1-ND1 3.49Å; R171-H325 PolarHBondContact NH2-CE1 2.97Å; R171-H325 PolarHBondContact NH2-NE2 2.95Å; R171-E333 IonicContact NH2-OE1 3.71Å; R171-E333 PolarHBondContact NH2-OE1 3.42Å; R171-E333 IonicContact NH2-OE2 3.61Å
172	Q	64	Low	58.8	Low	89 Å²	89	112.6 Å²	112.6	42%	0.416	56%	0.561	S	S	.	*			trans	-54.2	133.7	163.8	-163.6	174.6	20.7	0	0	107.8	F315 A316	Q172-F315 HydrophobicContact CB-CD2 4.25Å; Q172-F315 HydrophobicContact CB-CE2 4.36Å; Q172-F315 VanDerWaalsContact O-CD2 3.32Å; Q172-F315 WeakPolarHBondContact O-CD2 3.46Å; Q172-F315 VanDerWaalsContact O-O 3.12Å; Q172-A316 HydrophobicContact CB-CB 4.38Å; Q172-A316 HydrophobicContact CG-CB 4.22Å
173	K	65.9	Low	60.5	Low	182 Å²	182	109.2 Å²	109.2	79%	0.791	53%	0.533	S	S	*	.			trans	-113.6	141.7	178.9	-68.6	-177.3	-177.6	176.1	0	108.7	R171 F315	R171-K173 PolarHBondContact O-N 3.11Å; K173-F315 CarbonylContact C-O 3.52Å; K173-F315 VanDerWaalsContact C-O 3.24Å; K173-F315 WeakPolarHBondContact CA-O 3.43Å
174	L	69	Low	62.3	Low	36 Å²	36	101.3 Å²	101.3	19%	0.188	50%	0.499	C	S	.	.			trans	-52.9	145.5	166.5	-69.3	177.5	0	0	0	109.1	A178 F285 P314 F315 A317	L174-A178 HydrophobicContact CB-CB 4.13Å; L174-F285 HydrophobicContact CD1-CD1 3.78Å; L174-F285 HydrophobicContact CD1-CE1 4.11Å; L174-F285 HydrophobicContact CD1-CG 4.45Å; L174-P314 HydrophobicContact CD1-CG 4.33Å; L174-P314 WeakPolarHBondContact CD1-O 3.3Å; L174-F315 PolarHBondContact N-O 2.85Å; L174-A317 HydrophobicContact CD2-CB 3.97Å
175	S	67.7	Low	64.2	Low	46 Å²	46	97.3 Å²	97.3	32%	0.322	49%	0.487	S	S	.	.			trans	-57.1	147.1	173.5	73	0	0	0	0	110.1	R177 A178	S175-R177 PolarHBondContact O-N 2.97Å; S175-A178 WeakPolarHBondContact O-CB 3.5Å; S175-A178 PolarHBondContact O-N 3.19Å; S175-A178 PolarHBondContact OG-N 2.93Å
176	E	63.3	Low	66.5	Low	206 Å²	206	98 Å²	98	96%	0.963	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-16.6	177	-63.8	-174.5	165.3	0	0	112.9
177	R	65	Low	68.8	Low	207 Å²	207	97.2 Å²	97.2	78%	0.781	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-8.3	179.6	-63.5	-177.7	177.7	-177.8	-0.9	113.7	S175 K179	S175-R177 PolarHBondContact O-N 2.97Å; R177-K179 PolarHBondContact O-N 3.44Å
178	A	69.9	Low	71	Confident	22 Å²	22	100 Å²	100	18%	0.182	47%	0.471	C	S	.	.			trans	-64.9	126.7	-177.1	0	0	0	0	0	111.1	L174 S175 A283 F285	L174-A178 HydrophobicContact CB-CB 4.13Å; S175-A178 WeakPolarHBondContact O-CB 3.5Å; S175-A178 PolarHBondContact O-N 3.19Å; S175-A178 PolarHBondContact OG-N 2.93Å; A178-A283 WeakPolarHBondContact CB-O 3.27Å; A178-F285 HydrophobicContact CB-CD1 4.49Å
179	K	76.9	Confident	72.9	Confident	126 Å²	126	93.1 Å²	93.1	55%	0.548	45%	0.448	S	S	.	.			trans	-114.4	151.3	179.3	-66.6	176.6	-175.8	-179.9	0	110.7	R177 R181 D284 F285	R177-K179 PolarHBondContact O-N 3.44Å; K179-R181 HydrophobicContact CB-CG 4.43Å; K179-R181 PolarHBondContact O-N 3.09Å; K179-D284 PolarHBondContact N-OD1 3.2Å; K179-D284 WeakPolarHBondContact O-CA 3.43Å; K179-D284 WeakPolarHBondContact O-CB 3.38Å; K179-F285 PolarHBondContact O-N 2.87Å; K179-F285 VanDerWaalsContact O-N 3.16Å
180	E	83.3	Confident	74.7	Confident	111 Å²	111	91 Å²	91	52%	0.519	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-71.4	120.6	168.5	-170.2	-179.5	162.3	0	0	109.1	F285 P287	E180-F285 HydrophobicContact CB-CD2 4.22Å; E180-F285 HydrophobicContact CB-CE1 4.4Å; E180-F285 HydrophobicContact CB-CE2 3.52Å; E180-F285 HydrophobicContact CB-CZ 3.63Å; E180-F285 HydrophobicContact CG-CD2 4.15Å; E180-F285 HydrophobicContact CG-CE2 3.69Å; E180-F285 HydrophobicContact CG-CZ 4.32Å; E180-P287 HydrophobicContact CG-CB 4.38Å; E180-P287 HydrophobicContact CG-CG 4.06Å; E180-P287 WeakPolarHBondContact OE1-CA 3.45Å; E180-P287 WeakPolarHBondContact OE1-CB 3.38Å
181	R	83.6	Confident	76.3	Confident	93 Å²	93	89.9 Å²	89.9	35%	0.351	42%	0.424	S	S	.	.			trans	-143.8	139	178	-67.6	-162.6	179	152.9	-14.2	111.9	K179 V183 R250 D284 F285 P287	K179-R181 HydrophobicContact CB-CG 4.43Å; K179-R181 PolarHBondContact O-N 3.09Å; R181-V183 PolarHBondContact O-N 2.99Å; R181-R250 PolarHBondContact O-NH1 3.33Å; R181-R250 PolarHBondContact O-NH2 2.82Å; R181-D284 HydrophobicContact CB-CB 4.28Å; R181-D284 WeakPolarHBondContact CD-OD2 3.3Å; R181-D284 HydrophobicContact CG-CB 4.38Å; R181-D284 IonicContact CZ-OD2 3.94Å; R181-D284 IonicContact NE-OD2 3.68Å; R181-D284 PolarHBondContact NE-OD2 2.83Å; R181-D284 IonicContact NH1-OD2 2.87Å; R181-D284 PolarHBondContact NH1-OD2 3Å; R181-F285 PolarHBondContact N-O 3.14Å; R181-P287 WeakPolarHBondContact O-CD 3.42Å
182	K	86.4	Confident	77.4	Confident	134 Å²	134	91.7 Å²	91.7	58%	0.583	44%	0.441	S	S	*	.			trans	-62.5	130.6	175.4	-176.3	177.8	179	175.9	0	111.3	R250 W289	K182-R250 PolarHBondContact O-NH2 3.25Å; K182-W289 HydrophobicContact CD-CZ2 4.03Å; K182-W289 HydrophobicContact CG-CZ2 4.14Å
183	V	84.1	Confident	78.4	Confident	0 Å²	0	88.4 Å²	88.4	0%	0	43%	0.427	C	S	.	.			trans	-81.2	129.8	171.9	-170	0	0	0	0	108.6	R181 S185 R250 M286 Q290 Y340 P341	R181-V183 PolarHBondContact O-N 2.99Å; V183-S185 PolarHBondContact O-N 3.19Å; V183-R250 VanDerWaalsContact CA-NH2 3.26Å; V183-R250 VanDerWaalsContact N-NH2 3.14Å; V183-M286 HydrophobicContact CG2-CB 3.72Å; V183-Q290 PolarHBondContact O-NE2 3.42Å; V183-Y340 HydrophobicContact CG1-CG 4.49Å; V183-Y340 HydrophobicContact CG2-CD1 3.52Å; V183-Y340 HydrophobicContact CG2-CE1 4.15Å; V183-Y340 HydrophobicContact CG2-CG 3.82Å; V183-P341 HydrophobicContact CB-CG 4.49Å
184	P	84.8	Confident	79.2	Confident	7 Å²	7	80 Å²	80	5%	0.045	39%	0.39	C	S	.	.			trans	-66.4	113.3	169.4	28	-32.9	0	0	0	110.3	S189 R190 K248	P184-S189 WeakPolarHBondContact CB-OG 3.37Å; P184-R190 HydrophobicContact CB-CG 3.88Å; P184-R190 HydrophobicContact CG-CG 3.91Å; P184-R190 PolarHBondContact O-NE 2.9Å; P184-R190 PolarHBondContact O-NH2 2.81Å; P184-K248 WeakPolarHBondContact CD-O 3.37Å
185	S	82.4	Confident	79.7	Confident	56 Å²	56	80 Å²	80	39%	0.392	40%	0.4	S	S	.	.			trans	-92.6	-10.7	-176.5	60.5	0	0	0	0	114.2	V183	V183-S185 PolarHBondContact O-N 3.19Å
186	T	84.4	Confident	80.4	Confident	78 Å²	78	80.1 Å²	80.1	48%	0.479	41%	0.408	S	S	.	.	S	Bend	trans	-113.7	148.5	-177.3	67.4	0	0	0	0	111.7	I188 S189 R190	T186-I188 VanDerWaalsContact C-N 3.3Å; T186-I188 PolarHBondContact O-N 3.26Å; T186-S189 PolarHBondContact O-N 2.95Å; T186-S189 VanDerWaalsContact O-N 3.12Å; T186-S189 VanDerWaalsContact OG1-CB 3.24Å; T186-S189 WeakPolarHBondContact OG1-CB 3.34Å; T186-S189 PolarHBondContact OG1-N 3.46Å; T186-R190 WeakPolarHBondContact O-CG 3.46Å; T186-R190 PolarHBondContact O-N 2.86Å
187	R	81	Confident	81.3	Confident	157 Å²	157	70.6 Å²	70.6	59%	0.592	36%	0.363	S	S	*	.	H	α-helix	trans	-55.1	-43.5	178.4	-67	-176.7	-179.1	175.8	0.9	112.5	S189 R190 L191 E345	R187-S189 PolarHBondContact O-N 3.34Å; R187-R190 PolarHBondContact O-N 2.84Å; R187-L191 WeakPolarHBondContact O-CB 3.5Å; R187-L191 PolarHBondContact O-N 3.37Å; R187-E345 PolarHBondContact NE-O 3.26Å; R187-E345 PolarHBondContact NH2-O 3.11Å
188	I	81.8	Confident	82	Confident	131 Å²	131	62 Å²	62	67%	0.672	34%	0.337	S	S	*	.	H	α-helix	trans	-62.7	-45.3	177.9	-60	170.7	0	0	0	110.8	T186 R190 L191 V192	T186-I188 VanDerWaalsContact C-N 3.3Å; T186-I188 PolarHBondContact O-N 3.26Å; I188-R190 VanDerWaalsContact C-N 3.28Å; I188-R190 PolarHBondContact O-N 3.02Å; I188-L191 PolarHBondContact O-N 3.14Å; I188-V192 WeakPolarHBondContact O-CG2 3.19Å; I188-V192 PolarHBondContact O-N 3.49Å; I188-V192 VanDerWaalsContact O-N 3.07Å
189	S	82.9	Confident	82.5	Confident	48 Å²	48	65.4 Å²	65.4	34%	0.336	36%	0.355	S	S	.	.	H	α-helix	trans	-62.9	-37.5	178.7	-174.3	0	0	0	0	111.6	P184 T186 R187 N193	P184-S189 WeakPolarHBondContact CB-OG 3.37Å; T186-S189 PolarHBondContact O-N 2.95Å; T186-S189 VanDerWaalsContact O-N 3.12Å; T186-S189 VanDerWaalsContact OG1-CB 3.24Å; T186-S189 WeakPolarHBondContact OG1-CB 3.34Å; T186-S189 PolarHBondContact OG1-N 3.46Å; R187-S189 PolarHBondContact O-N 3.34Å; S189-N193 PolarHBondContact O-ND2 2.79Å
190	R	82.8	Confident	82.7	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-66.7	-45.6	174.6	-66.9	-174.8	-176.5	-136.6	3.8	111.9	P184 T186 R187 I188 V192 N193 F194 V249 G342 S346 D350	P184-R190 HydrophobicContact CB-CG 3.88Å; P184-R190 HydrophobicContact CG-CG 3.91Å; P184-R190 PolarHBondContact O-NE 2.9Å; P184-R190 PolarHBondContact O-NH2 2.81Å; T186-R190 WeakPolarHBondContact O-CG 3.46Å; T186-R190 PolarHBondContact O-N 2.86Å; R187-R190 PolarHBondContact O-N 2.84Å; I188-R190 VanDerWaalsContact C-N 3.28Å; I188-R190 PolarHBondContact O-N 3.02Å; R190-V192 VanDerWaalsContact C-N 3.29Å; R190-V192 PolarHBondContact O-N 2.74Å; R190-N193 WeakPolarHBondContact O-CB 3.4Å; R190-N193 PolarHBondContact O-N 3.33Å; R190-F194 WeakPolarHBondContact O-CD2 3.28Å; R190-F194 PolarHBondContact O-N 3.33Å; R190-V249 HydrophobicContact CG-CG1 4.24Å; R190-G342 PolarHBondContact NH2-O 2.86Å; R190-S346 PolarHBondContact NH1-OG 2.87Å; R190-D350 VanDerWaalsContact CD-OD1 3.25Å; R190-D350 WeakPolarHBondContact CD-OD1 3.46Å; R190-D350 IonicContact CZ-OD2 4Å; R190-D350 IonicContact NH1-OD2 2.8Å; R190-D350 PolarHBondContact NH1-OD2 3.37Å
191	L	82.6	Confident	82.4	Confident	93 Å²	93	55.3 Å²	55.3	49%	0.487	31%	0.314	S	S	.	.	H	α-helix	trans	-55.3	-42.6	176.7	-176.8	66.6	0	0	0	112.3	R187 I188 N193 F194 G195 N353	R187-L191 WeakPolarHBondContact O-CB 3.5Å; R187-L191 PolarHBondContact O-N 3.37Å; I188-L191 PolarHBondContact O-N 3.14Å; L191-N193 VanDerWaalsContact C-N 3.27Å; L191-N193 PolarHBondContact O-N 2.91Å; L191-F194 PolarHBondContact O-N 3.22Å; L191-G195 PolarHBondContact O-N 2.98Å; L191-N353 VanDerWaalsContact CD1-OD1 3.25Å; L191-N353 WeakPolarHBondContact CD1-OD1 3.47Å
192	V	84.6	Confident	82	Confident	103 Å²	103	52 Å²	52	62%	0.624	31%	0.31	S	S	*	.	H	α-helix	trans	-59.6	-36.7	176.8	171.3	0	0	0	0	112.2	I188 R190 G196	I188-V192 WeakPolarHBondContact O-CG2 3.19Å; I188-V192 PolarHBondContact O-N 3.49Å; I188-V192 VanDerWaalsContact O-N 3.07Å; R190-V192 VanDerWaalsContact C-N 3.29Å; R190-V192 PolarHBondContact O-N 2.74Å; V192-G196 PolarHBondContact O-N 3.29Å
193	N	84.7	Confident	81.5	Confident	21 Å²	21	50.7 Å²	50.7	11%	0.112	31%	0.308	C	S	.	.	H	α-helix	trans	-68.6	-41.2	177.4	-71.2	-75.3	0	0	0	111.7	S189 R190 L191 G196 L197 T245 K248 V249	S189-N193 PolarHBondContact O-ND2 2.79Å; R190-N193 WeakPolarHBondContact O-CB 3.4Å; R190-N193 PolarHBondContact O-N 3.33Å; L191-N193 VanDerWaalsContact C-N 3.27Å; L191-N193 PolarHBondContact O-N 2.91Å; N193-G196 PolarHBondContact O-N 3.2Å; N193-L197 PolarHBondContact O-N 2.92Å; N193-T245 HydrophobicContact CB-CG2 4.43Å; N193-K248 VanDerWaalsContact OD1-CD 3.3Å; N193-K248 WeakPolarHBondContact OD1-CD 3.4Å; N193-K248 WeakPolarHBondContact OD1-CE 3.3Å; N193-K248 PolarHBondContact OD1-NZ 2.91Å; N193-V249 HydrophobicContact CB-CG2 3.78Å
194	F	81.5	Confident	81	Confident	5 Å²	5	51 Å²	51	2%	0.022	31%	0.311	C	S	.	.	H	α-helix	trans	-69.9	-38.4	175.8	-76.4	-75.7	0	0	0	112.8	R190 L191 G196 L197 A198 V249 A253 N353 L354 V357	R190-F194 WeakPolarHBondContact O-CD2 3.28Å; R190-F194 PolarHBondContact O-N 3.33Å; L191-F194 PolarHBondContact O-N 3.22Å; F194-G196 VanDerWaalsContact C-N 3.34Å; F194-G196 PolarHBondContact O-N 3.02Å; F194-L197 WeakPolarHBondContact O-CB 3.47Å; F194-L197 PolarHBondContact O-N 3.16Å; F194-L197 VanDerWaalsContact O-N 3.15Å; F194-A198 PolarHBondContact O-N 3.47Å; F194-V249 HydrophobicContact CE2-CG1 4.1Å; F194-V249 HydrophobicContact CE2-CG2 4.21Å; F194-V249 HydrophobicContact CZ-CG1 4.48Å; F194-A253 HydrophobicContact CZ-CB 3.97Å; F194-N353 HydrophobicContact CB-CB 3.94Å; F194-N353 HydrophobicContact CD1-CB 3.97Å; F194-N353 HydrophobicContact CD2-CB 3.56Å; F194-N353 HydrophobicContact CE1-CB 4.33Å; F194-N353 HydrophobicContact CE2-CB 3.95Å; F194-N353 HydrophobicContact CG-CB 3.56Å; F194-N353 HydrophobicContact CZ-CB 4.31Å; F194-L354 HydrophobicContact CE1-CB 4.19Å; F194-L354 HydrophobicContact CE1-CD1 4.48Å; F194-V357 HydrophobicContact CD1-CG2 4.3Å
195	G	80.5	Confident	80.4	Confident	37 Å²	37	50.9 Å²	50.9	38%	0.381	31%	0.311	S	S	.	.	H	α-helix	trans	-60.4	-43.6	172.5	0	0	0	0	0	111.9	L191 L197 A198 V199	L191-G195 PolarHBondContact O-N 2.98Å; G195-L197 VanDerWaalsContact C-N 3.31Å; G195-L197 PolarHBondContact O-N 2.96Å; G195-A198 PolarHBondContact O-N 3.26Å; G195-V199 WeakPolarHBondContact O-CG2 3.49Å; G195-V199 PolarHBondContact O-N 3.39Å; G195-V199 VanDerWaalsContact O-N 3.1Å
196	G	82.5	Confident	80.1	Confident	48 Å²	48	54.1 Å²	54.1	50%	0.495	32%	0.322	S	S	.	.	H	α-helix	trans	-60.6	-37.9	172.8	0	0	0	0	0	113.3	V192 N193 F194 G200	V192-G196 PolarHBondContact O-N 3.29Å; N193-G196 PolarHBondContact O-N 3.2Å; F194-G196 VanDerWaalsContact C-N 3.34Å; F194-G196 PolarHBondContact O-N 3.02Å; G196-G200 PolarHBondContact O-N 3.13Å
197	L	82.1	Confident	79.5	Confident	6 Å²	6	53 Å²	53	3%	0.031	32%	0.322	C	S	.	.	H	α-helix	trans	-63.9	-48.8	173.9	176.4	61.7	0	0	0	111.6	N193 F194 G195 V199 G200 L201 R241 I242 T245 V357	N193-L197 PolarHBondContact O-N 2.92Å; F194-L197 WeakPolarHBondContact O-CB 3.47Å; F194-L197 PolarHBondContact O-N 3.16Å; F194-L197 VanDerWaalsContact O-N 3.15Å; G195-L197 VanDerWaalsContact C-N 3.31Å; G195-L197 PolarHBondContact O-N 2.96Å; L197-V199 VanDerWaalsContact C-N 3.34Å; L197-V199 PolarHBondContact O-N 2.73Å; L197-G200 PolarHBondContact O-N 3.01Å; L197-G200 VanDerWaalsContact O-N 3.12Å; L197-L201 HydrophobicContact CD1-CD1 4.02Å; L197-L201 HydrophobicContact CD1-CD2 4.34Å; L197-L201 HydrophobicContact CD1-CG 3.93Å; L197-L201 HydrophobicContact CG-CD1 3.98Å; L197-L201 HydrophobicContact CG-CG 4.3Å; L197-L201 VanDerWaalsContact O-CG 3.32Å; L197-L201 WeakPolarHBondContact O-CG 3.25Å; L197-L201 PolarHBondContact O-N 2.82Å; L197-R241 HydrophobicContact CD1-CB 3.92Å; L197-I242 HydrophobicContact CD1-CG1 4.05Å; L197-I242 HydrophobicContact CD2-CG1 4.43Å; L197-T245 HydrophobicContact CB-CG2 4.06Å; L197-T245 HydrophobicContact CD2-CG2 3.95Å; L197-V357 HydrophobicContact CD2-CG1 3.8Å; L197-V357 HydrophobicContact CD2-CG2 4.38Å; L197-V357 HydrophobicContact CG-CG1 4.16Å
198	A	79.1	Confident	79	Confident	27 Å²	27	48 Å²	48	22%	0.223	30%	0.304	C	S	.	.	H	α-helix	trans	-58.4	-45.1	-179.3	0	0	0	0	0	111.8	F194 G195 L201 G202	F194-A198 PolarHBondContact O-N 3.47Å; G195-A198 PolarHBondContact O-N 3.26Å; A198-L201 PolarHBondContact O-N 3.28Å; A198-G202 PolarHBondContact O-N 3.5Å
199	V	81.8	Confident	78.6	Confident	93 Å²	93	45.4 Å²	45.4	56%	0.564	30%	0.295	S	S	*	.	H	α-helix	trans	-62	-46	174.3	174	0	0	0	0	111.1	G195 L197 L201 G202 I203	G195-V199 WeakPolarHBondContact O-CG2 3.49Å; G195-V199 PolarHBondContact O-N 3.39Å; G195-V199 VanDerWaalsContact O-N 3.1Å; L197-V199 VanDerWaalsContact C-N 3.34Å; L197-V199 PolarHBondContact O-N 2.73Å; V199-L201 VanDerWaalsContact C-N 3.32Å; V199-L201 PolarHBondContact O-N 3.17Å; V199-G202 PolarHBondContact O-N 3.07Å; V199-I203 HydrophobicContact CG1-CD1 3.86Å; V199-I203 HydrophobicContact CG1-CG1 4.47Å; V199-I203 WeakPolarHBondContact O-CG1 3.49Å; V199-I203 PolarHBondContact O-N 2.94Å
200	G	79.3	Confident	78.2	Confident	17 Å²	17	45.3 Å²	45.3	18%	0.175	30%	0.297	C	S	.	.	H	α-helix	trans	-62	-36.9	179.3	0	0	0	0	0	113.5	G196 L197 G204 R241	G196-G200 PolarHBondContact O-N 3.13Å; L197-G200 PolarHBondContact O-N 3.01Å; L197-G200 VanDerWaalsContact O-N 3.12Å; G200-G204 PolarHBondContact O-N 2.82Å; G200-R241 PolarHBondContact O-NH1 2.83Å
201	L	78.3	Confident	77.7	Confident	7 Å²	7	51.9 Å²	51.9	4%	0.037	33%	0.325	C	S	.	.	H	α-helix	trans	-68.9	-43.7	174.5	-69.3	175.3	0	0	0	111.5	L197 A198 V199 G204 A205 N238 I242 V357	L197-L201 HydrophobicContact CD1-CD1 4.02Å; L197-L201 HydrophobicContact CD1-CD2 4.34Å; L197-L201 HydrophobicContact CD1-CG 3.93Å; L197-L201 HydrophobicContact CG-CD1 3.98Å; L197-L201 HydrophobicContact CG-CG 4.3Å; L197-L201 VanDerWaalsContact O-CG 3.32Å; L197-L201 WeakPolarHBondContact O-CG 3.25Å; L197-L201 PolarHBondContact O-N 2.82Å; A198-L201 PolarHBondContact O-N 3.28Å; V199-L201 VanDerWaalsContact C-N 3.32Å; V199-L201 PolarHBondContact O-N 3.17Å; L201-G204 PolarHBondContact O-N 3.07Å; L201-A205 WeakPolarHBondContact O-CB 3.49Å; L201-A205 PolarHBondContact O-N 3.31Å; L201-N238 HydrophobicContact CD2-CB 3.46Å; L201-N238 VanDerWaalsContact CD2-CB 3.46Å; L201-I242 HydrophobicContact CD1-CD1 4.45Å; L201-I242 HydrophobicContact CD1-CG1 4.28Å; L201-I242 HydrophobicContact CD2-CD1 4.24Å; L201-I242 HydrophobicContact CD2-CG1 4.12Å; L201-V357 HydrophobicContact CD1-CG1 3.6Å
202	G	74.4	Confident	77	Confident	25 Å²	25	50.3 Å²	50.3	26%	0.258	32%	0.315	S	S	.	.	H	α-helix	trans	-59.8	-47.1	176.6	0	0	0	0	0	112.8	A198 V199 G204 A205 I206	A198-G202 PolarHBondContact O-N 3.5Å; V199-G202 PolarHBondContact O-N 3.07Å; G202-G204 VanDerWaalsContact C-N 3.34Å; G202-G204 PolarHBondContact O-N 3.48Å; G202-A205 PolarHBondContact O-N 3.38Å; G202-I206 WeakPolarHBondContact O-CG1 3.25Å; G202-I206 PolarHBondContact O-N 3.03Å; G202-I206 VanDerWaalsContact O-N 3.11Å
203	I	77.1	Confident	76.3	Confident	106 Å²	106	50.3 Å²	50.3	54%	0.544	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-43.2	175.3	-65.8	170.1	0	0	0	110.9	V199 A205 I206 A207	V199-I203 HydrophobicContact CG1-CD1 3.86Å; V199-I203 HydrophobicContact CG1-CG1 4.47Å; V199-I203 WeakPolarHBondContact O-CG1 3.49Å; V199-I203 PolarHBondContact O-N 2.94Å; I203-A205 PolarHBondContact O-N 3.15Å; I203-I206 PolarHBondContact O-N 3.32Å; I203-A207 WeakPolarHBondContact O-CB 3.38Å; I203-A207 PolarHBondContact O-N 3.4Å
204	G	72.3	Confident	75.4	Confident	7 Å²	7	56.6 Å²	56.6	7%	0.072	35%	0.353	C	S	.	.	H	α-helix	trans	-63.1	-40.7	179.4	0	0	0	0	0	113.1	G200 L201 G202 A207 E208 R241	G200-G204 PolarHBondContact O-N 2.82Å; L201-G204 PolarHBondContact O-N 3.07Å; G202-G204 VanDerWaalsContact C-N 3.34Å; G202-G204 PolarHBondContact O-N 3.48Å; G204-A207 PolarHBondContact O-N 2.99Å; G204-E208 PolarHBondContact O-N 3.12Å; G204-R241 VanDerWaalsContact CA-NH1 3.35Å
205	A	73.4	Confident	74.2	Confident	4 Å²	4	58.3 Å²	58.3	3%	0.033	37%	0.372	C	S	.	.	H	α-helix	trans	-65.2	-43.8	176.6	0	0	0	0	0	111.8	L201 G202 I203 A207 E208 V209 P232 F233	L201-A205 WeakPolarHBondContact O-CB 3.49Å; L201-A205 PolarHBondContact O-N 3.31Å; G202-A205 PolarHBondContact O-N 3.38Å; I203-A205 PolarHBondContact O-N 3.15Å; A205-A207 VanDerWaalsContact C-N 3.33Å; A205-A207 PolarHBondContact O-N 3.16Å; A205-E208 PolarHBondContact O-N 2.82Å; A205-V209 VanDerWaalsContact O-CG2 3.31Å; A205-V209 WeakPolarHBondContact O-CG2 3.44Å; A205-V209 PolarHBondContact O-N 2.75Å; A205-P232 WeakPolarHBondContact CA-O 3.43Å; A205-P232 HydrophobicContact CB-CB 4.21Å; A205-F233 HydrophobicContact CB-CD1 3.55Å; A205-F233 HydrophobicContact CB-CD2 4.07Å; A205-F233 HydrophobicContact CB-CE1 3.42Å; A205-F233 VanDerWaalsContact CB-CE1 3.42Å; A205-F233 HydrophobicContact CB-CE2 3.95Å; A205-F233 HydrophobicContact CB-CG 3.88Å; A205-F233 HydrophobicContact CB-CZ 3.63Å
206	I	74.8	Confident	72.5	Confident	123 Å²	123	60.5 Å²	60.5	63%	0.631	39%	0.394	S	S	*	.	H	α-helix	trans	-60.6	-43.6	175.3	-65.9	165.9	0	0	0	110.8	G202 I203 E208 V209 A210	G202-I206 WeakPolarHBondContact O-CG1 3.25Å; G202-I206 PolarHBondContact O-N 3.03Å; G202-I206 VanDerWaalsContact O-N 3.11Å; I203-I206 PolarHBondContact O-N 3.32Å; I206-E208 PolarHBondContact O-N 2.86Å; I206-V209 PolarHBondContact O-N 2.7Å; I206-A210 WeakPolarHBondContact O-CB 3.36Å; I206-A210 PolarHBondContact O-N 2.79Å
207	A	73.1	Confident	70.8	Confident	56 Å²	56	64.2 Å²	64.2	46%	0.463	40%	0.397	S	S	.	.	H	α-helix	trans	-63.6	-40.1	178.3	0	0	0	0	0	112.4	I203 G204 A205 A210 K211	I203-A207 WeakPolarHBondContact O-CB 3.38Å; I203-A207 PolarHBondContact O-N 3.4Å; G204-A207 PolarHBondContact O-N 2.99Å; A205-A207 VanDerWaalsContact C-N 3.33Å; A205-A207 PolarHBondContact O-N 3.16Å; A207-A210 PolarHBondContact O-N 3.02Å; A207-K211 WeakPolarHBondContact O-CB 3.3Å; A207-K211 PolarHBondContact O-N 2.81Å
208	E	70.6	Confident	68.7	Low	50 Å²	50	73.2 Å²	73.2	23%	0.234	44%	0.439	C	S	.	.	H	α-helix	trans	-68.7	-40.8	177.3	-165.9	59.2	-145.1	0	0	111.4	G204 A205 I206 A210 K211 Q212 P232	G204-E208 PolarHBondContact O-N 3.12Å; A205-E208 PolarHBondContact O-N 2.82Å; I206-E208 PolarHBondContact O-N 2.86Å; E208-A210 PolarHBondContact O-N 2.83Å; E208-K211 PolarHBondContact O-N 2.81Å; E208-Q212 WeakPolarHBondContact O-CB 3.48Å; E208-Q212 VanDerWaalsContact O-CG 3.32Å; E208-Q212 WeakPolarHBondContact O-CG 3.38Å; E208-Q212 PolarHBondContact O-N 3.49Å; E208-P232 HydrophobicContact CB-CB 4.35Å
209	V	72.6	Confident	66.7	Low	78 Å²	78	81.9 Å²	81.9	47%	0.473	47%	0.472	S	S	.	.	H	α-helix	trans	-60.6	-44.8	172.3	172.1	0	0	0	0	111	A205 I206 K211 Q212 S213 P232	A205-V209 VanDerWaalsContact O-CG2 3.31Å; A205-V209 WeakPolarHBondContact O-CG2 3.44Å; A205-V209 PolarHBondContact O-N 2.75Å; I206-V209 PolarHBondContact O-N 2.7Å; V209-K211 PolarHBondContact O-N 2.77Å; V209-Q212 PolarHBondContact O-N 3.49Å; V209-S213 WeakPolarHBondContact O-CB 3.38Å; V209-S213 PolarHBondContact O-N 3.32Å; V209-P232 HydrophobicContact CG2-CB 3.79Å; V209-P232 HydrophobicContact CG2-CG 3.71Å
210	A	73.8	Confident	64.4	Low	45 Å²	45	80.6 Å²	80.6	37%	0.372	48%	0.477	S	S	.	.	H	α-helix	trans	-62.7	-41.6	176.9	0	0	0	0	0	112	I206 A207 E208 S213 L214	I206-A210 WeakPolarHBondContact O-CB 3.36Å; I206-A210 PolarHBondContact O-N 2.79Å; A207-A210 PolarHBondContact O-N 3.02Å; E208-A210 PolarHBondContact O-N 2.83Å; A210-S213 PolarHBondContact O-N 2.99Å; A210-L214 WeakPolarHBondContact O-CB 3.2Å; A210-L214 WeakPolarHBondContact O-CD1 3.42Å; A210-L214 WeakPolarHBondContact O-CG 3.41Å; A210-L214 PolarHBondContact O-N 2.94Å
211	K	73.6	Confident	62.3	Low	138 Å²	138	85.9 Å²	85.9	60%	0.6	51%	0.506	S	S	*	.	H	α-helix	trans	-64.4	-41.6	176.2	-173.9	-176.9	175	-167.5	0	112	A207 E208 V209 S213 L214 G215	A207-K211 WeakPolarHBondContact O-CB 3.3Å; A207-K211 PolarHBondContact O-N 2.81Å; E208-K211 PolarHBondContact O-N 2.81Å; V209-K211 PolarHBondContact O-N 2.77Å; K211-S213 VanDerWaalsContact C-N 3.31Å; K211-L214 PolarHBondContact O-N 3.32Å; K211-G215 PolarHBondContact O-N 3.33Å
212	Q	67.2	Low	60.1	Low	60 Å²	60	93.6 Å²	93.6	28%	0.28	54%	0.539	S	S	.	.	H	α-helix	trans	-68.2	-30.5	174.7	-71.8	-175.9	13.9	0	0	112.6	E208 V209	E208-Q212 WeakPolarHBondContact O-CB 3.48Å; E208-Q212 VanDerWaalsContact O-CG 3.32Å; E208-Q212 WeakPolarHBondContact O-CG 3.38Å; E208-Q212 PolarHBondContact O-N 3.49Å; V209-Q212 PolarHBondContact O-N 3.49Å
213	S	68.9	Low	58.1	Low	103 Å²	103	98.2 Å²	98.2	72%	0.72	57%	0.565	S	S	*	*	H	α-helix	trans	-75.6	-23.7	174.9	-173.2	0	0	0	0	113.3	V209 A210 K211	V209-S213 WeakPolarHBondContact O-CB 3.38Å; V209-S213 PolarHBondContact O-N 3.32Å; A210-S213 PolarHBondContact O-N 2.99Å; K211-S213 VanDerWaalsContact C-N 3.31Å
214	L	66.8	Low	56	Low	153 Å²	153	102.4 Å²	102.4	80%	0.801	58%	0.582	S	S	*	*	H	α-helix	trans	-98.5	-24.9	-178.9	-71.5	164.7	0	0	0	113.1	A210 K211	A210-L214 WeakPolarHBondContact O-CB 3.2Å; A210-L214 WeakPolarHBondContact O-CD1 3.42Å; A210-L214 WeakPolarHBondContact O-CG 3.41Å; A210-L214 PolarHBondContact O-N 2.94Å; K211-L214 PolarHBondContact O-N 3.32Å
215	G	55.2	Low	54.1	Low	42 Å²	42	109.1 Å²	109.1	43%	0.433	61%	0.614	S	S	.	*	S	Bend	trans	-104.6	99.6	175.5	0	0	0	0	0	111.9	K211 K217	K211-G215 PolarHBondContact O-N 3.33Å; G215-K217 PolarHBondContact O-N 3.45Å
216	G	45.2	Very low	52.2	Low	82 Å²	82	113.5 Å²	113.5	85%	0.845	64%	0.636	S	S	*	*			trans	-53.5	122.2	177.7	0	0	0	0	0	112.6	Q218	G216-Q218 PolarHBondContact O-N 3.47Å
217	K	46.3	Very low	50.6	Low	127 Å²	127	111.8 Å²	111.8	55%	0.552	64%	0.64	S	S	*	*			trans	-67.7	123.3	-179.8	-76	-172.9	179.6	-178.9	0	111.5	G215 K219 D230	G215-K217 PolarHBondContact O-N 3.45Å; K217-K219 PolarHBondContact O-N 2.85Å; K217-D230 IonicContact NZ-OD2 2.66Å; K217-D230 PolarHBondContact NZ-OD2 3Å
218	Q	38.7	Very low	49	Very low	195 Å²	195	116.3 Å²	116.3	91%	0.911	66%	0.656	S	S	*	*			trans	-62.9	114.2	150.5	-85.7	-176.1	-14.1	0	0	108.3	G216 G220	G216-Q218 PolarHBondContact O-N 3.47Å; Q218-G220 PolarHBondContact O-N 2.91Å
219	K	37.3	Very low	47.5	Very low	208 Å²	208	117.7 Å²	117.7	90%	0.904	66%	0.663	S	S	*	*			trans	-71.5	100.9	169.3	-86.9	179.3	172.1	177.5	0	109.3	K217	K217-K219 PolarHBondContact O-N 2.85Å
220	G	32.9	Very low	46.4	Very low	66 Å²	66	117.9 Å²	117.9	68%	0.68	66%	0.662	S	S	*	*			trans	-81.7	129.6	160.5	0	0	0	0	0	110.3	Q218 F222	Q218-G220 PolarHBondContact O-N 2.91Å; G220-F222 PolarHBondContact O-N 3.39Å
221	V	34.9	Very low	45.6	Very low	128 Å²	128	117.5 Å²	117.5	78%	0.776	66%	0.657	S	S	*	*	S	Bend	trans	-64.6	108.6	-178	176	0	0	0	0	110.5
222	F	32.8	Very low	44.8	Very low	169 Å²	169	112.4 Å²	112.4	74%	0.741	64%	0.638	S	S	*	*			trans	176.4	98.8	149.6	-82.2	-60.5	0	0	0	108.1	G220	G220-F222 PolarHBondContact O-N 3.39Å
223	P	32.8	Very low	44.4	Very low	123 Å²	123	113.2 Å²	113.2	80%	0.799	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.1	-20.3	-158.2	-14	30	0	0	0	117
224	E	33.1	Very low	44.1	Very low	193 Å²	193	109 Å²	109	90%	0.902	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.1	-14	-160.6	-139.2	168.7	-175.5	0	0	114.9
225	M	32.4	Very low	44.1	Very low	149 Å²	149	102.6 Å²	102.6	73%	0.734	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	-16.3	-177	-156.6	162.9	65.3	0	0	114.1	M229	M225-M229 VanDerWaalsContact O-CG 3.3Å; M225-M229 WeakPolarHBondContact O-CG 3.34Å
226	N	34.2	Very low	44.8	Very low	96 Å²	96	106.6 Å²	106.6	51%	0.513	59%	0.585	S	S	.	*	S	Bend	trans	-90.1	-16.6	-179.4	-79.4	-24.5	0	0	0	114.3	L228 M229	N226-L228 VanDerWaalsContact C-N 3.32Å; N226-L228 PolarHBondContact O-N 3.35Å; N226-M229 WeakPolarHBondContact O-CB 3.16Å; N226-M229 PolarHBondContact O-N 2.9Å; N226-M229 VanDerWaalsContact O-N 3.12Å
227	A	40.3	Very low	46	Very low	86 Å²	86	105.1 Å²	105.1	71%	0.711	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-25.8	-177.2	0	0	0	0	0	113.5
228	L	38.7	Very low	47.2	Very low	152 Å²	152	99 Å²	99	80%	0.796	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-10.7	171.4	-95.1	160.9	0	0	0	113.3	N226	N226-L228 VanDerWaalsContact C-N 3.32Å; N226-L228 PolarHBondContact O-N 3.35Å
229	M	40.1	Very low	48.8	Very low	78 Å²	78	90.1 Å²	90.1	38%	0.384	50%	0.498	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-13.2	-177.6	-65.4	-74.3	174.3	0	0	113.2	M225 N226	M225-M229 VanDerWaalsContact O-CG 3.3Å; M225-M229 WeakPolarHBondContact O-CG 3.34Å; N226-M229 WeakPolarHBondContact O-CB 3.16Å; N226-M229 PolarHBondContact O-N 2.9Å; N226-M229 VanDerWaalsContact O-N 3.12Å
230	D	48.8	Very low	50.6	Low	82 Å²	82	84.2 Å²	84.2	44%	0.439	47%	0.474	S	S	.	.			trans	-106.4	32.7	-173.1	-98.9	-4.9	0	0	0	112.7	K217 P232	K217-D230 IonicContact NZ-OD2 2.66Å; K217-D230 PolarHBondContact NZ-OD2 3Å; D230-P232 WeakPolarHBondContact O-CD 3.47Å
231	S	56.9	Low	52.7	Low	38 Å²	38	85.5 Å²	85.5	27%	0.266	46%	0.458	S	S	.	.			trans	-65.5	117.6	168.4	163.5	0	0	0	0	109	F233 L234	S231-F233 PolarHBondContact O-N 2.85Å; S231-F233 PolarHBondContact OG-N 2.84Å; S231-L234 PolarHBondContact O-N 3.16Å
232	P	58.4	Low	54.7	Low	31 Å²	31	79.5 Å²	79.5	20%	0.201	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-59.2	-19.6	177.1	-22.4	34.1	0	0	0	112.9	A205 E208 V209 D230 N238	A205-P232 WeakPolarHBondContact CA-O 3.43Å; A205-P232 HydrophobicContact CB-CB 4.21Å; E208-P232 HydrophobicContact CB-CB 4.35Å; V209-P232 HydrophobicContact CG2-CB 3.79Å; V209-P232 HydrophobicContact CG2-CG 3.71Å; D230-P232 WeakPolarHBondContact O-CD 3.47Å; P232-N238 PolarHBondContact O-ND2 3.46Å
233	F	57.6	Low	56.6	Low	76 Å²	76	72 Å²	72	33%	0.333	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-81.3	-18.7	177.9	-70.2	-84.6	0	0	0	113.7	A205 S231 N238 S361	A205-F233 HydrophobicContact CB-CD1 3.55Å; A205-F233 HydrophobicContact CB-CD2 4.07Å; A205-F233 HydrophobicContact CB-CE1 3.42Å; A205-F233 VanDerWaalsContact CB-CE1 3.42Å; A205-F233 HydrophobicContact CB-CE2 3.95Å; A205-F233 HydrophobicContact CB-CG 3.88Å; A205-F233 HydrophobicContact CB-CZ 3.63Å; S231-F233 PolarHBondContact O-N 2.85Å; S231-F233 PolarHBondContact OG-N 2.84Å; F233-N238 VanDerWaalsContact O-CB 3.27Å; F233-N238 WeakPolarHBondContact O-CB 3.49Å; F233-N238 PolarHBondContact O-ND2 2.85Å; F233-S361 WeakPolarHBondContact CB-O 3.49Å
234	L	62	Low	58.7	Low	14 Å²	14	70.2 Å²	70.2	7%	0.073	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-104.5	20.4	-179.2	-69.1	178.7	0	0	0	114.2	S231 Q271 L272 V362	S231-L234 PolarHBondContact O-N 3.16Å; L234-Q271 PolarHBondContact O-OE1 3.49Å; L234-L272 HydrophobicContact CD1-CD1 4.39Å; L234-L272 HydrophobicContact CD2-CD1 4.21Å; L234-L272 HydrophobicContact CD2-CD2 3.96Å; L234-L272 HydrophobicContact CD2-CG 4.02Å; L234-V362 HydrophobicContact CD2-CG2 4.12Å
235	S	68.1	Low	60.9	Low	20 Å²	20	61.9 Å²	61.9	14%	0.14	34%	0.336	C	S	.	.			trans	-56.1	153	173.3	70.4	0	0	0	0	112.2	A237 N238 A239	S235-A237 PolarHBondContact O-N 2.94Å; S235-A237 VanDerWaalsContact O-N 3.11Å; S235-N238 PolarHBondContact O-N 2.8Å; S235-N238 PolarHBondContact OG-N 3.19Å; S235-A239 WeakPolarHBondContact O-CB 3.44Å; S235-A239 PolarHBondContact O-N 2.8Å
236	E	69.4	Low	63	Low	126 Å²	126	54.8 Å²	54.8	59%	0.589	30%	0.301	S	S	*	.	H	α-helix	trans	-55.2	-32.5	179.1	-174.6	169	-160.5	0	0	112.7	A239 E240 R278	E236-A239 WeakPolarHBondContact O-CB 3.39Å; E236-E240 WeakPolarHBondContact O-CG 3.39Å; E236-E240 PolarHBondContact O-N 3.12Å; E236-R278 IonicContact OE1-NH2 2.84Å
237	A	70.3	Confident	64.9	Low	50 Å²	50	50.5 Å²	50.5	41%	0.413	28%	0.278	S	S	.	.	H	α-helix	trans	-70.3	-40.2	175.6	0	0	0	0	0	112.9	S235 A239 E240 R241	S235-A237 PolarHBondContact O-N 2.94Å; S235-A237 VanDerWaalsContact O-N 3.11Å; A237-A239 VanDerWaalsContact C-N 3.35Å; A237-E240 PolarHBondContact O-N 2.9Å; A237-R241 WeakPolarHBondContact O-CG 3.46Å; A237-R241 PolarHBondContact O-N 2.85Å; A237-R241 VanDerWaalsContact O-N 3.15Å
238	N	72	Confident	66.6	Low	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-69.5	-38.2	176	-80	-8.6	0	0	0	111.4	L201 P232 F233 S235 E240 R241 I242	L201-N238 HydrophobicContact CD2-CB 3.46Å; L201-N238 VanDerWaalsContact CD2-CB 3.46Å; P232-N238 PolarHBondContact O-ND2 3.46Å; F233-N238 VanDerWaalsContact O-CB 3.27Å; F233-N238 WeakPolarHBondContact O-CB 3.49Å; F233-N238 PolarHBondContact O-ND2 2.85Å; S235-N238 PolarHBondContact O-N 2.8Å; S235-N238 PolarHBondContact OG-N 3.19Å; N238-E240 PolarHBondContact O-N 3.18Å; N238-R241 WeakPolarHBondContact O-CB 3.41Å; N238-R241 PolarHBondContact O-N 2.81Å; N238-R241 VanDerWaalsContact O-N 3.13Å; N238-R241 PolarHBondContact OD1-NH1 3.01Å; N238-I242 WeakPolarHBondContact O-CG1 3.45Å; N238-I242 PolarHBondContact O-N 2.73Å
239	A	71.1	Confident	68.3	Low	7 Å²	7	43.7 Å²	43.7	6%	0.058	23%	0.226	C	C	.	.	H	α-helix	trans	-54.4	-50.5	171.6	0	0	0	0	0	112.2	S235 E236 A237 R241 I242 V243 I275	S235-A239 WeakPolarHBondContact O-CB 3.44Å; S235-A239 PolarHBondContact O-N 2.8Å; E236-A239 WeakPolarHBondContact O-CB 3.39Å; A237-A239 VanDerWaalsContact C-N 3.35Å; A239-R241 VanDerWaalsContact C-N 3.31Å; A239-R241 PolarHBondContact O-N 3.44Å; A239-I242 PolarHBondContact O-N 3.07Å; A239-V243 WeakPolarHBondContact O-CG2 3.41Å; A239-V243 PolarHBondContact O-N 2.91Å; A239-I275 HydrophobicContact CB-CD1 3.06Å; A239-I275 HydrophobicContact CB-CG1 3.45Å; A239-I275 VanDerWaalsContact CB-CG1 3.45Å
240	E	75.2	Confident	70	Confident	85 Å²	85	40 Å²	40	40%	0.397	21%	0.207	S	C	.	.	H	α-helix	trans	-63.6	-32.7	175.4	-74.2	-173	168.9	0	0	113.5	E236 A237 N238 V243 N244 R278	E236-E240 WeakPolarHBondContact O-CG 3.39Å; E236-E240 PolarHBondContact O-N 3.12Å; A237-E240 PolarHBondContact O-N 2.9Å; N238-E240 PolarHBondContact O-N 3.18Å; E240-V243 PolarHBondContact O-N 3.09Å; E240-N244 VanDerWaalsContact O-CB 3.29Å; E240-N244 WeakPolarHBondContact O-CB 3.5Å; E240-N244 VanDerWaalsContact O-CG 3.25Å; E240-N244 PolarHBondContact O-N 2.84Å; E240-N244 PolarHBondContact O-ND2 2.84Å; E240-R278 IonicContact OE1-NH1 3.45Å; E240-R278 PolarHBondContact OE1-NH1 2.91Å
241	R	77.8	Confident	71.4	Confident	92 Å²	92	36 Å²	36	35%	0.347	19%	0.187	S	C	.	.	H	α-helix	trans	-64.9	-41.8	173.6	-70.7	172.4	-172	144.9	6	111.7	L197 G200 G204 A237 N238 A239 N244 T245	L197-R241 HydrophobicContact CD1-CB 3.92Å; G200-R241 PolarHBondContact O-NH1 2.83Å; G204-R241 VanDerWaalsContact CA-NH1 3.35Å; A237-R241 WeakPolarHBondContact O-CG 3.46Å; A237-R241 PolarHBondContact O-N 2.85Å; A237-R241 VanDerWaalsContact O-N 3.15Å; N238-R241 WeakPolarHBondContact O-CB 3.41Å; N238-R241 PolarHBondContact O-N 2.81Å; N238-R241 VanDerWaalsContact O-N 3.13Å; N238-R241 PolarHBondContact OD1-NH1 3.01Å; A239-R241 VanDerWaalsContact C-N 3.31Å; A239-R241 PolarHBondContact O-N 3.44Å; R241-N244 PolarHBondContact O-N 2.75Å; R241-T245 WeakPolarHBondContact O-CB 3.39Å; R241-T245 PolarHBondContact O-N 2.7Å; R241-T245 PolarHBondContact O-OG1 2.87Å; R241-T245 VanDerWaalsContact O-OG1 3.08Å
242	I	76.4	Confident	72.2	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.015	17%	0.174	C	C	.	.	H	α-helix	trans	-61.1	-51.1	174.9	-64.8	167.1	0	0	0	109.5	L197 L201 N238 A239 N244 T245 L246 I275	L197-I242 HydrophobicContact CD1-CG1 4.05Å; L197-I242 HydrophobicContact CD2-CG1 4.43Å; L201-I242 HydrophobicContact CD1-CD1 4.45Å; L201-I242 HydrophobicContact CD1-CG1 4.28Å; L201-I242 HydrophobicContact CD2-CD1 4.24Å; L201-I242 HydrophobicContact CD2-CG1 4.12Å; N238-I242 WeakPolarHBondContact O-CG1 3.45Å; N238-I242 PolarHBondContact O-N 2.73Å; A239-I242 PolarHBondContact O-N 3.07Å; I242-N244 VanDerWaalsContact C-N 3.35Å; I242-N244 PolarHBondContact O-N 2.9Å; I242-T245 PolarHBondContact O-N 3.33Å; I242-L246 HydrophobicContact CG2-CD1 3.85Å; I242-L246 HydrophobicContact CG2-CG 4.28Å; I242-L246 VanDerWaalsContact O-CG 3.31Å; I242-L246 WeakPolarHBondContact O-CG 3.46Å; I242-L246 PolarHBondContact O-N 2.78Å; I242-I275 HydrophobicContact CG2-CG2 4.33Å
243	V	73.6	Confident	72.8	Confident	10 Å²	10	32.8 Å²	32.8	6%	0.061	17%	0.165	C	C	.	.	H	α-helix	trans	-52.8	-53.2	176.6	176.1	0	0	0	0	110.8	A239 E240 T245 L246 C247 I275 R278 V279	A239-V243 WeakPolarHBondContact O-CG2 3.41Å; A239-V243 PolarHBondContact O-N 2.91Å; E240-V243 PolarHBondContact O-N 3.09Å; V243-T245 VanDerWaalsContact C-N 3.32Å; V243-T245 PolarHBondContact O-N 2.66Å; V243-L246 PolarHBondContact O-N 3.3Å; V243-C247 WeakPolarHBondContact O-CB 3.43Å; V243-C247 PolarHBondContact O-N 3.38Å; V243-C247 PolarHBondContact O-SG 3.23Å; V243-I275 HydrophobicContact CG2-CB 3.81Å; V243-I275 HydrophobicContact CG2-CG1 4.08Å; V243-I275 HydrophobicContact CG2-CG2 3.32Å; V243-R278 HydrophobicContact CG1-CB 4.35Å; V243-R278 HydrophobicContact CG2-CB 4.44Å; V243-V279 HydrophobicContact CB-CG2 3.98Å; V243-V279 HydrophobicContact CG1-CG2 3.75Å; V243-V279 HydrophobicContact CG2-CG2 3.91Å
244	N	76.8	Confident	73.6	Confident	86 Å²	86	29.2 Å²	29.2	46%	0.46	15%	0.149	S	C	.	.	H	α-helix	trans	-62.1	-39.2	-175.3	-78.6	-45	0	0	0	112.4	E240 R241 I242 K248	E240-N244 VanDerWaalsContact O-CB 3.29Å; E240-N244 WeakPolarHBondContact O-CB 3.5Å; E240-N244 VanDerWaalsContact O-CG 3.25Å; E240-N244 PolarHBondContact O-N 2.84Å; E240-N244 PolarHBondContact O-ND2 2.84Å; R241-N244 PolarHBondContact O-N 2.75Å; I242-N244 VanDerWaalsContact C-N 3.35Å; I242-N244 PolarHBondContact O-N 2.9Å; N244-K248 VanDerWaalsContact O-CB 3.27Å; N244-K248 WeakPolarHBondContact O-CB 3.4Å; N244-K248 PolarHBondContact O-N 2.99Å
245	T	78.8	Confident	74.2	Confident	19 Å²	19	28.8 Å²	28.8	12%	0.117	15%	0.147	C	C	.	.	H	α-helix	trans	-68.4	-45	176.7	-61.6	0	0	0	0	111.2	N193 L197 R241 I242 V243 C247 K248 V249	N193-T245 HydrophobicContact CB-CG2 4.43Å; L197-T245 HydrophobicContact CB-CG2 4.06Å; L197-T245 HydrophobicContact CD2-CG2 3.95Å; R241-T245 WeakPolarHBondContact O-CB 3.39Å; R241-T245 PolarHBondContact O-N 2.7Å; R241-T245 PolarHBondContact O-OG1 2.87Å; R241-T245 VanDerWaalsContact O-OG1 3.08Å; I242-T245 PolarHBondContact O-N 3.33Å; V243-T245 VanDerWaalsContact C-N 3.32Å; V243-T245 PolarHBondContact O-N 2.66Å; T245-C247 VanDerWaalsContact C-N 3.33Å; T245-C247 PolarHBondContact O-N 2.91Å; T245-K248 PolarHBondContact O-N 3.22Å; T245-K248 VanDerWaalsContact O-N 3.1Å; T245-V249 HydrophobicContact CG2-CG2 4.22Å; T245-V249 WeakPolarHBondContact O-CG2 3.47Å; T245-V249 PolarHBondContact O-N 3.38Å
246	L	76	Confident	74.4	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61	-42	176.4	-66.5	178.2	0	0	0	111.6	I242 V243 K248 R250 A253 F276 V279 L354	I242-L246 HydrophobicContact CG2-CD1 3.85Å; I242-L246 HydrophobicContact CG2-CG 4.28Å; I242-L246 VanDerWaalsContact O-CG 3.31Å; I242-L246 WeakPolarHBondContact O-CG 3.46Å; I242-L246 PolarHBondContact O-N 2.78Å; V243-L246 PolarHBondContact O-N 3.3Å; L246-K248 VanDerWaalsContact C-N 3.28Å; L246-K248 PolarHBondContact O-N 3.36Å; L246-R250 WeakPolarHBondContact O-CA 3.39Å; L246-R250 PolarHBondContact O-N 2.93Å; L246-A253 HydrophobicContact CD2-CB 3.78Å; L246-F276 HydrophobicContact CD1-CE1 4.26Å; L246-V279 HydrophobicContact CB-CG1 4.48Å; L246-V279 HydrophobicContact CB-CG2 4.35Å; L246-V279 HydrophobicContact CD1-CG2 4.12Å; L246-L354 HydrophobicContact CD2-CD1 4.04Å
247	C	73.9	Confident	74.4	Confident	5 Å²	5	22.1 Å²	22.1	3%	0.034	11%	0.113	C	C	.	.	H	α-helix	trans	-68.8	-24.1	175.9	-63.2	0	0	0	0	113.1	V243 T245 R250 S282	V243-C247 WeakPolarHBondContact O-CB 3.43Å; V243-C247 PolarHBondContact O-N 3.38Å; V243-C247 PolarHBondContact O-SG 3.23Å; T245-C247 VanDerWaalsContact C-N 3.33Å; T245-C247 PolarHBondContact O-N 2.91Å; C247-R250 WeakPolarHBondContact O-CG 2.84Å; C247-S282 PolarHBondContact SG-O 3.07Å
248	K	75.8	Confident	74.2	Confident	95 Å²	95	20.8 Å²	20.8	41%	0.413	10%	0.098	S	C	.	.	H	α-helix	trans	-82.5	-46.5	177.1	-174.3	-179.1	179.7	-165.1	0	111.7	P184 N193 N244 T245 L246	P184-K248 WeakPolarHBondContact CD-O 3.37Å; N193-K248 VanDerWaalsContact OD1-CD 3.3Å; N193-K248 WeakPolarHBondContact OD1-CD 3.4Å; N193-K248 WeakPolarHBondContact OD1-CE 3.3Å; N193-K248 PolarHBondContact OD1-NZ 2.91Å; N244-K248 VanDerWaalsContact O-CB 3.27Å; N244-K248 WeakPolarHBondContact O-CB 3.4Å; N244-K248 PolarHBondContact O-N 2.99Å; T245-K248 PolarHBondContact O-N 3.22Å; T245-K248 VanDerWaalsContact O-N 3.1Å; L246-K248 VanDerWaalsContact C-N 3.28Å; L246-K248 PolarHBondContact O-N 3.36Å
249	V	75.6	Confident	74	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-69.2	-41.4	179.2	178.3	0	0	0	0	110.6	R190 N193 F194 T245 A253	R190-V249 HydrophobicContact CG-CG1 4.24Å; N193-V249 HydrophobicContact CB-CG2 3.78Å; F194-V249 HydrophobicContact CE2-CG1 4.1Å; F194-V249 HydrophobicContact CE2-CG2 4.21Å; F194-V249 HydrophobicContact CZ-CG1 4.48Å; T245-V249 HydrophobicContact CG2-CG2 4.22Å; T245-V249 WeakPolarHBondContact O-CG2 3.47Å; T245-V249 PolarHBondContact O-N 3.38Å; V249-A253 HydrophobicContact CG1-CB 4.25Å
