A0A077ZGT8_TRITR Loading...

NADPH cytochrome P450 reductase

AlphaFold DB , UniProt , Accession A0A077ZGT8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 513 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	41.4	Very low	41	Very low	236 Å²	236	143.3 Å²	143.3	100%	1.163	78%	0.779	S	S	*	*				0	126.1	0	-89	156.6	67.8	0	0	106.6	E3	M1-E3 PolarHBondContact O-N 3.36Å
2	S	42	Very low	42.3	Very low	108 Å²	108	140.8 Å²	140.8	76%	0.755	78%	0.781	S	S	*	*			trans	-54.3	120.2	172	44.1	0	0	0	0	110
3	E	38.2	Very low	44	Very low	185 Å²	185	148.2 Å²	148.2	86%	0.864	79%	0.79	S	S	*	*			trans	-112.1	118.5	159.1	-81.9	-175.9	165.1	0	0	107.4	M1 V5	M1-E3 PolarHBondContact O-N 3.36Å; E3-V5 PolarHBondContact O-N 3.36Å
4	D	41	Very low	45.9	Very low	139 Å²	139	143.9 Å²	143.9	74%	0.743	77%	0.766	S	S	*	*			trans	-65.4	115.4	-171	-64.7	-53.5	0	0	0	111.1	T6	D4-T6 VanDerWaalsContact C-N 3.32Å; D4-T6 PolarHBondContact O-N 2.89Å
5	V	44.3	Very low	48.3	Very low	125 Å²	125	138.2 Å²	138.2	76%	0.758	74%	0.742	S	S	*	*			trans	-77.3	91.6	164.2	-178.5	0	0	0	0	107	E3 L7	E3-V5 PolarHBondContact O-N 3.36Å; V5-L7 VanDerWaalsContact C-N 3.32Å; V5-L7 HydrophobicContact CG1-CD1 4.13Å; V5-L7 PolarHBondContact O-N 3.01Å
6	T	38.4	Very low	50.7	Low	116 Å²	116	137.3 Å²	137.3	71%	0.712	74%	0.743	S	S	*	*			trans	-66.7	89.5	170.9	53	0	0	0	0	109.4	D4 N8	D4-T6 VanDerWaalsContact C-N 3.32Å; D4-T6 PolarHBondContact O-N 2.89Å; T6-N8 PolarHBondContact O-N 2.92Å
7	L	39.9	Very low	52.8	Low	127 Å²	127	136.1 Å²	136.1	67%	0.665	74%	0.735	S	S	*	*			trans	-71.2	103.3	165.5	-102.2	120.1	0	0	0	108.4	V5 W9	V5-L7 VanDerWaalsContact C-N 3.32Å; V5-L7 HydrophobicContact CG1-CD1 4.13Å; V5-L7 PolarHBondContact O-N 3.01Å; L7-W9 VanDerWaalsContact C-N 3.35Å; L7-W9 PolarHBondContact O-N 3.06Å
8	N	36.7	Very low	54.7	Low	140 Å²	140	131.9 Å²	131.9	75%	0.749	71%	0.713	S	S	*	*			trans	-65.3	91.3	169.3	-79.7	-20.4	0	0	0	110	T6 T10	T6-N8 PolarHBondContact O-N 2.92Å; N8-T10 PolarHBondContact O-N 3.07Å
9	W	38.2	Very low	56.5	Low	218 Å²	218	127.8 Å²	127.8	83%	0.826	69%	0.694	S	S	*	*			trans	-78.8	68.2	165	-76.7	77.8	0	0	0	109.7	L7	L7-W9 VanDerWaalsContact C-N 3.35Å; L7-W9 PolarHBondContact O-N 3.06Å
10	T	42	Very low	58.3	Low	129 Å²	129	125.1 Å²	125.1	79%	0.791	68%	0.681	S	S	*	*			trans	-127.4	66.7	171.2	61	0	0	0	0	110.1	N8	N8-T10 PolarHBondContact O-N 3.07Å
11	G	48.7	Very low	59.8	Low	53 Å²	53	123.4 Å²	123.4	55%	0.546	67%	0.671	S	S	.	*			trans	-142.9	103.2	160.6	0	0	0	0	0	106.5	W13	G11-W13 VanDerWaalsContact O-CD1 3.26Å; G11-W13 PolarHBondContact O-N 3.2Å
12	S	57.4	Low	62.3	Low	114 Å²	114	116.3 Å²	116.3	80%	0.797	64%	0.637	S	S	*	*			trans	-63.1	112.7	174	61.6	0	0	0	0	107.7	L14	S12-L14 PolarHBondContact O-N 3.45Å
13	W	63.3	Low	64.8	Low	237 Å²	237	116.1 Å²	116.1	90%	0.898	63%	0.627	S	S	*	*	S	Bend	trans	-65.4	-3	-176.4	-87.6	65.4	0	0	0	114.6	G11	G11-W13 VanDerWaalsContact O-CD1 3.26Å; G11-W13 PolarHBondContact O-N 3.2Å
14	L	70.6	Confident	67.5	Low	87 Å²	87	112.3 Å²	112.3	46%	0.455	61%	0.612	S	S	.	*	S	Bend	trans	-118.4	120.2	-177.9	-68.6	160	0	0	0	108.4	S12 D18 L22	S12-L14 PolarHBondContact O-N 3.45Å; L14-D18 HydrophobicContact CB-CB 4.26Å; L14-D18 HydrophobicContact CD2-CB 3.66Å; L14-L22 HydrophobicContact CD2-CD1 4Å
15	S	83	Confident	70.1	Confident	59 Å²	59	110 Å²	110	41%	0.413	60%	0.602	S	S	.	*			trans	-65.5	160.4	167	73.1	0	0	0	0	109.6	L17 D18 C19	S15-L17 PolarHBondContact O-N 3.26Å; S15-L17 VanDerWaalsContact O-N 3.15Å; S15-D18 VanDerWaalsContact CB-OD2 3.3Å; S15-D18 WeakPolarHBondContact CB-OD2 3.29Å; S15-D18 PolarHBondContact N-OD2 3.17Å; S15-D18 PolarHBondContact O-N 3.38Å; S15-D18 PolarHBondContact OG-N 3.38Å; S15-D18 PolarHBondContact OG-OD2 2.87Å; S15-C19 PolarHBondContact O-N 3.36Å
16	V	85.9	Confident	72.5	Confident	124 Å²	124	108.6 Å²	108.6	75%	0.752	59%	0.59	S	S	*	*	H	α-helix	trans	-55.5	-33.4	175	178.6	0	0	0	0	111.2	C19 V20	V16-C19 PolarHBondContact O-N 3.31Å; V16-V20 WeakPolarHBondContact O-CG2 3.29Å; V16-V20 PolarHBondContact O-N 2.63Å; V16-V20 VanDerWaalsContact O-N 3.16Å
17	L	86.2	Confident	75.2	Confident	116 Å²	116	108.4 Å²	108.4	61%	0.607	58%	0.582	S	S	*	*	H	α-helix	trans	-66.3	-42.1	176.7	-175.1	67.9	0	0	0	112	S15 C19 V20 I21	S15-L17 PolarHBondContact O-N 3.26Å; S15-L17 VanDerWaalsContact O-N 3.15Å; L17-C19 VanDerWaalsContact C-N 3.3Å; L17-C19 PolarHBondContact O-N 2.72Å; L17-V20 PolarHBondContact O-N 3.42Å; L17-V20 VanDerWaalsContact O-N 3.16Å; L17-I21 HydrophobicContact CG-CD1 4.07Å; L17-I21 WeakPolarHBondContact O-CG1 3.41Å; L17-I21 PolarHBondContact O-N 3.48Å
18	D	87.5	Confident	77.8	Confident	62 Å²	62	108.3 Å²	108.3	33%	0.332	58%	0.581	S	S	.	*	H	α-helix	trans	-62.7	-40.8	178.3	-58	-47.3	0	0	0	111	L14 S15 V20 I21 L22	L14-D18 HydrophobicContact CB-CB 4.26Å; L14-D18 HydrophobicContact CD2-CB 3.66Å; S15-D18 VanDerWaalsContact CB-OD2 3.3Å; S15-D18 WeakPolarHBondContact CB-OD2 3.29Å; S15-D18 PolarHBondContact N-OD2 3.17Å; S15-D18 PolarHBondContact O-N 3.38Å; S15-D18 PolarHBondContact OG-N 3.38Å; S15-D18 PolarHBondContact OG-OD2 2.87Å; D18-V20 VanDerWaalsContact C-N 3.34Å; D18-V20 PolarHBondContact O-N 3.38Å; D18-I21 PolarHBondContact O-N 2.88Å; D18-L22 WeakPolarHBondContact O-CB 3.36Å; D18-L22 PolarHBondContact O-N 2.9Å
19	C	89.4	Confident	80.4	Confident	54 Å²	54	104.9 Å²	104.9	37%	0.365	57%	0.568	S	S	.	*	H	α-helix	trans	-60.9	-41.9	174.4	-67.5	0	0	0	0	112	S15 V16 L17 I23	S15-C19 PolarHBondContact O-N 3.36Å; V16-C19 PolarHBondContact O-N 3.31Å; L17-C19 VanDerWaalsContact C-N 3.3Å; L17-C19 PolarHBondContact O-N 2.72Å; C19-I23 WeakPolarHBondContact O-CB 3.33Å; C19-I23 WeakPolarHBondContact O-CD1 3.4Å; C19-I23 WeakPolarHBondContact O-CG1 3.48Å; C19-I23 PolarHBondContact O-N 3.07Å
20	V	91.1	Very high	83.1	Confident	72 Å²	72	99.1 Å²	99.1	44%	0.436	55%	0.552	S	S	.	*	H	α-helix	trans	-66	-43.2	178.3	172.4	0	0	0	0	111.4	V16 L17 D18 I23 L24	V16-V20 WeakPolarHBondContact O-CG2 3.29Å; V16-V20 PolarHBondContact O-N 2.63Å; V16-V20 VanDerWaalsContact O-N 3.16Å; L17-V20 PolarHBondContact O-N 3.42Å; L17-V20 VanDerWaalsContact O-N 3.16Å; D18-V20 VanDerWaalsContact C-N 3.34Å; D18-V20 PolarHBondContact O-N 3.38Å; V20-I23 PolarHBondContact O-N 3.06Å; V20-L24 HydrophobicContact CG1-CD1 4.2Å; V20-L24 WeakPolarHBondContact O-CG 3.37Å; V20-L24 PolarHBondContact O-N 2.93Å
21	I	91.8	Very high	85.6	Confident	90 Å²	90	99.8 Å²	99.8	46%	0.462	54%	0.544	S	S	.	.	H	α-helix	trans	-64.6	-45.5	178.4	-66.3	169	0	0	0	110.6	L17 D18 I23 L24 V25	L17-I21 HydrophobicContact CG-CD1 4.07Å; L17-I21 WeakPolarHBondContact O-CG1 3.41Å; L17-I21 PolarHBondContact O-N 3.48Å; D18-I21 PolarHBondContact O-N 2.88Å; I21-I23 VanDerWaalsContact C-N 3.33Å; I21-I23 PolarHBondContact O-N 3.41Å; I21-L24 PolarHBondContact O-N 3.18Å; I21-V25 HydrophobicContact CG2-CG2 4.45Å; I21-V25 WeakPolarHBondContact O-CG2 3.46Å; I21-V25 PolarHBondContact O-N 2.82Å
22	L	93.2	Very high	87.7	Confident	87 Å²	87	105 Å²	105	46%	0.455	55%	0.548	S	S	.	.	H	α-helix	trans	-58.6	-44	176.3	-91.8	154.1	0	0	0	111.9	L14 D18 L24 V25 I26	L14-L22 HydrophobicContact CD2-CD1 4Å; D18-L22 WeakPolarHBondContact O-CB 3.36Å; D18-L22 PolarHBondContact O-N 2.9Å; L22-L24 PolarHBondContact O-N 3.15Å; L22-V25 PolarHBondContact O-N 3.33Å; L22-I26 WeakPolarHBondContact O-CB 3.33Å; L22-I26 WeakPolarHBondContact O-CD1 3.1Å; L22-I26 VanDerWaalsContact O-CG1 3.22Å; L22-I26 WeakPolarHBondContact O-CG1 3.49Å; L22-I26 PolarHBondContact O-N 3.35Å
23	I	94.3	Very high	89.3	Confident	104 Å²	104	106 Å²	106	53%	0.533	54%	0.536	S	S	.	.	H	α-helix	trans	-61.8	-44	176.5	-70.5	164.8	0	0	0	110.9	C19 V20 I21 I26 M27	C19-I23 WeakPolarHBondContact O-CB 3.33Å; C19-I23 WeakPolarHBondContact O-CD1 3.4Å; C19-I23 WeakPolarHBondContact O-CG1 3.48Å; C19-I23 PolarHBondContact O-N 3.07Å; V20-I23 PolarHBondContact O-N 3.06Å; I21-I23 VanDerWaalsContact C-N 3.33Å; I21-I23 PolarHBondContact O-N 3.41Å; I23-I26 PolarHBondContact O-N 3.06Å; I23-M27 HydrophobicContact CG2-CG 4.3Å; I23-M27 WeakPolarHBondContact O-CB 3.04Å; I23-M27 VanDerWaalsContact O-CG 3.23Å; I23-M27 WeakPolarHBondContact O-CG 3.37Å; I23-M27 PolarHBondContact O-N 3.02Å
24	L	94.9	Very high	90.6	Very high	106 Å²	106	99.2 Å²	99.2	56%	0.555	52%	0.517	S	S	*	.	H	α-helix	trans	-62.9	-43.2	178.3	-76.2	169.8	0	0	0	112.1	V20 I21 L22 M27 L28	V20-L24 HydrophobicContact CG1-CD1 4.2Å; V20-L24 WeakPolarHBondContact O-CG 3.37Å; V20-L24 PolarHBondContact O-N 2.93Å; I21-L24 PolarHBondContact O-N 3.18Å; L22-L24 PolarHBondContact O-N 3.15Å; L24-M27 PolarHBondContact O-N 3.45Å; L24-L28 WeakPolarHBondContact O-CB 3.36Å; L24-L28 PolarHBondContact O-N 3.19Å
25	V	95	Very high	91.4	Very high	90 Å²	90	101 Å²	101	55%	0.545	52%	0.518	S	S	.	.	H	α-helix	trans	-64.5	-41.8	177.4	173.3	0	0	0	0	111.3	I21 L22 L28 S29	I21-V25 HydrophobicContact CG2-CG2 4.45Å; I21-V25 WeakPolarHBondContact O-CG2 3.46Å; I21-V25 PolarHBondContact O-N 2.82Å; L22-V25 PolarHBondContact O-N 3.33Å; V25-L28 PolarHBondContact O-N 3.32Å; V25-S29 WeakPolarHBondContact O-CB 3.35Å; V25-S29 PolarHBondContact O-N 3.47Å; V25-S29 PolarHBondContact O-OG 2.59Å; V25-S29 VanDerWaalsContact O-OG 3.07Å
26	I	95.2	Very high	91.3	Very high	96 Å²	96	101 Å²	101	49%	0.492	52%	0.518	S	S	.	.	H	α-helix	trans	-62.9	-45.5	175.4	-68.4	165.8	0	0	0	110.2	L22 I23 L28 S29 M30	L22-I26 WeakPolarHBondContact O-CB 3.33Å; L22-I26 WeakPolarHBondContact O-CD1 3.1Å; L22-I26 VanDerWaalsContact O-CG1 3.22Å; L22-I26 WeakPolarHBondContact O-CG1 3.49Å; L22-I26 PolarHBondContact O-N 3.35Å; I23-I26 PolarHBondContact O-N 3.06Å; I26-L28 PolarHBondContact O-N 3.43Å; I26-S29 WeakPolarHBondContact CA-OG 3.38Å; I26-S29 PolarHBondContact O-N 3.42Å; I26-S29 PolarHBondContact O-OG 3.27Å; I26-M30 VanDerWaalsContact O-CB 3.25Å; I26-M30 WeakPolarHBondContact O-CB 3.44Å; I26-M30 PolarHBondContact O-N 2.85Å
27	M	94.7	Very high	91	Very high	111 Å²	111	99.6 Å²	99.6	55%	0.547	50%	0.504	S	S	.	.	H	α-helix	trans	-62.3	-41.5	177.6	-73.2	-67.5	-67.6	0	0	112.5	I23 L24 F31	I23-M27 HydrophobicContact CG2-CG 4.3Å; I23-M27 WeakPolarHBondContact O-CB 3.04Å; I23-M27 VanDerWaalsContact O-CG 3.23Å; I23-M27 WeakPolarHBondContact O-CG 3.37Å; I23-M27 PolarHBondContact O-N 3.02Å; L24-M27 PolarHBondContact O-N 3.45Å; M27-F31 VanDerWaalsContact O-CB 3.25Å; M27-F31 WeakPolarHBondContact O-CB 3.39Å; M27-F31 PolarHBondContact O-N 3.22Å
28	L	94.8	Very high	90.6	Very high	125 Å²	125	100.9 Å²	100.9	65%	0.654	50%	0.501	S	S	*	.	H	α-helix	trans	-68.8	-41.8	179	-126	135.8	0	0	0	111.9	L24 V25 I26 F31 Y32	L24-L28 WeakPolarHBondContact O-CB 3.36Å; L24-L28 PolarHBondContact O-N 3.19Å; V25-L28 PolarHBondContact O-N 3.32Å; I26-L28 PolarHBondContact O-N 3.43Å; L28-F31 PolarHBondContact O-N 3.38Å; L28-Y32 WeakPolarHBondContact O-CB 3.23Å; L28-Y32 PolarHBondContact O-N 3.24Å
29	S	92.3	Very high	89.7	Confident	68 Å²	68	100.8 Å²	100.8	48%	0.476	50%	0.499	S	S	.	.	H	α-helix	trans	-66.5	-39.6	175.7	64.2	0	0	0	0	112.1	V25 I26 Y32 Y33	V25-S29 WeakPolarHBondContact O-CB 3.35Å; V25-S29 PolarHBondContact O-N 3.47Å; V25-S29 PolarHBondContact O-OG 2.59Å; V25-S29 VanDerWaalsContact O-OG 3.07Å; I26-S29 WeakPolarHBondContact CA-OG 3.38Å; I26-S29 PolarHBondContact O-N 3.42Å; I26-S29 PolarHBondContact O-OG 3.27Å; S29-Y32 PolarHBondContact O-N 3.13Å; S29-Y33 WeakPolarHBondContact O-CB 3.42Å; S29-Y33 PolarHBondContact O-N 3.2Å
30	M	94.1	Very high	88.4	Confident	97 Å²	97	103.5 Å²	103.5	48%	0.478	51%	0.506	S	S	.	.	H	α-helix	trans	-69.4	-39.4	176.5	-158.3	176.8	78.3	0	0	111.4	I26 Y33 L34	I26-M30 VanDerWaalsContact O-CB 3.25Å; I26-M30 WeakPolarHBondContact O-CB 3.44Å; I26-M30 PolarHBondContact O-N 2.85Å; M30-Y33 PolarHBondContact O-N 3.13Å; M30-L34 HydrophobicContact CG-CD1 4.39Å; M30-L34 WeakPolarHBondContact O-CB 3.49Å; M30-L34 VanDerWaalsContact O-CG 3.26Å; M30-L34 WeakPolarHBondContact O-CG 3.31Å; M30-L34 PolarHBondContact O-N 3.37Å
31	F	94.2	Very high	87	Confident	144 Å²	144	104.5 Å²	104.5	63%	0.632	51%	0.506	S	S	*	.	H	α-helix	trans	-62.1	-46.2	172.2	178.8	-95.4	0	0	0	111.5	M27 L28 Y33 L34 Y35	M27-F31 VanDerWaalsContact O-CB 3.25Å; M27-F31 WeakPolarHBondContact O-CB 3.39Å; M27-F31 PolarHBondContact O-N 3.22Å; L28-F31 PolarHBondContact O-N 3.38Å; F31-Y33 PolarHBondContact O-N 3.25Å; F31-L34 PolarHBondContact O-N 3.18Å; F31-Y35 VanDerWaalsContact O-CB 3.24Å; F31-Y35 WeakPolarHBondContact O-CB 3.21Å; F31-Y35 PolarHBondContact O-N 3.31Å
32	Y	92.2	Very high	85.4	Confident	161 Å²	161	106.8 Å²	106.8	63%	0.631	51%	0.509	S	S	*	.	H	α-helix	trans	-62.1	-42.2	176.6	-179.2	-99.2	0	0	0	112	L28 S29 Y35 S36	L28-Y32 WeakPolarHBondContact O-CB 3.23Å; L28-Y32 PolarHBondContact O-N 3.24Å; S29-Y32 PolarHBondContact O-N 3.13Å; Y32-Y35 PolarHBondContact O-N 3.29Å; Y32-S36 VanDerWaalsContact O-CB 3.26Å; Y32-S36 WeakPolarHBondContact O-CB 3.39Å; Y32-S36 PolarHBondContact O-N 3.24Å
33	Y	92.4	Very high	83.5	Confident	136 Å²	136	108.1 Å²	108.1	53%	0.533	51%	0.512	S	S	.	.	H	α-helix	trans	-62.8	-45.5	175.7	179.7	-96.6	0	0	0	112.2	S29 M30 F31 S36 Q37	S29-Y33 WeakPolarHBondContact O-CB 3.42Å; S29-Y33 PolarHBondContact O-N 3.2Å; M30-Y33 PolarHBondContact O-N 3.13Å; F31-Y33 PolarHBondContact O-N 3.25Å; Y33-S36 PolarHBondContact O-N 3.18Å; Y33-Q37 HydrophobicContact CE1-CG 4.07Å; Y33-Q37 PolarHBondContact O-N 3.3Å; Y33-Q37 PolarHBondContact OH-NE2 3Å
34	L	90.7	Very high	81.2	Confident	95 Å²	95	109 Å²	109	50%	0.497	51%	0.512	S	S	.	.	H	α-helix	trans	-66.8	-38.4	177.2	-72.1	169.2	0	0	0	112.1	M30 F31 Q37 Y38	M30-L34 HydrophobicContact CG-CD1 4.39Å; M30-L34 WeakPolarHBondContact O-CB 3.49Å; M30-L34 VanDerWaalsContact O-CG 3.26Å; M30-L34 WeakPolarHBondContact O-CG 3.31Å; M30-L34 PolarHBondContact O-N 3.37Å; F31-L34 PolarHBondContact O-N 3.18Å; L34-Q37 PolarHBondContact O-N 2.8Å; L34-Y38 VanDerWaalsContact O-CB 3.27Å; L34-Y38 WeakPolarHBondContact O-CB 3.33Å; L34-Y38 PolarHBondContact O-N 2.89Å
35	Y	87.6	Confident	78.6	Confident	124 Å²	124	110.8 Å²	110.8	49%	0.486	52%	0.522	S	S	.	.	H	α-helix	trans	-65.5	-43.4	174.9	-178.3	-103.9	0	0	0	111.4	F31 Y32 Y38 E39	F31-Y35 VanDerWaalsContact O-CB 3.24Å; F31-Y35 WeakPolarHBondContact O-CB 3.21Å; F31-Y35 PolarHBondContact O-N 3.31Å; Y32-Y35 PolarHBondContact O-N 3.29Å; Y35-Y38 PolarHBondContact O-N 3.06Å; Y35-E39 HydrophobicContact CE1-CG 4.17Å; Y35-E39 WeakPolarHBondContact O-CB 3.38Å; Y35-E39 PolarHBondContact O-N 3.22Å
36	S	80.2	Confident	75.5	Confident	59 Å²	59	112.3 Å²	112.3	41%	0.413	52%	0.524	S	S	.	.	H	α-helix	trans	-62.6	-42	174.3	172.9	0	0	0	0	112.1	Y32 Y33 H40	Y32-S36 VanDerWaalsContact O-CB 3.26Å; Y32-S36 WeakPolarHBondContact O-CB 3.39Å; Y32-S36 PolarHBondContact O-N 3.24Å; Y33-S36 PolarHBondContact O-N 3.18Å; S36-H40 VanDerWaalsContact O-CB 3.29Å; S36-H40 WeakPolarHBondContact O-CB 3.29Å; S36-H40 PolarHBondContact O-N 3.28Å
37	Q	78.5	Confident	72.4	Confident	95 Å²	95	111.8 Å²	111.8	44%	0.444	53%	0.527	S	S	.	.	H	α-helix	trans	-66.6	-39.3	173.7	-78.1	-152.7	-26.1	0	0	112.5	Y33 L34 H40 E41	Y33-Q37 HydrophobicContact CE1-CG 4.07Å; Y33-Q37 PolarHBondContact O-N 3.3Å; Y33-Q37 PolarHBondContact OH-NE2 3Å; L34-Q37 PolarHBondContact O-N 2.8Å; Q37-H40 PolarHBondContact O-N 2.89Å; Q37-E41 WeakPolarHBondContact O-CB 3.25Å; Q37-E41 WeakPolarHBondContact O-CG 2.68Å; Q37-E41 PolarHBondContact O-N 3.13Å
38	Y	77.6	Confident	69.3	Low	143 Å²	143	111.6 Å²	111.6	56%	0.561	54%	0.536	S	S	*	.	H	α-helix	trans	-66.4	-42.5	178.2	178.9	-100.8	0	0	0	112.4	L34 Y35 E41 R42	L34-Y38 VanDerWaalsContact O-CB 3.27Å; L34-Y38 WeakPolarHBondContact O-CB 3.33Å; L34-Y38 PolarHBondContact O-N 2.89Å; Y35-Y38 PolarHBondContact O-N 3.06Å; Y38-E41 PolarHBondContact O-N 3.28Å; Y38-R42 HydrophobicContact CE1-CG 4.18Å; Y38-R42 PolarHBondContact O-N 2.75Å
39	E	69.3	Low	66.4	Low	59 Å²	59	111.6 Å²	111.6	28%	0.276	53%	0.532	S	S	.	.	H	α-helix	trans	-58.1	-50.4	169.5	-88	-75.9	132	0	0	110.3	Y35 E41 R42 H43	Y35-E39 HydrophobicContact CE1-CG 4.17Å; Y35-E39 WeakPolarHBondContact O-CB 3.38Å; Y35-E39 PolarHBondContact O-N 3.22Å; E39-E41 VanDerWaalsContact C-N 3.34Å; E39-E41 PolarHBondContact O-N 3.35Å; E39-R42 PolarHBondContact O-N 3.37Å; E39-R42 VanDerWaalsContact O-N 3.17Å; E39-H43 PolarHBondContact O-CD2 2.95Å; E39-H43 PolarHBondContact O-N 3.31Å; E39-H43 IonicContact OE2-CD2 3.35Å; E39-H43 IonicContact OE2-NE2 2.9Å; E39-H43 PolarHBondContact OE2-NE2 3.07Å
40	H	62	Low	63.2	Low	112 Å²	112	115 Å²	115	52%	0.519	54%	0.544	S	S	.	.	H	α-helix	trans	-60.1	-39.3	-179.8	-168.7	69.6	0	0	0	113.4	S36 Q37 H43 K44	S36-H40 VanDerWaalsContact O-CB 3.29Å; S36-H40 WeakPolarHBondContact O-CB 3.29Å; S36-H40 PolarHBondContact O-N 3.28Å; Q37-H40 PolarHBondContact O-N 2.89Å; H40-H43 PolarHBondContact O-N 2.98Å; H40-K44 VanDerWaalsContact NE2-CE 3.31Å; H40-K44 WeakPolarHBondContact NE2-CE 3.3Å; H40-K44 PolarHBondContact O-N 3.29Å; H40-K44 VanDerWaalsContact O-N 3.1Å
41	E	62.6	Low	60.2	Low	93 Å²	93	115.4 Å²	115.4	44%	0.435	55%	0.554	S	S	.	*	H	α-helix	trans	-73.8	-34.8	175.6	-73.6	-67.3	134.3	0	0	112.7	Q37 Y38 E39 H43 K44 L45	Q37-E41 WeakPolarHBondContact O-CB 3.25Å; Q37-E41 WeakPolarHBondContact O-CG 2.68Å; Q37-E41 PolarHBondContact O-N 3.13Å; Y38-E41 PolarHBondContact O-N 3.28Å; E39-E41 VanDerWaalsContact C-N 3.34Å; E39-E41 PolarHBondContact O-N 3.35Å; E41-H43 PolarHBondContact O-N 3.49Å; E41-K44 PolarHBondContact O-N 3.24Å; E41-K44 IonicContact OE1-NZ 3.17Å; E41-K44 PolarHBondContact OE1-NZ 3.38Å; E41-L45 PolarHBondContact O-N 3.06Å
42	R	58.4	Low	57	Low	138 Å²	138	115.8 Å²	115.8	52%	0.521	56%	0.561	S	S	.	*	H	α-helix	trans	-59.7	-37.8	169.2	-87.4	-172.1	78	-171	5.2	111.5	Y38 E39 L45 M46	Y38-R42 HydrophobicContact CE1-CG 4.18Å; Y38-R42 PolarHBondContact O-N 2.75Å; E39-R42 PolarHBondContact O-N 3.37Å; E39-R42 VanDerWaalsContact O-N 3.17Å; R42-L45 PolarHBondContact O-N 3.08Å; R42-M46 PolarHBondContact O-N 2.88Å
43	H	51.9	Low	53.8	Low	114 Å²	114	113.5 Å²	113.5	53%	0.528	56%	0.564	S	S	.	*	H	α-helix	trans	-71.3	-32.7	177	-71.6	-61	0	0	0	112.6	E39 H40 E41 M46	E39-H43 PolarHBondContact O-CD2 2.95Å; E39-H43 PolarHBondContact O-N 3.31Å; E39-H43 IonicContact OE2-CD2 3.35Å; E39-H43 IonicContact OE2-NE2 2.9Å; E39-H43 PolarHBondContact OE2-NE2 3.07Å; H40-H43 PolarHBondContact O-N 2.98Å; E41-H43 PolarHBondContact O-N 3.49Å; H43-M46 WeakPolarHBondContact O-CB 3.4Å; H43-M46 PolarHBondContact O-N 3.03Å
44	K	47.3	Very low	50.7	Low	124 Å²	124	111.9 Å²	111.9	54%	0.539	57%	0.572	S	S	.	*	H	α-helix	trans	-70.4	-29.7	171.6	-73	-178.6	-168.1	162.1	0	114.2	H40 E41 M46	H40-K44 VanDerWaalsContact NE2-CE 3.31Å; H40-K44 WeakPolarHBondContact NE2-CE 3.3Å; H40-K44 PolarHBondContact O-N 3.29Å; H40-K44 VanDerWaalsContact O-N 3.1Å; E41-K44 PolarHBondContact O-N 3.24Å; E41-K44 IonicContact OE1-NZ 3.17Å; E41-K44 PolarHBondContact OE1-NZ 3.38Å; K44-M46 PolarHBondContact O-N 3.06Å
45	L	39.3	Very low	47.6	Very low	143 Å²	143	111.7 Å²	111.7	75%	0.749	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.6	-4.3	176.4	-78.3	161.4	0	0	0	113	E41 R42 P47	E41-L45 PolarHBondContact O-N 3.06Å; R42-L45 PolarHBondContact O-N 3.08Å; L45-P47 WeakPolarHBondContact O-CD 3.41Å
46	M	29.7	Very low	44.7	Very low	121 Å²	121	112.5 Å²	112.5	60%	0.596	59%	0.592	S	S	*	*	S	Bend	trans	-75	120.4	162.8	-65	-135.1	162.3	0	0	108.3	R42 H43 K44 S48	R42-M46 PolarHBondContact O-N 2.88Å; H43-M46 WeakPolarHBondContact O-CB 3.4Å; H43-M46 PolarHBondContact O-N 3.03Å; K44-M46 PolarHBondContact O-N 3.06Å; M46-S48 PolarHBondContact O-N 2.6Å; M46-S48 VanDerWaalsContact O-N 3.15Å
47	P	30.1	Very low	42.2	Very low	85 Å²	85	115 Å²	115	55%	0.552	60%	0.6	S	S	*	*			trans	-55.6	127.8	-179.9	2.3	-3.5	0	0	0	109.5	L45 F49	L45-P47 WeakPolarHBondContact O-CD 3.41Å; P47-F49 HydrophobicContact CB-CE1 4.24Å; P47-F49 HydrophobicContact CB-CZ 4.24Å; P47-F49 HydrophobicContact CG-CE1 3.99Å; P47-F49 HydrophobicContact CG-CE2 4.39Å; P47-F49 HydrophobicContact CG-CZ 3.71Å; P47-F49 WeakPolarHBondContact O-CD2 3.13Å; P47-F49 WeakPolarHBondContact O-CE2 3.32Å; P47-F49 WeakPolarHBondContact O-CG 3.42Å; P47-F49 PolarHBondContact O-N 2.95Å
48	S	29.3	Very low	39.7	Very low	107 Å²	107	117 Å²	117	75%	0.748	61%	0.613	S	S	*	*			trans	-55.6	105.7	166.7	164.5	0	0	0	0	108.1	M46 N50	M46-S48 PolarHBondContact O-N 2.6Å; M46-S48 VanDerWaalsContact O-N 3.15Å; S48-N50 PolarHBondContact O-N 3.32Å
49	F	35	Very low	37.4	Very low	126 Å²	126	114.8 Å²	114.8	55%	0.553	61%	0.611	S	S	*	*			trans	-85.9	97.6	179.8	-61.8	-74.3	0	0	0	108.3	P47 P51	P47-F49 HydrophobicContact CB-CE1 4.24Å; P47-F49 HydrophobicContact CB-CZ 4.24Å; P47-F49 HydrophobicContact CG-CE1 3.99Å; P47-F49 HydrophobicContact CG-CE2 4.39Å; P47-F49 HydrophobicContact CG-CZ 3.71Å; P47-F49 WeakPolarHBondContact O-CD2 3.13Å; P47-F49 WeakPolarHBondContact O-CE2 3.32Å; P47-F49 WeakPolarHBondContact O-CG 3.42Å; P47-F49 PolarHBondContact O-N 2.95Å; F49-P51 VanDerWaalsContact O-CD 3.24Å; F49-P51 WeakPolarHBondContact O-CD 3.36Å
50	N	25.7	Very low	35.5	Very low	139 Å²	139	115.8 Å²	115.8	74%	0.743	64%	0.637	S	S	*	*			trans	-67	116.8	163	-72.7	-27.6	0	0	0	107.7	S48 I52	S48-N50 PolarHBondContact O-N 3.32Å; N50-I52 PolarHBondContact O-N 3.38Å
51	P	30.9	Very low	34.4	Very low	106 Å²	106	119.2 Å²	119.2	69%	0.688	65%	0.651	S	S	*	*			trans	-61.7	140.5	172.2	24.8	-30.4	0	0	0	108.8	F49 V53	F49-P51 VanDerWaalsContact O-CD 3.24Å; F49-P51 WeakPolarHBondContact O-CD 3.36Å; P51-V53 PolarHBondContact O-N 2.98Å
52	I	25.4	Very low	33.9	Very low	151 Å²	151	123.8 Å²	123.8	77%	0.774	67%	0.672	S	S	*	*			trans	-57.6	108.2	171.3	-65.1	167.3	0	0	0	106.4	N50 S54	N50-I52 PolarHBondContact O-N 3.38Å; I52-S54 PolarHBondContact O-N 3Å
53	V	26.5	Very low	34.1	Very low	113 Å²	113	122.8 Å²	122.8	69%	0.685	67%	0.668	S	S	*	*			trans	-53.2	107.7	166.3	178.4	0	0	0	0	105.5	P51 S55	P51-V53 PolarHBondContact O-N 2.98Å; V53-S55 VanDerWaalsContact C-N 3.25Å; V53-S55 PolarHBondContact O-N 3.27Å
54	S	27.4	Very low	35	Very low	102 Å²	102	118.1 Å²	118.1	71%	0.713	65%	0.652	S	S	*	*			trans	-56.6	104.9	159.4	-74.2	0	0	0	0	104.7	I52 N56	I52-S54 PolarHBondContact O-N 3Å; S54-N56 PolarHBondContact O-N 3.08Å; S54-N56 VanDerWaalsContact O-N 3.14Å
55	S	25.4	Very low	36.7	Very low	92 Å²	92	114.5 Å²	114.5	64%	0.643	64%	0.642	S	S	*	*			trans	-35.5	120.9	178.7	51.3	0	0	0	0	109.2	V53 I57	V53-S55 VanDerWaalsContact C-N 3.25Å; V53-S55 PolarHBondContact O-N 3.27Å; S55-I57 VanDerWaalsContact C-N 3.32Å; S55-I57 PolarHBondContact O-N 3.29Å
56	N	25.8	Very low	38.7	Very low	140 Å²	140	107.9 Å²	107.9	75%	0.749	61%	0.607	S	S	*	*			trans	-30.4	91	176.9	-72.2	-13.5	0	0	0	111.9	S54 N58	S54-N56 PolarHBondContact O-N 3.08Å; S54-N56 VanDerWaalsContact O-N 3.14Å; N56-N58 PolarHBondContact O-N 3.03Å
57	I	28.7	Very low	41.3	Very low	113 Å²	113	102.2 Å²	102.2	58%	0.579	58%	0.58	S	S	*	*			trans	-86.2	85.8	158.4	-60.2	177.4	0	0	0	102.4	S55 N59 P272	S55-I57 VanDerWaalsContact C-N 3.32Å; S55-I57 PolarHBondContact O-N 3.29Å; I57-N59 PolarHBondContact O-N 2.96Å; I57-P272 HydrophobicContact CD1-CB 4.4Å; I57-P272 HydrophobicContact CD1-CG 4.25Å
58	N	26.3	Very low	43.8	Very low	136 Å²	136	99.6 Å²	99.6	73%	0.727	57%	0.568	S	S	*	*			trans	-53.6	91.4	159	-76.9	-7.1	0	0	0	106.3	N56 G60	N56-N58 PolarHBondContact O-N 3.03Å; N58-G60 PolarHBondContact O-N 3.24Å; N58-G60 VanDerWaalsContact O-N 3.09Å