250	R	76.5	Confident	73.5	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.106	C	C	.	.			trans	55.6	-168.8	-178	-65.8	171	-80.4	-177.2	-8.2	111.8	R181 K182 V183 L246 C247 L254 D284 F285 Y340	R181-R250 PolarHBondContact O-NH1 3.33Å; R181-R250 PolarHBondContact O-NH2 2.82Å; K182-R250 PolarHBondContact O-NH2 3.25Å; V183-R250 VanDerWaalsContact CA-NH2 3.26Å; V183-R250 VanDerWaalsContact N-NH2 3.14Å; L246-R250 WeakPolarHBondContact O-CA 3.39Å; L246-R250 PolarHBondContact O-N 2.93Å; C247-R250 WeakPolarHBondContact O-CG 2.84Å; R250-L254 HydrophobicContact CB-CD2 4.47Å; R250-L254 HydrophobicContact CG-CD2 4.3Å; R250-D284 WeakPolarHBondContact CD-O 3.5Å; R250-D284 PolarHBondContact NH1-O 3.33Å; R250-F285 VanDerWaalsContact NH1-C 3.3Å; R250-F285 PolarHBondContact NH1-O 3.06Å; R250-Y340 HydrophobicContact CB-CD2 3.91Å; R250-Y340 HydrophobicContact CB-CE2 3.9Å; R250-Y340 HydrophobicContact CG-CE2 4.25Å
251	G	76.9	Confident	72.7	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.9	-135.7	174.5	0	0	0	0	0	112.4	A253 L254 K255 S319	G251-A253 VanDerWaalsContact C-N 3.33Å; G251-A253 PolarHBondContact O-N 2.87Å; G251-L254 PolarHBondContact O-N 3.45Å; G251-L254 VanDerWaalsContact O-N 3.13Å; G251-K255 PolarHBondContact O-N 3.19Å; G251-S319 PolarHBondContact N-O 3.39Å
252	A	73.4	Confident	71.4	Confident	1 Å²	1	17.2 Å²	17.2	1%	0.008	9%	0.088	C	C	.	.	H	α-helix	trans	-53.5	-47.8	-177.8	0	0	0	0	0	112.3	L254 K255 I256 I347 D350 L381	A252-L254 VanDerWaalsContact C-N 3.3Å; A252-L254 PolarHBondContact O-N 2.68Å; A252-K255 PolarHBondContact O-N 2.87Å; A252-I256 WeakPolarHBondContact O-CD1 3.36Å; A252-I256 WeakPolarHBondContact O-CG1 3.39Å; A252-I256 PolarHBondContact O-N 3.43Å; A252-I347 HydrophobicContact CB-CB 4.4Å; A252-I347 HydrophobicContact CB-CG1 4.18Å; A252-D350 HydrophobicContact CB-CB 4.07Å; A252-L381 HydrophobicContact CB-CD1 4.26Å
253	A	72.1	Confident	70.2	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-58.4	-41	179.4	0	0	0	0	0	113	F194 L246 V249 G251 G257 D350	F194-A253 HydrophobicContact CZ-CB 3.97Å; L246-A253 HydrophobicContact CD2-CB 3.78Å; V249-A253 HydrophobicContact CG1-CB 4.25Å; G251-A253 VanDerWaalsContact C-N 3.33Å; G251-A253 PolarHBondContact O-N 2.87Å; A253-G257 PolarHBondContact O-N 3.06Å; A253-G257 VanDerWaalsContact O-N 3.07Å; A253-D350 HydrophobicContact CB-CB 4.48Å
254	L	73.5	Confident	68.7	Low	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68.7	-44.6	177.7	175	56.5	0	0	0	111.4	R250 G251 A252 I256 G257 Q258 V279	R250-L254 HydrophobicContact CB-CD2 4.47Å; R250-L254 HydrophobicContact CG-CD2 4.3Å; G251-L254 PolarHBondContact O-N 3.45Å; G251-L254 VanDerWaalsContact O-N 3.13Å; A252-L254 VanDerWaalsContact C-N 3.3Å; A252-L254 PolarHBondContact O-N 2.68Å; L254-I256 VanDerWaalsContact C-N 3.33Å; L254-I256 PolarHBondContact O-N 2.93Å; L254-G257 PolarHBondContact O-N 3.26Å; L254-Q258 HydrophobicContact CD1-CG 4.48Å; L254-Q258 WeakPolarHBondContact O-CG 3.27Å; L254-Q258 PolarHBondContact O-N 2.88Å; L254-V279 HydrophobicContact CD1-CB 4.39Å; L254-V279 HydrophobicContact CD1-CG1 3.11Å; L254-V279 WeakPolarHBondContact CD1-O 3.28Å
255	K	75.6	Confident	67	Low	6 Å²	6	23.5 Å²	23.5	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-64.2	-38.2	177.1	-171	75.1	-168	-138.4	0	111.6	G251 A252 G257 Q258 M259 L381 E384 D467	G251-K255 PolarHBondContact O-N 3.19Å; A252-K255 PolarHBondContact O-N 2.87Å; K255-G257 VanDerWaalsContact C-N 3.34Å; K255-G257 PolarHBondContact O-N 3.47Å; K255-Q258 CarbonylContact O-C 3.58Å; K255-Q258 WeakPolarHBondContact O-CB 3.48Å; K255-Q258 PolarHBondContact O-N 3.45Å; K255-Q258 VanDerWaalsContact O-N 3.13Å; K255-M259 HydrophobicContact CD-CE 4.5Å; K255-M259 HydrophobicContact CG-CE 3.86Å; K255-M259 HydrophobicContact CG-CG 4.38Å; K255-M259 HydrophobicContact CG-SD 4.38Å; K255-M259 WeakPolarHBondContact O-CG 3.46Å; K255-M259 PolarHBondContact O-N 3.09Å; K255-L381 HydrophobicContact CB-CD2 3.62Å; K255-L381 HydrophobicContact CG-CD2 3.58Å; K255-E384 WeakPolarHBondContact CD-OE1 3.47Å; K255-E384 WeakPolarHBondContact CD-OE2 3.3Å; K255-E384 WeakPolarHBondContact CE-OE1 3.44Å; K255-E384 WeakPolarHBondContact CE-OE2 3.15Å; K255-E384 VanDerWaalsContact CG-OE2 3.28Å; K255-E384 WeakPolarHBondContact CG-OE2 3.44Å; K255-E384 VanDerWaalsContact NZ-CD 3.35Å; K255-E384 IonicContact NZ-OE1 2.75Å; K255-E384 PolarHBondContact NZ-OE1 3.32Å; K255-E384 IonicContact NZ-OE2 2.86Å; K255-E384 PolarHBondContact NZ-OE2 3.14Å; K255-D467 IonicContact NZ-OD2 3.37Å; K255-D467 PolarHBondContact NZ-OD2 2.76Å
256	I	72.2	Confident	65.2	Low	6 Å²	6	25.2 Å²	25.2	3%	0.031	13%	0.131	C	C	.	.	H	α-helix	trans	-60.8	-46.7	173.6	-62.5	158.6	0	0	0	110.1	A252 L254 Q258 M259 L260 I351 L354 L377 L381	A252-I256 WeakPolarHBondContact O-CD1 3.36Å; A252-I256 WeakPolarHBondContact O-CG1 3.39Å; A252-I256 PolarHBondContact O-N 3.43Å; L254-I256 VanDerWaalsContact C-N 3.33Å; L254-I256 PolarHBondContact O-N 2.93Å; I256-Q258 VanDerWaalsContact C-N 3.26Å; I256-Q258 PolarHBondContact O-N 3.18Å; I256-M259 PolarHBondContact O-N 3.13Å; I256-L260 HydrophobicContact CG2-CD1 3.91Å; I256-L260 HydrophobicContact CG2-CG 4.28Å; I256-L260 WeakPolarHBondContact O-CB 3.42Å; I256-L260 VanDerWaalsContact O-CG 3.27Å; I256-L260 WeakPolarHBondContact O-CG 3.09Å; I256-L260 PolarHBondContact O-N 3.34Å; I256-I351 HydrophobicContact CD1-CB 4.45Å; I256-I351 HydrophobicContact CD1-CD1 4.43Å; I256-I351 HydrophobicContact CD1-CG1 3.43Å; I256-I351 VanDerWaalsContact CD1-CG1 3.43Å; I256-L354 HydrophobicContact CB-CD2 3.89Å; I256-L354 HydrophobicContact CD1-CD2 4.04Å; I256-L354 HydrophobicContact CG2-CD2 3.56Å; I256-L377 HydrophobicContact CG1-CD1 4.47Å; I256-L377 HydrophobicContact CG1-CD2 4.19Å; I256-L377 HydrophobicContact CG2-CD2 4.5Å; I256-L381 HydrophobicContact CD1-CD1 4.12Å; I256-L381 HydrophobicContact CG1-CD1 3.87Å
257	G	68	Low	63.7	Low	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-56.7	-39.4	173.9	0	0	0	0	0	112.8	A253 L254 K255 S261 F276	A253-G257 PolarHBondContact O-N 3.06Å; A253-G257 VanDerWaalsContact O-N 3.07Å; L254-G257 PolarHBondContact O-N 3.26Å; K255-G257 VanDerWaalsContact C-N 3.34Å; K255-G257 PolarHBondContact O-N 3.47Å; G257-S261 WeakPolarHBondContact O-CB 3.42Å; G257-S261 PolarHBondContact O-N 3.04Å; G257-F276 WeakPolarHBondContact O-CD1 3.31Å
258	Q	67.9	Low	62.6	Low	21 Å²	21	29.1 Å²	29.1	10%	0.098	15%	0.149	C	C	.	.	H	α-helix	trans	-69.4	-42.6	175.5	-68.9	171.7	-8.7	0	0	112.7	L254 K255 I256 L260 S261 I262 R280 S319	L254-Q258 HydrophobicContact CD1-CG 4.48Å; L254-Q258 WeakPolarHBondContact O-CG 3.27Å; L254-Q258 PolarHBondContact O-N 2.88Å; K255-Q258 CarbonylContact O-C 3.58Å; K255-Q258 WeakPolarHBondContact O-CB 3.48Å; K255-Q258 PolarHBondContact O-N 3.45Å; K255-Q258 VanDerWaalsContact O-N 3.13Å; I256-Q258 VanDerWaalsContact C-N 3.26Å; I256-Q258 PolarHBondContact O-N 3.18Å; Q258-L260 VanDerWaalsContact C-N 3.31Å; Q258-L260 PolarHBondContact O-N 2.9Å; Q258-S261 WeakPolarHBondContact O-CA 3.38Å; Q258-S261 WeakPolarHBondContact O-CB 3.17Å; Q258-S261 PolarHBondContact O-N 3.31Å; Q258-S261 VanDerWaalsContact O-N 3.09Å; Q258-I262 VanDerWaalsContact O-CD1 3.3Å; Q258-I262 WeakPolarHBondContact O-CD1 3.19Å; Q258-I262 VanDerWaalsContact O-CG1 3.24Å; Q258-I262 WeakPolarHBondContact O-CG1 3.48Å; Q258-I262 PolarHBondContact O-N 3.42Å; Q258-I262 VanDerWaalsContact O-N 3.12Å; Q258-R280 HydrophobicContact CG-CB 4.34Å; Q258-R280 HydrophobicContact CG-CG 4.45Å; Q258-S319 VanDerWaalsContact OE1-CB 3.25Å
259	M	66.8	Low	61.6	Low	28 Å²	28	26 Å²	26	14%	0.138	14%	0.136	C	C	.	.	H	α-helix	trans	-62.8	-40.1	176.5	-72.4	177.8	173.3	0	0	111.3	K255 I256 I262 L377 L381	K255-M259 HydrophobicContact CD-CE 4.5Å; K255-M259 HydrophobicContact CG-CE 3.86Å; K255-M259 HydrophobicContact CG-CG 4.38Å; K255-M259 HydrophobicContact CG-SD 4.38Å; K255-M259 WeakPolarHBondContact O-CG 3.46Å; K255-M259 PolarHBondContact O-N 3.09Å; I256-M259 PolarHBondContact O-N 3.13Å; M259-I262 PolarHBondContact O-N 2.87Å; M259-L377 HydrophobicContact CE-CD1 4.4Å; M259-L377 HydrophobicContact SD-CD1 3.36Å; M259-L377 WeakPolarHBondContact SD-CD1 3.33Å; M259-L381 HydrophobicContact CE-CD2 4.39Å
260	L	61.7	Low	60.7	Low	17 Å²	17	29.1 Å²	29.1	9%	0.089	16%	0.157	C	C	.	.	H	α-helix	trans	-67.3	-36.2	171.8	-65.8	174.7	0	0	0	111.4	I256 Q258 I262 Q263 I268 F276 F369	I256-L260 HydrophobicContact CG2-CD1 3.91Å; I256-L260 HydrophobicContact CG2-CG 4.28Å; I256-L260 WeakPolarHBondContact O-CB 3.42Å; I256-L260 VanDerWaalsContact O-CG 3.27Å; I256-L260 WeakPolarHBondContact O-CG 3.09Å; I256-L260 PolarHBondContact O-N 3.34Å; Q258-L260 VanDerWaalsContact C-N 3.31Å; Q258-L260 PolarHBondContact O-N 2.9Å; L260-I262 PolarHBondContact O-N 3.35Å; L260-Q263 PolarHBondContact O-N 3.45Å; L260-I268 HydrophobicContact CB-CD1 3.97Å; L260-I268 WeakPolarHBondContact O-CD1 3.33Å; L260-F276 HydrophobicContact CB-CD2 4.23Å; L260-F276 HydrophobicContact CB-CE2 3.98Å; L260-F276 HydrophobicContact CB-CZ 4.17Å; L260-F276 HydrophobicContact CD1-CE1 4.43Å; L260-F276 HydrophobicContact CD1-CE2 4.37Å; L260-F276 HydrophobicContact CD1-CZ 3.89Å; L260-F369 HydrophobicContact CD2-CE1 4.37Å; L260-F369 HydrophobicContact CD2-CZ 4.1Å
261	S	56.9	Low	60	Low	18 Å²	18	32.8 Å²	32.8	13%	0.126	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-30.9	175.6	-165.1	0	0	0	0	114.2	G257 Q258 Q263	G257-S261 WeakPolarHBondContact O-CB 3.42Å; G257-S261 PolarHBondContact O-N 3.04Å; Q258-S261 WeakPolarHBondContact O-CA 3.38Å; Q258-S261 WeakPolarHBondContact O-CB 3.17Å; Q258-S261 PolarHBondContact O-N 3.31Å; Q258-S261 VanDerWaalsContact O-N 3.09Å; S261-Q263 VanDerWaalsContact C-N 3.31Å
262	I	51.2	Low	59.3	Low	46 Å²	46	33.5 Å²	33.5	24%	0.236	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-15	-173.3	-67.7	157.6	0	0	0	111	Q258 M259 L260 D264 P468	Q258-I262 VanDerWaalsContact O-CD1 3.3Å; Q258-I262 WeakPolarHBondContact O-CD1 3.19Å; Q258-I262 VanDerWaalsContact O-CG1 3.24Å; Q258-I262 WeakPolarHBondContact O-CG1 3.48Å; Q258-I262 PolarHBondContact O-N 3.42Å; Q258-I262 VanDerWaalsContact O-N 3.12Å; M259-I262 PolarHBondContact O-N 2.87Å; L260-I262 PolarHBondContact O-N 3.35Å; I262-D264 PolarHBondContact O-N 2.91Å; I262-P468 HydrophobicContact CD1-CG 4.18Å; I262-P468 HydrophobicContact CG2-CB 4.14Å; I262-P468 HydrophobicContact CG2-CG 3.63Å
263	Q	50.3	Low	58.8	Low	96 Å²	96	35.9 Å²	35.9	45%	0.449	19%	0.189	S	C	.	.	S	Bend	trans	-73.4	123.8	172.3	-64.6	-173.7	-11.8	0	0	110	L260 S261	L260-Q263 PolarHBondContact O-N 3.45Å; S261-Q263 VanDerWaalsContact C-N 3.31Å
264	D	41.8	Very low	58.5	Low	45 Å²	45	42.2 Å²	42.2	24%	0.241	22%	0.216	C	C	.	.			trans	-70.5	159.3	-173.7	-150.3	-10.2	0	0	0	112.8	I262 S266 T563 L597	I262-D264 PolarHBondContact O-N 2.91Å; D264-S266 PolarHBondContact O-N 2.81Å; D264-T563 WeakPolarHBondContact OD2-CG2 3.32Å; D264-L597 VanDerWaalsContact OD2-CD2 3.28Å; D264-L597 WeakPolarHBondContact OD2-CD2 3.46Å
265	N	41.4	Very low	58.2	Low	90 Å²	90	42.5 Å²	42.5	48%	0.481	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-40	-5.4	-158.1	-59	-39.9	0	0	0	121.4	Q273	N265-Q273 PolarHBondContact OD1-NE2 2.84Å; N265-Q273 PolarHBondContact OD1-OE1 3.37Å
266	S	41.2	Very low	57.7	Low	56 Å²	56	42.6 Å²	42.6	39%	0.392	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-15.1	-169.1	51.1	0	0	0	0	115.4	D264 Q567	D264-S266 PolarHBondContact O-N 2.81Å; S266-Q567 WeakPolarHBondContact OG-CG 3.49Å
267	F	44.8	Very low	57.3	Low	63 Å²	63	46.7 Å²	46.7	28%	0.276	24%	0.237	S	C	.	.	S	Bend	trans	-109.6	-25.4	-174	-58.3	-74.1	0	0	0	114.5	V570 L574	F267-V570 HydrophobicContact CE1-CB 4.16Å; F267-V570 HydrophobicContact CE1-CG1 3.55Å; F267-V570 HydrophobicContact CE2-CG1 4.22Å; F267-V570 HydrophobicContact CZ-CB 3.53Å; F267-V570 HydrophobicContact CZ-CG1 3.19Å; F267-V570 HydrophobicContact CZ-CG2 4.01Å; F267-L574 HydrophobicContact CE1-CD1 4.07Å
268	I	50.5	Low	57.2	Low	24 Å²	24	51.1 Å²	51.1	12%	0.123	25%	0.254	C	S	.	.	S	Bend	trans	-118.4	129.5	-172.1	-64	-177.3	0	0	0	107.6	L260 L272 F276	L260-I268 HydrophobicContact CB-CD1 3.97Å; L260-I268 WeakPolarHBondContact O-CD1 3.33Å; I268-L272 HydrophobicContact CG2-CB 3.23Å; I268-L272 HydrophobicContact CG2-CD1 4.15Å; I268-L272 HydrophobicContact CG2-CG 4.32Å; I268-F276 HydrophobicContact CD1-CD2 4.36Å; I268-F276 HydrophobicContact CD1-CE2 4.17Å; I268-F276 HydrophobicContact CG2-CD2 4.17Å; I268-F276 HydrophobicContact CG2-CE2 4.11Å
269	N	54.4	Low	57.2	Low	28 Å²	28	50.1 Å²	50.1	15%	0.15	25%	0.249	C	C	.	.			trans	-49.8	135.3	177.7	179.6	-43.4	0	0	0	109.7	Q271 L272 Q273	N269-Q271 CarbonylContact O-C 3.6Å; N269-Q271 PolarHBondContact O-N 3.47Å; N269-Q271 WeakPolarHBondContact OD1-CB 3.3Å; N269-Q271 PolarHBondContact OD1-N 3.34Å; N269-L272 HydrophobicContact CB-CB 4.3Å; N269-L272 HydrophobicContact CB-CD1 4.08Å; N269-L272 HydrophobicContact CB-CG 4.32Å; N269-L272 CarbonylContact O-C 3.56Å; N269-L272 WeakPolarHBondContact O-CA 3.38Å; N269-L272 WeakPolarHBondContact O-CB 3.14Å; N269-L272 PolarHBondContact O-N 3.32Å; N269-Q273 PolarHBondContact O-N 3.49Å
270	P	58.3	Low	57	Low	66 Å²	66	52.5 Å²	52.5	43%	0.429	26%	0.257	S	S	.	.	H	α-helix	trans	-50.6	-27.8	177.9	-29.3	35	0	0	0	114.6	K274	P270-K274 WeakPolarHBondContact O-CG 3.47Å; P270-K274 PolarHBondContact O-N 2.91Å; P270-K274 VanDerWaalsContact O-N 3.1Å
271	Q	61.3	Low	56.8	Low	78 Å²	78	57.8 Å²	57.8	36%	0.364	28%	0.281	S	S	.	.	H	α-helix	trans	-70	-45.5	171.1	-65.4	-176	-41.3	0	0	112.2	L234 N269 Q273 K274 I275	L234-Q271 PolarHBondContact O-OE1 3.49Å; N269-Q271 CarbonylContact O-C 3.6Å; N269-Q271 PolarHBondContact O-N 3.47Å; N269-Q271 WeakPolarHBondContact OD1-CB 3.3Å; N269-Q271 PolarHBondContact OD1-N 3.34Å; Q271-Q273 VanDerWaalsContact C-N 3.26Å; Q271-Q273 PolarHBondContact O-N 2.92Å; Q271-K274 PolarHBondContact O-N 3.23Å; Q271-I275 VanDerWaalsContact O-CG1 3.24Å; Q271-I275 WeakPolarHBondContact O-CG1 3.32Å; Q271-I275 PolarHBondContact O-N 3.33Å
272	L	62.3	Low	56.9	Low	14 Å²	14	58.8 Å²	58.8	7%	0.073	29%	0.288	C	S	.	.	H	α-helix	trans	-60.9	-35.4	172.3	-77.9	168.3	0	0	0	112.1	L234 I268 N269 I275 F276 V362	L234-L272 HydrophobicContact CD1-CD1 4.39Å; L234-L272 HydrophobicContact CD2-CD1 4.21Å; L234-L272 HydrophobicContact CD2-CD2 3.96Å; L234-L272 HydrophobicContact CD2-CG 4.02Å; I268-L272 HydrophobicContact CG2-CB 3.23Å; I268-L272 HydrophobicContact CG2-CD1 4.15Å; I268-L272 HydrophobicContact CG2-CG 4.32Å; N269-L272 HydrophobicContact CB-CB 4.3Å; N269-L272 HydrophobicContact CB-CD1 4.08Å; N269-L272 HydrophobicContact CB-CG 4.32Å; N269-L272 CarbonylContact O-C 3.56Å; N269-L272 WeakPolarHBondContact O-CA 3.38Å; N269-L272 WeakPolarHBondContact O-CB 3.14Å; N269-L272 PolarHBondContact O-N 3.32Å; L272-I275 HydrophobicContact CD2-CD1 4.05Å; L272-I275 WeakPolarHBondContact O-CB 3.25Å; L272-I275 PolarHBondContact O-N 2.83Å; L272-F276 HydrophobicContact CB-CD2 4.49Å; L272-F276 HydrophobicContact CB-CE2 4.27Å; L272-F276 HydrophobicContact CD2-CE2 4.42Å; L272-F276 WeakPolarHBondContact O-CD2 3.32Å; L272-F276 WeakPolarHBondContact O-CG 3.28Å; L272-F276 PolarHBondContact O-N 2.89Å; L272-V362 HydrophobicContact CD1-CG2 4.36Å
273	Q	62.9	Low	57.4	Low	51 Å²	51	57.2 Å²	57.2	24%	0.238	28%	0.282	C	S	.	.	H	α-helix	trans	-63.7	-49.3	173.8	-172.7	-176.1	20.5	0	0	111.6	N265 N269 Q271 I275 F276 E277	N265-Q273 PolarHBondContact OD1-NE2 2.84Å; N265-Q273 PolarHBondContact OD1-OE1 3.37Å; N269-Q273 PolarHBondContact O-N 3.49Å; Q271-Q273 VanDerWaalsContact C-N 3.26Å; Q271-Q273 PolarHBondContact O-N 2.92Å; Q273-I275 PolarHBondContact O-N 3.19Å; Q273-F276 PolarHBondContact O-N 3Å; Q273-F276 VanDerWaalsContact O-N 3.11Å; Q273-E277 VanDerWaalsContact O-CB 3.28Å; Q273-E277 WeakPolarHBondContact O-CB 3.47Å; Q273-E277 PolarHBondContact O-N 3.26Å
274	K	65.1	Low	58.5	Low	133 Å²	133	53.3 Å²	53.3	58%	0.578	26%	0.264	S	S	*	.	H	α-helix	trans	-58.8	-36	175.3	-75.2	177.8	-178.5	178.2	0	112.3	P270 Q271 R278	P270-K274 WeakPolarHBondContact O-CG 3.47Å; P270-K274 PolarHBondContact O-N 2.91Å; P270-K274 VanDerWaalsContact O-N 3.1Å; Q271-K274 PolarHBondContact O-N 3.23Å; K274-R278 WeakPolarHBondContact O-CB 3.49Å; K274-R278 WeakPolarHBondContact O-CG 3.13Å; K274-R278 PolarHBondContact O-N 3.17Å
275	I	66.4	Low	60.5	Low	6 Å²	6	52.4 Å²	52.4	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-61.2	-54.8	172.4	-69.9	165.8	0	0	0	109.9	A239 I242 V243 Q271 L272 Q273 E277 R278 V279	A239-I275 HydrophobicContact CB-CD1 3.06Å; A239-I275 HydrophobicContact CB-CG1 3.45Å; A239-I275 VanDerWaalsContact CB-CG1 3.45Å; I242-I275 HydrophobicContact CG2-CG2 4.33Å; V243-I275 HydrophobicContact CG2-CB 3.81Å; V243-I275 HydrophobicContact CG2-CG1 4.08Å; V243-I275 HydrophobicContact CG2-CG2 3.32Å; Q271-I275 VanDerWaalsContact O-CG1 3.24Å; Q271-I275 WeakPolarHBondContact O-CG1 3.32Å; Q271-I275 PolarHBondContact O-N 3.33Å; L272-I275 HydrophobicContact CD2-CD1 4.05Å; L272-I275 WeakPolarHBondContact O-CB 3.25Å; L272-I275 PolarHBondContact O-N 2.83Å; Q273-I275 PolarHBondContact O-N 3.19Å; I275-E277 VanDerWaalsContact C-N 3.28Å; I275-E277 PolarHBondContact O-N 2.99Å; I275-R278 CarbonylContact O-C 3.58Å; I275-R278 WeakPolarHBondContact O-CB 3.28Å; I275-R278 PolarHBondContact O-N 3.1Å; I275-R278 VanDerWaalsContact O-N 3.16Å; I275-V279 HydrophobicContact CG2-CG2 4.45Å; I275-V279 WeakPolarHBondContact O-CB 3.48Å; I275-V279 VanDerWaalsContact O-CG2 3.25Å; I275-V279 WeakPolarHBondContact O-CG2 3.48Å; I275-V279 PolarHBondContact O-N 3.3Å
276	F	65.4	Low	62.7	Low	8 Å²	8	48.2 Å²	48.2	4%	0.035	24%	0.235	C	C	.	.	H	α-helix	trans	-66.4	-31.7	-176.3	-69.2	-48.1	0	0	0	112.7	L246 G257 L260 I268 L272 Q273 V279 R280	L246-F276 HydrophobicContact CD1-CE1 4.26Å; G257-F276 WeakPolarHBondContact O-CD1 3.31Å; L260-F276 HydrophobicContact CB-CD2 4.23Å; L260-F276 HydrophobicContact CB-CE2 3.98Å; L260-F276 HydrophobicContact CB-CZ 4.17Å; L260-F276 HydrophobicContact CD1-CE1 4.43Å; L260-F276 HydrophobicContact CD1-CE2 4.37Å; L260-F276 HydrophobicContact CD1-CZ 3.89Å; I268-F276 HydrophobicContact CD1-CD2 4.36Å; I268-F276 HydrophobicContact CD1-CE2 4.17Å; I268-F276 HydrophobicContact CG2-CD2 4.17Å; I268-F276 HydrophobicContact CG2-CE2 4.11Å; L272-F276 HydrophobicContact CB-CD2 4.49Å; L272-F276 HydrophobicContact CB-CE2 4.27Å; L272-F276 HydrophobicContact CD2-CE2 4.42Å; L272-F276 WeakPolarHBondContact O-CD2 3.32Å; L272-F276 WeakPolarHBondContact O-CG 3.28Å; L272-F276 PolarHBondContact O-N 2.89Å; Q273-F276 PolarHBondContact O-N 3Å; Q273-F276 VanDerWaalsContact O-N 3.11Å; F276-V279 WeakPolarHBondContact O-CB 3.46Å; F276-V279 PolarHBondContact O-N 3.28Å; F276-R280 PolarHBondContact O-N 3.4Å
277	E	64.4	Low	65.1	Low	92 Å²	92	46.1 Å²	46.1	43%	0.43	22%	0.22	S	C	.	.	H	α-helix	trans	-68.5	-41.9	172.4	-161	172.7	-148.4	0	0	111.4	Q273 I275 V279 R280 Q281	Q273-E277 VanDerWaalsContact O-CB 3.28Å; Q273-E277 WeakPolarHBondContact O-CB 3.47Å; Q273-E277 PolarHBondContact O-N 3.26Å; I275-E277 VanDerWaalsContact C-N 3.28Å; I275-E277 PolarHBondContact O-N 2.99Å; E277-V279 VanDerWaalsContact C-N 3.34Å; E277-V279 PolarHBondContact O-N 3.41Å; E277-R280 WeakPolarHBondContact O-CB 3.46Å; E277-R280 PolarHBondContact O-N 2.95Å; E277-Q281 WeakPolarHBondContact O-CG 3.42Å; E277-Q281 PolarHBondContact O-N 3.14Å; E277-Q281 VanDerWaalsContact O-N 3.1Å
278	R	66.7	Low	67.4	Low	94 Å²	94	45.8 Å²	45.8	36%	0.355	22%	0.224	S	C	.	.	H	α-helix	trans	-62.2	-40.5	170.6	-75.6	175.1	-170	-170.5	6.9	111.9	E236 E240 V243 K274 I275 R280 Q281 S282	E236-R278 IonicContact OE1-NH2 2.84Å; E240-R278 IonicContact OE1-NH1 3.45Å; E240-R278 PolarHBondContact OE1-NH1 2.91Å; V243-R278 HydrophobicContact CG1-CB 4.35Å; V243-R278 HydrophobicContact CG2-CB 4.44Å; K274-R278 WeakPolarHBondContact O-CB 3.49Å; K274-R278 WeakPolarHBondContact O-CG 3.13Å; K274-R278 PolarHBondContact O-N 3.17Å; I275-R278 CarbonylContact O-C 3.58Å; I275-R278 WeakPolarHBondContact O-CB 3.28Å; I275-R278 PolarHBondContact O-N 3.1Å; I275-R278 VanDerWaalsContact O-N 3.16Å; R278-R280 VanDerWaalsContact C-N 3.29Å; R278-R280 PolarHBondContact O-N 3.4Å; R278-Q281 CarbonylContact O-C 3.6Å; R278-Q281 PolarHBondContact O-N 3.32Å; R278-Q281 VanDerWaalsContact O-N 3.16Å; R278-S282 WeakPolarHBondContact O-CB 3.24Å; R278-S282 PolarHBondContact O-N 3.43Å; R278-S282 PolarHBondContact O-OG 2.86Å
279	V	66.3	Low	69.4	Low	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-40	175.2	165.1	0	0	0	0	110.5	V243 L246 L254 I275 F276 E277 Q281	V243-V279 HydrophobicContact CB-CG2 3.98Å; V243-V279 HydrophobicContact CG1-CG2 3.75Å; V243-V279 HydrophobicContact CG2-CG2 3.91Å; L246-V279 HydrophobicContact CB-CG1 4.48Å; L246-V279 HydrophobicContact CB-CG2 4.35Å; L246-V279 HydrophobicContact CD1-CG2 4.12Å; L254-V279 HydrophobicContact CD1-CB 4.39Å; L254-V279 HydrophobicContact CD1-CG1 3.11Å; L254-V279 WeakPolarHBondContact CD1-O 3.28Å; I275-V279 HydrophobicContact CG2-CG2 4.45Å; I275-V279 WeakPolarHBondContact O-CB 3.48Å; I275-V279 VanDerWaalsContact O-CG2 3.25Å; I275-V279 WeakPolarHBondContact O-CG2 3.48Å; I275-V279 PolarHBondContact O-N 3.3Å; F276-V279 WeakPolarHBondContact O-CB 3.46Å; F276-V279 PolarHBondContact O-N 3.28Å; E277-V279 VanDerWaalsContact C-N 3.34Å; E277-V279 PolarHBondContact O-N 3.41Å; V279-Q281 VanDerWaalsContact C-N 3.35Å; V279-Q281 PolarHBondContact O-N 3.21Å
280	R	62.5	Low	71.3	Confident	78 Å²	78	50.1 Å²	50.1	29%	0.294	24%	0.237	S	C	.	.	H	α-helix	trans	-64.1	-36.7	173.7	-171.7	178	176.7	-158.5	-5.7	112.9	Q258 F276 E277 R278 D433 N469	Q258-R280 HydrophobicContact CG-CB 4.34Å; Q258-R280 HydrophobicContact CG-CG 4.45Å; F276-R280 PolarHBondContact O-N 3.4Å; E277-R280 WeakPolarHBondContact O-CB 3.46Å; E277-R280 PolarHBondContact O-N 2.95Å; R278-R280 VanDerWaalsContact C-N 3.29Å; R278-R280 PolarHBondContact O-N 3.4Å; R280-D433 IonicContact NH2-OD2 3.43Å; R280-N469 PolarHBondContact NH2-OD1 3.08Å
281	Q	58.7	Low	73	Confident	128 Å²	128	47 Å²	47	60%	0.598	22%	0.216	S	C	*	.	H	α-helix	trans	-87.3	-17.6	-177.8	-67	174.7	-2.3	0	0	114.2	E277 R278 V279	E277-Q281 WeakPolarHBondContact O-CG 3.42Å; E277-Q281 PolarHBondContact O-N 3.14Å; E277-Q281 VanDerWaalsContact O-N 3.1Å; R278-Q281 CarbonylContact O-C 3.6Å; R278-Q281 PolarHBondContact O-N 3.32Å; R278-Q281 VanDerWaalsContact O-N 3.16Å; V279-Q281 VanDerWaalsContact C-N 3.35Å; V279-Q281 PolarHBondContact O-N 3.21Å
282	S	58.9	Low	74.6	Confident	38 Å²	38	45.1 Å²	45.1	27%	0.266	21%	0.21	S	C	.	.			trans	-110.4	96.6	-172.5	-53.8	0	0	0	0	109.7	C247 R278	C247-S282 PolarHBondContact SG-O 3.07Å; R278-S282 WeakPolarHBondContact O-CB 3.24Å; R278-S282 PolarHBondContact O-N 3.43Å; R278-S282 PolarHBondContact O-OG 2.86Å
283	A	62.1	Low	76.1	Confident	14 Å²	14	49.9 Å²	49.9	12%	0.116	23%	0.23	C	C	.	.			trans	-125	112.2	173	0	0	0	0	0	110	A178 A317	A178-A283 WeakPolarHBondContact CB-O 3.27Å; A283-A317 HydrophobicContact CB-CB 3.38Å
284	D	73.4	Confident	77.7	Confident	13 Å²	13	47.6 Å²	47.6	7%	0.07	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-71.9	145.3	168.1	-73.4	-26.2	0	0	0	109.4	K179 R181 R250 Y340	K179-D284 PolarHBondContact N-OD1 3.2Å; K179-D284 WeakPolarHBondContact O-CA 3.43Å; K179-D284 WeakPolarHBondContact O-CB 3.38Å; R181-D284 HydrophobicContact CB-CB 4.28Å; R181-D284 WeakPolarHBondContact CD-OD2 3.3Å; R181-D284 HydrophobicContact CG-CB 4.38Å; R181-D284 IonicContact CZ-OD2 3.94Å; R181-D284 IonicContact NE-OD2 3.68Å; R181-D284 PolarHBondContact NE-OD2 2.83Å; R181-D284 IonicContact NH1-OD2 2.87Å; R181-D284 PolarHBondContact NH1-OD2 3Å; R250-D284 WeakPolarHBondContact CD-O 3.5Å; R250-D284 PolarHBondContact NH1-O 3.33Å; D284-Y340 PolarHBondContact O-OH 2.69Å
285	F	82.9	Confident	79.1	Confident	26 Å²	26	41.2 Å²	41.2	11%	0.114	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-99.4	153.9	179.5	60.9	-86.9	0	0	0	111.7	L174 A178 K179 E180 R181 R250 P314	L174-F285 HydrophobicContact CD1-CD1 3.78Å; L174-F285 HydrophobicContact CD1-CE1 4.11Å; L174-F285 HydrophobicContact CD1-CG 4.45Å; A178-F285 HydrophobicContact CB-CD1 4.49Å; K179-F285 PolarHBondContact O-N 2.87Å; K179-F285 VanDerWaalsContact O-N 3.16Å; E180-F285 HydrophobicContact CB-CD2 4.22Å; E180-F285 HydrophobicContact CB-CE1 4.4Å; E180-F285 HydrophobicContact CB-CE2 3.52Å; E180-F285 HydrophobicContact CB-CZ 3.63Å; E180-F285 HydrophobicContact CG-CD2 4.15Å; E180-F285 HydrophobicContact CG-CE2 3.69Å; E180-F285 HydrophobicContact CG-CZ 4.32Å; R181-F285 PolarHBondContact N-O 3.14Å; R250-F285 VanDerWaalsContact NH1-C 3.3Å; R250-F285 PolarHBondContact NH1-O 3.06Å; F285-P314 HydrophobicContact CB-CG 3.53Å; F285-P314 HydrophobicContact CD2-CG 4Å; F285-P314 HydrophobicContact CG-CG 3.83Å
286	M	88.9	Confident	80.5	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-80.5	148.8	177.7	69	170.1	162.6	0	0	111.7	V183 Q290 M291 Q322 I338 Y340	V183-M286 HydrophobicContact CG2-CB 3.72Å; M286-Q290 HydrophobicContact CB-CB 4.3Å; M286-Q290 HydrophobicContact CG-CB 4.27Å; M286-Q290 HydrophobicContact SD-CB 3.63Å; M286-M291 HydrophobicContact CE-CB 3.72Å; M286-M291 HydrophobicContact CE-CG 4.21Å; M286-M291 HydrophobicContact CG-CB 4.49Å; M286-M291 HydrophobicContact SD-CB 4.37Å; M286-Q322 HydrophobicContact CE-CG 4.11Å; M286-Q322 VanDerWaalsContact CG-CD 3.46Å; M286-Q322 VanDerWaalsContact CG-NE2 3.33Å; M286-Q322 VanDerWaalsContact CG-OE1 3.26Å; M286-I338 HydrophobicContact CE-CB 4.35Å; M286-I338 HydrophobicContact CE-CG2 3.73Å; M286-Y340 HydrophobicContact CB-CD1 4.09Å; M286-Y340 HydrophobicContact CB-CE1 4.11Å; M286-Y340 HydrophobicContact CE-CD1 4.37Å; M286-Y340 HydrophobicContact CG-CD1 4.01Å; M286-Y340 HydrophobicContact CG-CE1 4.09Å; M286-Y340 HydrophobicContact SD-CD1 3.96Å
287	P	90.8	Very high	82	Confident	12 Å²	12	50 Å²	50	8%	0.078	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-57.7	151.4	173.9	-26.5	34.9	0	0	0	113.5	E180 R181 W289 Q290 M291	E180-P287 HydrophobicContact CG-CB 4.38Å; E180-P287 HydrophobicContact CG-CG 4.06Å; E180-P287 WeakPolarHBondContact OE1-CA 3.45Å; E180-P287 WeakPolarHBondContact OE1-CB 3.38Å; R181-P287 WeakPolarHBondContact O-CD 3.42Å; P287-W289 VanDerWaalsContact CB-CD1 3.43Å; P287-W289 HydrophobicContact CB-CG 4.35Å; P287-W289 PolarHBondContact O-N 2.79Å; P287-W289 VanDerWaalsContact O-N 3.13Å; P287-Q290 PolarHBondContact O-N 3.02Å; P287-M291 PolarHBondContact O-N 3.43Å
288	T	92.6	Very high	83.4	Confident	57 Å²	57	47.8 Å²	47.8	35%	0.35	22%	0.223	S	C	.	.	H	α-helix	trans	-52.7	-38.4	179.4	-50.3	0	0	0	0	112.5	Q290 M291 T292 D312	T288-Q290 PolarHBondContact O-N 3.49Å; T288-M291 HydrophobicContact CG2-CE 3.9Å; T288-M291 WeakPolarHBondContact O-CB 3.41Å; T288-M291 PolarHBondContact O-N 2.84Å; T288-T292 WeakPolarHBondContact O-CB 3.17Å; T288-T292 PolarHBondContact O-N 2.89Å; T288-T292 PolarHBondContact O-OG1 2.82Å; T288-D312 HydrophobicContact CG2-CB 4.04Å
289	W	93.6	Very high	84.8	Confident	139 Å²	139	44.4 Å²	44.4	53%	0.527	21%	0.211	S	C	.	.	H	α-helix	trans	-65.6	-33.8	179.9	71.8	-95.5	0	0	0	113.5	K182 P287 K293	K182-W289 HydrophobicContact CD-CZ2 4.03Å; K182-W289 HydrophobicContact CG-CZ2 4.14Å; P287-W289 VanDerWaalsContact CB-CD1 3.43Å; P287-W289 HydrophobicContact CB-CG 4.35Å; P287-W289 PolarHBondContact O-N 2.79Å; P287-W289 VanDerWaalsContact O-N 3.13Å; W289-K293 WeakPolarHBondContact O-CB 3.48Å; W289-K293 PolarHBondContact O-N 3.11Å; W289-K293 VanDerWaalsContact O-N 3.12Å
290	Q	93.3	Very high	86.2	Confident	4 Å²	4	45.5 Å²	45.5	2%	0.019	22%	0.223	C	C	.	.	H	α-helix	trans	-70.9	-41.9	175.1	-71	-166.7	-73	0	0	110.4	V183 M286 P287 T288 K293 V294 P341	V183-Q290 PolarHBondContact O-NE2 3.42Å; M286-Q290 HydrophobicContact CB-CB 4.3Å; M286-Q290 HydrophobicContact CG-CB 4.27Å; M286-Q290 HydrophobicContact SD-CB 3.63Å; P287-Q290 PolarHBondContact O-N 3.02Å; T288-Q290 PolarHBondContact O-N 3.49Å; Q290-K293 PolarHBondContact O-N 2.95Å; Q290-V294 WeakPolarHBondContact O-CG2 3.09Å; Q290-V294 PolarHBondContact O-N 3.25Å; Q290-V294 VanDerWaalsContact O-N 3.16Å; Q290-P341 HydrophobicContact CB-CG 4.45Å
291	M	94.7	Very high	87.6	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-51.5	175.4	177.8	-139.8	64.9	0	0	111.5	M286 P287 T288 K293 V294 L295 F310 H324 I338	M286-M291 HydrophobicContact CE-CB 3.72Å; M286-M291 HydrophobicContact CE-CG 4.21Å; M286-M291 HydrophobicContact CG-CB 4.49Å; M286-M291 HydrophobicContact SD-CB 4.37Å; P287-M291 PolarHBondContact O-N 3.43Å; T288-M291 HydrophobicContact CG2-CE 3.9Å; T288-M291 WeakPolarHBondContact O-CB 3.41Å; T288-M291 PolarHBondContact O-N 2.84Å; M291-K293 VanDerWaalsContact C-N 3.26Å; M291-K293 PolarHBondContact O-N 3.08Å; M291-V294 PolarHBondContact O-N 2.97Å; M291-V294 VanDerWaalsContact O-N 3.15Å; M291-L295 HydrophobicContact CE-CD1 3.93Å; M291-L295 HydrophobicContact CG-CD1 4.03Å; M291-L295 WeakPolarHBondContact O-CG 3.2Å; M291-L295 PolarHBondContact O-N 3.02Å; M291-L295 HydrophobicContact SD-CD1 4.12Å; M291-F310 HydrophobicContact CE-CE1 3.94Å; M291-F310 HydrophobicContact SD-CE1 3.58Å; M291-F310 VanDerWaalsContact SD-CE1 3.58Å; M291-F310 HydrophobicContact SD-CZ 3.77Å; M291-H324 PolarHBondContact SD-CE1 3.33Å; M291-I338 HydrophobicContact CG-CD1 3.52Å; M291-I338 HydrophobicContact SD-CD1 4.17Å
292	T	94.4	Very high	89.1	Confident	38 Å²	38	42.6 Å²	42.6	23%	0.233	23%	0.23	C	C	.	.	H	α-helix	trans	-59.9	-38.7	179.5	-59.7	0	0	0	0	111.4	T288 L295 Q296	T288-T292 WeakPolarHBondContact O-CB 3.17Å; T288-T292 PolarHBondContact O-N 2.89Å; T288-T292 PolarHBondContact O-OG1 2.82Å; T292-L295 PolarHBondContact O-N 3.01Å; T292-Q296 HydrophobicContact CG2-CG 4.21Å; T292-Q296 WeakPolarHBondContact O-CB 3.17Å; T292-Q296 VanDerWaalsContact O-CG 3.28Å; T292-Q296 WeakPolarHBondContact O-CG 3.36Å; T292-Q296 PolarHBondContact O-N 3.25Å
293	K	94.6	Very high	90.8	Very high	115 Å²	115	41.3 Å²	41.3	50%	0.5	22%	0.219	S	C	.	.	H	α-helix	trans	-59.7	-48.3	175.3	-179.9	173.6	175.7	173.2	0	111.7	W289 Q290 M291 L295 Q296 E297	W289-K293 WeakPolarHBondContact O-CB 3.48Å; W289-K293 PolarHBondContact O-N 3.11Å; W289-K293 VanDerWaalsContact O-N 3.12Å; Q290-K293 PolarHBondContact O-N 2.95Å; M291-K293 VanDerWaalsContact C-N 3.26Å; M291-K293 PolarHBondContact O-N 3.08Å; K293-L295 PolarHBondContact O-N 3.11Å; K293-Q296 PolarHBondContact O-N 3.13Å; K293-E297 WeakPolarHBondContact CE-OE1 3.49Å; K293-E297 WeakPolarHBondContact CG-OE1 3.46Å; K293-E297 IonicContact NZ-OE1 3.39Å; K293-E297 VanDerWaalsContact O-CG 3.3Å; K293-E297 WeakPolarHBondContact O-CG 3.03Å; K293-E297 PolarHBondContact O-N 3.36Å
294	V	95.3	Very high	92.4	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.012	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-44.3	177.6	175.5	0	0	0	0	111.1	Q290 M291 Q296 E297 E298 I338 P341 R420 V421	Q290-V294 WeakPolarHBondContact O-CG2 3.09Å; Q290-V294 PolarHBondContact O-N 3.25Å; Q290-V294 VanDerWaalsContact O-N 3.16Å; M291-V294 PolarHBondContact O-N 2.97Å; M291-V294 VanDerWaalsContact O-N 3.15Å; V294-Q296 PolarHBondContact O-N 3.27Å; V294-E297 PolarHBondContact O-N 3.16Å; V294-E298 HydrophobicContact CG1-CG 4.41Å; V294-E298 WeakPolarHBondContact O-CB 3.37Å; V294-E298 WeakPolarHBondContact O-CG 3.33Å; V294-E298 PolarHBondContact O-N 3.37Å; V294-I338 HydrophobicContact CB-CG2 4.1Å; V294-I338 HydrophobicContact CG1-CG2 3.78Å; V294-P341 HydrophobicContact CG2-CB 4.26Å; V294-R420 HydrophobicContact CG1-CB 4.13Å; V294-V421 HydrophobicContact CG1-CG2 4.32Å
295	L	96.3	Very high	93.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-63.2	-42.2	178.6	-71.1	169	0	0	0	112.5	M291 T292 K293 E298 L299 W303 F310 M336 I338 V421	M291-L295 HydrophobicContact CE-CD1 3.93Å; M291-L295 HydrophobicContact CG-CD1 4.03Å; M291-L295 WeakPolarHBondContact O-CG 3.2Å; M291-L295 PolarHBondContact O-N 3.02Å; M291-L295 HydrophobicContact SD-CD1 4.12Å; T292-L295 PolarHBondContact O-N 3.01Å; K293-L295 PolarHBondContact O-N 3.11Å; L295-E298 PolarHBondContact O-N 2.62Å; L295-L299 HydrophobicContact CD2-CD1 3.92Å; L295-L299 WeakPolarHBondContact O-CA 3.46Å; L295-L299 WeakPolarHBondContact O-CB 3.27Å; L295-L299 PolarHBondContact O-N 2.87Å; L295-W303 HydrophobicContact CB-CD2 4.04Å; L295-W303 HydrophobicContact CB-CG 4.19Å; L295-W303 HydrophobicContact CB-CZ2 4.31Å; L295-W303 HydrophobicContact CD1-CD2 4.16Å; L295-W303 HydrophobicContact CD1-CE3 4.17Å; L295-W303 HydrophobicContact CD1-CH2 3.54Å; L295-W303 HydrophobicContact CD1-CZ2 3.51Å; L295-W303 HydrophobicContact CD1-CZ3 3.87Å; L295-F310 HydrophobicContact CD1-CZ 4.2Å; L295-M336 HydrophobicContact CD2-SD 3.63Å; L295-I338 HydrophobicContact CD1-CD1 3.81Å; L295-I338 HydrophobicContact CD2-CD1 3.8Å; L295-I338 HydrophobicContact CD2-CG1 4.14Å; L295-I338 HydrophobicContact CG-CD1 3.91Å; L295-V421 HydrophobicContact CD2-CG1 4.12Å; L295-V421 HydrophobicContact CD2-CG2 3.93Å
296	Q	95.7	Very high	93.8	Very high	97 Å²	97	55.4 Å²	55.4	45%	0.453	28%	0.276	S	S	.	.	H	α-helix	trans	-65.3	-40.7	177.4	-75.7	177.4	-17.7	0	0	112.3	T292 K293 V294 G300	T292-Q296 HydrophobicContact CG2-CG 4.21Å; T292-Q296 WeakPolarHBondContact O-CB 3.17Å; T292-Q296 VanDerWaalsContact O-CG 3.28Å; T292-Q296 WeakPolarHBondContact O-CG 3.36Å; T292-Q296 PolarHBondContact O-N 3.25Å; K293-Q296 PolarHBondContact O-N 3.13Å; V294-Q296 PolarHBondContact O-N 3.27Å; Q296-G300 CarbonylContact O-C 3.46Å; Q296-G300 WeakPolarHBondContact O-CA 3.48Å; Q296-G300 PolarHBondContact O-N 3.49Å
297	E	95.1	Very high	94.2	Very high	100 Å²	100	56 Å²	56	47%	0.467	28%	0.279	S	S	.	.	H	α-helix	trans	-66.9	-36.9	177.8	-71.6	171.7	-174.9	0	0	112.4	K293 V294 R420	K293-E297 WeakPolarHBondContact CE-OE1 3.49Å; K293-E297 WeakPolarHBondContact CG-OE1 3.46Å; K293-E297 IonicContact NZ-OE1 3.39Å; K293-E297 VanDerWaalsContact O-CG 3.3Å; K293-E297 WeakPolarHBondContact O-CG 3.03Å; K293-E297 PolarHBondContact O-N 3.36Å; V294-E297 PolarHBondContact O-N 3.16Å; E297-R420 IonicContact OE2-CZ 3.58Å; E297-R420 VanDerWaalsContact OE2-CZ 3.25Å; E297-R420 IonicContact OE2-NH1 2.91Å; E297-R420 PolarHBondContact OE2-NH1 3.46Å; E297-R420 IonicContact OE2-NH2 3.72Å; E297-R420 PolarHBondContact OE2-NH2 3.46Å
298	E	95.6	Very high	94.5	Very high	46 Å²	46	59.5 Å²	59.5	22%	0.215	30%	0.304	C	S	.	.	H	α-helix	trans	-90.6	-38.4	-175.3	-70.7	-67.8	126.8	0	0	114.4	V294 L295 A418 R419 R420 V421	V294-E298 HydrophobicContact CG1-CG 4.41Å; V294-E298 WeakPolarHBondContact O-CB 3.37Å; V294-E298 WeakPolarHBondContact O-CG 3.33Å; V294-E298 PolarHBondContact O-N 3.37Å; L295-E298 PolarHBondContact O-N 2.62Å; E298-A418 HydrophobicContact CB-CB 3.91Å; E298-A418 HydrophobicContact CG-CB 4.46Å; E298-A418 WeakPolarHBondContact OE2-CB 3.28Å; E298-R419 WeakPolarHBondContact OE2-CA 3.3Å; E298-R419 WeakPolarHBondContact OE2-CB 3.49Å; E298-R419 PolarHBondContact OE2-N 2.65Å; E298-R420 HydrophobicContact CG-CB 3.82Å; E298-R420 IonicContact OE1-CZ 3.9Å; E298-R420 IonicContact OE1-NE 3.73Å; E298-R420 PolarHBondContact OE1-NE 3Å; E298-R420 IonicContact OE1-NH2 3.44Å; E298-R420 PolarHBondContact OE1-NH2 2.9Å; E298-R420 PolarHBondContact OE2-N 3.01Å; E298-V421 HydrophobicContact CB-CG2 4.02Å; E298-V421 HydrophobicContact CG-CG2 4.14Å
299	L	95.8	Very high	94.7	Very high	23 Å²	23	59.5 Å²	59.5	12%	0.12	31%	0.306	C	S	.	.	H	α-helix	trans	-113.1	-4.5	-171.5	-57	-179.9	0	0	0	112.9	L295 W303 L416 A418 V421	L295-L299 HydrophobicContact CD2-CD1 3.92Å; L295-L299 WeakPolarHBondContact O-CA 3.46Å; L295-L299 WeakPolarHBondContact O-CB 3.27Å; L295-L299 PolarHBondContact O-N 2.87Å; L299-W303 HydrophobicContact CB-CB 3.56Å; L299-W303 HydrophobicContact CD1-CB 4.17Å; L299-L416 HydrophobicContact CD1-CD2 4.1Å; L299-A418 HydrophobicContact CD2-CB 4.03Å; L299-V421 HydrophobicContact CD1-CG1 4.19Å
300	G	95	Very high	94.8	Very high	24 Å²	24	53.6 Å²	53.6	25%	0.247	28%	0.284	C	S	.	.			trans	83.8	169.6	-177.4	0	0	0	0	0	113.8	Q296 G302 W303	Q296-G300 CarbonylContact O-C 3.46Å; Q296-G300 WeakPolarHBondContact O-CA 3.48Å; Q296-G300 PolarHBondContact O-N 3.49Å; G300-G302 VanDerWaalsContact C-N 3.26Å; G300-G302 PolarHBondContact O-N 3.44Å; G300-W303 VanDerWaalsContact O-CD1 3.26Å; G300-W303 PolarHBondContact O-N 3.25Å
301	P	91.3	Very high	94.9	Very high	119 Å²	119	57.2 Å²	57.2	77%	0.773	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-27	-175	24.9	-33.9	0	0	0	113.8	W303	P301-W303 VanDerWaalsContact C-N 3.35Å; P301-W303 PolarHBondContact O-N 3.45Å
302	G	92.1	Very high	94.7	Very high	26 Å²	26	60.5 Å²	60.5	27%	0.268	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	12.5	179.2	0	0	0	0	0	115	G300 R304 E305	G300-G302 VanDerWaalsContact C-N 3.26Å; G300-G302 PolarHBondContact O-N 3.44Å; G302-R304 PolarHBondContact O-N 2.91Å; G302-R304 VanDerWaalsContact O-N 3.12Å; G302-E305 WeakPolarHBondContact O-CB 3.32Å; G302-E305 PolarHBondContact O-N 2.73Å
303	W	94.6	Very high	94.5	Very high	10 Å²	10	65.4 Å²	65.4	4%	0.038	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-54.6	-36	-176.6	71.4	-95.9	0	0	0	113	L295 L299 G300 P301 E305 K306 L307 F310	L295-W303 HydrophobicContact CB-CD2 4.04Å; L295-W303 HydrophobicContact CB-CG 4.19Å; L295-W303 HydrophobicContact CB-CZ2 4.31Å; L295-W303 HydrophobicContact CD1-CD2 4.16Å; L295-W303 HydrophobicContact CD1-CE3 4.17Å; L295-W303 HydrophobicContact CD1-CH2 3.54Å; L295-W303 HydrophobicContact CD1-CZ2 3.51Å; L295-W303 HydrophobicContact CD1-CZ3 3.87Å; L299-W303 HydrophobicContact CB-CB 3.56Å; L299-W303 HydrophobicContact CD1-CB 4.17Å; G300-W303 VanDerWaalsContact O-CD1 3.26Å; G300-W303 PolarHBondContact O-N 3.25Å; P301-W303 VanDerWaalsContact C-N 3.35Å; P301-W303 PolarHBondContact O-N 3.45Å; W303-E305 VanDerWaalsContact C-N 3.26Å; W303-E305 PolarHBondContact O-N 2.96Å; W303-K306 WeakPolarHBondContact O-CB 3.5Å; W303-K306 PolarHBondContact O-N 3.43Å; W303-L307 HydrophobicContact CE3-CD1 4.08Å; W303-L307 HydrophobicContact CZ3-CD1 3.82Å; W303-F310 AromaticContact CH2-CD1 3.73Å; W303-F310 HydrophobicContact CH2-CD1 3.73Å; W303-F310 HydrophobicContact CH2-CD2 4.44Å; W303-F310 AromaticContact CH2-CE1 3.89Å; W303-F310 HydrophobicContact CH2-CE1 3.89Å; W303-F310 HydrophobicContact CH2-CG 4.02Å; W303-F310 HydrophobicContact CH2-CZ 4.3Å; W303-F310 HydrophobicContact CZ3-CB 4.43Å; W303-F310 HydrophobicContact CZ3-CD1 4.12Å; W303-F310 HydrophobicContact CZ3-CD2 4.02Å; W303-F310 HydrophobicContact CZ3-CE1 4.37Å; W303-F310 HydrophobicContact CZ3-CE2 4.27Å; W303-F310 AromaticContact CZ3-CG 3.92Å; W303-F310 HydrophobicContact CZ3-CG 3.92Å; W303-F310 HydrophobicContact CZ3-CZ 4.43Å
304	R	94.3	Very high	94.4	Very high	132 Å²	132	60.2 Å²	60.2	50%	0.498	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-68.7	-27.3	-178.3	-155.9	174.4	-158.4	-89.3	2	112.3	G302 K306 L307	G302-R304 PolarHBondContact O-N 2.91Å; G302-R304 VanDerWaalsContact O-N 3.12Å; R304-K306 PolarHBondContact O-N 2.82Å; R304-L307 PolarHBondContact O-N 2.94Å; R304-L307 VanDerWaalsContact O-N 3.17Å
305	E	93.8	Very high	94	Very high	145 Å²	145	61.6 Å²	61.6	68%	0.678	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-70.3	-15.1	178	-58.7	175	-173.5	0	0	112.5	G302 W303 L307 K329	G302-E305 WeakPolarHBondContact O-CB 3.32Å; G302-E305 PolarHBondContact O-N 2.73Å; W303-E305 VanDerWaalsContact C-N 3.26Å; W303-E305 PolarHBondContact O-N 2.96Å; E305-L307 VanDerWaalsContact C-N 3.28Å; E305-K329 WeakPolarHBondContact O-CE 3.34Å; E305-K329 PolarHBondContact O-NZ 2.96Å
306	K	93.1	Very high	93.3	Very high	72 Å²	72	61.8 Å²	61.8	31%	0.313	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-78.9	-13.9	174.2	-61.8	176.3	174.2	177.3	0	112.5	W303 R304 E415 L416	W303-K306 WeakPolarHBondContact O-CB 3.5Å; W303-K306 PolarHBondContact O-N 3.43Å; R304-K306 PolarHBondContact O-N 2.82Å; K306-E415 PolarHBondContact NZ-O 3.38Å; K306-L416 HydrophobicContact CB-CD2 3.99Å; K306-L416 HydrophobicContact CD-CD2 3.67Å; K306-L416 HydrophobicContact CD-CG 4.48Å; K306-L416 HydrophobicContact CG-CD2 4.49Å
307	L	96.3	Very high	92.3	Very high	14 Å²	14	58.6 Å²	58.6	7%	0.073	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	145.3	-176	-64.8	166.7	0	0	0	111	W303 R304 E305 F310 V327 L328 I334 M336 L416	W303-L307 HydrophobicContact CE3-CD1 4.08Å; W303-L307 HydrophobicContact CZ3-CD1 3.82Å; R304-L307 PolarHBondContact O-N 2.94Å; R304-L307 VanDerWaalsContact O-N 3.17Å; E305-L307 VanDerWaalsContact C-N 3.28Å; L307-F310 HydrophobicContact CD1-CB 4.02Å; L307-F310 HydrophobicContact CD1-CD2 3.82Å; L307-F310 HydrophobicContact CD1-CG 4.25Å; L307-V327 CarbonylContact C-O 3.56Å; L307-V327 WeakPolarHBondContact CA-O 3.32Å; L307-L328 HydrophobicContact CD2-CD2 4.05Å; L307-I334 HydrophobicContact CD2-CD1 3.71Å; L307-I334 HydrophobicContact CD2-CG1 4.49Å; L307-M336 HydrophobicContact CD1-CE 4Å; L307-L416 HydrophobicContact CD2-CD1 3.66Å; L307-L416 HydrophobicContact CG-CD1 4.26Å
308	S	96.9	Very high	91.3	Very high	87 Å²	87	55 Å²	55	61%	0.608	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	-39.9	166.2	-175.2	0	0	0	0	111	V327 L328	S308-V327 PolarHBondContact N-O 3.41Å; S308-L328 WeakPolarHBondContact CB-O 3.36Å
309	S	96.8	Very high	90.2	Very high	56 Å²	56	53.4 Å²	53.4	39%	0.392	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	153.9	175.2	65.4	0	0	0	0	111.4	G326 V327	S309-G326 CarbonylContact O-C 3.57Å; S309-G326 WeakPolarHBondContact O-CA 3.39Å; S309-V327 PolarHBondContact N-O 3.13Å; S309-V327 PolarHBondContact O-N 3.23Å; S309-V327 WeakPolarHBondContact OG-CB 3.31Å; S309-V327 VanDerWaalsContact OG-CG2 3.23Å; S309-V327 WeakPolarHBondContact OG-CG2 3.38Å
310	F	96.5	Very high	89.7	Confident	15 Å²	15	52.4 Å²	52.4	7%	0.066	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	131.2	177.7	-178.6	-97.4	0	0	0	109.6	M291 L295 W303 L307 D312 H324 M336 I338	M291-F310 HydrophobicContact CE-CE1 3.94Å; M291-F310 HydrophobicContact SD-CE1 3.58Å; M291-F310 VanDerWaalsContact SD-CE1 3.58Å; M291-F310 HydrophobicContact SD-CZ 3.77Å; L295-F310 HydrophobicContact CD1-CZ 4.2Å; W303-F310 AromaticContact CH2-CD1 3.73Å; W303-F310 HydrophobicContact CH2-CD1 3.73Å; W303-F310 HydrophobicContact CH2-CD2 4.44Å; W303-F310 AromaticContact CH2-CE1 3.89Å; W303-F310 HydrophobicContact CH2-CE1 3.89Å; W303-F310 HydrophobicContact CH2-CG 4.02Å; W303-F310 HydrophobicContact CH2-CZ 4.3Å; W303-F310 HydrophobicContact CZ3-CB 4.43Å; W303-F310 HydrophobicContact CZ3-CD1 4.12Å; W303-F310 HydrophobicContact CZ3-CD2 4.02Å; W303-F310 HydrophobicContact CZ3-CE1 4.37Å; W303-F310 HydrophobicContact CZ3-CE2 4.27Å; W303-F310 AromaticContact CZ3-CG 3.92Å; W303-F310 HydrophobicContact CZ3-CG 3.92Å; W303-F310 HydrophobicContact CZ3-CZ 4.43Å; L307-F310 HydrophobicContact CD1-CB 4.02Å; L307-F310 HydrophobicContact CD1-CD2 3.82Å; L307-F310 HydrophobicContact CD1-CG 4.25Å; F310-D312 WeakPolarHBondContact CD1-OD1 3.28Å; F310-H324 HydrophobicContact CE1-CB 4.42Å; F310-H324 AromaticContact CE1-ND1 3.99Å; F310-H324 HydrophobicContact CE2-CB 3.54Å; F310-H324 HydrophobicContact CZ-CB 3.47Å; F310-H324 VanDerWaalsContact CZ-CB 3.47Å; F310-H324 AromaticContact CZ-CG 3.59Å; F310-H324 AromaticContact CZ-ND1 3.69Å; F310-M336 HydrophobicContact CE2-CB 4.44Å; F310-M336 HydrophobicContact CE2-CE 4.45Å; F310-M336 HydrophobicContact CE2-SD 3.79Å; F310-I338 HydrophobicContact CZ-CD1 4.22Å
311	E	94.9	Very high	89.4	Confident	81 Å²	81	51.3 Å²	51.3	38%	0.379	28%	0.277	S	S	.	.			trans	-89.7	108.7	176.5	-67.7	-179	-151.1	0	0	110.2	R171 K313 H324 H325	R171-E311 IonicContact NH1-OE1 3.77Å; R171-E311 PolarHBondContact NH1-OE1 3.1Å; E311-K313 PolarHBondContact O-N 3.18Å; E311-H324 PolarHBondContact O-ND1 3.3Å; E311-H325 HydrophobicContact CB-CB 4.24Å; E311-H325 HydrophobicContact CG-CB 4.21Å; E311-H325 PolarHBondContact N-O 3.47Å; E311-H325 IonicContact OE1-CE1 3.23Å; E311-H325 IonicContact OE1-CG 3.51Å; E311-H325 IonicContact OE1-ND1 2.79Å; E311-H325 PolarHBondContact OE1-ND1 2.94Å
312	D	91.6	Very high	89.3	Confident	69 Å²	69	45.6 Å²	45.6	37%	0.369	24%	0.24	S	C	.	.	S	Bend	trans	-63.8	-23.3	179.8	-65.2	-32	0	0	0	112.8	T288 F310 H324	T288-D312 HydrophobicContact CG2-CB 4.04Å; F310-D312 WeakPolarHBondContact CD1-OD1 3.28Å; D312-H324 PolarHBondContact O-CE1 2.72Å; D312-H324 PolarHBondContact O-ND1 3.29Å
313	K	89.8	Confident	89.3	Confident	141 Å²	141	45.4 Å²	45.4	61%	0.613	23%	0.234	S	C	*	.	S	Bend	trans	-87.1	122.8	172.7	-172.3	176.2	180	178.3	0	108.9	E311	E311-K313 PolarHBondContact O-N 3.18Å
314	P	91.1	Very high	89.3	Confident	5 Å²	5	45 Å²	45	3%	0.032	23%	0.232	C	C	.	.			trans	-67.4	150	176.7	24.7	-27.9	0	0	0	110.7	L174 F285 Q322 V323	L174-P314 HydrophobicContact CD1-CG 4.33Å; L174-P314 WeakPolarHBondContact CD1-O 3.3Å; F285-P314 HydrophobicContact CB-CG 3.53Å; F285-P314 HydrophobicContact CD2-CG 4Å; F285-P314 HydrophobicContact CG-CG 3.83Å; P314-Q322 HydrophobicContact CB-CB 4.13Å; P314-Q322 HydrophobicContact CB-CG 4.37Å; P314-Q322 HydrophobicContact CG-CB 4.41Å; P314-V323 CarbonylContact C-O 3.6Å; P314-V323 VanDerWaalsContact CA-O 3.28Å; P314-V323 WeakPolarHBondContact CA-O 3.46Å; P314-V323 VanDerWaalsContact CB-O 3.24Å; P314-V323 WeakPolarHBondContact CB-O 3.48Å
315	F	87.1	Confident	89.4	Confident	32 Å²	32	38.9 Å²	38.9	14%	0.14	21%	0.21	C	C	.	.	S	Bend	trans	-97	-21.7	173.8	69.7	-97.8	0	0	0	112.2	Q172 K173 L174 V323 H325 A335 L426	Q172-F315 HydrophobicContact CB-CD2 4.25Å; Q172-F315 HydrophobicContact CB-CE2 4.36Å; Q172-F315 VanDerWaalsContact O-CD2 3.32Å; Q172-F315 WeakPolarHBondContact O-CD2 3.46Å; Q172-F315 VanDerWaalsContact O-O 3.12Å; K173-F315 CarbonylContact C-O 3.52Å; K173-F315 VanDerWaalsContact C-O 3.24Å; K173-F315 WeakPolarHBondContact CA-O 3.43Å; L174-F315 PolarHBondContact N-O 2.85Å; F315-V323 HydrophobicContact CE1-CB 4.38Å; F315-V323 HydrophobicContact CE1-CG1 3.79Å; F315-V323 HydrophobicContact CE2-CG1 4.32Å; F315-V323 HydrophobicContact CZ-CB 4.17Å; F315-V323 HydrophobicContact CZ-CG1 3.53Å; F315-V323 PolarHBondContact N-O 3.21Å; F315-H325 HydrophobicContact CD1-CB 3.88Å; F315-H325 HydrophobicContact CE1-CB 4.12Å; F315-A335 HydrophobicContact CZ-CB 4.19Å; F315-L426 HydrophobicContact CE1-CD1 4.31Å; F315-L426 HydrophobicContact CZ-CD1 3.92Å
316	A	81.7	Confident	89.5	Confident	3 Å²	3	32 Å²	32	3%	0.025	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	155.6	175.9	0	0	0	0	0	111	Q172 V323	Q172-A316 HydrophobicContact CB-CB 4.38Å; Q172-A316 HydrophobicContact CG-CB 4.22Å; A316-V323 HydrophobicContact CB-CB 4.18Å; A316-V323 HydrophobicContact CB-CG2 4.38Å; A316-V323 PolarHBondContact N-O 3.03Å; A316-V323 PolarHBondContact O-N 3.27Å
317	A	74.7	Confident	89.7	Confident	30 Å²	30	29.6 Å²	29.6	25%	0.248	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	138.7	174.6	0	0	0	0	0	109	L174 A283	L174-A317 HydrophobicContact CD2-CB 3.97Å; A283-A317 HydrophobicContact CB-CB 3.38Å
318	A	73.6	Confident	89.7	Confident	25 Å²	25	29.1 Å²	29.1	21%	0.207	17%	0.166	C	C	.	.			trans	-112.3	172	-179	0	0	0	0	0	110.4	I320 G321	A318-I320 VanDerWaalsContact C-N 3.35Å; A318-I320 PolarHBondContact O-N 3.16Å; A318-G321 CarbonylContact C-O 3.6Å; A318-G321 WeakPolarHBondContact CA-O 3.46Å; A318-G321 PolarHBondContact N-O 3.22Å
319	S	73.9	Confident	89.6	Confident	13 Å²	13	32.5 Å²	32.5	9%	0.091	17%	0.17	C	C	.	.	S	Bend	trans	-53.9	-47.6	-179.4	55.2	0	0	0	0	113.2	G251 Q258	G251-S319 PolarHBondContact N-O 3.39Å; Q258-S319 VanDerWaalsContact OE1-CB 3.25Å
320	I	84.2	Confident	89.4	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.01	18%	0.176	C	C	.	.	S	Bend	trans	-118.3	9	-174.6	64.8	167.1	0	0	0	113.5	A318 Q339 Y340 V343 E384 Y387	A318-I320 VanDerWaalsContact C-N 3.35Å; A318-I320 PolarHBondContact O-N 3.16Å; I320-Q339 WeakPolarHBondContact O-CA 3.33Å; I320-Q339 WeakPolarHBondContact O-CG 3.29Å; I320-Y340 WeakPolarHBondContact O-CD2 3.16Å; I320-Y340 PolarHBondContact O-N 3.03Å; I320-V343 HydrophobicContact CB-CG1 4.15Å; I320-V343 HydrophobicContact CG2-CG1 4.1Å; I320-E384 HydrophobicContact CD1-CB 3.99Å; I320-E384 WeakPolarHBondContact CD1-O 3.35Å; I320-Y387 HydrophobicContact CD1-CE1 3.97Å
321	G	88.7	Confident	89.3	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	-166.5	-177	0	0	0	0	0	113.6	A318 I338 Y340	A318-G321 CarbonylContact C-O 3.6Å; A318-G321 WeakPolarHBondContact CA-O 3.46Å; A318-G321 PolarHBondContact N-O 3.22Å; G321-I338 CarbonylContact C-O 3.55Å; G321-I338 WeakPolarHBondContact CA-O 3.44Å; G321-Y340 WeakPolarHBondContact O-CE2 3.25Å; G321-Y340 VanDerWaalsContact O-CZ 3.28Å; G321-Y340 PolarHBondContact O-OH 3.44Å; G321-Y340 VanDerWaalsContact O-OH 3.11Å
322	Q	90	Very high	89.3	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	154.8	177	63	-173.4	34.3	0	0	111	M286 P314 H324 K337 I338 Y340	M286-Q322 HydrophobicContact CE-CG 4.11Å; M286-Q322 VanDerWaalsContact CG-CD 3.46Å; M286-Q322 VanDerWaalsContact CG-NE2 3.33Å; M286-Q322 VanDerWaalsContact CG-OE1 3.26Å; P314-Q322 HydrophobicContact CB-CB 4.13Å; P314-Q322 HydrophobicContact CB-CG 4.37Å; P314-Q322 HydrophobicContact CG-CB 4.41Å; Q322-H324 WeakPolarHBondContact CG-NE2 3.4Å; Q322-H324 PolarHBondContact NE2-NE2 3.11Å; Q322-K337 CarbonylContact O-C 3.55Å; Q322-K337 WeakPolarHBondContact O-CA 3.28Å; Q322-I338 PolarHBondContact N-O 2.92Å; Q322-I338 PolarHBondContact O-N 3.23Å; Q322-Y340 HydrophobicContact CB-CE1 4.25Å; Q322-Y340 HydrophobicContact CG-CE1 4.31Å
323	V	92.2	Very high	89.5	Confident	22 Å²	22	36.8 Å²	36.8	13%	0.133	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.9	-173.3	-166.3	0	0	0	0	110.3	P314 F315 A316 A335 M336 K337	P314-V323 CarbonylContact C-O 3.6Å; P314-V323 VanDerWaalsContact CA-O 3.28Å; P314-V323 WeakPolarHBondContact CA-O 3.46Å; P314-V323 VanDerWaalsContact CB-O 3.24Å; P314-V323 WeakPolarHBondContact CB-O 3.48Å; F315-V323 HydrophobicContact CE1-CB 4.38Å; F315-V323 HydrophobicContact CE1-CG1 3.79Å; F315-V323 HydrophobicContact CE2-CG1 4.32Å; F315-V323 HydrophobicContact CZ-CB 4.17Å; F315-V323 HydrophobicContact CZ-CG1 3.53Å; F315-V323 PolarHBondContact N-O 3.21Å; A316-V323 HydrophobicContact CB-CB 4.18Å; A316-V323 HydrophobicContact CB-CG2 4.38Å; A316-V323 PolarHBondContact N-O 3.03Å; A316-V323 PolarHBondContact O-N 3.27Å; V323-A335 HydrophobicContact CG1-CB 3.85Å; V323-M336 WeakPolarHBondContact CA-O 3.48Å; V323-K337 HydrophobicContact CG2-CB 4.24Å; V323-K337 HydrophobicContact CG2-CG 4.3Å
324	H	94.5	Very high	89.9	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	148.6	-179.5	-69.2	-103.3	0	0	0	111.1	M291 F310 E311 D312 Q322 M336	M291-H324 PolarHBondContact SD-CE1 3.33Å; F310-H324 HydrophobicContact CE1-CB 4.42Å; F310-H324 AromaticContact CE1-ND1 3.99Å; F310-H324 HydrophobicContact CE2-CB 3.54Å; F310-H324 HydrophobicContact CZ-CB 3.47Å; F310-H324 VanDerWaalsContact CZ-CB 3.47Å; F310-H324 AromaticContact CZ-CG 3.59Å; F310-H324 AromaticContact CZ-ND1 3.69Å; E311-H324 PolarHBondContact O-ND1 3.3Å; D312-H324 PolarHBondContact O-CE1 2.72Å; D312-H324 PolarHBondContact O-ND1 3.29Å; Q322-H324 WeakPolarHBondContact CG-NE2 3.4Å; Q322-H324 PolarHBondContact NE2-NE2 3.11Å; H324-M336 PolarHBondContact N-O 3.37Å; H324-M336 PolarHBondContact O-N 3.21Å
325	H	95.7	Very high	90.1	Very high	5 Å²	5	30.9 Å²	30.9	2%	0.023	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	133.1	172.8	178.2	-110	0	0	0	109.5	R171 E311 F315 E333	R171-H325 PolarHBondContact NH1-ND1 3.49Å; R171-H325 PolarHBondContact NH2-CE1 2.97Å; R171-H325 PolarHBondContact NH2-NE2 2.95Å; E311-H325 HydrophobicContact CB-CB 4.24Å; E311-H325 HydrophobicContact CG-CB 4.21Å; E311-H325 PolarHBondContact N-O 3.47Å; E311-H325 IonicContact OE1-CE1 3.23Å; E311-H325 IonicContact OE1-CG 3.51Å; E311-H325 IonicContact OE1-ND1 2.79Å; E311-H325 PolarHBondContact OE1-ND1 2.94Å; F315-H325 HydrophobicContact CD1-CB 3.88Å; F315-H325 HydrophobicContact CE1-CB 4.12Å; H325-E333 IonicContact CE1-OE1 3.01Å; H325-E333 IonicContact NE2-OE1 3.64Å; H325-E333 PolarHBondContact NE2-OE1 3.33Å; H325-E333 IonicContact NE2-OE2 3.21Å
326	G	95.9	Very high	90.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	161.9	173.4	0	0	0	0	0	111.1	S309 I334	S309-G326 CarbonylContact O-C 3.57Å; S309-G326 WeakPolarHBondContact O-CA 3.39Å; G326-I334 PolarHBondContact N-O 2.86Å; G326-I334 WeakPolarHBondContact O-CG1 3.44Å; G326-I334 PolarHBondContact O-N 2.88Å
327	V	97	Very high	91.1	Very high	22 Å²	22	30.5 Å²	30.5	13%	0.133	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	125.8	172.9	-174.9	0	0	0	0	107.8	L307 S308 S309 R332 E333	L307-V327 CarbonylContact C-O 3.56Å; L307-V327 WeakPolarHBondContact CA-O 3.32Å; S308-V327 PolarHBondContact N-O 3.41Å; S309-V327 PolarHBondContact N-O 3.13Å; S309-V327 PolarHBondContact O-N 3.23Å; S309-V327 WeakPolarHBondContact OG-CB 3.31Å; S309-V327 VanDerWaalsContact OG-CG2 3.23Å; S309-V327 WeakPolarHBondContact OG-CG2 3.38Å; V327-R332 WeakPolarHBondContact CA-O 3.47Å; V327-E333 HydrophobicContact CG2-CG 4.44Å
328	L	96.3	Very high	92.1	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	165.7	175.4	-68.9	177.3	0	0	0	111.1	L307 S308 D330 G331 R332 I334 I413 L416	L307-L328 HydrophobicContact CD2-CD2 4.05Å; S308-L328 WeakPolarHBondContact CB-O 3.36Å; L328-D330 WeakPolarHBondContact CB-OD1 3.47Å; L328-D330 PolarHBondContact O-N 3.43Å; L328-G331 PolarHBondContact O-N 3.39Å; L328-R332 HydrophobicContact CB-CB 4.46Å; L328-R332 HydrophobicContact CD1-CB 4.16Å; L328-R332 PolarHBondContact N-O 3.45Å; L328-I334 HydrophobicContact CD1-CG2 3.84Å; L328-I334 HydrophobicContact CD2-CD1 4.23Å; L328-I334 HydrophobicContact CD2-CG2 4.48Å; L328-I334 HydrophobicContact CG-CG2 3.8Å; L328-I413 HydrophobicContact CD1-CD1 4.12Å; L328-I413 HydrophobicContact CD1-CG1 4.38Å; L328-I413 HydrophobicContact CD1-CG2 4.3Å; L328-I413 HydrophobicContact CD2-CG2 4.28Å; L328-L416 HydrophobicContact CD2-CD1 3.63Å
329	K	94.8	Very high	93.1	Very high	157 Å²	157	28 Å²	28	68%	0.683	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-24.2	177.9	-70.5	-174.3	178.5	172.2	0	114	E305 G331	E305-K329 WeakPolarHBondContact O-CE 3.34Å; E305-K329 PolarHBondContact O-NZ 2.96Å; K329-G331 VanDerWaalsContact C-N 3.25Å
330	D	94.1	Very high	93.9	Very high	96 Å²	96	27.4 Å²	27.4	51%	0.513	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-0.2	175.3	62.1	13.6	0	0	0	113.1	L328 R332	L328-D330 WeakPolarHBondContact CB-OD1 3.47Å; L328-D330 PolarHBondContact O-N 3.43Å; D330-R332 WeakPolarHBondContact OD1-CB 3.37Å; D330-R332 PolarHBondContact OD1-N 2.92Å; D330-R332 IonicContact OD1-NE 4Å; D330-R332 IonicContact OD2-CZ 3.14Å; D330-R332 VanDerWaalsContact OD2-CZ 3.23Å; D330-R332 IonicContact OD2-NE 2.73Å; D330-R332 PolarHBondContact OD2-NE 3.08Å; D330-R332 IonicContact OD2-NH2 2.78Å; D330-R332 PolarHBondContact OD2-NH2 3.26Å
331	G	93.9	Very high	94.1	Very high	50 Å²	50	28.2 Å²	28.2	52%	0.515	15%	0.149	S	C	.	.	S	Bend	trans	89.1	-3.3	179	0	0	0	0	0	115	L328 K329 E333	L328-G331 PolarHBondContact O-N 3.39Å; K329-G331 VanDerWaalsContact C-N 3.25Å; G331-E333 PolarHBondContact O-N 3.04Å
332	R	94.8	Very high	93.9	Very high	94 Å²	94	28.8 Å²	28.8	36%	0.355	16%	0.156	S	C	.	.			trans	-66.7	132.7	176	-71.1	-174.4	-71.1	167.8	-3.6	111.1	V327 L328 D330 E411	V327-R332 WeakPolarHBondContact CA-O 3.47Å; L328-R332 HydrophobicContact CB-CB 4.46Å; L328-R332 HydrophobicContact CD1-CB 4.16Å; L328-R332 PolarHBondContact N-O 3.45Å; D330-R332 WeakPolarHBondContact OD1-CB 3.37Å; D330-R332 PolarHBondContact OD1-N 2.92Å; D330-R332 IonicContact OD1-NE 4Å; D330-R332 IonicContact OD2-CZ 3.14Å; D330-R332 VanDerWaalsContact OD2-CZ 3.23Å; D330-R332 IonicContact OD2-NE 2.73Å; D330-R332 PolarHBondContact OD2-NE 3.08Å; D330-R332 IonicContact OD2-NH2 2.78Å; D330-R332 PolarHBondContact OD2-NH2 3.26Å; R332-E411 IonicContact NH1-OE1 3.88Å; R332-E411 IonicContact NH1-OE2 3.55Å; R332-E411 PolarHBondContact NH1-OE2 3.24Å
333	E	96.3	Very high	93.6	Very high	72 Å²	72	28.8 Å²	28.8	34%	0.336	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	137.1	173.2	-63.4	-165	144.3	0	0	110.5	R171 H325 V327 G331 L426	R171-E333 IonicContact NH2-OE1 3.71Å; R171-E333 PolarHBondContact NH2-OE1 3.42Å; R171-E333 IonicContact NH2-OE2 3.61Å; H325-E333 IonicContact CE1-OE1 3.01Å; H325-E333 IonicContact NE2-OE1 3.64Å; H325-E333 PolarHBondContact NE2-OE1 3.33Å; H325-E333 IonicContact NE2-OE2 3.21Å; V327-E333 HydrophobicContact CG2-CG 4.44Å; G331-E333 PolarHBondContact O-N 3.04Å; E333-L426 HydrophobicContact CB-CB 3.88Å; E333-L426 HydrophobicContact CB-CD2 3.99Å; E333-L426 PolarHBondContact O-N 3.12Å; E333-L426 VanDerWaalsContact OE2-CD2 3.3Å; E333-L426 WeakPolarHBondContact OE2-CD2 3.13Å
334	I	96.6	Very high	93.3	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.6	-178.4	65.9	165.5	0	0	0	111.7	L307 G326 L328 M336 I413 L416 M424	L307-I334 HydrophobicContact CD2-CD1 3.71Å; L307-I334 HydrophobicContact CD2-CG1 4.49Å; G326-I334 PolarHBondContact N-O 2.86Å; G326-I334 WeakPolarHBondContact O-CG1 3.44Å; G326-I334 PolarHBondContact O-N 2.88Å; L328-I334 HydrophobicContact CD1-CG2 3.84Å; L328-I334 HydrophobicContact CD2-CD1 4.23Å; L328-I334 HydrophobicContact CD2-CG2 4.48Å; L328-I334 HydrophobicContact CG-CG2 3.8Å; I334-M336 HydrophobicContact CD1-CE 4.01Å; I334-I413 HydrophobicContact CG2-CG1 3.96Å; I334-L416 HydrophobicContact CD1-CD1 3.69Å; I334-M424 CarbonylContact C-O 3.59Å; I334-M424 VanDerWaalsContact CA-O 3.27Å; I334-M424 WeakPolarHBondContact CA-O 3.09Å; I334-M424 WeakPolarHBondContact CB-O 3.11Å
335	A	95.6	Very high	92.8	Very high	20 Å²	20	34 Å²	34	17%	0.165	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	117.4	165.9	0	0	0	0	0	109.1	F315 V323 S423 M424 L426	F315-A335 HydrophobicContact CZ-CB 4.19Å; V323-A335 HydrophobicContact CG1-CB 3.85Å; A335-S423 WeakPolarHBondContact O-CA 3.48Å; A335-M424 PolarHBondContact N-O 3.44Å; A335-M424 PolarHBondContact O-N 2.86Å; A335-L426 HydrophobicContact CB-CD1 3.98Å
336	M	95.9	Very high	92.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	105.5	178.8	-174.3	176.5	-62.5	0	0	110	L295 L307 F310 V323 H324 I334 I338 L416 V421 S423	L295-M336 HydrophobicContact CD2-SD 3.63Å; L307-M336 HydrophobicContact CD1-CE 4Å; F310-M336 HydrophobicContact CE2-CB 4.44Å; F310-M336 HydrophobicContact CE2-CE 4.45Å; F310-M336 HydrophobicContact CE2-SD 3.79Å; V323-M336 WeakPolarHBondContact CA-O 3.48Å; H324-M336 PolarHBondContact N-O 3.37Å; H324-M336 PolarHBondContact O-N 3.21Å; I334-M336 HydrophobicContact CD1-CE 4.01Å; M336-I338 HydrophobicContact CG-CD1 4.36Å; M336-I338 HydrophobicContact CG-CG1 4.02Å; M336-I338 HydrophobicContact SD-CD1 4.38Å; M336-L416 HydrophobicContact CE-CB 4.24Å; M336-L416 HydrophobicContact CE-CD1 4.02Å; M336-L416 HydrophobicContact CE-CD2 4.25Å; M336-L416 HydrophobicContact CE-CG 4.42Å; M336-V421 HydrophobicContact CG-CG1 3.74Å; M336-V421 HydrophobicContact SD-CG1 4.11Å; M336-S423 WeakPolarHBondContact CE-OG 3.48Å; M336-S423 WeakPolarHBondContact CG-OG 3.24Å
337	K	94.9	Very high	91.7	Very high	28 Å²	28	34.5 Å²	34.5	12%	0.122	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	119.3	176.9	-178.8	-172	-178.8	-166.4	0	109	Q322 V323 Y387 E390 V421 I422	Q322-K337 CarbonylContact O-C 3.55Å; Q322-K337 WeakPolarHBondContact O-CA 3.28Å; V323-K337 HydrophobicContact CG2-CB 4.24Å; V323-K337 HydrophobicContact CG2-CG 4.3Å; K337-Y387 HydrophobicContact CD-CE1 4.26Å; K337-Y387 HydrophobicContact CD-CE2 4.26Å; K337-Y387 VanDerWaalsContact CE-OH 3.3Å; K337-Y387 WeakPolarHBondContact CE-OH 3.28Å; K337-Y387 HydrophobicContact CG-CE2 4.01Å; K337-E390 VanDerWaalsContact NZ-CD 3.26Å; K337-E390 IonicContact NZ-OE1 2.74Å; K337-E390 PolarHBondContact NZ-OE1 3.12Å; K337-E390 IonicContact NZ-OE2 3.84Å; K337-E390 PolarHBondContact NZ-OE2 3.33Å; K337-V421 WeakPolarHBondContact O-CA 3.25Å; K337-I422 HydrophobicContact CB-CG2 3.74Å; K337-I422 HydrophobicContact CD-CG2 3.78Å; K337-I422 HydrophobicContact CG-CG2 4.19Å; K337-I422 PolarHBondContact N-O 3.24Å; K337-I422 PolarHBondContact O-N 3.46Å
338	I	95.1	Very high	90.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.1	-174.7	-54.1	172.3	0	0	0	108.2	M286 M291 V294 L295 F310 G321 Q322 M336 V421	M286-I338 HydrophobicContact CE-CB 4.35Å; M286-I338 HydrophobicContact CE-CG2 3.73Å; M291-I338 HydrophobicContact CG-CD1 3.52Å; M291-I338 HydrophobicContact SD-CD1 4.17Å; V294-I338 HydrophobicContact CB-CG2 4.1Å; V294-I338 HydrophobicContact CG1-CG2 3.78Å; L295-I338 HydrophobicContact CD1-CD1 3.81Å; L295-I338 HydrophobicContact CD2-CD1 3.8Å; L295-I338 HydrophobicContact CD2-CG1 4.14Å; L295-I338 HydrophobicContact CG-CD1 3.91Å; F310-I338 HydrophobicContact CZ-CD1 4.22Å; G321-I338 CarbonylContact C-O 3.55Å; G321-I338 WeakPolarHBondContact CA-O 3.44Å; Q322-I338 PolarHBondContact N-O 2.92Å; Q322-I338 PolarHBondContact O-N 3.23Å; M336-I338 HydrophobicContact CG-CD1 4.36Å; M336-I338 HydrophobicContact CG-CG1 4.02Å; M336-I338 HydrophobicContact SD-CD1 4.38Å; I338-V421 HydrophobicContact CG1-CG1 4.44Å; I338-V421 HydrophobicContact CG2-CG2 4.47Å
339	Q	93.8	Very high	90.2	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.009	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	146.1	179.3	-168	-178.3	82	0	0	111.4	I320 C385 Y387 R420	I320-Q339 WeakPolarHBondContact O-CA 3.33Å; I320-Q339 WeakPolarHBondContact O-CG 3.29Å; Q339-C385 PolarHBondContact NE2-O 2.81Å; Q339-Y387 HydrophobicContact CB-CE2 3.93Å; Q339-R420 HydrophobicContact CB-CB 4.01Å; Q339-R420 WeakPolarHBondContact CB-O 3.35Å; Q339-R420 PolarHBondContact N-O 3.02Å
340	Y	90.7	Very high	89.6	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-69.4	142.8	171.1	-62.1	-52	0	0	0	111.3	V183 R250 D284 M286 I320 G321 Q322 V343	V183-Y340 HydrophobicContact CG1-CG 4.49Å; V183-Y340 HydrophobicContact CG2-CD1 3.52Å; V183-Y340 HydrophobicContact CG2-CE1 4.15Å; V183-Y340 HydrophobicContact CG2-CG 3.82Å; R250-Y340 HydrophobicContact CB-CD2 3.91Å; R250-Y340 HydrophobicContact CB-CE2 3.9Å; R250-Y340 HydrophobicContact CG-CE2 4.25Å; D284-Y340 PolarHBondContact O-OH 2.69Å; M286-Y340 HydrophobicContact CB-CD1 4.09Å; M286-Y340 HydrophobicContact CB-CE1 4.11Å; M286-Y340 HydrophobicContact CE-CD1 4.37Å; M286-Y340 HydrophobicContact CG-CD1 4.01Å; M286-Y340 HydrophobicContact CG-CE1 4.09Å; M286-Y340 HydrophobicContact SD-CD1 3.96Å; I320-Y340 WeakPolarHBondContact O-CD2 3.16Å; I320-Y340 PolarHBondContact O-N 3.03Å; G321-Y340 WeakPolarHBondContact O-CE2 3.25Å; G321-Y340 VanDerWaalsContact O-CZ 3.28Å; G321-Y340 PolarHBondContact O-OH 3.44Å; G321-Y340 VanDerWaalsContact O-OH 3.11Å; Q322-Y340 HydrophobicContact CB-CE1 4.25Å; Q322-Y340 HydrophobicContact CG-CE1 4.31Å; Y340-V343 WeakPolarHBondContact O-CG2 3.49Å
341	P	88.8	Confident	88.9	Confident	19 Å²	19	26.2 Å²	26.2	12%	0.123	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	138	-178	26.8	-34.9	0	0	0	111.9	V183 Q290 V294 V343	V183-P341 HydrophobicContact CB-CG 4.49Å; Q290-P341 HydrophobicContact CB-CG 4.45Å; V294-P341 HydrophobicContact CG2-CB 4.26Å; P341-V343 VanDerWaalsContact C-N 3.33Å; P341-V343 PolarHBondContact O-N 3.43Å
342	G	84.1	Confident	88.2	Confident	13 Å²	13	27.2 Å²	27.2	13%	0.134	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	7.3	173.9	0	0	0	0	0	115.2	R190 E345 S346	R190-G342 PolarHBondContact NH2-O 2.86Å; G342-E345 WeakPolarHBondContact CA-OE2 3.36Å; G342-S346 WeakPolarHBondContact O-CB 3.43Å; G342-S346 PolarHBondContact O-N 2.87Å; G342-S346 PolarHBondContact O-OG 3.18Å
343	V	84.7	Confident	87.5	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-69.1	-50.9	-177.7	175.1	0	0	0	0	111.1	I320 Y340 P341 E345 S346 I347	I320-V343 HydrophobicContact CB-CG1 4.15Å; I320-V343 HydrophobicContact CG2-CG1 4.1Å; Y340-V343 WeakPolarHBondContact O-CG2 3.49Å; P341-V343 VanDerWaalsContact C-N 3.33Å; P341-V343 PolarHBondContact O-N 3.43Å; V343-E345 VanDerWaalsContact C-N 3.28Å; V343-E345 PolarHBondContact O-N 3Å; V343-S346 PolarHBondContact O-N 3.12Å; V343-S346 VanDerWaalsContact O-N 3.11Å; V343-S346 PolarHBondContact O-OG 3.12Å; V343-I347 WeakPolarHBondContact O-CG1 3.42Å; V343-I347 PolarHBondContact O-N 2.97Å
344	A	84.8	Confident	86.6	Confident	28 Å²	28	20.9 Å²	20.9	23%	0.231	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-58.1	-41.1	-178.3	0	0	0	0	0	112.2	S346 C385	A344-S346 PolarHBondContact O-N 3.08Å; A344-C385 HydrophobicContact CB-CB 3.96Å
345	E	85.1	Confident	85.6	Confident	103 Å²	103	21.5 Å²	21.5	48%	0.481	12%	0.12	S	C	.	.	G	3₁₀ helix	trans	-74.3	-13.8	-177	-58.9	77	-169.2	0	0	113.4	R187 G342 V343	R187-E345 PolarHBondContact NE-O 3.26Å; R187-E345 PolarHBondContact NH2-O 3.11Å; G342-E345 WeakPolarHBondContact CA-OE2 3.36Å; V343-E345 VanDerWaalsContact C-N 3.28Å; V343-E345 PolarHBondContact O-N 3Å
346	S	83.5	Confident	84.6	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.007	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-108.1	-6.6	-173.5	68.3	0	0	0	0	114.7	R190 G342 V343 A344 Q348 S349 D350	R190-S346 PolarHBondContact NH1-OG 2.87Å; G342-S346 WeakPolarHBondContact O-CB 3.43Å; G342-S346 PolarHBondContact O-N 2.87Å; G342-S346 PolarHBondContact O-OG 3.18Å; V343-S346 PolarHBondContact O-N 3.12Å; V343-S346 VanDerWaalsContact O-N 3.11Å; V343-S346 PolarHBondContact O-OG 3.12Å; A344-S346 PolarHBondContact O-N 3.08Å; S346-Q348 VanDerWaalsContact C-N 3.3Å; S346-Q348 PolarHBondContact O-N 3.5Å; S346-S349 PolarHBondContact O-N 3.32Å; S346-S349 VanDerWaalsContact O-N 3.14Å; S346-S349 PolarHBondContact O-OG 3.19Å; S346-D350 WeakPolarHBondContact O-CB 3.46Å; S346-D350 PolarHBondContact O-N 3.04Å; S346-D350 PolarHBondContact OG-OD2 3.09Å
347	I	84.6	Confident	83.5	Confident	15 Å²	15	24.1 Å²	24.1	8%	0.077	14%	0.137	C	C	.	.	H	α-helix	trans	-48.8	-53.1	-174.9	-65.2	171.5	0	0	0	110.7	A252 V343 D350 I351 L381	A252-I347 HydrophobicContact CB-CB 4.4Å; A252-I347 HydrophobicContact CB-CG1 4.18Å; V343-I347 WeakPolarHBondContact O-CG1 3.42Å; V343-I347 PolarHBondContact O-N 2.97Å; I347-D350 PolarHBondContact O-N 2.9Å; I347-I351 HydrophobicContact CG2-CD1 3.77Å; I347-I351 WeakPolarHBondContact O-CD1 3.27Å; I347-I351 VanDerWaalsContact O-CG1 3.3Å; I347-I351 WeakPolarHBondContact O-CG1 3.44Å; I347-I351 PolarHBondContact O-N 3.49Å; I347-L381 HydrophobicContact CD1-CB 4.14Å; I347-L381 HydrophobicContact CG1-CB 4.44Å; I347-L381 HydrophobicContact CG2-CB 3.88Å; I347-L381 HydrophobicContact CG2-CD1 4.04Å
348	Q	80.8	Confident	82.2	Confident	79 Å²	79	23.3 Å²	23.3	37%	0.369	13%	0.133	S	C	.	.	H	α-helix	trans	-57.6	-55.6	-179.7	-174.2	59	46.2	0	0	111.8	S346 D350 I351 D352 Q378	S346-Q348 VanDerWaalsContact C-N 3.3Å; S346-Q348 PolarHBondContact O-N 3.5Å; Q348-D350 VanDerWaalsContact C-N 3.28Å; Q348-D350 PolarHBondContact O-N 3.39Å; Q348-I351 PolarHBondContact O-N 2.96Å; Q348-D352 PolarHBondContact NE2-OD1 3.33Å; Q348-D352 VanDerWaalsContact NE2-OD1 3.08Å; Q348-D352 PolarHBondContact NE2-OD2 2.78Å; Q348-D352 VanDerWaalsContact O-CG 3.27Å; Q348-D352 PolarHBondContact O-N 3.04Å; Q348-Q378 VanDerWaalsContact NE2-NE2 3.16Å; Q348-Q378 VanDerWaalsContact OE1-OE1 3.11Å
349	S	82	Confident	81	Confident	23 Å²	23	30.7 Å²	30.7	16%	0.161	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-34.6	-177.6	54.1	0	0	0	0	112.7	S346 N353	S346-S349 PolarHBondContact O-N 3.32Å; S346-S349 VanDerWaalsContact O-N 3.14Å; S346-S349 PolarHBondContact O-OG 3.19Å; S349-N353 WeakPolarHBondContact O-CB 3.4Å; S349-N353 PolarHBondContact O-N 2.9Å; S349-N353 PolarHBondContact O-ND2 2.98Å
350	D	82.1	Confident	79.6	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-70.5	-38.1	179.3	-77.9	1.1	0	0	0	111.3	R190 A252 A253 S346 I347 Q348 L354	R190-D350 VanDerWaalsContact CD-OD1 3.25Å; R190-D350 WeakPolarHBondContact CD-OD1 3.46Å; R190-D350 IonicContact CZ-OD2 4Å; R190-D350 IonicContact NH1-OD2 2.8Å; R190-D350 PolarHBondContact NH1-OD2 3.37Å; A252-D350 HydrophobicContact CB-CB 4.07Å; A253-D350 HydrophobicContact CB-CB 4.48Å; S346-D350 WeakPolarHBondContact O-CB 3.46Å; S346-D350 PolarHBondContact O-N 3.04Å; S346-D350 PolarHBondContact OG-OD2 3.09Å; I347-D350 PolarHBondContact O-N 2.9Å; Q348-D350 VanDerWaalsContact C-N 3.28Å; Q348-D350 PolarHBondContact O-N 3.39Å; D350-L354 WeakPolarHBondContact O-CB 3.13Å; D350-L354 PolarHBondContact O-N 3.29Å
351	I	79.4	Confident	78	Confident	2 Å²	2	37 Å²	37	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-63.1	-52.9	172.5	-70.1	164.6	0	0	0	109.7	I256 I347 Q348 N353 L354 M355 L374 Q378 L381	I256-I351 HydrophobicContact CD1-CB 4.45Å; I256-I351 HydrophobicContact CD1-CD1 4.43Å; I256-I351 HydrophobicContact CD1-CG1 3.43Å; I256-I351 VanDerWaalsContact CD1-CG1 3.43Å; I347-I351 HydrophobicContact CG2-CD1 3.77Å; I347-I351 WeakPolarHBondContact O-CD1 3.27Å; I347-I351 VanDerWaalsContact O-CG1 3.3Å; I347-I351 WeakPolarHBondContact O-CG1 3.44Å; I347-I351 PolarHBondContact O-N 3.49Å; Q348-I351 PolarHBondContact O-N 2.96Å; I351-N353 VanDerWaalsContact C-N 3.3Å; I351-N353 PolarHBondContact O-N 3.25Å; I351-L354 PolarHBondContact O-N 3.34Å; I351-M355 HydrophobicContact CG2-CG 4.12Å; I351-M355 WeakPolarHBondContact O-CB 2.85Å; I351-M355 VanDerWaalsContact O-CG 3.22Å; I351-M355 WeakPolarHBondContact O-CG 3.5Å; I351-M355 PolarHBondContact O-N 2.92Å; I351-L374 HydrophobicContact CG2-CD2 4.08Å; I351-Q378 HydrophobicContact CD1-CB 4.25Å; I351-Q378 HydrophobicContact CD1-CG 3.3Å; I351-L381 HydrophobicContact CD1-CD1 3.91Å; I351-L381 HydrophobicContact CG1-CD1 4.38Å
352	D	79.2	Confident	76.5	Confident	72 Å²	72	37.4 Å²	37.4	39%	0.385	20%	0.199	S	C	.	.	H	α-helix	trans	-60.2	-42	-176.6	-64.1	-26.7	0	0	0	111.8	Q348 S356	Q348-D352 PolarHBondContact NE2-OD1 3.33Å; Q348-D352 VanDerWaalsContact NE2-OD1 3.08Å; Q348-D352 PolarHBondContact NE2-OD2 2.78Å; Q348-D352 VanDerWaalsContact O-CG 3.27Å; Q348-D352 PolarHBondContact O-N 3.04Å; D352-S356 WeakPolarHBondContact O-CB 3.47Å; D352-S356 PolarHBondContact O-N 2.74Å; D352-S356 PolarHBondContact O-OG 2.88Å
353	N	79.8	Confident	74.9	Confident	28 Å²	28	43.7 Å²	43.7	15%	0.15	24%	0.235	C	C	.	.	H	α-helix	trans	-66.9	-45.1	176.9	-72.4	-35.2	0	0	0	112.1	L191 F194 S349 I351 S356 V357	L191-N353 VanDerWaalsContact CD1-OD1 3.25Å; L191-N353 WeakPolarHBondContact CD1-OD1 3.47Å; F194-N353 HydrophobicContact CB-CB 3.94Å; F194-N353 HydrophobicContact CD1-CB 3.97Å; F194-N353 HydrophobicContact CD2-CB 3.56Å; F194-N353 HydrophobicContact CE1-CB 4.33Å; F194-N353 HydrophobicContact CE2-CB 3.95Å; F194-N353 HydrophobicContact CG-CB 3.56Å; F194-N353 HydrophobicContact CZ-CB 4.31Å; S349-N353 WeakPolarHBondContact O-CB 3.4Å; S349-N353 PolarHBondContact O-N 2.9Å; S349-N353 PolarHBondContact O-ND2 2.98Å; I351-N353 VanDerWaalsContact C-N 3.3Å; I351-N353 PolarHBondContact O-N 3.25Å; N353-S356 PolarHBondContact O-N 2.98Å; N353-V357 WeakPolarHBondContact O-CG2 3.41Å; N353-V357 PolarHBondContact O-N 3.4Å
354	L	76.7	Confident	73.4	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-44.3	177.8	179.4	58	0	0	0	111	F194 L246 I256 D350 I351 S356 V357 L358	F194-L354 HydrophobicContact CE1-CB 4.19Å; F194-L354 HydrophobicContact CE1-CD1 4.48Å; L246-L354 HydrophobicContact CD2-CD1 4.04Å; I256-L354 HydrophobicContact CB-CD2 3.89Å; I256-L354 HydrophobicContact CD1-CD2 4.04Å; I256-L354 HydrophobicContact CG2-CD2 3.56Å; D350-L354 WeakPolarHBondContact O-CB 3.13Å; D350-L354 PolarHBondContact O-N 3.29Å; I351-L354 PolarHBondContact O-N 3.34Å; L354-S356 VanDerWaalsContact C-N 3.31Å; L354-S356 PolarHBondContact O-N 3.32Å; L354-V357 PolarHBondContact O-N 3.29Å; L354-L358 HydrophobicContact CD1-CD1 4.15Å; L354-L358 HydrophobicContact CD1-CG 4.12Å; L354-L358 HydrophobicContact CG-CD1 3.99Å; L354-L358 HydrophobicContact CG-CG 4.38Å; L354-L358 WeakPolarHBondContact O-CG 3.28Å; L354-L358 PolarHBondContact O-N 3.15Å
355	M	75.3	Confident	71.7	Confident	15 Å²	15	47.7 Å²	47.7	7%	0.074	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-40.8	177.2	-71.9	-48.4	-61	0	0	111.7	I351 L358 K359 L364 F369 L374	I351-M355 HydrophobicContact CG2-CG 4.12Å; I351-M355 WeakPolarHBondContact O-CB 2.85Å; I351-M355 VanDerWaalsContact O-CG 3.22Å; I351-M355 WeakPolarHBondContact O-CG 3.5Å; I351-M355 PolarHBondContact O-N 2.92Å; M355-L358 PolarHBondContact O-N 3.13Å; M355-L358 HydrophobicContact SD-CD1 4.49Å; M355-K359 WeakPolarHBondContact O-CB 3.49Å; M355-K359 VanDerWaalsContact O-CG 3.27Å; M355-K359 WeakPolarHBondContact O-CG 3.46Å; M355-K359 PolarHBondContact O-N 3.34Å; M355-L364 HydrophobicContact CE-CD1 4.37Å; M355-F369 HydrophobicContact CE-CB 3.83Å; M355-F369 HydrophobicContact CE-CD1 3.99Å; M355-F369 HydrophobicContact CE-CD2 3.33Å; M355-F369 HydrophobicContact CE-CE1 4.36Å; M355-F369 HydrophobicContact CE-CE2 3.71Å; M355-F369 HydrophobicContact CE-CG 3.45Å; M355-F369 VanDerWaalsContact CE-CG 3.45Å; M355-F369 HydrophobicContact CE-CZ 4.22Å; M355-F369 HydrophobicContact SD-CD1 4.16Å; M355-F369 HydrophobicContact SD-CD2 4.29Å; M355-F369 HydrophobicContact SD-CE1 4.14Å; M355-F369 HydrophobicContact SD-CE2 4.22Å; M355-F369 HydrophobicContact SD-CG 4.23Å; M355-F369 HydrophobicContact SD-CZ 4.16Å; M355-L374 HydrophobicContact CG-CD2 4.19Å; M355-L374 HydrophobicContact SD-CD2 4.19Å
356	S	76	Confident	70	Confident	67 Å²	67	52.5 Å²	52.5	47%	0.469	28%	0.278	S	S	.	.	H	α-helix	trans	-61.3	-44.9	175.1	-60.6	0	0	0	0	111.5	D352 N353 L354 K359 M360	D352-S356 WeakPolarHBondContact O-CB 3.47Å; D352-S356 PolarHBondContact O-N 2.74Å; D352-S356 PolarHBondContact O-OG 2.88Å; N353-S356 PolarHBondContact O-N 2.98Å; L354-S356 VanDerWaalsContact C-N 3.31Å; L354-S356 PolarHBondContact O-N 3.32Å; S356-K359 PolarHBondContact O-N 3.41Å; S356-M360 WeakPolarHBondContact O-CG 3.43Å; S356-M360 PolarHBondContact O-N 3.12Å
357	V	71.9	Confident	68.4	Low	8 Å²	8	55.2 Å²	55.2	5%	0.048	31%	0.307	C	S	.	.	H	α-helix	trans	-65.7	-41.7	177.4	171.7	0	0	0	0	112.1	F194 L197 L201 N353 L354 M360 S361	F194-V357 HydrophobicContact CD1-CG2 4.3Å; L197-V357 HydrophobicContact CD2-CG1 3.8Å; L197-V357 HydrophobicContact CD2-CG2 4.38Å; L197-V357 HydrophobicContact CG-CG1 4.16Å; L201-V357 HydrophobicContact CD1-CG1 3.6Å; N353-V357 WeakPolarHBondContact O-CG2 3.41Å; N353-V357 PolarHBondContact O-N 3.4Å; L354-V357 PolarHBondContact O-N 3.29Å; V357-M360 PolarHBondContact O-N 3.32Å; V357-S361 WeakPolarHBondContact O-CB 3.38Å; V357-S361 PolarHBondContact O-N 3.15Å; V357-S361 VanDerWaalsContact O-N 3.12Å; V357-S361 PolarHBondContact O-OG 2.66Å
358	L	69	Low	66.9	Low	10 Å²	10	56.5 Å²	56.5	5%	0.052	31%	0.313	C	S	.	.	H	α-helix	trans	-66.5	-41.4	178.8	-69.4	174.8	0	0	0	111.5	L354 M355 M360 S361 V362 L364	L354-L358 HydrophobicContact CD1-CD1 4.15Å; L354-L358 HydrophobicContact CD1-CG 4.12Å; L354-L358 HydrophobicContact CG-CD1 3.99Å; L354-L358 HydrophobicContact CG-CG 4.38Å; L354-L358 WeakPolarHBondContact O-CG 3.28Å; L354-L358 PolarHBondContact O-N 3.15Å; M355-L358 PolarHBondContact O-N 3.13Å; M355-L358 HydrophobicContact SD-CD1 4.49Å; L358-M360 PolarHBondContact O-N 3.48Å; L358-S361 WeakPolarHBondContact CA-OG 3.43Å; L358-S361 PolarHBondContact O-N 3.17Å; L358-S361 VanDerWaalsContact O-N 3.16Å; L358-S361 PolarHBondContact O-OG 3.25Å; L358-V362 WeakPolarHBondContact O-CB 3.12Å; L358-V362 PolarHBondContact O-N 2.78Å; L358-L364 HydrophobicContact CB-CD1 4.03Å
359	K	68.4	Low	65.7	Low	156 Å²	156	55 Å²	55	68%	0.678	31%	0.306	S	S	*	.	H	α-helix	trans	-60.6	-32.4	174.3	-75	176	-179.6	-178.3	0	112.9	M355 S356 L364	M355-K359 WeakPolarHBondContact O-CB 3.49Å; M355-K359 VanDerWaalsContact O-CG 3.27Å; M355-K359 WeakPolarHBondContact O-CG 3.46Å; M355-K359 PolarHBondContact O-N 3.34Å; S356-K359 PolarHBondContact O-N 3.41Å; K359-L364 HydrophobicContact CG-CD1 4.41Å
360	M	64.6	Low	64.5	Low	129 Å²	129	55.9 Å²	55.9	64%	0.635	31%	0.314	S	S	*	.	H	α-helix	trans	-78.4	-26.5	176.8	-69.9	177.4	73.3	0	0	113.6	S356 V357 L358	S356-M360 WeakPolarHBondContact O-CG 3.43Å; S356-M360 PolarHBondContact O-N 3.12Å; V357-M360 PolarHBondContact O-N 3.32Å; L358-M360 PolarHBondContact O-N 3.48Å
361	S	58.1	Low	63.6	Low	6 Å²	6	62 Å²	62	4%	0.042	35%	0.347	C	S	.	.	H	α-helix	trans	-105.6	-21.5	-171.6	53.2	0	0	0	0	114.3	F233 V357 L358	F233-S361 WeakPolarHBondContact CB-O 3.49Å; V357-S361 WeakPolarHBondContact O-CB 3.38Å; V357-S361 PolarHBondContact O-N 3.15Å; V357-S361 VanDerWaalsContact O-N 3.12Å; V357-S361 PolarHBondContact O-OG 2.66Å; L358-S361 WeakPolarHBondContact CA-OG 3.43Å; L358-S361 PolarHBondContact O-N 3.17Å; L358-S361 VanDerWaalsContact O-N 3.16Å; L358-S361 PolarHBondContact O-OG 3.25Å
362	V	56.1	Low	62.8	Low	26 Å²	26	63.9 Å²	63.9	16%	0.158	36%	0.361	C	S	.	.			trans	-132.2	131	-173.6	-170.9	0	0	0	0	108.8	L234 L272 L358 L364	L234-V362 HydrophobicContact CD2-CG2 4.12Å; L272-V362 HydrophobicContact CD1-CG2 4.36Å; L358-V362 WeakPolarHBondContact O-CB 3.12Å; L358-V362 PolarHBondContact O-N 2.78Å; V362-L364 HydrophobicContact CB-CD2 4.09Å; V362-L364 HydrophobicContact CB-CG 4.11Å; V362-L364 HydrophobicContact CG1-CD2 3.85Å; V362-L364 HydrophobicContact CG1-CG 4.18Å; V362-L364 PolarHBondContact O-N 3.45Å
363	V	51.2	Low	62.1	Low	145 Å²	145	62 Å²	62	88%	0.879	35%	0.354	S	S	*	.			trans	-69.1	81.6	157.8	-178.7	0	0	0	0	106
364	L	53.6	Low	61.6	Low	43 Å²	43	61.9 Å²	61.9	23%	0.225	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-62.4	136.3	175.6	-70.8	171.2	0	0	0	108	M355 L358 K359 V362 E366 L368 F369	M355-L364 HydrophobicContact CE-CD1 4.37Å; L358-L364 HydrophobicContact CB-CD1 4.03Å; K359-L364 HydrophobicContact CG-CD1 4.41Å; V362-L364 HydrophobicContact CB-CD2 4.09Å; V362-L364 HydrophobicContact CB-CG 4.11Å; V362-L364 HydrophobicContact CG1-CD2 3.85Å; V362-L364 HydrophobicContact CG1-CG 4.18Å; V362-L364 PolarHBondContact O-N 3.45Å; L364-E366 PolarHBondContact O-N 2.9Å; L364-L368 HydrophobicContact CD2-CD2 4.28Å; L364-F369 HydrophobicContact CD1-CD2 4.06Å; L364-F369 HydrophobicContact CD1-CE2 3.87Å; L364-F369 HydrophobicContact CD2-CE2 4.13Å
365	P	48.7	Very low	61.5	Low	69 Å²	69	67 Å²	67	45%	0.448	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-53.7	132.3	174.2	-24.4	33.1	0	0	0	110.7	G367 L368	P365-G367 PolarHBondContact O-N 3.38Å; P365-L368 HydrophobicContact CG-CD1 4.44Å; P365-L368 WeakPolarHBondContact O-CB 3.22Å; P365-L368 PolarHBondContact O-N 3.24Å; P365-L368 VanDerWaalsContact O-N 3.15Å