59	N	29.5	Very low	46.3	Very low	96 Å²	96	96 Å²	96	51%	0.513	54%	0.54	S	S	.	.			trans	-55.5	115.4	147.2	-82.5	-19.6	0	0	0	103.8	I57 F61	I57-N59 PolarHBondContact O-N 2.96Å; N59-F61 PolarHBondContact O-N 3.01Å
60	G	28.7	Very low	48.7	Very low	80 Å²	80	90.1 Å²	90.1	83%	0.825	51%	0.514	S	S	*	.	S	Bend	trans	-66.3	50.6	-173	0	0	0	0	0	114.6	N58	N58-G60 PolarHBondContact O-N 3.24Å; N58-G60 VanDerWaalsContact O-N 3.09Å
61	F	39.7	Very low	51.5	Low	185 Å²	185	89.3 Å²	89.3	81%	0.811	50%	0.504	S	S	*	.			trans	-82.2	104.3	151.9	-78.3	-88.1	0	0	0	105.6	N59 R63	N59-F61 PolarHBondContact O-N 3.01Å; F61-R63 PolarHBondContact O-N 3.41Å; F61-R63 VanDerWaalsContact O-N 3.08Å
62	E	50.2	Low	54.1	Low	188 Å²	188	90.5 Å²	90.5	88%	0.879	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-51.3	119.2	160	-73.2	-177.9	161.7	0	0	107	G64	E62-G64 PolarHBondContact O-N 2.96Å
63	R	63.4	Low	56.9	Low	117 Å²	117	84.2 Å²	84.2	44%	0.442	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-57.1	129	174.2	-74.8	-177	173.2	-175.3	-2.4	107.2	F61 D148	F61-R63 PolarHBondContact O-N 3.41Å; F61-R63 VanDerWaalsContact O-N 3.08Å; R63-D148 IonicContact CZ-OD2 3.16Å; R63-D148 VanDerWaalsContact CZ-OD2 3.23Å; R63-D148 IonicContact NH1-OD2 3.79Å; R63-D148 PolarHBondContact NH1-OD2 3.13Å; R63-D148 IonicContact NH2-OD2 2.71Å; R63-D148 PolarHBondContact NH2-OD2 3.28Å
64	G	69.8	Low	59.6	Low	17 Å²	17	81 Å²	81	18%	0.175	47%	0.468	C	S	.	.	B	Isolated β-bridge	trans	-76.3	151.6	-177.2	0	0	0	0	0	110.9	E62 V66 F114	E62-G64 PolarHBondContact O-N 2.96Å; G64-V66 PolarHBondContact O-N 2.97Å; G64-F114 VanDerWaalsContact O-CD1 3.25Å; G64-F114 WeakPolarHBondContact O-CD1 3.33Å
65	S	82.9	Confident	62.5	Low	47 Å²	47	77.2 Å²	77.2	33%	0.329	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-75.1	124.4	169.3	174.6	0	0	0	0	110.9	G68 M69 E118	S65-G68 PolarHBondContact OG-N 3.49Å; S65-M69 WeakPolarHBondContact O-CB 3.44Å; S65-M69 PolarHBondContact O-N 2.89Å; S65-M69 VanDerWaalsContact O-N 3.08Å; S65-E118 WeakPolarHBondContact CA-OE2 3.47Å; S65-E118 WeakPolarHBondContact CB-OE2 3.42Å; S65-E118 PolarHBondContact OG-OE2 3.3Å
66	V	82.9	Confident	65.6	Low	4 Å²	4	75.1 Å²	75.1	2%	0.024	42%	0.421	C	S	.	.	H	α-helix	trans	-67.1	-45.5	178.6	-175.4	0	0	0	0	110.3	G64 M69 M70 L78 F80 F114 E118 L122	G64-V66 PolarHBondContact O-N 2.97Å; V66-M69 WeakPolarHBondContact O-CB 3.44Å; V66-M69 PolarHBondContact O-N 2.95Å; V66-M70 PolarHBondContact O-N 3.25Å; V66-L78 HydrophobicContact CG1-CD1 3.1Å; V66-L78 HydrophobicContact CG1-CG 4.42Å; V66-F80 HydrophobicContact CG1-CZ 4.14Å; V66-F80 HydrophobicContact CG2-CZ 4.16Å; V66-F114 HydrophobicContact CB-CD1 4.25Å; V66-F114 HydrophobicContact CG2-CB 3.6Å; V66-F114 HydrophobicContact CG2-CD1 3.29Å; V66-F114 HydrophobicContact CG2-CE1 4.09Å; V66-F114 HydrophobicContact CG2-CG 3.61Å; V66-E118 PolarHBondContact N-OE2 2.9Å; V66-L122 HydrophobicContact CB-CD2 4.44Å; V66-L122 HydrophobicContact CG1-CD1 4.29Å; V66-L122 HydrophobicContact CG1-CD2 3.95Å
67	A	83	Confident	68.8	Low	3 Å²	3	68.4 Å²	68.4	3%	0.025	39%	0.385	C	S	.	.	H	α-helix	trans	-66.3	-41	-179.2	0	0	0	0	0	111.5	M69 M70 K71 L121 L122 I125	A67-M69 VanDerWaalsContact C-N 3.32Å; A67-M69 PolarHBondContact O-N 3.08Å; A67-M70 PolarHBondContact O-N 3.27Å; A67-K71 WeakPolarHBondContact O-CB 3.46Å; A67-K71 WeakPolarHBondContact O-CG 3.44Å; A67-K71 PolarHBondContact O-N 2.89Å; A67-L121 HydrophobicContact CB-CB 3.71Å; A67-L121 HydrophobicContact CB-CD1 4.46Å; A67-L122 HydrophobicContact CB-CD2 4.08Å; A67-I125 HydrophobicContact CB-CD1 4.37Å
68	G	83.8	Confident	72	Confident	30 Å²	30	63 Å²	63	31%	0.309	36%	0.357	S	S	.	.	H	α-helix	trans	-61	-40.8	174.1	0	0	0	0	0	112.4	S65 T72	S65-G68 PolarHBondContact OG-N 3.49Å; G68-T72 WeakPolarHBondContact O-CB 3.13Å; G68-T72 PolarHBondContact O-N 3.1Å; G68-T72 PolarHBondContact O-OG1 2.94Å
69	M	82.2	Confident	75.3	Confident	31 Å²	31	56.6 Å²	56.6	15%	0.153	32%	0.323	C	S	.	.	H	α-helix	trans	-63.1	-48.9	175.8	-171.4	-167	70.3	0	0	111.5	S65 V66 A67 K71 T72 S73 L78 I107 L109 F114	S65-M69 WeakPolarHBondContact O-CB 3.44Å; S65-M69 PolarHBondContact O-N 2.89Å; S65-M69 VanDerWaalsContact O-N 3.08Å; V66-M69 WeakPolarHBondContact O-CB 3.44Å; V66-M69 PolarHBondContact O-N 2.95Å; A67-M69 VanDerWaalsContact C-N 3.32Å; A67-M69 PolarHBondContact O-N 3.08Å; M69-K71 PolarHBondContact O-N 3.4Å; M69-T72 PolarHBondContact O-N 3.34Å; M69-S73 WeakPolarHBondContact O-CB 3.41Å; M69-S73 PolarHBondContact O-N 2.9Å; M69-S73 PolarHBondContact O-OG 3.2Å; M69-L78 HydrophobicContact CE-CD2 3.82Å; M69-I107 HydrophobicContact CE-CD1 4.26Å; M69-I107 HydrophobicContact CE-CG2 3.75Å; M69-I107 HydrophobicContact SD-CD1 4.21Å; M69-L109 HydrophobicContact CE-CD1 3.7Å; M69-L109 HydrophobicContact CE-CD2 4.12Å; M69-L109 HydrophobicContact CE-CG 4.43Å; M69-L109 HydrophobicContact SD-CD2 4.3Å; M69-F114 HydrophobicContact SD-CE1 4.25Å; M69-F114 HydrophobicContact SD-CZ 4.17Å
70	M	85.2	Confident	78.6	Confident	3 Å²	3	52 Å²	52	2%	0.015	30%	0.298	C	S	.	.	H	α-helix	trans	-58.9	-45.6	177.5	-75.7	-170.8	80.5	0	0	112.5	V66 A67 T72 G74 K75 N76 L78 L122 I125	V66-M70 PolarHBondContact O-N 3.25Å; A67-M70 PolarHBondContact O-N 3.27Å; M70-T72 VanDerWaalsContact C-N 3.34Å; M70-T72 PolarHBondContact O-N 3.12Å; M70-G74 WeakPolarHBondContact O-CA 3.25Å; M70-G74 PolarHBondContact O-N 2.68Å; M70-K75 WeakPolarHBondContact CE-O 3.42Å; M70-K75 PolarHBondContact O-N 2.89Å; M70-N76 VanDerWaalsContact CE-C 3.41Å; M70-L78 HydrophobicContact CE-CG 4.15Å; M70-L78 HydrophobicContact CG-CD1 3.95Å; M70-L78 HydrophobicContact CG-CD2 3.64Å; M70-L78 HydrophobicContact CG-CG 3.9Å; M70-L78 HydrophobicContact SD-CD1 3.43Å; M70-L78 WeakPolarHBondContact SD-CD1 3.47Å; M70-L78 HydrophobicContact SD-CD2 3.96Å; M70-L78 HydrophobicContact SD-CG 3.5Å; M70-L78 VanDerWaalsContact SD-CG 3.5Å; M70-L122 HydrophobicContact SD-CD2 3.66Å; M70-I125 HydrophobicContact CB-CD1 3.66Å; M70-I125 HydrophobicContact CG-CD1 4.37Å; M70-I125 HydrophobicContact SD-CD1 3.9Å
71	K	84.5	Confident	81.8	Confident	122 Å²	122	49.2 Å²	49.2	53%	0.53	26%	0.263	S	S	.	.	H	α-helix	trans	-61.8	-40.1	179.6	-71.9	173.4	-176.9	174.8	0	111.8	A67 M69 E124 I125	A67-K71 WeakPolarHBondContact O-CB 3.46Å; A67-K71 WeakPolarHBondContact O-CG 3.44Å; A67-K71 PolarHBondContact O-N 2.89Å; M69-K71 PolarHBondContact O-N 3.4Å; K71-E124 IonicContact NZ-OE2 3.07Å; K71-E124 PolarHBondContact NZ-OE2 3.36Å; K71-I125 HydrophobicContact CG-CD1 4.17Å; K71-I125 HydrophobicContact CG-CG1 4.38Å
72	T	85.2	Confident	84.6	Confident	131 Å²	131	40.4 Å²	40.4	80%	0.804	23%	0.225	S	C	*	.	H	α-helix	trans	-78.3	-42	-176.8	-52.4	0	0	0	0	112.9	G68 M69 M70 G74	G68-T72 WeakPolarHBondContact O-CB 3.13Å; G68-T72 PolarHBondContact O-N 3.1Å; G68-T72 PolarHBondContact O-OG1 2.94Å; M69-T72 PolarHBondContact O-N 3.34Å; M70-T72 VanDerWaalsContact C-N 3.34Å; M70-T72 PolarHBondContact O-N 3.12Å; T72-G74 VanDerWaalsContact C-N 3.34Å
73	S	83.5	Confident	86.6	Confident	18 Å²	18	32.3 Å²	32.3	13%	0.126	19%	0.188	C	C	.	.	H	α-helix	trans	-81.1	-14.1	-179.1	57.8	0	0	0	0	113.3	M69 K75 D351	M69-S73 WeakPolarHBondContact O-CB 3.41Å; M69-S73 PolarHBondContact O-N 2.9Å; M69-S73 PolarHBondContact O-OG 3.2Å; S73-K75 PolarHBondContact O-N 3.39Å; S73-K75 WeakPolarHBondContact OG-CG 3.22Å; S73-D351 WeakPolarHBondContact CB-OD2 3.34Å
74	G	84.1	Confident	87.6	Confident	45 Å²	45	28.9 Å²	28.9	46%	0.464	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	22.8	-173.9	0	0	0	0	0	113	M70 T72	M70-G74 WeakPolarHBondContact O-CA 3.25Å; M70-G74 PolarHBondContact O-N 2.68Å; T72-G74 VanDerWaalsContact C-N 3.34Å
75	K	88	Confident	88.1	Confident	23 Å²	23	32.3 Å²	32.3	10%	0.1	20%	0.195	C	C	.	.			trans	-77.8	135.7	173.7	-57.4	-69.9	-166.8	161.1	0	109	M70 S73 K105 A106 I107 D349	M70-K75 WeakPolarHBondContact CE-O 3.42Å; M70-K75 PolarHBondContact O-N 2.89Å; S73-K75 PolarHBondContact O-N 3.39Å; S73-K75 WeakPolarHBondContact OG-CG 3.22Å; K75-K105 CarbonylContact C-O 3.49Å; K75-K105 WeakPolarHBondContact CA-O 3.43Å; K75-K105 WeakPolarHBondContact CB-O 3.29Å; K75-K105 HydrophobicContact CD-CB 3.63Å; K75-A106 PolarHBondContact NZ-O 3.39Å; K75-I107 HydrophobicContact CG-CG2 4.46Å; K75-D349 IonicContact NZ-OD1 2.77Å; K75-D349 IonicContact NZ-OD2 3.54Å; K75-D349 PolarHBondContact NZ-OD2 3.14Å
76	N	89.9	Confident	88.3	Confident	48 Å²	48	30.8 Å²	30.8	26%	0.257	19%	0.187	S	C	.	.			trans	-110.4	-3.9	179.7	62.9	-12.7	0	0	0	113.3	M70 K105 L129	M70-N76 VanDerWaalsContact CE-C 3.41Å; N76-K105 PolarHBondContact N-O 2.89Å; N76-K105 PolarHBondContact OD1-N 2.87Å; N76-K105 PolarHBondContact OD1-O 2.87Å; N76-L129 PolarHBondContact O-N 3.47Å
77	M	94.1	Very high	88.7	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.8	179.7	-179.7	-178	-176.5	0	0	111	I79 A99 M104 K105 A106 I107 L129 V131 F220 W221	M77-I79 HydrophobicContact CE-CD1 3.61Å; M77-I79 HydrophobicContact CE-CG1 3.93Å; M77-I79 HydrophobicContact CG-CG1 4.28Å; M77-I79 HydrophobicContact SD-CD1 4.38Å; M77-A99 HydrophobicContact SD-CB 4.09Å; M77-M104 HydrophobicContact CB-CE 4.12Å; M77-K105 PolarHBondContact N-O 3.02Å; M77-A106 HydrophobicContact CB-CB 3.82Å; M77-A106 HydrophobicContact CG-CB 3.88Å; M77-A106 VanDerWaalsContact O-CA 3.24Å; M77-A106 WeakPolarHBondContact O-CA 3.32Å; M77-A106 HydrophobicContact SD-CB 3.75Å; M77-I107 PolarHBondContact O-N 3.2Å; M77-I107 VanDerWaalsContact O-N 3.14Å; M77-L129 CarbonylContact C-O 3.54Å; M77-L129 VanDerWaalsContact CA-O 3.29Å; M77-L129 WeakPolarHBondContact CA-O 3.46Å; M77-L129 HydrophobicContact CE-CD2 4.16Å; M77-L129 HydrophobicContact CG-CB 4.43Å; M77-L129 HydrophobicContact CG-CD2 4.21Å; M77-L129 HydrophobicContact CG-CG 4.3Å; M77-L129 HydrophobicContact SD-CD2 4.24Å; M77-V131 HydrophobicContact CE-CB 4.32Å; M77-V131 HydrophobicContact CE-CG2 3.5Å; M77-V131 VanDerWaalsContact CE-CG2 3.5Å; M77-F220 HydrophobicContact CE-CE1 3.97Å; M77-F220 HydrophobicContact CE-CZ 3.61Å; M77-W221 HydrophobicContact CE-CH2 4.1Å; M77-W221 HydrophobicContact SD-CH2 3.93Å
78	L	94.7	Very high	89.3	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	143.9	173.4	-60.8	180	0	0	0	109.9	V66 M69 M70 F80 I107 L109 L122 L129 V130 V131	V66-L78 HydrophobicContact CG1-CD1 3.1Å; V66-L78 HydrophobicContact CG1-CG 4.42Å; M69-L78 HydrophobicContact CE-CD2 3.82Å; M70-L78 HydrophobicContact CE-CG 4.15Å; M70-L78 HydrophobicContact CG-CD1 3.95Å; M70-L78 HydrophobicContact CG-CD2 3.64Å; M70-L78 HydrophobicContact CG-CG 3.9Å; M70-L78 HydrophobicContact SD-CD1 3.43Å; M70-L78 WeakPolarHBondContact SD-CD1 3.47Å; M70-L78 HydrophobicContact SD-CD2 3.96Å; M70-L78 HydrophobicContact SD-CG 3.5Å; M70-L78 VanDerWaalsContact SD-CG 3.5Å; L78-F80 HydrophobicContact CD1-CE2 4.38Å; L78-F80 HydrophobicContact CD1-CZ 4.45Å; L78-I107 HydrophobicContact CD2-CG2 3.42Å; L78-I107 VanDerWaalsContact CD2-CG2 3.42Å; L78-L109 HydrophobicContact CD2-CD1 3.93Å; L78-L122 HydrophobicContact CD1-CD1 3.79Å; L78-L122 HydrophobicContact CD1-CD2 4.16Å; L78-L129 PolarHBondContact N-O 3.33Å; L78-V130 HydrophobicContact CB-CG1 4.47Å; L78-V130 CarbonylContact O-C 3.54Å; L78-V130 WeakPolarHBondContact O-CA 3.32Å; L78-V131 PolarHBondContact O-N 3.07Å
79	I	96.6	Very high	89.8	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	99	179.5	-43	-175.2	0	0	0	109	M77 A92 L95 A96 A106 I107 A108 L109 V131	M77-I79 HydrophobicContact CE-CD1 3.61Å; M77-I79 HydrophobicContact CE-CG1 3.93Å; M77-I79 HydrophobicContact CG-CG1 4.28Å; M77-I79 HydrophobicContact SD-CD1 4.38Å; I79-A92 HydrophobicContact CB-CB 4.27Å; I79-A92 HydrophobicContact CG2-CB 3.52Å; I79-L95 HydrophobicContact CD1-CB 3.41Å; I79-L95 VanDerWaalsContact CD1-CB 3.41Å; I79-L95 HydrophobicContact CD1-CD1 4.49Å; I79-L95 HydrophobicContact CG2-CD1 4.28Å; I79-A96 HydrophobicContact CD1-CB 3.92Å; I79-A106 HydrophobicContact CD1-CB 4.32Å; I79-I107 PolarHBondContact N-O 3Å; I79-A108 CarbonylContact O-C 3.58Å; I79-A108 VanDerWaalsContact O-CA 3.27Å; I79-A108 WeakPolarHBondContact O-CA 3.44Å; I79-L109 PolarHBondContact O-N 3.25Å; I79-V131 CarbonylContact C-O 3.56Å; I79-V131 VanDerWaalsContact CA-O 3.28Å; I79-V131 WeakPolarHBondContact CA-O 3.26Å; I79-V131 HydrophobicContact CG1-CB 4.31Å; I79-V131 HydrophobicContact CG2-CB 4.06Å; I79-V131 HydrophobicContact CG2-CG1 4.18Å
80	F	97.3	Very high	90.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	134.9	175.3	-69.4	-70.2	0	0	0	110.3	V66 L78 L109 P111 F114 M116 L119 V130 V131 F132 C133	V66-F80 HydrophobicContact CG1-CZ 4.14Å; V66-F80 HydrophobicContact CG2-CZ 4.16Å; L78-F80 HydrophobicContact CD1-CE2 4.38Å; L78-F80 HydrophobicContact CD1-CZ 4.45Å; F80-L109 WeakPolarHBondContact CA-O 3.11Å; F80-L109 HydrophobicContact CD1-CB 3.84Å; F80-L109 HydrophobicContact CE1-CB 3.86Å; F80-L109 HydrophobicContact CE1-CD1 3.9Å; F80-L109 HydrophobicContact CZ-CD1 4.2Å; F80-P111 HydrophobicContact CD1-CB 3.97Å; F80-P111 HydrophobicContact CD1-CG 4.5Å; F80-F114 HydrophobicContact CE1-CD2 4.29Å; F80-M116 HydrophobicContact CD1-CE 4.37Å; F80-M116 HydrophobicContact CD2-CE 4.21Å; F80-M116 HydrophobicContact CE1-CE 4.16Å; F80-M116 HydrophobicContact CE1-SD 4.22Å; F80-M116 HydrophobicContact CE2-CE 3.99Å; F80-M116 HydrophobicContact CG-CE 4.39Å; F80-M116 HydrophobicContact CZ-CE 3.96Å; F80-M116 HydrophobicContact CZ-SD 4.35Å; F80-L119 HydrophobicContact CE2-CD1 4.42Å; F80-V130 HydrophobicContact CD2-CG1 3.66Å; F80-V130 HydrophobicContact CE2-CG1 3.82Å; F80-V131 PolarHBondContact N-O 2.97Å; F80-F132 HydrophobicContact CB-CD1 3.86Å; F80-F132 HydrophobicContact CB-CE1 4.12Å; F80-F132 HydrophobicContact CD2-CD1 4.28Å; F80-F132 AromaticContact CD2-CE1 3.74Å; F80-F132 HydrophobicContact CD2-CE1 3.74Å; F80-F132 HydrophobicContact CD2-CZ 4.22Å; F80-F132 HydrophobicContact CG-CE1 4.28Å; F80-F132 CarbonylContact O-C 3.28Å; F80-F132 WeakPolarHBondContact O-CA 3.39Å; F80-C133 PolarHBondContact O-N 2.96Å
81	Y	97.7	Very high	90.6	Very high	22 Å²	22	32 Å²	32	9%	0.086	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.6	174.1	57.1	-95.7	0	0	0	112.5	E89 A92 F93 A108 L109 D110 P111 C133 N145	Y81-E89 HydrophobicContact CD1-CB 4.47Å; Y81-E89 HydrophobicContact CD1-CG 4.3Å; Y81-E89 HydrophobicContact CD2-CB 3.65Å; Y81-E89 HydrophobicContact CD2-CG 3.96Å; Y81-E89 HydrophobicContact CE1-CG 4.02Å; Y81-E89 HydrophobicContact CE2-CB 3.87Å; Y81-E89 HydrophobicContact CE2-CG 3.69Å; Y81-E89 HydrophobicContact CG-CB 4Å; Y81-E89 HydrophobicContact CG-CG 4.27Å; Y81-A92 HydrophobicContact CD1-CB 3.84Å; Y81-A92 HydrophobicContact CG-CB 4.27Å; Y81-F93 AromaticContact CE1-CE2 3.93Å; Y81-F93 HydrophobicContact CE1-CE2 3.93Å; Y81-A108 HydrophobicContact CD1-CB 4.36Å; Y81-A108 HydrophobicContact CE1-CB 4.35Å; Y81-L109 VanDerWaalsContact CD1-O 3.27Å; Y81-L109 WeakPolarHBondContact CD1-O 3.3Å; Y81-L109 WeakPolarHBondContact CE1-O 3.39Å; Y81-L109 PolarHBondContact N-O 2.94Å; Y81-L109 VanDerWaalsContact N-O 3.13Å; Y81-D110 HydrophobicContact CE2-CB 4.12Å; Y81-P111 WeakPolarHBondContact O-CD 3.36Å; Y81-C133 CarbonylContact C-O 3.57Å; Y81-C133 VanDerWaalsContact CA-O 3.26Å; Y81-C133 WeakPolarHBondContact CA-O 3.23Å; Y81-N145 PolarHBondContact O-ND2 3.45Å
82	G	96.8	Very high	91.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	106.8	165.9	0	0	0	0	0	109	A88 C133 A135 T143 N145	G82-A88 WeakPolarHBondContact O-CB 3.31Å; G82-C133 PolarHBondContact N-O 3.44Å; G82-A135 WeakPolarHBondContact O-CB 3.4Å; G82-A135 PolarHBondContact O-N 3.41Å; G82-T143 WeakPolarHBondContact CA-OG1 3.18Å; G82-N145 WeakPolarHBondContact CA-OD1 3.25Å
83	S	92.8	Very high	91.5	Very high	17 Å²	17	21.1 Å²	21.1	12%	0.119	13%	0.128	C	C	.	.			trans	-138.5	135.3	-173.1	-148.6	0	0	0	0	113.1	G86 T87 A88 T143 N145	S83-G86 VanDerWaalsContact OG-CA 3.27Å; S83-G86 WeakPolarHBondContact OG-CA 3.28Å; S83-G86 PolarHBondContact OG-N 2.88Å; S83-T87 PolarHBondContact OG-N 3.45Å; S83-A88 PolarHBondContact OG-N 3Å; S83-T143 PolarHBondContact N-OG1 3.24Å; S83-N145 PolarHBondContact N-OD1 3.38Å; S83-N145 PolarHBondContact O-OD1 3.49Å
84	Q	84	Confident	91.8	Very high	46 Å²	46	21.5 Å²	21.5	22%	0.215	13%	0.126	C	C	.	.	S	Bend	trans	-98	-39.2	169	-75.5	-66.9	11.6	0	0	112.6	Y137 T143 D144	Q84-Y137 HydrophobicContact CB-CD2 4.4Å; Q84-Y137 HydrophobicContact CB-CE2 4.48Å; Q84-Y137 HydrophobicContact CG-CD2 3.83Å; Q84-Y137 HydrophobicContact CG-CE2 4.14Å; Q84-Y137 HydrophobicContact CG-CG 4.19Å; Q84-T143 HydrophobicContact CG-CG2 3.78Å; Q84-D144 PolarHBondContact NE2-OD1 3.43Å; Q84-D144 PolarHBondContact NE2-OD2 3.07Å
85	T	80.9	Confident	92.3	Very high	88 Å²	88	19.4 Å²	19.4	54%	0.54	10%	0.104	S	C	.	.	S	Bend	trans	-110.3	2.1	-174.3	56.2	0	0	0	0	113.5	Q449	T85-Q449 PolarHBondContact O-NE2 2.89Å
86	G	86.9	Confident	92.5	Very high	16 Å²	16	19.1 Å²	19.1	17%	0.165	11%	0.106	C	C	.	.	S	Bend	trans	89.7	-1.8	178.5	0	0	0	0	0	115.4	S83 E89 D90	S83-G86 VanDerWaalsContact OG-CA 3.27Å; S83-G86 WeakPolarHBondContact OG-CA 3.28Å; S83-G86 PolarHBondContact OG-N 2.88Å; G86-E89 PolarHBondContact O-N 3.4Å; G86-D90 PolarHBondContact O-N 2.94Å
87	T	91.1	Very high	92.4	Very high	19 Å²	19	19.1 Å²	19.1	12%	0.117	10%	0.104	C	C	.	.	H	α-helix	trans	-66.7	-48.1	179.8	-53.7	0	0	0	0	112.7	S83 E89 D90 F91 L170 R379	S83-T87 PolarHBondContact OG-N 3.45Å; T87-E89 VanDerWaalsContact C-N 3.26Å; T87-E89 PolarHBondContact O-N 3.08Å; T87-D90 PolarHBondContact O-N 3.44Å; T87-F91 HydrophobicContact CG2-CE1 4.19Å; T87-F91 HydrophobicContact CG2-CE2 4.01Å; T87-F91 HydrophobicContact CG2-CZ 3.83Å; T87-F91 WeakPolarHBondContact O-CG 3.29Å; T87-F91 PolarHBondContact O-N 2.75Å; T87-L170 HydrophobicContact CG2-CD2 3.58Å; T87-R379 PolarHBondContact OG1-NH2 3.09Å; T87-R379 VanDerWaalsContact OG1-NH2 3.08Å
88	A	96	Very high	92.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-64.6	-34.4	177.3	0	0	0	0	0	112.1	G82 S83 A92 C133 L170	G82-A88 WeakPolarHBondContact O-CB 3.31Å; S83-A88 PolarHBondContact OG-N 3Å; A88-A92 WeakPolarHBondContact O-CB 3.4Å; A88-A92 PolarHBondContact O-N 2.77Å; A88-C133 HydrophobicContact CB-CB 4.29Å; A88-L170 HydrophobicContact CB-CD1 3.62Å; A88-L170 HydrophobicContact CB-CD2 3.83Å; A88-L170 HydrophobicContact CB-CG 4.37Å
89	E	93.7	Very high	92	Very high	40 Å²	40	19.8 Å²	19.8	19%	0.187	11%	0.107	C	C	.	.	H	α-helix	trans	-61.3	-51.8	172.7	-179	-176	178.2	0	0	110.7	Y81 G86 T87 F91 A92 F93 K354	Y81-E89 HydrophobicContact CD1-CB 4.47Å; Y81-E89 HydrophobicContact CD1-CG 4.3Å; Y81-E89 HydrophobicContact CD2-CB 3.65Å; Y81-E89 HydrophobicContact CD2-CG 3.96Å; Y81-E89 HydrophobicContact CE1-CG 4.02Å; Y81-E89 HydrophobicContact CE2-CB 3.87Å; Y81-E89 HydrophobicContact CE2-CG 3.69Å; Y81-E89 HydrophobicContact CG-CB 4Å; Y81-E89 HydrophobicContact CG-CG 4.27Å; G86-E89 PolarHBondContact O-N 3.4Å; T87-E89 VanDerWaalsContact C-N 3.26Å; T87-E89 PolarHBondContact O-N 3.08Å; E89-F91 VanDerWaalsContact C-N 3.32Å; E89-F91 PolarHBondContact O-N 3.17Å; E89-A92 WeakPolarHBondContact O-CB 3.32Å; E89-A92 PolarHBondContact O-N 3.31Å; E89-A92 VanDerWaalsContact O-N 3.09Å; E89-F93 HydrophobicContact CG-CD2 3.8Å; E89-F93 HydrophobicContact CG-CE2 3.72Å; E89-F93 WeakPolarHBondContact O-CD2 3.48Å; E89-F93 PolarHBondContact O-N 3.06Å; E89-K354 IonicContact OE1-NZ 2.88Å; E89-K354 PolarHBondContact OE1-NZ 3.47Å
90	D	90.9	Very high	91.5	Very high	36 Å²	36	24.3 Å²	24.3	19%	0.193	13%	0.131	C	C	.	.	H	α-helix	trans	-54.1	-46.7	176.2	176	61.5	0	0	0	112.1	G86 T87 A92 F93 R94 R379 H381	G86-D90 PolarHBondContact O-N 2.94Å; T87-D90 PolarHBondContact O-N 3.44Å; D90-A92 VanDerWaalsContact C-N 3.32Å; D90-A92 PolarHBondContact O-N 3.4Å; D90-F93 PolarHBondContact O-N 2.74Å; D90-R94 WeakPolarHBondContact O-CB 3.1Å; D90-R94 WeakPolarHBondContact O-CD 3.43Å; D90-R94 WeakPolarHBondContact O-CG 3.48Å; D90-R94 PolarHBondContact O-N 2.73Å; D90-R94 WeakPolarHBondContact OD2-CD 3.24Å; D90-R94 IonicContact OD2-NH1 2.75Å; D90-R94 PolarHBondContact OD2-NH1 2.79Å; D90-R379 VanDerWaalsContact CB-NH1 3.34Å; D90-R379 IonicContact OD2-CZ 2.58Å; D90-R379 IonicContact OD2-NH1 3.77Å; D90-R379 PolarHBondContact OD2-NH1 3.19Å; D90-H381 IonicContact OD1-CE1 2.8Å; D90-H381 IonicContact OD2-NE2 3.85Å
91	F	94.9	Very high	90.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.6	-41.2	177	-70.5	-4.3	0	0	0	112.5	T87 E89 R94 L95 F168 L170 I209 E210 F213	T87-F91 HydrophobicContact CG2-CE1 4.19Å; T87-F91 HydrophobicContact CG2-CE2 4.01Å; T87-F91 HydrophobicContact CG2-CZ 3.83Å; T87-F91 WeakPolarHBondContact O-CG 3.29Å; T87-F91 PolarHBondContact O-N 2.75Å; E89-F91 VanDerWaalsContact C-N 3.32Å; E89-F91 PolarHBondContact O-N 3.17Å; F91-R94 PolarHBondContact O-N 2.91Å; F91-L95 WeakPolarHBondContact O-CG 3.33Å; F91-L95 PolarHBondContact O-N 3.27Å; F91-F168 HydrophobicContact CD2-CD1 4.1Å; F91-F168 AromaticContact CD2-CE1 3.75Å; F91-F168 HydrophobicContact CD2-CE1 3.75Å; F91-F168 AromaticContact CE2-CE1 3.76Å; F91-F168 HydrophobicContact CE2-CE1 3.76Å; F91-L170 HydrophobicContact CD2-CD1 4.37Å; F91-L170 HydrophobicContact CD2-CD2 3.85Å; F91-L170 HydrophobicContact CD2-CG 4.23Å; F91-L170 HydrophobicContact CE2-CD2 3.8Å; F91-L170 HydrophobicContact CE2-CG 4.22Å; F91-I209 HydrophobicContact CE2-CD1 4.44Å; F91-I209 HydrophobicContact CE2-CG1 4.1Å; F91-I209 HydrophobicContact CZ-CG1 4.44Å; F91-I209 HydrophobicContact CZ-CG2 4.39Å; F91-E210 WeakPolarHBondContact CE1-OE2 3.43Å; F91-F213 HydrophobicContact CB-CD2 4.04Å; F91-F213 HydrophobicContact CB-CE1 4.14Å; F91-F213 HydrophobicContact CB-CE2 3.62Å; F91-F213 HydrophobicContact CB-CG 4.46Å; F91-F213 HydrophobicContact CB-CZ 3.65Å; F91-F213 AromaticContact CD1-CD1 3.68Å; F91-F213 HydrophobicContact CD1-CD1 3.68Å; F91-F213 HydrophobicContact CD1-CD2 4.42Å; F91-F213 AromaticContact CD1-CE1 3.81Å; F91-F213 HydrophobicContact CD1-CE1 3.81Å; F91-F213 AromaticContact CD1-CG 3.99Å; F91-F213 HydrophobicContact CD1-CG 3.99Å; F91-F213 HydrophobicContact CD1-CZ 4.23Å; F91-F213 HydrophobicContact CD2-CB 4.05Å; F91-F213 HydrophobicContact CD2-CD1 4.27Å; F91-F213 AromaticContact CD2-CD2 3.66Å; F91-F213 HydrophobicContact CD2-CD2 3.66Å; F91-F213 HydrophobicContact CD2-CE2 4.15Å; F91-F213 AromaticContact CD2-CG 3.71Å; F91-F213 HydrophobicContact CD2-CG 3.71Å; F91-F213 HydrophobicContact CE1-CB 4.31Å; F91-F213 AromaticContact CE1-CD1 3.86Å; F91-F213 HydrophobicContact CE1-CD1 3.86Å; F91-F213 HydrophobicContact CE1-CE1 4.41Å; F91-F213 HydrophobicContact CE1-CG 4.11Å; F91-F213 HydrophobicContact CE2-CB 3.67Å; F91-F213 HydrophobicContact CE2-CD1 4.42Å; F91-F213 HydrophobicContact CE2-CD2 4.19Å; F91-F213 AromaticContact CE2-CG 3.84Å; F91-F213 HydrophobicContact CE2-CG 3.84Å; F91-F213 AromaticContact CG-CD1 3.9Å; F91-F213 HydrophobicContact CG-CD1 3.9Å; F91-F213 AromaticContact CG-CD2 3.79Å; F91-F213 HydrophobicContact CG-CD2 3.79Å; F91-F213 AromaticContact CG-CE1 3.97Å; F91-F213 HydrophobicContact CG-CE1 3.97Å; F91-F213 AromaticContact CG-CE2 3.87Å; F91-F213 HydrophobicContact CG-CE2 3.87Å; F91-F213 AromaticContact CG-CG 3.8Å; F91-F213 HydrophobicContact CG-CG 3.8Å; F91-F213 AromaticContact CG-CZ 3.93Å; F91-F213 HydrophobicContact CG-CZ 3.93Å; F91-F213 HydrophobicContact CZ-CB 3.8Å; F91-F213 HydrophobicContact CZ-CD1 4.22Å; F91-F213 HydrophobicContact CZ-CG 4.03Å; F91-F213 WeakPolarHBondContact O-CZ 3.48Å
92	A	95.8	Very high	90.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.5	-45.2	176.9	0	0	0	0	0	112.4	I79 Y81 A88 E89 D90 R94 L95 A96 A108 C133	I79-A92 HydrophobicContact CB-CB 4.27Å; I79-A92 HydrophobicContact CG2-CB 3.52Å; Y81-A92 HydrophobicContact CD1-CB 3.84Å; Y81-A92 HydrophobicContact CG-CB 4.27Å; A88-A92 WeakPolarHBondContact O-CB 3.4Å; A88-A92 PolarHBondContact O-N 2.77Å; E89-A92 WeakPolarHBondContact O-CB 3.32Å; E89-A92 PolarHBondContact O-N 3.31Å; E89-A92 VanDerWaalsContact O-N 3.09Å; D90-A92 VanDerWaalsContact C-N 3.32Å; D90-A92 PolarHBondContact O-N 3.4Å; A92-R94 VanDerWaalsContact C-N 3.33Å; A92-R94 PolarHBondContact O-N 2.96Å; A92-L95 PolarHBondContact O-N 2.78Å; A92-A96 WeakPolarHBondContact O-CB 3.19Å; A92-A96 PolarHBondContact O-N 2.98Å; A92-A108 HydrophobicContact CB-CB 3.96Å; A92-C133 HydrophobicContact CB-CB 4.42Å
93	F	91.7	Very high	89.8	Confident	26 Å²	26	29.4 Å²	29.4	11%	0.114	17%	0.167	C	C	.	.	H	α-helix	trans	-63.5	-39	176.3	-84.3	-83.1	0	0	0	112.1	Y81 E89 D90 A96 K97 A108 K354	Y81-F93 AromaticContact CE1-CE2 3.93Å; Y81-F93 HydrophobicContact CE1-CE2 3.93Å; E89-F93 HydrophobicContact CG-CD2 3.8Å; E89-F93 HydrophobicContact CG-CE2 3.72Å; E89-F93 WeakPolarHBondContact O-CD2 3.48Å; E89-F93 PolarHBondContact O-N 3.06Å; D90-F93 PolarHBondContact O-N 2.74Å; F93-A96 PolarHBondContact O-N 2.7Å; F93-K97 WeakPolarHBondContact O-CB 3.31Å; F93-K97 PolarHBondContact O-N 3.48Å; F93-A108 HydrophobicContact CD1-CB 4.09Å; F93-A108 HydrophobicContact CD2-CB 3.98Å; F93-A108 HydrophobicContact CE1-CB 4.13Å; F93-A108 HydrophobicContact CE2-CB 4.02Å; F93-A108 HydrophobicContact CG-CB 4Å; F93-A108 HydrophobicContact CZ-CB 4.08Å; F93-K354 HydrophobicContact CE1-CB 4.24Å; F93-K354 HydrophobicContact CE1-CD 4.29Å; F93-K354 HydrophobicContact CE2-CD 3.86Å; F93-K354 HydrophobicContact CZ-CB 3.73Å; F93-K354 HydrophobicContact CZ-CD 3.59Å; F93-K354 HydrophobicContact CZ-CG 4.31Å
94	R	90.7	Very high	89.6	Confident	26 Å²	26	28.7 Å²	28.7	10%	0.098	16%	0.162	C	C	.	.	H	α-helix	trans	-64.8	-41.4	175.8	-71.8	164.2	55.5	-176.1	-0.1	112.7	D90 F91 A92 A96 K97 D98 E210 M214	D90-R94 WeakPolarHBondContact O-CB 3.1Å; D90-R94 WeakPolarHBondContact O-CD 3.43Å; D90-R94 WeakPolarHBondContact O-CG 3.48Å; D90-R94 PolarHBondContact O-N 2.73Å; D90-R94 WeakPolarHBondContact OD2-CD 3.24Å; D90-R94 IonicContact OD2-NH1 2.75Å; D90-R94 PolarHBondContact OD2-NH1 2.79Å; F91-R94 PolarHBondContact O-N 2.91Å; A92-R94 VanDerWaalsContact C-N 3.33Å; A92-R94 PolarHBondContact O-N 2.96Å; R94-A96 VanDerWaalsContact C-N 3.33Å; R94-K97 PolarHBondContact O-N 2.99Å; R94-D98 PolarHBondContact O-N 3.12Å; R94-E210 IonicContact CZ-OE1 2.84Å; R94-E210 IonicContact CZ-OE2 3.85Å; R94-E210 VanDerWaalsContact NH1-CD 3.27Å; R94-E210 IonicContact NH1-OE1 3.84Å; R94-E210 PolarHBondContact NH1-OE1 3.24Å; R94-E210 IonicContact NH1-OE2 3.64Å; R94-E210 PolarHBondContact NH1-OE2 2.77Å; R94-E210 IonicContact NH2-OE1 3.57Å; R94-E210 PolarHBondContact NH2-OE1 2.88Å; R94-E210 IonicContact NH2-OE2 3.54Å; R94-M214 PolarHBondContact NH2-SD 3.15Å; R94-M214 VanDerWaalsContact NH2-SD 3.39Å
95	L	93.7	Very high	89.9	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-42.3	171.5	-73	169.1	0	0	0	111.4	I79 F91 A92 K97 D98 A99 V131 F213 W216 K217 F220 W221	I79-L95 HydrophobicContact CD1-CB 3.41Å; I79-L95 VanDerWaalsContact CD1-CB 3.41Å; I79-L95 HydrophobicContact CD1-CD1 4.49Å; I79-L95 HydrophobicContact CG2-CD1 4.28Å; F91-L95 WeakPolarHBondContact O-CG 3.33Å; F91-L95 PolarHBondContact O-N 3.27Å; A92-L95 PolarHBondContact O-N 2.78Å; L95-K97 VanDerWaalsContact C-N 3.28Å; L95-K97 PolarHBondContact O-N 3.01Å; L95-D98 PolarHBondContact O-N 3.44Å; L95-A99 PolarHBondContact O-N 3.3Å; L95-A99 VanDerWaalsContact O-N 3.09Å; L95-V131 HydrophobicContact CD1-CG1 4.06Å; L95-F213 HydrophobicContact CD1-CE2 4.07Å; L95-F213 HydrophobicContact CD1-CZ 4.34Å; L95-F213 HydrophobicContact CD2-CE2 4.31Å; L95-F213 HydrophobicContact CD2-CZ 4.15Å; L95-F213 HydrophobicContact CG-CE2 4.04Å; L95-F213 HydrophobicContact CG-CZ 3.83Å; L95-W216 HydrophobicContact CD1-CH2 4.3Å; L95-W216 HydrophobicContact CD1-CZ3 3.9Å; L95-W216 HydrophobicContact CD2-CZ3 4.09Å; L95-K217 HydrophobicContact CD2-CB 4.42Å; L95-K217 HydrophobicContact CD2-CD 3.93Å; L95-K217 HydrophobicContact CD2-CG 3.69Å; L95-F220 HydrophobicContact CD2-CD1 4.15Å; L95-F220 HydrophobicContact CD2-CE1 4.22Å; L95-W221 WeakPolarHBondContact O-CZ2 3.33Å
96	A	92.4	Very high	90.4	Very high	17 Å²	17	28.2 Å²	28.2	14%	0.14	15%	0.153	C	C	.	.	H	α-helix	trans	-62.5	-39.2	179.9	0	0	0	0	0	111.6	I79 A92 F93 R94 A99 A106 A108	I79-A96 HydrophobicContact CD1-CB 3.92Å; A92-A96 WeakPolarHBondContact O-CB 3.19Å; A92-A96 PolarHBondContact O-N 2.98Å; F93-A96 PolarHBondContact O-N 2.7Å; R94-A96 VanDerWaalsContact C-N 3.33Å; A96-A99 VanDerWaalsContact O-CB 3.3Å; A96-A99 WeakPolarHBondContact O-CB 3.24Å; A96-A99 PolarHBondContact O-N 3.32Å; A96-A106 HydrophobicContact CB-CB 3.97Å; A96-A108 HydrophobicContact CB-CB 4.38Å
97	K	87.8	Confident	90.7	Very high	49 Å²	49	27.8 Å²	27.8	21%	0.213	15%	0.147	C	C	.	.	H	α-helix	trans	-64.5	-43.4	174.4	-177.6	174.8	-173.7	168.4	0	112.6	F93 R94 L95 A99 L100 M239 E241	F93-K97 WeakPolarHBondContact O-CB 3.31Å; F93-K97 PolarHBondContact O-N 3.48Å; R94-K97 PolarHBondContact O-N 2.99Å; L95-K97 VanDerWaalsContact C-N 3.28Å; L95-K97 PolarHBondContact O-N 3.01Å; K97-A99 PolarHBondContact O-N 3.14Å; K97-L100 PolarHBondContact O-N 3.13Å; K97-M239 WeakPolarHBondContact CE-O 3.42Å; K97-M239 PolarHBondContact NZ-O 3.23Å; K97-E241 HydrophobicContact CD-CG 4.48Å; K97-E241 WeakPolarHBondContact CD-OE1 3.19Å; K97-E241 IonicContact NZ-OE1 3.56Å
98	D	89.6	Confident	90.8	Very high	13 Å²	13	27.2 Å²	27.2	7%	0.07	14%	0.144	C	C	.	.	H	α-helix	trans	-65.1	-28.8	178.7	-81.7	-10.1	0	0	0	112.8	R94 L95 L100 R101 Y102 K217 W221	R94-D98 PolarHBondContact O-N 3.12Å; L95-D98 PolarHBondContact O-N 3.44Å; D98-L100 PolarHBondContact O-N 2.69Å; D98-L100 VanDerWaalsContact O-N 3.12Å; D98-R101 VanDerWaalsContact O-CB 3.29Å; D98-R101 WeakPolarHBondContact O-CB 3.1Å; D98-R101 PolarHBondContact O-N 2.78Å; D98-R101 IonicContact OD1-CZ 3.64Å; D98-R101 IonicContact OD1-NH1 3.79Å; D98-Y102 WeakPolarHBondContact O-CD2 3.31Å; D98-K217 WeakPolarHBondContact OD2-CD 3.38Å; D98-K217 IonicContact OD2-NZ 3.74Å; D98-K217 PolarHBondContact OD2-NZ 3.02Å; D98-W221 HydrophobicContact CB-CZ2 3.69Å
99	A	90.8	Very high	90.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-53.7	-34.4	-179.8	0	0	0	0	0	113.4	M77 L95 A96 K97 R101 Y102 G103 M104 A106 W221	M77-A99 HydrophobicContact SD-CB 4.09Å; L95-A99 PolarHBondContact O-N 3.3Å; L95-A99 VanDerWaalsContact O-N 3.09Å; A96-A99 VanDerWaalsContact O-CB 3.3Å; A96-A99 WeakPolarHBondContact O-CB 3.24Å; A96-A99 PolarHBondContact O-N 3.32Å; K97-A99 PolarHBondContact O-N 3.14Å; A99-R101 PolarHBondContact O-N 2.93Å; A99-Y102 CarbonylContact O-C 2.97Å; A99-Y102 PolarHBondContact O-N 3.46Å; A99-G103 PolarHBondContact O-N 3.09Å; A99-M104 CarbonylContact C-O 3.59Å; A99-M104 VanDerWaalsContact C-O 3.28Å; A99-M104 HydrophobicContact CB-CB 4.02Å; A99-M104 PolarHBondContact O-N 3.37Å; A99-M104 VanDerWaalsContact O-O 3.13Å; A99-A106 HydrophobicContact CB-CB 3.41Å; A99-A106 VanDerWaalsContact CB-CB 3.41Å; A99-W221 VanDerWaalsContact CA-CH2 3.4Å; A99-W221 HydrophobicContact CB-CH2 3.73Å; A99-W221 HydrophobicContact CB-CZ2 4.36Å
100	L	85.9	Confident	90.6	Very high	95 Å²	95	26.3 Å²	26.3	50%	0.497	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-59.5	-33.1	178.7	-170.7	66.7	0	0	0	112.2	K97 D98 Y102 G103 M104 M239	K97-L100 PolarHBondContact O-N 3.13Å; D98-L100 PolarHBondContact O-N 2.69Å; D98-L100 VanDerWaalsContact O-N 3.12Å; L100-Y102 PolarHBondContact O-N 2.9Å; L100-G103 PolarHBondContact O-N 2.76Å; L100-G103 VanDerWaalsContact O-N 3.12Å; L100-M104 PolarHBondContact N-O 3.16Å; L100-M239 HydrophobicContact CD2-CE 3.49Å; L100-M239 VanDerWaalsContact CD2-CE 3.49Å; L100-M239 HydrophobicContact CD2-SD 3.75Å
101	R	84.2	Confident	90.8	Very high	38 Å²	38	24.6 Å²	24.6	14%	0.143	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-65.8	-26.9	178.1	-60.9	-177.2	174.4	167	0.5	112.9	D98 A99 G103 V233 E236	D98-R101 VanDerWaalsContact O-CB 3.29Å; D98-R101 WeakPolarHBondContact O-CB 3.1Å; D98-R101 PolarHBondContact O-N 2.78Å; D98-R101 IonicContact OD1-CZ 3.64Å; D98-R101 IonicContact OD1-NH1 3.79Å; A99-R101 PolarHBondContact O-N 2.93Å; R101-G103 VanDerWaalsContact C-N 3.32Å; R101-V233 WeakPolarHBondContact O-CB 3.49Å; R101-V233 PolarHBondContact O-N 2.93Å; R101-E236 IonicContact CZ-OE1 3.04Å; R101-E236 VanDerWaalsContact CZ-OE1 3.27Å; R101-E236 VanDerWaalsContact NH1-CG 3.29Å; R101-E236 IonicContact NH1-OE1 3.27Å; R101-E236 PolarHBondContact NH1-OE1 3.44Å; R101-E236 VanDerWaalsContact NH2-CD 3.28Å; R101-E236 IonicContact NH2-OE1 3.74Å; R101-E236 PolarHBondContact NH2-OE1 2.86Å
102	Y	87.5	Confident	90.6	Very high	39 Å²	39	28 Å²	28	15%	0.153	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-100.2	19.7	179.7	-55.9	-79.5	0	0	0	110.6	D98 A99 L100 M104 W221 C225 I230 A232	D98-Y102 WeakPolarHBondContact O-CD2 3.31Å; A99-Y102 CarbonylContact O-C 2.97Å; A99-Y102 PolarHBondContact O-N 3.46Å; L100-Y102 PolarHBondContact O-N 2.9Å; Y102-M104 PolarHBondContact O-N 3.29Å; Y102-W221 HydrophobicContact CD1-CE3 4.42Å; Y102-W221 AromaticContact CD2-CD2 3.48Å; Y102-W221 HydrophobicContact CD2-CD2 3.48Å; Y102-W221 VanDerWaalsContact CD2-CD2 3.48Å; Y102-W221 AromaticContact CD2-CE2 3.89Å; Y102-W221 AromaticContact CD2-CE3 3.27Å; Y102-W221 HydrophobicContact CD2-CE3 3.27Å; Y102-W221 HydrophobicContact CD2-CG 4.14Å; Y102-W221 HydrophobicContact CD2-CH2 4.03Å; Y102-W221 HydrophobicContact CD2-CZ2 4.16Å; Y102-W221 AromaticContact CD2-CZ3 3.57Å; Y102-W221 HydrophobicContact CD2-CZ3 3.57Å; Y102-W221 HydrophobicContact CE1-CB 4.15Å; Y102-W221 HydrophobicContact CE1-CG 4.45Å; Y102-W221 HydrophobicContact CE2-CB 3.96Å; Y102-W221 AromaticContact CE2-CD1 3.77Å; Y102-W221 AromaticContact CE2-CD2 3.2Å; Y102-W221 HydrophobicContact CE2-CD2 3.2Å; Y102-W221 AromaticContact CE2-CE2 3.6Å; Y102-W221 AromaticContact CE2-CE3 3.54Å; Y102-W221 HydrophobicContact CE2-CE3 3.54Å; Y102-W221 AromaticContact CE2-CG 3.39Å; Y102-W221 HydrophobicContact CE2-CG 3.39Å; Y102-W221 HydrophobicContact CE2-CZ2 4.28Å; Y102-W221 HydrophobicContact CE2-CZ3 4.21Å; Y102-W221 AromaticContact CE2-NE1 3.88Å; Y102-W221 HydrophobicContact CG-CD2 4.32Å; Y102-W221 AromaticContact CG-CE3 3.76Å; Y102-W221 HydrophobicContact CG-CE3 3.76Å; Y102-W221 HydrophobicContact CG-CZ3 4.08Å; Y102-W221 AromaticContact CZ-CD2 3.84Å; Y102-W221 AromaticContact CZ-CG 3.56Å; Y102-W221 WeakPolarHBondContact OH-CB 3.01Å; Y102-C225 WeakPolarHBondContact CD1-SG 3.45Å; Y102-I230 WeakPolarHBondContact O-CG2 3.28Å; Y102-A232 HydrophobicContact CD1-CB 4.23Å; Y102-A232 HydrophobicContact CE1-CB 4.09Å
103	G	85.1	Confident	90.2	Very high	53 Å²	53	31.5 Å²	31.5	55%	0.546	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	12.3	-178.8	0	0	0	0	0	114.1	A99 L100 R101	A99-G103 PolarHBondContact O-N 3.09Å; L100-G103 PolarHBondContact O-N 2.76Å; L100-G103 VanDerWaalsContact O-N 3.12Å; R101-G103 VanDerWaalsContact C-N 3.32Å
104	M	89.2	Confident	90.1	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.01	16%	0.158	C	C	.	.			trans	-92	152.6	177.1	-63.2	-169.8	80.2	0	0	109.8	M77 A99 L100 Y102 L129 W221 V224 F228 I230	M77-M104 HydrophobicContact CB-CE 4.12Å; A99-M104 CarbonylContact C-O 3.59Å; A99-M104 VanDerWaalsContact C-O 3.28Å; A99-M104 HydrophobicContact CB-CB 4.02Å; A99-M104 PolarHBondContact O-N 3.37Å; A99-M104 VanDerWaalsContact O-O 3.13Å; L100-M104 PolarHBondContact N-O 3.16Å; Y102-M104 PolarHBondContact O-N 3.29Å; M104-L129 HydrophobicContact CE-CB 4.5Å; M104-L129 HydrophobicContact CE-CD2 4.3Å; M104-W221 HydrophobicContact SD-CZ3 4.13Å; M104-V224 HydrophobicContact SD-CG1 3.56Å; M104-V224 VanDerWaalsContact SD-CG1 3.56Å; M104-F228 HydrophobicContact CE-CE2 4.48Å; M104-I230 HydrophobicContact CG-CD1 3.88Å; M104-I230 HydrophobicContact SD-CD1 4.15Å
105	K	89.3	Confident	89.9	Confident	117 Å²	117	31.6 Å²	31.6	51%	0.509	17%	0.167	S	C	.	.			trans	-115.5	105.1	174.2	-61.6	-176.6	-179.9	177.9	0	108.4	K75 N76 M77	K75-K105 CarbonylContact C-O 3.49Å; K75-K105 WeakPolarHBondContact CA-O 3.43Å; K75-K105 WeakPolarHBondContact CB-O 3.29Å; K75-K105 HydrophobicContact CD-CB 3.63Å; N76-K105 PolarHBondContact N-O 2.89Å; N76-K105 PolarHBondContact OD1-N 2.87Å; N76-K105 PolarHBondContact OD1-O 2.87Å; M77-K105 PolarHBondContact N-O 3.02Å
106	A	92.2	Very high	89.7	Confident	7 Å²	7	31.9 Å²	31.9	6%	0.058	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	162.2	-178.7	0	0	0	0	0	112.6	K75 M77 I79 A96 A99	K75-A106 PolarHBondContact NZ-O 3.39Å; M77-A106 HydrophobicContact CB-CB 3.82Å; M77-A106 HydrophobicContact CG-CB 3.88Å; M77-A106 VanDerWaalsContact O-CA 3.24Å; M77-A106 WeakPolarHBondContact O-CA 3.32Å; M77-A106 HydrophobicContact SD-CB 3.75Å; I79-A106 HydrophobicContact CD1-CB 4.32Å; A96-A106 HydrophobicContact CB-CB 3.97Å; A99-A106 HydrophobicContact CB-CB 3.41Å; A99-A106 VanDerWaalsContact CB-CB 3.41Å
107	I	92.1	Very high	89.4	Confident	7 Å²	7	37 Å²	37	4%	0.036	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	134.3	169.3	-174.7	169	0	0	0	109.9	M69 K75 M77 L78 I79 L109 D351	M69-I107 HydrophobicContact CE-CD1 4.26Å; M69-I107 HydrophobicContact CE-CG2 3.75Å; M69-I107 HydrophobicContact SD-CD1 4.21Å; K75-I107 HydrophobicContact CG-CG2 4.46Å; M77-I107 PolarHBondContact O-N 3.2Å; M77-I107 VanDerWaalsContact O-N 3.14Å; L78-I107 HydrophobicContact CD2-CG2 3.42Å; L78-I107 VanDerWaalsContact CD2-CG2 3.42Å; I79-I107 PolarHBondContact N-O 3Å; I107-L109 HydrophobicContact CD1-CD2 3.87Å; I107-L109 HydrophobicContact CG1-CD2 3.84Å; I107-L109 HydrophobicContact CG1-CG 4.4Å; I107-L109 HydrophobicContact CG2-CD1 4.48Å; I107-L109 HydrophobicContact CG2-CD2 4.4Å; I107-L109 HydrophobicContact CG2-CG 4.32Å; I107-D351 WeakPolarHBondContact CD1-O 3.45Å
108	A	93.3	Very high	89.4	Confident	7 Å²	7	36.7 Å²	36.7	6%	0.058	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	134.8	173.3	0	0	0	0	0	110.3	I79 Y81 A92 F93 A96	I79-A108 CarbonylContact O-C 3.58Å; I79-A108 VanDerWaalsContact O-CA 3.27Å; I79-A108 WeakPolarHBondContact O-CA 3.44Å; Y81-A108 HydrophobicContact CD1-CB 4.36Å; Y81-A108 HydrophobicContact CE1-CB 4.35Å; A92-A108 HydrophobicContact CB-CB 3.96Å; F93-A108 HydrophobicContact CD1-CB 4.09Å; F93-A108 HydrophobicContact CD2-CB 3.98Å; F93-A108 HydrophobicContact CE1-CB 4.13Å; F93-A108 HydrophobicContact CE2-CB 4.02Å; F93-A108 HydrophobicContact CG-CB 4Å; F93-A108 HydrophobicContact CZ-CB 4.08Å; A96-A108 HydrophobicContact CB-CB 4.38Å
109	L	93.6	Very high	89.3	Confident	2 Å²	2	36.3 Å²	36.3	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	142.8	-170.3	-62.2	178.7	0	0	0	112.2	M69 L78 I79 F80 Y81 I107 P111 F114 R353	M69-L109 HydrophobicContact CE-CD1 3.7Å; M69-L109 HydrophobicContact CE-CD2 4.12Å; M69-L109 HydrophobicContact CE-CG 4.43Å; M69-L109 HydrophobicContact SD-CD2 4.3Å; L78-L109 HydrophobicContact CD2-CD1 3.93Å; I79-L109 PolarHBondContact O-N 3.25Å; F80-L109 WeakPolarHBondContact CA-O 3.11Å; F80-L109 HydrophobicContact CD1-CB 3.84Å; F80-L109 HydrophobicContact CE1-CB 3.86Å; F80-L109 HydrophobicContact CE1-CD1 3.9Å; F80-L109 HydrophobicContact CZ-CD1 4.2Å; Y81-L109 VanDerWaalsContact CD1-O 3.27Å; Y81-L109 WeakPolarHBondContact CD1-O 3.3Å; Y81-L109 WeakPolarHBondContact CE1-O 3.39Å; Y81-L109 PolarHBondContact N-O 2.94Å; Y81-L109 VanDerWaalsContact N-O 3.13Å; I107-L109 HydrophobicContact CD1-CD2 3.87Å; I107-L109 HydrophobicContact CG1-CD2 3.84Å; I107-L109 HydrophobicContact CG1-CG 4.4Å; I107-L109 HydrophobicContact CG2-CD1 4.48Å; I107-L109 HydrophobicContact CG2-CD2 4.4Å; I107-L109 HydrophobicContact CG2-CG 4.32Å; L109-P111 WeakPolarHBondContact O-CD 3.28Å; L109-F114 HydrophobicContact CB-CD2 4.46Å; L109-F114 HydrophobicContact CB-CE2 3.84Å; L109-F114 HydrophobicContact CB-CZ 4.48Å; L109-F114 HydrophobicContact CD1-CD2 4.45Å; L109-F114 HydrophobicContact CD1-CE1 4.36Å; L109-F114 HydrophobicContact CD1-CE2 3.8Å; L109-F114 HydrophobicContact CD1-CZ 3.72Å; L109-F114 HydrophobicContact CD2-CE2 3.74Å; L109-F114 HydrophobicContact CD2-CZ 3.62Å; L109-F114 HydrophobicContact CG-CE2 4Å; L109-F114 HydrophobicContact CG-CZ 4.14Å; L109-R353 HydrophobicContact CD2-CG 4.48Å
110	D	93.1	Very high	89.3	Confident	18 Å²	18	40 Å²	40	10%	0.096	20%	0.204	C	C	.	.			trans	-80.9	118.6	166.1	-171.6	-15.6	0	0	0	109.4	Y81 E112 E113 F114 N145	Y81-D110 HydrophobicContact CE2-CB 4.12Å; D110-E112 PolarHBondContact O-N 2.82Å; D110-E112 WeakPolarHBondContact OD1-CB 3.49Å; D110-E112 PolarHBondContact OD1-N 3.11Å; D110-E113 HydrophobicContact CB-CG 4.14Å; D110-E113 PolarHBondContact O-N 2.71Å; D110-E113 VanDerWaalsContact O-N 3.16Å; D110-F114 WeakPolarHBondContact O-CD2 3.48Å; D110-N145 WeakPolarHBondContact OD1-CB 3.14Å; D110-N145 PolarHBondContact OD1-ND2 2.84Å
111	P	93.5	Very high	89.5	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.006	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-61.8	-20.6	178.1	20.2	-26.4	0	0	0	114.1	F80 Y81 L109 E113 F114 M116 N145 A146 L149	F80-P111 HydrophobicContact CD1-CB 3.97Å; F80-P111 HydrophobicContact CD1-CG 4.5Å; Y81-P111 WeakPolarHBondContact O-CD 3.36Å; L109-P111 WeakPolarHBondContact O-CD 3.28Å; P111-E113 PolarHBondContact O-N 2.98Å; P111-F114 PolarHBondContact O-N 2.85Å; P111-M116 HydrophobicContact CB-CE 4.2Å; P111-M116 HydrophobicContact CB-CG 4.45Å; P111-M116 HydrophobicContact CB-SD 3.83Å; P111-N145 WeakPolarHBondContact CG-O 3.39Å; P111-A146 HydrophobicContact CG-CB 4.41Å; P111-L149 HydrophobicContact CB-CB 4.35Å
112	E	90.8	Very high	89.7	Confident	70 Å²	70	35.7 Å²	35.7	33%	0.327	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-63.7	-25.9	175.5	-172.6	-178.5	-136.5	0	0	112.6	D110 F114 N145 K276	D110-E112 PolarHBondContact O-N 2.82Å; D110-E112 WeakPolarHBondContact OD1-CB 3.49Å; D110-E112 PolarHBondContact OD1-N 3.11Å; E112-F114 VanDerWaalsContact C-N 3.32Å; E112-N145 HydrophobicContact CB-CB 4.28Å; E112-N145 PolarHBondContact N-O 2.92Å; E112-K276 IonicContact OE2-NZ 3.51Å; E112-K276 PolarHBondContact OE2-NZ 3.46Å
113	E	88.6	Confident	89.8	Confident	74 Å²	74	35.6 Å²	35.6	35%	0.346	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-83.6	-6.1	-176.5	-64.8	-172.1	-179.7	0	0	114.3	D110 P111 R353	D110-E113 HydrophobicContact CB-CG 4.14Å; D110-E113 PolarHBondContact O-N 2.71Å; D110-E113 VanDerWaalsContact O-N 3.16Å; P111-E113 PolarHBondContact O-N 2.98Å; E113-R353 WeakPolarHBondContact OE2-CD 3.44Å; E113-R353 IonicContact OE2-NE 2.7Å; E113-R353 IonicContact OE2-NH1 2.78Å
114	F	88.4	Confident	89.9	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-127.1	153.6	-173	-64	-90.2	0	0	0	111.1	G64 V66 M69 F80 L109 D110 P111 E112 M116 R353	G64-F114 VanDerWaalsContact O-CD1 3.25Å; G64-F114 WeakPolarHBondContact O-CD1 3.33Å; V66-F114 HydrophobicContact CB-CD1 4.25Å; V66-F114 HydrophobicContact CG2-CB 3.6Å; V66-F114 HydrophobicContact CG2-CD1 3.29Å; V66-F114 HydrophobicContact CG2-CE1 4.09Å; V66-F114 HydrophobicContact CG2-CG 3.61Å; M69-F114 HydrophobicContact SD-CE1 4.25Å; M69-F114 HydrophobicContact SD-CZ 4.17Å; F80-F114 HydrophobicContact CE1-CD2 4.29Å; L109-F114 HydrophobicContact CB-CD2 4.46Å; L109-F114 HydrophobicContact CB-CE2 3.84Å; L109-F114 HydrophobicContact CB-CZ 4.48Å; L109-F114 HydrophobicContact CD1-CD2 4.45Å; L109-F114 HydrophobicContact CD1-CE1 4.36Å; L109-F114 HydrophobicContact CD1-CE2 3.8Å; L109-F114 HydrophobicContact CD1-CZ 3.72Å; L109-F114 HydrophobicContact CD2-CE2 3.74Å; L109-F114 HydrophobicContact CD2-CZ 3.62Å; L109-F114 HydrophobicContact CG-CE2 4Å; L109-F114 HydrophobicContact CG-CZ 4.14Å; D110-F114 WeakPolarHBondContact O-CD2 3.48Å; P111-F114 PolarHBondContact O-N 2.85Å; E112-F114 VanDerWaalsContact C-N 3.32Å; F114-M116 HydrophobicContact CB-SD 4.36Å; F114-M116 PolarHBondContact O-N 3.21Å; F114-R353 VanDerWaalsContact CE1-NH2 3.28Å; F114-R353 VanDerWaalsContact CZ-CZ 3.42Å
115	D	87.8	Confident	89.8	Confident	55 Å²	55	39.7 Å²	39.7	29%	0.294	19%	0.193	S	C	.	.			trans	-79.6	109.3	167.7	-170.2	-6	0	0	0	109.2	E117 E118	D115-E117 PolarHBondContact O-N 2.85Å; D115-E117 WeakPolarHBondContact OD1-CB 3.45Å; D115-E117 WeakPolarHBondContact OD1-CG 3.5Å; D115-E117 PolarHBondContact OD1-N 3.36Å; D115-E118 HydrophobicContact CB-CG 4.36Å; D115-E118 WeakPolarHBondContact O-CB 3.43Å; D115-E118 PolarHBondContact O-N 3.21Å
116	M	89	Confident	89.6	Confident	6 Å²	6	39.3 Å²	39.3	3%	0.03	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-71.3	-13.4	-179.5	-59.2	-50.7	-68.3	0	0	112.5	F80 P111 F114 E118 L119 L149 Y152	F80-M116 HydrophobicContact CD1-CE 4.37Å; F80-M116 HydrophobicContact CD2-CE 4.21Å; F80-M116 HydrophobicContact CE1-CE 4.16Å; F80-M116 HydrophobicContact CE1-SD 4.22Å; F80-M116 HydrophobicContact CE2-CE 3.99Å; F80-M116 HydrophobicContact CG-CE 4.39Å; F80-M116 HydrophobicContact CZ-CE 3.96Å; F80-M116 HydrophobicContact CZ-SD 4.35Å; P111-M116 HydrophobicContact CB-CE 4.2Å; P111-M116 HydrophobicContact CB-CG 4.45Å; P111-M116 HydrophobicContact CB-SD 3.83Å; F114-M116 HydrophobicContact CB-SD 4.36Å; F114-M116 PolarHBondContact O-N 3.21Å; M116-E118 PolarHBondContact O-N 3.24Å; M116-L119 VanDerWaalsContact O-CB 3.31Å; M116-L119 WeakPolarHBondContact O-CB 3.34Å; M116-L119 PolarHBondContact O-N 2.9Å; M116-L149 HydrophobicContact CE-CB 4.35Å; M116-L149 HydrophobicContact CE-CD1 3.65Å; M116-L149 HydrophobicContact CE-CD2 4.43Å; M116-L149 HydrophobicContact CE-CG 4.35Å; M116-L149 HydrophobicContact CG-CB 4.07Å; M116-Y152 HydrophobicContact CB-CD1 4.15Å; M116-Y152 HydrophobicContact CB-CG 4.3Å; M116-Y152 WeakPolarHBondContact O-CD1 3.47Å; M116-Y152 WeakPolarHBondContact O-CE1 3.45Å
117	E	86.5	Confident	89.2	Confident	125 Å²	125	44.2 Å²	44.2	58%	0.584	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-62.6	-26.9	170.8	-63.7	-171.4	-176.5	0	0	111.8	D115 L119 H120 Y152	D115-E117 PolarHBondContact O-N 2.85Å; D115-E117 WeakPolarHBondContact OD1-CB 3.45Å; D115-E117 WeakPolarHBondContact OD1-CG 3.5Å; D115-E117 PolarHBondContact OD1-N 3.36Å; E117-L119 PolarHBondContact O-N 2.84Å; E117-H120 PolarHBondContact O-CE1 3.47Å; E117-H120 VanDerWaalsContact O-CE1 3.31Å; E117-H120 PolarHBondContact O-ND1 2.98Å; E117-Y152 HydrophobicContact CB-CD2 4.39Å; E117-Y152 HydrophobicContact CB-CE2 4.31Å; E117-Y152 HydrophobicContact CG-CD2 3.84Å; E117-Y152 HydrophobicContact CG-CE2 4.19Å
118	E	87.3	Confident	89.2	Confident	42 Å²	42	43.9 Å²	43.9	20%	0.196	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-74.1	-2.2	176.6	-67.2	-167.8	-175.8	0	0	114.5	S65 V66 D115 M116 H120 L121	S65-E118 WeakPolarHBondContact CA-OE2 3.47Å; S65-E118 WeakPolarHBondContact CB-OE2 3.42Å; S65-E118 PolarHBondContact OG-OE2 3.3Å; V66-E118 PolarHBondContact N-OE2 2.9Å; D115-E118 HydrophobicContact CB-CG 4.36Å; D115-E118 WeakPolarHBondContact O-CB 3.43Å; D115-E118 PolarHBondContact O-N 3.21Å; M116-E118 PolarHBondContact O-N 3.24Å; E118-H120 PolarHBondContact O-N 3.38Å; E118-L121 HydrophobicContact CB-CD1 4Å; E118-L121 HydrophobicContact CB-CG 4.46Å; E118-L121 HydrophobicContact CG-CD1 3.99Å; E118-L121 VanDerWaalsContact O-CB 3.29Å; E118-L121 WeakPolarHBondContact O-CB 3.41Å; E118-L121 PolarHBondContact O-N 3.31Å