366	E	48.4	Very low	61.3	Low	204 Å²	204	67.4 Å²	67.4	95%	0.953	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	127.7	173.4	-70.4	-176.4	173.8	0	0	109.5	L364	L364-E366 PolarHBondContact O-N 2.9Å
367	G	50.6	Low	61.2	Low	59 Å²	59	65.4 Å²	65.4	61%	0.608	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.3	-4.7	-179.3	0	0	0	0	0	116.7	P365 F369	P365-G367 PolarHBondContact O-N 3.38Å; G367-F369 PolarHBondContact O-N 2.74Å
368	L	52.4	Low	61.6	Low	41 Å²	41	67.2 Å²	67.2	22%	0.215	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-29	178.1	-159.6	88	0	0	0	112.9	L364 P365	L364-L368 HydrophobicContact CD2-CD2 4.28Å; P365-L368 HydrophobicContact CG-CD1 4.44Å; P365-L368 WeakPolarHBondContact O-CB 3.22Å; P365-L368 PolarHBondContact O-N 3.24Å; P365-L368 VanDerWaalsContact O-N 3.15Å
369	F	56.8	Low	62.1	Low	47 Å²	47	72.3 Å²	72.3	21%	0.206	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.9	68.3	177.7	-61.2	-78.5	0	0	0	110	L260 M355 L364 G367 L374	L260-F369 HydrophobicContact CD2-CE1 4.37Å; L260-F369 HydrophobicContact CD2-CZ 4.1Å; M355-F369 HydrophobicContact CE-CB 3.83Å; M355-F369 HydrophobicContact CE-CD1 3.99Å; M355-F369 HydrophobicContact CE-CD2 3.33Å; M355-F369 HydrophobicContact CE-CE1 4.36Å; M355-F369 HydrophobicContact CE-CE2 3.71Å; M355-F369 HydrophobicContact CE-CG 3.45Å; M355-F369 VanDerWaalsContact CE-CG 3.45Å; M355-F369 HydrophobicContact CE-CZ 4.22Å; M355-F369 HydrophobicContact SD-CD1 4.16Å; M355-F369 HydrophobicContact SD-CD2 4.29Å; M355-F369 HydrophobicContact SD-CE1 4.14Å; M355-F369 HydrophobicContact SD-CE2 4.22Å; M355-F369 HydrophobicContact SD-CG 4.23Å; M355-F369 HydrophobicContact SD-CZ 4.16Å; L364-F369 HydrophobicContact CD1-CD2 4.06Å; L364-F369 HydrophobicContact CD1-CE2 3.87Å; L364-F369 HydrophobicContact CD2-CE2 4.13Å; G367-F369 PolarHBondContact O-N 2.74Å; F369-L374 HydrophobicContact CB-CD2 4.41Å; F369-L374 HydrophobicContact CB-CG 4.4Å; F369-L374 HydrophobicContact CD1-CD2 3.97Å
370	A	56.7	Low	62.6	Low	42 Å²	42	65.4 Å²	65.4	35%	0.347	36%	0.36	S	S	.	.			trans	-56.8	143.4	163.8	0	0	0	0	0	109.2	S372 S373 L374	A370-S372 PolarHBondContact O-N 2.95Å; A370-S372 VanDerWaalsContact O-N 3.09Å; A370-S373 WeakPolarHBondContact O-CA 3.36Å; A370-S373 WeakPolarHBondContact O-CB 3.44Å; A370-S373 PolarHBondContact O-N 3.22Å; A370-L374 PolarHBondContact O-N 2.9Å
371	D	62.5	Low	63.4	Low	128 Å²	128	59.4 Å²	59.4	68%	0.684	33%	0.33	S	S	*	.	H	α-helix	trans	-53.4	-36.3	-176.9	-63.4	-39.5	0	0	0	112	S373 L374 E375	D371-S373 VanDerWaalsContact C-N 3.29Å; D371-S373 PolarHBondContact O-N 3.47Å; D371-L374 WeakPolarHBondContact O-CB 3.36Å; D371-L374 PolarHBondContact O-N 2.82Å; D371-L374 VanDerWaalsContact O-N 3.1Å; D371-E375 PolarHBondContact O-N 2.97Å; D371-E375 VanDerWaalsContact O-N 3.08Å
372	S	62.4	Low	64.8	Low	42 Å²	42	60.5 Å²	60.5	29%	0.294	34%	0.343	S	S	.	.	H	α-helix	trans	-59.8	-32.7	173.7	58.3	0	0	0	0	114.3	A370 V376	A370-S372 PolarHBondContact O-N 2.95Å; A370-S372 VanDerWaalsContact O-N 3.09Å; S372-V376 WeakPolarHBondContact O-CG2 3.38Å; S372-V376 PolarHBondContact O-N 3.21Å
373	S	64.9	Low	66.2	Low	34 Å²	34	62.6 Å²	62.6	24%	0.238	35%	0.348	C	S	.	.	H	α-helix	trans	-75.4	-30.9	176.6	-57.9	0	0	0	0	112	A370 D371 L377	A370-S373 WeakPolarHBondContact O-CA 3.36Å; A370-S373 WeakPolarHBondContact O-CB 3.44Å; A370-S373 PolarHBondContact O-N 3.22Å; D371-S373 VanDerWaalsContact C-N 3.29Å; D371-S373 PolarHBondContact O-N 3.47Å; S373-L377 WeakPolarHBondContact O-CB 3.44Å; S373-L377 PolarHBondContact O-N 3.34Å
374	L	69.4	Low	67.8	Low	24 Å²	24	56.2 Å²	56.2	13%	0.126	31%	0.309	C	S	.	.	H	α-helix	trans	-70.6	-39.1	175.1	-68	174.5	0	0	0	111.5	I351 M355 F369 A370 D371 L377 Q378	I351-L374 HydrophobicContact CG2-CD2 4.08Å; M355-L374 HydrophobicContact CG-CD2 4.19Å; M355-L374 HydrophobicContact SD-CD2 4.19Å; F369-L374 HydrophobicContact CB-CD2 4.41Å; F369-L374 HydrophobicContact CB-CG 4.4Å; F369-L374 HydrophobicContact CD1-CD2 3.97Å; A370-L374 PolarHBondContact O-N 2.9Å; D371-L374 WeakPolarHBondContact O-CB 3.36Å; D371-L374 PolarHBondContact O-N 2.82Å; D371-L374 VanDerWaalsContact O-N 3.1Å; L374-L377 HydrophobicContact CD2-CD2 4.49Å; L374-L377 WeakPolarHBondContact O-CB 3.35Å; L374-L377 PolarHBondContact O-N 3.13Å; L374-Q378 VanDerWaalsContact O-CG 3.28Å; L374-Q378 WeakPolarHBondContact O-CG 3.48Å; L374-Q378 PolarHBondContact O-N 2.88Å
375	E	73.7	Confident	69.5	Low	113 Å²	113	54.4 Å²	54.4	53%	0.528	30%	0.3	S	S	.	.	H	α-helix	trans	-61.7	-43.4	174.4	-70.6	178.3	-177	0	0	112.1	D371 L377 Q378 R379	D371-E375 PolarHBondContact O-N 2.97Å; D371-E375 VanDerWaalsContact O-N 3.08Å; E375-L377 VanDerWaalsContact C-N 3.35Å; E375-Q378 PolarHBondContact O-N 3.43Å; E375-R379 PolarHBondContact O-N 3.19Å
376	V	71.4	Confident	71.6	Confident	23 Å²	23	53.3 Å²	53.3	14%	0.139	29%	0.29	C	S	.	.	H	α-helix	trans	-63.1	-43.7	175.5	174.6	0	0	0	0	110.7	S372 Q378 R379 E380 E583	S372-V376 WeakPolarHBondContact O-CG2 3.38Å; S372-V376 PolarHBondContact O-N 3.21Å; V376-Q378 PolarHBondContact O-N 2.98Å; V376-R379 PolarHBondContact O-N 3.21Å; V376-E380 HydrophobicContact CG1-CG 4.44Å; V376-E380 PolarHBondContact O-N 2.89Å; V376-E583 HydrophobicContact CB-CG 4.49Å; V376-E583 HydrophobicContact CG1-CG 3.87Å; V376-E583 HydrophobicContact CG2-CG 3.8Å
377	L	73.9	Confident	73.8	Confident	25 Å²	25	43.6 Å²	43.6	13%	0.131	25%	0.245	C	C	.	.	H	α-helix	trans	-60.9	-44.4	176.6	177.5	61.6	0	0	0	112.2	I256 M259 S373 L374 E375 R379 E380 L381	I256-L377 HydrophobicContact CG1-CD1 4.47Å; I256-L377 HydrophobicContact CG1-CD2 4.19Å; I256-L377 HydrophobicContact CG2-CD2 4.5Å; M259-L377 HydrophobicContact CE-CD1 4.4Å; M259-L377 HydrophobicContact SD-CD1 3.36Å; M259-L377 WeakPolarHBondContact SD-CD1 3.33Å; S373-L377 WeakPolarHBondContact O-CB 3.44Å; S373-L377 PolarHBondContact O-N 3.34Å; L374-L377 HydrophobicContact CD2-CD2 4.49Å; L374-L377 WeakPolarHBondContact O-CB 3.35Å; L374-L377 PolarHBondContact O-N 3.13Å; E375-L377 VanDerWaalsContact C-N 3.35Å; L377-R379 VanDerWaalsContact C-N 3.29Å; L377-R379 PolarHBondContact O-N 3.18Å; L377-E380 PolarHBondContact O-N 3.4Å; L377-L381 HydrophobicContact CD1-CD1 4.08Å; L377-L381 HydrophobicContact CD1-CG 4.3Å; L377-L381 HydrophobicContact CG-CD1 4.07Å; L377-L381 WeakPolarHBondContact O-CB 3.41Å; L377-L381 VanDerWaalsContact O-CG 3.29Å; L377-L381 WeakPolarHBondContact O-CG 3.34Å; L377-L381 PolarHBondContact O-N 2.98Å
378	Q	79.7	Confident	75.9	Confident	46 Å²	46	46.9 Å²	46.9	22%	0.215	24%	0.242	C	C	.	.	H	α-helix	trans	-58	-43.3	175.2	-74.8	162.4	13.1	0	0	111.4	Q348 I351 L374 E375 V376 G382	Q348-Q378 VanDerWaalsContact NE2-NE2 3.16Å; Q348-Q378 VanDerWaalsContact OE1-OE1 3.11Å; I351-Q378 HydrophobicContact CD1-CB 4.25Å; I351-Q378 HydrophobicContact CD1-CG 3.3Å; L374-Q378 VanDerWaalsContact O-CG 3.28Å; L374-Q378 WeakPolarHBondContact O-CG 3.48Å; L374-Q378 PolarHBondContact O-N 2.88Å; E375-Q378 PolarHBondContact O-N 3.43Å; V376-Q378 PolarHBondContact O-N 2.98Å; Q378-G382 PolarHBondContact O-N 2.67Å
379	R	81.1	Confident	77.9	Confident	116 Å²	116	47.8 Å²	47.8	44%	0.438	24%	0.243	S	C	.	.	H	α-helix	trans	-66.9	-46.2	178.9	-169.6	-177.1	-60.8	162.9	-0.9	112.3	E375 V376 L377 L381 G382 W383 E583	E375-R379 PolarHBondContact O-N 3.19Å; V376-R379 PolarHBondContact O-N 3.21Å; L377-R379 VanDerWaalsContact C-N 3.29Å; L377-R379 PolarHBondContact O-N 3.18Å; R379-L381 VanDerWaalsContact C-N 3.32Å; R379-L381 PolarHBondContact O-N 2.87Å; R379-G382 WeakPolarHBondContact O-CA 3.34Å; R379-G382 PolarHBondContact O-N 2.85Å; R379-G382 VanDerWaalsContact O-N 3.1Å; R379-W383 HydrophobicContact CG-CD2 4.46Å; R379-W383 HydrophobicContact CG-CH2 4.43Å; R379-W383 HydrophobicContact CG-CZ2 3.86Å; R379-W383 PolarHBondContact O-N 3.23Å; R379-E583 WeakPolarHBondContact CD-OE1 3.49Å; R379-E583 IonicContact CZ-OE1 2.69Å; R379-E583 IonicContact NE-OE1 2.71Å; R379-E583 IonicContact NH1-OE1 3.26Å; R379-E583 PolarHBondContact NH1-OE1 3.25Å; R379-E583 IonicContact NH1-OE2 3.94Å; R379-E583 PolarHBondContact NH1-OE2 3.4Å
380	E	79.2	Confident	79.7	Confident	12 Å²	12	45.8 Å²	45.8	6%	0.056	23%	0.234	C	C	.	.	H	α-helix	trans	-58.4	-44.3	176.2	-74.3	-169.5	162.6	0	0	110.7	V376 L377 G382 W383 E384 S587 R590	V376-E380 HydrophobicContact CG1-CG 4.44Å; V376-E380 PolarHBondContact O-N 2.89Å; L377-E380 PolarHBondContact O-N 3.4Å; E380-G382 VanDerWaalsContact C-N 3.32Å; E380-G382 PolarHBondContact O-N 2.77Å; E380-W383 WeakPolarHBondContact O-CB 3.23Å; E380-W383 PolarHBondContact O-N 3.05Å; E380-E384 PolarHBondContact O-N 2.88Å; E380-S587 PolarHBondContact OE1-OG 3.38Å; E380-R590 IonicContact OE1-CZ 2.67Å; E380-R590 IonicContact OE1-NH1 3.91Å; E380-R590 IonicContact OE1-NH2 3.77Å; E380-R590 PolarHBondContact OE1-NH2 3.22Å; E380-R590 IonicContact OE2-CZ 2.85Å; E380-R590 IonicContact OE2-NH1 2.85Å; E380-R590 PolarHBondContact OE2-NH1 3.39Å; E380-R590 IonicContact OE2-NH2 3.88Å; E380-R590 PolarHBondContact OE2-NH2 3.48Å
381	L	81.4	Confident	81.6	Confident	2 Å²	2	44 Å²	44	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-65.3	-34.6	175.3	-70.4	168.6	0	0	0	112.8	A252 K255 I256 M259 I347 I351 L377 R379 E384 C385	A252-L381 HydrophobicContact CB-CD1 4.26Å; K255-L381 HydrophobicContact CB-CD2 3.62Å; K255-L381 HydrophobicContact CG-CD2 3.58Å; I256-L381 HydrophobicContact CD1-CD1 4.12Å; I256-L381 HydrophobicContact CG1-CD1 3.87Å; M259-L381 HydrophobicContact CE-CD2 4.39Å; I347-L381 HydrophobicContact CD1-CB 4.14Å; I347-L381 HydrophobicContact CG1-CB 4.44Å; I347-L381 HydrophobicContact CG2-CB 3.88Å; I347-L381 HydrophobicContact CG2-CD1 4.04Å; I351-L381 HydrophobicContact CD1-CD1 3.91Å; I351-L381 HydrophobicContact CG1-CD1 4.38Å; L377-L381 HydrophobicContact CD1-CD1 4.08Å; L377-L381 HydrophobicContact CD1-CG 4.3Å; L377-L381 HydrophobicContact CG-CD1 4.07Å; L377-L381 WeakPolarHBondContact O-CB 3.41Å; L377-L381 VanDerWaalsContact O-CG 3.29Å; L377-L381 WeakPolarHBondContact O-CG 3.34Å; L377-L381 PolarHBondContact O-N 2.98Å; R379-L381 VanDerWaalsContact C-N 3.32Å; R379-L381 PolarHBondContact O-N 2.87Å; L381-E384 PolarHBondContact O-N 3.24Å; L381-C385 PolarHBondContact O-N 3.36Å; L381-C385 VanDerWaalsContact O-N 3.16Å; L381-C385 PolarHBondContact O-SG 3.42Å
382	G	87	Confident	83.2	Confident	30 Å²	30	43.1 Å²	43.1	31%	0.309	21%	0.211	S	C	.	.	H	α-helix	trans	-62.4	-42.5	172.9	0	0	0	0	0	112	Q378 R379 E380 C385	Q378-G382 PolarHBondContact O-N 2.67Å; R379-G382 WeakPolarHBondContact O-CA 3.34Å; R379-G382 PolarHBondContact O-N 2.85Å; R379-G382 VanDerWaalsContact O-N 3.1Å; E380-G382 VanDerWaalsContact C-N 3.32Å; E380-G382 PolarHBondContact O-N 2.77Å; G382-C385 PolarHBondContact O-N 3.14Å
383	W	85.9	Confident	84.8	Confident	69 Å²	69	41.6 Å²	41.6	26%	0.261	20%	0.201	S	C	.	.	H	α-helix	trans	-65.5	-37.4	175	-68.5	-16.6	0	0	0	113	R379 E380 C385 D386	R379-W383 HydrophobicContact CG-CD2 4.46Å; R379-W383 HydrophobicContact CG-CH2 4.43Å; R379-W383 HydrophobicContact CG-CZ2 3.86Å; R379-W383 PolarHBondContact O-N 3.23Å; E380-W383 WeakPolarHBondContact O-CB 3.23Å; E380-W383 PolarHBondContact O-N 3.05Å; W383-C385 PolarHBondContact O-N 3.38Å; W383-D386 PolarHBondContact O-N 2.89Å
384	E	85	Confident	86.3	Confident	11 Å²	11	40 Å²	40	5%	0.051	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-31.1	173.1	-72.3	-168.1	-174.2	0	0	112.5	K255 I320 E380 L381 D386 Y387	K255-E384 WeakPolarHBondContact CD-OE1 3.47Å; K255-E384 WeakPolarHBondContact CD-OE2 3.3Å; K255-E384 WeakPolarHBondContact CE-OE1 3.44Å; K255-E384 WeakPolarHBondContact CE-OE2 3.15Å; K255-E384 VanDerWaalsContact CG-OE2 3.28Å; K255-E384 WeakPolarHBondContact CG-OE2 3.44Å; K255-E384 VanDerWaalsContact NZ-CD 3.35Å; K255-E384 IonicContact NZ-OE1 2.75Å; K255-E384 PolarHBondContact NZ-OE1 3.32Å; K255-E384 IonicContact NZ-OE2 2.86Å; K255-E384 PolarHBondContact NZ-OE2 3.14Å; I320-E384 HydrophobicContact CD1-CB 3.99Å; I320-E384 WeakPolarHBondContact CD1-O 3.35Å; E380-E384 PolarHBondContact O-N 2.88Å; L381-E384 PolarHBondContact O-N 3.24Å; E384-D386 PolarHBondContact O-N 3.03Å; E384-Y387 WeakPolarHBondContact O-CE1 3.16Å
385	C	88.9	Confident	87.5	Confident	6 Å²	6	43 Å²	43	4%	0.041	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.7	179.4	-66.5	0	0	0	0	114.1	Q339 A344 L381 G382 W383	Q339-C385 PolarHBondContact NE2-O 2.81Å; A344-C385 HydrophobicContact CB-CB 3.96Å; L381-C385 PolarHBondContact O-N 3.36Å; L381-C385 VanDerWaalsContact O-N 3.16Å; L381-C385 PolarHBondContact O-SG 3.42Å; G382-C385 PolarHBondContact O-N 3.14Å; W383-C385 PolarHBondContact O-N 3.38Å
386	D	92.3	Very high	88.6	Confident	46 Å²	46	42.4 Å²	42.4	25%	0.246	20%	0.197	C	C	.	.			trans	-103.7	91	178.3	-168.7	-16.4	0	0	0	111.2	W383 E384 K388 R389 E390	W383-D386 PolarHBondContact O-N 2.89Å; E384-D386 PolarHBondContact O-N 3.03Å; D386-K388 PolarHBondContact O-N 2.9Å; D386-K388 WeakPolarHBondContact OD1-CB 3.47Å; D386-K388 PolarHBondContact OD1-N 3.37Å; D386-K388 VanDerWaalsContact OD1-N 3.07Å; D386-R389 HydrophobicContact CB-CB 4.11Å; D386-R389 WeakPolarHBondContact O-CB 3.44Å; D386-R389 PolarHBondContact O-N 3.01Å; D386-R389 PolarHBondContact OD1-N 3.5Å; D386-E390 PolarHBondContact O-N 3.3Å; D386-E390 VanDerWaalsContact O-N 3.16Å
387	Y	95.3	Very high	89.8	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-71.8	-14.5	180	-71.7	-8.8	0	0	0	114	I320 K337 Q339 E384 E390 A391 R419 R420 I422	I320-Y387 HydrophobicContact CD1-CE1 3.97Å; K337-Y387 HydrophobicContact CD-CE1 4.26Å; K337-Y387 HydrophobicContact CD-CE2 4.26Å; K337-Y387 VanDerWaalsContact CE-OH 3.3Å; K337-Y387 WeakPolarHBondContact CE-OH 3.28Å; K337-Y387 HydrophobicContact CG-CE2 4.01Å; Q339-Y387 HydrophobicContact CB-CE2 3.93Å; E384-Y387 WeakPolarHBondContact O-CE1 3.16Å; Y387-E390 WeakPolarHBondContact CD1-OE2 3.26Å; Y387-E390 WeakPolarHBondContact CE1-OE2 3.36Å; Y387-A391 VanDerWaalsContact O-CB 3.27Å; Y387-A391 WeakPolarHBondContact O-CB 3.5Å; Y387-A391 PolarHBondContact O-N 3.32Å; Y387-R419 WeakPolarHBondContact CB-O 3.46Å; Y387-R419 PolarHBondContact N-O 3.44Å; Y387-R419 VanDerWaalsContact N-O 3.07Å; Y387-R420 VanDerWaalsContact CD2-C 3.44Å; Y387-I422 HydrophobicContact CD1-CG2 4.4Å; Y387-I422 HydrophobicContact CD2-CB 4.19Å; Y387-I422 HydrophobicContact CD2-CG2 3.7Å; Y387-I422 HydrophobicContact CE2-CG2 4.15Å; Y387-I422 HydrophobicContact CG-CB 4.26Å; Y387-I422 HydrophobicContact CG-CG2 3.87Å
388	K	94.6	Very high	90.9	Very high	128 Å²	128	44.5 Å²	44.5	56%	0.557	20%	0.201	S	C	*	.	H	α-helix	trans	-68.8	-43.5	169.4	-69.8	-176.2	177.1	-177	0	110	D386 E390 A391 E392 A418	D386-K388 PolarHBondContact O-N 2.9Å; D386-K388 WeakPolarHBondContact OD1-CB 3.47Å; D386-K388 PolarHBondContact OD1-N 3.37Å; D386-K388 VanDerWaalsContact OD1-N 3.07Å; K388-E390 VanDerWaalsContact C-N 3.34Å; K388-A391 WeakPolarHBondContact O-CB 3.3Å; K388-A391 PolarHBondContact O-N 3.25Å; K388-E392 WeakPolarHBondContact O-CG 3.18Å; K388-E392 PolarHBondContact O-N 3.13Å; K388-A418 PolarHBondContact N-O 3.27Å
389	R	94.4	Very high	91.7	Very high	60 Å²	60	46 Å²	46	23%	0.226	22%	0.216	C	C	.	.	H	α-helix	trans	-62.6	-41.1	175.3	-175.5	-177.2	167.5	-75.9	2.1	111.7	D386 S393 G488 C490	D386-R389 HydrophobicContact CB-CB 4.11Å; D386-R389 WeakPolarHBondContact O-CB 3.44Å; D386-R389 PolarHBondContact O-N 3.01Å; D386-R389 PolarHBondContact OD1-N 3.5Å; R389-S393 WeakPolarHBondContact O-CB 3.32Å; R389-S393 PolarHBondContact O-N 3.36Å; R389-S393 PolarHBondContact O-OG 2.99Å; R389-G488 PolarHBondContact NH1-O 3.24Å; R389-C490 PolarHBondContact NH2-O 3.4Å
390	E	94.9	Very high	92.4	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.019	21%	0.209	C	C	.	.	H	α-helix	trans	-60.8	-47.3	173.5	-175.4	173.4	178.2	0	0	111.2	K337 D386 Y387 K388 E392 S393 A394 I422 F487	K337-E390 VanDerWaalsContact NZ-CD 3.26Å; K337-E390 IonicContact NZ-OE1 2.74Å; K337-E390 PolarHBondContact NZ-OE1 3.12Å; K337-E390 IonicContact NZ-OE2 3.84Å; K337-E390 PolarHBondContact NZ-OE2 3.33Å; D386-E390 PolarHBondContact O-N 3.3Å; D386-E390 VanDerWaalsContact O-N 3.16Å; Y387-E390 WeakPolarHBondContact CD1-OE2 3.26Å; Y387-E390 WeakPolarHBondContact CE1-OE2 3.36Å; K388-E390 VanDerWaalsContact C-N 3.34Å; E390-E392 PolarHBondContact O-N 3.21Å; E390-S393 WeakPolarHBondContact O-CB 3.5Å; E390-S393 PolarHBondContact O-N 2.93Å; E390-A394 WeakPolarHBondContact O-CB 3.45Å; E390-A394 PolarHBondContact O-N 3.02Å; E390-I422 HydrophobicContact CB-CD1 4.29Å; E390-I422 HydrophobicContact CG-CD1 3.97Å; E390-F487 HydrophobicContact CG-CB 4.2Å
391	A	95.9	Very high	93.1	Very high	4 Å²	4	43 Å²	43	3%	0.033	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-45.7	177.8	0	0	0	0	0	113.2	Y387 K388 S393 A394 K395 V412 I422	Y387-A391 VanDerWaalsContact O-CB 3.27Å; Y387-A391 WeakPolarHBondContact O-CB 3.5Å; Y387-A391 PolarHBondContact O-N 3.32Å; K388-A391 WeakPolarHBondContact O-CB 3.3Å; K388-A391 PolarHBondContact O-N 3.25Å; A391-S393 VanDerWaalsContact C-N 3.34Å; A391-A394 PolarHBondContact O-N 3.18Å; A391-K395 WeakPolarHBondContact O-CG 3.21Å; A391-K395 PolarHBondContact O-N 3.49Å; A391-V412 HydrophobicContact CB-CG1 3.88Å; A391-I422 HydrophobicContact CB-CD1 3.9Å; A391-I422 HydrophobicContact CB-CG1 4.41Å
392	E	95.8	Very high	93.7	Very high	111 Å²	111	50.5 Å²	50.5	52%	0.519	24%	0.244	S	C	.	.	H	α-helix	trans	-66.8	-37	177	-66.6	-51	125.3	0	0	112	K388 E390 K395 K396	K388-E392 WeakPolarHBondContact O-CG 3.18Å; K388-E392 PolarHBondContact O-N 3.13Å; E390-E392 PolarHBondContact O-N 3.21Å; E392-K395 PolarHBondContact O-N 3.2Å; E392-K395 IonicContact OE1-NZ 3.38Å; E392-K395 PolarHBondContact OE1-NZ 2.87Å; E392-K396 WeakPolarHBondContact O-CB 3.19Å; E392-K396 PolarHBondContact O-N 2.87Å
393	S	95.9	Very high	93.9	Very high	10 Å²	10	52.8 Å²	52.8	7%	0.07	27%	0.268	C	S	.	.	H	α-helix	trans	-64.4	-42.4	174.6	-58.6	0	0	0	0	111.5	R389 E390 A391 K396 F397	R389-S393 WeakPolarHBondContact O-CB 3.32Å; R389-S393 PolarHBondContact O-N 3.36Å; R389-S393 PolarHBondContact O-OG 2.99Å; E390-S393 WeakPolarHBondContact O-CB 3.5Å; E390-S393 PolarHBondContact O-N 2.93Å; A391-S393 VanDerWaalsContact C-N 3.34Å; S393-K396 PolarHBondContact O-N 3.36Å; S393-F397 WeakPolarHBondContact O-CD2 3.27Å; S393-F397 PolarHBondContact O-N 3.4Å
394	A	95.8	Very high	94.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-44	176.5	0	0	0	0	0	112.1	E390 A391 K396 F397 R398 V412 M424 F487	E390-A394 WeakPolarHBondContact O-CB 3.45Å; E390-A394 PolarHBondContact O-N 3.02Å; A391-A394 PolarHBondContact O-N 3.18Å; A394-K396 VanDerWaalsContact C-N 3.34Å; A394-K396 PolarHBondContact O-N 3.36Å; A394-F397 PolarHBondContact O-N 3.48Å; A394-R398 WeakPolarHBondContact O-CB 3.17Å; A394-R398 PolarHBondContact O-N 2.72Å; A394-V412 HydrophobicContact CB-CG2 3.78Å; A394-M424 HydrophobicContact CB-CE 3.89Å; A394-F487 HydrophobicContact CB-CB 4.29Å; A394-F487 HydrophobicContact CB-CD2 3.5Å; A394-F487 VanDerWaalsContact CB-CD2 3.5Å; A394-F487 HydrophobicContact CB-CE2 3.99Å; A394-F487 HydrophobicContact CB-CG 3.96Å
395	K	96.4	Very high	94.7	Very high	88 Å²	88	55.1 Å²	55.1	38%	0.383	29%	0.292	S	S	.	.	H	α-helix	trans	-60	-44.3	174.4	-71.1	172.6	-171.4	168.5	0	111.7	A391 E392 R398 S399 V412	A391-K395 WeakPolarHBondContact O-CG 3.21Å; A391-K395 PolarHBondContact O-N 3.49Å; E392-K395 PolarHBondContact O-N 3.2Å; E392-K395 IonicContact OE1-NZ 3.38Å; E392-K395 PolarHBondContact OE1-NZ 2.87Å; K395-R398 PolarHBondContact O-N 3.22Å; K395-S399 PolarHBondContact O-N 3.23Å; K395-S399 VanDerWaalsContact O-N 3.1Å; K395-V412 HydrophobicContact CG-CB 4.27Å; K395-V412 HydrophobicContact CG-CG2 4.23Å
396	K	96.7	Very high	95	Very high	100 Å²	100	55.3 Å²	55.3	44%	0.435	29%	0.291	S	S	.	.	H	α-helix	trans	-61.3	-47.4	176.6	-175.2	177	176.9	-172.8	0	111.3	E392 S393 A394 R398 S399 L400 F463	E392-K396 WeakPolarHBondContact O-CB 3.19Å; E392-K396 PolarHBondContact O-N 2.87Å; S393-K396 PolarHBondContact O-N 3.36Å; A394-K396 VanDerWaalsContact C-N 3.34Å; A394-K396 PolarHBondContact O-N 3.36Å; K396-R398 VanDerWaalsContact C-N 3.34Å; K396-R398 PolarHBondContact O-N 2.83Å; K396-S399 PolarHBondContact O-N 3.37Å; K396-L400 HydrophobicContact CG-CD1 4.14Å; K396-L400 WeakPolarHBondContact O-CG 3.25Å; K396-L400 PolarHBondContact O-N 3.33Å; K396-F463 HydrophobicContact CB-CE1 4.42Å; K396-F463 HydrophobicContact CD-CD1 3.89Å; K396-F463 HydrophobicContact CD-CE1 3.81Å; K396-F463 HydrophobicContact CD-CE2 4.46Å; K396-F463 HydrophobicContact CD-CG 4.24Å; K396-F463 HydrophobicContact CD-CZ 4.12Å; K396-F463 HydrophobicContact CG-CD1 4.36Å; K396-F463 HydrophobicContact CG-CE1 4.3Å
397	F	95.9	Very high	95.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-38.8	176.5	-98.3	-76	0	0	0	112.9	S393 A394 S399 L400 L401 V409 E457 F463 Q465 F487 C490	S393-F397 WeakPolarHBondContact O-CD2 3.27Å; S393-F397 PolarHBondContact O-N 3.4Å; A394-F397 PolarHBondContact O-N 3.48Å; F397-S399 VanDerWaalsContact C-N 3.28Å; F397-S399 PolarHBondContact O-N 2.88Å; F397-L400 PolarHBondContact O-N 3.04Å; F397-L401 HydrophobicContact CD1-CD1 4.24Å; F397-L401 WeakPolarHBondContact O-CB 3.2Å; F397-L401 PolarHBondContact O-N 3.48Å; F397-V409 HydrophobicContact CB-CG2 4.29Å; F397-E457 HydrophobicContact CE1-CG 4.11Å; F397-E457 HydrophobicContact CZ-CG 4.34Å; F397-E457 WeakPolarHBondContact CZ-OE1 3.48Å; F397-F463 AromaticContact CD2-CD1 3.75Å; F397-F463 HydrophobicContact CD2-CD1 3.75Å; F397-F463 AromaticContact CD2-CE1 3.47Å; F397-F463 HydrophobicContact CD2-CE1 3.47Å; F397-F463 VanDerWaalsContact CD2-CE1 3.47Å; F397-F463 AromaticContact CE2-CD1 3.3Å; F397-F463 HydrophobicContact CE2-CD1 3.3Å; F397-F463 AromaticContact CE2-CE1 3.29Å; F397-F463 HydrophobicContact CE2-CE1 3.29Å; F397-F463 HydrophobicContact CE2-CG 4.4Å; F397-F463 HydrophobicContact CE2-CZ 4.37Å; F397-F463 AromaticContact CZ-CD1 3.86Å; F397-F463 HydrophobicContact CZ-CD1 3.86Å; F397-F463 HydrophobicContact CZ-CE1 4.28Å; F397-F463 WeakPolarHBondContact CZ-O 3.11Å; F397-Q465 HydrophobicContact CE2-CB 4.38Å; F397-Q465 HydrophobicContact CZ-CB 4.16Å; F397-F487 HydrophobicContact CB-CD1 4.03Å; F397-F487 HydrophobicContact CB-CE1 3.5Å; F397-F487 HydrophobicContact CB-CZ 4.12Å; F397-F487 HydrophobicContact CD1-CE1 4.15Å; F397-F487 AromaticContact CD2-CD1 3.46Å; F397-F487 HydrophobicContact CD2-CD1 3.46Å; F397-F487 VanDerWaalsContact CD2-CD1 3.46Å; F397-F487 AromaticContact CD2-CE1 3.63Å; F397-F487 HydrophobicContact CD2-CE1 3.63Å; F397-F487 HydrophobicContact CE2-CD1 4.11Å; F397-F487 HydrophobicContact CE2-CE1 4.39Å; F397-F487 AromaticContact CG-CD1 3.85Å; F397-F487 HydrophobicContact CG-CD1 3.85Å; F397-F487 AromaticContact CG-CE1 3.49Å; F397-F487 HydrophobicContact CG-CE1 3.49Å; F397-F487 VanDerWaalsContact CG-CE1 3.49Å; F397-C490 HydrophobicContact CE2-CB 4.23Å; F397-C490 WeakPolarHBondContact CE2-SG 3.34Å
398	R	96	Very high	95.1	Very high	92 Å²	92	57 Å²	57	35%	0.347	30%	0.298	S	S	.	.	H	α-helix	trans	-60.2	-39	175	-174.3	171.3	172.5	122.3	-17.3	112	A394 K395 K396 L401 E402 V409 E425	A394-R398 WeakPolarHBondContact O-CB 3.17Å; A394-R398 PolarHBondContact O-N 2.72Å; K395-R398 PolarHBondContact O-N 3.22Å; K396-R398 VanDerWaalsContact C-N 3.34Å; K396-R398 PolarHBondContact O-N 2.83Å; R398-L401 CarbonylContact O-C 3.56Å; R398-E402 PolarHBondContact O-N 3.08Å; R398-E402 VanDerWaalsContact O-N 3.14Å; R398-V409 HydrophobicContact CB-CB 3.84Å; R398-V409 HydrophobicContact CB-CG1 3.96Å; R398-V409 HydrophobicContact CG-CB 4.26Å; R398-V409 PolarHBondContact NH1-O 3.49Å; R398-E425 IonicContact NH1-OE2 2.66Å; R398-E425 PolarHBondContact NH1-OE2 3.36Å; R398-E425 IonicContact NH2-OE2 2.75Å
399	S	96.7	Very high	95.2	Very high	78 Å²	78	51.1 Å²	51.1	55%	0.545	27%	0.273	S	S	.	.	H	α-helix	trans	-71.1	-40.7	174.9	179.5	0	0	0	0	112.5	K395 K396 F397 L401 E402	K395-S399 PolarHBondContact O-N 3.23Å; K395-S399 VanDerWaalsContact O-N 3.1Å; K396-S399 PolarHBondContact O-N 3.37Å; F397-S399 VanDerWaalsContact C-N 3.28Å; F397-S399 PolarHBondContact O-N 2.88Å; S399-L401 VanDerWaalsContact C-N 3.25Å; S399-L401 PolarHBondContact O-N 2.96Å; S399-E402 VanDerWaalsContact O-CB 3.3Å; S399-E402 WeakPolarHBondContact O-CB 3.48Å; S399-E402 PolarHBondContact O-N 2.73Å
400	L	95.5	Very high	95.2	Very high	54 Å²	54	48.3 Å²	48.3	28%	0.283	26%	0.262	S	S	.	.	H	α-helix	trans	-65.1	-29.3	177.2	-69.9	169.3	0	0	0	113.1	K396 F397 F461 F463	K396-L400 HydrophobicContact CG-CD1 4.14Å; K396-L400 WeakPolarHBondContact O-CG 3.25Å; K396-L400 PolarHBondContact O-N 3.33Å; F397-L400 PolarHBondContact O-N 3.04Å; L400-F461 HydrophobicContact CB-CD1 4.34Å; L400-F461 HydrophobicContact CB-CD2 4.5Å; L400-F461 HydrophobicContact CB-CE1 4.3Å; L400-F461 HydrophobicContact CB-CE2 4.48Å; L400-F461 HydrophobicContact CB-CG 4.46Å; L400-F461 HydrophobicContact CB-CZ 4.37Å; L400-F461 HydrophobicContact CD1-CB 3.97Å; L400-F461 HydrophobicContact CD1-CD1 4.49Å; L400-F461 HydrophobicContact CD1-CD2 4.27Å; L400-F461 HydrophobicContact CD1-CG 4.01Å; L400-F461 HydrophobicContact CD2-CB 4.43Å; L400-F461 HydrophobicContact CD2-CD1 3.92Å; L400-F461 HydrophobicContact CD2-CE1 4.48Å; L400-F461 HydrophobicContact CD2-CG 4.24Å; L400-F461 HydrophobicContact CG-CD1 4.48Å; L400-F461 HydrophobicContact CG-CG 4.48Å; L400-F463 HydrophobicContact CD1-CD1 4.28Å
401	L	95.5	Very high	95.3	Very high	9 Å²	9	51.5 Å²	51.5	5%	0.047	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	16.6	178.8	-63.6	171.4	0	0	0	112.3	F397 R398 S399 G403 D404 F407 V409 L453 F461 L484	F397-L401 HydrophobicContact CD1-CD1 4.24Å; F397-L401 WeakPolarHBondContact O-CB 3.2Å; F397-L401 PolarHBondContact O-N 3.48Å; R398-L401 CarbonylContact O-C 3.56Å; S399-L401 VanDerWaalsContact C-N 3.25Å; S399-L401 PolarHBondContact O-N 2.96Å; L401-G403 PolarHBondContact O-N 3.09Å; L401-D404 HydrophobicContact CB-CB 4.32Å; L401-D404 HydrophobicContact CD2-CB 4.45Å; L401-D404 VanDerWaalsContact O-CB 3.3Å; L401-D404 WeakPolarHBondContact O-CB 3.36Å; L401-D404 PolarHBondContact O-N 2.92Å; L401-D404 VanDerWaalsContact O-N 3.11Å; L401-F407 HydrophobicContact CD1-CB 4.07Å; L401-F407 HydrophobicContact CD2-CB 4.32Å; L401-V409 HydrophobicContact CD1-CG2 3.86Å; L401-L453 HydrophobicContact CD2-CD1 3.99Å; L401-F461 HydrophobicContact CD2-CE2 4.16Å; L401-F461 HydrophobicContact CD2-CZ 4.08Å; L401-L484 HydrophobicContact CD1-CD1 3.61Å
402	E	93.9	Very high	95.4	Very high	160 Å²	160	52 Å²	52	75%	0.748	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	127.4	177.2	-172.2	169.9	-164.4	0	0	110.2	R398 S399 D404	R398-E402 PolarHBondContact O-N 3.08Å; R398-E402 VanDerWaalsContact O-N 3.14Å; S399-E402 VanDerWaalsContact O-CB 3.3Å; S399-E402 WeakPolarHBondContact O-CB 3.48Å; S399-E402 PolarHBondContact O-N 2.73Å; E402-D404 PolarHBondContact O-N 3.18Å
403	G	90.9	Very high	95.4	Very high	79 Å²	79	47.1 Å²	47.1	81%	0.814	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	3.3	-176.3	0	0	0	0	0	115.1	L401	L401-G403 PolarHBondContact O-N 3.09Å
404	D	94	Very high	95.4	Very high	21 Å²	21	48.8 Å²	48.8	11%	0.112	28%	0.276	C	S	.	.			trans	-63.6	130.1	177.6	-165.4	-75.3	0	0	0	110.8	L401 E402 Y406 F407 R456 K481	L401-D404 HydrophobicContact CB-CB 4.32Å; L401-D404 HydrophobicContact CD2-CB 4.45Å; L401-D404 VanDerWaalsContact O-CB 3.3Å; L401-D404 WeakPolarHBondContact O-CB 3.36Å; L401-D404 PolarHBondContact O-N 2.92Å; L401-D404 VanDerWaalsContact O-N 3.11Å; E402-D404 PolarHBondContact O-N 3.18Å; D404-Y406 VanDerWaalsContact C-N 3.25Å; D404-Y406 PolarHBondContact O-N 3.38Å; D404-Y406 PolarHBondContact OD1-N 2.96Å; D404-F407 HydrophobicContact CB-CB 4.47Å; D404-F407 PolarHBondContact OD1-N 2.91Å; D404-R456 IonicContact OD2-NH1 3.98Å; D404-R456 PolarHBondContact OD2-NH1 2.89Å; D404-K481 PolarHBondContact O-NZ 3.43Å
405	P	93.2	Very high	95.2	Very high	108 Å²	108	54.2 Å²	54.2	70%	0.701	30%	0.301	S	S	*	.	S	Bend	trans	-69.7	-24.7	-176.3	27.9	-34.9	0	0	0	112.4	K481	P405-K481 VanDerWaalsContact O-CE 3.25Å; P405-K481 WeakPolarHBondContact O-CE 3.1Å
406	Y	95.3	Very high	95.2	Very high	9 Å²	9	50 Å²	50	4%	0.035	28%	0.283	C	S	.	.	S	Bend	trans	-114.2	-35.6	-170.1	-162.7	-105.6	0	0	0	113.5	D404 Q445 I446 N449 N480 K481 V482	D404-Y406 VanDerWaalsContact C-N 3.25Å; D404-Y406 PolarHBondContact O-N 3.38Å; D404-Y406 PolarHBondContact OD1-N 2.96Å; Y406-Q445 HydrophobicContact CE2-CG 4.02Å; Y406-I446 VanDerWaalsContact OH-CA 3.31Å; Y406-I446 WeakPolarHBondContact OH-CA 3.47Å; Y406-I446 WeakPolarHBondContact OH-CG1 3.4Å; Y406-N449 HydrophobicContact CD1-CB 3.32Å; Y406-N449 VanDerWaalsContact CD1-CG 3.47Å; Y406-N449 HydrophobicContact CE1-CB 3.4Å; Y406-N449 VanDerWaalsContact CE1-CB 3.4Å; Y406-N449 HydrophobicContact CG-CB 4.1Å; Y406-N480 WeakPolarHBondContact CD2-O 3.42Å; Y406-N480 WeakPolarHBondContact CE2-O 3.42Å; Y406-K481 CarbonylContact O-C 3.5Å; Y406-K481 WeakPolarHBondContact O-CA 3.42Å; Y406-K481 WeakPolarHBondContact O-CB 3.08Å; Y406-V482 HydrophobicContact CD1-CB 4.46Å; Y406-V482 HydrophobicContact CD1-CG2 4.2Å; Y406-V482 HydrophobicContact CE1-CB 4.13Å; Y406-V482 HydrophobicContact CE1-CG2 3.42Å; Y406-V482 VanDerWaalsContact CE1-CG2 3.42Å; Y406-V482 PolarHBondContact O-N 3.24Å
407	F	95.6	Very high	95.2	Very high	5 Å²	5	46.5 Å²	46.5	2%	0.022	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	147.7	-178.5	-66.4	-71.5	0	0	0	113.1	L401 D404 N449 I450 L453 V482 L484	L401-F407 HydrophobicContact CD1-CB 4.07Å; L401-F407 HydrophobicContact CD2-CB 4.32Å; D404-F407 HydrophobicContact CB-CB 4.47Å; D404-F407 PolarHBondContact OD1-N 2.91Å; F407-N449 HydrophobicContact CE2-CB 3.99Å; F407-N449 WeakPolarHBondContact CE2-O 3.21Å; F407-N449 HydrophobicContact CZ-CB 3.86Å; F407-N449 VanDerWaalsContact CZ-O 3.29Å; F407-N449 WeakPolarHBondContact CZ-O 3.3Å; F407-I450 HydrophobicContact CE1-CD1 4Å; F407-I450 HydrophobicContact CZ-CD1 4.29Å; F407-L453 HydrophobicContact CD1-CD2 4.01Å; F407-L453 HydrophobicContact CD2-CD1 4.44Å; F407-L453 HydrophobicContact CD2-CD2 4.4Å; F407-L453 HydrophobicContact CE1-CD2 3.69Å; F407-L453 HydrophobicContact CE2-CB 3.71Å; F407-L453 HydrophobicContact CE2-CD1 4.44Å; F407-L453 HydrophobicContact CE2-CD2 4.11Å; F407-L453 HydrophobicContact CE2-CG 4.3Å; F407-L453 HydrophobicContact CG-CD2 4.35Å; F407-L453 HydrophobicContact CZ-CB 3.72Å; F407-L453 HydrophobicContact CZ-CD2 3.73Å; F407-L453 HydrophobicContact CZ-CG 4.28Å; F407-V482 WeakPolarHBondContact CA-O 3.29Å; F407-V482 HydrophobicContact CD1-CB 3.95Å; F407-V482 HydrophobicContact CD1-CG1 4.2Å; F407-V482 HydrophobicContact CE1-CB 3.94Å; F407-V482 HydrophobicContact CE1-CG1 4.04Å; F407-L484 HydrophobicContact CD1-CD1 4.38Å; F407-L484 HydrophobicContact CD1-CD2 4.07Å; F407-L484 HydrophobicContact CD1-CG 4.35Å; F407-L484 HydrophobicContact CE1-CD2 4.41Å
408	Q	94.9	Very high	95.2	Very high	78 Å²	78	47 Å²	47	36%	0.364	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	142.4	173.5	-177.9	177.2	-1.4	0	0	110.3	K481 V482 V483 L484	Q408-K481 HydrophobicContact CB-CD 4.43Å; Q408-V482 PolarHBondContact N-O 3.37Å; Q408-V483 HydrophobicContact CB-CG2 4.35Å; Q408-V483 CarbonylContact O-C 3.53Å; Q408-V483 VanDerWaalsContact O-CA 3.3Å; Q408-V483 WeakPolarHBondContact O-CA 3.46Å; Q408-L484 PolarHBondContact O-N 3.49Å
409	V	95.8	Very high	95.1	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.024	28%	0.282	C	S	.	.			trans	-121.2	125.4	173.3	-177.3	0	0	0	0	107.8	F397 R398 L401 L484 F487	F397-V409 HydrophobicContact CB-CG2 4.29Å; R398-V409 HydrophobicContact CB-CB 3.84Å; R398-V409 HydrophobicContact CB-CG1 3.96Å; R398-V409 HydrophobicContact CG-CB 4.26Å; R398-V409 PolarHBondContact NH1-O 3.49Å; L401-V409 HydrophobicContact CD1-CG2 3.86Å; V409-L484 HydrophobicContact CG2-CB 4.36Å; V409-L484 HydrophobicContact CG2-CD1 4.29Å; V409-F487 HydrophobicContact CB-CZ 4.35Å; V409-F487 HydrophobicContact CG1-CE2 3.64Å; V409-F487 HydrophobicContact CG1-CZ 3.54Å; V409-F487 HydrophobicContact CG2-CZ 3.93Å
410	P	95.4	Very high	95	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-67.6	154.8	-178.9	20.3	-21.7	0	0	0	112.3	M424 E425 V427 V483 L484 L485	P410-M424 HydrophobicContact CB-CB 4.36Å; P410-M424 HydrophobicContact CB-CE 4.35Å; P410-M424 HydrophobicContact CG-CB 4.4Å; P410-M424 HydrophobicContact CG-CE 3.63Å; P410-M424 HydrophobicContact CG-SD 4.47Å; P410-E425 HydrophobicContact CB-CB 3.86Å; P410-V427 HydrophobicContact CB-CG1 3.79Å; P410-V427 HydrophobicContact CG-CG1 3.73Å; P410-V483 HydrophobicContact CG-CG1 4.39Å; P410-L484 WeakPolarHBondContact CD-O 3.46Å; P410-L485 HydrophobicContact CG-CD2 3.54Å
411	E	96.1	Very high	95.1	Very high	70 Å²	70	44.6 Å²	44.6	33%	0.327	25%	0.25	S	C	.	.	P	Polyproline II helix	trans	-72.4	137.3	-178.2	-166.4	-171.9	147.2	0	0	109.2	R332 M424 E425	R332-E411 IonicContact NH1-OE1 3.88Å; R332-E411 IonicContact NH1-OE2 3.55Å; R332-E411 PolarHBondContact NH1-OE2 3.24Å; E411-M424 CarbonylContact O-C 3.6Å; E411-M424 WeakPolarHBondContact O-CA 3.36Å; E411-E425 HydrophobicContact CB-CG 3.7Å; E411-E425 VanDerWaalsContact CB-OE2 3.31Å; E411-E425 WeakPolarHBondContact CB-OE2 3.5Å; E411-E425 PolarHBondContact N-OE2 2.97Å; E411-E425 PolarHBondContact O-N 3.18Å
412	V	97.4	Very high	95.1	Very high	14 Å²	14	44.3 Å²	44.3	9%	0.085	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-85.6	123.5	173.1	178.5	0	0	0	0	109.4	A391 A394 K395 G414 M424	A391-V412 HydrophobicContact CB-CG1 3.88Å; A394-V412 HydrophobicContact CB-CG2 3.78Å; K395-V412 HydrophobicContact CG-CB 4.27Å; K395-V412 HydrophobicContact CG-CG2 4.23Å; V412-G414 PolarHBondContact O-N 3.17Å; V412-G414 VanDerWaalsContact O-N 3.14Å; V412-M424 HydrophobicContact CG2-CE 4.01Å; V412-M424 HydrophobicContact CG2-CG 4.26Å
413	I	97.1	Very high	95.3	Very high	9 Å²	9	36.7 Å²	36.7	5%	0.046	21%	0.213	C	C	.	.			trans	-84.3	91.3	177	-47.5	-54.9	0	0	0	108.8	L328 I334 E415 L416 S417 S423	L328-I413 HydrophobicContact CD1-CD1 4.12Å; L328-I413 HydrophobicContact CD1-CG1 4.38Å; L328-I413 HydrophobicContact CD1-CG2 4.3Å; L328-I413 HydrophobicContact CD2-CG2 4.28Å; I334-I413 HydrophobicContact CG2-CG1 3.96Å; I413-E415 VanDerWaalsContact C-N 3.31Å; I413-E415 HydrophobicContact CG2-CG 3.78Å; I413-E415 PolarHBondContact O-N 2.92Å; I413-L416 HydrophobicContact CG2-CB 4.2Å; I413-L416 HydrophobicContact CG2-CD1 4.23Å; I413-L416 HydrophobicContact CG2-CG 4.39Å; I413-L416 CarbonylContact O-C 3.46Å; I413-L416 PolarHBondContact O-N 3.41Å; I413-L416 VanDerWaalsContact O-N 3.12Å; I413-S417 WeakPolarHBondContact O-CB 3.15Å; I413-S417 PolarHBondContact O-N 3.3Å; I413-S417 PolarHBondContact O-OG 2.85Å; I413-S423 PolarHBondContact N-O 3.01Å
414	G	94.7	Very high	95.6	Very high	45 Å²	45	33.6 Å²	33.6	46%	0.464	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-57.8	-37.6	-172.6	0	0	0	0	0	114.3	V412 L416 S417	V412-G414 PolarHBondContact O-N 3.17Å; V412-G414 VanDerWaalsContact O-N 3.14Å; G414-L416 PolarHBondContact O-N 3.32Å; G414-S417 PolarHBondContact O-N 3.28Å; G414-S417 VanDerWaalsContact O-N 3.17Å
415	E	92.9	Very high	95.7	Very high	115 Å²	115	34.8 Å²	34.8	54%	0.537	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-68.2	-15.3	-179.9	56.4	168.9	-159.6	0	0	114.9	K306 I413	K306-E415 PolarHBondContact NZ-O 3.38Å; I413-E415 VanDerWaalsContact C-N 3.31Å; I413-E415 HydrophobicContact CG2-CG 3.78Å; I413-E415 PolarHBondContact O-N 2.92Å
416	L	95.8	Very high	95.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-120.3	23.8	177.5	-67.8	174.5	0	0	0	111.4	L299 K306 L307 L328 I334 M336 I413 G414 S423	L299-L416 HydrophobicContact CD1-CD2 4.1Å; K306-L416 HydrophobicContact CB-CD2 3.99Å; K306-L416 HydrophobicContact CD-CD2 3.67Å; K306-L416 HydrophobicContact CD-CG 4.48Å; K306-L416 HydrophobicContact CG-CD2 4.49Å; L307-L416 HydrophobicContact CD2-CD1 3.66Å; L307-L416 HydrophobicContact CG-CD1 4.26Å; L328-L416 HydrophobicContact CD2-CD1 3.63Å; I334-L416 HydrophobicContact CD1-CD1 3.69Å; M336-L416 HydrophobicContact CE-CB 4.24Å; M336-L416 HydrophobicContact CE-CD1 4.02Å; M336-L416 HydrophobicContact CE-CD2 4.25Å; M336-L416 HydrophobicContact CE-CG 4.42Å; I413-L416 HydrophobicContact CG2-CB 4.2Å; I413-L416 HydrophobicContact CG2-CD1 4.23Å; I413-L416 HydrophobicContact CG2-CG 4.39Å; I413-L416 CarbonylContact O-C 3.46Å; I413-L416 PolarHBondContact O-N 3.41Å; I413-L416 VanDerWaalsContact O-N 3.12Å; G414-L416 PolarHBondContact O-N 3.32Å; L416-S423 WeakPolarHBondContact CB-OG 3.39Å; L416-S423 WeakPolarHBondContact O-CB 3.38Å; L416-S423 PolarHBondContact O-OG 2.87Å
417	S	96.7	Very high	95.5	Very high	26 Å²	26	32.3 Å²	32.3	18%	0.182	17%	0.165	C	C	.	.			trans	-126.7	135.2	177.4	-59.6	0	0	0	0	110.5	I413 G414 V421 S423	I413-S417 WeakPolarHBondContact O-CB 3.15Å; I413-S417 PolarHBondContact O-N 3.3Å; I413-S417 PolarHBondContact O-OG 2.85Å; G414-S417 PolarHBondContact O-N 3.28Å; G414-S417 VanDerWaalsContact O-N 3.17Å; S417-V421 CarbonylContact C-O 3.6Å; S417-V421 WeakPolarHBondContact CA-O 3.5Å; S417-S423 PolarHBondContact OG-N 3.06Å
418	A	95.9	Very high	94.9	Very high	9 Å²	9	36.1 Å²	36.1	7%	0.074	18%	0.183	C	C	.	.			trans	-148.7	-160.6	-174.7	0	0	0	0	0	109.5	E298 L299 K388 V421	E298-A418 HydrophobicContact CB-CB 3.91Å; E298-A418 HydrophobicContact CG-CB 4.46Å; E298-A418 WeakPolarHBondContact OE2-CB 3.28Å; L299-A418 HydrophobicContact CD2-CB 4.03Å; K388-A418 PolarHBondContact N-O 3.27Å; A418-V421 CarbonylContact C-O 3.52Å; A418-V421 PolarHBondContact N-O 3.34Å; A418-V421 VanDerWaalsContact O-O 3.09Å
419	R	94.4	Very high	94.5	Very high	131 Å²	131	33.2 Å²	33.2	49%	0.494	17%	0.174	S	C	.	.	S	Bend	trans	-73.5	-35.3	-176.5	-177.1	-179.9	165.1	105.2	-4.5	112.1	E298 Y387	E298-R419 WeakPolarHBondContact OE2-CA 3.3Å; E298-R419 WeakPolarHBondContact OE2-CB 3.49Å; E298-R419 PolarHBondContact OE2-N 2.65Å; Y387-R419 WeakPolarHBondContact CB-O 3.46Å; Y387-R419 PolarHBondContact N-O 3.44Å; Y387-R419 VanDerWaalsContact N-O 3.07Å
420	R	95.1	Very high	94.1	Very high	43 Å²	43	36.1 Å²	36.1	16%	0.162	19%	0.191	C	C	.	.	S	Bend	trans	-115	4.9	-177.7	-60	179.3	-73.9	160.6	5.1	114	V294 E297 E298 Q339 Y387	V294-R420 HydrophobicContact CG1-CB 4.13Å; E297-R420 IonicContact OE2-CZ 3.58Å; E297-R420 VanDerWaalsContact OE2-CZ 3.25Å; E297-R420 IonicContact OE2-NH1 2.91Å; E297-R420 PolarHBondContact OE2-NH1 3.46Å; E297-R420 IonicContact OE2-NH2 3.72Å; E297-R420 PolarHBondContact OE2-NH2 3.46Å; E298-R420 HydrophobicContact CG-CB 3.82Å; E298-R420 IonicContact OE1-CZ 3.9Å; E298-R420 IonicContact OE1-NE 3.73Å; E298-R420 PolarHBondContact OE1-NE 3Å; E298-R420 IonicContact OE1-NH2 3.44Å; E298-R420 PolarHBondContact OE1-NH2 2.9Å; E298-R420 PolarHBondContact OE2-N 3.01Å; Q339-R420 HydrophobicContact CB-CB 4.01Å; Q339-R420 WeakPolarHBondContact CB-O 3.35Å; Q339-R420 PolarHBondContact N-O 3.02Å; Y387-R420 VanDerWaalsContact CD2-C 3.44Å