119	L	88.2	Confident	89.3	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.021	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-55.3	-31.8	-178.2	-169.6	72.7	0	0	0	112.4	F80 M116 E117 L121 L122 F132 Y152 L160 L163 L189	F80-L119 HydrophobicContact CE2-CD1 4.42Å; M116-L119 VanDerWaalsContact O-CB 3.31Å; M116-L119 WeakPolarHBondContact O-CB 3.34Å; M116-L119 PolarHBondContact O-N 2.9Å; E117-L119 PolarHBondContact O-N 2.84Å; L119-L121 VanDerWaalsContact C-N 3.27Å; L119-L121 PolarHBondContact O-N 2.95Å; L119-L122 HydrophobicContact CD1-CD1 3.74Å; L119-L122 WeakPolarHBondContact O-CB 3.4Å; L119-L122 PolarHBondContact O-N 3.15Å; L119-F132 HydrophobicContact CD1-CZ 4.46Å; L119-Y152 HydrophobicContact CB-CE1 4.09Å; L119-Y152 HydrophobicContact CD2-CE1 4.19Å; L119-L160 HydrophobicContact CD2-CD1 4.19Å; L119-L163 HydrophobicContact CD2-CD2 4.39Å; L119-L163 HydrophobicContact CG-CD2 4.23Å; L119-L189 HydrophobicContact CD2-CD2 4.22Å
120	H	89	Confident	89.5	Confident	78 Å²	78	43.5 Å²	43.5	36%	0.361	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-63.8	-28.4	176.2	71.9	-83.7	0	0	0	113.3	E117 E118 L122 T123 A158 L160	E117-H120 PolarHBondContact O-CE1 3.47Å; E117-H120 VanDerWaalsContact O-CE1 3.31Å; E117-H120 PolarHBondContact O-ND1 2.98Å; E118-H120 PolarHBondContact O-N 3.38Å; H120-L122 PolarHBondContact O-N 3.47Å; H120-T123 WeakPolarHBondContact O-CB 3.43Å; H120-T123 WeakPolarHBondContact O-CG2 3.49Å; H120-T123 PolarHBondContact O-N 3.45Å; H120-T123 VanDerWaalsContact O-N 3.17Å; H120-T123 PolarHBondContact O-OG1 3.1Å; H120-A158 HydrophobicContact CB-CB 4.21Å; H120-L160 HydrophobicContact CB-CD2 4.02Å
121	L	90.2	Very high	89.7	Confident	42 Å²	42	42.6 Å²	42.6	22%	0.22	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-67.9	-18.5	178.1	-59.5	179	0	0	0	112.5	A67 E118 L119 T123 E124	A67-L121 HydrophobicContact CB-CB 3.71Å; A67-L121 HydrophobicContact CB-CD1 4.46Å; E118-L121 HydrophobicContact CB-CD1 4Å; E118-L121 HydrophobicContact CB-CG 4.46Å; E118-L121 HydrophobicContact CG-CD1 3.99Å; E118-L121 VanDerWaalsContact O-CB 3.29Å; E118-L121 WeakPolarHBondContact O-CB 3.41Å; E118-L121 PolarHBondContact O-N 3.31Å; L119-L121 VanDerWaalsContact C-N 3.27Å; L119-L121 PolarHBondContact O-N 2.95Å; L121-T123 PolarHBondContact O-N 3.24Å; L121-E124 WeakPolarHBondContact O-CB 3.31Å; L121-E124 PolarHBondContact O-N 3.42Å
122	L	89.7	Confident	90	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-70.1	-19.8	175.9	-58.7	-175.8	0	0	0	112.8	V66 A67 M70 L78 L119 H120 E124 I125 S128 V130 L163	V66-L122 HydrophobicContact CB-CD2 4.44Å; V66-L122 HydrophobicContact CG1-CD1 4.29Å; V66-L122 HydrophobicContact CG1-CD2 3.95Å; A67-L122 HydrophobicContact CB-CD2 4.08Å; M70-L122 HydrophobicContact SD-CD2 3.66Å; L78-L122 HydrophobicContact CD1-CD1 3.79Å; L78-L122 HydrophobicContact CD1-CD2 4.16Å; L119-L122 HydrophobicContact CD1-CD1 3.74Å; L119-L122 WeakPolarHBondContact O-CB 3.4Å; L119-L122 PolarHBondContact O-N 3.15Å; H120-L122 PolarHBondContact O-N 3.47Å; L122-E124 PolarHBondContact O-N 3.05Å; L122-I125 HydrophobicContact CD2-CD1 4.15Å; L122-I125 PolarHBondContact O-N 3.17Å; L122-S128 PolarHBondContact O-OG 3.37Å; L122-V130 HydrophobicContact CD1-CG2 3.51Å; L122-L163 HydrophobicContact CB-CD1 3.72Å; L122-L163 HydrophobicContact CD1-CD1 4.49Å
123	T	88.8	Confident	90.3	Very high	38 Å²	38	39.2 Å²	39.2	23%	0.233	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-66.4	-23.9	173.9	65.8	0	0	0	0	112.3	H120 L121 I125 C161 L163	H120-T123 WeakPolarHBondContact O-CB 3.43Å; H120-T123 WeakPolarHBondContact O-CG2 3.49Å; H120-T123 PolarHBondContact O-N 3.45Å; H120-T123 VanDerWaalsContact O-N 3.17Å; H120-T123 PolarHBondContact O-OG1 3.1Å; L121-T123 PolarHBondContact O-N 3.24Å; T123-I125 VanDerWaalsContact C-N 3.26Å; T123-I125 PolarHBondContact O-N 2.93Å; T123-C161 WeakPolarHBondContact CG2-O 3.32Å; T123-L163 HydrophobicContact CG2-CB 4.1Å
124	E	88.4	Confident	90.8	Very high	117 Å²	117	35.7 Å²	35.7	55%	0.547	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-75	-16.2	176.4	-56.7	-179.7	172.1	0	0	113	K71 L121 L122 P126	K71-E124 IonicContact NZ-OE2 3.07Å; K71-E124 PolarHBondContact NZ-OE2 3.36Å; L121-E124 WeakPolarHBondContact O-CB 3.31Å; L121-E124 PolarHBondContact O-N 3.42Å; L122-E124 PolarHBondContact O-N 3.05Å; E124-P126 WeakPolarHBondContact O-CD 3.24Å
125	I	86.8	Confident	91.3	Very high	23 Å²	23	36.6 Å²	36.6	12%	0.118	19%	0.193	C	C	.	.	S	Bend	trans	-91.7	112.9	-177.3	-58.3	178.4	0	0	0	108	A67 M70 K71 L122 T123 N127 S128	A67-I125 HydrophobicContact CB-CD1 4.37Å; M70-I125 HydrophobicContact CB-CD1 3.66Å; M70-I125 HydrophobicContact CG-CD1 4.37Å; M70-I125 HydrophobicContact SD-CD1 3.9Å; K71-I125 HydrophobicContact CG-CD1 4.17Å; K71-I125 HydrophobicContact CG-CG1 4.38Å; L122-I125 HydrophobicContact CD2-CD1 4.15Å; L122-I125 PolarHBondContact O-N 3.17Å; T123-I125 VanDerWaalsContact C-N 3.26Å; T123-I125 PolarHBondContact O-N 2.93Å; I125-N127 PolarHBondContact O-N 3.32Å; I125-S128 WeakPolarHBondContact O-CB 3.48Å; I125-S128 PolarHBondContact O-N 3.49Å; I125-S128 PolarHBondContact O-OG 3.41Å
126	P	83.9	Confident	91.6	Very high	109 Å²	109	35.2 Å²	35.2	71%	0.708	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	137.1	-179.1	-22.5	33.4	0	0	0	111.3	E124 S128	E124-P126 WeakPolarHBondContact O-CD 3.24Å; P126-S128 PolarHBondContact O-N 3.4Å; P126-S128 VanDerWaalsContact O-N 3.13Å
127	N	85.4	Confident	91.4	Very high	110 Å²	110	39 Å²	39	59%	0.588	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	26.5	178	-55.6	-40.1	0	0	0	114	I125 F228	I125-N127 PolarHBondContact O-N 3.32Å; N127-F228 HydrophobicContact CB-CD1 3.97Å; N127-F228 HydrophobicContact CB-CE1 3.71Å
128	S	91.5	Very high	91.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	18%	0.182	C	C	.	.			trans	-66.4	145.3	171.2	66.7	0	0	0	0	110.2	L122 I125 P126 N164	L122-S128 PolarHBondContact O-OG 3.37Å; I125-S128 WeakPolarHBondContact O-CB 3.48Å; I125-S128 PolarHBondContact O-N 3.49Å; I125-S128 PolarHBondContact O-OG 3.41Å; P126-S128 PolarHBondContact O-N 3.4Å; P126-S128 VanDerWaalsContact O-N 3.13Å; S128-N164 WeakPolarHBondContact O-CB 3.49Å; S128-N164 PolarHBondContact O-ND2 2.87Å; S128-N164 VanDerWaalsContact O-ND2 3.13Å
129	L	95.7	Very high	91.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.4	174.4	172.9	59.2	0	0	0	109.8	N76 M77 L78 M104 V131 N164 I197 F220 V224 F228	N76-L129 PolarHBondContact O-N 3.47Å; M77-L129 CarbonylContact C-O 3.54Å; M77-L129 VanDerWaalsContact CA-O 3.29Å; M77-L129 WeakPolarHBondContact CA-O 3.46Å; M77-L129 HydrophobicContact CE-CD2 4.16Å; M77-L129 HydrophobicContact CG-CB 4.43Å; M77-L129 HydrophobicContact CG-CD2 4.21Å; M77-L129 HydrophobicContact CG-CG 4.3Å; M77-L129 HydrophobicContact SD-CD2 4.24Å; L78-L129 PolarHBondContact N-O 3.33Å; M104-L129 HydrophobicContact CE-CB 4.5Å; M104-L129 HydrophobicContact CE-CD2 4.3Å; L129-V131 HydrophobicContact CD1-CG2 4.29Å; L129-V131 HydrophobicContact CD2-CG2 4.23Å; L129-V131 HydrophobicContact CG-CG2 4.06Å; L129-N164 HydrophobicContact CD1-CB 4.06Å; L129-I197 HydrophobicContact CD1-CD1 3.33Å; L129-I197 HydrophobicContact CD1-CG1 3.74Å; L129-I197 HydrophobicContact CD2-CD1 3.69Å; L129-I197 HydrophobicContact CG-CD1 4.17Å; L129-F220 HydrophobicContact CD2-CE2 4.41Å; L129-F220 HydrophobicContact CD2-CZ 4.04Å; L129-V224 HydrophobicContact CD2-CG2 4.02Å; L129-F228 HydrophobicContact CB-CE2 4.36Å; L129-F228 HydrophobicContact CB-CZ 4.21Å; L129-F228 HydrophobicContact CD2-CE2 4.24Å
130	V	96.7	Very high	91.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.3	173.4	-171.4	0	0	0	0	110.2	L78 F80 L122 F132 L163 N164 Y165 A166	L78-V130 HydrophobicContact CB-CG1 4.47Å; L78-V130 CarbonylContact O-C 3.54Å; L78-V130 WeakPolarHBondContact O-CA 3.32Å; F80-V130 HydrophobicContact CD2-CG1 3.66Å; F80-V130 HydrophobicContact CE2-CG1 3.82Å; L122-V130 HydrophobicContact CD1-CG2 3.51Å; V130-F132 HydrophobicContact CB-CE2 4.16Å; V130-F132 HydrophobicContact CB-CZ 4.5Å; V130-F132 HydrophobicContact CG1-CD2 4.25Å; V130-F132 HydrophobicContact CG1-CE1 4.24Å; V130-F132 HydrophobicContact CG1-CE2 3.51Å; V130-F132 HydrophobicContact CG1-CZ 3.51Å; V130-L163 HydrophobicContact CG2-CD1 3.78Å; V130-N164 PolarHBondContact N-O 2.86Å; V130-Y165 WeakPolarHBondContact O-CA 3.27Å; V130-Y165 WeakPolarHBondContact O-CB 3.48Å; V130-A166 PolarHBondContact O-N 3.35Å; V130-A166 VanDerWaalsContact O-N 3.12Å
131	V	98.3	Very high	91.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	142.2	176.7	-177.2	0	0	0	0	109.5	M77 L78 I79 F80 L95 L129 A166 W216 F220	M77-V131 HydrophobicContact CE-CB 4.32Å; M77-V131 HydrophobicContact CE-CG2 3.5Å; M77-V131 VanDerWaalsContact CE-CG2 3.5Å; L78-V131 PolarHBondContact O-N 3.07Å; I79-V131 CarbonylContact C-O 3.56Å; I79-V131 VanDerWaalsContact CA-O 3.28Å; I79-V131 WeakPolarHBondContact CA-O 3.26Å; I79-V131 HydrophobicContact CG1-CB 4.31Å; I79-V131 HydrophobicContact CG2-CB 4.06Å; I79-V131 HydrophobicContact CG2-CG1 4.18Å; F80-V131 PolarHBondContact N-O 2.97Å; L95-V131 HydrophobicContact CD1-CG1 4.06Å; L129-V131 HydrophobicContact CD1-CG2 4.29Å; L129-V131 HydrophobicContact CD2-CG2 4.23Å; L129-V131 HydrophobicContact CG-CG2 4.06Å; V131-A166 CarbonylContact C-O 3.58Å; V131-A166 WeakPolarHBondContact CA-O 3.29Å; V131-A166 HydrophobicContact CG1-CB 4.49Å; V131-A166 HydrophobicContact CG2-CB 4.28Å; V131-W216 HydrophobicContact CG1-CH2 3.99Å; V131-F220 HydrophobicContact CG2-CE2 3.78Å; V131-F220 HydrophobicContact CG2-CZ 3.7Å
132	F	98.6	Very high	91.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.2	178.1	-62.1	-91.6	0	0	0	110.3	F80 L119 V130 L134 L149 A166 V167 F168 V185 L189	F80-F132 HydrophobicContact CB-CD1 3.86Å; F80-F132 HydrophobicContact CB-CE1 4.12Å; F80-F132 HydrophobicContact CD2-CD1 4.28Å; F80-F132 AromaticContact CD2-CE1 3.74Å; F80-F132 HydrophobicContact CD2-CE1 3.74Å; F80-F132 HydrophobicContact CD2-CZ 4.22Å; F80-F132 HydrophobicContact CG-CE1 4.28Å; F80-F132 CarbonylContact O-C 3.28Å; F80-F132 WeakPolarHBondContact O-CA 3.39Å; L119-F132 HydrophobicContact CD1-CZ 4.46Å; V130-F132 HydrophobicContact CB-CE2 4.16Å; V130-F132 HydrophobicContact CB-CZ 4.5Å; V130-F132 HydrophobicContact CG1-CD2 4.25Å; V130-F132 HydrophobicContact CG1-CE1 4.24Å; V130-F132 HydrophobicContact CG1-CE2 3.51Å; V130-F132 HydrophobicContact CG1-CZ 3.51Å; F132-L134 HydrophobicContact CB-CD1 3.86Å; F132-L134 HydrophobicContact CB-CG 3.94Å; F132-L149 HydrophobicContact CD1-CD2 3.83Å; F132-L149 HydrophobicContact CE1-CD1 4.22Å; F132-L149 HydrophobicContact CE1-CD2 3.78Å; F132-A166 PolarHBondContact N-O 3.45Å; F132-V167 HydrophobicContact CB-CG1 4.3Å; F132-V167 HydrophobicContact CB-CG2 4.28Å; F132-V167 HydrophobicContact CD2-CG2 4.27Å; F132-V167 CarbonylContact O-C 3.52Å; F132-V167 WeakPolarHBondContact O-CA 3.46Å; F132-F168 PolarHBondContact O-N 2.9Å; F132-V185 HydrophobicContact CD2-CG1 4.34Å; F132-V185 HydrophobicContact CG-CG1 4.27Å; F132-L189 HydrophobicContact CD2-CD1 4.07Å; F132-L189 HydrophobicContact CE2-CD1 3.61Å; F132-L189 HydrophobicContact CZ-CD1 4.28Å
133	C	98.6	Very high	91.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	101.8	169.1	-66.2	0	0	0	0	108.4	F80 Y81 G82 A88 A92 F168 L170	F80-C133 PolarHBondContact O-N 2.96Å; Y81-C133 CarbonylContact C-O 3.57Å; Y81-C133 VanDerWaalsContact CA-O 3.26Å; Y81-C133 WeakPolarHBondContact CA-O 3.23Å; G82-C133 PolarHBondContact N-O 3.44Å; A88-C133 HydrophobicContact CB-CB 4.29Å; A92-C133 HydrophobicContact CB-CB 4.42Å; C133-F168 CarbonylContact C-O 3.6Å; C133-F168 WeakPolarHBondContact CA-O 3.27Å; C133-L170 HydrophobicContact CB-CD1 4.46Å
134	L	98.6	Very high	91.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	113.8	-166.5	-62	171.6	0	0	0	111.6	F132 A146 L149 V167 F168 G169 L170 M181 V185	F132-L134 HydrophobicContact CB-CD1 3.86Å; F132-L134 HydrophobicContact CB-CG 3.94Å; L134-A146 HydrophobicContact CD2-CB 4.36Å; L134-L149 HydrophobicContact CD2-CD2 4.31Å; L134-V167 HydrophobicContact CD1-CG1 4.45Å; L134-F168 PolarHBondContact N-O 2.89Å; L134-G169 WeakPolarHBondContact O-CA 3.39Å; L134-L170 PolarHBondContact O-N 2.86Å; L134-M181 HydrophobicContact CB-CG 4.23Å; L134-M181 HydrophobicContact CD1-CE 4.41Å; L134-M181 HydrophobicContact CD1-CG 4.33Å; L134-V185 HydrophobicContact CD1-CB 3.79Å; L134-V185 HydrophobicContact CD1-CG1 4.07Å; L134-V185 HydrophobicContact CD1-CG2 3.48Å; L134-V185 VanDerWaalsContact CD1-CG2 3.48Å
135	A	97.7	Very high	92	Very high	18 Å²	18	33.7 Å²	33.7	15%	0.149	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	144.4	166.2	0	0	0	0	0	111.1	G82 T143 L170	G82-A135 WeakPolarHBondContact O-CB 3.4Å; G82-A135 PolarHBondContact O-N 3.41Å; A135-T143 HydrophobicContact CB-CG2 3.74Å; A135-L170 CarbonylContact C-O 3.55Å; A135-L170 VanDerWaalsContact CA-O 3.3Å; A135-L170 WeakPolarHBondContact CA-O 3.47Å; A135-L170 HydrophobicContact CB-CB 4.07Å
136	T	95.8	Very high	92.5	Very high	26 Å²	26	32.6 Å²	32.6	16%	0.16	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	137.7	169.7	-55	0	0	0	0	108.9	G140 L170 N179 A180 M181	T136-G140 VanDerWaalsContact CG2-CA 3.48Å; T136-L170 PolarHBondContact N-O 2.72Å; T136-N179 WeakPolarHBondContact OG1-CA 3.34Å; T136-A180 HydrophobicContact CG2-CB 3.96Å; T136-A180 PolarHBondContact OG1-N 2.83Å; T136-M181 PolarHBondContact OG1-N 3.29Å
137	Y	84.8	Confident	92.9	Very high	86 Å²	86	33.8 Å²	33.8	34%	0.337	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	151.7	-175.6	-161.4	-101.7	0	0	0	111.6	Q84 E139 G140 D141 L511	Q84-Y137 HydrophobicContact CB-CD2 4.4Å; Q84-Y137 HydrophobicContact CB-CE2 4.48Å; Q84-Y137 HydrophobicContact CG-CD2 3.83Å; Q84-Y137 HydrophobicContact CG-CE2 4.14Å; Q84-Y137 HydrophobicContact CG-CG 4.19Å; Y137-E139 PolarHBondContact O-N 3.35Å; Y137-G140 PolarHBondContact O-N 2.91Å; Y137-D141 PolarHBondContact N-O 2.88Å; Y137-D141 WeakPolarHBondContact O-CA 3.26Å; Y137-D141 WeakPolarHBondContact O-CB 3.48Å; Y137-D141 PolarHBondContact O-N 3.48Å; Y137-L511 HydrophobicContact CD1-CD2 4.4Å; Y137-L511 HydrophobicContact CE1-CB 4.19Å; Y137-L511 HydrophobicContact CE1-CD2 3.53Å; Y137-L511 HydrophobicContact CE1-CG 4.33Å
138	G	82.7	Confident	93.2	Very high	18 Å²	18	30.4 Å²	30.4	19%	0.186	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	-129.8	179.9	0	0	0	0	0	112.8	G140	G138-G140 PolarHBondContact O-N 2.88Å
139	E	86.4	Confident	93.4	Very high	108 Å²	108	30.4 Å²	30.4	51%	0.505	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	40.6	-179	-64.4	-64.6	171	0	0	113.5	Y137 H177	Y137-E139 PolarHBondContact O-N 3.35Å; E139-H177 PolarHBondContact O-CD2 3.42Å; E139-H177 IonicContact OE2-CD2 3.97Å; E139-H177 PolarHBondContact OE2-CD2 3.44Å; E139-H177 IonicContact OE2-NE2 3.93Å
140	G	90.7	Very high	93.4	Very high	15 Å²	15	31.8 Å²	31.8	16%	0.155	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	10	-180	0	0	0	0	0	115.2	T136 Y137 G138	T136-G140 VanDerWaalsContact CG2-CA 3.48Å; Y137-G140 PolarHBondContact O-N 2.91Å; G138-G140 PolarHBondContact O-N 2.88Å
141	D	92.7	Very high	93.3	Very high	82 Å²	82	34.8 Å²	34.8	44%	0.439	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	157.2	-179.6	-72.1	-45.3	0	0	0	112.7	Y137	Y137-D141 PolarHBondContact N-O 2.88Å; Y137-D141 WeakPolarHBondContact O-CA 3.26Å; Y137-D141 WeakPolarHBondContact O-CB 3.48Å; Y137-D141 PolarHBondContact O-N 3.48Å
142	P	95.3	Very high	93.1	Very high	16 Å²	16	36.2 Å²	36.2	10%	0.104	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	160.6	167.9	31.4	-37.8	0	0	0	111.5	A146 H150 M181	P142-A146 HydrophobicContact CB-CB 4.31Å; P142-H150 HydrophobicContact CB-CB 3.97Å; P142-H150 HydrophobicContact CG-CB 3.79Å; P142-M181 HydrophobicContact CB-CE 4Å; P142-M181 HydrophobicContact CB-CG 4.23Å; P142-M181 HydrophobicContact CB-SD 3.86Å
143	T	92.2	Very high	92.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-65.7	157	163.6	59.6	0	0	0	0	111	G82 S83 Q84 A135 N145 A146 R147	G82-T143 WeakPolarHBondContact CA-OG1 3.18Å; S83-T143 PolarHBondContact N-OG1 3.24Å; Q84-T143 HydrophobicContact CG-CG2 3.78Å; A135-T143 HydrophobicContact CB-CG2 3.74Å; T143-N145 PolarHBondContact O-N 2.89Å; T143-N145 VanDerWaalsContact O-N 3.16Å; T143-N145 PolarHBondContact OG1-OD1 2.96Å; T143-A146 CarbonylContact O-C 3.51Å; T143-A146 WeakPolarHBondContact O-CA 3.22Å; T143-A146 PolarHBondContact O-N 3.01Å; T143-A146 WeakPolarHBondContact OG1-CB 3.48Å; T143-R147 PolarHBondContact O-N 3.32Å
144	D	89	Confident	92.8	Very high	79 Å²	79	41 Å²	41	42%	0.422	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-52.9	-43.8	-176.8	-67.4	-29.1	0	0	0	112.2	Q84 A146 R147	Q84-D144 PolarHBondContact NE2-OD1 3.43Å; Q84-D144 PolarHBondContact NE2-OD2 3.07Å; D144-A146 VanDerWaalsContact C-N 3.27Å; D144-A146 PolarHBondContact O-N 3.37Å; D144-R147 WeakPolarHBondContact O-CB 3.48Å; D144-R147 PolarHBondContact O-N 3.1Å
145	N	91.8	Very high	92.6	Very high	15 Å²	15	49.3 Å²	49.3	8%	0.08	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-73.9	-15.6	-178.3	82.8	-50.5	0	0	0	113.7	Y81 G82 S83 D110 P111 E112 T143	Y81-N145 PolarHBondContact O-ND2 3.45Å; G82-N145 WeakPolarHBondContact CA-OD1 3.25Å; S83-N145 PolarHBondContact N-OD1 3.38Å; S83-N145 PolarHBondContact O-OD1 3.49Å; D110-N145 WeakPolarHBondContact OD1-CB 3.14Å; D110-N145 PolarHBondContact OD1-ND2 2.84Å; P111-N145 WeakPolarHBondContact CG-O 3.39Å; E112-N145 HydrophobicContact CB-CB 4.28Å; E112-N145 PolarHBondContact N-O 2.92Å; T143-N145 PolarHBondContact O-N 2.89Å; T143-N145 VanDerWaalsContact O-N 3.16Å; T143-N145 PolarHBondContact OG1-OD1 2.96Å
146	A	95.5	Very high	92.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-102.5	5.3	177.1	0	0	0	0	0	113.5	P111 L134 P142 T143 D144 L149 H150	P111-A146 HydrophobicContact CG-CB 4.41Å; L134-A146 HydrophobicContact CD2-CB 4.36Å; P142-A146 HydrophobicContact CB-CB 4.31Å; T143-A146 CarbonylContact O-C 3.51Å; T143-A146 WeakPolarHBondContact O-CA 3.22Å; T143-A146 PolarHBondContact O-N 3.01Å; T143-A146 WeakPolarHBondContact OG1-CB 3.48Å; D144-A146 VanDerWaalsContact C-N 3.27Å; D144-A146 PolarHBondContact O-N 3.37Å; A146-L149 WeakPolarHBondContact O-CB 3.38Å; A146-L149 PolarHBondContact O-N 3.5Å; A146-H150 PolarHBondContact O-N 2.96Å
147	R	93	Very high	91.8	Very high	134 Å²	134	56.2 Å²	56.2	51%	0.506	26%	0.263	S	S	.	.	H	α-helix	trans	-61.3	-47.2	-177.7	-173	-175.8	67.8	-166.5	-2.2	112.6	T143 D144 L149 H150 E151	T143-R147 PolarHBondContact O-N 3.32Å; D144-R147 WeakPolarHBondContact O-CB 3.48Å; D144-R147 PolarHBondContact O-N 3.1Å; R147-L149 VanDerWaalsContact C-N 3.3Å; R147-L149 PolarHBondContact O-N 3.22Å; R147-H150 WeakPolarHBondContact O-CA 3.19Å; R147-H150 WeakPolarHBondContact O-CB 3.39Å; R147-H150 PolarHBondContact O-N 3.31Å; R147-E151 IonicContact NE-OE1 3.6Å; R147-E151 PolarHBondContact O-N 3.28Å
148	D	92.5	Very high	91.8	Very high	40 Å²	40	53.8 Å²	53.8	21%	0.214	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-36.4	-178.2	-72	15.6	0	0	0	111.5	R63 E151 Y152	R63-D148 IonicContact CZ-OD2 3.16Å; R63-D148 VanDerWaalsContact CZ-OD2 3.23Å; R63-D148 IonicContact NH1-OD2 3.79Å; R63-D148 PolarHBondContact NH1-OD2 3.13Å; R63-D148 IonicContact NH2-OD2 2.71Å; R63-D148 PolarHBondContact NH2-OD2 3.28Å; D148-E151 PolarHBondContact O-N 2.98Å; D148-Y152 VanDerWaalsContact O-CB 3.29Å; D148-Y152 WeakPolarHBondContact O-CB 3.23Å; D148-Y152 PolarHBondContact O-N 3.12Å
149	L	95.4	Very high	92.2	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.9	-46.6	170.1	169.9	58.5	0	0	0	111.3	P111 M116 F132 L134 A146 R147 L153	P111-L149 HydrophobicContact CB-CB 4.35Å; M116-L149 HydrophobicContact CE-CB 4.35Å; M116-L149 HydrophobicContact CE-CD1 3.65Å; M116-L149 HydrophobicContact CE-CD2 4.43Å; M116-L149 HydrophobicContact CE-CG 4.35Å; M116-L149 HydrophobicContact CG-CB 4.07Å; F132-L149 HydrophobicContact CD1-CD2 3.83Å; F132-L149 HydrophobicContact CE1-CD1 4.22Å; F132-L149 HydrophobicContact CE1-CD2 3.78Å; L134-L149 HydrophobicContact CD2-CD2 4.31Å; A146-L149 WeakPolarHBondContact O-CB 3.38Å; A146-L149 PolarHBondContact O-N 3.5Å; R147-L149 VanDerWaalsContact C-N 3.3Å; R147-L149 PolarHBondContact O-N 3.22Å; L149-L153 HydrophobicContact CD1-CD1 3.56Å; L149-L153 HydrophobicContact CD1-CG 3.92Å; L149-L153 HydrophobicContact CG-CD1 4.13Å; L149-L153 WeakPolarHBondContact O-CB 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.43Å; L149-L153 PolarHBondContact O-N 3.09Å
150	H	95.7	Very high	92.4	Very high	29 Å²	29	52.8 Å²	52.8	13%	0.134	26%	0.255	C	S	.	.	H	α-helix	trans	-60.6	-49.5	177.5	-179.9	-120.2	0	0	0	111.6	P142 A146 R147 L153 Q154 M181 F184	P142-H150 HydrophobicContact CB-CB 3.97Å; P142-H150 HydrophobicContact CG-CB 3.79Å; A146-H150 PolarHBondContact O-N 2.96Å; R147-H150 WeakPolarHBondContact O-CA 3.19Å; R147-H150 WeakPolarHBondContact O-CB 3.39Å; R147-H150 PolarHBondContact O-N 3.31Å; H150-L153 PolarHBondContact O-N 3.43Å; H150-Q154 PolarHBondContact CE1-NE2 2.92Å; H150-Q154 PolarHBondContact NE2-NE2 3.01Å; H150-Q154 WeakPolarHBondContact O-CG 3.36Å; H150-Q154 PolarHBondContact O-N 2.75Å; H150-M181 HydrophobicContact CB-CE 3.67Å; H150-M181 HydrophobicContact CB-SD 4.18Å; H150-F184 AromaticContact CD2-CD1 3.52Å; H150-F184 AromaticContact CD2-CE1 3.33Å; H150-F184 WeakPolarHBondContact CD2-CE1 3.43Å; H150-F184 AromaticContact CD2-CZ 3.88Å; H150-F184 AromaticContact NE2-CE1 3.99Å
151	E	94.5	Very high	92.4	Very high	63 Å²	63	54.7 Å²	54.7	29%	0.294	27%	0.265	S	S	.	.	H	α-helix	trans	-61.8	-44.4	178.7	-73.1	-167.3	-148.8	0	0	112.8	R147 D148 Q154 R155	R147-E151 IonicContact NE-OE1 3.6Å; R147-E151 PolarHBondContact O-N 3.28Å; D148-E151 PolarHBondContact O-N 2.98Å; E151-Q154 PolarHBondContact O-N 2.99Å; E151-R155 PolarHBondContact O-N 3.48Å; E151-R155 IonicContact OE2-CZ 3.68Å; E151-R155 IonicContact OE2-NH1 3.52Å; E151-R155 IonicContact OE2-NH2 3.03Å; E151-R155 PolarHBondContact OE2-NH2 2.83Å
152	Y	93.6	Very high	92.3	Very high	31 Å²	31	56.8 Å²	56.8	12%	0.122	28%	0.277	C	S	.	.	H	α-helix	trans	-57.2	-54.3	174.3	165.8	-111.1	0	0	0	110.1	M116 E117 L119 D148 Q154 R155 A156	M116-Y152 HydrophobicContact CB-CD1 4.15Å; M116-Y152 HydrophobicContact CB-CG 4.3Å; M116-Y152 WeakPolarHBondContact O-CD1 3.47Å; M116-Y152 WeakPolarHBondContact O-CE1 3.45Å; E117-Y152 HydrophobicContact CB-CD2 4.39Å; E117-Y152 HydrophobicContact CB-CE2 4.31Å; E117-Y152 HydrophobicContact CG-CD2 3.84Å; E117-Y152 HydrophobicContact CG-CE2 4.19Å; L119-Y152 HydrophobicContact CB-CE1 4.09Å; L119-Y152 HydrophobicContact CD2-CE1 4.19Å; D148-Y152 VanDerWaalsContact O-CB 3.29Å; D148-Y152 WeakPolarHBondContact O-CB 3.23Å; D148-Y152 PolarHBondContact O-N 3.12Å; Y152-Q154 VanDerWaalsContact C-N 3.28Å; Y152-Q154 PolarHBondContact O-N 3.42Å; Y152-R155 CarbonylContact O-C 3.6Å; Y152-R155 PolarHBondContact O-N 3.35Å; Y152-A156 HydrophobicContact CD2-CB 4.43Å; Y152-A156 HydrophobicContact CE1-CB 4.26Å; Y152-A156 HydrophobicContact CE2-CB 4.04Å; Y152-A156 WeakPolarHBondContact O-CA 3.27Å; Y152-A156 VanDerWaalsContact O-CB 3.25Å; Y152-A156 WeakPolarHBondContact O-CB 3.49Å; Y152-A156 PolarHBondContact O-N 3.46Å
153	L	95.4	Very high	92.3	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63	-33.4	-178.5	-75.7	174.8	0	0	0	112.1	L149 H150 R155 A156 F184 V185 K188 L189 L192	L149-L153 HydrophobicContact CD1-CD1 3.56Å; L149-L153 HydrophobicContact CD1-CG 3.92Å; L149-L153 HydrophobicContact CG-CD1 4.13Å; L149-L153 WeakPolarHBondContact O-CB 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.43Å; L149-L153 PolarHBondContact O-N 3.09Å; H150-L153 PolarHBondContact O-N 3.43Å; L153-R155 VanDerWaalsContact C-N 3.28Å; L153-R155 PolarHBondContact O-N 3.39Å; L153-A156 PolarHBondContact O-N 3.35Å; L153-F184 HydrophobicContact CB-CE1 3.8Å; L153-F184 HydrophobicContact CB-CZ 4.05Å; L153-F184 HydrophobicContact CD1-CE1 4.48Å; L153-V185 HydrophobicContact CD1-CB 4.27Å; L153-V185 HydrophobicContact CD1-CG1 3.99Å; L153-V185 HydrophobicContact CD1-CG2 3.76Å; L153-K188 HydrophobicContact CB-CG 4.13Å; L153-K188 HydrophobicContact CD2-CG 4.38Å; L153-K188 WeakPolarHBondContact O-CE 3.29Å; L153-K188 WeakPolarHBondContact O-CG 3.34Å; L153-L189 HydrophobicContact CD2-CD2 4.1Å; L153-L192 HydrophobicContact CD2-CD1 4.26Å
154	Q	94.9	Very high	92.5	Very high	100 Å²	100	56.7 Å²	56.7	47%	0.467	28%	0.275	S	S	.	.	H	α-helix	trans	-58.6	-41.3	174.3	-77.8	-177.9	-18.4	0	0	112.1	H150 E151 Y152 F184	H150-Q154 PolarHBondContact CE1-NE2 2.92Å; H150-Q154 PolarHBondContact NE2-NE2 3.01Å; H150-Q154 WeakPolarHBondContact O-CG 3.36Å; H150-Q154 PolarHBondContact O-N 2.75Å; E151-Q154 PolarHBondContact O-N 2.99Å; Y152-Q154 VanDerWaalsContact C-N 3.28Å; Y152-Q154 PolarHBondContact O-N 3.42Å; Q154-F184 HydrophobicContact CB-CZ 4.43Å; Q154-F184 HydrophobicContact CG-CE2 4.07Å; Q154-F184 HydrophobicContact CG-CZ 3.64Å
155	R	94.2	Very high	92.9	Very high	174 Å²	174	52.9 Å²	52.9	66%	0.657	26%	0.255	S	S	*	.	H	α-helix	trans	-93.8	-16	-175.7	-58.4	176.2	-166.3	140.5	12.6	113.3	E151 Y152 L153 Q157	E151-R155 PolarHBondContact O-N 3.48Å; E151-R155 IonicContact OE2-CZ 3.68Å; E151-R155 IonicContact OE2-NH1 3.52Å; E151-R155 IonicContact OE2-NH2 3.03Å; E151-R155 PolarHBondContact OE2-NH2 2.83Å; Y152-R155 CarbonylContact O-C 3.6Å; Y152-R155 PolarHBondContact O-N 3.35Å; L153-R155 VanDerWaalsContact C-N 3.28Å; L153-R155 PolarHBondContact O-N 3.39Å; R155-Q157 PolarHBondContact O-N 3.2Å
156	A	89.6	Confident	93.3	Very high	6 Å²	6	52.2 Å²	52.2	5%	0.05	25%	0.251	C	S	.	.			trans	-59.7	131.4	-173.2	0	0	0	0	0	112.1	Y152 L153 K188 L192	Y152-A156 HydrophobicContact CD2-CB 4.43Å; Y152-A156 HydrophobicContact CE1-CB 4.26Å; Y152-A156 HydrophobicContact CE2-CB 4.04Å; Y152-A156 WeakPolarHBondContact O-CA 3.27Å; Y152-A156 VanDerWaalsContact O-CB 3.25Å; Y152-A156 WeakPolarHBondContact O-CB 3.49Å; Y152-A156 PolarHBondContact O-N 3.46Å; L153-A156 PolarHBondContact O-N 3.35Å; A156-K188 PolarHBondContact O-NZ 2.93Å; A156-L192 HydrophobicContact CB-CD1 3.9Å
157	Q	87	Confident	93.4	Very high	183 Å²	183	52.2 Å²	52.2	86%	0.855	25%	0.251	S	S	*	.			trans	-124.7	0.3	172.1	-60.2	180	18.6	0	0	111.7	R155	R155-Q157 PolarHBondContact O-N 3.2Å
158	A	85.7	Confident	93.7	Very high	35 Å²	35	45.9 Å²	45.9	29%	0.289	23%	0.228	S	C	.	.			trans	-62.3	142.8	179	0	0	0	0	0	110.8	H120 L160 L192	H120-A158 HydrophobicContact CB-CB 4.21Å; A158-L160 PolarHBondContact O-N 3.38Å; A158-L192 WeakPolarHBondContact O-CD2 3.45Å
159	D	90.1	Very high	94	Very high	106 Å²	106	44 Å²	44	57%	0.567	22%	0.217	S	C	*	.			trans	-75.5	122.3	171.6	-172.2	5.8	0	0	0	109.4	C161	D159-C161 VanDerWaalsContact OD1-CB 3.29Å; D159-C161 WeakPolarHBondContact OD1-CB 3.47Å; D159-C161 PolarHBondContact OD1-N 3.06Å; D159-C161 PolarHBondContact OD1-SG 2.96Å
160	L	92.5	Very high	94.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.22	C	C	.	.			trans	-107.4	20.9	176.5	-59.1	-179.1	0	0	0	111.3	L119 H120 A158 N162 L163 L189 L192 A194	L119-L160 HydrophobicContact CD2-CD1 4.19Å; H120-L160 HydrophobicContact CB-CD2 4.02Å; A158-L160 PolarHBondContact O-N 3.38Å; L160-N162 PolarHBondContact O-N 2.85Å; L160-L163 HydrophobicContact CB-CB 4.28Å; L160-L163 HydrophobicContact CB-CD2 4.36Å; L160-L163 HydrophobicContact CD1-CD2 4.26Å; L160-L163 HydrophobicContact CD2-CD2 4.49Å; L160-L163 VanDerWaalsContact O-CB 3.23Å; L160-L163 WeakPolarHBondContact O-CB 3.44Å; L160-L163 PolarHBondContact O-N 2.9Å; L160-L189 HydrophobicContact CD1-CD2 3.6Å; L160-L192 HydrophobicContact CB-CB 4.22Å; L160-L192 HydrophobicContact CD1-CB 4.01Å; L160-L192 HydrophobicContact CD1-CD1 3.78Å; L160-L192 HydrophobicContact CG-CB 4.06Å; L160-L192 HydrophobicContact CG-CD1 4.38Å; L160-L192 PolarHBondContact N-O 3.32Å; L160-A194 HydrophobicContact CB-CB 4.08Å; L160-A194 WeakPolarHBondContact O-CA 3.33Å
161	C	90.4	Very high	94.1	Very high	54 Å²	54	43.5 Å²	43.5	37%	0.365	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	137.1	167.5	-79	0	0	0	0	110.4	T123 D159 L163	T123-C161 WeakPolarHBondContact CG2-O 3.32Å; D159-C161 VanDerWaalsContact OD1-CB 3.29Å; D159-C161 WeakPolarHBondContact OD1-CB 3.47Å; D159-C161 PolarHBondContact OD1-N 3.06Å; D159-C161 PolarHBondContact OD1-SG 2.96Å; C161-L163 VanDerWaalsContact C-N 3.26Å; C161-L163 PolarHBondContact O-N 3.5Å
162	N	90.4	Very high	94.1	Very high	127 Å²	127	41.9 Å²	41.9	68%	0.679	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	-6.8	-174.1	-45.8	-50.3	0	0	0	116.5	L160 N164	L160-N162 PolarHBondContact O-N 2.85Å; N162-N164 PolarHBondContact O-N 3.13Å
163	L	94.3	Very high	94.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.231	C	C	.	.			trans	-74.9	114.8	171	-170.9	67	0	0	0	109.7	L119 L122 T123 V130 L160 C161 A194 N195	L119-L163 HydrophobicContact CD2-CD2 4.39Å; L119-L163 HydrophobicContact CG-CD2 4.23Å; L122-L163 HydrophobicContact CB-CD1 3.72Å; L122-L163 HydrophobicContact CD1-CD1 4.49Å; T123-L163 HydrophobicContact CG2-CB 4.1Å; V130-L163 HydrophobicContact CG2-CD1 3.78Å; L160-L163 HydrophobicContact CB-CB 4.28Å; L160-L163 HydrophobicContact CB-CD2 4.36Å; L160-L163 HydrophobicContact CD1-CD2 4.26Å; L160-L163 HydrophobicContact CD2-CD2 4.49Å; L160-L163 VanDerWaalsContact O-CB 3.23Å; L160-L163 WeakPolarHBondContact O-CB 3.44Å; L160-L163 PolarHBondContact O-N 2.9Å; C161-L163 VanDerWaalsContact C-N 3.26Å; C161-L163 PolarHBondContact O-N 3.5Å; L163-A194 HydrophobicContact CB-CB 4.23Å; L163-N195 PolarHBondContact O-N 2.84Å
164	N	97.1	Very high	93.8	Very high	14 Å²	14	50.9 Å²	50.9	8%	0.075	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	134.4	170.3	-59.5	-57.7	0	0	0	109.7	S128 L129 V130 N162 N195 I197 H227 F228	S128-N164 WeakPolarHBondContact O-CB 3.49Å; S128-N164 PolarHBondContact O-ND2 2.87Å; S128-N164 VanDerWaalsContact O-ND2 3.13Å; L129-N164 HydrophobicContact CD1-CB 4.06Å; V130-N164 PolarHBondContact N-O 2.86Å; N162-N164 PolarHBondContact O-N 3.13Å; N164-N195 CarbonylContact C-O 3.56Å; N164-N195 WeakPolarHBondContact CA-O 3.38Å; N164-N195 PolarHBondContact OD1-ND2 3.2Å; N164-I197 HydrophobicContact CB-CG2 3.68Å; N164-H227 PolarHBondContact OD1-NE2 3.24Å; N164-F228 HydrophobicContact CB-CZ 4.32Å
165	Y	98	Very high	93.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	158.2	179.7	84.4	-82.2	0	0	0	114.8	V130 V167 D186 L189 A194 N195 R196 I197	V130-Y165 WeakPolarHBondContact O-CA 3.27Å; V130-Y165 WeakPolarHBondContact O-CB 3.48Å; Y165-V167 HydrophobicContact CD2-CG2 3.76Å; Y165-V167 HydrophobicContact CE2-CG2 3.78Å; Y165-D186 VanDerWaalsContact CE2-OD1 3.28Å; Y165-D186 WeakPolarHBondContact CE2-OD1 3.26Å; Y165-D186 PolarHBondContact OH-O 3.04Å; Y165-D186 VanDerWaalsContact OH-O 3.08Å; Y165-D186 PolarHBondContact OH-OD1 2.76Å; Y165-L189 HydrophobicContact CD1-CB 4.19Å; Y165-L189 HydrophobicContact CD1-CD1 4.39Å; Y165-L189 HydrophobicContact CD2-CB 4.29Å; Y165-L189 HydrophobicContact CD2-CD1 3.46Å; Y165-L189 VanDerWaalsContact CD2-CD1 3.46Å; Y165-L189 HydrophobicContact CE1-CB 3.88Å; Y165-L189 HydrophobicContact CE2-CB 4.03Å; Y165-L189 HydrophobicContact CE2-CD1 3.86Å; Y165-L189 HydrophobicContact CG-CB 4.38Å; Y165-L189 HydrophobicContact CG-CD1 3.78Å; Y165-A194 HydrophobicContact CD1-CB 3.54Å; Y165-A194 HydrophobicContact CE1-CB 3.77Å; Y165-N195 WeakPolarHBondContact CD1-O 3.35Å; Y165-N195 PolarHBondContact N-O 3.36Å; Y165-R196 HydrophobicContact CE1-CB 3.82Å; Y165-R196 HydrophobicContact CE2-CB 4.49Å; Y165-R196 HydrophobicContact CE2-CG 4.39Å; Y165-R196 WeakPolarHBondContact O-CA 3.42Å; Y165-R196 PolarHBondContact OH-NE 3.27Å; Y165-R196 PolarHBondContact OH-NH2 3.28Å; Y165-I197 VanDerWaalsContact O-CG1 3.23Å; Y165-I197 WeakPolarHBondContact O-CG1 3.23Å; Y165-I197 PolarHBondContact O-N 3.02Å
166	A	98.6	Very high	93.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	154.1	166.6	0	0	0	0	0	110.3	V130 V131 F132 I197 W216 F220	V130-A166 PolarHBondContact O-N 3.35Å; V130-A166 VanDerWaalsContact O-N 3.12Å; V131-A166 CarbonylContact C-O 3.58Å; V131-A166 WeakPolarHBondContact CA-O 3.29Å; V131-A166 HydrophobicContact CG1-CB 4.49Å; V131-A166 HydrophobicContact CG2-CB 4.28Å; F132-A166 PolarHBondContact N-O 3.45Å; A166-I197 HydrophobicContact CB-CD1 4.45Å; A166-I197 HydrophobicContact CB-CG1 4.07Å; A166-W216 HydrophobicContact CB-CZ2 4.11Å; A166-F220 HydrophobicContact CB-CD2 3.78Å; A166-F220 HydrophobicContact CB-CE2 3.59Å
167	V	98.8	Very high	93.8	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	132.6	-179.5	-174.1	0	0	0	0	109.7	F132 L134 Y165 A182 V185 D186 L200 G201	F132-V167 HydrophobicContact CB-CG1 4.3Å; F132-V167 HydrophobicContact CB-CG2 4.28Å; F132-V167 HydrophobicContact CD2-CG2 4.27Å; F132-V167 CarbonylContact O-C 3.52Å; F132-V167 WeakPolarHBondContact O-CA 3.46Å; L134-V167 HydrophobicContact CD1-CG1 4.45Å; Y165-V167 HydrophobicContact CD2-CG2 3.76Å; Y165-V167 HydrophobicContact CE2-CG2 3.78Å; V167-A182 HydrophobicContact CG1-CB 3.81Å; V167-V185 HydrophobicContact CG2-CG1 4.27Å; V167-D186 HydrophobicContact CB-CB 4.44Å; V167-D186 HydrophobicContact CG2-CB 4.14Å; V167-L200 HydrophobicContact CB-CD1 3.75Å; V167-L200 HydrophobicContact CG1-CD1 3.75Å; V167-G201 PolarHBondContact O-N 3.35Å
168	F	98.7	Very high	94.2	Very high	1 Å²	1	48.2 Å²	48.2	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	118.7	166.6	-174.7	-97.3	0	0	0	109	F91 F132 C133 L134 L170 D212 F213 W216	F91-F168 HydrophobicContact CD2-CD1 4.1Å; F91-F168 AromaticContact CD2-CE1 3.75Å; F91-F168 HydrophobicContact CD2-CE1 3.75Å; F91-F168 AromaticContact CE2-CE1 3.76Å; F91-F168 HydrophobicContact CE2-CE1 3.76Å; F132-F168 PolarHBondContact O-N 2.9Å; C133-F168 CarbonylContact C-O 3.6Å; C133-F168 WeakPolarHBondContact CA-O 3.27Å; L134-F168 PolarHBondContact N-O 2.89Å; F168-L170 HydrophobicContact CD1-CD1 3.89Å; F168-L170 HydrophobicContact CD1-CG 4.32Å; F168-L170 HydrophobicContact CE1-CD1 4.18Å; F168-L170 HydrophobicContact CE1-CG 4.08Å; F168-D212 HydrophobicContact CZ-CB 4.42Å; F168-F213 AromaticContact CD1-CD2 3.9Å; F168-F213 HydrophobicContact CD1-CD2 3.9Å; F168-F213 HydrophobicContact CD2-CD2 4.31Å; F168-F213 HydrophobicContact CE1-CB 3.92Å; F168-F213 AromaticContact CE1-CD2 3.85Å; F168-F213 HydrophobicContact CE1-CD2 3.85Å; F168-F213 HydrophobicContact CE1-CG 4.33Å; F168-F213 HydrophobicContact CE2-CB 4.18Å; F168-F213 HydrophobicContact CE2-CD2 4.28Å; F168-F213 HydrophobicContact CG-CD2 4.14Å; F168-F213 VanDerWaalsContact CZ-CA 3.42Å; F168-F213 HydrophobicContact CZ-CB 3.58Å; F168-F213 HydrophobicContact CZ-CD2 4.06Å; F168-F213 HydrophobicContact CZ-CG 4.33Å; F168-W216 HydrophobicContact CB-CD2 4.06Å; F168-W216 HydrophobicContact CB-CE3 3.95Å; F168-W216 HydrophobicContact CB-CH2 3.86Å; F168-W216 HydrophobicContact CB-CZ2 3.93Å; F168-W216 HydrophobicContact CB-CZ3 3.87Å; F168-W216 HydrophobicContact CD2-CB 3.81Å; F168-W216 AromaticContact CD2-CD2 3.44Å; F168-W216 HydrophobicContact CD2-CD2 3.44Å; F168-W216 VanDerWaalsContact CD2-CD2 3.44Å; F168-W216 AromaticContact CD2-CE3 3.63Å; F168-W216 HydrophobicContact CD2-CE3 3.63Å; F168-W216 AromaticContact CD2-CG 3.52Å; F168-W216 HydrophobicContact CD2-CG 3.52Å; F168-W216 HydrophobicContact CD2-CZ3 4.4Å; F168-W216 HydrophobicContact CE2-CB 3.78Å; F168-W216 HydrophobicContact CE2-CD2 4.3Å; F168-W216 HydrophobicContact CE2-CE3 4.47Å; F168-W216 HydrophobicContact CE2-CG 4.02Å; F168-W216 HydrophobicContact CG-CD2 4.13Å; F168-W216 AromaticContact CG-CE3 4Å; F168-W216 HydrophobicContact CG-CE3 4Å; F168-W216 HydrophobicContact CG-CZ3 4.34Å
169	G	98.4	Very high	94.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	144.3	175.7	0	0	0	0	0	112.5	L134 N179 G201 G203	L134-G169 WeakPolarHBondContact O-CA 3.39Å; G169-N179 WeakPolarHBondContact CA-OD1 3.21Å; G169-N179 PolarHBondContact O-OD1 3.19Å; G169-G201 PolarHBondContact N-O 3.44Å; G169-G203 WeakPolarHBondContact O-CA 3.48Å; G169-G203 PolarHBondContact O-N 3.46Å
170	L	97.9	Very high	95.2	Very high	10 Å²	10	42.8 Å²	42.8	5%	0.052	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	113.2	166.4	-60	81.6	0	0	0	108.3	T87 A88 F91 C133 L134 A135 T136 F168 N179 I209	T87-L170 HydrophobicContact CG2-CD2 3.58Å; A88-L170 HydrophobicContact CB-CD1 3.62Å; A88-L170 HydrophobicContact CB-CD2 3.83Å; A88-L170 HydrophobicContact CB-CG 4.37Å; F91-L170 HydrophobicContact CD2-CD1 4.37Å; F91-L170 HydrophobicContact CD2-CD2 3.85Å; F91-L170 HydrophobicContact CD2-CG 4.23Å; F91-L170 HydrophobicContact CE2-CD2 3.8Å; F91-L170 HydrophobicContact CE2-CG 4.22Å; C133-L170 HydrophobicContact CB-CD1 4.46Å; L134-L170 PolarHBondContact O-N 2.86Å; A135-L170 CarbonylContact C-O 3.55Å; A135-L170 VanDerWaalsContact CA-O 3.3Å; A135-L170 WeakPolarHBondContact CA-O 3.47Å; A135-L170 HydrophobicContact CB-CB 4.07Å; T136-L170 PolarHBondContact N-O 2.72Å; F168-L170 HydrophobicContact CD1-CD1 3.89Å; F168-L170 HydrophobicContact CD1-CG 4.32Å; F168-L170 HydrophobicContact CE1-CD1 4.18Å; F168-L170 HydrophobicContact CE1-CG 4.08Å; L170-N179 VanDerWaalsContact C-OD1 3.24Å; L170-N179 PolarHBondContact N-OD1 3.03Å; L170-I209 HydrophobicContact CB-CD1 3.61Å; L170-I209 HydrophobicContact CD2-CD1 3.82Å; L170-I209 HydrophobicContact CG-CD1 3.71Å
171	G	96.2	Very high	95.5	Very high	8 Å²	8	42.9 Å²	42.9	8%	0.082	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	-176.7	179.4	0	0	0	0	0	111.3	N179 G203 D204 D205	G171-N179 PolarHBondContact N-OD1 3.24Å; G171-G203 PolarHBondContact N-O 3.16Å; G171-G203 VanDerWaalsContact O-O 3.13Å; G171-D204 CarbonylContact O-C 3.58Å; G171-D204 WeakPolarHBondContact O-CA 3.3Å; G171-D205 WeakPolarHBondContact O-CB 3.36Å; G171-D205 PolarHBondContact O-N 2.62Å
172	N	93.9	Very high	95.9	Very high	30 Å²	30	40.3 Å²	40.3	16%	0.16	20%	0.2	C	C	.	.			trans	-137.1	123.9	176.6	177.8	-44.8	0	0	0	108.5	T174 Y175 F178 D205 D206	N172-T174 PolarHBondContact O-N 2.97Å; N172-T174 WeakPolarHBondContact OD1-CB 3.4Å; N172-T174 WeakPolarHBondContact OD1-CG2 3.41Å; N172-T174 PolarHBondContact OD1-N 3.18Å; N172-T174 PolarHBondContact OD1-OG1 2.92Å; N172-Y175 HydrophobicContact CB-CD2 3.74Å; N172-Y175 HydrophobicContact CB-CE2 4.12Å; N172-Y175 PolarHBondContact O-N 2.85Å; N172-Y175 VanDerWaalsContact O-N 3.17Å; N172-F178 VanDerWaalsContact C-CD2 3.41Å; N172-D205 HydrophobicContact CB-CB 4.26Å; N172-D206 PolarHBondContact ND2-N 3.16Å
173	K	93.8	Very high	96.2	Very high	126 Å²	126	39.6 Å²	39.6	55%	0.548	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-14.1	-174.2	-75.1	-170.9	-164.1	111	0	114.7	Y175 F178 D204	K173-Y175 PolarHBondContact O-N 2.83Å; K173-F178 HydrophobicContact CB-CD2 4.34Å; K173-F178 HydrophobicContact CB-CE2 4.44Å; K173-F178 HydrophobicContact CD-CE1 4.48Å; K173-F178 HydrophobicContact CD-CZ 4.38Å; K173-F178 HydrophobicContact CG-CD1 4.02Å; K173-F178 HydrophobicContact CG-CD2 3.72Å; K173-F178 HydrophobicContact CG-CE1 3.86Å; K173-F178 HydrophobicContact CG-CE2 3.52Å; K173-F178 HydrophobicContact CG-CG 3.95Å; K173-F178 HydrophobicContact CG-CZ 3.6Å; K173-D204 VanDerWaalsContact CD-OD2 3.27Å; K173-D204 WeakPolarHBondContact CD-OD2 3.42Å; K173-D204 WeakPolarHBondContact CE-OD2 3.4Å; K173-D204 VanDerWaalsContact CG-OD2 3.3Å; K173-D204 WeakPolarHBondContact CG-OD2 3.17Å; K173-D204 PolarHBondContact N-OD1 3.03Å; K173-D204 IonicContact NZ-OD2 2.63Å; K173-D204 PolarHBondContact NZ-OD2 3.15Å
174	T	90.4	Very high	96.4	Very high	93 Å²	93	42.3 Å²	42.3	57%	0.571	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-15.7	175	67.9	0	0	0	0	112.7	N172 D206	N172-T174 PolarHBondContact O-N 2.97Å; N172-T174 WeakPolarHBondContact OD1-CB 3.4Å; N172-T174 WeakPolarHBondContact OD1-CG2 3.41Å; N172-T174 PolarHBondContact OD1-N 3.18Å; N172-T174 PolarHBondContact OD1-OG1 2.92Å; T174-D206 HydrophobicContact CG2-CB 4.15Å; T174-D206 VanDerWaalsContact CG2-CG 3.44Å; T174-D206 VanDerWaalsContact CG2-OD1 3.31Å; T174-D206 WeakPolarHBondContact CG2-OD1 3.38Å
175	Y	90	Very high	96.5	Very high	137 Å²	137	41.7 Å²	41.7	54%	0.537	20%	0.196	S	C	.	.	S	Bend	trans	-94.1	146.9	174.5	-66.8	-98.2	0	0	0	111.1	N172 K173 H177	N172-Y175 HydrophobicContact CB-CD2 3.74Å; N172-Y175 HydrophobicContact CB-CE2 4.12Å; N172-Y175 PolarHBondContact O-N 2.85Å; N172-Y175 VanDerWaalsContact O-N 3.17Å; K173-Y175 PolarHBondContact O-N 2.83Å; Y175-H177 VanDerWaalsContact C-N 3.3Å; Y175-H177 PolarHBondContact O-N 2.82Å
176	E	93.4	Very high	96.5	Very high	167 Å²	167	42.4 Å²	42.4	78%	0.78	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-43.1	179.6	-178.7	170.5	168.8	0	0	112	F178	E176-F178 VanDerWaalsContact C-N 3.3Å; E176-F178 PolarHBondContact O-N 2.93Å; E176-F178 VanDerWaalsContact O-N 3.13Å
177	H	94.4	Very high	96.5	Very high	69 Å²	69	50.1 Å²	50.1	32%	0.319	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	50.1	-174.5	-63.5	-60.5	0	0	0	113.5	E139 Y175 N179 A180	E139-H177 PolarHBondContact O-CD2 3.42Å; E139-H177 IonicContact OE2-CD2 3.97Å; E139-H177 PolarHBondContact OE2-CD2 3.44Å; E139-H177 IonicContact OE2-NE2 3.93Å; Y175-H177 VanDerWaalsContact C-N 3.3Å; Y175-H177 PolarHBondContact O-N 2.82Å; H177-N179 PolarHBondContact O-N 2.87Å; H177-N179 VanDerWaalsContact O-N 3.08Å; H177-A180 HydrophobicContact CB-CB 3.96Å; H177-A180 WeakPolarHBondContact O-CB 3.39Å; H177-A180 PolarHBondContact O-N 2.89Å
178	F	96.5	Very high	96.4	Very high	35 Å²	35	51.7 Å²	51.7	15%	0.154	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	114.2	-179.1	178.8	-119	0	0	0	113.2	N172 K173 E176 A180 R183 L202 G203 D204	N172-F178 VanDerWaalsContact C-CD2 3.41Å; K173-F178 HydrophobicContact CB-CD2 4.34Å; K173-F178 HydrophobicContact CB-CE2 4.44Å; K173-F178 HydrophobicContact CD-CE1 4.48Å; K173-F178 HydrophobicContact CD-CZ 4.38Å; K173-F178 HydrophobicContact CG-CD1 4.02Å; K173-F178 HydrophobicContact CG-CD2 3.72Å; K173-F178 HydrophobicContact CG-CE1 3.86Å; K173-F178 HydrophobicContact CG-CE2 3.52Å; K173-F178 HydrophobicContact CG-CG 3.95Å; K173-F178 HydrophobicContact CG-CZ 3.6Å; E176-F178 VanDerWaalsContact C-N 3.3Å; E176-F178 PolarHBondContact O-N 2.93Å; E176-F178 VanDerWaalsContact O-N 3.13Å; F178-A180 PolarHBondContact O-N 2.84Å; F178-R183 PolarHBondContact O-NE 3.08Å; F178-L202 HydrophobicContact CE1-CB 4.16Å; F178-L202 HydrophobicContact CZ-CB 4.33Å; F178-G203 WeakPolarHBondContact CE2-O 3.44Å; F178-D204 HydrophobicContact CE2-CB 4.15Å; F178-D204 HydrophobicContact CZ-CB 4.2Å
179	N	98	Very high	96.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	27.9	179.5	-81.5	-67.8	0	0	0	114.1	T136 G169 L170 G171 H177 M181 A182 R183 L202 G203	T136-N179 WeakPolarHBondContact OG1-CA 3.34Å; G169-N179 WeakPolarHBondContact CA-OD1 3.21Å; G169-N179 PolarHBondContact O-OD1 3.19Å; L170-N179 VanDerWaalsContact C-OD1 3.24Å; L170-N179 PolarHBondContact N-OD1 3.03Å; G171-N179 PolarHBondContact N-OD1 3.24Å; H177-N179 PolarHBondContact O-N 2.87Å; H177-N179 VanDerWaalsContact O-N 3.08Å; N179-M181 VanDerWaalsContact C-N 3.33Å; N179-M181 PolarHBondContact O-N 3.28Å; N179-A182 PolarHBondContact O-N 3.26Å; N179-R183 VanDerWaalsContact O-CG 3.31Å; N179-R183 WeakPolarHBondContact O-CG 3.33Å; N179-R183 PolarHBondContact O-N 3.21Å; N179-L202 HydrophobicContact CB-CD2 3.57Å; N179-G203 PolarHBondContact ND2-O 3.16Å
180	A	97.9	Very high	96.3	Very high	26 Å²	26	53.7 Å²	53.7	22%	0.215	26%	0.257	C	S	.	.	H	α-helix	trans	-55.8	-42.7	-174.6	0	0	0	0	0	113.4	T136 H177 F178 R183 F184	T136-A180 HydrophobicContact CG2-CB 3.96Å; T136-A180 PolarHBondContact OG1-N 2.83Å; H177-A180 HydrophobicContact CB-CB 3.96Å; H177-A180 WeakPolarHBondContact O-CB 3.39Å; H177-A180 PolarHBondContact O-N 2.89Å; F178-A180 PolarHBondContact O-N 2.84Å; A180-R183 PolarHBondContact O-N 3.23Å; A180-F184 VanDerWaalsContact O-CB 3.32Å; A180-F184 WeakPolarHBondContact O-CB 3.29Å; A180-F184 PolarHBondContact O-N 3.01Å
181	M	98.1	Very high	96.3	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-64.8	-44.3	-179.8	-177.8	53.3	-173.6	0	0	112	L134 T136 P142 H150 N179 F184 V185	L134-M181 HydrophobicContact CB-CG 4.23Å; L134-M181 HydrophobicContact CD1-CE 4.41Å; L134-M181 HydrophobicContact CD1-CG 4.33Å; T136-M181 PolarHBondContact OG1-N 3.29Å; P142-M181 HydrophobicContact CB-CE 4Å; P142-M181 HydrophobicContact CB-CG 4.23Å; P142-M181 HydrophobicContact CB-SD 3.86Å; H150-M181 HydrophobicContact CB-CE 3.67Å; H150-M181 HydrophobicContact CB-SD 4.18Å; N179-M181 VanDerWaalsContact C-N 3.33Å; N179-M181 PolarHBondContact O-N 3.28Å; M181-F184 WeakPolarHBondContact O-CB 3.11Å; M181-F184 PolarHBondContact O-N 3.17Å; M181-F184 HydrophobicContact SD-CD1 4.12Å; M181-V185 HydrophobicContact CE-CG2 3.58Å; M181-V185 WeakPolarHBondContact O-CG2 3.05Å; M181-V185 PolarHBondContact O-N 3.09Å; M181-V185 HydrophobicContact SD-CG2 4.2Å
182	A	98.5	Very high	96.3	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.8	-42.1	177.4	0	0	0	0	0	112.2	V167 N179 F184 V185 D186 L200	V167-A182 HydrophobicContact CG1-CB 3.81Å; N179-A182 PolarHBondContact O-N 3.26Å; A182-F184 VanDerWaalsContact C-N 3.34Å; A182-V185 PolarHBondContact O-N 3.35Å; A182-D186 WeakPolarHBondContact O-CB 3.49Å; A182-D186 PolarHBondContact O-N 3.13Å; A182-L200 HydrophobicContact CB-CD1 4.22Å
183	R	98.5	Very high	96.4	Very high	112 Å²	112	62.1 Å²	62.1	42%	0.423	30%	0.3	S	S	.	.	H	α-helix	trans	-62.8	-40.8	174.4	-69.2	173.8	-178.2	-75.8	4.3	111.9	F178 N179 A180 K187 L200 L202	F178-R183 PolarHBondContact O-NE 3.08Å; N179-R183 VanDerWaalsContact O-CG 3.31Å; N179-R183 WeakPolarHBondContact O-CG 3.33Å; N179-R183 PolarHBondContact O-N 3.21Å; A180-R183 PolarHBondContact O-N 3.23Å; R183-K187 WeakPolarHBondContact O-CB 3.5Å; R183-K187 PolarHBondContact O-N 2.96Å; R183-L200 HydrophobicContact CG-CD2 4.05Å; R183-L202 HydrophobicContact CG-CD2 4.28Å; R183-L202 VanDerWaalsContact NH2-CD1 3.3Å