421	V	96.4	Very high	93.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	132.1	176.9	-175.8	0	0	0	0	109.2	V294 L295 E298 L299 M336 K337 I338 S417 A418	V294-V421 HydrophobicContact CG1-CG2 4.32Å; L295-V421 HydrophobicContact CD2-CG1 4.12Å; L295-V421 HydrophobicContact CD2-CG2 3.93Å; E298-V421 HydrophobicContact CB-CG2 4.02Å; E298-V421 HydrophobicContact CG-CG2 4.14Å; L299-V421 HydrophobicContact CD1-CG1 4.19Å; M336-V421 HydrophobicContact CG-CG1 3.74Å; M336-V421 HydrophobicContact SD-CG1 4.11Å; K337-V421 WeakPolarHBondContact O-CA 3.25Å; I338-V421 HydrophobicContact CG1-CG1 4.44Å; I338-V421 HydrophobicContact CG2-CG2 4.47Å; S417-V421 CarbonylContact C-O 3.6Å; S417-V421 WeakPolarHBondContact CA-O 3.5Å; A418-V421 CarbonylContact C-O 3.52Å; A418-V421 PolarHBondContact N-O 3.34Å; A418-V421 VanDerWaalsContact O-O 3.09Å
422	I	96.7	Very high	93.2	Very high	3 Å²	3	34 Å²	34	2%	0.015	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.6	169.4	-178.4	173.2	0	0	0	109.1	K337 Y387 E390 A391 M424	K337-I422 HydrophobicContact CB-CG2 3.74Å; K337-I422 HydrophobicContact CD-CG2 3.78Å; K337-I422 HydrophobicContact CG-CG2 4.19Å; K337-I422 PolarHBondContact N-O 3.24Å; K337-I422 PolarHBondContact O-N 3.46Å; Y387-I422 HydrophobicContact CD1-CG2 4.4Å; Y387-I422 HydrophobicContact CD2-CB 4.19Å; Y387-I422 HydrophobicContact CD2-CG2 3.7Å; Y387-I422 HydrophobicContact CE2-CG2 4.15Å; Y387-I422 HydrophobicContact CG-CB 4.26Å; Y387-I422 HydrophobicContact CG-CG2 3.87Å; E390-I422 HydrophobicContact CB-CD1 4.29Å; E390-I422 HydrophobicContact CG-CD1 3.97Å; A391-I422 HydrophobicContact CB-CD1 3.9Å; A391-I422 HydrophobicContact CB-CG1 4.41Å; I422-M424 HydrophobicContact CD1-CG 4.43Å; I422-M424 HydrophobicContact CD1-SD 4.31Å; I422-M424 HydrophobicContact CG1-CG 4.22Å
423	S	96.9	Very high	92.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	129.9	179.4	-62.1	0	0	0	0	109.9	A335 M336 I413 L416 S417	A335-S423 WeakPolarHBondContact O-CA 3.48Å; M336-S423 WeakPolarHBondContact CE-OG 3.48Å; M336-S423 WeakPolarHBondContact CG-OG 3.24Å; I413-S423 PolarHBondContact N-O 3.01Å; L416-S423 WeakPolarHBondContact CB-OG 3.39Å; L416-S423 WeakPolarHBondContact O-CB 3.38Å; L416-S423 PolarHBondContact O-OG 2.87Å; S417-S423 PolarHBondContact OG-N 3.06Å
424	M	97.1	Very high	91.6	Very high	15 Å²	15	38.1 Å²	38.1	7%	0.074	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	161.2	178.2	-58.1	178	83.2	0	0	110.7	I334 A335 A394 P410 E411 V412 I422 L426 F487	I334-M424 CarbonylContact C-O 3.59Å; I334-M424 VanDerWaalsContact CA-O 3.27Å; I334-M424 WeakPolarHBondContact CA-O 3.09Å; I334-M424 WeakPolarHBondContact CB-O 3.11Å; A335-M424 PolarHBondContact N-O 3.44Å; A335-M424 PolarHBondContact O-N 2.86Å; A394-M424 HydrophobicContact CB-CE 3.89Å; P410-M424 HydrophobicContact CB-CB 4.36Å; P410-M424 HydrophobicContact CB-CE 4.35Å; P410-M424 HydrophobicContact CG-CB 4.4Å; P410-M424 HydrophobicContact CG-CE 3.63Å; P410-M424 HydrophobicContact CG-SD 4.47Å; E411-M424 CarbonylContact O-C 3.6Å; E411-M424 WeakPolarHBondContact O-CA 3.36Å; V412-M424 HydrophobicContact CG2-CE 4.01Å; V412-M424 HydrophobicContact CG2-CG 4.26Å; I422-M424 HydrophobicContact CD1-CG 4.43Å; I422-M424 HydrophobicContact CD1-SD 4.31Å; I422-M424 HydrophobicContact CG1-CG 4.22Å; M424-L426 PolarHBondContact O-N 3.43Å; M424-F487 HydrophobicContact CE-CE2 4.47Å
425	E	95.8	Very high	91.1	Very high	46 Å²	46	36 Å²	36	22%	0.215	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	136.7	169.3	-68.7	174.6	138.5	0	0	110.8	R398 P410 E411 V427	R398-E425 IonicContact NH1-OE2 2.66Å; R398-E425 PolarHBondContact NH1-OE2 3.36Å; R398-E425 IonicContact NH2-OE2 2.75Å; P410-E425 HydrophobicContact CB-CB 3.86Å; E411-E425 HydrophobicContact CB-CG 3.7Å; E411-E425 VanDerWaalsContact CB-OE2 3.31Å; E411-E425 WeakPolarHBondContact CB-OE2 3.5Å; E411-E425 PolarHBondContact N-OE2 2.97Å; E411-E425 PolarHBondContact O-N 3.18Å; E425-V427 PolarHBondContact O-N 2.87Å
426	L	93.6	Very high	90.8	Very high	33 Å²	33	33.6 Å²	33.6	17%	0.173	18%	0.178	C	C	.	.			trans	-68.7	131.8	174.9	-172.8	71.3	0	0	0	109.6	F315 E333 A335 M424	F315-L426 HydrophobicContact CE1-CD1 4.31Å; F315-L426 HydrophobicContact CZ-CD1 3.92Å; E333-L426 HydrophobicContact CB-CB 3.88Å; E333-L426 HydrophobicContact CB-CD2 3.99Å; E333-L426 PolarHBondContact O-N 3.12Å; E333-L426 VanDerWaalsContact OE2-CD2 3.3Å; E333-L426 WeakPolarHBondContact OE2-CD2 3.13Å; A335-L426 HydrophobicContact CB-CD1 3.98Å; M424-L426 PolarHBondContact O-N 3.43Å
427	V	90.7	Very high	90.4	Very high	32 Å²	32	41.2 Å²	41.2	19%	0.194	22%	0.219	C	C	.	.			trans	-107.6	157.1	-179.5	-52.4	0	0	0	0	111.4	P410 E425 V483 L485	P410-V427 HydrophobicContact CB-CG1 3.79Å; P410-V427 HydrophobicContact CG-CG1 3.73Å; E425-V427 PolarHBondContact O-N 2.87Å; V427-V483 HydrophobicContact CB-CB 4.47Å; V427-V483 HydrophobicContact CB-CG1 3.93Å; V427-V483 HydrophobicContact CG1-CG1 3.51Å; V427-V483 HydrophobicContact CG2-CG1 4.37Å; V427-L485 HydrophobicContact CB-CD2 4.44Å; V427-L485 HydrophobicContact CG1-CD2 3.83Å; V427-L485 HydrophobicContact CG2-CD1 3.79Å; V427-L485 HydrophobicContact CG2-CD2 3.75Å; V427-L485 HydrophobicContact CG2-CG 4.15Å
428	Q	84.7	Confident	90.1	Very high	85 Å²	85	42.7 Å²	42.7	40%	0.397	23%	0.225	S	C	.	.			trans	-121.4	139.1	176.9	-58.3	179.9	13.4	0	0	109.2	P169 N476	P169-Q428 HydrophobicContact CB-CG 4.13Å; Q428-N476 PolarHBondContact O-ND2 3.07Å
429	G	86.2	Confident	89.9	Confident	17 Å²	17	46.2 Å²	46.2	18%	0.175	24%	0.243	C	C	.	.			trans	160.1	178.2	175.6	0	0	0	0	0	112.7	Y475	G429-Y475 CarbonylContact C-O 3.5Å; G429-Y475 WeakPolarHBondContact CA-O 3.1Å
430	V	86.6	Confident	89.9	Confident	65 Å²	65	43.8 Å²	43.8	39%	0.394	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	132.7	173.2	-178.2	0	0	0	0	108.2	L432 C434 F474 Y475	V430-L432 PolarHBondContact O-N 3.1Å; V430-C434 HydrophobicContact CG1-CB 3.83Å; V430-F474 CarbonylContact O-C 3.59Å; V430-Y475 PolarHBondContact N-O 3.41Å; V430-Y475 PolarHBondContact O-N 3.46Å
431	P	86.9	Confident	89.9	Confident	25 Å²	25	49.3 Å²	49.3	16%	0.162	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	139.2	172.2	-28.6	36.9	0	0	0	112.2	D433 C434 C435 F473 F474	P431-D433 WeakPolarHBondContact CB-OD1 3.32Å; P431-D433 PolarHBondContact O-N 2.86Å; P431-C434 WeakPolarHBondContact O-CB 3.49Å; P431-C434 PolarHBondContact O-N 3.16Å; P431-C435 PolarHBondContact O-SG 3.23Å; P431-F473 CarbonylContact C-O 3.58Å; P431-F473 WeakPolarHBondContact CA-O 3.48Å; P431-F474 HydrophobicContact CG-CD1 4.36Å; P431-F474 HydrophobicContact CG-CE1 3.83Å; P431-F474 HydrophobicContact CG-CZ 4.08Å
432	L	85.3	Confident	89.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-59.7	-31.3	-177.7	-70.9	-168.8	0	0	0	113.1	V430 C434 C435 I446 I450 W470 F473 V482	V430-L432 PolarHBondContact O-N 3.1Å; L432-C434 PolarHBondContact O-N 3.47Å; L432-C435 WeakPolarHBondContact O-CB 3.35Å; L432-C435 PolarHBondContact O-N 2.84Å; L432-C435 VanDerWaalsContact O-N 3.08Å; L432-I446 HydrophobicContact CD1-CG2 4.06Å; L432-I446 HydrophobicContact CD2-CD1 4.33Å; L432-I446 HydrophobicContact CD2-CG2 3.74Å; L432-I446 HydrophobicContact CG-CG2 4.5Å; L432-I450 HydrophobicContact CD1-CD1 3.85Å; L432-I450 HydrophobicContact CD1-CG1 4.07Å; L432-W470 HydrophobicContact CB-CB 4.43Å; L432-W470 HydrophobicContact CD1-CE3 4.49Å; L432-F473 HydrophobicContact CB-CB 4.33Å; L432-F473 HydrophobicContact CD1-CB 3.45Å; L432-F473 VanDerWaalsContact CD1-CB 3.45Å; L432-F473 HydrophobicContact CD1-CD1 4.34Å; L432-F473 HydrophobicContact CD1-CG 4.14Å; L432-F473 HydrophobicContact CG-CB 3.58Å; L432-F473 PolarHBondContact N-O 3.49Å; L432-V482 HydrophobicContact CD1-CG1 4.33Å; L432-V482 HydrophobicContact CD2-CG2 4.34Å
433	D	78.8	Confident	89.7	Confident	32 Å²	32	51.7 Å²	51.7	17%	0.171	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-71	-12.2	178.8	69.8	-23.8	0	0	0	114	R280 P431 K601	R280-D433 IonicContact NH2-OD2 3.43Å; P431-D433 WeakPolarHBondContact CB-OD1 3.32Å; P431-D433 PolarHBondContact O-N 2.86Å; D433-K601 VanDerWaalsContact O-CE 3.3Å; D433-K601 WeakPolarHBondContact O-CE 3.39Å; D433-K601 PolarHBondContact O-NZ 2.75Å
434	C	81.9	Confident	89.6	Confident	78 Å²	78	53.3 Å²	53.3	53%	0.527	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-98.8	-1.8	171	-65.2	0	0	0	0	113.5	V430 P431 L432 I436	V430-C434 HydrophobicContact CG1-CB 3.83Å; P431-C434 WeakPolarHBondContact O-CB 3.49Å; P431-C434 PolarHBondContact O-N 3.16Å; L432-C434 PolarHBondContact O-N 3.47Å; C434-I436 PolarHBondContact O-N 3.49Å; C434-I436 VanDerWaalsContact O-N 3.12Å
435	C	85.5	Confident	89.5	Confident	2 Å²	2	56 Å²	56	1%	0.014	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-81.9	20.1	-176.3	-67.9	0	0	0	0	114.1	P431 L432 D437 L438 I446 L602	P431-C435 PolarHBondContact O-SG 3.23Å; L432-C435 WeakPolarHBondContact O-CB 3.35Å; L432-C435 PolarHBondContact O-N 2.84Å; L432-C435 VanDerWaalsContact O-N 3.08Å; C435-D437 VanDerWaalsContact C-N 3.31Å; C435-D437 PolarHBondContact O-N 3.36Å; C435-L438 HydrophobicContact CB-CD1 3.61Å; C435-L438 HydrophobicContact CB-CG 4.1Å; C435-L438 PolarHBondContact O-N 3.27Å; C435-I446 HydrophobicContact CB-CD1 4.4Å; C435-L602 HydrophobicContact CB-CD2 4.22Å
436	I	86.2	Confident	89.4	Confident	63 Å²	63	53.9 Å²	53.9	32%	0.323	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-68.4	-32.6	-175.6	-52.2	171.5	0	0	0	111.3	C434 L438 R443 K601 L602	C434-I436 PolarHBondContact O-N 3.49Å; C434-I436 VanDerWaalsContact O-N 3.12Å; I436-L438 VanDerWaalsContact C-N 3.33Å; I436-R443 WeakPolarHBondContact O-CD 3.48Å; I436-R443 PolarHBondContact O-NH1 3.03Å; I436-K601 HydrophobicContact CD1-CG 4.37Å; I436-L602 HydrophobicContact CG1-CD2 4.17Å
437	D	86.3	Confident	89.5	Confident	160 Å²	160	52.3 Å²	52.3	86%	0.856	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-88.6	1.9	-176.3	-60	-41.4	0	0	0	113.6	C435	C435-D437 VanDerWaalsContact C-N 3.31Å; C435-D437 PolarHBondContact O-N 3.36Å
438	L	90.6	Very high	89.7	Confident	58 Å²	58	54.1 Å²	54.1	30%	0.304	28%	0.282	S	S	.	.	S	Bend	trans	-67.7	159.7	171.7	-61.3	-176.9	0	0	0	110.7	C435 I436 T442 R443 I446 Y475	C435-L438 HydrophobicContact CB-CD1 3.61Å; C435-L438 HydrophobicContact CB-CG 4.1Å; C435-L438 PolarHBondContact O-N 3.27Å; I436-L438 VanDerWaalsContact C-N 3.33Å; L438-T442 HydrophobicContact CB-CG2 4.38Å; L438-T442 HydrophobicContact CD1-CG2 3.75Å; L438-R443 HydrophobicContact CB-CG 4.02Å; L438-I446 HydrophobicContact CD1-CD1 3.96Å; L438-Y475 HydrophobicContact CD1-CD1 3.8Å; L438-Y475 HydrophobicContact CD1-CE1 3.8Å
439	D	93.2	Very high	90.2	Very high	83 Å²	83	51.4 Å²	51.4	44%	0.444	27%	0.271	S	S	.	.			trans	-61.9	155.4	175	68.3	88.8	0	0	0	111.5	E441 T442 R443	D439-E441 VanDerWaalsContact C-N 3.25Å; D439-E441 PolarHBondContact O-N 2.79Å; D439-E441 WeakPolarHBondContact OD1-CB 3.46Å; D439-E441 PolarHBondContact OD1-N 2.9Å; D439-E441 VanDerWaalsContact OD1-N 3.14Å; D439-T442 VanDerWaalsContact CG-OG1 3.27Å; D439-T442 PolarHBondContact O-N 3.35Å; D439-T442 PolarHBondContact OD1-N 3.31Å; D439-T442 PolarHBondContact OD1-OG1 2.92Å; D439-T442 WeakPolarHBondContact OD2-CB 3.34Å; D439-T442 PolarHBondContact OD2-OG1 2.87Å; D439-R443 WeakPolarHBondContact O-CG 3.34Å; D439-R443 PolarHBondContact O-N 2.87Å
440	Q	93.9	Very high	90.5	Very high	80 Å²	80	50.8 Å²	50.8	37%	0.374	26%	0.263	S	S	.	.	H	α-helix	trans	-60.5	-35.2	-173.8	-173.3	65.7	54.2	0	0	112.8	R443 N444 K603	Q440-R443 PolarHBondContact O-N 3.11Å; Q440-N444 PolarHBondContact NE2-OD1 3.29Å; Q440-N444 WeakPolarHBondContact O-CB 3.41Å; Q440-N444 PolarHBondContact O-N 3.43Å; Q440-N444 PolarHBondContact O-OD1 3.12Å; Q440-K603 PolarHBondContact NE2-O 3.2Å
441	E	94.6	Very high	90.8	Very high	159 Å²	159	47.7 Å²	47.7	74%	0.743	24%	0.244	S	C	*	.	H	α-helix	trans	-67.5	-47.2	-178.4	-173.8	177.5	179.7	0	0	110.4	D439 R443 N444 Q445	D439-E441 VanDerWaalsContact C-N 3.25Å; D439-E441 PolarHBondContact O-N 2.79Å; D439-E441 WeakPolarHBondContact OD1-CB 3.46Å; D439-E441 PolarHBondContact OD1-N 2.9Å; D439-E441 VanDerWaalsContact OD1-N 3.14Å; E441-R443 PolarHBondContact O-N 3.09Å; E441-N444 PolarHBondContact O-N 3.46Å; E441-Q445 WeakPolarHBondContact O-CB 3.41Å; E441-Q445 PolarHBondContact O-N 2.92Å
442	T	93.6	Very high	91.2	Very high	21 Å²	21	49.1 Å²	49.1	13%	0.129	25%	0.249	C	C	.	.	H	α-helix	trans	-60.5	-43.7	174.5	-59.4	0	0	0	0	111.6	L438 D439 N444 Q445 I446 Y475	L438-T442 HydrophobicContact CB-CG2 4.38Å; L438-T442 HydrophobicContact CD1-CG2 3.75Å; D439-T442 VanDerWaalsContact CG-OG1 3.27Å; D439-T442 PolarHBondContact O-N 3.35Å; D439-T442 PolarHBondContact OD1-N 3.31Å; D439-T442 PolarHBondContact OD1-OG1 2.92Å; D439-T442 WeakPolarHBondContact OD2-CB 3.34Å; D439-T442 PolarHBondContact OD2-OG1 2.87Å; T442-N444 PolarHBondContact O-N 3.13Å; T442-Q445 PolarHBondContact O-N 3.48Å; T442-I446 HydrophobicContact CG2-CD1 3.99Å; T442-I446 HydrophobicContact CG2-CG1 4.5Å; T442-I446 WeakPolarHBondContact O-CG1 3.12Å; T442-I446 PolarHBondContact O-N 3.19Å; T442-Y475 HydrophobicContact CG2-CE1 3.84Å; T442-Y475 WeakPolarHBondContact CG2-OH 3.3Å
443	R	94.6	Very high	91.6	Very high	32 Å²	32	49.2 Å²	49.2	12%	0.121	25%	0.249	C	C	.	.	H	α-helix	trans	-61.9	-43.1	176.6	-67.9	-169.6	-53.6	-174.2	4.7	112	I436 L438 D439 Q440 E441 I446 C447 L602	I436-R443 WeakPolarHBondContact O-CD 3.48Å; I436-R443 PolarHBondContact O-NH1 3.03Å; L438-R443 HydrophobicContact CB-CG 4.02Å; D439-R443 WeakPolarHBondContact O-CG 3.34Å; D439-R443 PolarHBondContact O-N 2.87Å; Q440-R443 PolarHBondContact O-N 3.11Å; E441-R443 PolarHBondContact O-N 3.09Å; R443-I446 PolarHBondContact O-N 3.27Å; R443-C447 WeakPolarHBondContact O-CB 3.27Å; R443-C447 PolarHBondContact O-N 2.82Å; R443-C447 PolarHBondContact O-SG 3.08Å; R443-C447 VanDerWaalsContact O-SG 3.33Å; R443-L602 HydrophobicContact CB-CB 4.39Å; R443-L602 WeakPolarHBondContact CD-O 3.18Å; R443-L602 PolarHBondContact NE-O 3.26Å
444	N	95.4	Very high	92.3	Very high	34 Å²	34	47.7 Å²	47.7	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-43.4	175.4	-73.1	-6	0	0	0	111.3	Q440 E441 T442 C447 Y448 A604 N605 I606	Q440-N444 PolarHBondContact NE2-OD1 3.29Å; Q440-N444 WeakPolarHBondContact O-CB 3.41Å; Q440-N444 PolarHBondContact O-N 3.43Å; Q440-N444 PolarHBondContact O-OD1 3.12Å; E441-N444 PolarHBondContact O-N 3.46Å; T442-N444 PolarHBondContact O-N 3.13Å; N444-C447 PolarHBondContact O-N 3.4Å; N444-Y448 VanDerWaalsContact O-CB 3.27Å; N444-Y448 WeakPolarHBondContact O-CB 3.29Å; N444-Y448 PolarHBondContact O-N 2.96Å; N444-A604 WeakPolarHBondContact OD1-CA 3.4Å; N444-N605 PolarHBondContact ND2-O 3.47Å; N444-N605 VanDerWaalsContact ND2-O 3.08Å; N444-N605 PolarHBondContact OD1-N 3.23Å; N444-I606 HydrophobicContact CB-CG2 3.83Å; N444-I606 WeakPolarHBondContact O-CG2 3.46Å
445	Q	95.3	Very high	92.8	Very high	71 Å²	71	44.1 Å²	44.1	33%	0.332	22%	0.217	S	C	.	.	H	α-helix	trans	-61.8	-46	177.8	-172.5	-179.8	19.6	0	0	111.7	Y406 E441 T442 N449 N480	Y406-Q445 HydrophobicContact CE2-CG 4.02Å; E441-Q445 WeakPolarHBondContact O-CB 3.41Å; E441-Q445 PolarHBondContact O-N 2.92Å; T442-Q445 PolarHBondContact O-N 3.48Å; Q445-N449 WeakPolarHBondContact O-CB 3.14Å; Q445-N449 PolarHBondContact O-N 2.92Å; Q445-N449 PolarHBondContact O-ND2 3.4Å; Q445-N480 PolarHBondContact OE1-ND2 3.31Å
446	I	94.5	Very high	93.2	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-57.4	-52.7	176	-69.7	165.4	0	0	0	109.9	Y406 L432 C435 L438 T442 R443 Y448 N449 I450 Y475 L602	Y406-I446 VanDerWaalsContact OH-CA 3.31Å; Y406-I446 WeakPolarHBondContact OH-CA 3.47Å; Y406-I446 WeakPolarHBondContact OH-CG1 3.4Å; L432-I446 HydrophobicContact CD1-CG2 4.06Å; L432-I446 HydrophobicContact CD2-CD1 4.33Å; L432-I446 HydrophobicContact CD2-CG2 3.74Å; L432-I446 HydrophobicContact CG-CG2 4.5Å; C435-I446 HydrophobicContact CB-CD1 4.4Å; L438-I446 HydrophobicContact CD1-CD1 3.96Å; T442-I446 HydrophobicContact CG2-CD1 3.99Å; T442-I446 HydrophobicContact CG2-CG1 4.5Å; T442-I446 WeakPolarHBondContact O-CG1 3.12Å; T442-I446 PolarHBondContact O-N 3.19Å; R443-I446 PolarHBondContact O-N 3.27Å; I446-Y448 PolarHBondContact O-N 2.88Å; I446-N449 PolarHBondContact O-N 3.46Å; I446-I450 HydrophobicContact CG2-CG1 4.31Å; I446-I450 WeakPolarHBondContact O-CB 3.39Å; I446-I450 VanDerWaalsContact O-CG1 3.25Å; I446-I450 WeakPolarHBondContact O-CG1 3.41Å; I446-I450 PolarHBondContact O-N 2.98Å; I446-Y475 HydrophobicContact CD1-CD1 4.22Å; I446-Y475 HydrophobicContact CD1-CD2 4.15Å; I446-Y475 HydrophobicContact CD1-CE2 4.46Å; I446-Y475 HydrophobicContact CD1-CG 4.02Å; I446-Y475 HydrophobicContact CG1-CD2 4.22Å; I446-Y475 HydrophobicContact CG1-CE2 4.44Å; I446-L602 HydrophobicContact CG2-CD1 4.15Å
447	C	94.1	Very high	93.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-42.3	-176.3	-72.2	0	0	0	0	113.1	R443 N444 I450 L451 C599 A604 I606	R443-C447 WeakPolarHBondContact O-CB 3.27Å; R443-C447 PolarHBondContact O-N 2.82Å; R443-C447 PolarHBondContact O-SG 3.08Å; R443-C447 VanDerWaalsContact O-SG 3.33Å; N444-C447 PolarHBondContact O-N 3.4Å; C447-I450 PolarHBondContact O-N 3.1Å; C447-L451 WeakPolarHBondContact O-CB 3.39Å; C447-L451 PolarHBondContact O-N 2.93Å; C447-C599 HydrophobicContact CB-CB 4.38Å; C447-A604 HydrophobicContact CB-CB 3.48Å; C447-A604 VanDerWaalsContact CB-CB 3.48Å; C447-A604 VanDerWaalsContact SG-CB 3.58Å; C447-I606 HydrophobicContact CB-CD1 4.28Å
448	Y	95.4	Very high	93.9	Very high	71 Å²	71	35 Å²	35	28%	0.278	17%	0.166	S	C	.	.	H	α-helix	trans	-57.6	-51	175.2	-178.5	-88.2	0	0	0	110.8	N444 I446 I450 L451 H452 I606 P607 M611	N444-Y448 VanDerWaalsContact O-CB 3.27Å; N444-Y448 WeakPolarHBondContact O-CB 3.29Å; N444-Y448 PolarHBondContact O-N 2.96Å; I446-Y448 PolarHBondContact O-N 2.88Å; Y448-I450 PolarHBondContact O-N 3.48Å; Y448-L451 PolarHBondContact O-N 3.21Å; Y448-H452 VanDerWaalsContact O-CB 3.28Å; Y448-H452 WeakPolarHBondContact O-CB 3.38Å; Y448-H452 PolarHBondContact O-N 3.07Å; Y448-I606 HydrophobicContact CD2-CB 4.47Å; Y448-P607 HydrophobicContact CE2-CG 4.33Å; Y448-P607 WeakPolarHBondContact CE2-O 3.33Å; Y448-M611 HydrophobicContact CD2-SD 4.23Å; Y448-M611 HydrophobicContact CE1-SD 4.48Å; Y448-M611 HydrophobicContact CE2-CB 3.99Å; Y448-M611 HydrophobicContact CE2-CG 4.29Å; Y448-M611 HydrophobicContact CE2-SD 3.95Å
449	N	95.3	Very high	94	Very high	28 Å²	28	32.4 Å²	32.4	15%	0.15	15%	0.152	C	C	.	.	H	α-helix	trans	-67	-36	-179	-75.2	-65.8	0	0	0	112.7	Y406 F407 Q445 I446 H452 L453	Y406-N449 HydrophobicContact CD1-CB 3.32Å; Y406-N449 VanDerWaalsContact CD1-CG 3.47Å; Y406-N449 HydrophobicContact CE1-CB 3.4Å; Y406-N449 VanDerWaalsContact CE1-CB 3.4Å; Y406-N449 HydrophobicContact CG-CB 4.1Å; F407-N449 HydrophobicContact CE2-CB 3.99Å; F407-N449 WeakPolarHBondContact CE2-O 3.21Å; F407-N449 HydrophobicContact CZ-CB 3.86Å; F407-N449 VanDerWaalsContact CZ-O 3.29Å; F407-N449 WeakPolarHBondContact CZ-O 3.3Å; Q445-N449 WeakPolarHBondContact O-CB 3.14Å; Q445-N449 PolarHBondContact O-N 2.92Å; Q445-N449 PolarHBondContact O-ND2 3.4Å; I446-N449 PolarHBondContact O-N 3.46Å; N449-H452 PolarHBondContact O-N 2.88Å; N449-L453 VanDerWaalsContact O-CB 3.3Å; N449-L453 WeakPolarHBondContact O-CB 3.24Å; N449-L453 PolarHBondContact O-N 3.3Å
450	I	93.5	Very high	94	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-64.7	-44.3	175.9	-72.2	-69.4	0	0	0	111.2	F407 L432 I446 C447 Y448 L453 C454 W470 F473 I598	F407-I450 HydrophobicContact CE1-CD1 4Å; F407-I450 HydrophobicContact CZ-CD1 4.29Å; L432-I450 HydrophobicContact CD1-CD1 3.85Å; L432-I450 HydrophobicContact CD1-CG1 4.07Å; I446-I450 HydrophobicContact CG2-CG1 4.31Å; I446-I450 WeakPolarHBondContact O-CB 3.39Å; I446-I450 VanDerWaalsContact O-CG1 3.25Å; I446-I450 WeakPolarHBondContact O-CG1 3.41Å; I446-I450 PolarHBondContact O-N 2.98Å; C447-I450 PolarHBondContact O-N 3.1Å; Y448-I450 PolarHBondContact O-N 3.48Å; I450-L453 PolarHBondContact O-N 2.96Å; I450-C454 WeakPolarHBondContact O-CB 3.48Å; I450-C454 PolarHBondContact O-N 3.37Å; I450-W470 HydrophobicContact CD1-CZ3 4.1Å; I450-W470 HydrophobicContact CG2-CH2 3.68Å; I450-W470 HydrophobicContact CG2-CZ3 3.73Å; I450-F473 HydrophobicContact CD1-CD1 3.86Å; I450-F473 HydrophobicContact CD1-CE1 4.12Å; I450-I598 HydrophobicContact CG2-CG2 4.29Å
451	L	92.6	Very high	94	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-69	-38.8	178.3	-167.2	57.1	0	0	0	111.1	C447 Y448 C454 L455 F549 F557 F596 I606 M611	C447-L451 WeakPolarHBondContact O-CB 3.39Å; C447-L451 PolarHBondContact O-N 2.93Å; Y448-L451 PolarHBondContact O-N 3.21Å; L451-C454 WeakPolarHBondContact O-CB 3.17Å; L451-C454 PolarHBondContact O-N 3.12Å; L451-L455 WeakPolarHBondContact O-CG 3.37Å; L451-L455 PolarHBondContact O-N 2.86Å; L451-L455 VanDerWaalsContact O-N 3.1Å; L451-F549 HydrophobicContact CD2-CE1 4.34Å; L451-F557 HydrophobicContact CD2-CZ 4.21Å; L451-F596 HydrophobicContact CD1-CD2 4.22Å; L451-F596 HydrophobicContact CD1-CE2 3.88Å; L451-I606 HydrophobicContact CD2-CD1 4.31Å; L451-M611 HydrophobicContact CB-CE 4Å; L451-M611 HydrophobicContact CB-SD 4.49Å; L451-M611 HydrophobicContact CD2-CE 3.68Å; L451-M611 HydrophobicContact CG-CE 3.63Å
452	H	94.6	Very high	93.9	Very high	55 Å²	55	25.5 Å²	25.5	26%	0.255	11%	0.114	S	C	.	.	H	α-helix	trans	-60.7	-46.3	172.5	-175.5	-127.3	0	0	0	112	Y448 N449 C454 L455 R456 M611	Y448-H452 VanDerWaalsContact O-CB 3.28Å; Y448-H452 WeakPolarHBondContact O-CB 3.38Å; Y448-H452 PolarHBondContact O-N 3.07Å; N449-H452 PolarHBondContact O-N 2.88Å; H452-C454 VanDerWaalsContact C-N 3.3Å; H452-C454 PolarHBondContact O-N 3Å; H452-L455 PolarHBondContact O-N 3.43Å; H452-L455 VanDerWaalsContact O-N 3.17Å; H452-R456 VanDerWaalsContact CE1-CD 3.48Å; H452-R456 WeakPolarHBondContact CE1-CD 3.42Å; H452-R456 WeakPolarHBondContact O-CG 3.44Å; H452-R456 PolarHBondContact O-N 3.26Å; H452-M611 HydrophobicContact CB-CG 4.26Å; H452-M611 HydrophobicContact CB-SD 3.61Å
453	L	94.3	Very high	93.9	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-57.4	-44.9	174.6	176.9	63.3	0	0	0	110.8	L401 F407 N449 I450 L455 R456 E457 F461 L484	L401-L453 HydrophobicContact CD2-CD1 3.99Å; F407-L453 HydrophobicContact CD1-CD2 4.01Å; F407-L453 HydrophobicContact CD2-CD1 4.44Å; F407-L453 HydrophobicContact CD2-CD2 4.4Å; F407-L453 HydrophobicContact CE1-CD2 3.69Å; F407-L453 HydrophobicContact CE2-CB 3.71Å; F407-L453 HydrophobicContact CE2-CD1 4.44Å; F407-L453 HydrophobicContact CE2-CD2 4.11Å; F407-L453 HydrophobicContact CE2-CG 4.3Å; F407-L453 HydrophobicContact CG-CD2 4.35Å; F407-L453 HydrophobicContact CZ-CB 3.72Å; F407-L453 HydrophobicContact CZ-CD2 3.73Å; F407-L453 HydrophobicContact CZ-CG 4.28Å; N449-L453 VanDerWaalsContact O-CB 3.3Å; N449-L453 WeakPolarHBondContact O-CB 3.24Å; N449-L453 PolarHBondContact O-N 3.3Å; I450-L453 PolarHBondContact O-N 2.96Å; L453-L455 VanDerWaalsContact C-N 3.28Å; L453-L455 PolarHBondContact O-N 3.15Å; L453-R456 PolarHBondContact O-N 3.05Å; L453-R456 VanDerWaalsContact O-N 3.14Å; L453-E457 HydrophobicContact CD1-CG 4.16Å; L453-E457 HydrophobicContact CG-CG 4.23Å; L453-E457 WeakPolarHBondContact O-CB 3.39Å; L453-E457 VanDerWaalsContact O-CG 3.28Å; L453-E457 WeakPolarHBondContact O-CG 3.25Å; L453-E457 PolarHBondContact O-N 2.75Å; L453-F461 HydrophobicContact CD1-CE2 4.23Å; L453-L484 HydrophobicContact CD2-CD1 4.05Å; L453-L484 HydrophobicContact CD2-CD2 4.48Å
454	C	92.8	Very high	93.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59	-38.3	178.4	-167.6	0	0	0	0	112.6	I450 L451 H452 M464 M592	I450-C454 WeakPolarHBondContact O-CB 3.48Å; I450-C454 PolarHBondContact O-N 3.37Å; L451-C454 WeakPolarHBondContact O-CB 3.17Å; L451-C454 PolarHBondContact O-N 3.12Å; H452-C454 VanDerWaalsContact C-N 3.3Å; H452-C454 PolarHBondContact O-N 3Å; C454-M464 WeakPolarHBondContact SG-CE 3.27Å; C454-M592 PolarHBondContact SG-SD 2.97Å
455	L	93	Very high	93.6	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-70	-42.6	174.4	-65.6	175.4	0	0	0	111.9	L451 H452 L453 L458 F459 F549 M611 F612 V615	L451-L455 WeakPolarHBondContact O-CG 3.37Å; L451-L455 PolarHBondContact O-N 2.86Å; L451-L455 VanDerWaalsContact O-N 3.1Å; H452-L455 PolarHBondContact O-N 3.43Å; H452-L455 VanDerWaalsContact O-N 3.17Å; L453-L455 VanDerWaalsContact C-N 3.28Å; L453-L455 PolarHBondContact O-N 3.15Å; L455-L458 PolarHBondContact O-N 3.47Å; L455-F459 HydrophobicContact CB-CD2 4.38Å; L455-F459 HydrophobicContact CD2-CD2 4.27Å; L455-F459 HydrophobicContact CD2-CE2 3.82Å; L455-F459 VanDerWaalsContact O-CD2 3.28Å; L455-F459 WeakPolarHBondContact O-CD2 3.45Å; L455-F459 PolarHBondContact O-N 3.08Å; L455-F549 HydrophobicContact CD1-CE1 4.39Å; L455-F549 HydrophobicContact CD2-CZ 4.43Å; L455-M611 HydrophobicContact CD1-CE 3.93Å; L455-M611 HydrophobicContact CD1-CG 4.18Å; L455-M611 HydrophobicContact CD1-SD 4.42Å; L455-F612 HydrophobicContact CD1-CB 4.39Å; L455-F612 HydrophobicContact CD1-CD2 4.46Å; L455-F612 HydrophobicContact CD2-CD2 4.25Å; L455-V615 HydrophobicContact CB-CG1 4.27Å; L455-V615 HydrophobicContact CB-CG2 4.2Å; L455-V615 HydrophobicContact CD1-CG2 4.42Å
456	R	94.4	Very high	92.9	Very high	33 Å²	33	19.1 Å²	19.1	13%	0.125	8%	0.083	C	C	.	.	H	α-helix	trans	-63	-43	176.1	-68.7	-179.8	66.5	-158.3	1.7	112	D404 H452 L453 L458 E460 F461	D404-R456 IonicContact OD2-NH1 3.98Å; D404-R456 PolarHBondContact OD2-NH1 2.89Å; H452-R456 VanDerWaalsContact CE1-CD 3.48Å; H452-R456 WeakPolarHBondContact CE1-CD 3.42Å; H452-R456 WeakPolarHBondContact O-CG 3.44Å; H452-R456 PolarHBondContact O-N 3.26Å; L453-R456 PolarHBondContact O-N 3.05Å; L453-R456 VanDerWaalsContact O-N 3.14Å; R456-L458 PolarHBondContact O-N 3.29Å; R456-L458 VanDerWaalsContact O-N 3.16Å; R456-E460 HydrophobicContact CB-CB 4.26Å; R456-E460 WeakPolarHBondContact CG-OE2 3.47Å; R456-E460 IonicContact CZ-OE1 3.85Å; R456-E460 IonicContact CZ-OE2 3.76Å; R456-E460 IonicContact NE-OE1 2.82Å; R456-E460 IonicContact NE-OE2 2.78Å; R456-E460 PolarHBondContact NE-OE2 3.29Å; R456-E460 IonicContact NH2-OE1 2.96Å; R456-E460 PolarHBondContact NH2-OE1 3.37Å; R456-E460 VanDerWaalsContact NH2-OE1 3.11Å; R456-E460 IonicContact NH2-OE2 3.23Å; R456-E460 CarbonylContact O-C 3.24Å; R456-E460 WeakPolarHBondContact O-CA 3.35Å; R456-E460 VanDerWaalsContact O-CB 3.25Å; R456-E460 WeakPolarHBondContact O-CB 3.4Å; R456-E460 PolarHBondContact O-N 3.1Å; R456-F461 HydrophobicContact CB-CE2 4.08Å; R456-F461 HydrophobicContact CB-CZ 4.08Å; R456-F461 PolarHBondContact O-N 2.96Å
457	E	94	Very high	92	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-52.5	-38.3	175.9	-77.9	-178.4	127.2	0	0	112.6	F397 L453 F461 R462 F463 M464 Q465 K591	F397-E457 HydrophobicContact CE1-CG 4.11Å; F397-E457 HydrophobicContact CZ-CG 4.34Å; F397-E457 WeakPolarHBondContact CZ-OE1 3.48Å; L453-E457 HydrophobicContact CD1-CG 4.16Å; L453-E457 HydrophobicContact CG-CG 4.23Å; L453-E457 WeakPolarHBondContact O-CB 3.39Å; L453-E457 VanDerWaalsContact O-CG 3.28Å; L453-E457 WeakPolarHBondContact O-CG 3.25Å; L453-E457 PolarHBondContact O-N 2.75Å; E457-F461 HydrophobicContact CG-CD2 4.2Å; E457-R462 CarbonylContact O-C 3.45Å; E457-R462 WeakPolarHBondContact O-CA 3.36Å; E457-R462 PolarHBondContact O-N 3.21Å; E457-R462 VanDerWaalsContact O-N 3.07Å; E457-F463 CarbonylContact O-C 3.53Å; E457-F463 PolarHBondContact O-N 2.95Å; E457-M464 HydrophobicContact CB-CB 3.96Å; E457-M464 HydrophobicContact CB-CG 3.8Å; E457-M464 HydrophobicContact CG-CG 4.4Å; E457-Q465 WeakPolarHBondContact OE1-CB 3.47Å; E457-Q465 PolarHBondContact OE1-N 3.31Å; E457-K591 IonicContact OE1-NZ 3.45Å; E457-K591 WeakPolarHBondContact OE2-CE 3.4Å; E457-K591 IonicContact OE2-NZ 3.18Å; E457-K591 PolarHBondContact OE2-NZ 3.12Å
458	L	91.3	Very high	90.5	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.01	9%	0.087	C	C	.	.	H	α-helix	trans	-86	-51.8	-179.6	-69.3	167.9	0	0	0	113.3	L455 R456 R462 M464 Y493 Y501 L588 M592	L455-L458 PolarHBondContact O-N 3.47Å; R456-L458 PolarHBondContact O-N 3.29Å; R456-L458 VanDerWaalsContact O-N 3.16Å; L458-R462 WeakPolarHBondContact O-CG 3.19Å; L458-M464 HydrophobicContact CD1-CE 3.76Å; L458-M464 HydrophobicContact CD1-SD 4.46Å; L458-M464 HydrophobicContact CD2-CB 4.47Å; L458-M464 HydrophobicContact CD2-CE 4.15Å; L458-M464 HydrophobicContact CD2-SD 3.77Å; L458-M464 HydrophobicContact CG-CE 3.79Å; L458-M464 HydrophobicContact CG-SD 4.08Å; L458-Y493 HydrophobicContact CD2-CD2 4.12Å; L458-Y493 HydrophobicContact CD2-CE2 4.2Å; L458-Y493 HydrophobicContact CD2-CG 4.35Å; L458-Y501 HydrophobicContact CD1-CE1 4.38Å; L458-L588 HydrophobicContact CD1-CD1 3.43Å; L458-L588 VanDerWaalsContact CD1-CD1 3.43Å; L458-L588 HydrophobicContact CD2-CD1 3.19Å; L458-L588 HydrophobicContact CG-CD1 3.9Å; L458-M592 HydrophobicContact CD1-SD 4.32Å
459	F	93.1	Very high	89.6	Confident	3 Å²	3	17.5 Å²	17.5	1%	0.013	8%	0.079	C	C	.	.	H	α-helix	trans	-98.1	-18.5	-166.2	-55	-54.8	0	0	0	112.9	L455 Y501 I502 V615 Y619 R622	L455-F459 HydrophobicContact CB-CD2 4.38Å; L455-F459 HydrophobicContact CD2-CD2 4.27Å; L455-F459 HydrophobicContact CD2-CE2 3.82Å; L455-F459 VanDerWaalsContact O-CD2 3.28Å; L455-F459 WeakPolarHBondContact O-CD2 3.45Å; L455-F459 PolarHBondContact O-N 3.08Å; F459-Y501 HydrophobicContact CE1-CD1 4.04Å; F459-Y501 AromaticContact CZ-CD1 3.86Å; F459-Y501 HydrophobicContact CZ-CD1 3.86Å; F459-Y501 HydrophobicContact CZ-CE1 4.37Å; F459-I502 HydrophobicContact CB-CD1 4.2Å; F459-I502 HydrophobicContact CD1-CB 3.73Å; F459-I502 HydrophobicContact CD1-CD1 3.71Å; F459-I502 HydrophobicContact CD1-CG1 3.72Å; F459-I502 HydrophobicContact CD2-CD1 4.19Å; F459-I502 HydrophobicContact CD2-CG1 4.28Å; F459-I502 HydrophobicContact CE1-CB 3.38Å; F459-I502 HydrophobicContact CE1-CD1 4.11Å; F459-I502 HydrophobicContact CE1-CG1 3.57Å; F459-I502 HydrophobicContact CE2-CG1 4.13Å; F459-I502 HydrophobicContact CG-CD1 3.76Å; F459-I502 HydrophobicContact CG-CG1 4.09Å; F459-I502 HydrophobicContact CZ-CB 3.96Å; F459-I502 HydrophobicContact CZ-CD1 4.49Å; F459-I502 HydrophobicContact CZ-CG1 3.77Å; F459-V615 HydrophobicContact CB-CG1 3.85Å; F459-V615 HydrophobicContact CD2-CG1 3.89Å; F459-V615 HydrophobicContact CG-CG1 4.3Å; F459-Y619 HydrophobicContact CB-CD2 3.81Å; F459-Y619 HydrophobicContact CB-CE2 4.28Å; F459-Y619 HydrophobicContact CD1-CE2 4.47Å; F459-Y619 WeakPolarHBondContact O-CD2 3.45Å; F459-Y619 WeakPolarHBondContact O-CE2 3.38Å; F459-R622 PolarHBondContact O-NH2 3.02Å
460	E	92.8	Very high	88.8	Confident	77 Å²	77	17 Å²	17	36%	0.36	8%	0.076	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-56.9	175.4	-174.1	-177.7	154.2	0	0	111.1	R456	R456-E460 HydrophobicContact CB-CB 4.26Å; R456-E460 WeakPolarHBondContact CG-OE2 3.47Å; R456-E460 IonicContact CZ-OE1 3.85Å; R456-E460 IonicContact CZ-OE2 3.76Å; R456-E460 IonicContact NE-OE1 2.82Å; R456-E460 IonicContact NE-OE2 2.78Å; R456-E460 PolarHBondContact NE-OE2 3.29Å; R456-E460 IonicContact NH2-OE1 2.96Å; R456-E460 PolarHBondContact NH2-OE1 3.37Å; R456-E460 VanDerWaalsContact NH2-OE1 3.11Å; R456-E460 IonicContact NH2-OE2 3.23Å; R456-E460 CarbonylContact O-C 3.24Å; R456-E460 WeakPolarHBondContact O-CA 3.35Å; R456-E460 VanDerWaalsContact O-CB 3.25Å; R456-E460 WeakPolarHBondContact O-CB 3.4Å; R456-E460 PolarHBondContact O-N 3.1Å
461	F	94.3	Very high	88	Confident	23 Å²	23	17.6 Å²	17.6	10%	0.101	8%	0.081	C	C	.	.	S	Bend	trans	-82.8	-27.4	-173.5	-51.4	-26.7	0	0	0	112.9	L400 L401 L453 R456 E457 F463	L400-F461 HydrophobicContact CB-CD1 4.34Å; L400-F461 HydrophobicContact CB-CD2 4.5Å; L400-F461 HydrophobicContact CB-CE1 4.3Å; L400-F461 HydrophobicContact CB-CE2 4.48Å; L400-F461 HydrophobicContact CB-CG 4.46Å; L400-F461 HydrophobicContact CB-CZ 4.37Å; L400-F461 HydrophobicContact CD1-CB 3.97Å; L400-F461 HydrophobicContact CD1-CD1 4.49Å; L400-F461 HydrophobicContact CD1-CD2 4.27Å; L400-F461 HydrophobicContact CD1-CG 4.01Å; L400-F461 HydrophobicContact CD2-CB 4.43Å; L400-F461 HydrophobicContact CD2-CD1 3.92Å; L400-F461 HydrophobicContact CD2-CE1 4.48Å; L400-F461 HydrophobicContact CD2-CG 4.24Å; L400-F461 HydrophobicContact CG-CD1 4.48Å; L400-F461 HydrophobicContact CG-CG 4.48Å; L401-F461 HydrophobicContact CD2-CE2 4.16Å; L401-F461 HydrophobicContact CD2-CZ 4.08Å; L453-F461 HydrophobicContact CD1-CE2 4.23Å; R456-F461 HydrophobicContact CB-CE2 4.08Å; R456-F461 HydrophobicContact CB-CZ 4.08Å; R456-F461 PolarHBondContact O-N 2.96Å; E457-F461 HydrophobicContact CG-CD2 4.2Å; F461-F463 HydrophobicContact CB-CB 4.27Å; F461-F463 PolarHBondContact O-N 3.31Å; F461-F463 VanDerWaalsContact O-N 3.12Å
462	R	93.5	Very high	87.6	Confident	77 Å²	77	19.1 Å²	19.1	29%	0.291	9%	0.089	S	C	.	.	S	Bend	trans	50	31.4	-167	-61.1	-177.7	-86	-156	-4.1	111.7	E457 L458 G492 Y493 E495 T498	E457-R462 CarbonylContact O-C 3.45Å; E457-R462 WeakPolarHBondContact O-CA 3.36Å; E457-R462 PolarHBondContact O-N 3.21Å; E457-R462 VanDerWaalsContact O-N 3.07Å; L458-R462 WeakPolarHBondContact O-CG 3.19Å; R462-G492 WeakPolarHBondContact O-CA 3.28Å; R462-Y493 PolarHBondContact O-N 3.42Å; R462-E495 IonicContact CZ-OE1 3.64Å; R462-E495 IonicContact NH1-OE1 3.24Å; R462-E495 PolarHBondContact NH1-OE1 2.8Å; R462-T498 HydrophobicContact CG-CG2 4.15Å
463	F	94.3	Very high	87.4	Confident	18 Å²	18	16.6 Å²	16.6	8%	0.079	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	112.6	-176.5	-168.8	-112.5	0	0	0	107.8	K396 F397 L400 E457 F461 C490 R491	K396-F463 HydrophobicContact CB-CE1 4.42Å; K396-F463 HydrophobicContact CD-CD1 3.89Å; K396-F463 HydrophobicContact CD-CE1 3.81Å; K396-F463 HydrophobicContact CD-CE2 4.46Å; K396-F463 HydrophobicContact CD-CG 4.24Å; K396-F463 HydrophobicContact CD-CZ 4.12Å; K396-F463 HydrophobicContact CG-CD1 4.36Å; K396-F463 HydrophobicContact CG-CE1 4.3Å; F397-F463 AromaticContact CD2-CD1 3.75Å; F397-F463 HydrophobicContact CD2-CD1 3.75Å; F397-F463 AromaticContact CD2-CE1 3.47Å; F397-F463 HydrophobicContact CD2-CE1 3.47Å; F397-F463 VanDerWaalsContact CD2-CE1 3.47Å; F397-F463 AromaticContact CE2-CD1 3.3Å; F397-F463 HydrophobicContact CE2-CD1 3.3Å; F397-F463 AromaticContact CE2-CE1 3.29Å; F397-F463 HydrophobicContact CE2-CE1 3.29Å; F397-F463 HydrophobicContact CE2-CG 4.4Å; F397-F463 HydrophobicContact CE2-CZ 4.37Å; F397-F463 AromaticContact CZ-CD1 3.86Å; F397-F463 HydrophobicContact CZ-CD1 3.86Å; F397-F463 HydrophobicContact CZ-CE1 4.28Å; F397-F463 WeakPolarHBondContact CZ-O 3.11Å; L400-F463 HydrophobicContact CD1-CD1 4.28Å; E457-F463 CarbonylContact O-C 3.53Å; E457-F463 PolarHBondContact O-N 2.95Å; F461-F463 HydrophobicContact CB-CB 4.27Å; F461-F463 PolarHBondContact O-N 3.31Å; F461-F463 VanDerWaalsContact O-N 3.12Å; F463-C490 HydrophobicContact CE1-CB 3.94Å; F463-C490 HydrophobicContact CE2-CB 4.13Å; F463-C490 HydrophobicContact CZ-CB 3.53Å; F463-R491 WeakPolarHBondContact CA-O 3.42Å
464	M	91.6	Very high	87.2	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.1	-167.7	-171	-170.5	-141.4	0	0	111.2	C454 E457 L458 T466 C490 R491 Y493 L588 K591	C454-M464 WeakPolarHBondContact SG-CE 3.27Å; E457-M464 HydrophobicContact CB-CB 3.96Å; E457-M464 HydrophobicContact CB-CG 3.8Å; E457-M464 HydrophobicContact CG-CG 4.4Å; L458-M464 HydrophobicContact CD1-CE 3.76Å; L458-M464 HydrophobicContact CD1-SD 4.46Å; L458-M464 HydrophobicContact CD2-CB 4.47Å; L458-M464 HydrophobicContact CD2-CE 4.15Å; L458-M464 HydrophobicContact CD2-SD 3.77Å; L458-M464 HydrophobicContact CG-CE 3.79Å; L458-M464 HydrophobicContact CG-SD 4.08Å; M464-T466 HydrophobicContact CB-CG2 4.42Å; M464-T466 HydrophobicContact CG-CG2 4.39Å; M464-T466 PolarHBondContact O-N 2.9Å; M464-T466 HydrophobicContact SD-CG2 4.27Å; M464-C490 CarbonylContact O-C 3.48Å; M464-C490 VanDerWaalsContact O-CA 3.27Å; M464-C490 WeakPolarHBondContact O-CA 3.35Å; M464-R491 PolarHBondContact N-O 2.86Å; M464-R491 PolarHBondContact O-N 2.98Å; M464-Y493 HydrophobicContact CB-CD2 4.27Å; M464-Y493 HydrophobicContact CB-CE2 3.79Å; M464-Y493 HydrophobicContact SD-CE2 4.38Å; M464-L588 HydrophobicContact CE-CD1 4.34Å; M464-L588 HydrophobicContact SD-CD1 4.01Å; M464-K591 HydrophobicContact CE-CB 3.85Å; M464-K591 HydrophobicContact CE-CD 4.43Å; M464-K591 HydrophobicContact CE-CG 3.18Å; M464-K591 HydrophobicContact CG-CG 4.24Å; M464-K591 HydrophobicContact SD-CB 4Å; M464-K591 HydrophobicContact SD-CG 3.76Å
465	Q	90.1	Very high	87.3	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	108.3	165	-174.4	-164.9	-0.9	0	0	108.9	F397 E457 F473 D486 K591	F397-Q465 HydrophobicContact CE2-CB 4.38Å; F397-Q465 HydrophobicContact CZ-CB 4.16Å; E457-Q465 WeakPolarHBondContact OE1-CB 3.47Å; E457-Q465 PolarHBondContact OE1-N 3.31Å; Q465-F473 VanDerWaalsContact OE1-CZ 3.25Å; Q465-D486 PolarHBondContact NE2-O 3.27Å; Q465-K591 VanDerWaalsContact O-CD 3.3Å; Q465-K591 WeakPolarHBondContact O-CD 3.34Å; Q465-K591 WeakPolarHBondContact O-CE 3.27Å; Q465-K591 PolarHBondContact O-NZ 3.31Å
466	T	81.5	Confident	87.2	Confident	5 Å²	5	18.6 Å²	18.6	3%	0.031	9%	0.087	C	C	.	.			trans	-91.1	-3.3	-172	69.6	0	0	0	0	114.6	M464 P468 A489 R491	M464-T466 HydrophobicContact CB-CG2 4.42Å; M464-T466 HydrophobicContact CG-CG2 4.39Å; M464-T466 PolarHBondContact O-N 2.9Å; M464-T466 HydrophobicContact SD-CG2 4.27Å; T466-P468 VanDerWaalsContact O-CD 3.25Å; T466-P468 WeakPolarHBondContact O-CD 3.27Å; T466-A489 WeakPolarHBondContact CB-O 3.43Å; T466-A489 PolarHBondContact N-O 3.22Å; T466-A489 VanDerWaalsContact N-O 3.08Å; T466-A489 PolarHBondContact OG1-O 3.29Å; T466-R491 HydrophobicContact CG2-CB 4.23Å
467	D	74.8	Confident	87	Confident	7 Å²	7	21.3 Å²	21.3	4%	0.037	11%	0.111	C	C	.	.			trans	-73.1	118.7	176.5	-162.9	-26.8	0	0	0	110.2	K255 N469 A489	K255-D467 IonicContact NZ-OD2 3.37Å; K255-D467 PolarHBondContact NZ-OD2 2.76Å; D467-N469 PolarHBondContact O-N 3Å; D467-N469 WeakPolarHBondContact OD1-CB 3.46Å; D467-N469 PolarHBondContact OD1-N 2.99Å; D467-A489 HydrophobicContact CB-CB 4.03Å
468	P	63.7	Low	86.7	Confident	9 Å²	9	28.2 Å²	28.2	6%	0.058	14%	0.143	C	C	.	.			trans	-79.7	9.6	176.1	36.5	-41.2	0	0	0	113.8	I262 T466 W470 R590	I262-P468 HydrophobicContact CD1-CG 4.18Å; I262-P468 HydrophobicContact CG2-CB 4.14Å; I262-P468 HydrophobicContact CG2-CG 3.63Å; T466-P468 VanDerWaalsContact O-CD 3.25Å; T466-P468 WeakPolarHBondContact O-CD 3.27Å; P468-W470 VanDerWaalsContact O-CD1 3.26Å; P468-W470 PolarHBondContact O-N 3.31Å; P468-W470 PolarHBondContact O-NE1 2.99Å; P468-R590 HydrophobicContact CB-CG 4.48Å; P468-R590 HydrophobicContact CG-CG 3.87Å
469	N	76.1	Confident	86.7	Confident	22 Å²	22	31.7 Å²	31.7	12%	0.118	16%	0.164	C	C	.	.			trans	-76.9	91.1	-179.2	-175.3	14.6	0	0	0	112.8	R280 D467 A471 N472	R280-N469 PolarHBondContact NH2-OD1 3.08Å; D467-N469 PolarHBondContact O-N 3Å; D467-N469 WeakPolarHBondContact OD1-CB 3.46Å; D467-N469 PolarHBondContact OD1-N 2.99Å; N469-A471 PolarHBondContact O-N 2.65Å; N469-A471 VanDerWaalsContact OD1-CB 3.26Å; N469-A471 WeakPolarHBondContact OD1-CB 3.39Å; N469-A471 PolarHBondContact OD1-N 3.37Å; N469-N472 PolarHBondContact ND2-ND2 2.83Å; N469-N472 WeakPolarHBondContact O-CB 3.49Å; N469-N472 PolarHBondContact O-N 2.81Å