184	F	98.2	Very high	96.5	Very high	58 Å²	58	56.7 Å²	56.7	25%	0.254	28%	0.279	S	S	.	.	H	α-helix	trans	-61	-52.5	176.1	166.3	-95.5	0	0	0	110.9	H150 L153 Q154 A180 M181 A182 K187 K188	H150-F184 AromaticContact CD2-CD1 3.52Å; H150-F184 AromaticContact CD2-CE1 3.33Å; H150-F184 WeakPolarHBondContact CD2-CE1 3.43Å; H150-F184 AromaticContact CD2-CZ 3.88Å; H150-F184 AromaticContact NE2-CE1 3.99Å; L153-F184 HydrophobicContact CB-CE1 3.8Å; L153-F184 HydrophobicContact CB-CZ 4.05Å; L153-F184 HydrophobicContact CD1-CE1 4.48Å; Q154-F184 HydrophobicContact CB-CZ 4.43Å; Q154-F184 HydrophobicContact CG-CE2 4.07Å; Q154-F184 HydrophobicContact CG-CZ 3.64Å; A180-F184 VanDerWaalsContact O-CB 3.32Å; A180-F184 WeakPolarHBondContact O-CB 3.29Å; A180-F184 PolarHBondContact O-N 3.01Å; M181-F184 WeakPolarHBondContact O-CB 3.11Å; M181-F184 PolarHBondContact O-N 3.17Å; M181-F184 HydrophobicContact SD-CD1 4.12Å; A182-F184 VanDerWaalsContact C-N 3.34Å; F184-K187 PolarHBondContact O-N 2.97Å; F184-K188 HydrophobicContact CZ-CG 4.48Å; F184-K188 VanDerWaalsContact O-CB 3.24Å; F184-K188 WeakPolarHBondContact O-CB 3.49Å; F184-K188 PolarHBondContact O-N 3.27Å
185	V	98.1	Very high	96.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.4	-48.1	-179.3	171.6	0	0	0	0	111	F132 L134 L153 V167 M181 A182 K187 K188 L189	F132-V185 HydrophobicContact CD2-CG1 4.34Å; F132-V185 HydrophobicContact CG-CG1 4.27Å; L134-V185 HydrophobicContact CD1-CB 3.79Å; L134-V185 HydrophobicContact CD1-CG1 4.07Å; L134-V185 HydrophobicContact CD1-CG2 3.48Å; L134-V185 VanDerWaalsContact CD1-CG2 3.48Å; L153-V185 HydrophobicContact CD1-CB 4.27Å; L153-V185 HydrophobicContact CD1-CG1 3.99Å; L153-V185 HydrophobicContact CD1-CG2 3.76Å; V167-V185 HydrophobicContact CG2-CG1 4.27Å; M181-V185 HydrophobicContact CE-CG2 3.58Å; M181-V185 WeakPolarHBondContact O-CG2 3.05Å; M181-V185 PolarHBondContact O-N 3.09Å; M181-V185 HydrophobicContact SD-CG2 4.2Å; A182-V185 PolarHBondContact O-N 3.35Å; V185-K187 PolarHBondContact O-N 2.88Å; V185-K188 PolarHBondContact O-N 2.84Å; V185-L189 HydrophobicContact CG1-CD1 3.62Å; V185-L189 HydrophobicContact CG1-CG 4.14Å; V185-L189 WeakPolarHBondContact O-CB 3.39Å; V185-L189 VanDerWaalsContact O-CG 3.31Å; V185-L189 WeakPolarHBondContact O-CG 3.14Å; V185-L189 PolarHBondContact O-N 2.82Å
186	D	98.6	Very high	97.2	Very high	15 Å²	15	53.2 Å²	53.2	8%	0.08	26%	0.259	C	S	.	.	H	α-helix	trans	-58.5	-48.7	178.4	177.4	66.7	0	0	0	112.1	Y165 V167 A182 K188 A190 R196 L200	Y165-D186 VanDerWaalsContact CE2-OD1 3.28Å; Y165-D186 WeakPolarHBondContact CE2-OD1 3.26Å; Y165-D186 PolarHBondContact OH-O 3.04Å; Y165-D186 VanDerWaalsContact OH-O 3.08Å; Y165-D186 PolarHBondContact OH-OD1 2.76Å; V167-D186 HydrophobicContact CB-CB 4.44Å; V167-D186 HydrophobicContact CG2-CB 4.14Å; A182-D186 WeakPolarHBondContact O-CB 3.49Å; A182-D186 PolarHBondContact O-N 3.13Å; D186-K188 VanDerWaalsContact C-N 3.32Å; D186-K188 PolarHBondContact O-N 3.41Å; D186-A190 WeakPolarHBondContact O-CB 2.97Å; D186-A190 PolarHBondContact O-N 2.88Å; D186-A190 VanDerWaalsContact O-N 3.08Å; D186-R196 VanDerWaalsContact CG-NH2 3.32Å; D186-R196 IonicContact OD1-CZ 2.68Å; D186-R196 IonicContact OD1-NE 2.75Å; D186-R196 PolarHBondContact OD1-NE 2.94Å; D186-R196 IonicContact OD1-NH2 3.54Å; D186-R196 PolarHBondContact OD1-NH2 3.42Å; D186-R196 VanDerWaalsContact OD1-NH2 3.17Å; D186-R196 IonicContact OD2-CZ 3.23Å; D186-R196 IonicContact OD2-NE 3.39Å; D186-R196 IonicContact OD2-NH2 2.89Å; D186-R196 PolarHBondContact OD2-NH2 3.39Å; D186-L200 HydrophobicContact CB-CD1 4.18Å; D186-L200 HydrophobicContact CB-CD2 4.19Å
187	K	98	Very high	97.4	Very high	163 Å²	163	46 Å²	46	71%	0.709	23%	0.226	S	C	*	.	H	α-helix	trans	-62.9	-40	178.4	-176.5	178.7	-178.7	179	0	111.9	R183 F184 V185 K191	R183-K187 WeakPolarHBondContact O-CB 3.5Å; R183-K187 PolarHBondContact O-N 2.96Å; F184-K187 PolarHBondContact O-N 2.97Å; V185-K187 PolarHBondContact O-N 2.88Å; K187-K191 WeakPolarHBondContact O-CB 3.39Å; K187-K191 PolarHBondContact O-N 3.46Å
188	K	97.5	Very high	97.5	Very high	34 Å²	34	43 Å²	43	15%	0.148	21%	0.212	C	C	.	.	H	α-helix	trans	-74	-41.6	-176.5	-170.7	52.4	168.8	159.9	0	111.6	L153 A156 F184 V185 D186 K191 L192	L153-K188 HydrophobicContact CB-CG 4.13Å; L153-K188 HydrophobicContact CD2-CG 4.38Å; L153-K188 WeakPolarHBondContact O-CE 3.29Å; L153-K188 WeakPolarHBondContact O-CG 3.34Å; A156-K188 PolarHBondContact O-NZ 2.93Å; F184-K188 HydrophobicContact CZ-CG 4.48Å; F184-K188 VanDerWaalsContact O-CB 3.24Å; F184-K188 WeakPolarHBondContact O-CB 3.49Å; F184-K188 PolarHBondContact O-N 3.27Å; V185-K188 PolarHBondContact O-N 2.84Å; D186-K188 VanDerWaalsContact C-N 3.32Å; D186-K188 PolarHBondContact O-N 3.41Å; K188-K191 PolarHBondContact O-N 3.41Å; K188-L192 HydrophobicContact CG-CD1 4.37Å; K188-L192 VanDerWaalsContact O-CG 3.3Å; K188-L192 WeakPolarHBondContact O-CG 3.5Å; K188-L192 PolarHBondContact O-N 3.41Å
189	L	97.5	Very high	97.6	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.9	-45.9	173.7	-71.5	174.6	0	0	0	111.6	L119 F132 L153 L160 Y165 V185 K191 L192 G193 A194	L119-L189 HydrophobicContact CD2-CD2 4.22Å; F132-L189 HydrophobicContact CD2-CD1 4.07Å; F132-L189 HydrophobicContact CE2-CD1 3.61Å; F132-L189 HydrophobicContact CZ-CD1 4.28Å; L153-L189 HydrophobicContact CD2-CD2 4.1Å; L160-L189 HydrophobicContact CD1-CD2 3.6Å; Y165-L189 HydrophobicContact CD1-CB 4.19Å; Y165-L189 HydrophobicContact CD1-CD1 4.39Å; Y165-L189 HydrophobicContact CD2-CB 4.29Å; Y165-L189 HydrophobicContact CD2-CD1 3.46Å; Y165-L189 VanDerWaalsContact CD2-CD1 3.46Å; Y165-L189 HydrophobicContact CE1-CB 3.88Å; Y165-L189 HydrophobicContact CE2-CB 4.03Å; Y165-L189 HydrophobicContact CE2-CD1 3.86Å; Y165-L189 HydrophobicContact CG-CB 4.38Å; Y165-L189 HydrophobicContact CG-CD1 3.78Å; V185-L189 HydrophobicContact CG1-CD1 3.62Å; V185-L189 HydrophobicContact CG1-CG 4.14Å; V185-L189 WeakPolarHBondContact O-CB 3.39Å; V185-L189 VanDerWaalsContact O-CG 3.31Å; V185-L189 WeakPolarHBondContact O-CG 3.14Å; V185-L189 PolarHBondContact O-N 2.82Å; L189-K191 VanDerWaalsContact C-N 3.31Å; L189-K191 PolarHBondContact O-N 2.91Å; L189-L192 CarbonylContact O-C 3.6Å; L189-L192 PolarHBondContact O-N 3.4Å; L189-G193 PolarHBondContact O-N 2.9Å; L189-A194 HydrophobicContact CB-CB 4.11Å; L189-A194 WeakPolarHBondContact O-CB 3.24Å; L189-A194 PolarHBondContact O-N 2.87Å; L189-A194 VanDerWaalsContact O-N 3.13Å
190	A	97.1	Very high	97.6	Very high	43 Å²	43	50.1 Å²	50.1	36%	0.355	25%	0.247	S	C	.	.	H	α-helix	trans	-59.3	-41.4	174.6	0	0	0	0	0	112.3	D186 L192 G193	D186-A190 WeakPolarHBondContact O-CB 2.97Å; D186-A190 PolarHBondContact O-N 2.88Å; D186-A190 VanDerWaalsContact O-N 3.08Å; A190-L192 PolarHBondContact O-N 2.85Å; A190-G193 PolarHBondContact O-N 3.33Å; A190-G193 VanDerWaalsContact O-N 3.15Å
191	K	97	Very high	97.6	Very high	171 Å²	171	49.1 Å²	49.1	74%	0.743	24%	0.239	S	C	*	.	H	α-helix	trans	-64.2	-28.6	176	-178	175.4	177.2	178.7	0	112.9	K187 K188 L189 G193	K187-K191 WeakPolarHBondContact O-CB 3.39Å; K187-K191 PolarHBondContact O-N 3.46Å; K188-K191 PolarHBondContact O-N 3.41Å; L189-K191 VanDerWaalsContact C-N 3.31Å; L189-K191 PolarHBondContact O-N 2.91Å; K191-G193 VanDerWaalsContact C-N 3.29Å
192	L	96.4	Very high	97.6	Very high	19 Å²	19	51.7 Å²	51.7	10%	0.099	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	7.1	177.3	-63.3	173.2	0	0	0	113	L153 A156 A158 L160 K188 L189 A190	L153-L192 HydrophobicContact CD2-CD1 4.26Å; A156-L192 HydrophobicContact CB-CD1 3.9Å; A158-L192 WeakPolarHBondContact O-CD2 3.45Å; L160-L192 HydrophobicContact CB-CB 4.22Å; L160-L192 HydrophobicContact CD1-CB 4.01Å; L160-L192 HydrophobicContact CD1-CD1 3.78Å; L160-L192 HydrophobicContact CG-CB 4.06Å; L160-L192 HydrophobicContact CG-CD1 4.38Å; L160-L192 PolarHBondContact N-O 3.32Å; K188-L192 HydrophobicContact CG-CD1 4.37Å; K188-L192 VanDerWaalsContact O-CG 3.3Å; K188-L192 WeakPolarHBondContact O-CG 3.5Å; K188-L192 PolarHBondContact O-N 3.41Å; L189-L192 CarbonylContact O-C 3.6Å; L189-L192 PolarHBondContact O-N 3.4Å; A190-L192 PolarHBondContact O-N 2.85Å
193	G	96.1	Very high	97.5	Very high	35 Å²	35	51.7 Å²	51.7	36%	0.361	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.4	4.4	175.3	0	0	0	0	0	115.4	L189 A190 K191	L189-G193 PolarHBondContact O-N 2.9Å; A190-G193 PolarHBondContact O-N 3.33Å; A190-G193 VanDerWaalsContact O-N 3.15Å; K191-G193 VanDerWaalsContact C-N 3.29Å
194	A	96.5	Very high	97.4	Very high	11 Å²	11	46.6 Å²	46.6	9%	0.091	23%	0.234	C	C	.	.			trans	-66.7	148	176.8	0	0	0	0	0	111.7	L160 L163 Y165 L189	L160-A194 HydrophobicContact CB-CB 4.08Å; L160-A194 WeakPolarHBondContact O-CA 3.33Å; L163-A194 HydrophobicContact CB-CB 4.23Å; Y165-A194 HydrophobicContact CD1-CB 3.54Å; Y165-A194 HydrophobicContact CE1-CB 3.77Å; L189-A194 HydrophobicContact CB-CB 4.11Å; L189-A194 WeakPolarHBondContact O-CB 3.24Å; L189-A194 PolarHBondContact O-N 2.87Å; L189-A194 VanDerWaalsContact O-N 3.13Å
195	N	97	Very high	97	Very high	65 Å²	65	48.6 Å²	48.6	35%	0.348	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	110.5	-177.8	179.7	41	0	0	0	111.2	L163 N164 Y165 I197 H227	L163-N195 PolarHBondContact O-N 2.84Å; N164-N195 CarbonylContact C-O 3.56Å; N164-N195 WeakPolarHBondContact CA-O 3.38Å; N164-N195 PolarHBondContact OD1-ND2 3.2Å; Y165-N195 WeakPolarHBondContact CD1-O 3.35Å; Y165-N195 PolarHBondContact N-O 3.36Å; N195-I197 PolarHBondContact O-N 2.96Å; N195-H227 PolarHBondContact ND2-CE1 3Å
196	R	98	Very high	96.5	Very high	92 Å²	92	53.3 Å²	53.3	35%	0.347	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	113.6	174.7	-172.9	-170.8	-61.9	106.4	-1.2	109.7	Y165 D186 S198	Y165-R196 HydrophobicContact CE1-CB 3.82Å; Y165-R196 HydrophobicContact CE2-CB 4.49Å; Y165-R196 HydrophobicContact CE2-CG 4.39Å; Y165-R196 WeakPolarHBondContact O-CA 3.42Å; Y165-R196 PolarHBondContact OH-NE 3.27Å; Y165-R196 PolarHBondContact OH-NH2 3.28Å; D186-R196 VanDerWaalsContact CG-NH2 3.32Å; D186-R196 IonicContact OD1-CZ 2.68Å; D186-R196 IonicContact OD1-NE 2.75Å; D186-R196 PolarHBondContact OD1-NE 2.94Å; D186-R196 IonicContact OD1-NH2 3.54Å; D186-R196 PolarHBondContact OD1-NH2 3.42Å; D186-R196 VanDerWaalsContact OD1-NH2 3.17Å; D186-R196 IonicContact OD2-CZ 3.23Å; D186-R196 IonicContact OD2-NE 3.39Å; D186-R196 IonicContact OD2-NH2 2.89Å; D186-R196 PolarHBondContact OD2-NH2 3.39Å; R196-S198 VanDerWaalsContact CD-O 3.29Å; R196-S198 WeakPolarHBondContact CD-O 3.25Å; R196-S198 WeakPolarHBondContact CG-O 3.38Å
197	I	96.7	Very high	95.7	Very high	16 Å²	16	56.1 Å²	56.1	8%	0.082	30%	0.298	C	S	.	.			trans	-86.9	-22.3	-179	59.1	144.9	0	0	0	114.1	L129 N164 Y165 A166 N195 F220 S223 V224	L129-I197 HydrophobicContact CD1-CD1 3.33Å; L129-I197 HydrophobicContact CD1-CG1 3.74Å; L129-I197 HydrophobicContact CD2-CD1 3.69Å; L129-I197 HydrophobicContact CG-CD1 4.17Å; N164-I197 HydrophobicContact CB-CG2 3.68Å; Y165-I197 VanDerWaalsContact O-CG1 3.23Å; Y165-I197 WeakPolarHBondContact O-CG1 3.23Å; Y165-I197 PolarHBondContact O-N 3.02Å; A166-I197 HydrophobicContact CB-CD1 4.45Å; A166-I197 HydrophobicContact CB-CG1 4.07Å; N195-I197 PolarHBondContact O-N 2.96Å; I197-F220 HydrophobicContact CD1-CD2 4.48Å; I197-F220 HydrophobicContact CD1-CE2 3.84Å; I197-S223 WeakPolarHBondContact O-CB 3.41Å; I197-V224 HydrophobicContact CD1-CG2 3.45Å; I197-V224 VanDerWaalsContact CD1-CG2 3.45Å
198	S	97.1	Very high	95	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.042	27%	0.271	C	S	.	.	S	Bend	trans	-144.2	149.5	-178.8	-179.5	0	0	0	0	109.5	R196 F220	R196-S198 VanDerWaalsContact CD-O 3.29Å; R196-S198 WeakPolarHBondContact CD-O 3.25Å; R196-S198 WeakPolarHBondContact CG-O 3.38Å; S198-F220 WeakPolarHBondContact OG-CA 3.09Å
199	E	97.8	Very high	94.6	Very high	149 Å²	149	48.8 Å²	48.8	70%	0.696	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-55.1	146.6	176.4	-70.3	-59.8	140.9	0	0	112.1	G201 W216	E199-G201 PolarHBondContact O-N 3.38Å; E199-W216 PolarHBondContact O-NE1 2.98Å
200	L	98.6	Very high	94.1	Very high	35 Å²	35	49.4 Å²	49.4	18%	0.183	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-61.7	118.3	176.3	169.5	62.6	0	0	0	109.4	V167 A182 R183 D186 L202	V167-L200 HydrophobicContact CB-CD1 3.75Å; V167-L200 HydrophobicContact CG1-CD1 3.75Å; A182-L200 HydrophobicContact CB-CD1 4.22Å; R183-L200 HydrophobicContact CG-CD2 4.05Å; D186-L200 HydrophobicContact CB-CD1 4.18Å; D186-L200 HydrophobicContact CB-CD2 4.19Å; L200-L202 HydrophobicContact CD1-CD2 4.42Å; L200-L202 HydrophobicContact CD2-CD2 3.93Å; L200-L202 HydrophobicContact CG-CD2 3.93Å; L200-L202 HydrophobicContact CG-CG 4.3Å
201	G	98.4	Very high	93.5	Very high	5 Å²	5	50.7 Å²	50.7	5%	0.052	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	138.2	173.1	0	0	0	0	0	111.4	V167 G169 E199	V167-G201 PolarHBondContact O-N 3.35Å; G169-G201 PolarHBondContact N-O 3.44Å; E199-G201 PolarHBondContact O-N 3.38Å
202	L	98	Very high	93.4	Very high	56 Å²	56	44.9 Å²	44.9	29%	0.293	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	85.4	-178.3	-62	174	0	0	0	109.5	F178 N179 R183 L200	F178-L202 HydrophobicContact CE1-CB 4.16Å; F178-L202 HydrophobicContact CZ-CB 4.33Å; N179-L202 HydrophobicContact CB-CD2 3.57Å; R183-L202 HydrophobicContact CG-CD2 4.28Å; R183-L202 VanDerWaalsContact NH2-CD1 3.3Å; L200-L202 HydrophobicContact CD1-CD2 4.42Å; L200-L202 HydrophobicContact CD2-CD2 3.93Å; L200-L202 HydrophobicContact CG-CD2 3.93Å; L200-L202 HydrophobicContact CG-CG 4.3Å
203	G	97.2	Very high	93.3	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	142.4	177.8	0	0	0	0	0	112.7	G169 G171 F178 N179	G169-G203 WeakPolarHBondContact O-CA 3.48Å; G169-G203 PolarHBondContact O-N 3.46Å; G171-G203 PolarHBondContact N-O 3.16Å; G171-G203 VanDerWaalsContact O-O 3.13Å; F178-G203 WeakPolarHBondContact CE2-O 3.44Å; N179-G203 PolarHBondContact ND2-O 3.16Å
204	D	95	Very high	93	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.027	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	104.8	-178.2	-169.3	11.5	0	0	0	112.4	G171 K173 F178 D206 A207 N208 I209 D212	G171-D204 CarbonylContact O-C 3.58Å; G171-D204 WeakPolarHBondContact O-CA 3.3Å; K173-D204 VanDerWaalsContact CD-OD2 3.27Å; K173-D204 WeakPolarHBondContact CD-OD2 3.42Å; K173-D204 WeakPolarHBondContact CE-OD2 3.4Å; K173-D204 VanDerWaalsContact CG-OD2 3.3Å; K173-D204 WeakPolarHBondContact CG-OD2 3.17Å; K173-D204 PolarHBondContact N-OD1 3.03Å; K173-D204 IonicContact NZ-OD2 2.63Å; K173-D204 PolarHBondContact NZ-OD2 3.15Å; F178-D204 HydrophobicContact CE2-CB 4.15Å; F178-D204 HydrophobicContact CZ-CB 4.2Å; D204-D206 VanDerWaalsContact C-N 3.27Å; D204-D206 PolarHBondContact O-N 3.48Å; D204-D206 WeakPolarHBondContact OD1-CB 3.4Å; D204-D206 PolarHBondContact OD1-N 2.8Å; D204-A207 PolarHBondContact O-N 3.19Å; D204-N208 PolarHBondContact O-N 3.27Å; D204-I209 PolarHBondContact O-N 3.41Å; D204-I209 VanDerWaalsContact O-N 3.15Å; D204-D212 PolarHBondContact N-OD2 3.43Å
205	D	91	Very high	92.8	Very high	100 Å²	100	48.6 Å²	48.6	54%	0.535	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-19.1	178.4	-165.1	60.6	0	0	0	113.1	G171 N172 A207 I209	G171-D205 WeakPolarHBondContact O-CB 3.36Å; G171-D205 PolarHBondContact O-N 2.62Å; N172-D205 HydrophobicContact CB-CB 4.26Å; D205-A207 PolarHBondContact O-N 2.86Å; D205-I209 HydrophobicContact CB-CD1 4.32Å
206	D	86	Confident	92.8	Very high	99 Å²	99	46.5 Å²	46.5	53%	0.529	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-30.3	172	-169.7	57.1	0	0	0	112.1	N172 T174 D204	N172-D206 PolarHBondContact ND2-N 3.16Å; T174-D206 HydrophobicContact CG2-CB 4.15Å; T174-D206 VanDerWaalsContact CG2-CG 3.44Å; T174-D206 VanDerWaalsContact CG2-OD1 3.31Å; T174-D206 WeakPolarHBondContact CG2-OD1 3.38Å; D204-D206 VanDerWaalsContact C-N 3.27Å; D204-D206 PolarHBondContact O-N 3.48Å; D204-D206 WeakPolarHBondContact OD1-CB 3.4Å; D204-D206 PolarHBondContact OD1-N 2.8Å
207	A	82.2	Confident	92.7	Very high	74 Å²	74	42.7 Å²	42.7	61%	0.612	23%	0.228	S	C	*	.	S	Bend	trans	-103.8	-102	-179.2	0	0	0	0	0	110.8	D204 D205	D204-A207 PolarHBondContact O-N 3.19Å; D205-A207 PolarHBondContact O-N 2.86Å
208	N	83.1	Confident	92.5	Very high	27 Å²	27	44.4 Å²	44.4	14%	0.144	24%	0.238	C	C	.	.			trans	-143.3	80.3	-177.7	-172.7	6.8	0	0	0	110.5	D204 E210 E211 D212	D204-N208 PolarHBondContact O-N 3.27Å; N208-E210 PolarHBondContact O-N 3.04Å; N208-E210 VanDerWaalsContact O-N 3.15Å; N208-E211 HydrophobicContact CB-CB 4.12Å; N208-E211 WeakPolarHBondContact ND2-CB 3.12Å; N208-E211 PolarHBondContact ND2-OE2 2.96Å; N208-E211 VanDerWaalsContact ND2-OE2 3.12Å; N208-E211 WeakPolarHBondContact O-CB 3.45Å; N208-E211 PolarHBondContact O-N 2.68Å; N208-D212 PolarHBondContact O-N 2.94Å
209	I	90.6	Very high	92.4	Very high	17 Å²	17	50 Å²	50	9%	0.087	26%	0.263	C	S	.	.	H	α-helix	trans	-58.5	-29.3	-178.4	-163.9	168.7	0	0	0	113.9	F91 L170 D204 D205 E211 D212 F213	F91-I209 HydrophobicContact CE2-CD1 4.44Å; F91-I209 HydrophobicContact CE2-CG1 4.1Å; F91-I209 HydrophobicContact CZ-CG1 4.44Å; F91-I209 HydrophobicContact CZ-CG2 4.39Å; L170-I209 HydrophobicContact CB-CD1 3.61Å; L170-I209 HydrophobicContact CD2-CD1 3.82Å; L170-I209 HydrophobicContact CG-CD1 3.71Å; D204-I209 PolarHBondContact O-N 3.41Å; D204-I209 VanDerWaalsContact O-N 3.15Å; D205-I209 HydrophobicContact CB-CD1 4.32Å; I209-E211 VanDerWaalsContact C-N 3.3Å; I209-E211 PolarHBondContact O-N 2.91Å; I209-D212 PolarHBondContact O-N 3.28Å; I209-F213 WeakPolarHBondContact O-CB 3.49Å; I209-F213 PolarHBondContact O-N 3.31Å
210	E	86.5	Confident	92.4	Very high	12 Å²	12	42.9 Å²	42.9	6%	0.056	23%	0.23	C	C	.	.	H	α-helix	trans	-63.2	-38.6	175.6	-179.6	69.4	-159.8	0	0	111	F91 R94 N208 M214 H381	F91-E210 WeakPolarHBondContact CE1-OE2 3.43Å; R94-E210 IonicContact CZ-OE1 2.84Å; R94-E210 IonicContact CZ-OE2 3.85Å; R94-E210 VanDerWaalsContact NH1-CD 3.27Å; R94-E210 IonicContact NH1-OE1 3.84Å; R94-E210 PolarHBondContact NH1-OE1 3.24Å; R94-E210 IonicContact NH1-OE2 3.64Å; R94-E210 PolarHBondContact NH1-OE2 2.77Å; R94-E210 IonicContact NH2-OE1 3.57Å; R94-E210 PolarHBondContact NH2-OE1 2.88Å; R94-E210 IonicContact NH2-OE2 3.54Å; N208-E210 PolarHBondContact O-N 3.04Å; N208-E210 VanDerWaalsContact O-N 3.15Å; E210-M214 WeakPolarHBondContact O-CB 3.33Å; E210-M214 WeakPolarHBondContact O-CG 3.39Å; E210-M214 PolarHBondContact O-N 2.96Å; E210-H381 IonicContact OE1-CD2 2.99Å
211	E	85.1	Confident	92.2	Very high	70 Å²	70	41.4 Å²	41.4	33%	0.327	22%	0.222	S	C	.	.	H	α-helix	trans	-71.3	-46.8	177.2	175.3	173.1	-164.8	0	0	111.6	N208 I209 F213 M214 L215 R410	N208-E211 HydrophobicContact CB-CB 4.12Å; N208-E211 WeakPolarHBondContact ND2-CB 3.12Å; N208-E211 PolarHBondContact ND2-OE2 2.96Å; N208-E211 VanDerWaalsContact ND2-OE2 3.12Å; N208-E211 WeakPolarHBondContact O-CB 3.45Å; N208-E211 PolarHBondContact O-N 2.68Å; I209-E211 VanDerWaalsContact C-N 3.3Å; I209-E211 PolarHBondContact O-N 2.91Å; E211-F213 PolarHBondContact O-N 2.97Å; E211-M214 PolarHBondContact O-N 2.58Å; E211-M214 VanDerWaalsContact O-N 3.09Å; E211-L215 HydrophobicContact CG-CD1 4.2Å; E211-L215 WeakPolarHBondContact O-CG 3.22Å; E211-L215 PolarHBondContact O-N 2.8Å; E211-R410 WeakPolarHBondContact OE1-CD 3.13Å; E211-R410 WeakPolarHBondContact OE2-CD 3.39Å
212	D	93.2	Very high	92	Very high	49 Å²	49	45.2 Å²	45.2	26%	0.262	24%	0.244	S	C	.	.	H	α-helix	trans	-55.6	-42.7	175.6	-65.8	-32.1	0	0	0	111.1	F168 D204 N208 I209 W216	F168-D212 HydrophobicContact CZ-CB 4.42Å; D204-D212 PolarHBondContact N-OD2 3.43Å; N208-D212 PolarHBondContact O-N 2.94Å; I209-D212 PolarHBondContact O-N 3.28Å; D212-W216 VanDerWaalsContact O-CB 3.29Å; D212-W216 WeakPolarHBondContact O-CB 3.42Å; D212-W216 PolarHBondContact O-N 3.4Å
213	F	94.9	Very high	91.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.5	-44.9	176.1	175.4	-110.4	0	0	0	112.3	F91 L95 F168 I209 E211 W216 K217	F91-F213 HydrophobicContact CB-CD2 4.04Å; F91-F213 HydrophobicContact CB-CE1 4.14Å; F91-F213 HydrophobicContact CB-CE2 3.62Å; F91-F213 HydrophobicContact CB-CG 4.46Å; F91-F213 HydrophobicContact CB-CZ 3.65Å; F91-F213 AromaticContact CD1-CD1 3.68Å; F91-F213 HydrophobicContact CD1-CD1 3.68Å; F91-F213 HydrophobicContact CD1-CD2 4.42Å; F91-F213 AromaticContact CD1-CE1 3.81Å; F91-F213 HydrophobicContact CD1-CE1 3.81Å; F91-F213 AromaticContact CD1-CG 3.99Å; F91-F213 HydrophobicContact CD1-CG 3.99Å; F91-F213 HydrophobicContact CD1-CZ 4.23Å; F91-F213 HydrophobicContact CD2-CB 4.05Å; F91-F213 HydrophobicContact CD2-CD1 4.27Å; F91-F213 AromaticContact CD2-CD2 3.66Å; F91-F213 HydrophobicContact CD2-CD2 3.66Å; F91-F213 HydrophobicContact CD2-CE2 4.15Å; F91-F213 AromaticContact CD2-CG 3.71Å; F91-F213 HydrophobicContact CD2-CG 3.71Å; F91-F213 HydrophobicContact CE1-CB 4.31Å; F91-F213 AromaticContact CE1-CD1 3.86Å; F91-F213 HydrophobicContact CE1-CD1 3.86Å; F91-F213 HydrophobicContact CE1-CE1 4.41Å; F91-F213 HydrophobicContact CE1-CG 4.11Å; F91-F213 HydrophobicContact CE2-CB 3.67Å; F91-F213 HydrophobicContact CE2-CD1 4.42Å; F91-F213 HydrophobicContact CE2-CD2 4.19Å; F91-F213 AromaticContact CE2-CG 3.84Å; F91-F213 HydrophobicContact CE2-CG 3.84Å; F91-F213 AromaticContact CG-CD1 3.9Å; F91-F213 HydrophobicContact CG-CD1 3.9Å; F91-F213 AromaticContact CG-CD2 3.79Å; F91-F213 HydrophobicContact CG-CD2 3.79Å; F91-F213 AromaticContact CG-CE1 3.97Å; F91-F213 HydrophobicContact CG-CE1 3.97Å; F91-F213 AromaticContact CG-CE2 3.87Å; F91-F213 HydrophobicContact CG-CE2 3.87Å; F91-F213 AromaticContact CG-CG 3.8Å; F91-F213 HydrophobicContact CG-CG 3.8Å; F91-F213 AromaticContact CG-CZ 3.93Å; F91-F213 HydrophobicContact CG-CZ 3.93Å; F91-F213 HydrophobicContact CZ-CB 3.8Å; F91-F213 HydrophobicContact CZ-CD1 4.22Å; F91-F213 HydrophobicContact CZ-CG 4.03Å; F91-F213 WeakPolarHBondContact O-CZ 3.48Å; L95-F213 HydrophobicContact CD1-CE2 4.07Å; L95-F213 HydrophobicContact CD1-CZ 4.34Å; L95-F213 HydrophobicContact CD2-CE2 4.31Å; L95-F213 HydrophobicContact CD2-CZ 4.15Å; L95-F213 HydrophobicContact CG-CE2 4.04Å; L95-F213 HydrophobicContact CG-CZ 3.83Å; F168-F213 AromaticContact CD1-CD2 3.9Å; F168-F213 HydrophobicContact CD1-CD2 3.9Å; F168-F213 HydrophobicContact CD2-CD2 4.31Å; F168-F213 HydrophobicContact CE1-CB 3.92Å; F168-F213 AromaticContact CE1-CD2 3.85Å; F168-F213 HydrophobicContact CE1-CD2 3.85Å; F168-F213 HydrophobicContact CE1-CG 4.33Å; F168-F213 HydrophobicContact CE2-CB 4.18Å; F168-F213 HydrophobicContact CE2-CD2 4.28Å; F168-F213 HydrophobicContact CG-CD2 4.14Å; F168-F213 VanDerWaalsContact CZ-CA 3.42Å; F168-F213 HydrophobicContact CZ-CB 3.58Å; F168-F213 HydrophobicContact CZ-CD2 4.06Å; F168-F213 HydrophobicContact CZ-CG 4.33Å; I209-F213 WeakPolarHBondContact O-CB 3.49Å; I209-F213 PolarHBondContact O-N 3.31Å; E211-F213 PolarHBondContact O-N 2.97Å; F213-W216 HydrophobicContact CD2-CE3 4.22Å; F213-W216 HydrophobicContact CE2-CE3 4.25Å; F213-W216 HydrophobicContact CE2-CZ3 4.19Å; F213-W216 PolarHBondContact O-N 3.4Å; F213-K217 HydrophobicContact CE1-CD 3.99Å; F213-K217 HydrophobicContact CZ-CD 4.01Å; F213-K217 WeakPolarHBondContact O-CB 3.46Å; F213-K217 PolarHBondContact O-N 2.93Å