470	W	79	Confident	86.6	Confident	18 Å²	18	34.2 Å²	34.2	7%	0.068	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-64.9	-7	177.5	-53.9	112.9	0	0	0	115.3	L432 I450 P468 N472 F473 K591 G594 I598	L432-W470 HydrophobicContact CB-CB 4.43Å; L432-W470 HydrophobicContact CD1-CE3 4.49Å; I450-W470 HydrophobicContact CD1-CZ3 4.1Å; I450-W470 HydrophobicContact CG2-CH2 3.68Å; I450-W470 HydrophobicContact CG2-CZ3 3.73Å; P468-W470 VanDerWaalsContact O-CD1 3.26Å; P468-W470 PolarHBondContact O-N 3.31Å; P468-W470 PolarHBondContact O-NE1 2.99Å; W470-N472 PolarHBondContact O-N 3.07Å; W470-F473 HydrophobicContact CE3-CD1 4.16Å; W470-F473 AromaticContact CE3-CD2 3.65Å; W470-F473 HydrophobicContact CE3-CD2 3.65Å; W470-F473 HydrophobicContact CE3-CE1 4.18Å; W470-F473 AromaticContact CE3-CE2 3.69Å; W470-F473 HydrophobicContact CE3-CE2 3.69Å; W470-F473 AromaticContact CE3-CG 3.92Å; W470-F473 HydrophobicContact CE3-CG 3.92Å; W470-F473 AromaticContact CE3-CZ 3.98Å; W470-F473 HydrophobicContact CE3-CZ 3.98Å; W470-F473 HydrophobicContact CZ3-CD1 4.09Å; W470-F473 HydrophobicContact CZ3-CD2 4.14Å; W470-F473 AromaticContact CZ3-CE1 3.73Å; W470-F473 HydrophobicContact CZ3-CE1 3.73Å; W470-F473 AromaticContact CZ3-CE2 3.79Å; W470-F473 HydrophobicContact CZ3-CE2 3.79Å; W470-F473 HydrophobicContact CZ3-CG 4.3Å; W470-F473 AromaticContact CZ3-CZ 3.59Å; W470-F473 HydrophobicContact CZ3-CZ 3.59Å; W470-F473 PolarHBondContact O-N 3.13Å; W470-K591 HydrophobicContact CH2-CD 4.29Å; W470-G594 VanDerWaalsContact CZ2-C 3.42Å; W470-G594 WeakPolarHBondContact CZ2-O 3.25Å; W470-G594 PolarHBondContact NE1-O 3.14Å; W470-I598 HydrophobicContact CB-CD1 4.11Å; W470-I598 HydrophobicContact CB-CG1 4.39Å; W470-I598 HydrophobicContact CD2-CB 4.06Å; W470-I598 HydrophobicContact CD2-CG1 4.25Å; W470-I598 HydrophobicContact CD2-CG2 3.98Å; W470-I598 HydrophobicContact CG-CB 3.95Å; W470-I598 HydrophobicContact CG-CD1 4.07Å; W470-I598 HydrophobicContact CG-CG1 3.96Å; W470-I598 HydrophobicContact CG-CG2 4.4Å; W470-I598 HydrophobicContact CH2-CG2 4.4Å; W470-I598 HydrophobicContact CZ2-CG2 3.88Å
471	A	75.9	Confident	86.6	Confident	17 Å²	17	33.4 Å²	33.4	14%	0.14	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-72.9	-13.9	169.7	0	0	0	0	0	112.8	N469 F473 F474	N469-A471 PolarHBondContact O-N 2.65Å; N469-A471 VanDerWaalsContact OD1-CB 3.26Å; N469-A471 WeakPolarHBondContact OD1-CB 3.39Å; N469-A471 PolarHBondContact OD1-N 3.37Å; A471-F473 VanDerWaalsContact C-N 3.32Å; A471-F474 WeakPolarHBondContact O-CE2 3.4Å
472	N	84.9	Confident	86.7	Confident	32 Å²	32	32.3 Å²	32.3	17%	0.171	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-91.3	6.5	175.8	-66.9	-27	0	0	0	113.1	N469 W470 L485 D486	N469-N472 PolarHBondContact ND2-ND2 2.83Å; N469-N472 WeakPolarHBondContact O-CB 3.49Å; N469-N472 PolarHBondContact O-N 2.81Å; W470-N472 PolarHBondContact O-N 3.07Å; N472-L485 PolarHBondContact O-N 3.17Å; N472-D486 HydrophobicContact CB-CB 3.71Å; N472-D486 WeakPolarHBondContact ND2-CB 3.47Å; N472-D486 PolarHBondContact ND2-OD2 3.39Å
473	F	89.6	Confident	86.7	Confident	1 Å²	1	28.8 Å²	28.8	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.2	177.8	-66.8	-112.3	0	0	0	107.6	P431 L432 I450 Q465 W470 A471 V482 V483 L484	P431-F473 CarbonylContact C-O 3.58Å; P431-F473 WeakPolarHBondContact CA-O 3.48Å; L432-F473 HydrophobicContact CB-CB 4.33Å; L432-F473 HydrophobicContact CD1-CB 3.45Å; L432-F473 VanDerWaalsContact CD1-CB 3.45Å; L432-F473 HydrophobicContact CD1-CD1 4.34Å; L432-F473 HydrophobicContact CD1-CG 4.14Å; L432-F473 HydrophobicContact CG-CB 3.58Å; L432-F473 PolarHBondContact N-O 3.49Å; I450-F473 HydrophobicContact CD1-CD1 3.86Å; I450-F473 HydrophobicContact CD1-CE1 4.12Å; Q465-F473 VanDerWaalsContact OE1-CZ 3.25Å; W470-F473 HydrophobicContact CE3-CD1 4.16Å; W470-F473 AromaticContact CE3-CD2 3.65Å; W470-F473 HydrophobicContact CE3-CD2 3.65Å; W470-F473 HydrophobicContact CE3-CE1 4.18Å; W470-F473 AromaticContact CE3-CE2 3.69Å; W470-F473 HydrophobicContact CE3-CE2 3.69Å; W470-F473 AromaticContact CE3-CG 3.92Å; W470-F473 HydrophobicContact CE3-CG 3.92Å; W470-F473 AromaticContact CE3-CZ 3.98Å; W470-F473 HydrophobicContact CE3-CZ 3.98Å; W470-F473 HydrophobicContact CZ3-CD1 4.09Å; W470-F473 HydrophobicContact CZ3-CD2 4.14Å; W470-F473 AromaticContact CZ3-CE1 3.73Å; W470-F473 HydrophobicContact CZ3-CE1 3.73Å; W470-F473 AromaticContact CZ3-CE2 3.79Å; W470-F473 HydrophobicContact CZ3-CE2 3.79Å; W470-F473 HydrophobicContact CZ3-CG 4.3Å; W470-F473 AromaticContact CZ3-CZ 3.59Å; W470-F473 HydrophobicContact CZ3-CZ 3.59Å; W470-F473 PolarHBondContact O-N 3.13Å; A471-F473 VanDerWaalsContact C-N 3.32Å; F473-V482 HydrophobicContact CB-CG1 4.25Å; F473-V482 HydrophobicContact CD1-CG1 4.27Å; F473-V483 WeakPolarHBondContact CA-O 3.16Å; F473-L484 HydrophobicContact CD1-CD2 3.2Å; F473-L484 HydrophobicContact CE1-CD2 3.29Å; F473-L484 HydrophobicContact CG-CD2 4.21Å; F473-L484 HydrophobicContact CZ-CD2 4.34Å
474	F	91.4	Very high	86.7	Confident	13 Å²	13	28 Å²	28	6%	0.057	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	116	-172.4	-76.9	-106.5	0	0	0	110.1	V430 P431 A471 V482 V483 L485	V430-F474 CarbonylContact O-C 3.59Å; P431-F474 HydrophobicContact CG-CD1 4.36Å; P431-F474 HydrophobicContact CG-CE1 3.83Å; P431-F474 HydrophobicContact CG-CZ 4.08Å; A471-F474 WeakPolarHBondContact O-CE2 3.4Å; F474-V482 CarbonylContact O-C 3.42Å; F474-V482 WeakPolarHBondContact O-CA 3.41Å; F474-V483 HydrophobicContact CB-CB 4.36Å; F474-V483 PolarHBondContact N-O 2.97Å; F474-V483 PolarHBondContact O-N 3.11Å; F474-L485 HydrophobicContact CD2-CD1 3.6Å; F474-L485 HydrophobicContact CD2-CG 4.2Å; F474-L485 HydrophobicContact CE2-CD1 3.46Å; F474-L485 VanDerWaalsContact CE2-CD1 3.46Å; F474-L485 HydrophobicContact CE2-CG 4.44Å; F474-L485 HydrophobicContact CZ-CD1 4.26Å
475	Y	93.4	Very high	86.5	Confident	15 Å²	15	30 Å²	30	6%	0.059	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	123	172.7	176.3	-114.7	0	0	0	110.5	G429 V430 L438 T442 I446 N480 V482	G429-Y475 CarbonylContact C-O 3.5Å; G429-Y475 WeakPolarHBondContact CA-O 3.1Å; V430-Y475 PolarHBondContact N-O 3.41Å; V430-Y475 PolarHBondContact O-N 3.46Å; L438-Y475 HydrophobicContact CD1-CD1 3.8Å; L438-Y475 HydrophobicContact CD1-CE1 3.8Å; T442-Y475 HydrophobicContact CG2-CE1 3.84Å; T442-Y475 WeakPolarHBondContact CG2-OH 3.3Å; I446-Y475 HydrophobicContact CD1-CD1 4.22Å; I446-Y475 HydrophobicContact CD1-CD2 4.15Å; I446-Y475 HydrophobicContact CD1-CE2 4.46Å; I446-Y475 HydrophobicContact CD1-CG 4.02Å; I446-Y475 HydrophobicContact CG1-CD2 4.22Å; I446-Y475 HydrophobicContact CG1-CE2 4.44Å; Y475-N480 WeakPolarHBondContact CE2-OD1 3.19Å; Y475-N480 PolarHBondContact OH-OD1 3.3Å; Y475-V482 HydrophobicContact CD2-CG2 4.03Å
476	N	92.4	Very high	86.4	Confident	19 Å²	19	31 Å²	31	10%	0.102	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	111.5	173.8	-173.7	-41.1	0	0	0	109.5	Q428 E478 T479 N480 K481	Q428-N476 PolarHBondContact O-ND2 3.07Å; N476-E478 VanDerWaalsContact C-N 3.29Å; N476-E478 PolarHBondContact O-N 3.03Å; N476-E478 WeakPolarHBondContact OD1-CA 3.33Å; N476-E478 WeakPolarHBondContact OD1-CB 3.48Å; N476-E478 PolarHBondContact OD1-N 2.97Å; N476-T479 WeakPolarHBondContact CB-OG1 3.22Å; N476-T479 PolarHBondContact OD1-N 3.36Å; N476-T479 VanDerWaalsContact OD1-N 3.16Å; N476-N480 VanDerWaalsContact O-CA 3.25Å; N476-N480 WeakPolarHBondContact O-CA 3.41Å; N476-N480 PolarHBondContact O-N 3.27Å; N476-K481 PolarHBondContact N-O 2.6Å; N476-K481 PolarHBondContact O-N 2.92Å
477	S	88.4	Confident	86.8	Confident	90 Å²	90	30.7 Å²	30.7	63%	0.629	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-17.6	-178.2	57.4	0	0	0	0	114.1
478	E	88.8	Confident	87.3	Confident	144 Å²	144	30.4 Å²	30.4	67%	0.673	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-39.7	177.7	-58.1	-173.1	167.6	0	0	111.5	N476	N476-E478 VanDerWaalsContact C-N 3.29Å; N476-E478 PolarHBondContact O-N 3.03Å; N476-E478 WeakPolarHBondContact OD1-CA 3.33Å; N476-E478 WeakPolarHBondContact OD1-CB 3.48Å; N476-E478 PolarHBondContact OD1-N 2.97Å
479	T	90.4	Very high	88.2	Confident	75 Å²	75	30.8 Å²	30.8	46%	0.46	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-10.3	179.1	61.2	0	0	0	0	113.3	N476 K481	N476-T479 WeakPolarHBondContact CB-OG1 3.22Å; N476-T479 PolarHBondContact OD1-N 3.36Å; N476-T479 VanDerWaalsContact OD1-N 3.16Å; T479-K481 VanDerWaalsContact C-N 3.25Å; T479-K481 PolarHBondContact O-N 3.48Å
480	N	91.5	Very high	88.8	Confident	57 Å²	57	29.8 Å²	29.8	31%	0.305	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	43.5	-169.5	-164.9	18.7	0	0	0	112.4	Y406 Q445 Y475 N476	Y406-N480 WeakPolarHBondContact CD2-O 3.42Å; Y406-N480 WeakPolarHBondContact CE2-O 3.42Å; Q445-N480 PolarHBondContact OE1-ND2 3.31Å; Y475-N480 WeakPolarHBondContact CE2-OD1 3.19Å; Y475-N480 PolarHBondContact OH-OD1 3.3Å; N476-N480 VanDerWaalsContact O-CA 3.25Å; N476-N480 WeakPolarHBondContact O-CA 3.41Å; N476-N480 PolarHBondContact O-N 3.27Å
481	K	93.9	Very high	89.3	Confident	59 Å²	59	30.1 Å²	30.1	26%	0.257	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	152	-180	-66.7	-159.8	175.7	-149.2	0	112.5	D404 P405 Y406 Q408 N476 T479	D404-K481 PolarHBondContact O-NZ 3.43Å; P405-K481 VanDerWaalsContact O-CE 3.25Å; P405-K481 WeakPolarHBondContact O-CE 3.1Å; Y406-K481 CarbonylContact O-C 3.5Å; Y406-K481 WeakPolarHBondContact O-CA 3.42Å; Y406-K481 WeakPolarHBondContact O-CB 3.08Å; Q408-K481 HydrophobicContact CB-CD 4.43Å; N476-K481 PolarHBondContact N-O 2.6Å; N476-K481 PolarHBondContact O-N 2.92Å; T479-K481 VanDerWaalsContact C-N 3.25Å; T479-K481 PolarHBondContact O-N 3.48Å
482	V	94.6	Very high	90	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.1	170.2	176.8	0	0	0	0	109.5	Y406 F407 Q408 L432 F473 F474 Y475 L484	Y406-V482 HydrophobicContact CD1-CB 4.46Å; Y406-V482 HydrophobicContact CD1-CG2 4.2Å; Y406-V482 HydrophobicContact CE1-CB 4.13Å; Y406-V482 HydrophobicContact CE1-CG2 3.42Å; Y406-V482 VanDerWaalsContact CE1-CG2 3.42Å; Y406-V482 PolarHBondContact O-N 3.24Å; F407-V482 WeakPolarHBondContact CA-O 3.29Å; F407-V482 HydrophobicContact CD1-CB 3.95Å; F407-V482 HydrophobicContact CD1-CG1 4.2Å; F407-V482 HydrophobicContact CE1-CB 3.94Å; F407-V482 HydrophobicContact CE1-CG1 4.04Å; Q408-V482 PolarHBondContact N-O 3.37Å; L432-V482 HydrophobicContact CD1-CG1 4.33Å; L432-V482 HydrophobicContact CD2-CG2 4.34Å; F473-V482 HydrophobicContact CB-CG1 4.25Å; F473-V482 HydrophobicContact CD1-CG1 4.27Å; F474-V482 CarbonylContact O-C 3.42Å; F474-V482 WeakPolarHBondContact O-CA 3.41Å; Y475-V482 HydrophobicContact CD2-CG2 4.03Å; V482-L484 HydrophobicContact CG1-CD2 4.16Å
483	V	94.1	Very high	90.3	Very high	4 Å²	4	30.2 Å²	30.2	2%	0.024	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.3	179.5	-168	0	0	0	0	110.3	Q408 P410 V427 F473 F474 L485	Q408-V483 HydrophobicContact CB-CG2 4.35Å; Q408-V483 CarbonylContact O-C 3.53Å; Q408-V483 VanDerWaalsContact O-CA 3.3Å; Q408-V483 WeakPolarHBondContact O-CA 3.46Å; P410-V483 HydrophobicContact CG-CG1 4.39Å; V427-V483 HydrophobicContact CB-CB 4.47Å; V427-V483 HydrophobicContact CB-CG1 3.93Å; V427-V483 HydrophobicContact CG1-CG1 3.51Å; V427-V483 HydrophobicContact CG2-CG1 4.37Å; F473-V483 WeakPolarHBondContact CA-O 3.16Å; F474-V483 HydrophobicContact CB-CB 4.36Å; F474-V483 PolarHBondContact N-O 2.97Å; F474-V483 PolarHBondContact O-N 3.11Å; V483-L485 HydrophobicContact CG1-CD2 4.43Å
484	L	93.7	Very high	90.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.5	-177.1	-50.6	-177.3	0	0	0	110.1	L401 F407 Q408 V409 P410 L453 F473 V482 F487	L401-L484 HydrophobicContact CD1-CD1 3.61Å; F407-L484 HydrophobicContact CD1-CD1 4.38Å; F407-L484 HydrophobicContact CD1-CD2 4.07Å; F407-L484 HydrophobicContact CD1-CG 4.35Å; F407-L484 HydrophobicContact CE1-CD2 4.41Å; Q408-L484 PolarHBondContact O-N 3.49Å; V409-L484 HydrophobicContact CG2-CB 4.36Å; V409-L484 HydrophobicContact CG2-CD1 4.29Å; P410-L484 WeakPolarHBondContact CD-O 3.46Å; L453-L484 HydrophobicContact CD2-CD1 4.05Å; L453-L484 HydrophobicContact CD2-CD2 4.48Å; F473-L484 HydrophobicContact CD1-CD2 3.2Å; F473-L484 HydrophobicContact CE1-CD2 3.29Å; F473-L484 HydrophobicContact CG-CD2 4.21Å; F473-L484 HydrophobicContact CZ-CD2 4.34Å; V482-L484 HydrophobicContact CG1-CD2 4.16Å; L484-F487 HydrophobicContact CB-CE1 4.34Å; L484-F487 HydrophobicContact CB-CE2 4.39Å; L484-F487 HydrophobicContact CB-CZ 3.64Å; L484-F487 WeakPolarHBondContact O-CE2 3.29Å
485	L	89	Confident	90.3	Very high	44 Å²	44	35.8 Å²	35.8	23%	0.23	20%	0.204	C	C	.	.			trans	-112.7	-38.9	-173.7	-67.7	-175.6	0	0	0	116.4	P410 V427 N472 F474 V483 F487	P410-L485 HydrophobicContact CG-CD2 3.54Å; V427-L485 HydrophobicContact CB-CD2 4.44Å; V427-L485 HydrophobicContact CG1-CD2 3.83Å; V427-L485 HydrophobicContact CG2-CD1 3.79Å; V427-L485 HydrophobicContact CG2-CD2 3.75Å; V427-L485 HydrophobicContact CG2-CG 4.15Å; N472-L485 PolarHBondContact O-N 3.17Å; F474-L485 HydrophobicContact CD2-CD1 3.6Å; F474-L485 HydrophobicContact CD2-CG 4.2Å; F474-L485 HydrophobicContact CE2-CD1 3.46Å; F474-L485 VanDerWaalsContact CE2-CD1 3.46Å; F474-L485 HydrophobicContact CE2-CG 4.44Å; F474-L485 HydrophobicContact CZ-CD1 4.26Å; V483-L485 HydrophobicContact CG1-CD2 4.43Å; L485-F487 WeakPolarHBondContact O-CD2 3.31Å
486	D	87.4	Confident	90.2	Very high	19 Å²	19	39.9 Å²	39.9	10%	0.102	23%	0.23	C	C	.	.			trans	-105.1	107.2	-167.2	-167.7	-21.1	0	0	0	111.9	Q465 N472 G488	Q465-D486 PolarHBondContact NE2-O 3.27Å; N472-D486 HydrophobicContact CB-CB 3.71Å; N472-D486 WeakPolarHBondContact ND2-CB 3.47Å; N472-D486 PolarHBondContact ND2-OD2 3.39Å; D486-G488 PolarHBondContact OD1-N 3.45Å; D486-G488 VanDerWaalsContact OD1-N 3.09Å
487	F	90.5	Very high	90.1	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.23	C	C	.	.			trans	-109.3	14.5	-177.8	-61.2	-83.7	0	0	0	112.6	E390 A394 F397 V409 M424 L484 L485 A489 C490	E390-F487 HydrophobicContact CG-CB 4.2Å; A394-F487 HydrophobicContact CB-CB 4.29Å; A394-F487 HydrophobicContact CB-CD2 3.5Å; A394-F487 VanDerWaalsContact CB-CD2 3.5Å; A394-F487 HydrophobicContact CB-CE2 3.99Å; A394-F487 HydrophobicContact CB-CG 3.96Å; F397-F487 HydrophobicContact CB-CD1 4.03Å; F397-F487 HydrophobicContact CB-CE1 3.5Å; F397-F487 HydrophobicContact CB-CZ 4.12Å; F397-F487 HydrophobicContact CD1-CE1 4.15Å; F397-F487 AromaticContact CD2-CD1 3.46Å; F397-F487 HydrophobicContact CD2-CD1 3.46Å; F397-F487 VanDerWaalsContact CD2-CD1 3.46Å; F397-F487 AromaticContact CD2-CE1 3.63Å; F397-F487 HydrophobicContact CD2-CE1 3.63Å; F397-F487 HydrophobicContact CE2-CD1 4.11Å; F397-F487 HydrophobicContact CE2-CE1 4.39Å; F397-F487 AromaticContact CG-CD1 3.85Å; F397-F487 HydrophobicContact CG-CD1 3.85Å; F397-F487 AromaticContact CG-CE1 3.49Å; F397-F487 HydrophobicContact CG-CE1 3.49Å; F397-F487 VanDerWaalsContact CG-CE1 3.49Å; V409-F487 HydrophobicContact CB-CZ 4.35Å; V409-F487 HydrophobicContact CG1-CE2 3.64Å; V409-F487 HydrophobicContact CG1-CZ 3.54Å; V409-F487 HydrophobicContact CG2-CZ 3.93Å; M424-F487 HydrophobicContact CE-CE2 4.47Å; L484-F487 HydrophobicContact CB-CE1 4.34Å; L484-F487 HydrophobicContact CB-CE2 4.39Å; L484-F487 HydrophobicContact CB-CZ 3.64Å; L484-F487 WeakPolarHBondContact O-CE2 3.29Å; L485-F487 WeakPolarHBondContact O-CD2 3.31Å; F487-A489 VanDerWaalsContact C-N 3.27Å; F487-A489 PolarHBondContact O-N 3.22Å; F487-C490 VanDerWaalsContact CA-SG 3.59Å; F487-C490 PolarHBondContact O-N 2.86Å; F487-C490 PolarHBondContact O-SG 3.11Å
488	G	84.6	Confident	90.3	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-33.9	-177.3	0	0	0	0	0	113.1	R389 D486	R389-G488 PolarHBondContact NH1-O 3.24Å; D486-G488 PolarHBondContact OD1-N 3.45Å; D486-G488 VanDerWaalsContact OD1-N 3.09Å
489	A	82.3	Confident	90.4	Very high	17 Å²	17	30.4 Å²	30.4	14%	0.14	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	30.5	-178.9	0	0	0	0	0	113.9	T466 D467 F487	T466-A489 WeakPolarHBondContact CB-O 3.43Å; T466-A489 PolarHBondContact N-O 3.22Å; T466-A489 VanDerWaalsContact N-O 3.08Å; T466-A489 PolarHBondContact OG1-O 3.29Å; D467-A489 HydrophobicContact CB-CB 4.03Å; F487-A489 VanDerWaalsContact C-N 3.27Å; F487-A489 PolarHBondContact O-N 3.22Å
490	C	89.4	Confident	90.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.007	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	141.4	176.2	-63.9	0	0	0	0	111.9	R389 F397 F463 M464 F487	R389-C490 PolarHBondContact NH2-O 3.4Å; F397-C490 HydrophobicContact CE2-CB 4.23Å; F397-C490 WeakPolarHBondContact CE2-SG 3.34Å; F463-C490 HydrophobicContact CE1-CB 3.94Å; F463-C490 HydrophobicContact CE2-CB 4.13Å; F463-C490 HydrophobicContact CZ-CB 3.53Å; M464-C490 CarbonylContact O-C 3.48Å; M464-C490 VanDerWaalsContact O-CA 3.27Å; M464-C490 WeakPolarHBondContact O-CA 3.35Å; F487-C490 VanDerWaalsContact CA-SG 3.59Å; F487-C490 PolarHBondContact O-N 2.86Å; F487-C490 PolarHBondContact O-SG 3.11Å
491	R	88.2	Confident	90.5	Very high	24 Å²	24	27 Å²	27	9%	0.091	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.7	178.2	-167.8	175.1	-174.1	154.4	6.2	111.3	F463 M464 T466 Y493 E583 E584	F463-R491 WeakPolarHBondContact CA-O 3.42Å; M464-R491 PolarHBondContact N-O 2.86Å; M464-R491 PolarHBondContact O-N 2.98Å; T466-R491 HydrophobicContact CG2-CB 4.23Å; R491-Y493 HydrophobicContact CB-CE2 4.18Å; R491-Y493 HydrophobicContact CG-CE2 4.47Å; R491-E583 IonicContact CZ-OE2 3.25Å; R491-E583 VanDerWaalsContact NH1-C 3.29Å; R491-E583 PolarHBondContact NH1-O 2.88Å; R491-E583 IonicContact NH1-OE2 3.73Å; R491-E583 IonicContact NH2-OE2 2.82Å; R491-E583 PolarHBondContact NH2-OE2 3.16Å; R491-E584 IonicContact CZ-OE1 2.97Å; R491-E584 VanDerWaalsContact NH2-CD 3.32Å; R491-E584 IonicContact NH2-OE1 3.98Å; R491-E584 PolarHBondContact NH2-OE1 3.48Å
492	G	91.3	Very high	90.5	Very high	41 Å²	41	24.1 Å²	24.1	42%	0.423	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	141.9	168.6	0	0	0	0	0	111.2	R462	R462-G492 WeakPolarHBondContact O-CA 3.28Å
493	Y	91.1	Very high	90.4	Very high	10 Å²	10	26.3 Å²	26.3	4%	0.039	15%	0.152	C	C	.	.			trans	-111.7	129.6	179	-74.1	-92.8	0	0	0	110.3	L458 R462 M464 R491 F497 E584 L588	L458-Y493 HydrophobicContact CD2-CD2 4.12Å; L458-Y493 HydrophobicContact CD2-CE2 4.2Å; L458-Y493 HydrophobicContact CD2-CG 4.35Å; R462-Y493 PolarHBondContact O-N 3.42Å; M464-Y493 HydrophobicContact CB-CD2 4.27Å; M464-Y493 HydrophobicContact CB-CE2 3.79Å; M464-Y493 HydrophobicContact SD-CE2 4.38Å; R491-Y493 HydrophobicContact CB-CE2 4.18Å; R491-Y493 HydrophobicContact CG-CE2 4.47Å; Y493-F497 AromaticContact CD1-CD1 3.68Å; Y493-F497 HydrophobicContact CD1-CD1 3.68Å; Y493-F497 AromaticContact CD1-CE1 3.7Å; Y493-F497 HydrophobicContact CD1-CE1 3.7Å; Y493-F497 HydrophobicContact CE1-CD1 4.42Å; Y493-F497 AromaticContact CE1-CE1 4Å; Y493-F497 HydrophobicContact CE1-CE1 4Å; Y493-E584 HydrophobicContact CD1-CB 4.28Å; Y493-E584 HydrophobicContact CE1-CB 3.88Å; Y493-E584 PolarHBondContact OH-O 3.07Å; Y493-L588 HydrophobicContact CE1-CB 4.14Å; Y493-L588 HydrophobicContact CE1-CD1 4.38Å; Y493-L588 PolarHBondContact OH-N 2.92Å
494	P	91.1	Very high	90.4	Very high	63 Å²	63	26.3 Å²	26.3	41%	0.409	15%	0.152	S	C	.	.			trans	-59.5	146.3	174.2	-22.7	33.3	0	0	0	111.4	T496 F497 T498	P494-T496 VanDerWaalsContact C-N 3.33Å; P494-T496 PolarHBondContact O-N 3.38Å; P494-F497 HydrophobicContact CB-CB 4.34Å; P494-F497 WeakPolarHBondContact O-CB 3.2Å; P494-F497 PolarHBondContact O-N 3.11Å; P494-F497 VanDerWaalsContact O-N 3.13Å; P494-T498 PolarHBondContact O-N 3.16Å; P494-T498 VanDerWaalsContact O-N 3.11Å
495	E	90.3	Very high	90.3	Very high	69 Å²	69	27.1 Å²	27.1	32%	0.322	16%	0.157	S	C	.	.	H	α-helix	trans	-55.8	-47.2	178	176.5	165.7	-125.9	0	0	112.6	R462 F497 T498 D499 R623	R462-E495 IonicContact CZ-OE1 3.64Å; R462-E495 IonicContact NH1-OE1 3.24Å; R462-E495 PolarHBondContact NH1-OE1 2.8Å; E495-F497 PolarHBondContact O-N 2.95Å; E495-T498 PolarHBondContact O-N 3.27Å; E495-T498 PolarHBondContact O-OG1 2.69Å; E495-D499 PolarHBondContact O-N 2.96Å; E495-R623 VanDerWaalsContact CD-NH1 3.31Å; E495-R623 IonicContact OE1-CZ 3.76Å; E495-R623 IonicContact OE1-NE 2.75Å; E495-R623 IonicContact OE1-NH1 2.74Å; E495-R623 PolarHBondContact OE1-NH1 3.39Å; E495-R623 IonicContact OE1-NH2 3.19Å; E495-R623 IonicContact OE2-NH1 3.78Å; E495-R623 IonicContact OE2-NH2 2.85Å
496	T	90.6	Very high	90.6	Very high	100 Å²	100	28.8 Å²	28.8	61%	0.613	16%	0.16	S	C	*	.	H	α-helix	trans	-56.1	-39.3	178.1	51.3	0	0	0	0	112.3	P494 D500	P494-T496 VanDerWaalsContact C-N 3.33Å; P494-T496 PolarHBondContact O-N 3.38Å; T496-D500 PolarHBondContact O-N 3.28Å
497	F	90.7	Very high	91	Very high	22 Å²	22	28 Å²	28	10%	0.096	16%	0.156	C	C	.	.	H	α-helix	trans	-66	-46.2	175.9	-178.9	-85.5	0	0	0	111	Y493 P494 E495 D499 D500 Y501 L523 F525 E584 L588	Y493-F497 AromaticContact CD1-CD1 3.68Å; Y493-F497 HydrophobicContact CD1-CD1 3.68Å; Y493-F497 AromaticContact CD1-CE1 3.7Å; Y493-F497 HydrophobicContact CD1-CE1 3.7Å; Y493-F497 HydrophobicContact CE1-CD1 4.42Å; Y493-F497 AromaticContact CE1-CE1 4Å; Y493-F497 HydrophobicContact CE1-CE1 4Å; P494-F497 HydrophobicContact CB-CB 4.34Å; P494-F497 WeakPolarHBondContact O-CB 3.2Å; P494-F497 PolarHBondContact O-N 3.11Å; P494-F497 VanDerWaalsContact O-N 3.13Å; E495-F497 PolarHBondContact O-N 2.95Å; F497-D499 VanDerWaalsContact C-N 3.35Å; F497-D499 PolarHBondContact O-N 2.95Å; F497-D500 PolarHBondContact O-N 2.9Å; F497-Y501 HydrophobicContact CE1-CD2 4.34Å; F497-Y501 HydrophobicContact CE1-CG 4.31Å; F497-Y501 HydrophobicContact CZ-CD2 4.33Å; F497-Y501 WeakPolarHBondContact O-CB 3.34Å; F497-Y501 PolarHBondContact O-N 3.45Å; F497-L523 HydrophobicContact CD2-CD2 3.77Å; F497-L523 HydrophobicContact CE2-CD2 3.9Å; F497-L523 HydrophobicContact CG-CD2 4.26Å; F497-L523 HydrophobicContact CZ-CD2 4.48Å; F497-F525 HydrophobicContact CE2-CE1 4.32Å; F497-F525 HydrophobicContact CZ-CZ 4.41Å; F497-E584 HydrophobicContact CE2-CB 4.19Å; F497-E584 HydrophobicContact CZ-CB 4.33Å; F497-L588 HydrophobicContact CE1-CD2 3.63Å; F497-L588 HydrophobicContact CZ-CD2 3.65Å
498	T	92	Very high	91.1	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-67.9	-34	-179.9	59.1	0	0	0	0	113.2	R462 P494 E495 Y501 I502 Y619	R462-T498 HydrophobicContact CG-CG2 4.15Å; P494-T498 PolarHBondContact O-N 3.16Å; P494-T498 VanDerWaalsContact O-N 3.11Å; E495-T498 PolarHBondContact O-N 3.27Å; E495-T498 PolarHBondContact O-OG1 2.69Å; T498-Y501 PolarHBondContact O-N 3.04Å; T498-I502 WeakPolarHBondContact O-CB 3.2Å; T498-I502 PolarHBondContact O-N 2.9Å; T498-Y619 PolarHBondContact OG1-OH 3.42Å
499	D	91.9	Very high	91.5	Very high	31 Å²	31	28.8 Å²	28.8	17%	0.166	16%	0.162	C	C	.	.	H	α-helix	trans	-61.7	-46.6	176.8	-84.5	-35.2	0	0	0	110.7	E495 F497 I502 Q503 Y619 R623	E495-D499 PolarHBondContact O-N 2.96Å; F497-D499 VanDerWaalsContact C-N 3.35Å; F497-D499 PolarHBondContact O-N 2.95Å; D499-I502 WeakPolarHBondContact O-CG2 3.37Å; D499-Q503 VanDerWaalsContact O-CG 3.27Å; D499-Q503 WeakPolarHBondContact O-CG 3.43Å; D499-Y619 WeakPolarHBondContact CA-OH 3.44Å; D499-Y619 PolarHBondContact N-OH 3.01Å; D499-Y619 VanDerWaalsContact N-OH 3.14Å; D499-Y619 WeakPolarHBondContact OD1-CE1 3.2Å; D499-Y619 PolarHBondContact OD1-OH 3.32Å; D499-R623 WeakPolarHBondContact OD1-CD 3.34Å; D499-R623 IonicContact OD1-CZ 2.82Å; D499-R623 IonicContact OD1-NE 2.79Å; D499-R623 PolarHBondContact OD1-NE 3.11Å; D499-R623 IonicContact OD1-NH2 3.89Å; D499-R623 IonicContact OD2-CZ 3.11Å; D499-R623 IonicContact OD2-NE 3.57Å; D499-R623 PolarHBondContact OD2-NE 3.1Å; D499-R623 IonicContact OD2-NH2 3.76Å; D499-R623 PolarHBondContact OD2-NH2 3.31Å
500	D	92.4	Very high	92	Very high	39 Å²	39	32 Å²	32	21%	0.209	18%	0.18	C	C	.	.	H	α-helix	trans	-75.9	-36.5	178.4	-73.1	-35.5	0	0	0	111.6	T496 F497 Q503 V504 K519 L523	T496-D500 PolarHBondContact O-N 3.28Å; F497-D500 PolarHBondContact O-N 2.9Å; D500-Q503 PolarHBondContact O-N 3.27Å; D500-V504 PolarHBondContact O-N 2.89Å; D500-V504 VanDerWaalsContact O-N 3.12Å; D500-K519 HydrophobicContact CB-CD 4.39Å; D500-K519 IonicContact OD1-NZ 2.7Å; D500-K519 PolarHBondContact OD1-NZ 2.91Å; D500-L523 HydrophobicContact CB-CD1 4.32Å; D500-L523 HydrophobicContact CB-CD2 3.65Å; D500-L523 HydrophobicContact CB-CG 3.75Å
501	Y	92.3	Very high	92.1	Very high	20 Å²	20	34.2 Å²	34.2	8%	0.078	20%	0.203	C	C	.	.	H	α-helix	trans	-65.2	-42.6	-179.1	-166	-101.8	0	0	0	112.4	L458 F459 F497 T498 Q503 V504 V505 L523 F525 L588 H589	L458-Y501 HydrophobicContact CD1-CE1 4.38Å; F459-Y501 HydrophobicContact CE1-CD1 4.04Å; F459-Y501 AromaticContact CZ-CD1 3.86Å; F459-Y501 HydrophobicContact CZ-CD1 3.86Å; F459-Y501 HydrophobicContact CZ-CE1 4.37Å; F497-Y501 HydrophobicContact CE1-CD2 4.34Å; F497-Y501 HydrophobicContact CE1-CG 4.31Å; F497-Y501 HydrophobicContact CZ-CD2 4.33Å; F497-Y501 WeakPolarHBondContact O-CB 3.34Å; F497-Y501 PolarHBondContact O-N 3.45Å; T498-Y501 PolarHBondContact O-N 3.04Å; Y501-Q503 PolarHBondContact O-N 2.99Å; Y501-V504 WeakPolarHBondContact O-CB 3.28Å; Y501-V504 PolarHBondContact O-N 2.93Å; Y501-V504 VanDerWaalsContact O-N 3.15Å; Y501-V505 HydrophobicContact CD1-CG2 4.21Å; Y501-V505 HydrophobicContact CE1-CG2 3.92Å; Y501-V505 WeakPolarHBondContact O-CG2 3.5Å; Y501-V505 PolarHBondContact O-N 3.36Å; Y501-V505 VanDerWaalsContact O-N 3.12Å; Y501-L523 HydrophobicContact CD2-CD1 4.14Å; Y501-F525 HydrophobicContact CD2-CE2 4.33Å; Y501-F525 HydrophobicContact CD2-CZ 4.11Å; Y501-F525 HydrophobicContact CE2-CE2 4.22Å; Y501-F525 HydrophobicContact CE2-CZ 4.11Å; Y501-L588 HydrophobicContact CD1-CD2 4.25Å; Y501-L588 HydrophobicContact CD2-CD2 3.82Å; Y501-L588 HydrophobicContact CE1-CD1 4.38Å; Y501-L588 HydrophobicContact CE1-CD2 3.86Å; Y501-L588 HydrophobicContact CE1-CG 4.42Å; Y501-L588 HydrophobicContact CE2-CD2 3.39Å; Y501-L588 HydrophobicContact CE2-CG 4.46Å; Y501-L588 HydrophobicContact CG-CD2 4.24Å; Y501-L588 VanDerWaalsContact CZ-CD2 3.41Å; Y501-H589 AromaticContact CE2-NE2 3.84Å
502	I	92.8	Very high	92.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.7	-33.7	178.4	-154.2	177.1	0	0	0	111.7	F459 T498 D499 V505 Y506 Y616 Y619	F459-I502 HydrophobicContact CB-CD1 4.2Å; F459-I502 HydrophobicContact CD1-CB 3.73Å; F459-I502 HydrophobicContact CD1-CD1 3.71Å; F459-I502 HydrophobicContact CD1-CG1 3.72Å; F459-I502 HydrophobicContact CD2-CD1 4.19Å; F459-I502 HydrophobicContact CD2-CG1 4.28Å; F459-I502 HydrophobicContact CE1-CB 3.38Å; F459-I502 HydrophobicContact CE1-CD1 4.11Å; F459-I502 HydrophobicContact CE1-CG1 3.57Å; F459-I502 HydrophobicContact CE2-CG1 4.13Å; F459-I502 HydrophobicContact CG-CD1 3.76Å; F459-I502 HydrophobicContact CG-CG1 4.09Å; F459-I502 HydrophobicContact CZ-CB 3.96Å; F459-I502 HydrophobicContact CZ-CD1 4.49Å; F459-I502 HydrophobicContact CZ-CG1 3.77Å; T498-I502 WeakPolarHBondContact O-CB 3.2Å; T498-I502 PolarHBondContact O-N 2.9Å; D499-I502 WeakPolarHBondContact O-CG2 3.37Å; I502-V505 PolarHBondContact O-N 3.35Å; I502-Y506 WeakPolarHBondContact O-CB 3.15Å; I502-Y506 PolarHBondContact O-N 3.44Å; I502-Y616 HydrophobicContact CD1-CD2 3.96Å; I502-Y616 HydrophobicContact CG1-CD2 3.97Å; I502-Y619 HydrophobicContact CD1-CD1 3.7Å; I502-Y619 HydrophobicContact CD1-CD2 4.09Å; I502-Y619 HydrophobicContact CD1-CE1 4.39Å; I502-Y619 HydrophobicContact CD1-CG 3.51Å; I502-Y619 HydrophobicContact CG2-CD1 3.87Å; I502-Y619 HydrophobicContact CG2-CE1 3.75Å
503	Q	93.8	Very high	92.6	Very high	46 Å²	46	38.7 Å²	38.7	22%	0.215	21%	0.211	C	C	.	.	H	α-helix	trans	-69.3	-35.4	176.3	-64	-64.5	-22	0	0	111.7	D499 D500 Y501 Y506 A507 K519	D499-Q503 VanDerWaalsContact O-CG 3.27Å; D499-Q503 WeakPolarHBondContact O-CG 3.43Å; D500-Q503 PolarHBondContact O-N 3.27Å; Y501-Q503 PolarHBondContact O-N 2.99Å; Q503-Y506 PolarHBondContact O-N 3.08Å; Q503-A507 WeakPolarHBondContact O-CB 3.39Å; Q503-A507 PolarHBondContact O-N 3.21Å; Q503-K519 HydrophobicContact CB-CG 4.23Å
504	V	93.3	Very high	92.8	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.024	24%	0.242	C	C	.	.	H	α-helix	trans	-61.6	-48.2	172.1	173.6	0	0	0	0	110.9	D500 Y501 Y506 A507 A508 V516 K519 L523 V542	D500-V504 PolarHBondContact O-N 2.89Å; D500-V504 VanDerWaalsContact O-N 3.12Å; Y501-V504 WeakPolarHBondContact O-CB 3.28Å; Y501-V504 PolarHBondContact O-N 2.93Å; Y501-V504 VanDerWaalsContact O-N 3.15Å; V504-Y506 VanDerWaalsContact C-N 3.34Å; V504-Y506 PolarHBondContact O-N 3.32Å; V504-A507 PolarHBondContact O-N 3.42Å; V504-A508 WeakPolarHBondContact O-CB 3.17Å; V504-A508 PolarHBondContact O-N 3.04Å; V504-V516 HydrophobicContact CG1-CG1 4.47Å; V504-K519 HydrophobicContact CG2-CB 3.43Å; V504-K519 VanDerWaalsContact CG2-CB 3.43Å; V504-L523 HydrophobicContact CG2-CD1 3.67Å; V504-V542 HydrophobicContact CG1-CG1 3.65Å
505	V	92.2	Very high	92.9	Very high	17 Å²	17	43.5 Å²	43.5	10%	0.103	24%	0.236	C	C	.	.	H	α-helix	trans	-64.7	-41.7	-179.7	-176.5	0	0	0	0	110.7	Y501 I502 A508 S509 F549 F612	Y501-V505 HydrophobicContact CD1-CG2 4.21Å; Y501-V505 HydrophobicContact CE1-CG2 3.92Å; Y501-V505 WeakPolarHBondContact O-CG2 3.5Å; Y501-V505 PolarHBondContact O-N 3.36Å; Y501-V505 VanDerWaalsContact O-N 3.12Å; I502-V505 PolarHBondContact O-N 3.35Å; V505-A508 PolarHBondContact O-N 2.8Å; V505-S509 PolarHBondContact O-N 3.09Å; V505-F549 HydrophobicContact CG1-CD2 3.9Å; V505-F549 HydrophobicContact CG1-CE2 4.12Å; V505-F612 HydrophobicContact CB-CE2 3.95Å; V505-F612 HydrophobicContact CB-CZ 3.92Å; V505-F612 HydrophobicContact CG1-CD2 4.02Å; V505-F612 HydrophobicContact CG1-CE1 4.3Å; V505-F612 HydrophobicContact CG1-CE2 3.4Å; V505-F612 VanDerWaalsContact CG1-CE2 3.4Å; V505-F612 HydrophobicContact CG1-CZ 3.57Å
506	Y	94.3	Very high	93.1	Very high	78 Å²	78	40.2 Å²	40.2	31%	0.306	22%	0.221	S	C	.	.	H	α-helix	trans	-62.8	-49.4	176.4	-179.5	-101.2	0	0	0	112.1	I502 Q503 V504 A508 S509 V510 F612 L613 Y616	I502-Y506 WeakPolarHBondContact O-CB 3.15Å; I502-Y506 PolarHBondContact O-N 3.44Å; Q503-Y506 PolarHBondContact O-N 3.08Å; V504-Y506 VanDerWaalsContact C-N 3.34Å; V504-Y506 PolarHBondContact O-N 3.32Å; Y506-A508 VanDerWaalsContact C-N 3.27Å; Y506-A508 PolarHBondContact O-N 2.71Å; Y506-S509 WeakPolarHBondContact O-CB 3.43Å; Y506-S509 PolarHBondContact O-N 2.87Å; Y506-S509 PolarHBondContact O-OG 3.44Å; Y506-V510 HydrophobicContact CE1-CG1 4.32Å; Y506-V510 HydrophobicContact CE1-CG2 4.49Å; Y506-V510 HydrophobicContact CE2-CG1 4.23Å; Y506-V510 PolarHBondContact O-N 3.32Å; Y506-V510 VanDerWaalsContact O-N 3.17Å; Y506-F612 HydrophobicContact CD2-CE1 4.11Å; Y506-L613 HydrophobicContact CE2-CD2 4.2Å; Y506-Y616 HydrophobicContact CD1-CE2 4.2Å; Y506-Y616 AromaticContact CD1-CZ 3.99Å; Y506-Y616 AromaticContact CD2-CD1 3.97Å; Y506-Y616 HydrophobicContact CD2-CD1 3.97Å; Y506-Y616 AromaticContact CD2-CD2 3.88Å; Y506-Y616 HydrophobicContact CD2-CD2 3.88Å; Y506-Y616 AromaticContact CD2-CE1 3.84Å; Y506-Y616 HydrophobicContact CD2-CE1 3.84Å; Y506-Y616 AromaticContact CD2-CE2 3.75Å; Y506-Y616 HydrophobicContact CD2-CE2 3.75Å; Y506-Y616 AromaticContact CD2-CG 3.98Å; Y506-Y616 HydrophobicContact CD2-CG 3.98Å; Y506-Y616 AromaticContact CD2-CZ 3.72Å; Y506-Y616 HydrophobicContact CE2-CD1 4.1Å; Y506-Y616 AromaticContact CE2-CE1 3.83Å; Y506-Y616 HydrophobicContact CE2-CE1 3.83Å; Y506-Y616 HydrophobicContact CG-CD2 4.04Å; Y506-Y616 HydrophobicContact CG-CE1 4.28Å; Y506-Y616 AromaticContact CG-CE2 3.56Å; Y506-Y616 HydrophobicContact CG-CE2 3.56Å; Y506-Y616 AromaticContact CG-CZ 3.69Å
507	A	95.2	Very high	93.1	Very high	2 Å²	2	37.3 Å²	37.3	2%	0.017	20%	0.201	C	C	.	.	H	α-helix	trans	-57	-41.6	176.6	0	0	0	0	0	111.8	Q503 V504 S509 V510 G511 D512 T515 V516	Q503-A507 WeakPolarHBondContact O-CB 3.39Å; Q503-A507 PolarHBondContact O-N 3.21Å; V504-A507 PolarHBondContact O-N 3.42Å; A507-S509 VanDerWaalsContact C-N 3.34Å; A507-S509 PolarHBondContact O-N 2.82Å; A507-V510 WeakPolarHBondContact O-CG2 3.07Å; A507-V510 PolarHBondContact O-N 2.96Å; A507-G511 PolarHBondContact O-N 3.2Å; A507-G511 VanDerWaalsContact O-N 3.11Å; A507-D512 HydrophobicContact CB-CB 4.15Å; A507-D512 PolarHBondContact O-N 3.15Å; A507-T515 HydrophobicContact CB-CG2 3.71Å; A507-V516 HydrophobicContact CB-CG2 3.75Å
508	A	93.3	Very high	93.3	Very high	5 Å²	5	39.2 Å²	39.2	4%	0.041	22%	0.217	C	C	.	.	H	α-helix	trans	-62.7	-39	174.8	0	0	0	0	0	112.6	V504 V505 Y506 V510 G511 V516 V542 M543	V504-A508 WeakPolarHBondContact O-CB 3.17Å; V504-A508 PolarHBondContact O-N 3.04Å; V505-A508 PolarHBondContact O-N 2.8Å; Y506-A508 VanDerWaalsContact C-N 3.27Å; Y506-A508 PolarHBondContact O-N 2.71Å; A508-V510 VanDerWaalsContact C-N 3.28Å; A508-V510 PolarHBondContact O-N 2.75Å; A508-G511 PolarHBondContact O-N 3.04Å; A508-V516 HydrophobicContact CB-CG2 4.19Å; A508-V542 HydrophobicContact CB-CG1 3.91Å; A508-M543 HydrophobicContact CB-SD 4.24Å; A508-M543 VanDerWaalsContact O-CE 3.29Å; A508-M543 WeakPolarHBondContact O-CE 3.46Å
509	S	92.5	Very high	93.3	Very high	14 Å²	14	41.6 Å²	41.6	10%	0.098	23%	0.227	C	C	.	.	H	α-helix	trans	-67.5	-24.9	178.2	77.4	0	0	0	0	114	V505 Y506 A507 A550	V505-S509 PolarHBondContact O-N 3.09Å; Y506-S509 WeakPolarHBondContact O-CB 3.43Å; Y506-S509 PolarHBondContact O-N 2.87Å; Y506-S509 PolarHBondContact O-OG 3.44Å; A507-S509 VanDerWaalsContact C-N 3.34Å; A507-S509 PolarHBondContact O-N 2.82Å; S509-A550 WeakPolarHBondContact O-CB 3.33Å
510	V	93.6	Very high	93.2	Very high	84 Å²	84	40.1 Å²	40.1	51%	0.509	22%	0.22	S	C	.	.	H	α-helix	trans	-104.1	1	-179.6	-58.1	0	0	0	0	113.9	Y506 A507 A508 D512	Y506-V510 HydrophobicContact CE1-CG1 4.32Å; Y506-V510 HydrophobicContact CE1-CG2 4.49Å; Y506-V510 HydrophobicContact CE2-CG1 4.23Å; Y506-V510 PolarHBondContact O-N 3.32Å; Y506-V510 VanDerWaalsContact O-N 3.17Å; A507-V510 WeakPolarHBondContact O-CG2 3.07Å; A507-V510 PolarHBondContact O-N 2.96Å; A508-V510 VanDerWaalsContact C-N 3.28Å; A508-V510 PolarHBondContact O-N 2.75Å; V510-D512 HydrophobicContact CG2-CB 4.04Å
511	G	92.4	Very high	93	Very high	47 Å²	47	42.1 Å²	42.1	49%	0.485	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	8.4	179.5	0	0	0	0	0	115.4	A507 A508 R513	A507-G511 PolarHBondContact O-N 3.2Å; A507-G511 VanDerWaalsContact O-N 3.11Å; A508-G511 PolarHBondContact O-N 3.04Å; G511-R513 PolarHBondContact O-N 3.34Å; G511-R513 VanDerWaalsContact O-N 3.13Å
512	D	94.7	Very high	92.9	Very high	60 Å²	60	44.8 Å²	44.8	32%	0.321	24%	0.242	S	C	.	.			trans	-84.1	88.3	-175.8	-175.4	-7.1	0	0	0	111.9	A507 V510 D514 T515 V516	A507-D512 HydrophobicContact CB-CB 4.15Å; A507-D512 PolarHBondContact O-N 3.15Å; V510-D512 HydrophobicContact CG2-CB 4.04Å; D512-D514 VanDerWaalsContact C-N 3.32Å; D512-D514 PolarHBondContact O-N 2.83Å; D512-D514 PolarHBondContact OD1-N 3.48Å; D512-D514 VanDerWaalsContact OD1-N 3.17Å; D512-T515 VanDerWaalsContact CG-CB 3.48Å; D512-T515 VanDerWaalsContact CG-OG1 3.24Å; D512-T515 PolarHBondContact OD1-N 3.19Å; D512-T515 PolarHBondContact OD1-OG1 3.46Å; D512-T515 WeakPolarHBondContact OD2-CB 3.44Å; D512-T515 PolarHBondContact OD2-OG1 3Å; D512-V516 WeakPolarHBondContact O-CG2 3.37Å; D512-V516 PolarHBondContact O-N 2.93Å
513	R	94.7	Very high	92.5	Very high	100 Å²	100	45.2 Å²	45.2	38%	0.377	24%	0.244	S	C	.	.	H	α-helix	trans	-67.1	-30.4	-179.6	-63.4	-175.4	79.6	101.1	-2.3	113.2	G511 L517 V539 E540 M543	G511-R513 PolarHBondContact O-N 3.34Å; G511-R513 VanDerWaalsContact O-N 3.13Å; R513-L517 PolarHBondContact O-N 2.81Å; R513-V539 HydrophobicContact CB-CG1 3.89Å; R513-V539 HydrophobicContact CG-CG1 4.03Å; R513-E540 IonicContact CZ-OE2 2.78Å; R513-E540 VanDerWaalsContact CZ-OE2 3.28Å; R513-E540 IonicContact NH1-OE2 3.06Å; R513-E540 PolarHBondContact NH1-OE2 3.15Å; R513-E540 IonicContact NH2-OE2 3.94Å; R513-E540 PolarHBondContact NH2-OE2 2.87Å; R513-M543 HydrophobicContact CG-CE 4.5Å; R513-M543 HydrophobicContact CG-CG 4.18Å; R513-M543 HydrophobicContact CG-SD 4.04Å
514	D	94.1	Very high	92.2	Very high	128 Å²	128	49.6 Å²	49.6	68%	0.684	26%	0.263	S	S	*	.	H	α-helix	trans	-73.2	-43.2	-176.6	-72.4	-33.4	0	0	0	110.7	D512 L517 S518	D512-D514 VanDerWaalsContact C-N 3.32Å; D512-D514 PolarHBondContact O-N 2.83Å; D512-D514 PolarHBondContact OD1-N 3.48Å; D512-D514 VanDerWaalsContact OD1-N 3.17Å; D514-L517 PolarHBondContact O-N 3.44Å; D514-S518 WeakPolarHBondContact O-CB 3.29Å; D514-S518 PolarHBondContact O-N 2.69Å
515	T	94.1	Very high	91.6	Very high	46 Å²	46	50 Å²	50	28%	0.282	26%	0.264	S	S	.	.	H	α-helix	trans	-64.9	-41	173.8	-63.7	0	0	0	0	111.2	A507 D512 L517 S518 K519	A507-T515 HydrophobicContact CB-CG2 3.71Å; D512-T515 VanDerWaalsContact CG-CB 3.48Å; D512-T515 VanDerWaalsContact CG-OG1 3.24Å; D512-T515 PolarHBondContact OD1-N 3.19Å; D512-T515 PolarHBondContact OD1-OG1 3.46Å; D512-T515 WeakPolarHBondContact OD2-CB 3.44Å; D512-T515 PolarHBondContact OD2-OG1 3Å; T515-L517 VanDerWaalsContact C-N 3.3Å; T515-L517 PolarHBondContact O-N 3.42Å; T515-S518 PolarHBondContact O-N 2.71Å; T515-K519 HydrophobicContact CG2-CG 4.09Å; T515-K519 WeakPolarHBondContact O-CB 3.47Å; T515-K519 PolarHBondContact O-N 2.92Å
516	V	93.6	Very high	91.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-55.3	-46.6	173.3	167.7	0	0	0	0	110.9	V504 A507 A508 D512 S520 V539 V542 M543	V504-V516 HydrophobicContact CG1-CG1 4.47Å; A507-V516 HydrophobicContact CB-CG2 3.75Å; A508-V516 HydrophobicContact CB-CG2 4.19Å; D512-V516 WeakPolarHBondContact O-CG2 3.37Å; D512-V516 PolarHBondContact O-N 2.93Å; V516-S520 WeakPolarHBondContact O-CB 3.47Å; V516-S520 PolarHBondContact O-N 3.33Å; V516-S520 PolarHBondContact O-OG 2.97Å; V516-V539 HydrophobicContact CG1-CG1 4.23Å; V516-V539 HydrophobicContact CG1-CG2 4.29Å; V516-V542 HydrophobicContact CG1-CB 3.89Å; V516-V542 HydrophobicContact CG1-CG1 3.68Å; V516-V542 HydrophobicContact CG1-CG2 4.34Å; V516-V542 HydrophobicContact CG2-CG1 4.2Å; V516-M543 HydrophobicContact CG2-SD 4.13Å
517	L	92.4	Very high	90.3	Very high	39 Å²	39	48.2 Å²	48.2	20%	0.204	26%	0.261	C	S	.	.	H	α-helix	trans	-66.4	-44	179.7	-177.5	67	0	0	0	112.1	R513 D514 T515 K521 L526 K535 V539	R513-L517 PolarHBondContact O-N 2.81Å; D514-L517 PolarHBondContact O-N 3.44Å; T515-L517 VanDerWaalsContact C-N 3.3Å; T515-L517 PolarHBondContact O-N 3.42Å; L517-K521 WeakPolarHBondContact O-CG 3.31Å; L517-K521 PolarHBondContact O-N 2.99Å; L517-L526 HydrophobicContact CD1-CD1 3.44Å; L517-L526 VanDerWaalsContact CD1-CD1 3.44Å; L517-K535 HydrophobicContact CD1-CB 4.2Å; L517-K535 HydrophobicContact CD1-CG 4.25Å; L517-V539 HydrophobicContact CB-CG2 4.02Å; L517-V539 HydrophobicContact CD1-CG2 3.98Å
518	S	93.5	Very high	89.6	Confident	61 Å²	61	49.4 Å²	49.4	43%	0.427	27%	0.273	S	S	.	.	H	α-helix	trans	-62.8	-52.7	179.7	-168.4	0	0	0	0	110.9	D514 T515 S520 K521 D522	D514-S518 WeakPolarHBondContact O-CB 3.29Å; D514-S518 PolarHBondContact O-N 2.69Å; T515-S518 PolarHBondContact O-N 2.71Å; S518-S520 VanDerWaalsContact C-N 3.33Å; S518-S520 PolarHBondContact O-N 3.48Å; S518-K521 WeakPolarHBondContact O-CB 3.5Å; S518-K521 PolarHBondContact O-N 2.94Å; S518-D522 PolarHBondContact O-N 3.19Å