214	M	90.5	Very high	91.8	Very high	50 Å²	50	44.2 Å²	44.2	25%	0.246	24%	0.242	C	C	.	.	H	α-helix	trans	-64.8	-40.3	179.6	-72.6	-64.1	-64.6	0	0	112.4	R94 E210 E211 K217 N218	R94-M214 PolarHBondContact NH2-SD 3.15Å; R94-M214 VanDerWaalsContact NH2-SD 3.39Å; E210-M214 WeakPolarHBondContact O-CB 3.33Å; E210-M214 WeakPolarHBondContact O-CG 3.39Å; E210-M214 PolarHBondContact O-N 2.96Å; E211-M214 PolarHBondContact O-N 2.58Å; E211-M214 VanDerWaalsContact O-N 3.09Å; M214-K217 WeakPolarHBondContact SD-CE 3.48Å; M214-N218 VanDerWaalsContact O-CG 3.26Å; M214-N218 PolarHBondContact O-N 3.34Å; M214-N218 PolarHBondContact O-ND2 3.27Å
215	L	92.1	Very high	91.7	Very high	94 Å²	94	45.1 Å²	45.1	49%	0.492	25%	0.248	S	C	.	.	H	α-helix	trans	-63.4	-51.1	174.7	-69.5	174.2	0	0	0	110.9	E211 K217 N218 E219	E211-L215 HydrophobicContact CG-CD1 4.2Å; E211-L215 WeakPolarHBondContact O-CG 3.22Å; E211-L215 PolarHBondContact O-N 2.8Å; L215-K217 VanDerWaalsContact C-N 3.32Å; L215-K217 PolarHBondContact O-N 3.09Å; L215-N218 PolarHBondContact O-N 3.05Å; L215-E219 PolarHBondContact O-N 2.95Å
216	W	97.5	Very high	91.9	Very high	20 Å²	20	49 Å²	49	8%	0.076	26%	0.261	C	S	.	.	H	α-helix	trans	-59.5	-42.9	177.2	175.5	83.5	0	0	0	112	L95 V131 A166 F168 E199 D212 F213 N218 E219 F220	L95-W216 HydrophobicContact CD1-CH2 4.3Å; L95-W216 HydrophobicContact CD1-CZ3 3.9Å; L95-W216 HydrophobicContact CD2-CZ3 4.09Å; V131-W216 HydrophobicContact CG1-CH2 3.99Å; A166-W216 HydrophobicContact CB-CZ2 4.11Å; F168-W216 HydrophobicContact CB-CD2 4.06Å; F168-W216 HydrophobicContact CB-CE3 3.95Å; F168-W216 HydrophobicContact CB-CH2 3.86Å; F168-W216 HydrophobicContact CB-CZ2 3.93Å; F168-W216 HydrophobicContact CB-CZ3 3.87Å; F168-W216 HydrophobicContact CD2-CB 3.81Å; F168-W216 AromaticContact CD2-CD2 3.44Å; F168-W216 HydrophobicContact CD2-CD2 3.44Å; F168-W216 VanDerWaalsContact CD2-CD2 3.44Å; F168-W216 AromaticContact CD2-CE3 3.63Å; F168-W216 HydrophobicContact CD2-CE3 3.63Å; F168-W216 AromaticContact CD2-CG 3.52Å; F168-W216 HydrophobicContact CD2-CG 3.52Å; F168-W216 HydrophobicContact CD2-CZ3 4.4Å; F168-W216 HydrophobicContact CE2-CB 3.78Å; F168-W216 HydrophobicContact CE2-CD2 4.3Å; F168-W216 HydrophobicContact CE2-CE3 4.47Å; F168-W216 HydrophobicContact CE2-CG 4.02Å; F168-W216 HydrophobicContact CG-CD2 4.13Å; F168-W216 AromaticContact CG-CE3 4Å; F168-W216 HydrophobicContact CG-CE3 4Å; F168-W216 HydrophobicContact CG-CZ3 4.34Å; E199-W216 PolarHBondContact O-NE1 2.98Å; D212-W216 VanDerWaalsContact O-CB 3.29Å; D212-W216 WeakPolarHBondContact O-CB 3.42Å; D212-W216 PolarHBondContact O-N 3.4Å; F213-W216 HydrophobicContact CD2-CE3 4.22Å; F213-W216 HydrophobicContact CE2-CE3 4.25Å; F213-W216 HydrophobicContact CE2-CZ3 4.19Å; F213-W216 PolarHBondContact O-N 3.4Å; W216-N218 VanDerWaalsContact C-N 3.3Å; W216-N218 PolarHBondContact O-N 2.87Å; W216-E219 PolarHBondContact O-N 3.4Å; W216-F220 HydrophobicContact CD2-CB 4.28Å; W216-F220 HydrophobicContact CE3-CB 4.3Å; W216-F220 HydrophobicContact CH2-CB 4.21Å; W216-F220 AromaticContact CH2-CD2 3.83Å; W216-F220 HydrophobicContact CH2-CD2 3.83Å; W216-F220 HydrophobicContact CH2-CE2 4.38Å; W216-F220 AromaticContact CH2-CG 3.92Å; W216-F220 HydrophobicContact CH2-CG 3.92Å; W216-F220 HydrophobicContact CZ2-CB 4.21Å; W216-F220 AromaticContact CZ2-CD2 3.9Å; W216-F220 HydrophobicContact CZ2-CD2 3.9Å; W216-F220 HydrophobicContact CZ2-CG 4.2Å; W216-F220 HydrophobicContact CZ3-CB 4.25Å; W216-F220 HydrophobicContact CZ3-CG 4.2Å; W216-F220 WeakPolarHBondContact O-CB 3.11Å; W216-F220 PolarHBondContact O-N 3.48Å
217	K	94.9	Very high	92.2	Very high	13 Å²	13	48.6 Å²	48.6	6%	0.057	26%	0.255	C	S	.	.	H	α-helix	trans	-60.4	-38.2	-179.9	-179.2	177.2	75.1	109.5	0	112.3	L95 D98 F213 M214 L215 W221	L95-K217 HydrophobicContact CD2-CB 4.42Å; L95-K217 HydrophobicContact CD2-CD 3.93Å; L95-K217 HydrophobicContact CD2-CG 3.69Å; D98-K217 WeakPolarHBondContact OD2-CD 3.38Å; D98-K217 IonicContact OD2-NZ 3.74Å; D98-K217 PolarHBondContact OD2-NZ 3.02Å; F213-K217 HydrophobicContact CE1-CD 3.99Å; F213-K217 HydrophobicContact CZ-CD 4.01Å; F213-K217 WeakPolarHBondContact O-CB 3.46Å; F213-K217 PolarHBondContact O-N 2.93Å; M214-K217 WeakPolarHBondContact SD-CE 3.48Å; L215-K217 VanDerWaalsContact C-N 3.32Å; L215-K217 PolarHBondContact O-N 3.09Å; K217-W221 PolarHBondContact O-N 2.78Å
218	N	92.3	Very high	92.7	Very high	52 Å²	52	46.6 Å²	46.6	28%	0.278	23%	0.233	S	C	.	.	H	α-helix	trans	-68.1	-44	177.9	-69.4	-21	0	0	0	111.9	M214 L215 W216 W221 T222 M405	M214-N218 VanDerWaalsContact O-CG 3.26Å; M214-N218 PolarHBondContact O-N 3.34Å; M214-N218 PolarHBondContact O-ND2 3.27Å; L215-N218 PolarHBondContact O-N 3.05Å; W216-N218 VanDerWaalsContact C-N 3.3Å; W216-N218 PolarHBondContact O-N 2.87Å; N218-W221 PolarHBondContact O-N 3.39Å; N218-T222 PolarHBondContact O-N 3.01Å; N218-T222 PolarHBondContact O-OG1 3.28Å; N218-M405 WeakPolarHBondContact ND2-CE 3.5Å
219	E	95.6	Very high	93.1	Very high	122 Å²	122	52.6 Å²	52.6	57%	0.57	27%	0.265	S	S	*	.	H	α-helix	trans	-66.9	-38.8	174.9	-66	-55.5	136	0	0	111.8	L215 W216 T222 S223	L215-E219 PolarHBondContact O-N 2.95Å; W216-E219 PolarHBondContact O-N 3.4Å; E219-T222 WeakPolarHBondContact O-CB 3.25Å; E219-T222 PolarHBondContact O-N 3.43Å; E219-S223 WeakPolarHBondContact O-CB 3.27Å; E219-S223 PolarHBondContact O-N 3.18Å; E219-S223 PolarHBondContact O-OG 3.4Å
220	F	97.3	Very high	92.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-56.9	-53.6	173.8	166.2	-98.5	0	0	0	110.9	M77 L95 L129 V131 A166 I197 S198 W216 T222 S223 V224	M77-F220 HydrophobicContact CE-CE1 3.97Å; M77-F220 HydrophobicContact CE-CZ 3.61Å; L95-F220 HydrophobicContact CD2-CD1 4.15Å; L95-F220 HydrophobicContact CD2-CE1 4.22Å; L129-F220 HydrophobicContact CD2-CE2 4.41Å; L129-F220 HydrophobicContact CD2-CZ 4.04Å; V131-F220 HydrophobicContact CG2-CE2 3.78Å; V131-F220 HydrophobicContact CG2-CZ 3.7Å; A166-F220 HydrophobicContact CB-CD2 3.78Å; A166-F220 HydrophobicContact CB-CE2 3.59Å; I197-F220 HydrophobicContact CD1-CD2 4.48Å; I197-F220 HydrophobicContact CD1-CE2 3.84Å; S198-F220 WeakPolarHBondContact OG-CA 3.09Å; W216-F220 HydrophobicContact CD2-CB 4.28Å; W216-F220 HydrophobicContact CE3-CB 4.3Å; W216-F220 HydrophobicContact CH2-CB 4.21Å; W216-F220 AromaticContact CH2-CD2 3.83Å; W216-F220 HydrophobicContact CH2-CD2 3.83Å; W216-F220 HydrophobicContact CH2-CE2 4.38Å; W216-F220 AromaticContact CH2-CG 3.92Å; W216-F220 HydrophobicContact CH2-CG 3.92Å; W216-F220 HydrophobicContact CZ2-CB 4.21Å; W216-F220 AromaticContact CZ2-CD2 3.9Å; W216-F220 HydrophobicContact CZ2-CD2 3.9Å; W216-F220 HydrophobicContact CZ2-CG 4.2Å; W216-F220 HydrophobicContact CZ3-CB 4.25Å; W216-F220 HydrophobicContact CZ3-CG 4.2Å; W216-F220 WeakPolarHBondContact O-CB 3.11Å; W216-F220 PolarHBondContact O-N 3.48Å; F220-T222 VanDerWaalsContact C-N 3.31Å; F220-T222 PolarHBondContact O-N 3.31Å; F220-S223 WeakPolarHBondContact O-CB 3.32Å; F220-S223 PolarHBondContact O-N 2.91Å; F220-S223 VanDerWaalsContact O-N 3.11Å; F220-V224 HydrophobicContact CD1-CG2 4.31Å; F220-V224 HydrophobicContact CD2-CG2 4.15Å; F220-V224 HydrophobicContact CE1-CG2 3.84Å; F220-V224 HydrophobicContact CE2-CG2 3.67Å; F220-V224 HydrophobicContact CG-CG2 4.43Å; F220-V224 HydrophobicContact CZ-CG2 3.48Å; F220-V224 VanDerWaalsContact CZ-CG2 3.48Å; F220-V224 VanDerWaalsContact O-CG2 3.3Å; F220-V224 WeakPolarHBondContact O-CG2 3.42Å; F220-V224 PolarHBondContact O-N 3.01Å
221	W	94.3	Very high	92.7	Very high	4 Å²	4	59 Å²	59	2%	0.015	30%	0.303	C	S	.	.	H	α-helix	trans	-64.8	-35.3	179.6	-76.5	124.5	0	0	0	112.9	M77 L95 D98 A99 Y102 M104 K217 N218 S223 V224 C225	M77-W221 HydrophobicContact CE-CH2 4.1Å; M77-W221 HydrophobicContact SD-CH2 3.93Å; L95-W221 WeakPolarHBondContact O-CZ2 3.33Å; D98-W221 HydrophobicContact CB-CZ2 3.69Å; A99-W221 VanDerWaalsContact CA-CH2 3.4Å; A99-W221 HydrophobicContact CB-CH2 3.73Å; A99-W221 HydrophobicContact CB-CZ2 4.36Å; Y102-W221 HydrophobicContact CD1-CE3 4.42Å; Y102-W221 AromaticContact CD2-CD2 3.48Å; Y102-W221 HydrophobicContact CD2-CD2 3.48Å; Y102-W221 VanDerWaalsContact CD2-CD2 3.48Å; Y102-W221 AromaticContact CD2-CE2 3.89Å; Y102-W221 AromaticContact CD2-CE3 3.27Å; Y102-W221 HydrophobicContact CD2-CE3 3.27Å; Y102-W221 HydrophobicContact CD2-CG 4.14Å; Y102-W221 HydrophobicContact CD2-CH2 4.03Å; Y102-W221 HydrophobicContact CD2-CZ2 4.16Å; Y102-W221 AromaticContact CD2-CZ3 3.57Å; Y102-W221 HydrophobicContact CD2-CZ3 3.57Å; Y102-W221 HydrophobicContact CE1-CB 4.15Å; Y102-W221 HydrophobicContact CE1-CG 4.45Å; Y102-W221 HydrophobicContact CE2-CB 3.96Å; Y102-W221 AromaticContact CE2-CD1 3.77Å; Y102-W221 AromaticContact CE2-CD2 3.2Å; Y102-W221 HydrophobicContact CE2-CD2 3.2Å; Y102-W221 AromaticContact CE2-CE2 3.6Å; Y102-W221 AromaticContact CE2-CE3 3.54Å; Y102-W221 HydrophobicContact CE2-CE3 3.54Å; Y102-W221 AromaticContact CE2-CG 3.39Å; Y102-W221 HydrophobicContact CE2-CG 3.39Å; Y102-W221 HydrophobicContact CE2-CZ2 4.28Å; Y102-W221 HydrophobicContact CE2-CZ3 4.21Å; Y102-W221 AromaticContact CE2-NE1 3.88Å; Y102-W221 HydrophobicContact CG-CD2 4.32Å; Y102-W221 AromaticContact CG-CE3 3.76Å; Y102-W221 HydrophobicContact CG-CE3 3.76Å; Y102-W221 HydrophobicContact CG-CZ3 4.08Å; Y102-W221 AromaticContact CZ-CD2 3.84Å; Y102-W221 AromaticContact CZ-CG 3.56Å; Y102-W221 WeakPolarHBondContact OH-CB 3.01Å; M104-W221 HydrophobicContact SD-CZ3 4.13Å; K217-W221 PolarHBondContact O-N 2.78Å; N218-W221 PolarHBondContact O-N 3.39Å; W221-S223 VanDerWaalsContact C-N 3.3Å; W221-S223 PolarHBondContact O-N 3.09Å; W221-V224 HydrophobicContact CE3-CB 4.1Å; W221-V224 HydrophobicContact CE3-CG1 4.03Å; W221-V224 HydrophobicContact CE3-CG2 4.29Å; W221-V224 HydrophobicContact CZ3-CB 4.5Å; W221-V224 HydrophobicContact CZ3-CG1 4.01Å; W221-V224 PolarHBondContact O-N 3.34Å; W221-C225 WeakPolarHBondContact O-CB 3.3Å; W221-C225 PolarHBondContact O-N 3.16Å; W221-C225 PolarHBondContact O-SG 3.32Å
222	T	94.1	Very high	92.2	Very high	85 Å²	85	58.9 Å²	58.9	52%	0.521	32%	0.315	S	S	.	.	H	α-helix	trans	-59.5	-43.7	172.7	-60	0	0	0	0	110.9	N218 E219 F220 K226	N218-T222 PolarHBondContact O-N 3.01Å; N218-T222 PolarHBondContact O-OG1 3.28Å; E219-T222 WeakPolarHBondContact O-CB 3.25Å; E219-T222 PolarHBondContact O-N 3.43Å; F220-T222 VanDerWaalsContact C-N 3.31Å; F220-T222 PolarHBondContact O-N 3.31Å; T222-K226 WeakPolarHBondContact O-CB 3.43Å; T222-K226 PolarHBondContact O-N 3.06Å; T222-K226 VanDerWaalsContact O-N 3.1Å
223	S	96.4	Very high	91	Very high	35 Å²	35	61.3 Å²	61.3	25%	0.245	33%	0.331	C	S	.	.	H	α-helix	trans	-69.7	-42.1	179.5	-54	0	0	0	0	112.4	I197 E219 F220 W221 K226 H227	I197-S223 WeakPolarHBondContact O-CB 3.41Å; E219-S223 WeakPolarHBondContact O-CB 3.27Å; E219-S223 PolarHBondContact O-N 3.18Å; E219-S223 PolarHBondContact O-OG 3.4Å; F220-S223 WeakPolarHBondContact O-CB 3.32Å; F220-S223 PolarHBondContact O-N 2.91Å; F220-S223 VanDerWaalsContact O-N 3.11Å; W221-S223 VanDerWaalsContact C-N 3.3Å; W221-S223 PolarHBondContact O-N 3.09Å; S223-K226 PolarHBondContact O-N 3.29Å; S223-H227 WeakPolarHBondContact O-CB 3.38Å; S223-H227 PolarHBondContact O-N 2.97Å
224	V	95.1	Very high	89.4	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-58.3	-49.9	173.5	170.7	0	0	0	0	110.9	M104 L129 I197 F220 W221 K226 H227 F228	M104-V224 HydrophobicContact SD-CG1 3.56Å; M104-V224 VanDerWaalsContact SD-CG1 3.56Å; L129-V224 HydrophobicContact CD2-CG2 4.02Å; I197-V224 HydrophobicContact CD1-CG2 3.45Å; I197-V224 VanDerWaalsContact CD1-CG2 3.45Å; F220-V224 HydrophobicContact CD1-CG2 4.31Å; F220-V224 HydrophobicContact CD2-CG2 4.15Å; F220-V224 HydrophobicContact CE1-CG2 3.84Å; F220-V224 HydrophobicContact CE2-CG2 3.67Å; F220-V224 HydrophobicContact CG-CG2 4.43Å; F220-V224 HydrophobicContact CZ-CG2 3.48Å; F220-V224 VanDerWaalsContact CZ-CG2 3.48Å; F220-V224 VanDerWaalsContact O-CG2 3.3Å; F220-V224 WeakPolarHBondContact O-CG2 3.42Å; F220-V224 PolarHBondContact O-N 3.01Å; W221-V224 HydrophobicContact CE3-CB 4.1Å; W221-V224 HydrophobicContact CE3-CG1 4.03Å; W221-V224 HydrophobicContact CE3-CG2 4.29Å; W221-V224 HydrophobicContact CZ3-CB 4.5Å; W221-V224 HydrophobicContact CZ3-CG1 4.01Å; W221-V224 PolarHBondContact O-N 3.34Å; V224-K226 VanDerWaalsContact C-N 3.32Å; V224-K226 PolarHBondContact O-N 3.28Å; V224-H227 PolarHBondContact O-N 2.96Å; V224-F228 HydrophobicContact CG1-CD2 3.87Å; V224-F228 HydrophobicContact CG1-CE2 4.34Å; V224-F228 WeakPolarHBondContact O-CD2 3.27Å; V224-F228 PolarHBondContact O-N 3.01Å
225	C	92.9	Very high	88.2	Confident	24 Å²	24	66.4 Å²	66.4	16%	0.162	37%	0.373	C	S	.	.	H	α-helix	trans	-59.3	-44.1	179.7	-71	0	0	0	0	111.6	Y102 W221 N229 I230	Y102-C225 WeakPolarHBondContact CD1-SG 3.45Å; W221-C225 WeakPolarHBondContact O-CB 3.3Å; W221-C225 PolarHBondContact O-N 3.16Å; W221-C225 PolarHBondContact O-SG 3.32Å; C225-N229 CarbonylContact O-C 3.3Å; C225-N229 VanDerWaalsContact O-CA 3.22Å; C225-N229 WeakPolarHBondContact O-CA 3.3Å; C225-N229 PolarHBondContact O-N 2.93Å; C225-I230 VanDerWaalsContact CB-O 3.28Å; C225-I230 WeakPolarHBondContact CB-O 3.41Å; C225-I230 PolarHBondContact O-N 2.95Å
226	K	94.2	Very high	86.7	Confident	183 Å²	183	67 Å²	67	80%	0.796	37%	0.373	S	S	*	.	H	α-helix	trans	-64.4	-43.9	177.2	-177	-179.3	177.4	-176.7	0	112.1	T222 S223 V224	T222-K226 WeakPolarHBondContact O-CB 3.43Å; T222-K226 PolarHBondContact O-N 3.06Å; T222-K226 VanDerWaalsContact O-N 3.1Å; S223-K226 PolarHBondContact O-N 3.29Å; V224-K226 VanDerWaalsContact C-N 3.32Å; V224-K226 PolarHBondContact O-N 3.28Å
227	H	94.2	Very high	84.9	Confident	89 Å²	89	70.1 Å²	70.1	41%	0.412	40%	0.395	S	S	.	.	H	α-helix	trans	-70.1	-46.3	-175.8	-172.8	81.8	0	0	0	112.3	N164 N195 S223 V224 N229	N164-H227 PolarHBondContact OD1-NE2 3.24Å; N195-H227 PolarHBondContact ND2-CE1 3Å; S223-H227 WeakPolarHBondContact O-CB 3.38Å; S223-H227 PolarHBondContact O-N 2.97Å; V224-H227 PolarHBondContact O-N 2.96Å; H227-N229 VanDerWaalsContact C-N 3.35Å
228	F	92.4	Very high	83.6	Confident	33 Å²	33	71.6 Å²	71.6	15%	0.145	41%	0.407	C	S	.	.	H	α-helix	trans	-90.4	2.2	-179.1	-65.5	-71.1	0	0	0	113.8	M104 N127 L129 N164 V224 I230	M104-F228 HydrophobicContact CE-CE2 4.48Å; N127-F228 HydrophobicContact CB-CD1 3.97Å; N127-F228 HydrophobicContact CB-CE1 3.71Å; L129-F228 HydrophobicContact CB-CE2 4.36Å; L129-F228 HydrophobicContact CB-CZ 4.21Å; L129-F228 HydrophobicContact CD2-CE2 4.24Å; N164-F228 HydrophobicContact CB-CZ 4.32Å; V224-F228 HydrophobicContact CG1-CD2 3.87Å; V224-F228 HydrophobicContact CG1-CE2 4.34Å; V224-F228 WeakPolarHBondContact O-CD2 3.27Å; V224-F228 PolarHBondContact O-N 3.01Å; F228-I230 VanDerWaalsContact C-N 3.31Å; F228-I230 HydrophobicContact CB-CD1 3.53Å; F228-I230 HydrophobicContact CB-CG1 3.7Å; F228-I230 HydrophobicContact CG-CD1 4.36Å; F228-I230 PolarHBondContact O-N 2.82Å
229	N	90.3	Very high	82.9	Confident	153 Å²	153	72.2 Å²	72.2	82%	0.818	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	46.2	-175.7	-167.4	39.3	0	0	0	112.7	C225 H227	C225-N229 CarbonylContact O-C 3.3Å; C225-N229 VanDerWaalsContact O-CA 3.22Å; C225-N229 WeakPolarHBondContact O-CA 3.3Å; C225-N229 PolarHBondContact O-N 2.93Å; H227-N229 VanDerWaalsContact C-N 3.35Å
230	I	87	Confident	82.5	Confident	44 Å²	44	70 Å²	70	23%	0.226	40%	0.395	C	S	.	.			trans	-104.3	143.7	180	-52	167.4	0	0	0	109.7	Y102 M104 C225 F228	Y102-I230 WeakPolarHBondContact O-CG2 3.28Å; M104-I230 HydrophobicContact CG-CD1 3.88Å; M104-I230 HydrophobicContact SD-CD1 4.15Å; C225-I230 VanDerWaalsContact CB-O 3.28Å; C225-I230 WeakPolarHBondContact CB-O 3.41Å; C225-I230 PolarHBondContact O-N 2.95Å; F228-I230 VanDerWaalsContact C-N 3.31Å; F228-I230 HydrophobicContact CB-CD1 3.53Å; F228-I230 HydrophobicContact CB-CG1 3.7Å; F228-I230 HydrophobicContact CG-CD1 4.36Å; F228-I230 PolarHBondContact O-N 2.82Å
231	T	81.6	Confident	82.1	Confident	118 Å²	118	72.2 Å²	72.2	72%	0.724	41%	0.405	S	S	*	.			trans	-107.5	147.7	169.4	37.9	0	0	0	0	110	V233	T231-V233 PolarHBondContact O-N 3.05Å
232	A	74.2	Confident	82.1	Confident	69 Å²	69	72.5 Å²	72.5	57%	0.57	41%	0.406	S	S	*	.			trans	-61	127.2	175.3	0	0	0	0	0	110.1	Y102	Y102-A232 HydrophobicContact CD1-CB 4.23Å; Y102-A232 HydrophobicContact CE1-CB 4.09Å
233	V	69.3	Low	82.2	Confident	99 Å²	99	74.9 Å²	74.9	60%	0.6	41%	0.41	S	S	*	.			trans	-89.3	-33.5	-172.1	-173.2	0	0	0	0	111.6	R101 T231	R101-V233 WeakPolarHBondContact O-CB 3.49Å; R101-V233 PolarHBondContact O-N 2.93Å; T231-V233 PolarHBondContact O-N 3.05Å
234	T	61.8	Low	82.2	Confident	78 Å²	78	75.8 Å²	75.8	48%	0.479	41%	0.412	S	S	.	.	S	Bend	trans	-142.1	153.1	-171.3	52.8	0	0	0	0	113.5
235	A	63.7	Low	82.3	Confident	79 Å²	79	78.1 Å²	78.1	65%	0.653	43%	0.426	S	S	*	.			trans	-65.5	169.4	168.5	0	0	0	0	0	112.2	V237	A235-V237 PolarHBondContact O-N 2.86Å
236	E	60.7	Low	82.6	Confident	106 Å²	106	81 Å²	81	50%	0.495	44%	0.442	S	S	.	.			trans	-63.1	97.1	174.3	-60	-147.4	104	0	0	111.9	R101 K384	R101-E236 IonicContact CZ-OE1 3.04Å; R101-E236 VanDerWaalsContact CZ-OE1 3.27Å; R101-E236 VanDerWaalsContact NH1-CG 3.29Å; R101-E236 IonicContact NH1-OE1 3.27Å; R101-E236 PolarHBondContact NH1-OE1 3.44Å; R101-E236 VanDerWaalsContact NH2-CD 3.28Å; R101-E236 IonicContact NH2-OE1 3.74Å; R101-E236 PolarHBondContact NH2-OE1 2.86Å; E236-K384 VanDerWaalsContact CD-NZ 3.29Å; E236-K384 IonicContact OE1-NZ 2.77Å; E236-K384 PolarHBondContact OE1-NZ 3.2Å; E236-K384 WeakPolarHBondContact OE2-CE 3.4Å; E236-K384 IonicContact OE2-NZ 2.68Å; E236-K384 PolarHBondContact OE2-NZ 3.42Å
237	V	59.7	Low	82.7	Confident	86 Å²	86	74.5 Å²	74.5	52%	0.521	41%	0.414	S	S	.	.			trans	-98.9	124	169.5	-175.2	0	0	0	0	108.5	A235 M239	A235-V237 PolarHBondContact O-N 2.86Å; V237-M239 HydrophobicContact CB-CG 4.46Å; V237-M239 HydrophobicContact CG1-CG 4.11Å; V237-M239 PolarHBondContact O-N 3.36Å; V237-M239 VanDerWaalsContact O-N 3.14Å
238	S	68.7	Low	82.7	Confident	44 Å²	44	74.5 Å²	74.5	31%	0.308	42%	0.417	S	S	.	.			trans	-63.6	110	163.8	169.4	0	0	0	0	107.9	E385	S238-E385 WeakPolarHBondContact CB-OE2 3.46Å; S238-E385 PolarHBondContact OG-OE2 3.02Å
239	M	76.3	Confident	82.6	Confident	65 Å²	65	79.2 Å²	79.2	32%	0.32	45%	0.451	S	S	.	.			trans	-108.8	131.6	173.2	-69.1	179.9	-71.1	0	0	108.9	K97 L100 V237	K97-M239 WeakPolarHBondContact CE-O 3.42Å; K97-M239 PolarHBondContact NZ-O 3.23Å; L100-M239 HydrophobicContact CD2-CE 3.49Å; L100-M239 VanDerWaalsContact CD2-CE 3.49Å; L100-M239 HydrophobicContact CD2-SD 3.75Å; V237-M239 HydrophobicContact CB-CG 4.46Å; V237-M239 HydrophobicContact CG1-CG 4.11Å; V237-M239 PolarHBondContact O-N 3.36Å; V237-M239 VanDerWaalsContact O-N 3.14Å
240	R	88.5	Confident	82.7	Confident	77 Å²	77	76.6 Å²	76.6	29%	0.291	45%	0.445	S	S	.	.			trans	-66.6	132.9	170.2	-64.3	-63	-58.9	-84.4	-6	109.2	I348 D439 E443	R240-I348 WeakPolarHBondContact O-CD1 3.18Å; R240-D439 IonicContact CZ-OD2 3.83Å; R240-D439 IonicContact NH1-OD2 2.87Å; R240-D439 PolarHBondContact NH1-OD2 3.06Å; R240-D439 IonicContact NH2-OD2 3.81Å; R240-D439 PolarHBondContact NH2-OD2 3.31Å; R240-E443 IonicContact CZ-OE2 3.41Å; R240-E443 IonicContact NE-OE1 2.84Å; R240-E443 IonicContact NE-OE2 3.62Å; R240-E443 PolarHBondContact NE-OE2 3.39Å; R240-E443 IonicContact NH2-OE2 2.7Å; R240-E443 PolarHBondContact NH2-OE2 2.58Å
241	E	87.7	Confident	83	Confident	46 Å²	46	79.1 Å²	79.1	22%	0.215	46%	0.456	C	S	.	.	S	Bend	trans	-85	-22	176.3	-68.2	177.3	-156.9	0	0	112.1	K97 S347 I348 E443	K97-E241 HydrophobicContact CD-CG 4.48Å; K97-E241 WeakPolarHBondContact CD-OE1 3.19Å; K97-E241 IonicContact NZ-OE1 3.56Å; E241-S347 WeakPolarHBondContact O-CA 3.27Å; E241-I348 WeakPolarHBondContact O-CG1 3.33Å; E241-I348 PolarHBondContact O-N 2.96Å; E241-E443 PolarHBondContact N-OE1 3.16Å
242	Y	94.7	Very high	83.4	Confident	9 Å²	9	80.7 Å²	80.7	4%	0.035	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.5	-177.2	-56.4	-90.8	0	0	0	111.6	L345 T346 P357 E443	Y242-L345 HydrophobicContact CG-CB 4.38Å; Y242-T346 CarbonylContact C-O 3.57Å; Y242-T346 VanDerWaalsContact CA-O 3.24Å; Y242-T346 WeakPolarHBondContact CA-O 3.35Å; Y242-P357 HydrophobicContact CD1-CG 4.27Å; Y242-P357 HydrophobicContact CD2-CB 4.37Å; Y242-P357 HydrophobicContact CD2-CG 4.23Å; Y242-P357 HydrophobicContact CE1-CB 4.35Å; Y242-P357 VanDerWaalsContact CE1-CD 3.49Å; Y242-P357 HydrophobicContact CE1-CG 4.3Å; Y242-P357 HydrophobicContact CE2-CB 3.95Å; Y242-P357 HydrophobicContact CE2-CG 4.28Å; Y242-P357 HydrophobicContact CG-CG 4.24Å; Y242-E443 HydrophobicContact CD2-CB 4.46Å; Y242-E443 HydrophobicContact CD2-CG 3.76Å; Y242-E443 HydrophobicContact CE2-CG 4.24Å
243	K	95.8	Very high	84.3	Confident	135 Å²	135	80 Å²	80	59%	0.587	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	125.4	169.2	-179.3	-176.6	175.7	-173.2	0	109.4	T346 I348	K243-T346 PolarHBondContact N-O 2.83Å; K243-T346 PolarHBondContact O-N 2.83Å; K243-T346 PolarHBondContact O-OG1 2.86Å; K243-I348 HydrophobicContact CB-CG2 4.26Å
244	L	97.7	Very high	85.4	Confident	55 Å²	55	80.9 Å²	80.9	29%	0.288	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	129.9	169.4	177.6	65.3	0	0	0	110.9	V246 I343 L345 D439	L244-V246 HydrophobicContact CD1-CG2 4.19Å; L244-V246 HydrophobicContact CD2-CG2 3.96Å; L244-V246 HydrophobicContact CG-CG2 3.96Å; L244-I343 HydrophobicContact CD1-CB 3.88Å; L244-I343 HydrophobicContact CD1-CD1 4.33Å; L244-I343 HydrophobicContact CD1-CG2 3.89Å; L244-L345 HydrophobicContact CB-CD2 4.04Å; L244-L345 HydrophobicContact CD1-CD2 3.75Å; L244-D439 HydrophobicContact CD1-CB 4.05Å; L244-D439 HydrophobicContact CD2-CB 4.09Å; L244-D439 HydrophobicContact CG-CB 4.44Å
245	T	97.8	Very high	87.1	Confident	49 Å²	49	80 Å²	80	30%	0.301	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.8	164.2	-54.7	0	0	0	0	107.6	F247 I343 A344	T245-F247 HydrophobicContact CG2-CD1 4.46Å; T245-F247 HydrophobicContact CG2-CE1 4.05Å; T245-F247 HydrophobicContact CG2-CE2 4.24Å; T245-F247 HydrophobicContact CG2-CZ 3.94Å; T245-I343 CarbonylContact O-C 3.49Å; T245-I343 VanDerWaalsContact O-CA 3.26Å; T245-I343 WeakPolarHBondContact O-CA 3.24Å; T245-A344 PolarHBondContact N-O 3.39Å; T245-A344 PolarHBondContact O-N 3.19Å
246	V	97.4	Very high	88.6	Confident	84 Å²	84	77.4 Å²	77.4	51%	0.509	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130	173.6	-174.6	0	0	0	0	106.9	L244 I343	L244-V246 HydrophobicContact CD1-CG2 4.19Å; L244-V246 HydrophobicContact CD2-CG2 3.96Å; L244-V246 HydrophobicContact CG-CG2 3.96Å; V246-I343 HydrophobicContact CG2-CG2 4.17Å
247	F	97	Very high	90.2	Very high	46 Å²	46	75.2 Å²	75.2	20%	0.202	41%	0.412	C	S	.	.			trans	-96.5	143.3	-177.1	-62.9	-83.8	0	0	0	111	T245 I253 V342 A344 P361	T245-F247 HydrophobicContact CG2-CD1 4.46Å; T245-F247 HydrophobicContact CG2-CE1 4.05Å; T245-F247 HydrophobicContact CG2-CE2 4.24Å; T245-F247 HydrophobicContact CG2-CZ 3.94Å; F247-I253 HydrophobicContact CB-CD1 3.79Å; F247-I253 HydrophobicContact CD1-CD1 3.01Å; F247-I253 HydrophobicContact CD1-CG1 4.48Å; F247-I253 HydrophobicContact CD2-CD1 4.27Å; F247-I253 HydrophobicContact CE1-CD1 3.49Å; F247-I253 VanDerWaalsContact CE1-CD1 3.49Å; F247-I253 HydrophobicContact CG-CD1 3.43Å; F247-I253 VanDerWaalsContact CG-CD1 3.43Å; F247-I253 HydrophobicContact CZ-CD1 4.28Å; F247-V342 HydrophobicContact CB-CB 4.29Å; F247-V342 HydrophobicContact CB-CG1 4.27Å; F247-V342 HydrophobicContact CD2-CG1 3.83Å; F247-V342 HydrophobicContact CG-CG1 4.4Å; F247-V342 PolarHBondContact N-O 3.36Å; F247-A344 HydrophobicContact CE2-CB 3.66Å; F247-A344 HydrophobicContact CZ-CB 4.05Å; F247-P361 HydrophobicContact CD2-CB 4.49Å; F247-P361 HydrophobicContact CE2-CB 3.84Å; F247-P361 HydrophobicContact CZ-CB 4.37Å