519	K	92.6	Very high	89	Confident	53 Å²	53	57.8 Å²	57.8	23%	0.23	31%	0.309	C	S	.	.	H	α-helix	trans	-68.5	-29.9	-178.9	-70.3	-62.8	-177.9	-172.7	0	113.4	D500 Q503 V504 T515 K521 D522 L523	D500-K519 HydrophobicContact CB-CD 4.39Å; D500-K519 IonicContact OD1-NZ 2.7Å; D500-K519 PolarHBondContact OD1-NZ 2.91Å; Q503-K519 HydrophobicContact CB-CG 4.23Å; V504-K519 HydrophobicContact CG2-CB 3.43Å; V504-K519 VanDerWaalsContact CG2-CB 3.43Å; T515-K519 HydrophobicContact CG2-CG 4.09Å; T515-K519 WeakPolarHBondContact O-CB 3.47Å; T515-K519 PolarHBondContact O-N 2.92Å; K519-K521 PolarHBondContact O-N 2.8Å; K519-D522 WeakPolarHBondContact CD-OD2 3.26Å; K519-D522 IonicContact NZ-OD2 3.94Å; K519-D522 PolarHBondContact NZ-OD2 3.44Å; K519-D522 PolarHBondContact O-N 2.78Å; K519-L523 WeakPolarHBondContact O-CB 3.04Å; K519-L523 WeakPolarHBondContact O-CG 3.36Å; K519-L523 PolarHBondContact O-N 3.28Å
520	S	90	Very high	88.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63	-27.2	170.4	-66.2	0	0	0	0	113.2	V516 S518 K524 F525 L526 H538	V516-S520 WeakPolarHBondContact O-CB 3.47Å; V516-S520 PolarHBondContact O-N 3.33Å; V516-S520 PolarHBondContact O-OG 2.97Å; S518-S520 VanDerWaalsContact C-N 3.33Å; S518-S520 PolarHBondContact O-N 3.48Å; S520-K524 PolarHBondContact O-N 3.49Å; S520-F525 WeakPolarHBondContact O-CB 3.32Å; S520-F525 PolarHBondContact O-N 3.39Å; S520-L526 PolarHBondContact O-N 3.27Å; S520-H538 WeakPolarHBondContact CB-NE2 3.47Å; S520-H538 PolarHBondContact OG-NE2 2.97Å
521	K	88.3	Confident	88.2	Confident	80 Å²	80	56.5 Å²	56.5	35%	0.348	30%	0.3	S	S	.	.	H	α-helix	trans	-76.2	-39.5	172.1	-65	168.3	-174.7	172.4	0	111.9	L517 S518 K519 L523 K524 L526	L517-K521 WeakPolarHBondContact O-CG 3.31Å; L517-K521 PolarHBondContact O-N 2.99Å; S518-K521 WeakPolarHBondContact O-CB 3.5Å; S518-K521 PolarHBondContact O-N 2.94Å; K519-K521 PolarHBondContact O-N 2.8Å; K521-L523 VanDerWaalsContact C-N 3.3Å; K521-L523 PolarHBondContact O-N 3.27Å; K521-K524 PolarHBondContact O-N 3.39Å; K521-L526 HydrophobicContact CG-CB 3.91Å; K521-L526 HydrophobicContact CG-CD1 4.39Å
522	D	89	Confident	88	Confident	76 Å²	76	61.6 Å²	61.6	41%	0.406	31%	0.309	S	S	.	.	H	α-helix	trans	-59.9	-45	176.6	-65.2	-15.5	0	0	0	110.3	S518 K519 K524	S518-D522 PolarHBondContact O-N 3.19Å; K519-D522 WeakPolarHBondContact CD-OD2 3.26Å; K519-D522 IonicContact NZ-OD2 3.94Å; K519-D522 PolarHBondContact NZ-OD2 3.44Å; K519-D522 PolarHBondContact O-N 2.78Å; D522-K524 PolarHBondContact O-N 2.93Å; D522-K524 VanDerWaalsContact O-N 3.12Å
523	L	85.9	Confident	87.6	Confident	9 Å²	9	62.5 Å²	62.5	5%	0.047	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-1.2	173.8	-70.5	167.6	0	0	0	114.7	F497 D500 Y501 V504 K519 K521 F525 P582	F497-L523 HydrophobicContact CD2-CD2 3.77Å; F497-L523 HydrophobicContact CE2-CD2 3.9Å; F497-L523 HydrophobicContact CG-CD2 4.26Å; F497-L523 HydrophobicContact CZ-CD2 4.48Å; D500-L523 HydrophobicContact CB-CD1 4.32Å; D500-L523 HydrophobicContact CB-CD2 3.65Å; D500-L523 HydrophobicContact CB-CG 3.75Å; Y501-L523 HydrophobicContact CD2-CD1 4.14Å; V504-L523 HydrophobicContact CG2-CD1 3.67Å; K519-L523 WeakPolarHBondContact O-CB 3.04Å; K519-L523 WeakPolarHBondContact O-CG 3.36Å; K519-L523 PolarHBondContact O-N 3.28Å; K521-L523 VanDerWaalsContact C-N 3.3Å; K521-L523 PolarHBondContact O-N 3.27Å; L523-F525 HydrophobicContact CB-CD1 4.02Å; L523-F525 HydrophobicContact CB-CD2 4.25Å; L523-F525 HydrophobicContact CB-CE1 3.93Å; L523-F525 HydrophobicContact CB-CE2 4.22Å; L523-F525 HydrophobicContact CB-CG 4.17Å; L523-F525 HydrophobicContact CB-CZ 4.06Å; L523-F525 HydrophobicContact CD1-CD2 4.3Å; L523-F525 HydrophobicContact CD1-CE2 3.74Å; L523-F525 HydrophobicContact CD1-CZ 3.93Å; L523-F525 HydrophobicContact CG-CZ 4.49Å; L523-F525 PolarHBondContact O-N 2.74Å; L523-F525 VanDerWaalsContact O-N 3.15Å; L523-P582 WeakPolarHBondContact O-CG 3.33Å
524	K	85.9	Confident	87.2	Confident	139 Å²	139	57.9 Å²	57.9	60%	0.604	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	22.4	-176.8	-48.8	-59.8	175.6	-165.6	0	114.3	S520 K521 D522 L526 P582	S520-K524 PolarHBondContact O-N 3.49Å; K521-K524 PolarHBondContact O-N 3.39Å; D522-K524 PolarHBondContact O-N 2.93Å; D522-K524 VanDerWaalsContact O-N 3.12Å; K524-L526 PolarHBondContact O-N 3.35Å; K524-P582 HydrophobicContact CB-CG 3.96Å
525	F	80.8	Confident	86.8	Confident	13 Å²	13	54 Å²	54	6%	0.057	28%	0.277	C	S	.	.	S	Bend	trans	-68.4	-27.5	167	-60.2	-12.5	0	0	0	110.8	F497 Y501 S520 L523 H538 T585	F497-F525 HydrophobicContact CE2-CE1 4.32Å; F497-F525 HydrophobicContact CZ-CZ 4.41Å; Y501-F525 HydrophobicContact CD2-CE2 4.33Å; Y501-F525 HydrophobicContact CD2-CZ 4.11Å; Y501-F525 HydrophobicContact CE2-CE2 4.22Å; Y501-F525 HydrophobicContact CE2-CZ 4.11Å; S520-F525 WeakPolarHBondContact O-CB 3.32Å; S520-F525 PolarHBondContact O-N 3.39Å; L523-F525 HydrophobicContact CB-CD1 4.02Å; L523-F525 HydrophobicContact CB-CD2 4.25Å; L523-F525 HydrophobicContact CB-CE1 3.93Å; L523-F525 HydrophobicContact CB-CE2 4.22Å; L523-F525 HydrophobicContact CB-CG 4.17Å; L523-F525 HydrophobicContact CB-CZ 4.06Å; L523-F525 HydrophobicContact CD1-CD2 4.3Å; L523-F525 HydrophobicContact CD1-CE2 3.74Å; L523-F525 HydrophobicContact CD1-CZ 3.93Å; L523-F525 HydrophobicContact CG-CZ 4.49Å; L523-F525 PolarHBondContact O-N 2.74Å; L523-F525 VanDerWaalsContact O-N 3.15Å; F525-H538 AromaticContact CD2-CE1 3.91Å; F525-T585 HydrophobicContact CD1-CG2 3.84Å; F525-T585 HydrophobicContact CE1-CG2 3.29Å; F525-T585 WeakPolarHBondContact CE1-OG1 3.32Å; F525-T585 HydrophobicContact CZ-CG2 3.68Å
526	L	81.6	Confident	86.6	Confident	2 Å²	2	55.7 Å²	55.7	1%	0.01	28%	0.284	C	S	.	.			trans	-125.1	134.9	176	-55.6	177.1	0	0	0	109.2	L517 S520 K521 K524 G528 E530 F534 H538	L517-L526 HydrophobicContact CD1-CD1 3.44Å; L517-L526 VanDerWaalsContact CD1-CD1 3.44Å; S520-L526 PolarHBondContact O-N 3.27Å; K521-L526 HydrophobicContact CG-CB 3.91Å; K521-L526 HydrophobicContact CG-CD1 4.39Å; K524-L526 PolarHBondContact O-N 3.35Å; L526-G528 VanDerWaalsContact C-N 3.29Å; L526-E530 HydrophobicContact CD2-CG 4.33Å; L526-F534 HydrophobicContact CD2-CD1 3.91Å; L526-F534 HydrophobicContact CD2-CE1 3.44Å; L526-F534 VanDerWaalsContact CD2-CE1 3.44Å; L526-H538 HydrophobicContact CD2-CB 4.32Å
527	T	78.9	Confident	86.3	Confident	55 Å²	55	56 Å²	56	34%	0.337	29%	0.286	S	S	.	.			trans	-75.7	-21.6	170.4	66.5	0	0	0	0	112.2	F529 E530 T579	T527-F529 PolarHBondContact OG1-N 3.1Å; T527-E530 WeakPolarHBondContact CA-OE1 3.17Å; T527-E530 VanDerWaalsContact CB-OE1 3.29Å; T527-E530 WeakPolarHBondContact CB-OE1 3.07Å; T527-E530 WeakPolarHBondContact CG2-OE1 3.22Å; T527-E530 PolarHBondContact N-OE1 2.75Å; T527-E530 PolarHBondContact N-OE2 3.21Å; T527-E530 VanDerWaalsContact OG1-CD 3.25Å; T527-E530 PolarHBondContact OG1-OE1 3.26Å; T527-E530 PolarHBondContact OG1-OE2 2.98Å; T527-T579 HydrophobicContact CG2-CG2 3.63Å; T527-T579 WeakPolarHBondContact CG2-OG1 3.33Å
528	G	79.2	Confident	86	Confident	26 Å²	26	54.6 Å²	54.6	27%	0.268	28%	0.279	S	S	.	.	S	Bend	trans	97.1	-19.4	-173	0	0	0	0	0	113.4	L526 E530 K535	L526-G528 VanDerWaalsContact C-N 3.29Å; G528-E530 WeakPolarHBondContact CA-OE2 3.34Å; G528-E530 PolarHBondContact N-OE2 3.34Å; G528-K535 WeakPolarHBondContact O-CE 3.39Å; G528-K535 PolarHBondContact O-NZ 3.04Å
529	F	81.9	Confident	85.9	Confident	181 Å²	181	52 Å²	52	79%	0.794	26%	0.261	S	S	*	.			trans	-91.3	2.5	-179	-59.5	-79.1	0	0	0	113.6	T527 L578	T527-F529 PolarHBondContact OG1-N 3.1Å; F529-L578 VanDerWaalsContact C-CD1 3.49Å; F529-L578 HydrophobicContact CB-CD1 3.96Å; F529-L578 WeakPolarHBondContact O-CD1 3.44Å
530	E	82.3	Confident	85.8	Confident	8 Å²	8	52.3 Å²	52.3	4%	0.037	26%	0.263	C	S	.	.			trans	-64.3	152.2	-179.2	-65.4	73.7	-158.1	0	0	112.3	L526 T527 G528 F534 K535 L578	L526-E530 HydrophobicContact CD2-CG 4.33Å; T527-E530 WeakPolarHBondContact CA-OE1 3.17Å; T527-E530 VanDerWaalsContact CB-OE1 3.29Å; T527-E530 WeakPolarHBondContact CB-OE1 3.07Å; T527-E530 WeakPolarHBondContact CG2-OE1 3.22Å; T527-E530 PolarHBondContact N-OE1 2.75Å; T527-E530 PolarHBondContact N-OE2 3.21Å; T527-E530 VanDerWaalsContact OG1-CD 3.25Å; T527-E530 PolarHBondContact OG1-OE1 3.26Å; T527-E530 PolarHBondContact OG1-OE2 2.98Å; G528-E530 WeakPolarHBondContact CA-OE2 3.34Å; G528-E530 PolarHBondContact N-OE2 3.34Å; E530-F534 HydrophobicContact CB-CB 4.19Å; E530-F534 HydrophobicContact CB-CD1 3.74Å; E530-F534 HydrophobicContact CB-CG 4.24Å; E530-F534 HydrophobicContact CG-CD1 3.53Å; E530-F534 HydrophobicContact CG-CE1 3.86Å; E530-F534 HydrophobicContact CG-CG 4.25Å; E530-K535 HydrophobicContact CB-CG 4.11Å; E530-K535 WeakPolarHBondContact O-CE 3.41Å; E530-K535 PolarHBondContact O-NZ 3.48Å; E530-L578 HydrophobicContact CG-CD1 4.17Å; E530-L578 HydrophobicContact CG-CG 4.39Å
531	T	86.3	Confident	85.7	Confident	63 Å²	63	52.9 Å²	52.9	39%	0.387	27%	0.268	S	S	.	.			trans	-59.7	153.5	172	65.3	0	0	0	0	110.6	T533 F534 K535	T531-T533 PolarHBondContact O-N 3.36Å; T531-F534 PolarHBondContact O-N 3.06Å; T531-F534 VanDerWaalsContact O-N 3.13Å; T531-F534 PolarHBondContact OG1-N 2.86Å; T531-K535 PolarHBondContact O-N 2.9Å; T531-K535 VanDerWaalsContact O-N 3.08Å
532	K	87.8	Confident	85.7	Confident	155 Å²	155	50.2 Å²	50.2	67%	0.674	26%	0.258	S	S	*	.	H	α-helix	trans	-55.4	-43.5	175.6	-175.3	178.1	176.9	-176.9	0	111.3	F534 K535 D536	K532-F534 VanDerWaalsContact C-N 3.29Å; K532-F534 PolarHBondContact O-N 2.97Å; K532-K535 PolarHBondContact O-N 3.41Å; K532-D536 WeakPolarHBondContact CE-OD2 3.22Å; K532-D536 WeakPolarHBondContact CG-OD2 3.49Å; K532-D536 WeakPolarHBondContact O-CB 3.25Å; K532-D536 VanDerWaalsContact O-CG 3.25Å; K532-D536 PolarHBondContact O-N 3.49Å
533	T	86.6	Confident	85.8	Confident	79 Å²	79	47.7 Å²	47.7	49%	0.485	24%	0.244	S	C	.	.	H	α-helix	trans	-55	-42.5	177.1	-46.1	0	0	0	0	112.8	T531 A537 I572	T531-T533 PolarHBondContact O-N 3.36Å; T533-A537 VanDerWaalsContact O-CB 3.31Å; T533-A537 WeakPolarHBondContact O-CB 3.37Å; T533-A537 PolarHBondContact O-N 3.38Å; T533-I572 HydrophobicContact CG2-CG2 3.86Å
534	F	85.6	Confident	85.8	Confident	3 Å²	3	47.4 Å²	47.4	1%	0.013	24%	0.242	C	C	.	.	H	α-helix	trans	-71.7	-42.5	178.5	-177	-83	0	0	0	111.9	L526 E530 T531 K532 D536 A537 H538 M573 H576 R577	L526-F534 HydrophobicContact CD2-CD1 3.91Å; L526-F534 HydrophobicContact CD2-CE1 3.44Å; L526-F534 VanDerWaalsContact CD2-CE1 3.44Å; E530-F534 HydrophobicContact CB-CB 4.19Å; E530-F534 HydrophobicContact CB-CD1 3.74Å; E530-F534 HydrophobicContact CB-CG 4.24Å; E530-F534 HydrophobicContact CG-CD1 3.53Å; E530-F534 HydrophobicContact CG-CE1 3.86Å; E530-F534 HydrophobicContact CG-CG 4.25Å; T531-F534 PolarHBondContact O-N 3.06Å; T531-F534 VanDerWaalsContact O-N 3.13Å; T531-F534 PolarHBondContact OG1-N 2.86Å; K532-F534 VanDerWaalsContact C-N 3.29Å; K532-F534 PolarHBondContact O-N 2.97Å; F534-D536 VanDerWaalsContact C-N 3.33Å; F534-D536 PolarHBondContact O-N 3.2Å; F534-A537 PolarHBondContact O-N 3.02Å; F534-H538 HydrophobicContact CE1-CB 4.43Å; F534-H538 WeakPolarHBondContact O-CB 3.4Å; F534-H538 PolarHBondContact O-N 2.86Å; F534-M573 HydrophobicContact CD2-CB 4.48Å; F534-M573 VanDerWaalsContact CE2-CA 3.5Å; F534-M573 HydrophobicContact CE2-CB 3.9Å; F534-M573 HydrophobicContact CE2-CG 4.29Å; F534-M573 WeakPolarHBondContact CE2-O 3.38Å; F534-H576 HydrophobicContact CB-CB 3.86Å; F534-H576 HydrophobicContact CD2-CB 3.81Å; F534-H576 HydrophobicContact CG-CB 4.25Å; F534-R577 HydrophobicContact CE2-CB 3.78Å; F534-R577 HydrophobicContact CE2-CG 4.5Å; F534-R577 HydrophobicContact CZ-CB 4.22Å; F534-R577 HydrophobicContact CZ-CG 4.48Å
535	K	87.3	Confident	85.7	Confident	46 Å²	46	44 Å²	44	20%	0.2	23%	0.231	C	C	.	.	H	α-helix	trans	-58.4	-47.1	176.3	-71.7	169.8	175.5	152.6	0	110.9	L517 G528 E530 T531 K532 H538 V539	L517-K535 HydrophobicContact CD1-CB 4.2Å; L517-K535 HydrophobicContact CD1-CG 4.25Å; G528-K535 WeakPolarHBondContact O-CE 3.39Å; G528-K535 PolarHBondContact O-NZ 3.04Å; E530-K535 HydrophobicContact CB-CG 4.11Å; E530-K535 WeakPolarHBondContact O-CE 3.41Å; E530-K535 PolarHBondContact O-NZ 3.48Å; T531-K535 PolarHBondContact O-N 2.9Å; T531-K535 VanDerWaalsContact O-N 3.08Å; K532-K535 PolarHBondContact O-N 3.41Å; K535-H538 PolarHBondContact O-N 2.78Å; K535-V539 WeakPolarHBondContact O-CG2 3.47Å; K535-V539 PolarHBondContact O-N 3.02Å
536	D	89.3	Confident	86	Confident	81 Å²	81	43.6 Å²	43.6	43%	0.433	23%	0.229	S	C	.	.	H	α-helix	trans	-63.2	-43.7	179.2	-66.5	-14.9	0	0	0	110.9	K532 F534 E540	K532-D536 WeakPolarHBondContact CE-OD2 3.22Å; K532-D536 WeakPolarHBondContact CG-OD2 3.49Å; K532-D536 WeakPolarHBondContact O-CB 3.25Å; K532-D536 VanDerWaalsContact O-CG 3.25Å; K532-D536 PolarHBondContact O-N 3.49Å; F534-D536 VanDerWaalsContact C-N 3.33Å; F534-D536 PolarHBondContact O-N 3.2Å; D536-E540 VanDerWaalsContact O-CB 3.24Å; D536-E540 WeakPolarHBondContact O-CB 3.27Å; D536-E540 PolarHBondContact O-N 3.32Å
537	A	87.2	Confident	86.4	Confident	6 Å²	6	46.5 Å²	46.5	5%	0.05	24%	0.243	C	C	.	.	H	α-helix	trans	-64.6	-41	176.8	0	0	0	0	0	113	T533 F534 E540 A541 L569 I572 M573	T533-A537 VanDerWaalsContact O-CB 3.31Å; T533-A537 WeakPolarHBondContact O-CB 3.37Å; T533-A537 PolarHBondContact O-N 3.38Å; F534-A537 PolarHBondContact O-N 3.02Å; A537-E540 PolarHBondContact O-N 3Å; A537-A541 WeakPolarHBondContact O-CB 3.41Å; A537-A541 PolarHBondContact O-N 2.87Å; A537-L569 HydrophobicContact CB-CD2 4.25Å; A537-I572 HydrophobicContact CB-CB 4.42Å; A537-I572 HydrophobicContact CB-CG2 3.93Å; A537-M573 HydrophobicContact CB-CG 4.47Å
538	H	87.1	Confident	86.9	Confident	10 Å²	10	44 Å²	44	5%	0.046	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-49.2	176.9	176.2	82.8	0	0	0	111.4	S520 F525 L526 F534 K535 E540 A541 V542 M573	S520-H538 WeakPolarHBondContact CB-NE2 3.47Å; S520-H538 PolarHBondContact OG-NE2 2.97Å; F525-H538 AromaticContact CD2-CE1 3.91Å; L526-H538 HydrophobicContact CD2-CB 4.32Å; F534-H538 HydrophobicContact CE1-CB 4.43Å; F534-H538 WeakPolarHBondContact O-CB 3.4Å; F534-H538 PolarHBondContact O-N 2.86Å; K535-H538 PolarHBondContact O-N 2.78Å; H538-E540 VanDerWaalsContact C-N 3.31Å; H538-E540 PolarHBondContact O-N 3.13Å; H538-A541 PolarHBondContact O-N 2.81Å; H538-V542 WeakPolarHBondContact O-CG2 3.24Å; H538-V542 PolarHBondContact O-N 3.43Å; H538-V542 VanDerWaalsContact O-N 3.11Å; H538-M573 HydrophobicContact CB-CE 4.29Å
539	V	91	Very high	87.4	Confident	8 Å²	8	43 Å²	43	5%	0.048	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-45	177.4	174.4	0	0	0	0	109.9	R513 V516 L517 K535 A541 V542 M543	R513-V539 HydrophobicContact CB-CG1 3.89Å; R513-V539 HydrophobicContact CG-CG1 4.03Å; V516-V539 HydrophobicContact CG1-CG1 4.23Å; V516-V539 HydrophobicContact CG1-CG2 4.29Å; L517-V539 HydrophobicContact CB-CG2 4.02Å; L517-V539 HydrophobicContact CD1-CG2 3.98Å; K535-V539 WeakPolarHBondContact O-CG2 3.47Å; K535-V539 PolarHBondContact O-N 3.02Å; V539-A541 VanDerWaalsContact C-N 3.34Å; V539-A541 PolarHBondContact O-N 3.4Å; V539-V542 PolarHBondContact O-N 2.59Å; V539-V542 VanDerWaalsContact O-N 3.16Å; V539-M543 HydrophobicContact CG1-CG 4.12Å; V539-M543 VanDerWaalsContact O-CG 3.27Å; V539-M543 WeakPolarHBondContact O-CG 3.46Å; V539-M543 PolarHBondContact O-N 3.29Å
540	E	90.6	Very high	87.9	Confident	59 Å²	59	36.1 Å²	36.1	28%	0.276	19%	0.192	S	C	.	.	H	α-helix	trans	-59.5	-42.7	177.9	-169.7	61.6	-161.4	0	0	112.5	R513 D536 A537 H538 V542 M543 I544 R565 L569	R513-E540 IonicContact CZ-OE2 2.78Å; R513-E540 VanDerWaalsContact CZ-OE2 3.28Å; R513-E540 IonicContact NH1-OE2 3.06Å; R513-E540 PolarHBondContact NH1-OE2 3.15Å; R513-E540 IonicContact NH2-OE2 3.94Å; R513-E540 PolarHBondContact NH2-OE2 2.87Å; D536-E540 VanDerWaalsContact O-CB 3.24Å; D536-E540 WeakPolarHBondContact O-CB 3.27Å; D536-E540 PolarHBondContact O-N 3.32Å; A537-E540 PolarHBondContact O-N 3Å; H538-E540 VanDerWaalsContact C-N 3.31Å; H538-E540 PolarHBondContact O-N 3.13Å; E540-V542 VanDerWaalsContact C-N 3.31Å; E540-V542 PolarHBondContact O-N 3.43Å; E540-M543 PolarHBondContact O-N 3.15Å; E540-I544 HydrophobicContact CG-CD1 4.07Å; E540-I544 WeakPolarHBondContact O-CD1 3.46Å; E540-I544 VanDerWaalsContact O-CG1 3.22Å; E540-I544 WeakPolarHBondContact O-CG1 3.18Å; E540-I544 PolarHBondContact O-N 3.39Å; E540-R565 IonicContact OE1-NH2 3.87Å; E540-L569 HydrophobicContact CB-CD1 4.01Å; E540-L569 HydrophobicContact CG-CD1 3.95Å
541	A	86.3	Confident	88.3	Confident	12 Å²	12	37.5 Å²	37.5	10%	0.099	20%	0.203	C	C	.	.	H	α-helix	trans	-60	-41.6	176.2	0	0	0	0	0	112.1	A537 H538 V539 L545 L569	A537-A541 WeakPolarHBondContact O-CB 3.41Å; A537-A541 PolarHBondContact O-N 2.87Å; H538-A541 PolarHBondContact O-N 2.81Å; V539-A541 VanDerWaalsContact C-N 3.34Å; V539-A541 PolarHBondContact O-N 3.4Å; A541-L545 PolarHBondContact O-N 3.39Å; A541-L569 HydrophobicContact CB-CD1 3.88Å
542	V	88.8	Confident	88.4	Confident	24 Å²	24	39.5 Å²	39.5	15%	0.145	22%	0.215	C	C	.	.	H	α-helix	trans	-68.5	-41	176.7	175.9	0	0	0	0	111.2	V504 A508 V516 H538 V539 E540 I544 L545 G546	V504-V542 HydrophobicContact CG1-CG1 3.65Å; A508-V542 HydrophobicContact CB-CG1 3.91Å; V516-V542 HydrophobicContact CG1-CB 3.89Å; V516-V542 HydrophobicContact CG1-CG1 3.68Å; V516-V542 HydrophobicContact CG1-CG2 4.34Å; V516-V542 HydrophobicContact CG2-CG1 4.2Å; H538-V542 WeakPolarHBondContact O-CG2 3.24Å; H538-V542 PolarHBondContact O-N 3.43Å; H538-V542 VanDerWaalsContact O-N 3.11Å; V539-V542 PolarHBondContact O-N 2.59Å; V539-V542 VanDerWaalsContact O-N 3.16Å; E540-V542 VanDerWaalsContact C-N 3.31Å; E540-V542 PolarHBondContact O-N 3.43Å; V542-I544 PolarHBondContact O-N 2.76Å; V542-L545 PolarHBondContact O-N 3.12Å; V542-G546 PolarHBondContact O-N 3.39Å
543	M	91.2	Very high	88.6	Confident	22 Å²	22	38.4 Å²	38.4	11%	0.108	21%	0.213	C	C	.	.	H	α-helix	trans	-61.9	-43.3	176.7	-66.6	-46.3	-61.5	0	0	111.8	A508 R513 V516 V539 E540 L545 G546 E547	A508-M543 HydrophobicContact CB-SD 4.24Å; A508-M543 VanDerWaalsContact O-CE 3.29Å; A508-M543 WeakPolarHBondContact O-CE 3.46Å; R513-M543 HydrophobicContact CG-CE 4.5Å; R513-M543 HydrophobicContact CG-CG 4.18Å; R513-M543 HydrophobicContact CG-SD 4.04Å; V516-M543 HydrophobicContact CG2-SD 4.13Å; V539-M543 HydrophobicContact CG1-CG 4.12Å; V539-M543 VanDerWaalsContact O-CG 3.27Å; V539-M543 WeakPolarHBondContact O-CG 3.46Å; V539-M543 PolarHBondContact O-N 3.29Å; E540-M543 PolarHBondContact O-N 3.15Å; M543-L545 VanDerWaalsContact C-N 3.29Å; M543-L545 PolarHBondContact O-N 3.3Å; M543-G546 CarbonylContact O-C 3.54Å; M543-G546 WeakPolarHBondContact O-CA 3.46Å; M543-G546 PolarHBondContact O-N 3.12Å; M543-E547 PolarHBondContact O-N 2.97Å
544	I	86.8	Confident	88.8	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.015	21%	0.209	C	C	.	.	H	α-helix	trans	-57.1	-43.1	176.5	-70.3	160	0	0	0	111.2	E540 V542 G546 E547 T562 R565 I566 L569	E540-I544 HydrophobicContact CG-CD1 4.07Å; E540-I544 WeakPolarHBondContact O-CD1 3.46Å; E540-I544 VanDerWaalsContact O-CG1 3.22Å; E540-I544 WeakPolarHBondContact O-CG1 3.18Å; E540-I544 PolarHBondContact O-N 3.39Å; V542-I544 PolarHBondContact O-N 2.76Å; I544-G546 VanDerWaalsContact C-N 3.32Å; I544-E547 WeakPolarHBondContact O-CB 3.47Å; I544-E547 PolarHBondContact O-N 3.23Å; I544-T562 HydrophobicContact CG2-CG2 3.61Å; I544-R565 HydrophobicContact CD1-CB 3.83Å; I544-R565 HydrophobicContact CG1-CB 4.49Å; I544-R565 HydrophobicContact CG2-CB 4.4Å; I544-I566 HydrophobicContact CB-CG1 4.41Å; I544-I566 HydrophobicContact CG2-CD1 4.16Å; I544-I566 HydrophobicContact CG2-CG1 3.83Å; I544-L569 HydrophobicContact CD1-CD1 3.68Å
545	L	82.6	Confident	89.1	Confident	69 Å²	69	37.8 Å²	37.8	36%	0.361	21%	0.209	S	C	.	.	H	α-helix	trans	-68.6	-33.7	176.5	-69.9	171.3	0	0	0	112	A541 V542 M543 E547 I566 F596	A541-L545 PolarHBondContact O-N 3.39Å; V542-L545 PolarHBondContact O-N 3.12Å; M543-L545 VanDerWaalsContact C-N 3.29Å; M543-L545 PolarHBondContact O-N 3.3Å; L545-E547 VanDerWaalsContact C-N 3.3Å; L545-E547 PolarHBondContact O-N 2.84Å; L545-I566 HydrophobicContact CD1-CD1 4.48Å; L545-I566 HydrophobicContact CD2-CD1 3.47Å; L545-I566 VanDerWaalsContact CD2-CD1 3.47Å; L545-I566 HydrophobicContact CG-CD1 3.81Å; L545-F596 HydrophobicContact CD2-CD1 4.42Å; L545-F596 HydrophobicContact CD2-CE1 4.34Å
546	G	88.4	Confident	89.2	Confident	3 Å²	3	37.9 Å²	37.9	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-67.4	-23.3	175.8	0	0	0	0	0	114.5	V542 M543 I544 A548 F549 A550	V542-G546 PolarHBondContact O-N 3.39Å; M543-G546 CarbonylContact O-C 3.54Å; M543-G546 WeakPolarHBondContact O-CA 3.46Å; M543-G546 PolarHBondContact O-N 3.12Å; I544-G546 VanDerWaalsContact C-N 3.32Å; G546-A548 PolarHBondContact O-N 3.48Å; G546-F549 CarbonylContact O-C 3.57Å; G546-F549 WeakPolarHBondContact O-CA 3.45Å; G546-F549 PolarHBondContact O-N 3.19Å; G546-A550 PolarHBondContact O-N 3.1Å
547	E	89.7	Confident	89.1	Confident	64 Å²	64	34.2 Å²	34.2	30%	0.299	19%	0.193	S	C	.	.	H	α-helix	trans	-56.8	-37.9	-179.6	-72.1	175.7	-173.4	0	0	112.8	M543 I544 L545 F549 A550 S551 F555 R565	M543-E547 PolarHBondContact O-N 2.97Å; I544-E547 WeakPolarHBondContact O-CB 3.47Å; I544-E547 PolarHBondContact O-N 3.23Å; L545-E547 VanDerWaalsContact C-N 3.3Å; L545-E547 PolarHBondContact O-N 2.84Å; E547-F549 VanDerWaalsContact C-N 3.28Å; E547-F549 PolarHBondContact O-N 3.3Å; E547-A550 PolarHBondContact O-N 3.17Å; E547-S551 PolarHBondContact O-N 3.45Å; E547-S551 VanDerWaalsContact O-N 3.09Å; E547-F555 HydrophobicContact CB-CE2 4.42Å; E547-R565 IonicContact OE1-CZ 3.44Å; E547-R565 VanDerWaalsContact OE1-CZ 3.26Å; E547-R565 IonicContact OE1-NH1 2.84Å; E547-R565 PolarHBondContact OE1-NH1 3.32Å; E547-R565 IonicContact OE1-NH2 3.84Å; E547-R565 PolarHBondContact OE1-NH2 3.29Å; E547-R565 IonicContact OE2-CZ 2.92Å; E547-R565 IonicContact OE2-NH1 2.8Å; E547-R565 PolarHBondContact OE2-NH1 2.92Å; E547-R565 IonicContact OE2-NH2 3.28Å
548	A	88.9	Confident	88.8	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-58.8	-42.4	175.5	0	0	0	0	0	111.5	G546 F555 F557 F596 C608	G546-A548 PolarHBondContact O-N 3.48Å; A548-F555 VanDerWaalsContact CA-CD2 3.48Å; A548-F555 HydrophobicContact CB-CD1 4.14Å; A548-F555 HydrophobicContact CB-CD2 4.05Å; A548-F555 HydrophobicContact CB-CE1 4.05Å; A548-F555 HydrophobicContact CB-CE2 3.93Å; A548-F555 HydrophobicContact CB-CG 4.11Å; A548-F555 HydrophobicContact CB-CZ 3.9Å; A548-F557 HydrophobicContact CB-CZ 4.46Å; A548-F596 HydrophobicContact CB-CE1 3.85Å; A548-F596 HydrophobicContact CB-CZ 4.06Å; A548-C608 WeakPolarHBondContact O-CB 3.31Å
549	F	90.7	Very high	88.1	Confident	6 Å²	6	40.6 Å²	40.6	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-82.9	-13.7	179.7	-55.9	-59.6	0	0	0	113.5	L451 L455 V505 G546 E547 M592 F596 C608 R609 M611 F612	L451-F549 HydrophobicContact CD2-CE1 4.34Å; L455-F549 HydrophobicContact CD1-CE1 4.39Å; L455-F549 HydrophobicContact CD2-CZ 4.43Å; V505-F549 HydrophobicContact CG1-CD2 3.9Å; V505-F549 HydrophobicContact CG1-CE2 4.12Å; G546-F549 CarbonylContact O-C 3.57Å; G546-F549 WeakPolarHBondContact O-CA 3.45Å; G546-F549 PolarHBondContact O-N 3.19Å; E547-F549 VanDerWaalsContact C-N 3.28Å; E547-F549 PolarHBondContact O-N 3.3Å; F549-M592 HydrophobicContact CE2-CE 4.5Å; F549-M592 HydrophobicContact CZ-CE 4.39Å; F549-F596 HydrophobicContact CE2-CZ 4.07Å; F549-F596 HydrophobicContact CZ-CE2 4.27Å; F549-F596 HydrophobicContact CZ-CZ 4.11Å; F549-C608 HydrophobicContact CD1-CB 4.06Å; F549-C608 HydrophobicContact CE1-CB 4.39Å; F549-R609 WeakPolarHBondContact O-CA 3.34Å; F549-R609 VanDerWaalsContact O-CB 3.23Å; F549-R609 WeakPolarHBondContact O-CB 3.38Å; F549-R609 WeakPolarHBondContact O-CG 3.32Å; F549-M611 HydrophobicContact CE1-CE 4.36Å; F549-F612 HydrophobicContact CB-CB 4.25Å; F549-F612 HydrophobicContact CB-CD1 4.13Å; F549-F612 HydrophobicContact CB-CG 4.23Å; F549-F612 HydrophobicContact CD1-CB 3.54Å; F549-F612 HydrophobicContact CD1-CG 4.06Å; F549-F612 HydrophobicContact CE1-CB 4.17Å; F549-F612 HydrophobicContact CG-CB 4.1Å; F549-F612 HydrophobicContact CG-CG 4.16Å
550	A	91.4	Very high	86.9	Confident	36 Å²	36	43.4 Å²	43.4	30%	0.298	25%	0.252	S	S	.	.	H	α-helix	trans	-85.7	-30.7	176.9	0	0	0	0	0	113	S509 G546 E547 T552 R609	S509-A550 WeakPolarHBondContact O-CB 3.33Å; G546-A550 PolarHBondContact O-N 3.1Å; E547-A550 PolarHBondContact O-N 3.17Å; A550-T552 PolarHBondContact O-N 3.08Å; A550-R609 PolarHBondContact O-NH1 2.89Å
551	S	90.7	Very high	85.8	Confident	38 Å²	38	43.3 Å²	43.3	27%	0.266	26%	0.258	S	S	.	.			trans	-60.9	127.9	-174.7	-174.8	0	0	0	0	112.4	E547 E553 R609	E547-S551 PolarHBondContact O-N 3.45Å; E547-S551 VanDerWaalsContact O-N 3.09Å; S551-E553 WeakPolarHBondContact CB-O 3.34Å; S551-E553 PolarHBondContact OG-N 3.24Å; S551-E553 PolarHBondContact OG-O 3.4Å; S551-R609 WeakPolarHBondContact O-CB 3.44Å
552	T	89.2	Confident	85.1	Confident	104 Å²	104	43.3 Å²	43.3	64%	0.638	26%	0.256	S	S	*	.	S	Bend	trans	-75.2	-29.7	170.6	49.4	0	0	0	0	112.4	A550	A550-T552 PolarHBondContact O-N 3.08Å
553	E	91.3	Very high	84.1	Confident	133 Å²	133	44.2 Å²	44.2	62%	0.621	26%	0.262	S	S	*	.	S	Bend	trans	-89.9	156.9	177.3	-64	-57.9	135.5	0	0	110.6	S551 F555	S551-E553 WeakPolarHBondContact CB-O 3.34Å; S551-E553 PolarHBondContact OG-N 3.24Å; S551-E553 PolarHBondContact OG-O 3.4Å; E553-F555 PolarHBondContact O-N 3.38Å
554	P	91.3	Very high	83.1	Confident	61 Å²	61	48.8 Å²	48.8	40%	0.396	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-48.2	126.6	169.3	-29.1	37.6	0	0	0	111.4	D556 N605	P554-D556 PolarHBondContact O-N 3.08Å; P554-N605 VanDerWaalsContact C-OD1 3.24Å; P554-N605 WeakPolarHBondContact CB-OD1 3.47Å; P554-N605 PolarHBondContact O-OD1 3.34Å
555	F	91.1	Very high	82.7	Confident	7 Å²	7	52.1 Å²	52.1	3%	0.031	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	116.7	-178.1	-172	-90	0	0	0	109.1	E547 A548 E553 F557 Q560 N605 I606	E547-F555 HydrophobicContact CB-CE2 4.42Å; A548-F555 VanDerWaalsContact CA-CD2 3.48Å; A548-F555 HydrophobicContact CB-CD1 4.14Å; A548-F555 HydrophobicContact CB-CD2 4.05Å; A548-F555 HydrophobicContact CB-CE1 4.05Å; A548-F555 HydrophobicContact CB-CE2 3.93Å; A548-F555 HydrophobicContact CB-CG 4.11Å; A548-F555 HydrophobicContact CB-CZ 3.9Å; E553-F555 PolarHBondContact O-N 3.38Å; F555-F557 HydrophobicContact CB-CE2 4.27Å; F555-F557 AromaticContact CD1-CD1 3.98Å; F555-F557 HydrophobicContact CD1-CD1 3.98Å; F555-F557 AromaticContact CD1-CD2 3.66Å; F555-F557 HydrophobicContact CD1-CD2 3.66Å; F555-F557 AromaticContact CD1-CE1 3.85Å; F555-F557 HydrophobicContact CD1-CE1 3.85Å; F555-F557 AromaticContact CD1-CE2 3.49Å; F555-F557 HydrophobicContact CD1-CE2 3.49Å; F555-F557 VanDerWaalsContact CD1-CE2 3.49Å; F555-F557 AromaticContact CD1-CG 3.89Å; F555-F557 HydrophobicContact CD1-CG 3.89Å; F555-F557 AromaticContact CD1-CZ 3.6Å; F555-F557 HydrophobicContact CD1-CZ 3.6Å; F555-F557 AromaticContact CE1-CD1 3.83Å; F555-F557 HydrophobicContact CE1-CD1 3.83Å; F555-F557 HydrophobicContact CE1-CD2 4.33Å; F555-F557 AromaticContact CE1-CE1 3.78Å; F555-F557 HydrophobicContact CE1-CE1 3.78Å; F555-F557 HydrophobicContact CE1-CE2 4.27Å; F555-F557 HydrophobicContact CE1-CG 4.11Å; F555-F557 HydrophobicContact CE1-CZ 4Å; F555-F557 HydrophobicContact CG-CE2 4.33Å; F555-F557 VanDerWaalsContact O-CD2 3.32Å; F555-F557 WeakPolarHBondContact O-CD2 3.34Å; F555-F557 PolarHBondContact O-N 2.82Å; F555-Q560 HydrophobicContact CZ-CG 4.46Å; F555-N605 WeakPolarHBondContact O-CA 3.2Å; F555-I606 PolarHBondContact N-O 3.48Å; F555-I606 PolarHBondContact O-N 2.87Å
556	D	90.6	Very high	82.2	Confident	48 Å²	48	51 Å²	51	26%	0.257	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	106.4	176.4	-178.1	-1.5	0	0	0	110.5	P554 G558 T559 Q560	P554-D556 PolarHBondContact O-N 3.08Å; D556-G558 VanDerWaalsContact C-N 3.29Å; D556-G558 WeakPolarHBondContact OD1-CA 3.34Å; D556-G558 PolarHBondContact OD1-N 2.97Å; D556-T559 PolarHBondContact OD1-N 2.88Å; D556-T559 WeakPolarHBondContact OD2-CB 3.24Å; D556-T559 WeakPolarHBondContact OD2-CG2 3.42Å; D556-T559 PolarHBondContact OD2-OG1 3.47Å; D556-Q560 WeakPolarHBondContact O-CG 3.32Å; D556-Q560 PolarHBondContact O-NE2 3.31Å; D556-Q560 VanDerWaalsContact O-NE2 3.14Å
557	F	87.3	Confident	81.2	Confident	5 Å²	5	52.8 Å²	52.8	2%	0.022	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-14	177.7	-72.8	-93	0	0	0	113.3	L451 A548 F555 F596 C599 S600 A604 I606	L451-F557 HydrophobicContact CD2-CZ 4.21Å; A548-F557 HydrophobicContact CB-CZ 4.46Å; F555-F557 HydrophobicContact CB-CE2 4.27Å; F555-F557 AromaticContact CD1-CD1 3.98Å; F555-F557 HydrophobicContact CD1-CD1 3.98Å; F555-F557 AromaticContact CD1-CD2 3.66Å; F555-F557 HydrophobicContact CD1-CD2 3.66Å; F555-F557 AromaticContact CD1-CE1 3.85Å; F555-F557 HydrophobicContact CD1-CE1 3.85Å; F555-F557 AromaticContact CD1-CE2 3.49Å; F555-F557 HydrophobicContact CD1-CE2 3.49Å; F555-F557 VanDerWaalsContact CD1-CE2 3.49Å; F555-F557 AromaticContact CD1-CG 3.89Å; F555-F557 HydrophobicContact CD1-CG 3.89Å; F555-F557 AromaticContact CD1-CZ 3.6Å; F555-F557 HydrophobicContact CD1-CZ 3.6Å; F555-F557 AromaticContact CE1-CD1 3.83Å; F555-F557 HydrophobicContact CE1-CD1 3.83Å; F555-F557 HydrophobicContact CE1-CD2 4.33Å; F555-F557 AromaticContact CE1-CE1 3.78Å; F555-F557 HydrophobicContact CE1-CE1 3.78Å; F555-F557 HydrophobicContact CE1-CE2 4.27Å; F555-F557 HydrophobicContact CE1-CG 4.11Å; F555-F557 HydrophobicContact CE1-CZ 4Å; F555-F557 HydrophobicContact CG-CE2 4.33Å; F555-F557 VanDerWaalsContact O-CD2 3.32Å; F555-F557 WeakPolarHBondContact O-CD2 3.34Å; F555-F557 PolarHBondContact O-N 2.82Å; F557-F596 HydrophobicContact CD1-CD1 4.43Å; F557-F596 AromaticContact CE1-CD1 3.69Å; F557-F596 HydrophobicContact CE1-CD1 3.69Å; F557-F596 AromaticContact CE1-CE1 3.98Å; F557-F596 HydrophobicContact CE1-CE1 3.98Å; F557-F596 HydrophobicContact CE1-CG 4.09Å; F557-C599 HydrophobicContact CB-CB 3.95Å; F557-C599 HydrophobicContact CD1-CB 3.59Å; F557-C599 HydrophobicContact CD2-CB 3.91Å; F557-C599 HydrophobicContact CE1-CB 4.01Å; F557-C599 HydrophobicContact CE2-CB 4.31Å; F557-C599 HydrophobicContact CG-CB 3.54Å; F557-C599 HydrophobicContact CZ-CB 4.35Å; F557-S600 WeakPolarHBondContact O-CA 3.44Å; F557-S600 VanDerWaalsContact O-CB 3.31Å; F557-S600 WeakPolarHBondContact O-CB 3.49Å; F557-S600 PolarHBondContact O-OG 3.44Å; F557-A604 HydrophobicContact CD2-CB 4.45Å; F557-A604 PolarHBondContact N-O 2.66Å; F557-I606 HydrophobicContact CD2-CD1 4.49Å; F557-I606 HydrophobicContact CD2-CG1 4.06Å; F557-I606 HydrophobicContact CE2-CD1 3.8Å; F557-I606 HydrophobicContact CE2-CG1 3.53Å
558	G	79.1	Confident	80.4	Confident	38 Å²	38	54.9 Å²	54.9	39%	0.392	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-25.5	-176.1	0	0	0	0	0	114.4	D556	D556-G558 VanDerWaalsContact C-N 3.29Å; D556-G558 WeakPolarHBondContact OD1-CA 3.34Å; D556-G558 PolarHBondContact OD1-N 2.97Å
559	T	72.1	Confident	79.7	Confident	111 Å²	111	56 Å²	56	68%	0.681	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-13.5	-177.6	55.5	0	0	0	0	113.9	D556	D556-T559 PolarHBondContact OD1-N 2.88Å; D556-T559 WeakPolarHBondContact OD2-CB 3.24Å; D556-T559 WeakPolarHBondContact OD2-CG2 3.42Å; D556-T559 PolarHBondContact OD2-OG1 3.47Å
560	Q	66.1	Low	78.8	Confident	68 Å²	68	57.3 Å²	57.3	32%	0.318	33%	0.325	S	S	.	.			trans	-84.2	144.8	-172	-74.5	-168.4	52.3	0	0	114.5	F555 D556 T562	F555-Q560 HydrophobicContact CZ-CG 4.46Å; D556-Q560 WeakPolarHBondContact O-CG 3.32Å; D556-Q560 PolarHBondContact O-NE2 3.31Å; D556-Q560 VanDerWaalsContact O-NE2 3.14Å; Q560-T562 VanDerWaalsContact C-N 3.27Å; Q560-T562 PolarHBondContact O-N 3.04Å
561	S	67.4	Low	77.6	Confident	57 Å²	57	59.1 Å²	59.1	40%	0.399	33%	0.333	S	S	.	.			trans	-88	16.2	178.7	62.3	0	0	0	0	113.1	T563 Q564 R565	S561-T563 VanDerWaalsContact C-N 3.25Å; S561-T563 PolarHBondContact O-N 3.35Å; S561-Q564 CarbonylContact O-C 3.54Å; S561-Q564 WeakPolarHBondContact O-CA 3.33Å; S561-Q564 WeakPolarHBondContact O-CB 3.42Å; S561-Q564 PolarHBondContact O-N 3.04Å; S561-R565 WeakPolarHBondContact O-CG 3.16Å; S561-R565 PolarHBondContact O-N 3.11Å; S561-R565 WeakPolarHBondContact OG-CD 3.18Å
562	T	71.6	Confident	76.7	Confident	12 Å²	12	60.1 Å²	60.1	7%	0.074	34%	0.335	C	S	.	.	H	α-helix	trans	-47.4	-49.2	-178.6	-49.2	0	0	0	0	111.5	I544 Q560 Q564 R565 I566	I544-T562 HydrophobicContact CG2-CG2 3.61Å; Q560-T562 VanDerWaalsContact C-N 3.27Å; Q560-T562 PolarHBondContact O-N 3.04Å; T562-Q564 PolarHBondContact O-N 3.16Å; T562-R565 PolarHBondContact O-N 2.97Å; T562-I566 HydrophobicContact CG2-CD1 4.19Å; T562-I566 WeakPolarHBondContact O-CG1 3.49Å; T562-I566 PolarHBondContact O-N 3.15Å
563	T	68.6	Low	75.8	Confident	43 Å²	43	56.6 Å²	56.6	26%	0.264	31%	0.312	S	S	.	.	H	α-helix	trans	-58.6	-49.2	176.5	-53.1	0	0	0	0	112	D264 S561 R565 I566 Q567 L597	D264-T563 WeakPolarHBondContact OD2-CG2 3.32Å; S561-T563 VanDerWaalsContact C-N 3.25Å; S561-T563 PolarHBondContact O-N 3.35Å; T563-R565 VanDerWaalsContact C-N 3.35Å; T563-R565 PolarHBondContact O-N 3.17Å; T563-I566 PolarHBondContact O-N 3.13Å; T563-Q567 WeakPolarHBondContact O-CB 3.4Å; T563-Q567 WeakPolarHBondContact O-CG 3.22Å; T563-Q567 PolarHBondContact O-N 3.41Å; T563-L597 HydrophobicContact CG2-CD2 4.24Å
564	Q	70.4	Confident	74.6	Confident	118 Å²	118	54.1 Å²	54.1	55%	0.551	30%	0.302	S	S	*	.	H	α-helix	trans	-64.4	-38.5	-179.9	-170.5	179.8	21	0	0	112.1	S561 T562 Q567 N568	S561-Q564 CarbonylContact O-C 3.54Å; S561-Q564 WeakPolarHBondContact O-CA 3.33Å; S561-Q564 WeakPolarHBondContact O-CB 3.42Å; S561-Q564 PolarHBondContact O-N 3.04Å; T562-Q564 PolarHBondContact O-N 3.16Å; Q564-Q567 WeakPolarHBondContact O-CB 3.37Å; Q564-Q567 PolarHBondContact O-N 3.2Å; Q564-N568 VanDerWaalsContact O-CG 3.26Å; Q564-N568 PolarHBondContact O-N 3.28Å; Q564-N568 VanDerWaalsContact O-N 3.08Å; Q564-N568 PolarHBondContact O-ND2 3.11Å
565	R	78.4	Confident	73.6	Confident	72 Å²	72	61.3 Å²	61.3	27%	0.272	32%	0.321	S	S	.	.	H	α-helix	trans	-65.8	-44.1	178	-70.4	171.8	64.9	-163.5	1.1	111.4	E540 I544 E547 S561 T562 T563 Q567 N568	E540-R565 IonicContact OE1-NH2 3.87Å; I544-R565 HydrophobicContact CD1-CB 3.83Å; I544-R565 HydrophobicContact CG1-CB 4.49Å; I544-R565 HydrophobicContact CG2-CB 4.4Å; E547-R565 IonicContact OE1-CZ 3.44Å; E547-R565 VanDerWaalsContact OE1-CZ 3.26Å; E547-R565 IonicContact OE1-NH1 2.84Å; E547-R565 PolarHBondContact OE1-NH1 3.32Å; E547-R565 IonicContact OE1-NH2 3.84Å; E547-R565 PolarHBondContact OE1-NH2 3.29Å; E547-R565 IonicContact OE2-CZ 2.92Å; E547-R565 IonicContact OE2-NH1 2.8Å; E547-R565 PolarHBondContact OE2-NH1 2.92Å; E547-R565 IonicContact OE2-NH2 3.28Å; S561-R565 WeakPolarHBondContact O-CG 3.16Å; S561-R565 PolarHBondContact O-N 3.11Å; S561-R565 WeakPolarHBondContact OG-CD 3.18Å; T562-R565 PolarHBondContact O-N 2.97Å; T563-R565 VanDerWaalsContact C-N 3.35Å; T563-R565 PolarHBondContact O-N 3.17Å; R565-Q567 VanDerWaalsContact C-N 3.35Å; R565-N568 PolarHBondContact O-N 3.08Å
566	I	72.9	Confident	72.6	Confident	46 Å²	46	64 Å²	64	24%	0.236	33%	0.334	C	S	.	.	H	α-helix	trans	-63	-44.1	174.2	-67.2	171	0	0	0	110.2	I544 L545 T562 T563 N568 L569 V570	I544-I566 HydrophobicContact CB-CG1 4.41Å; I544-I566 HydrophobicContact CG2-CD1 4.16Å; I544-I566 HydrophobicContact CG2-CG1 3.83Å; L545-I566 HydrophobicContact CD1-CD1 4.48Å; L545-I566 HydrophobicContact CD2-CD1 3.47Å; L545-I566 VanDerWaalsContact CD2-CD1 3.47Å; L545-I566 HydrophobicContact CG-CD1 3.81Å; T562-I566 HydrophobicContact CG2-CD1 4.19Å; T562-I566 WeakPolarHBondContact O-CG1 3.49Å; T562-I566 PolarHBondContact O-N 3.15Å; T563-I566 PolarHBondContact O-N 3.13Å; I566-N568 VanDerWaalsContact C-N 3.27Å; I566-N568 PolarHBondContact O-N 3.3Å; I566-L569 WeakPolarHBondContact O-CB 3.48Å; I566-L569 PolarHBondContact O-N 2.85Å; I566-V570 HydrophobicContact CG2-CG2 4.43Å; I566-V570 WeakPolarHBondContact O-CG2 3.45Å; I566-V570 PolarHBondContact O-N 3.08Å
567	Q	66.3	Low	71.6	Confident	40 Å²	40	65.9 Å²	65.9	19%	0.187	34%	0.338	C	S	.	.	H	α-helix	trans	-56.3	-39.3	178.4	-75.5	171.7	-6.6	0	0	112.8	S266 T563 Q564 R565 L569 V570 P571	S266-Q567 WeakPolarHBondContact OG-CG 3.49Å; T563-Q567 WeakPolarHBondContact O-CB 3.4Å; T563-Q567 WeakPolarHBondContact O-CG 3.22Å; T563-Q567 PolarHBondContact O-N 3.41Å; Q564-Q567 WeakPolarHBondContact O-CB 3.37Å; Q564-Q567 PolarHBondContact O-N 3.2Å; R565-Q567 VanDerWaalsContact C-N 3.35Å; Q567-L569 PolarHBondContact O-N 2.96Å; Q567-V570 PolarHBondContact O-N 3.33Å; Q567-P571 WeakPolarHBondContact O-CD 3.44Å
568	N	73.8	Confident	70.7	Confident	108 Å²	108	70.5 Å²	70.5	58%	0.578	36%	0.362	S	S	*	.	H	α-helix	trans	-64	-23.9	177.7	-68	-21.3	0	0	0	113.2	Q564 R565 I566	Q564-N568 VanDerWaalsContact O-CG 3.26Å; Q564-N568 PolarHBondContact O-N 3.28Å; Q564-N568 VanDerWaalsContact O-N 3.08Å; Q564-N568 PolarHBondContact O-ND2 3.11Å; R565-N568 PolarHBondContact O-N 3.08Å; I566-N568 VanDerWaalsContact C-N 3.27Å; I566-N568 PolarHBondContact O-N 3.3Å
569	L	74.2	Confident	70.1	Confident	25 Å²	25	71.5 Å²	71.5	13%	0.131	36%	0.361	C	S	.	.	H	α-helix	trans	-89.1	-26.5	-178.8	-61.7	173.4	0	0	0	112.8	A537 E540 A541 I544 I566 Q567 I572 M573	A537-L569 HydrophobicContact CB-CD2 4.25Å; E540-L569 HydrophobicContact CB-CD1 4.01Å; E540-L569 HydrophobicContact CG-CD1 3.95Å; A541-L569 HydrophobicContact CB-CD1 3.88Å; I544-L569 HydrophobicContact CD1-CD1 3.68Å; I566-L569 WeakPolarHBondContact O-CB 3.48Å; I566-L569 PolarHBondContact O-N 2.85Å; Q567-L569 PolarHBondContact O-N 2.96Å; L569-I572 WeakPolarHBondContact O-CB 3.43Å; L569-I572 PolarHBondContact O-N 3.2Å; L569-I572 VanDerWaalsContact O-N 3.16Å; L569-M573 WeakPolarHBondContact O-CG 3.38Å; L569-M573 PolarHBondContact O-N 2.76Å
570	V	70.3	Confident	69.8	Low	34 Å²	34	69.4 Å²	69.4	21%	0.206	35%	0.349	C	S	.	.	H	α-helix	trans	-61.3	-42.4	-174.1	-178.7	0	0	0	0	113.9	F267 I566 Q567 I572 M573 L574	F267-V570 HydrophobicContact CE1-CB 4.16Å; F267-V570 HydrophobicContact CE1-CG1 3.55Å; F267-V570 HydrophobicContact CE2-CG1 4.22Å; F267-V570 HydrophobicContact CZ-CB 3.53Å; F267-V570 HydrophobicContact CZ-CG1 3.19Å; F267-V570 HydrophobicContact CZ-CG2 4.01Å; I566-V570 HydrophobicContact CG2-CG2 4.43Å; I566-V570 WeakPolarHBondContact O-CG2 3.45Å; I566-V570 PolarHBondContact O-N 3.08Å; Q567-V570 PolarHBondContact O-N 3.33Å; V570-I572 PolarHBondContact O-N 2.8Å; V570-M573 WeakPolarHBondContact O-CB 3.5Å; V570-M573 PolarHBondContact O-N 2.84Å; V570-M573 VanDerWaalsContact O-N 3.08Å; V570-L574 HydrophobicContact CG1-CD1 3.87Å; V570-L574 HydrophobicContact CG1-CG 3.97Å; V570-L574 WeakPolarHBondContact O-CG 3.32Å; V570-L574 PolarHBondContact O-N 3.02Å
571	P	66.5	Low	69.9	Low	74 Å²	74	66.8 Å²	66.8	48%	0.481	34%	0.337	S	S	.	.	H	α-helix	trans	-58.6	-36.8	176.7	-25.7	34.8	0	0	0	112.9	Q567 R575	Q567-P571 WeakPolarHBondContact O-CD 3.44Å; P571-R575 WeakPolarHBondContact O-CB 3.29Å; P571-R575 PolarHBondContact O-N 3.38Å; P571-R575 VanDerWaalsContact O-N 3.11Å
572	I	72.6	Confident	70.1	Confident	59 Å²	59	65.7 Å²	65.7	30%	0.303	33%	0.329	S	S	.	.	H	α-helix	trans	-66	-44.1	176.3	-58.6	171.6	0	0	0	109.6	T533 A537 L569 V570 H576	T533-I572 HydrophobicContact CG2-CG2 3.86Å; A537-I572 HydrophobicContact CB-CB 4.42Å; A537-I572 HydrophobicContact CB-CG2 3.93Å; L569-I572 WeakPolarHBondContact O-CB 3.43Å; L569-I572 PolarHBondContact O-N 3.2Å; L569-I572 VanDerWaalsContact O-N 3.16Å; V570-I572 PolarHBondContact O-N 2.8Å; I572-H576 PolarHBondContact O-CD2 3.32Å; I572-H576 PolarHBondContact O-N 3.25Å
573	M	70.8	Confident	69.9	Low	30 Å²	30	66.7 Å²	66.7	15%	0.148	33%	0.333	C	S	.	.	H	α-helix	trans	-62.2	-50	176.9	-64.4	-179.3	80.3	0	0	111.1	F534 A537 H538 L569 V570 R575 H576 R577	F534-M573 HydrophobicContact CD2-CB 4.48Å; F534-M573 VanDerWaalsContact CE2-CA 3.5Å; F534-M573 HydrophobicContact CE2-CB 3.9Å; F534-M573 HydrophobicContact CE2-CG 4.29Å; F534-M573 WeakPolarHBondContact CE2-O 3.38Å; A537-M573 HydrophobicContact CB-CG 4.47Å; H538-M573 HydrophobicContact CB-CE 4.29Å; L569-M573 WeakPolarHBondContact O-CG 3.38Å; L569-M573 PolarHBondContact O-N 2.76Å; V570-M573 WeakPolarHBondContact O-CB 3.5Å; V570-M573 PolarHBondContact O-N 2.84Å; V570-M573 VanDerWaalsContact O-N 3.08Å; M573-R575 VanDerWaalsContact C-N 3.33Å; M573-R575 PolarHBondContact O-N 2.84Å; M573-H576 PolarHBondContact O-N 3.32Å; M573-R577 WeakPolarHBondContact O-CB 3.48Å; M573-R577 PolarHBondContact O-N 3.16Å
574	L	66	Low	70	Confident	81 Å²	81	67 Å²	67	42%	0.424	33%	0.332	S	S	.	.	H	α-helix	trans	-61.2	-39.6	-178.3	-68.3	175.4	0	0	0	112.9	F267 V570	F267-L574 HydrophobicContact CE1-CD1 4.07Å; V570-L574 HydrophobicContact CG1-CD1 3.87Å; V570-L574 HydrophobicContact CG1-CG 3.97Å; V570-L574 WeakPolarHBondContact O-CG 3.32Å; V570-L574 PolarHBondContact O-N 3.02Å
575	R	68.9	Low	70.2	Confident	211 Å²	211	61.6 Å²	61.6	80%	0.796	31%	0.306	S	S	*	.	H	α-helix	trans	-71.3	-35.6	-178.1	-172.9	175.8	-175.9	166.1	2.1	113.9	P571 M573	P571-R575 WeakPolarHBondContact O-CB 3.29Å; P571-R575 PolarHBondContact O-N 3.38Å; P571-R575 VanDerWaalsContact O-N 3.11Å; M573-R575 VanDerWaalsContact C-N 3.33Å; M573-R575 PolarHBondContact O-N 2.84Å
576	H	69.8	Low	69.9	Low	65 Å²	65	61.2 Å²	61.2	30%	0.301	31%	0.305	S	S	.	.	H	α-helix	trans	-106.4	3.4	-172.4	-67.4	-74.5	0	0	0	113.9	F534 I572 M573 L578	F534-H576 HydrophobicContact CB-CB 3.86Å; F534-H576 HydrophobicContact CD2-CB 3.81Å; F534-H576 HydrophobicContact CG-CB 4.25Å; I572-H576 PolarHBondContact O-CD2 3.32Å; I572-H576 PolarHBondContact O-N 3.25Å; M573-H576 PolarHBondContact O-N 3.32Å; H576-L578 PolarHBondContact O-N 3.25Å
577	R	70.4	Confident	70	Confident	87 Å²	87	59 Å²	59	33%	0.328	29%	0.294	S	S	.	.			trans	-69.1	125.6	179.2	178.6	171.5	-92.2	-176.5	-7.1	110.6	F534 M573 T579	F534-R577 HydrophobicContact CE2-CB 3.78Å; F534-R577 HydrophobicContact CE2-CG 4.5Å; F534-R577 HydrophobicContact CZ-CB 4.22Å; F534-R577 HydrophobicContact CZ-CG 4.48Å; M573-R577 WeakPolarHBondContact O-CB 3.48Å; M573-R577 PolarHBondContact O-N 3.16Å; R577-T579 VanDerWaalsContact CD-O 3.26Å; R577-T579 WeakPolarHBondContact CD-O 3.4Å; R577-T579 WeakPolarHBondContact CG-O 3.27Å
578	L	69.1	Low	70.7	Confident	102 Å²	102	57.1 Å²	57.1	53%	0.534	29%	0.285	S	S	.	.			trans	-89	-30.9	179.5	-64.8	179.4	0	0	0	113.3	F529 E530 H576	F529-L578 VanDerWaalsContact C-CD1 3.49Å; F529-L578 HydrophobicContact CB-CD1 3.96Å; F529-L578 WeakPolarHBondContact O-CD1 3.44Å; E530-L578 HydrophobicContact CG-CD1 4.17Å; E530-L578 HydrophobicContact CG-CG 4.39Å; H576-L578 PolarHBondContact O-N 3.25Å
579	T	66.4	Low	70.9	Confident	59 Å²	59	55.7 Å²	55.7	36%	0.362	28%	0.275	S	S	.	.	S	Bend	trans	-141.1	147.6	178.9	52.6	0	0	0	0	111.1	T527 R577	T527-T579 HydrophobicContact CG2-CG2 3.63Å; T527-T579 WeakPolarHBondContact CG2-OG1 3.33Å; R577-T579 VanDerWaalsContact CD-O 3.26Å; R577-T579 WeakPolarHBondContact CD-O 3.4Å; R577-T579 WeakPolarHBondContact CG-O 3.27Å
580	P	65.4	Low	71	Confident	67 Å²	67	58.2 Å²	58.2	44%	0.435	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-64.6	139.7	169.9	28.2	-32.9	0	0	0	109.5
581	P	68.1	Low	71.5	Confident	12 Å²	12	56.6 Å²	56.6	8%	0.078	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-63.8	161.6	176	26.4	-35.7	0	0	0	110.9	T585 Y586	P581-T585 HydrophobicContact CB-CG2 4.12Å; P581-Y586 WeakPolarHBondContact CD-OH 3.35Å; P581-Y586 HydrophobicContact CG-CD1 4.47Å; P581-Y586 HydrophobicContact CG-CD2 4.2Å; P581-Y586 HydrophobicContact CG-CE1 3.92Å; P581-Y586 HydrophobicContact CG-CE2 3.61Å; P581-Y586 VanDerWaalsContact CG-CZ 3.48Å; P581-Y586 VanDerWaalsContact O-CE2 3.25Å; P581-Y586 WeakPolarHBondContact O-CE2 3.42Å
582	P	70.6	Confident	72.2	Confident	35 Å²	35	54.1 Å²	54.1	23%	0.227	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-53.2	147.5	173.8	-24.2	32.3	0	0	0	111.7	L523 K524 E584 T585	L523-P582 WeakPolarHBondContact O-CG 3.33Å; K524-P582 HydrophobicContact CB-CG 3.96Å; P582-E584 WeakPolarHBondContact CB-OE2 3.5Å; P582-E584 PolarHBondContact O-N 3.4Å; P582-T585 WeakPolarHBondContact CD-OG1 3.46Å; P582-T585 WeakPolarHBondContact O-CB 3.46Å; P582-T585 PolarHBondContact O-N 2.98Å; P582-T585 PolarHBondContact O-OG1 3.29Å
583	E	68.3	Low	72.5	Confident	33 Å²	33	53.6 Å²	53.6	15%	0.154	26%	0.26	C	S	.	.	H	α-helix	trans	-55.2	-39.1	-177.1	-165.8	-168.7	-174.3	0	0	112	V376 R379 R491 T585 Y586	V376-E583 HydrophobicContact CB-CG 4.49Å; V376-E583 HydrophobicContact CG1-CG 3.87Å; V376-E583 HydrophobicContact CG2-CG 3.8Å; R379-E583 WeakPolarHBondContact CD-OE1 3.49Å; R379-E583 IonicContact CZ-OE1 2.69Å; R379-E583 IonicContact NE-OE1 2.71Å; R379-E583 IonicContact NH1-OE1 3.26Å; R379-E583 PolarHBondContact NH1-OE1 3.25Å; R379-E583 IonicContact NH1-OE2 3.94Å; R379-E583 PolarHBondContact NH1-OE2 3.4Å; R491-E583 IonicContact CZ-OE2 3.25Å; R491-E583 VanDerWaalsContact NH1-C 3.29Å; R491-E583 PolarHBondContact NH1-O 2.88Å; R491-E583 IonicContact NH1-OE2 3.73Å; R491-E583 IonicContact NH2-OE2 2.82Å; R491-E583 PolarHBondContact NH2-OE2 3.16Å; E583-T585 PolarHBondContact O-N 2.95Å; E583-Y586 PolarHBondContact O-N 2.87Å
584	E	71.3	Confident	72.9	Confident	50 Å²	50	52.4 Å²	52.4	23%	0.234	26%	0.255	C	S	.	.	H	α-helix	trans	-56.1	-34.2	178.1	-66.5	71.7	-154.6	0	0	112.4	R491 Y493 F497 P582 L588	R491-E584 IonicContact CZ-OE1 2.97Å; R491-E584 VanDerWaalsContact NH2-CD 3.32Å; R491-E584 IonicContact NH2-OE1 3.98Å; R491-E584 PolarHBondContact NH2-OE1 3.48Å; Y493-E584 HydrophobicContact CD1-CB 4.28Å; Y493-E584 HydrophobicContact CE1-CB 3.88Å; Y493-E584 PolarHBondContact OH-O 3.07Å; F497-E584 HydrophobicContact CE2-CB 4.19Å; F497-E584 HydrophobicContact CZ-CB 4.33Å; P582-E584 WeakPolarHBondContact CB-OE2 3.5Å; P582-E584 PolarHBondContact O-N 3.4Å; E584-L588 WeakPolarHBondContact O-CB 3.31Å; E584-L588 PolarHBondContact O-N 3.28Å; E584-L588 VanDerWaalsContact O-N 3.17Å
585	T	74.3	Confident	73.8	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.018	24%	0.235	C	C	.	.	H	α-helix	trans	-69.4	-38.2	-175.4	-42.6	0	0	0	0	111.7	F525 P581 P582 E583 L588 H589	F525-T585 HydrophobicContact CD1-CG2 3.84Å; F525-T585 HydrophobicContact CE1-CG2 3.29Å; F525-T585 WeakPolarHBondContact CE1-OG1 3.32Å; F525-T585 HydrophobicContact CZ-CG2 3.68Å; P581-T585 HydrophobicContact CB-CG2 4.12Å; P582-T585 WeakPolarHBondContact CD-OG1 3.46Å; P582-T585 WeakPolarHBondContact O-CB 3.46Å; P582-T585 PolarHBondContact O-N 2.98Å; P582-T585 PolarHBondContact O-OG1 3.29Å; E583-T585 PolarHBondContact O-N 2.95Å; T585-L588 PolarHBondContact O-N 3.02Å; T585-H589 WeakPolarHBondContact CG2-CE1 3.46Å; T585-H589 WeakPolarHBondContact O-CB 3.39Å; T585-H589 PolarHBondContact O-N 3.16Å
586	Y	71.9	Confident	74.5	Confident	64 Å²	64	39.2 Å²	39.2	25%	0.251	20%	0.2	S	C	.	.	H	α-helix	trans	-64.8	-49.7	-176.6	-74.1	-79.5	0	0	0	111.1	P581 E583 L588 R590	P581-Y586 WeakPolarHBondContact CD-OH 3.35Å; P581-Y586 HydrophobicContact CG-CD1 4.47Å; P581-Y586 HydrophobicContact CG-CD2 4.2Å; P581-Y586 HydrophobicContact CG-CE1 3.92Å; P581-Y586 HydrophobicContact CG-CE2 3.61Å; P581-Y586 VanDerWaalsContact CG-CZ 3.48Å; P581-Y586 VanDerWaalsContact O-CE2 3.25Å; P581-Y586 WeakPolarHBondContact O-CE2 3.42Å; E583-Y586 PolarHBondContact O-N 2.87Å; Y586-L588 VanDerWaalsContact C-N 3.35Å; Y586-R590 WeakPolarHBondContact O-CB 3.16Å; Y586-R590 PolarHBondContact O-N 3.02Å; Y586-R590 VanDerWaalsContact O-N 3.11Å
587	S	74.6	Confident	75	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.007	20%	0.199	C	C	.	.	H	α-helix	trans	-68.8	-36.7	-179.8	-36.9	0	0	0	0	111	E380 K591	E380-S587 PolarHBondContact OE1-OG 3.38Å; S587-K591 PolarHBondContact O-N 3.37Å; S587-K591 VanDerWaalsContact O-N 3.13Å
588	L	81.8	Confident	75.7	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.6	-57.1	176	177.3	69.6	0	0	0	112.7	L458 M464 Y493 F497 Y501 E584 T585 Y586 R590 K591 M592	L458-L588 HydrophobicContact CD1-CD1 3.43Å; L458-L588 VanDerWaalsContact CD1-CD1 3.43Å; L458-L588 HydrophobicContact CD2-CD1 3.19Å; L458-L588 HydrophobicContact CG-CD1 3.9Å; M464-L588 HydrophobicContact CE-CD1 4.34Å; M464-L588 HydrophobicContact SD-CD1 4.01Å; Y493-L588 HydrophobicContact CE1-CB 4.14Å; Y493-L588 HydrophobicContact CE1-CD1 4.38Å; Y493-L588 PolarHBondContact OH-N 2.92Å; F497-L588 HydrophobicContact CE1-CD2 3.63Å; F497-L588 HydrophobicContact CZ-CD2 3.65Å; Y501-L588 HydrophobicContact CD1-CD2 4.25Å; Y501-L588 HydrophobicContact CD2-CD2 3.82Å; Y501-L588 HydrophobicContact CE1-CD1 4.38Å; Y501-L588 HydrophobicContact CE1-CD2 3.86Å; Y501-L588 HydrophobicContact CE1-CG 4.42Å; Y501-L588 HydrophobicContact CE2-CD2 3.39Å; Y501-L588 HydrophobicContact CE2-CG 4.46Å; Y501-L588 HydrophobicContact CG-CD2 4.24Å; Y501-L588 VanDerWaalsContact CZ-CD2 3.41Å; E584-L588 WeakPolarHBondContact O-CB 3.31Å; E584-L588 PolarHBondContact O-N 3.28Å; E584-L588 VanDerWaalsContact O-N 3.17Å; T585-L588 PolarHBondContact O-N 3.02Å; Y586-L588 VanDerWaalsContact C-N 3.35Å; L588-R590 PolarHBondContact O-N 2.98Å; L588-K591 PolarHBondContact O-N 2.97Å; L588-K591 VanDerWaalsContact O-N 3.15Å; L588-M592 PolarHBondContact O-N 3Å
589	H	77.3	Confident	76.6	Confident	78 Å²	78	29.9 Å²	29.9	36%	0.361	16%	0.159	S	C	.	.	H	α-helix	trans	-63.9	-33	-178	-70.9	-178.8	0	0	0	111	Y501 T585 A593	Y501-H589 AromaticContact CE2-NE2 3.84Å; T585-H589 WeakPolarHBondContact CG2-CE1 3.46Å; T585-H589 WeakPolarHBondContact O-CB 3.39Å; T585-H589 PolarHBondContact O-N 3.16Å; H589-A593 WeakPolarHBondContact O-CB 3.47Å; H589-A593 PolarHBondContact O-N 3.49Å
590	R	75.9	Confident	77.6	Confident	77 Å²	77	28.7 Å²	28.7	29%	0.291	15%	0.154	S	C	.	.	H	α-helix	trans	-60.9	-45.6	173.9	-170	-172.1	-51.6	173.7	9.1	111.9	E380 P468 Y586 L588 G594	E380-R590 IonicContact OE1-CZ 2.67Å; E380-R590 IonicContact OE1-NH1 3.91Å; E380-R590 IonicContact OE1-NH2 3.77Å; E380-R590 PolarHBondContact OE1-NH2 3.22Å; E380-R590 IonicContact OE2-CZ 2.85Å; E380-R590 IonicContact OE2-NH1 2.85Å; E380-R590 PolarHBondContact OE2-NH1 3.39Å; E380-R590 IonicContact OE2-NH2 3.88Å; E380-R590 PolarHBondContact OE2-NH2 3.48Å; P468-R590 HydrophobicContact CB-CG 4.48Å; P468-R590 HydrophobicContact CG-CG 3.87Å; Y586-R590 WeakPolarHBondContact O-CB 3.16Å; Y586-R590 PolarHBondContact O-N 3.02Å; Y586-R590 VanDerWaalsContact O-N 3.11Å; L588-R590 PolarHBondContact O-N 2.98Å; R590-G594 PolarHBondContact O-N 3.29Å
591	K	82.4	Confident	78.4	Confident	1 Å²	1	29.9 Å²	29.9	0%	0.004	15%	0.152	C	C	.	.	H	α-helix	trans	-70.2	-43	178.1	173.4	58	177.6	-128	0	112.8	E457 M464 Q465 W470 S587 L588 G594 S595	E457-K591 IonicContact OE1-NZ 3.45Å; E457-K591 WeakPolarHBondContact OE2-CE 3.4Å; E457-K591 IonicContact OE2-NZ 3.18Å; E457-K591 PolarHBondContact OE2-NZ 3.12Å; M464-K591 HydrophobicContact CE-CB 3.85Å; M464-K591 HydrophobicContact CE-CD 4.43Å; M464-K591 HydrophobicContact CE-CG 3.18Å; M464-K591 HydrophobicContact CG-CG 4.24Å; M464-K591 HydrophobicContact SD-CB 4Å; M464-K591 HydrophobicContact SD-CG 3.76Å; Q465-K591 VanDerWaalsContact O-CD 3.3Å; Q465-K591 WeakPolarHBondContact O-CD 3.34Å; Q465-K591 WeakPolarHBondContact O-CE 3.27Å; Q465-K591 PolarHBondContact O-NZ 3.31Å; W470-K591 HydrophobicContact CH2-CD 4.29Å; S587-K591 PolarHBondContact O-N 3.37Å; S587-K591 VanDerWaalsContact O-N 3.13Å; L588-K591 PolarHBondContact O-N 2.97Å; L588-K591 VanDerWaalsContact O-N 3.15Å; K591-G594 PolarHBondContact O-N 3.05Å; K591-S595 WeakPolarHBondContact O-CB 3.39Å; K591-S595 PolarHBondContact O-N 3.45Å; K591-S595 PolarHBondContact O-OG 2.98Å
592	M	81.3	Confident	79.4	Confident	21 Å²	21	29.3 Å²	29.3	10%	0.103	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-49.9	174.9	-74.6	-63.4	-63.4	0	0	111.2	C454 L458 F549 L588 G594 S595 F596	C454-M592 PolarHBondContact SG-SD 2.97Å; L458-M592 HydrophobicContact CD1-SD 4.32Å; F549-M592 HydrophobicContact CE2-CE 4.5Å; F549-M592 HydrophobicContact CZ-CE 4.39Å; L588-M592 PolarHBondContact O-N 3Å; M592-G594 VanDerWaalsContact C-N 3.34Å; M592-G594 PolarHBondContact O-N 3.38Å; M592-S595 WeakPolarHBondContact O-CB 3.44Å; M592-S595 PolarHBondContact O-N 3.49Å; M592-S595 VanDerWaalsContact O-N 3.09Å; M592-F596 HydrophobicContact CE-CE2 4.04Å; M592-F596 WeakPolarHBondContact O-CD2 3.41Å; M592-F596 PolarHBondContact O-N 3.38Å
593	A	78	Confident	80.3	Confident	49 Å²	49	33.7 Å²	33.7	41%	0.405	16%	0.163	S	C	.	.	H	α-helix	trans	-59.8	-44.7	175.9	0	0	0	0	0	111.4	H589 S595 F596 L597	H589-A593 WeakPolarHBondContact O-CB 3.47Å; H589-A593 PolarHBondContact O-N 3.49Å; A593-S595 PolarHBondContact O-N 3.4Å; A593-F596 PolarHBondContact O-N 3.11Å; A593-L597 WeakPolarHBondContact O-CB 3.49Å; A593-L597 VanDerWaalsContact O-CG 3.27Å; A593-L597 WeakPolarHBondContact O-CG 3.28Å; A593-L597 PolarHBondContact O-N 3.46Å
594	G	78.7	Confident	81.5	Confident	4 Å²	4	32.1 Å²	32.1	4%	0.041	16%	0.156	C	C	.	.	H	α-helix	trans	-55.7	-40	174.3	0	0	0	0	0	112.6	W470 R590 K591 M592 L597 I598	W470-G594 VanDerWaalsContact CZ2-C 3.42Å; W470-G594 WeakPolarHBondContact CZ2-O 3.25Å; W470-G594 PolarHBondContact NE1-O 3.14Å; R590-G594 PolarHBondContact O-N 3.29Å; K591-G594 PolarHBondContact O-N 3.05Å; M592-G594 VanDerWaalsContact C-N 3.34Å; M592-G594 PolarHBondContact O-N 3.38Å; G594-L597 PolarHBondContact O-N 3.47Å; G594-I598 PolarHBondContact O-N 3.03Å
595	S	85.3	Confident	82.6	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-69.2	-39.7	-178.4	-56.7	0	0	0	0	111.3	K591 M592 A593 I598 C599	K591-S595 WeakPolarHBondContact O-CB 3.39Å; K591-S595 PolarHBondContact O-N 3.45Å; K591-S595 PolarHBondContact O-OG 2.98Å; M592-S595 WeakPolarHBondContact O-CB 3.44Å; M592-S595 PolarHBondContact O-N 3.49Å; M592-S595 VanDerWaalsContact O-N 3.09Å; A593-S595 PolarHBondContact O-N 3.4Å; S595-I598 WeakPolarHBondContact O-CG2 3.41Å; S595-C599 PolarHBondContact O-N 3.25Å; S595-C599 PolarHBondContact O-SG 3.46Å
596	F	84	Confident	83.5	Confident	15 Å²	15	33 Å²	33	7%	0.066	16%	0.162	C	C	.	.	H	α-helix	trans	-66.4	-41.5	173	-83.1	-122.9	0	0	0	111.3	L451 L545 A548 F549 F557 M592 A593 I598 C599 S600	L451-F596 HydrophobicContact CD1-CD2 4.22Å; L451-F596 HydrophobicContact CD1-CE2 3.88Å; L545-F596 HydrophobicContact CD2-CD1 4.42Å; L545-F596 HydrophobicContact CD2-CE1 4.34Å; A548-F596 HydrophobicContact CB-CE1 3.85Å; A548-F596 HydrophobicContact CB-CZ 4.06Å; F549-F596 HydrophobicContact CE2-CZ 4.07Å; F549-F596 HydrophobicContact CZ-CE2 4.27Å; F549-F596 HydrophobicContact CZ-CZ 4.11Å; F557-F596 HydrophobicContact CD1-CD1 4.43Å; F557-F596 AromaticContact CE1-CD1 3.69Å; F557-F596 HydrophobicContact CE1-CD1 3.69Å; F557-F596 AromaticContact CE1-CE1 3.98Å; F557-F596 HydrophobicContact CE1-CE1 3.98Å; F557-F596 HydrophobicContact CE1-CG 4.09Å; M592-F596 HydrophobicContact CE-CE2 4.04Å; M592-F596 WeakPolarHBondContact O-CD2 3.41Å; M592-F596 PolarHBondContact O-N 3.38Å; A593-F596 PolarHBondContact O-N 3.11Å; F596-I598 PolarHBondContact O-N 2.91Å; F596-C599 WeakPolarHBondContact O-CB 3.42Å; F596-C599 PolarHBondContact O-N 3.46Å; F596-S600 PolarHBondContact O-N 2.99Å; F596-S600 PolarHBondContact O-OG 3.26Å
597	L	80.9	Confident	84.6	Confident	53 Å²	53	32.9 Å²	32.9	28%	0.277	17%	0.169	S	C	.	.	H	α-helix	trans	-64.6	-38.4	-180	-72.2	174.1	0	0	0	112.9	D264 T563 A593 G594 C599 S600 K601	D264-L597 VanDerWaalsContact OD2-CD2 3.28Å; D264-L597 WeakPolarHBondContact OD2-CD2 3.46Å; T563-L597 HydrophobicContact CG2-CD2 4.24Å; A593-L597 WeakPolarHBondContact O-CB 3.49Å; A593-L597 VanDerWaalsContact O-CG 3.27Å; A593-L597 WeakPolarHBondContact O-CG 3.28Å; A593-L597 PolarHBondContact O-N 3.46Å; G594-L597 PolarHBondContact O-N 3.47Å; L597-C599 VanDerWaalsContact C-N 3.34Å; L597-S600 PolarHBondContact O-N 3.06Å; L597-K601 WeakPolarHBondContact O-CB 3.28Å; L597-K601 PolarHBondContact O-N 3.23Å
598	I	83.9	Confident	85.5	Confident	5 Å²	5	32.9 Å²	32.9	3%	0.026	17%	0.169	C	C	.	.	H	α-helix	trans	-68.4	-36.1	174.2	-169.7	61.9	0	0	0	111.6	I450 W470 G594 S595 F596 S600 K601 L602	I450-I598 HydrophobicContact CG2-CG2 4.29Å; W470-I598 HydrophobicContact CB-CD1 4.11Å; W470-I598 HydrophobicContact CB-CG1 4.39Å; W470-I598 HydrophobicContact CD2-CB 4.06Å; W470-I598 HydrophobicContact CD2-CG1 4.25Å; W470-I598 HydrophobicContact CD2-CG2 3.98Å; W470-I598 HydrophobicContact CG-CB 3.95Å; W470-I598 HydrophobicContact CG-CD1 4.07Å; W470-I598 HydrophobicContact CG-CG1 3.96Å; W470-I598 HydrophobicContact CG-CG2 4.4Å; W470-I598 HydrophobicContact CH2-CG2 4.4Å; W470-I598 HydrophobicContact CZ2-CG2 3.88Å; G594-I598 PolarHBondContact O-N 3.03Å; S595-I598 WeakPolarHBondContact O-CG2 3.41Å; F596-I598 PolarHBondContact O-N 2.91Å; I598-S600 VanDerWaalsContact C-N 3.34Å; I598-S600 PolarHBondContact O-N 3.21Å; I598-K601 HydrophobicContact CD1-CB 4.48Å; I598-K601 HydrophobicContact CD1-CD 4.36Å; I598-K601 PolarHBondContact O-N 3.45Å; I598-L602 HydrophobicContact CD1-CD1 4.21Å; I598-L602 HydrophobicContact CD1-CG 4.17Å; I598-L602 HydrophobicContact CG1-CD1 4.05Å; I598-L602 HydrophobicContact CG1-CG 4.36Å; I598-L602 WeakPolarHBondContact O-CB 3.3Å; I598-L602 WeakPolarHBondContact O-CG 3.49Å; I598-L602 PolarHBondContact O-N 3.04Å
599	C	88.9	Confident	86.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-43.2	172.5	-63.7	0	0	0	0	111.6	C447 F557 S595 F596 L597 L602 K603 A604	C447-C599 HydrophobicContact CB-CB 4.38Å; F557-C599 HydrophobicContact CB-CB 3.95Å; F557-C599 HydrophobicContact CD1-CB 3.59Å; F557-C599 HydrophobicContact CD2-CB 3.91Å; F557-C599 HydrophobicContact CE1-CB 4.01Å; F557-C599 HydrophobicContact CE2-CB 4.31Å; F557-C599 HydrophobicContact CG-CB 3.54Å; F557-C599 HydrophobicContact CZ-CB 4.35Å; S595-C599 PolarHBondContact O-N 3.25Å; S595-C599 PolarHBondContact O-SG 3.46Å; F596-C599 WeakPolarHBondContact O-CB 3.42Å; F596-C599 PolarHBondContact O-N 3.46Å; L597-C599 VanDerWaalsContact C-N 3.34Å; C599-L602 PolarHBondContact O-N 2.84Å; C599-K603 PolarHBondContact O-N 3.34Å; C599-K603 VanDerWaalsContact O-N 3.08Å; C599-A604 HydrophobicContact CB-CB 4.3Å; C599-A604 PolarHBondContact O-N 3.05Å
600	S	85.9	Confident	86.8	Confident	35 Å²	35	38.5 Å²	38.5	25%	0.245	20%	0.195	C	C	.	.	H	α-helix	trans	-65.1	-43.4	174.3	-67.8	0	0	0	0	112.5	F557 F596 L597 I598 L602 K603	F557-S600 WeakPolarHBondContact O-CA 3.44Å; F557-S600 VanDerWaalsContact O-CB 3.31Å; F557-S600 WeakPolarHBondContact O-CB 3.49Å; F557-S600 PolarHBondContact O-OG 3.44Å; F596-S600 PolarHBondContact O-N 2.99Å; F596-S600 PolarHBondContact O-OG 3.26Å; L597-S600 PolarHBondContact O-N 3.06Å; I598-S600 VanDerWaalsContact C-N 3.34Å; I598-S600 PolarHBondContact O-N 3.21Å; S600-L602 VanDerWaalsContact C-N 3.32Å; S600-L602 PolarHBondContact O-N 2.93Å; S600-K603 PolarHBondContact O-N 3.1Å
601	K	83.8	Confident	87.7	Confident	92 Å²	92	34.9 Å²	34.9	40%	0.4	18%	0.181	S	C	.	.	H	α-helix	trans	-61.8	-39.9	178.4	-178.4	173.4	174.4	178.6	0	112.2	D433 I436 L597 I598 K603	D433-K601 VanDerWaalsContact O-CE 3.3Å; D433-K601 WeakPolarHBondContact O-CE 3.39Å; D433-K601 PolarHBondContact O-NZ 2.75Å; I436-K601 HydrophobicContact CD1-CG 4.37Å; L597-K601 WeakPolarHBondContact O-CB 3.28Å; L597-K601 PolarHBondContact O-N 3.23Å; I598-K601 HydrophobicContact CD1-CB 4.48Å; I598-K601 HydrophobicContact CD1-CD 4.36Å; I598-K601 PolarHBondContact O-N 3.45Å; K601-K603 PolarHBondContact O-N 3.19Å
602	L	88.4	Confident	88.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	0.9	176.6	-64.5	179.9	0	0	0	113.2	C435 I436 R443 I446 I598 C599 S600 A604	C435-L602 HydrophobicContact CB-CD2 4.22Å; I436-L602 HydrophobicContact CG1-CD2 4.17Å; R443-L602 HydrophobicContact CB-CB 4.39Å; R443-L602 WeakPolarHBondContact CD-O 3.18Å; R443-L602 PolarHBondContact NE-O 3.26Å; I446-L602 HydrophobicContact CG2-CD1 4.15Å; I598-L602 HydrophobicContact CD1-CD1 4.21Å; I598-L602 HydrophobicContact CD1-CG 4.17Å; I598-L602 HydrophobicContact CG1-CD1 4.05Å; I598-L602 HydrophobicContact CG1-CG 4.36Å; I598-L602 WeakPolarHBondContact O-CB 3.3Å; I598-L602 WeakPolarHBondContact O-CG 3.49Å; I598-L602 PolarHBondContact O-N 3.04Å; C599-L602 PolarHBondContact O-N 2.84Å; S600-L602 VanDerWaalsContact C-N 3.32Å; S600-L602 PolarHBondContact O-N 2.93Å; L602-A604 PolarHBondContact O-N 3.41Å
603	K	90.5	Very high	88.8	Confident	126 Å²	126	36 Å²	36	55%	0.548	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	47.6	-178.4	-57.2	-177.5	179.7	-177.6	0	111.5	Q440 C599 S600 K601	Q440-K603 PolarHBondContact NE2-O 3.2Å; C599-K603 PolarHBondContact O-N 3.34Å; C599-K603 VanDerWaalsContact O-N 3.08Å; S600-K603 PolarHBondContact O-N 3.1Å; K601-K603 PolarHBondContact O-N 3.19Å
604	A	92.3	Very high	89.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.195	C	C	.	.			trans	-72.3	143.1	-177.4	0	0	0	0	0	111.2	N444 C447 F557 C599 L602 I606	N444-A604 WeakPolarHBondContact OD1-CA 3.4Å; C447-A604 HydrophobicContact CB-CB 3.48Å; C447-A604 VanDerWaalsContact CB-CB 3.48Å; C447-A604 VanDerWaalsContact SG-CB 3.58Å; F557-A604 HydrophobicContact CD2-CB 4.45Å; F557-A604 PolarHBondContact N-O 2.66Å; C599-A604 HydrophobicContact CB-CB 4.3Å; C599-A604 PolarHBondContact O-N 3.05Å; L602-A604 PolarHBondContact O-N 3.41Å; A604-I606 HydrophobicContact CB-CG2 4.34Å
605	N	94.1	Very high	90.4	Very high	69 Å²	69	39 Å²	39	37%	0.369	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	99.7	170.7	-176.5	19	0	0	0	108.3	N444 P554 F555	N444-N605 PolarHBondContact ND2-O 3.47Å; N444-N605 VanDerWaalsContact ND2-O 3.08Å; N444-N605 PolarHBondContact OD1-N 3.23Å; P554-N605 VanDerWaalsContact C-OD1 3.24Å; P554-N605 WeakPolarHBondContact CB-OD1 3.47Å; P554-N605 PolarHBondContact O-OD1 3.34Å; F555-N605 WeakPolarHBondContact O-CA 3.2Å
606	I	94.7	Very high	90.8	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.015	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	145.2	-166.8	57.5	168.9	0	0	0	112.5	N444 C447 Y448 L451 F555 F557 A604 C608	N444-I606 HydrophobicContact CB-CG2 3.83Å; N444-I606 WeakPolarHBondContact O-CG2 3.46Å; C447-I606 HydrophobicContact CB-CD1 4.28Å; Y448-I606 HydrophobicContact CD2-CB 4.47Å; L451-I606 HydrophobicContact CD2-CD1 4.31Å; F555-I606 PolarHBondContact N-O 3.48Å; F555-I606 PolarHBondContact O-N 2.87Å; F557-I606 HydrophobicContact CD2-CD1 4.49Å; F557-I606 HydrophobicContact CD2-CG1 4.06Å; F557-I606 HydrophobicContact CE2-CD1 3.8Å; F557-I606 HydrophobicContact CE2-CG1 3.53Å; A604-I606 HydrophobicContact CB-CG2 4.34Å; I606-C608 PolarHBondContact O-N 3.3Å
607	P	94.4	Very high	91.3	Very high	61 Å²	61	43.2 Å²	43.2	40%	0.396	22%	0.218	S	C	.	.			trans	-75.1	113.1	173.3	30.3	-32.4	0	0	0	110.1	Y448	Y448-P607 HydrophobicContact CE2-CG 4.33Å; Y448-P607 WeakPolarHBondContact CE2-O 3.33Å
608	C	93.7	Very high	91.9	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.007	22%	0.219	C	C	.	.			trans	-99.6	-29	-176.6	-71	0	0	0	0	113.4	A548 F549 I606 M611 F612	A548-C608 WeakPolarHBondContact O-CB 3.31Å; F549-C608 HydrophobicContact CD1-CB 4.06Å; F549-C608 HydrophobicContact CE1-CB 4.39Å; I606-C608 PolarHBondContact O-N 3.3Å; C608-M611 HydrophobicContact CB-CE 4.49Å; C608-F612 PolarHBondContact O-N 2.9Å; C608-F612 VanDerWaalsContact O-N 3.09Å
609	R	93.3	Very high	92.4	Very high	98 Å²	98	42.5 Å²	42.5	37%	0.37	22%	0.219	S	C	.	.	H	α-helix	trans	-62.8	-55	-175.7	174	173.5	177	167.4	-3.2	112.7	F549 A550 S551 M611 F612 L613	F549-R609 WeakPolarHBondContact O-CA 3.34Å; F549-R609 VanDerWaalsContact O-CB 3.23Å; F549-R609 WeakPolarHBondContact O-CB 3.38Å; F549-R609 WeakPolarHBondContact O-CG 3.32Å; A550-R609 PolarHBondContact O-NH1 2.89Å; S551-R609 WeakPolarHBondContact O-CB 3.44Å; R609-M611 VanDerWaalsContact C-N 3.32Å; R609-M611 PolarHBondContact O-N 3.39Å; R609-F612 PolarHBondContact O-N 3.39Å; R609-F612 VanDerWaalsContact O-N 3.13Å; R609-L613 HydrophobicContact CG-CD1 3.85Å; R609-L613 HydrophobicContact CG-CG 4.36Å; R609-L613 WeakPolarHBondContact O-CG 3.44Å; R609-L613 PolarHBondContact O-N 2.94Å
610	D	92.4	Very high	92.6	Very high	98 Å²	98	45.1 Å²	45.1	52%	0.524	23%	0.232	S	C	.	.	H	α-helix	trans	-62.5	-43.2	-176.2	-63.6	-19.9	0	0	0	110.8	F612 L613 D614	D610-F612 VanDerWaalsContact C-N 3.31Å; D610-F612 PolarHBondContact O-N 3.49Å; D610-L613 PolarHBondContact O-N 3.05Å; D610-D614 WeakPolarHBondContact O-CB 3.49Å; D610-D614 VanDerWaalsContact O-CG 3.3Å; D610-D614 PolarHBondContact O-N 3.32Å
611	M	94.2	Very high	92.9	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-54.1	-45.4	173.3	178.5	-175	64.3	0	0	112.5	Y448 L451 H452 L455 F549 C608 R609 V615	Y448-M611 HydrophobicContact CD2-SD 4.23Å; Y448-M611 HydrophobicContact CE1-SD 4.48Å; Y448-M611 HydrophobicContact CE2-CB 3.99Å; Y448-M611 HydrophobicContact CE2-CG 4.29Å; Y448-M611 HydrophobicContact CE2-SD 3.95Å; L451-M611 HydrophobicContact CB-CE 4Å; L451-M611 HydrophobicContact CB-SD 4.49Å; L451-M611 HydrophobicContact CD2-CE 3.68Å; L451-M611 HydrophobicContact CG-CE 3.63Å; H452-M611 HydrophobicContact CB-CG 4.26Å; H452-M611 HydrophobicContact CB-SD 3.61Å; L455-M611 HydrophobicContact CD1-CE 3.93Å; L455-M611 HydrophobicContact CD1-CG 4.18Å; L455-M611 HydrophobicContact CD1-SD 4.42Å; F549-M611 HydrophobicContact CE1-CE 4.36Å; C608-M611 HydrophobicContact CB-CE 4.49Å; R609-M611 VanDerWaalsContact C-N 3.32Å; R609-M611 PolarHBondContact O-N 3.39Å; M611-V615 WeakPolarHBondContact O-CG2 3.43Å; M611-V615 PolarHBondContact O-N 2.88Å
612	F	94.4	Very high	93.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-70.1	-42.1	178.1	171.7	-106.1	0	0	0	112.3	L455 V505 Y506 F549 C608 R609 D610 D614 V615 Y616	L455-F612 HydrophobicContact CD1-CB 4.39Å; L455-F612 HydrophobicContact CD1-CD2 4.46Å; L455-F612 HydrophobicContact CD2-CD2 4.25Å; V505-F612 HydrophobicContact CB-CE2 3.95Å; V505-F612 HydrophobicContact CB-CZ 3.92Å; V505-F612 HydrophobicContact CG1-CD2 4.02Å; V505-F612 HydrophobicContact CG1-CE1 4.3Å; V505-F612 HydrophobicContact CG1-CE2 3.4Å; V505-F612 VanDerWaalsContact CG1-CE2 3.4Å; V505-F612 HydrophobicContact CG1-CZ 3.57Å; Y506-F612 HydrophobicContact CD2-CE1 4.11Å; F549-F612 HydrophobicContact CB-CB 4.25Å; F549-F612 HydrophobicContact CB-CD1 4.13Å; F549-F612 HydrophobicContact CB-CG 4.23Å; F549-F612 HydrophobicContact CD1-CB 3.54Å; F549-F612 HydrophobicContact CD1-CG 4.06Å; F549-F612 HydrophobicContact CE1-CB 4.17Å; F549-F612 HydrophobicContact CG-CB 4.1Å; F549-F612 HydrophobicContact CG-CG 4.16Å; C608-F612 PolarHBondContact O-N 2.9Å; C608-F612 VanDerWaalsContact O-N 3.09Å; R609-F612 PolarHBondContact O-N 3.39Å; R609-F612 VanDerWaalsContact O-N 3.13Å; D610-F612 VanDerWaalsContact C-N 3.31Å; D610-F612 PolarHBondContact O-N 3.49Å; F612-D614 VanDerWaalsContact C-N 3.32Å; F612-D614 PolarHBondContact O-N 3Å; F612-V615 PolarHBondContact O-N 3.36Å; F612-Y616 HydrophobicContact CZ-CD2 4.35Å; F612-Y616 WeakPolarHBondContact O-CB 3.32Å; F612-Y616 PolarHBondContact O-N 2.95Å
613	L	93.8	Very high	93.3	Very high	44 Å²	44	51.4 Å²	51.4	23%	0.23	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-38.4	179	-70.2	176	0	0	0	111.9	Y506 R609 D610 Y616 N617	Y506-L613 HydrophobicContact CE2-CD2 4.2Å; R609-L613 HydrophobicContact CG-CD1 3.85Å; R609-L613 HydrophobicContact CG-CG 4.36Å; R609-L613 WeakPolarHBondContact O-CG 3.44Å; R609-L613 PolarHBondContact O-N 2.94Å; D610-L613 PolarHBondContact O-N 3.05Å; L613-Y616 PolarHBondContact O-N 3.48Å; L613-N617 VanDerWaalsContact O-CB 3.31Å; L613-N617 WeakPolarHBondContact O-CB 3.38Å; L613-N617 PolarHBondContact O-N 3.28Å; L613-N617 PolarHBondContact O-ND2 2.91Å
614	D	94.3	Very high	93.1	Very high	105 Å²	105	51.8 Å²	51.8	56%	0.561	26%	0.257	S	S	*	.	H	α-helix	trans	-60.9	-47.2	175.1	-72.6	-18.4	0	0	0	111.2	D610 F612 N617 A618	D610-D614 WeakPolarHBondContact O-CB 3.49Å; D610-D614 VanDerWaalsContact O-CG 3.3Å; D610-D614 PolarHBondContact O-N 3.32Å; F612-D614 VanDerWaalsContact C-N 3.32Å; F612-D614 PolarHBondContact O-N 3Å; D614-N617 PolarHBondContact O-N 3.32Å; D614-A618 WeakPolarHBondContact O-CB 3.41Å; D614-A618 PolarHBondContact O-N 3.32Å
615	V	94.4	Very high	93	Very high	13 Å²	13	55.9 Å²	55.9	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-64.1	-42.3	176.3	175.9	0	0	0	0	111.3	L455 F459 M611 F612 A618 Y619	L455-V615 HydrophobicContact CB-CG1 4.27Å; L455-V615 HydrophobicContact CB-CG2 4.2Å; L455-V615 HydrophobicContact CD1-CG2 4.42Å; F459-V615 HydrophobicContact CB-CG1 3.85Å; F459-V615 HydrophobicContact CD2-CG1 3.89Å; F459-V615 HydrophobicContact CG-CG1 4.3Å; M611-V615 WeakPolarHBondContact O-CG2 3.43Å; M611-V615 PolarHBondContact O-N 2.88Å; F612-V615 PolarHBondContact O-N 3.36Å; V615-A618 PolarHBondContact O-N 3.03Å; V615-Y619 WeakPolarHBondContact O-CB 3.49Å; V615-Y619 PolarHBondContact O-N 3.09Å
616	Y	94.7	Very high	92.4	Very high	24 Å²	24	57.7 Å²	57.7	9%	0.094	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-49	177.6	178.1	-95.2	0	0	0	111.8	I502 Y506 F612 L613 A618 Y619 M620	I502-Y616 HydrophobicContact CD1-CD2 3.96Å; I502-Y616 HydrophobicContact CG1-CD2 3.97Å; Y506-Y616 HydrophobicContact CD1-CE2 4.2Å; Y506-Y616 AromaticContact CD1-CZ 3.99Å; Y506-Y616 AromaticContact CD2-CD1 3.97Å; Y506-Y616 HydrophobicContact CD2-CD1 3.97Å; Y506-Y616 AromaticContact CD2-CD2 3.88Å; Y506-Y616 HydrophobicContact CD2-CD2 3.88Å; Y506-Y616 AromaticContact CD2-CE1 3.84Å; Y506-Y616 HydrophobicContact CD2-CE1 3.84Å; Y506-Y616 AromaticContact CD2-CE2 3.75Å; Y506-Y616 HydrophobicContact CD2-CE2 3.75Å; Y506-Y616 AromaticContact CD2-CG 3.98Å; Y506-Y616 HydrophobicContact CD2-CG 3.98Å; Y506-Y616 AromaticContact CD2-CZ 3.72Å; Y506-Y616 HydrophobicContact CE2-CD1 4.1Å; Y506-Y616 AromaticContact CE2-CE1 3.83Å; Y506-Y616 HydrophobicContact CE2-CE1 3.83Å; Y506-Y616 HydrophobicContact CG-CD2 4.04Å; Y506-Y616 HydrophobicContact CG-CE1 4.28Å; Y506-Y616 AromaticContact CG-CE2 3.56Å; Y506-Y616 HydrophobicContact CG-CE2 3.56Å; Y506-Y616 AromaticContact CG-CZ 3.69Å; F612-Y616 HydrophobicContact CZ-CD2 4.35Å; F612-Y616 WeakPolarHBondContact O-CB 3.32Å; F612-Y616 PolarHBondContact O-N 2.95Å; L613-Y616 PolarHBondContact O-N 3.48Å; Y616-A618 PolarHBondContact O-N 3.26Å; Y616-Y619 WeakPolarHBondContact O-CB 3.32Å; Y616-Y619 PolarHBondContact O-N 3.06Å; Y616-M620 HydrophobicContact CD1-CG 4.19Å; Y616-M620 HydrophobicContact CD2-CG 4.5Å; Y616-M620 HydrophobicContact CE1-CG 3.78Å; Y616-M620 HydrophobicContact CE2-CG 4.13Å; Y616-M620 HydrophobicContact CE2-SD 4.39Å; Y616-M620 VanDerWaalsContact O-CG 3.32Å; Y616-M620 WeakPolarHBondContact O-CG 3.45Å; Y616-M620 PolarHBondContact O-N 3.07Å
617	N	94.7	Very high	91.2	Very high	79 Å²	79	69.1 Å²	69.1	42%	0.422	34%	0.34	S	S	.	.	H	α-helix	trans	-63.3	-44.4	-179.8	-70.7	-32.4	0	0	0	111	L613 D614 Y619 M620 Q621	L613-N617 VanDerWaalsContact O-CB 3.31Å; L613-N617 WeakPolarHBondContact O-CB 3.38Å; L613-N617 PolarHBondContact O-N 3.28Å; L613-N617 PolarHBondContact O-ND2 2.91Å; D614-N617 PolarHBondContact O-N 3.32Å; N617-Y619 VanDerWaalsContact C-N 3.32Å; N617-Y619 PolarHBondContact O-N 3.18Å; N617-M620 PolarHBondContact O-N 3.39Å; N617-Q621 WeakPolarHBondContact O-CB 3.41Å; N617-Q621 VanDerWaalsContact O-CG 3.27Å; N617-Q621 WeakPolarHBondContact O-CG 3.37Å; N617-Q621 PolarHBondContact O-N 3.23Å
618	A	94.2	Very high	91	Very high	36 Å²	36	69.5 Å²	69.5	30%	0.298	34%	0.337	S	S	.	.	H	α-helix	trans	-61.5	-40.7	175.3	0	0	0	0	0	112	D614 V615 Y616 R622	D614-A618 WeakPolarHBondContact O-CB 3.41Å; D614-A618 PolarHBondContact O-N 3.32Å; V615-A618 PolarHBondContact O-N 3.03Å; Y616-A618 PolarHBondContact O-N 3.26Å; A618-R622 WeakPolarHBondContact O-CG 3.35Å; A618-R622 PolarHBondContact O-N 3.12Å; A618-R622 VanDerWaalsContact O-N 3.11Å
619	Y	93.6	Very high	90.9	Very high	6 Å²	6	73.1 Å²	73.1	2%	0.024	35%	0.354	C	S	.	.	H	α-helix	trans	-59.7	-52.3	174.6	-172.1	-94.2	0	0	0	111.4	F459 T498 D499 I502 V615 Y616 N617 Q621 R622 R623	F459-Y619 HydrophobicContact CB-CD2 3.81Å; F459-Y619 HydrophobicContact CB-CE2 4.28Å; F459-Y619 HydrophobicContact CD1-CE2 4.47Å; F459-Y619 WeakPolarHBondContact O-CD2 3.45Å; F459-Y619 WeakPolarHBondContact O-CE2 3.38Å; T498-Y619 PolarHBondContact OG1-OH 3.42Å; D499-Y619 WeakPolarHBondContact CA-OH 3.44Å; D499-Y619 PolarHBondContact N-OH 3.01Å; D499-Y619 VanDerWaalsContact N-OH 3.14Å; D499-Y619 WeakPolarHBondContact OD1-CE1 3.2Å; D499-Y619 PolarHBondContact OD1-OH 3.32Å; I502-Y619 HydrophobicContact CD1-CD1 3.7Å; I502-Y619 HydrophobicContact CD1-CD2 4.09Å; I502-Y619 HydrophobicContact CD1-CE1 4.39Å; I502-Y619 HydrophobicContact CD1-CG 3.51Å; I502-Y619 HydrophobicContact CG2-CD1 3.87Å; I502-Y619 HydrophobicContact CG2-CE1 3.75Å; V615-Y619 WeakPolarHBondContact O-CB 3.49Å; V615-Y619 PolarHBondContact O-N 3.09Å; Y616-Y619 WeakPolarHBondContact O-CB 3.32Å; Y616-Y619 PolarHBondContact O-N 3.06Å; N617-Y619 VanDerWaalsContact C-N 3.32Å; N617-Y619 PolarHBondContact O-N 3.18Å; Y619-Q621 VanDerWaalsContact C-N 3.32Å; Y619-Q621 PolarHBondContact O-N 2.63Å; Y619-R622 PolarHBondContact O-N 2.83Å; Y619-R623 HydrophobicContact CD1-CG 3.9Å; Y619-R623 HydrophobicContact CE1-CG 3.63Å; Y619-R623 WeakPolarHBondContact O-CG 3.49Å; Y619-R623 PolarHBondContact O-N 3.22Å
620	M	92.9	Very high	90.8	Very high	55 Å²	55	71.7 Å²	71.7	27%	0.271	35%	0.354	S	S	.	.	H	α-helix	trans	-63.5	-37.8	-177.9	-67	-61.2	-78.4	0	0	112.1	Y616 N617 R623 Q624	Y616-M620 HydrophobicContact CD1-CG 4.19Å; Y616-M620 HydrophobicContact CD2-CG 4.5Å; Y616-M620 HydrophobicContact CE1-CG 3.78Å; Y616-M620 HydrophobicContact CE2-CG 4.13Å; Y616-M620 HydrophobicContact CE2-SD 4.39Å; Y616-M620 VanDerWaalsContact O-CG 3.32Å; Y616-M620 WeakPolarHBondContact O-CG 3.45Å; Y616-M620 PolarHBondContact O-N 3.07Å; N617-M620 PolarHBondContact O-N 3.39Å; M620-R623 PolarHBondContact O-N 3.38Å; M620-Q624 WeakPolarHBondContact O-CB 3.45Å; M620-Q624 VanDerWaalsContact O-CG 3.3Å; M620-Q624 WeakPolarHBondContact O-CG 3.49Å; M620-Q624 PolarHBondContact O-N 3.45Å
621	Q	92.8	Very high	90.7	Very high	130 Å²	130	70.2 Å²	70.2	61%	0.607	34%	0.344	S	S	*	.	H	α-helix	trans	-62.1	-44.4	174.3	-75	173.8	6.3	0	0	112.1	N617 Y619 Q624 A625	N617-Q621 WeakPolarHBondContact O-CB 3.41Å; N617-Q621 VanDerWaalsContact O-CG 3.27Å; N617-Q621 WeakPolarHBondContact O-CG 3.37Å; N617-Q621 PolarHBondContact O-N 3.23Å; Y619-Q621 VanDerWaalsContact C-N 3.32Å; Y619-Q621 PolarHBondContact O-N 2.63Å; Q621-Q624 PolarHBondContact O-N 3.04Å; Q621-A625 PolarHBondContact O-N 3.34Å
622	R	91.3	Very high	90.4	Very high	92 Å²	92	74.4 Å²	74.4	35%	0.347	36%	0.364	S	S	.	.	H	α-helix	trans	-60.5	-46.2	174.5	-73.1	-170.4	-67.2	-121.1	1.4	111.6	F459 A618 Y619 Q624 A625 E626	F459-R622 PolarHBondContact O-NH2 3.02Å; A618-R622 WeakPolarHBondContact O-CG 3.35Å; A618-R622 PolarHBondContact O-N 3.12Å; A618-R622 VanDerWaalsContact O-N 3.11Å; Y619-R622 PolarHBondContact O-N 2.83Å; R622-Q624 VanDerWaalsContact C-N 3.26Å; R622-Q624 PolarHBondContact O-N 3.44Å; R622-A625 PolarHBondContact O-N 3.32Å; R622-A625 VanDerWaalsContact O-N 3.09Å; R622-E626 WeakPolarHBondContact O-CG 3.45Å; R622-E626 PolarHBondContact O-N 3.36Å
623	R	88.5	Confident	90.2	Very high	38 Å²	38	79.4 Å²	79.4	14%	0.143	39%	0.389	C	S	.	.	H	α-helix	trans	-63.9	-30.9	177.9	-63	-59.3	-72.5	146.3	-13.6	113	E495 D499 Y619 M620 E626 R627	E495-R623 VanDerWaalsContact CD-NH1 3.31Å; E495-R623 IonicContact OE1-CZ 3.76Å; E495-R623 IonicContact OE1-NE 2.75Å; E495-R623 IonicContact OE1-NH1 2.74Å; E495-R623 PolarHBondContact OE1-NH1 3.39Å; E495-R623 IonicContact OE1-NH2 3.19Å; E495-R623 IonicContact OE2-NH1 3.78Å; E495-R623 IonicContact OE2-NH2 2.85Å; D499-R623 WeakPolarHBondContact OD1-CD 3.34Å; D499-R623 IonicContact OD1-CZ 2.82Å; D499-R623 IonicContact OD1-NE 2.79Å; D499-R623 PolarHBondContact OD1-NE 3.11Å; D499-R623 IonicContact OD1-NH2 3.89Å; D499-R623 IonicContact OD2-CZ 3.11Å; D499-R623 IonicContact OD2-NE 3.57Å; D499-R623 PolarHBondContact OD2-NE 3.1Å; D499-R623 IonicContact OD2-NH2 3.76Å; D499-R623 PolarHBondContact OD2-NH2 3.31Å; Y619-R623 HydrophobicContact CD1-CG 3.9Å; Y619-R623 HydrophobicContact CE1-CG 3.63Å; Y619-R623 WeakPolarHBondContact O-CG 3.49Å; Y619-R623 PolarHBondContact O-N 3.22Å; M620-R623 PolarHBondContact O-N 3.38Å; R623-E626 IonicContact CZ-OE2 3.41Å; R623-E626 IonicContact NH1-OE2 2.66Å; R623-E626 PolarHBondContact NH1-OE2 3.2Å; R623-R627 WeakPolarHBondContact O-CD 3.4Å; R623-R627 VanDerWaalsContact O-CG 3.28Å; R623-R627 WeakPolarHBondContact O-CG 3.49Å
624	Q	87.2	Confident	89.9	Confident	133 Å²	133	81.9 Å²	81.9	62%	0.621	40%	0.4	S	S	*	.	H	α-helix	trans	-72.4	-35.3	172.9	-75.9	175.3	0.8	0	0	112.3	M620 Q621 R622	M620-Q624 WeakPolarHBondContact O-CB 3.45Å; M620-Q624 VanDerWaalsContact O-CG 3.3Å; M620-Q624 WeakPolarHBondContact O-CG 3.49Å; M620-Q624 PolarHBondContact O-N 3.45Å; Q621-Q624 PolarHBondContact O-N 3.04Å; R622-Q624 VanDerWaalsContact C-N 3.26Å; R622-Q624 PolarHBondContact O-N 3.44Å
625	A	88.6	Confident	89.6	Confident	87 Å²	87	80.2 Å²	80.2	72%	0.719	39%	0.388	S	S	*	.	H	α-helix	trans	-74.9	-25	178.3	0	0	0	0	0	113.6	Q621 R622	Q621-A625 PolarHBondContact O-N 3.34Å; R622-A625 PolarHBondContact O-N 3.32Å; R622-A625 VanDerWaalsContact O-N 3.09Å
626	E	81.9	Confident	89.2	Confident	106 Å²	106	85.8 Å²	85.8	50%	0.495	41%	0.413	S	S	.	.			trans	-82.7	-16.1	177.3	-71.1	169	169.6	0	0	113.6	R622 R623	R622-E626 WeakPolarHBondContact O-CG 3.45Å; R622-E626 PolarHBondContact O-N 3.36Å; R623-E626 IonicContact CZ-OE2 3.41Å; R623-E626 IonicContact NH1-OE2 2.66Å; R623-E626 PolarHBondContact NH1-OE2 3.2Å
627	R	69.9	Low	88.7	Confident	243 Å²	243	91.4 Å²	91.4	92%	0.917	44%	0.442	S	S	*	.			trans	-93.4	0	176.5	-73	174.3	-176.4	-171.5	2.6	110.6	R623	R623-R627 WeakPolarHBondContact O-CD 3.4Å; R623-R627 VanDerWaalsContact O-CG 3.28Å; R623-R627 WeakPolarHBondContact O-CG 3.49Å

Retrieved 627 of 627 residues in 286.4 ms (Link to these results)

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