248	D	94.4	Very high	91.8	Very high	90 Å²	90	71.2 Å²	71.2	48%	0.481	39%	0.388	S	S	.	.			trans	-72.4	141.1	175.1	-172.3	-85.1	0	0	0	110.3	S250 E251	D248-S250 PolarHBondContact O-N 3.17Å; D248-S250 WeakPolarHBondContact OD1-CB 3.14Å; D248-S250 PolarHBondContact OD1-N 3.21Å; D248-S250 PolarHBondContact OD1-OG 2.84Å; D248-E251 HydrophobicContact CB-CG 4.25Å; D248-E251 PolarHBondContact N-OE1 3.05Å; D248-E251 WeakPolarHBondContact O-CB 3.4Å; D248-E251 PolarHBondContact O-N 3.45Å
249	P	90.9	Very high	93	Very high	132 Å²	132	69.1 Å²	69.1	86%	0.857	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-18.7	177.2	-26.9	35.6	0	0	0	115.3
250	S	91.5	Very high	93.7	Very high	97 Å²	97	67.5 Å²	67.5	68%	0.678	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-15.5	174.9	65.7	0	0	0	0	114.2	D248	D248-S250 PolarHBondContact O-N 3.17Å; D248-S250 WeakPolarHBondContact OD1-CB 3.14Å; D248-S250 PolarHBondContact OD1-N 3.21Å; D248-S250 PolarHBondContact OD1-OG 2.84Å
251	E	92.8	Very high	93.7	Very high	98 Å²	98	66.3 Å²	66.3	46%	0.458	37%	0.374	S	S	.	.	S	Bend	trans	-76.2	128.3	179.6	-65.7	179.9	-115.2	0	0	111.3	D248 I253	D248-E251 HydrophobicContact CB-CG 4.25Å; D248-E251 PolarHBondContact N-OE1 3.05Å; D248-E251 WeakPolarHBondContact O-CB 3.4Å; D248-E251 PolarHBondContact O-N 3.45Å; E251-I253 HydrophobicContact CB-CD1 3.78Å; E251-I253 HydrophobicContact CB-CG1 4.08Å; E251-I253 PolarHBondContact O-N 2.91Å
252	T	90.4	Very high	93.9	Very high	150 Å²	150	71.8 Å²	71.8	92%	0.92	39%	0.392	S	S	*	.			trans	-86.7	99.6	175.1	-55.6	0	0	0	0	109.6
253	I	92.8	Very high	93.8	Very high	56 Å²	56	73.6 Å²	73.6	29%	0.287	40%	0.402	S	S	.	.			trans	-126.5	136.7	-178	-57.6	164.8	0	0	0	109.3	F247 E251 L255 P361	F247-I253 HydrophobicContact CB-CD1 3.79Å; F247-I253 HydrophobicContact CD1-CD1 3.01Å; F247-I253 HydrophobicContact CD1-CG1 4.48Å; F247-I253 HydrophobicContact CD2-CD1 4.27Å; F247-I253 HydrophobicContact CE1-CD1 3.49Å; F247-I253 VanDerWaalsContact CE1-CD1 3.49Å; F247-I253 HydrophobicContact CG-CD1 3.43Å; F247-I253 VanDerWaalsContact CG-CD1 3.43Å; F247-I253 HydrophobicContact CZ-CD1 4.28Å; E251-I253 HydrophobicContact CB-CD1 3.78Å; E251-I253 HydrophobicContact CB-CG1 4.08Å; E251-I253 PolarHBondContact O-N 2.91Å; I253-L255 HydrophobicContact CB-CD2 4.21Å; I253-L255 HydrophobicContact CG2-CD2 4.02Å; I253-L255 PolarHBondContact O-N 2.99Å; I253-P361 HydrophobicContact CG2-CB 4.37Å; I253-P361 HydrophobicContact CG2-CG 3.75Å
254	E	94.3	Very high	93.7	Very high	117 Å²	117	68.6 Å²	68.6	55%	0.547	38%	0.382	S	S	.	.			trans	-73.4	123.8	171.4	-65.1	-161.9	124.3	0	0	110.3	L263 N264	E254-L263 HydrophobicContact CB-CD2 3.68Å; E254-L263 HydrophobicContact CB-CG 4.42Å; E254-N264 VanDerWaalsContact CD-ND2 3.3Å; E254-N264 PolarHBondContact OE1-ND2 3.23Å; E254-N264 PolarHBondContact OE2-ND2 3.38Å
255	L	95.6	Very high	93.4	Very high	60 Å²	60	66.3 Å²	66.3	31%	0.314	37%	0.371	S	S	.	.			trans	-106.4	140.8	-173.8	-52.9	-176.4	0	0	0	111.8	I253 L263 V342 P361	I253-L255 HydrophobicContact CB-CD2 4.21Å; I253-L255 HydrophobicContact CG2-CD2 4.02Å; I253-L255 PolarHBondContact O-N 2.99Å; L255-L263 WeakPolarHBondContact O-CD1 3.33Å; L255-V342 HydrophobicContact CD1-CG1 4.19Å; L255-V342 HydrophobicContact CD1-CG2 3.72Å; L255-V342 HydrophobicContact CD2-CG1 3.44Å; L255-V342 VanDerWaalsContact CD2-CG1 3.44Å; L255-V342 HydrophobicContact CD2-CG2 4.46Å; L255-V342 HydrophobicContact CG-CG1 4.47Å; L255-P361 HydrophobicContact CD2-CB 4.15Å; L255-P361 HydrophobicContact CD2-CG 4.37Å
256	F	96.7	Very high	93	Very high	24 Å²	24	65.7 Å²	65.7	11%	0.105	36%	0.363	C	S	.	.			trans	-66.1	135.6	161	-72	-93.1	0	0	0	109.2	E259 A261 L263 P359 C360 P361 C362	F256-E259 HydrophobicContact CD1-CB 4.06Å; F256-A261 WeakPolarHBondContact CE1-O 3.27Å; F256-L263 HydrophobicContact CB-CD1 4.45Å; F256-L263 HydrophobicContact CD1-CB 4.49Å; F256-L263 HydrophobicContact CD1-CD1 4.11Å; F256-L263 HydrophobicContact CD2-CD1 3.78Å; F256-L263 HydrophobicContact CE1-CB 3.89Å; F256-L263 HydrophobicContact CE1-CD1 4.3Å; F256-L263 VanDerWaalsContact CE1-N 3.32Å; F256-L263 HydrophobicContact CE2-CB 4.14Å; F256-L263 HydrophobicContact CE2-CD1 4Å; F256-L263 HydrophobicContact CE2-CG 4.49Å; F256-L263 HydrophobicContact CG-CD1 3.84Å; F256-L263 HydrophobicContact CZ-CB 3.7Å; F256-L263 HydrophobicContact CZ-CD1 4.26Å; F256-P359 HydrophobicContact CB-CB 4.45Å; F256-P359 HydrophobicContact CD1-CB 3.43Å; F256-P359 VanDerWaalsContact CD1-CB 3.43Å; F256-P359 HydrophobicContact CD2-CB 4.34Å; F256-P359 HydrophobicContact CE1-CB 3.59Å; F256-P359 HydrophobicContact CE2-CB 4.46Å; F256-P359 HydrophobicContact CG-CB 3.84Å; F256-P359 HydrophobicContact CZ-CB 4.11Å; F256-C360 WeakPolarHBondContact CE2-O 3.18Å; F256-P361 PolarHBondContact N-O 2.86Å; F256-C362 HydrophobicContact CB-CB 4.09Å; F256-C362 WeakPolarHBondContact O-CB 3.41Å
257	S	94.2	Very high	92.6	Very high	60 Å²	60	68.7 Å²	68.7	42%	0.42	37%	0.369	S	S	.	.	S	Bend	trans	-119.1	18.9	-177.1	62.9	0	0	0	0	112	E259	S257-E259 PolarHBondContact N-OE2 2.83Å; S257-E259 PolarHBondContact OG-OE1 3.14Å; S257-E259 PolarHBondContact OG-OE2 2.76Å; S257-E259 VanDerWaalsContact OG-OE2 3.1Å
258	G	93.2	Very high	92.3	Very high	2 Å²	2	71.6 Å²	71.6	2%	0.021	39%	0.386	C	S	.	.	S	Bend	trans	112.1	7.1	-176.7	0	0	0	0	0	114.1	Y266 Y371 K504	G258-Y266 WeakPolarHBondContact O-CE2 3.41Å; G258-Y266 PolarHBondContact O-OH 2.8Å; G258-Y371 VanDerWaalsContact C-OH 3.23Å; G258-Y371 WeakPolarHBondContact CA-OH 3.47Å; G258-Y371 PolarHBondContact N-OH 2.9Å; G258-Y371 VanDerWaalsContact N-OH 3.16Å; G258-K504 PolarHBondContact O-NZ 2.74Å
259	E	93.5	Very high	92.1	Very high	0 Å²	0	70 Å²	70	0%	0	38%	0.375	C	S	.	.			trans	-55.6	141.3	169	-62.8	87.3	156	0	0	110.4	F256 S257 R262 N264 S265 Y266 Y371	F256-E259 HydrophobicContact CD1-CB 4.06Å; S257-E259 PolarHBondContact N-OE2 2.83Å; S257-E259 PolarHBondContact OG-OE1 3.14Å; S257-E259 PolarHBondContact OG-OE2 2.76Å; S257-E259 VanDerWaalsContact OG-OE2 3.1Å; E259-R262 WeakPolarHBondContact CB-O 3.22Å; E259-R262 WeakPolarHBondContact CG-O 3.42Å; E259-N264 PolarHBondContact OE1-N 3.46Å; E259-S265 VanDerWaalsContact CG-OG 3.25Å; E259-S265 WeakPolarHBondContact CG-OG 3.48Å; E259-Y266 VanDerWaalsContact CA-CZ 3.41Å; E259-Y266 WeakPolarHBondContact CA-OH 3.44Å; E259-Y266 HydrophobicContact CB-CD2 4.45Å; E259-Y266 HydrophobicContact CB-CE2 4.24Å; E259-Y266 HydrophobicContact CG-CD1 4.08Å; E259-Y266 HydrophobicContact CG-CD2 3.7Å; E259-Y266 HydrophobicContact CG-CE1 4.35Å; E259-Y266 HydrophobicContact CG-CE2 3.99Å; E259-Y266 HydrophobicContact CG-CG 3.74Å; E259-Y266 VanDerWaalsContact N-CE2 3.28Å; E259-Y371 PolarHBondContact N-OH 3.33Å; E259-Y371 WeakPolarHBondContact O-CE1 3.25Å; E259-Y371 PolarHBondContact O-OH 3.02Å
260	V	90.2	Very high	92.1	Very high	30 Å²	30	71.1 Å²	71.1	18%	0.182	36%	0.362	C	S	.	.	S	Bend	trans	-72.5	-36.2	-175.8	178.6	0	0	0	0	112.3	Y266 P278 Y320 P359	V260-Y266 PolarHBondContact N-OH 3.31Å; V260-P278 HydrophobicContact CG2-CG 3.74Å; V260-Y320 HydrophobicContact CG1-CE1 4.35Å; V260-Y320 HydrophobicContact CG2-CD1 3.85Å; V260-Y320 HydrophobicContact CG2-CE1 3.74Å; V260-P359 WeakPolarHBondContact O-CG 3.31Å
261	A	89.2	Confident	91.9	Very high	53 Å²	53	68.4 Å²	68.4	44%	0.438	35%	0.346	S	S	.	.	S	Bend	trans	-145.8	-51.7	-175.6	0	0	0	0	0	113	F256 K276	F256-A261 WeakPolarHBondContact CE1-O 3.27Å; A261-K276 HydrophobicContact CB-CB 4.38Å
262	R	91.7	Very high	91.7	Very high	161 Å²	161	66.4 Å²	66.4	61%	0.608	34%	0.341	S	S	*	.	S	Bend	trans	-98.4	125.3	-172.9	-177.2	-178.9	175.9	172.9	4.6	112.1	E259 S265	E259-R262 WeakPolarHBondContact CB-O 3.22Å; E259-R262 WeakPolarHBondContact CG-O 3.42Å; R262-S265 WeakPolarHBondContact O-CB 3.1Å; R262-S265 PolarHBondContact O-N 3.39Å; R262-S265 PolarHBondContact O-OG 3.22Å
263	L	93.3	Very high	91.6	Very high	47 Å²	47	60.4 Å²	60.4	25%	0.246	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	141.1	174.2	-172.8	60.9	0	0	0	111.4	E254 L255 F256 S265	E254-L263 HydrophobicContact CB-CD2 3.68Å; E254-L263 HydrophobicContact CB-CG 4.42Å; L255-L263 WeakPolarHBondContact O-CD1 3.33Å; F256-L263 HydrophobicContact CB-CD1 4.45Å; F256-L263 HydrophobicContact CD1-CB 4.49Å; F256-L263 HydrophobicContact CD1-CD1 4.11Å; F256-L263 HydrophobicContact CD2-CD1 3.78Å; F256-L263 HydrophobicContact CE1-CB 3.89Å; F256-L263 HydrophobicContact CE1-CD1 4.3Å; F256-L263 VanDerWaalsContact CE1-N 3.32Å; F256-L263 HydrophobicContact CE2-CB 4.14Å; F256-L263 HydrophobicContact CE2-CD1 4Å; F256-L263 HydrophobicContact CE2-CG 4.49Å; F256-L263 HydrophobicContact CG-CD1 3.84Å; F256-L263 HydrophobicContact CZ-CB 3.7Å; F256-L263 HydrophobicContact CZ-CD1 4.26Å; L263-S265 PolarHBondContact O-N 3.07Å; L263-S265 VanDerWaalsContact O-N 3.07Å
264	N	92.8	Very high	91.1	Very high	30 Å²	30	60.1 Å²	60.1	16%	0.16	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	7.1	-178.6	-64.9	-44.3	0	0	0	115.4	E254 E259 Y266 K267 I268	E254-N264 VanDerWaalsContact CD-ND2 3.3Å; E254-N264 PolarHBondContact OE1-ND2 3.23Å; E254-N264 PolarHBondContact OE2-ND2 3.38Å; E259-N264 PolarHBondContact OE1-N 3.46Å; N264-Y266 PolarHBondContact O-N 3.09Å; N264-K267 HydrophobicContact CB-CD 4.45Å; N264-K267 PolarHBondContact O-N 3.07Å; N264-K267 WeakPolarHBondContact OD1-CD 3.36Å; N264-K267 WeakPolarHBondContact OD1-CE 3.33Å; N264-K267 PolarHBondContact OD1-NZ 2.63Å; N264-I268 PolarHBondContact O-N 3.47Å
265	S	91.2	Very high	90.4	Very high	7 Å²	7	58.4 Å²	58.4	5%	0.049	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.7	-179.6	57.8	0	0	0	0	113.8	E259 R262 L263 I268 Q269	E259-S265 VanDerWaalsContact CG-OG 3.25Å; E259-S265 WeakPolarHBondContact CG-OG 3.48Å; R262-S265 WeakPolarHBondContact O-CB 3.1Å; R262-S265 PolarHBondContact O-N 3.39Å; R262-S265 PolarHBondContact O-OG 3.22Å; L263-S265 PolarHBondContact O-N 3.07Å; L263-S265 VanDerWaalsContact O-N 3.07Å; S265-I268 CarbonylContact O-C 3.48Å; S265-I268 VanDerWaalsContact O-C 3.3Å; S265-Q269 PolarHBondContact O-N 3.04Å
266	Y	89.9	Confident	89.9	Confident	35 Å²	35	59.5 Å²	59.5	14%	0.137	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-23	173.7	-67.8	-11.3	0	0	0	113.8	G258 E259 V260 N264 P278 L280 K504	G258-Y266 WeakPolarHBondContact O-CE2 3.41Å; G258-Y266 PolarHBondContact O-OH 2.8Å; E259-Y266 VanDerWaalsContact CA-CZ 3.41Å; E259-Y266 WeakPolarHBondContact CA-OH 3.44Å; E259-Y266 HydrophobicContact CB-CD2 4.45Å; E259-Y266 HydrophobicContact CB-CE2 4.24Å; E259-Y266 HydrophobicContact CG-CD1 4.08Å; E259-Y266 HydrophobicContact CG-CD2 3.7Å; E259-Y266 HydrophobicContact CG-CE1 4.35Å; E259-Y266 HydrophobicContact CG-CE2 3.99Å; E259-Y266 HydrophobicContact CG-CG 3.74Å; E259-Y266 VanDerWaalsContact N-CE2 3.28Å; V260-Y266 PolarHBondContact N-OH 3.31Å; N264-Y266 PolarHBondContact O-N 3.09Å; Y266-P278 HydrophobicContact CE1-CG 4.13Å; Y266-L280 HydrophobicContact CD1-CD1 4.15Å; Y266-L280 HydrophobicContact CD1-CD2 3.9Å; Y266-L280 HydrophobicContact CD1-CG 4.19Å; Y266-L280 HydrophobicContact CE1-CD2 4.07Å; Y266-L280 HydrophobicContact CG-CD1 4.1Å; Y266-L280 HydrophobicContact CG-CD2 4.23Å; Y266-K504 HydrophobicContact CE2-CD 3.98Å; Y266-K504 HydrophobicContact CE2-CG 4.39Å; Y266-K504 WeakPolarHBondContact OH-CD 3.32Å
267	K	89.8	Confident	89.5	Confident	148 Å²	148	59.5 Å²	59.5	64%	0.643	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-39.8	171.6	-60.6	178.3	-171.6	160.5	0	110.6	N264	N264-K267 HydrophobicContact CB-CD 4.45Å; N264-K267 PolarHBondContact O-N 3.07Å; N264-K267 WeakPolarHBondContact OD1-CD 3.36Å; N264-K267 WeakPolarHBondContact OD1-CE 3.33Å; N264-K267 PolarHBondContact OD1-NZ 2.63Å
268	I	90.8	Very high	89.4	Confident	107 Å²	107	56.7 Å²	56.7	55%	0.549	28%	0.275	S	S	.	.	S	Bend	trans	-125.8	88.4	-179.5	-52.1	174.7	0	0	0	108.9	N264 S265 R270	N264-I268 PolarHBondContact O-N 3.47Å; S265-I268 CarbonylContact O-C 3.48Å; S265-I268 VanDerWaalsContact O-C 3.3Å; I268-R270 HydrophobicContact CG2-CG 4.33Å; I268-R270 PolarHBondContact O-N 3.03Å
269	Q	88.9	Confident	89.4	Confident	55 Å²	55	57.2 Å²	57.2	26%	0.257	28%	0.277	S	S	.	.			trans	-70	127.1	174.6	-69.3	-130.2	-79.8	0	0	110.9	S265 F273 P278 F279 L280	S265-Q269 PolarHBondContact O-N 3.04Å; Q269-F273 HydrophobicContact CB-CE1 3.99Å; Q269-F273 HydrophobicContact CB-CZ 4.14Å; Q269-F273 HydrophobicContact CG-CE1 4.5Å; Q269-P278 PolarHBondContact NE2-O 3.21Å; Q269-F279 VanDerWaalsContact OE1-CD2 3.23Å; Q269-L280 HydrophobicContact CG-CD1 4.31Å; Q269-L280 HydrophobicContact CG-CG 4.39Å
270	R	90.4	Very high	89.3	Confident	157 Å²	157	58.9 Å²	58.9	59%	0.592	29%	0.286	S	S	*	.			trans	-129.8	134.1	172.1	-64.8	-173.7	-179.1	-176	1.3	109.5	I268 N277	I268-R270 HydrophobicContact CG2-CG 4.33Å; I268-R270 PolarHBondContact O-N 3.03Å; R270-N277 PolarHBondContact O-ND2 2.69Å
271	A	88.1	Confident	89.4	Confident	39 Å²	39	57.5 Å²	57.5	32%	0.322	28%	0.277	S	S	.	.	S	Bend	trans	-66.7	156.8	169	0	0	0	0	0	110.8	F273	A271-F273 HydrophobicContact CB-CD2 4.29Å; A271-F273 HydrophobicContact CB-CE2 4.01Å
272	P	89	Confident	89.5	Confident	56 Å²	56	58 Å²	58	36%	0.364	28%	0.276	S	S	.	.	P	Polyproline II helix	cis	-74.2	148.9	1.4	31.2	-35.2	0	0	0	113	I57 H274 N277	I57-P272 HydrophobicContact CD1-CB 4.4Å; I57-P272 HydrophobicContact CD1-CG 4.25Å; P272-H274 PolarHBondContact O-CD2 3.39Å; P272-N277 PolarHBondContact O-ND2 3.21Å
273	F	88.4	Confident	89.5	Confident	24 Å²	24	51.5 Å²	51.5	11%	0.105	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-98	132.2	174.4	-59.3	-71.4	0	0	0	110	Q269 A271 N277 F279 S307 L309	Q269-F273 HydrophobicContact CB-CE1 3.99Å; Q269-F273 HydrophobicContact CB-CZ 4.14Å; Q269-F273 HydrophobicContact CG-CE1 4.5Å; A271-F273 HydrophobicContact CB-CD2 4.29Å; A271-F273 HydrophobicContact CB-CE2 4.01Å; F273-N277 CarbonylContact C-O 3.6Å; F273-N277 VanDerWaalsContact CA-O 3.25Å; F273-N277 WeakPolarHBondContact CA-O 3.36Å; F273-F279 HydrophobicContact CB-CB 4.1Å; F273-F279 HydrophobicContact CD1-CB 3.93Å; F273-F279 HydrophobicContact CD1-CD2 4.14Å; F273-F279 HydrophobicContact CD2-CB 4.27Å; F273-F279 HydrophobicContact CD2-CD2 4.05Å; F273-F279 HydrophobicContact CD2-CG 4.42Å; F273-F279 HydrophobicContact CE1-CB 4.45Å; F273-F279 AromaticContact CE1-CD2 3.84Å; F273-F279 HydrophobicContact CE1-CD2 3.84Å; F273-F279 AromaticContact CE2-CD2 3.75Å; F273-F279 HydrophobicContact CE2-CD2 3.75Å; F273-F279 HydrophobicContact CE2-CE2 4.32Å; F273-F279 HydrophobicContact CG-CB 3.83Å; F273-F279 HydrophobicContact CG-CD2 4.24Å; F273-F279 HydrophobicContact CG-CG 4.42Å; F273-F279 AromaticContact CZ-CD2 3.63Å; F273-F279 HydrophobicContact CZ-CD2 3.63Å; F273-F279 HydrophobicContact CZ-CE2 4.21Å; F273-S307 WeakPolarHBondContact CD2-O 3.19Å; F273-S307 WeakPolarHBondContact CE2-O 3.5Å; F273-L309 HydrophobicContact CB-CD1 4.3Å; F273-L309 HydrophobicContact CB-CD2 4.18Å; F273-L309 HydrophobicContact CB-CG 4.47Å
274	H	82.7	Confident	89.5	Confident	50 Å²	50	52.8 Å²	52.8	23%	0.231	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-161.7	-174.2	-175.9	57.4	98	0	0	0	109.7	P272 K276 N277 P278	P272-H274 PolarHBondContact O-CD2 3.39Å; H274-K276 VanDerWaalsContact C-N 3.27Å; H274-K276 PolarHBondContact ND1-N 3.4Å; H274-K276 PolarHBondContact O-N 2.91Å; H274-K276 VanDerWaalsContact O-N 3.16Å; H274-N277 PolarHBondContact N-O 3.24Å; H274-N277 CarbonylContact O-C 3.57Å; H274-N277 PolarHBondContact O-N 2.8Å; H274-N277 VanDerWaalsContact O-O 3.08Å; H274-P278 VanDerWaalsContact O-N 3.17Å
275	H	79.5	Confident	89.6	Confident	81 Å²	81	52.9 Å²	52.9	38%	0.375	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.5	-174.2	66.8	-90.4	0	0	0	115.2	Y320	H275-Y320 WeakPolarHBondContact CA-OH 3.47Å; H275-Y320 PolarHBondContact O-OH 3.1Å
276	K	83.7	Confident	89.7	Confident	83 Å²	83	53.9 Å²	53.9	36%	0.361	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-11.9	174	-74.1	159.1	-174	175	0	112.5	E112 A261 H274	E112-K276 IonicContact OE2-NZ 3.51Å; E112-K276 PolarHBondContact OE2-NZ 3.46Å; A261-K276 HydrophobicContact CB-CB 4.38Å; H274-K276 VanDerWaalsContact C-N 3.27Å; H274-K276 PolarHBondContact ND1-N 3.4Å; H274-K276 PolarHBondContact O-N 2.91Å; H274-K276 VanDerWaalsContact O-N 3.16Å
277	N	88.9	Confident	89.9	Confident	25 Å²	25	58.4 Å²	58.4	13%	0.134	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-144.8	73.3	-179.3	-178.6	38.9	0	0	0	110.1	R270 P272 F273 H274	R270-N277 PolarHBondContact O-ND2 2.69Å; P272-N277 PolarHBondContact O-ND2 3.21Å; F273-N277 CarbonylContact C-O 3.6Å; F273-N277 VanDerWaalsContact CA-O 3.25Å; F273-N277 WeakPolarHBondContact CA-O 3.36Å; H274-N277 PolarHBondContact N-O 3.24Å; H274-N277 CarbonylContact O-C 3.57Å; H274-N277 PolarHBondContact O-N 2.8Å; H274-N277 VanDerWaalsContact O-O 3.08Å
278	P	92.1	Very high	90	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.262	C	S	.	.			trans	-68.6	152.5	-174.6	28.1	-35	0	0	0	111.9	V260 Y266 Q269 H274 Y320 K504 V505	V260-P278 HydrophobicContact CG2-CG 3.74Å; Y266-P278 HydrophobicContact CE1-CG 4.13Å; Q269-P278 PolarHBondContact NE2-O 3.21Å; H274-P278 VanDerWaalsContact O-N 3.17Å; P278-Y320 HydrophobicContact CB-CD2 4.02Å; P278-Y320 HydrophobicContact CB-CE2 3.79Å; P278-Y320 HydrophobicContact CG-CD2 4.29Å; P278-Y320 HydrophobicContact CG-CE2 4.22Å; P278-K504 HydrophobicContact CG-CB 4.47Å; P278-V505 WeakPolarHBondContact CB-O 3.47Å
279	F	92.4	Very high	90.1	Very high	14 Å²	14	52.2 Å²	52.2	6%	0.061	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	136.1	173.3	-177.7	-120.5	0	0	0	110.2	Q269 F273 A281 S303 L309 V505	Q269-F279 VanDerWaalsContact OE1-CD2 3.23Å; F273-F279 HydrophobicContact CB-CB 4.1Å; F273-F279 HydrophobicContact CD1-CB 3.93Å; F273-F279 HydrophobicContact CD1-CD2 4.14Å; F273-F279 HydrophobicContact CD2-CB 4.27Å; F273-F279 HydrophobicContact CD2-CD2 4.05Å; F273-F279 HydrophobicContact CD2-CG 4.42Å; F273-F279 HydrophobicContact CE1-CB 4.45Å; F273-F279 AromaticContact CE1-CD2 3.84Å; F273-F279 HydrophobicContact CE1-CD2 3.84Å; F273-F279 AromaticContact CE2-CD2 3.75Å; F273-F279 HydrophobicContact CE2-CD2 3.75Å; F273-F279 HydrophobicContact CE2-CE2 4.32Å; F273-F279 HydrophobicContact CG-CB 3.83Å; F273-F279 HydrophobicContact CG-CD2 4.24Å; F273-F279 HydrophobicContact CG-CG 4.42Å; F273-F279 AromaticContact CZ-CD2 3.63Å; F273-F279 HydrophobicContact CZ-CD2 3.63Å; F273-F279 HydrophobicContact CZ-CE2 4.21Å; F279-A281 HydrophobicContact CD1-CB 3.73Å; F279-A281 HydrophobicContact CE1-CB 3.9Å; F279-A281 PolarHBondContact O-N 2.86Å; F279-A281 VanDerWaalsContact O-N 3.16Å; F279-S303 WeakPolarHBondContact CE1-O 3.43Å; F279-L309 HydrophobicContact CB-CD1 3.98Å; F279-L309 HydrophobicContact CD1-CD1 4.38Å; F279-L309 HydrophobicContact CG-CD1 4.34Å; F279-V505 HydrophobicContact CD1-CG2 4.49Å; F279-V505 PolarHBondContact N-O 3.21Å; F279-V505 PolarHBondContact O-N 2.86Å; F279-V505 VanDerWaalsContact O-O 3.13Å
280	L	92.6	Very high	90	Very high	35 Å²	35	53.9 Å²	53.9	18%	0.183	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	85.6	173.7	-62.7	-178	0	0	0	108.1	Y266 Q269 P282 V502 K504	Y266-L280 HydrophobicContact CD1-CD1 4.15Å; Y266-L280 HydrophobicContact CD1-CD2 3.9Å; Y266-L280 HydrophobicContact CD1-CG 4.19Å; Y266-L280 HydrophobicContact CE1-CD2 4.07Å; Y266-L280 HydrophobicContact CG-CD1 4.1Å; Y266-L280 HydrophobicContact CG-CD2 4.23Å; Q269-L280 HydrophobicContact CG-CD1 4.31Å; Q269-L280 HydrophobicContact CG-CG 4.39Å; L280-P282 VanDerWaalsContact O-CD 3.3Å; L280-P282 WeakPolarHBondContact O-CD 3.44Å; L280-V502 HydrophobicContact CB-CG1 4Å; L280-K504 HydrophobicContact CD2-CB 4.37Å; L280-K504 HydrophobicContact CD2-CG 3.66Å
281	A	91.9	Very high	89.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.			trans	-81.2	119.3	-172.3	0	0	0	0	0	111.8	F279 L283 F302 S303 V502 P503 V505	F279-A281 HydrophobicContact CD1-CB 3.73Å; F279-A281 HydrophobicContact CE1-CB 3.9Å; F279-A281 PolarHBondContact O-N 2.86Å; F279-A281 VanDerWaalsContact O-N 3.16Å; A281-L283 PolarHBondContact O-N 3.39Å; A281-F302 HydrophobicContact CB-CB 3.79Å; A281-F302 HydrophobicContact CB-CG 4.48Å; A281-S303 WeakPolarHBondContact CB-O 3.3Å; A281-V502 WeakPolarHBondContact O-CG1 3.49Å; A281-P503 PolarHBondContact N-O 2.66Å; A281-P503 VanDerWaalsContact N-O 3.16Å; A281-P503 WeakPolarHBondContact O-CD 3.46Å; A281-P503 WeakPolarHBondContact O-CG 3.17Å; A281-V505 HydrophobicContact CB-CB 4.41Å; A281-V505 HydrophobicContact CB-CG1 4.25Å; A281-V505 HydrophobicContact CB-CG2 3.3Å
282	P	91.4	Very high	88.4	Confident	64 Å²	64	59.6 Å²	59.6	42%	0.416	29%	0.294	S	S	.	.			trans	-59.9	137.6	178	-24.8	35.4	0	0	0	112.5	L280 K284 F302 S303	L280-P282 VanDerWaalsContact O-CD 3.3Å; L280-P282 WeakPolarHBondContact O-CD 3.44Å; P282-K284 PolarHBondContact O-N 2.91Å; P282-F302 CarbonylContact O-C 3.59Å; P282-F302 WeakPolarHBondContact O-CA 3.49Å; P282-S303 PolarHBondContact O-N 3.45Å
283	L	92.9	Very high	87.5	Confident	24 Å²	24	66.4 Å²	66.4	13%	0.126	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	115.4	177.9	-173.8	70.3	0	0	0	111.2	A281 N286 I300 F302 L494 R496	A281-L283 PolarHBondContact O-N 3.39Å; L283-N286 HydrophobicContact CD1-CB 4.21Å; L283-N286 HydrophobicContact CD2-CB 3.96Å; L283-N286 HydrophobicContact CG-CB 4.39Å; L283-I300 HydrophobicContact CD1-CG2 3.48Å; L283-I300 VanDerWaalsContact CD1-CG2 3.48Å; L283-F302 HydrophobicContact CD1-CD1 4.26Å; L283-F302 HydrophobicContact CD1-CE1 4.11Å; L283-L494 HydrophobicContact CD2-CB 3.88Å; L283-R496 HydrophobicContact CD2-CG 4.24Å; L283-R496 HydrophobicContact CG-CG 4.43Å
284	K	92.7	Very high	86.8	Confident	74 Å²	74	74.3 Å²	74.3	32%	0.322	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-47.5	175.5	-68.4	-175	71.2	-179.3	0	112.2	P282 E301 D462 T465 R496	P282-K284 PolarHBondContact O-N 2.91Å; K284-E301 HydrophobicContact CB-CB 3.95Å; K284-E301 PolarHBondContact N-O 2.83Å; K284-D462 IonicContact NZ-OD2 3.74Å; K284-D462 PolarHBondContact NZ-OD2 3.29Å; K284-T465 HydrophobicContact CD-CG2 3.99Å; K284-T465 WeakPolarHBondContact CD-OG1 3.15Å; K284-T465 PolarHBondContact NZ-OG1 3.08Å; K284-R496 VanDerWaalsContact O-CD 3.29Å; K284-R496 WeakPolarHBondContact O-CD 3.34Å; K284-R496 PolarHBondContact O-NE 2.81Å; K284-R496 PolarHBondContact O-NH1 2.7Å; K284-R496 VanDerWaalsContact O-NH1 3.13Å
285	V	94.1	Very high	86.8	Confident	33 Å²	33	81.3 Å²	81.3	20%	0.2	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	139.5	-176.9	179.3	0	0	0	0	109	R287 I300 E301	V285-R287 HydrophobicContact CG1-CB 4.48Å; V285-R287 HydrophobicContact CG1-CG 4.01Å; V285-I300 CarbonylContact O-C 3.54Å; V285-I300 VanDerWaalsContact O-CA 3.27Å; V285-I300 WeakPolarHBondContact O-CA 3.43Å; V285-E301 HydrophobicContact CB-CB 3.85Å; V285-E301 HydrophobicContact CB-CG 3.9Å; V285-E301 HydrophobicContact CG2-CB 4.2Å; V285-E301 VanDerWaalsContact CG2-CD 3.49Å; V285-E301 HydrophobicContact CG2-CG 4.2Å; V285-E301 VanDerWaalsContact CG2-OE2 3.27Å; V285-E301 WeakPolarHBondContact CG2-OE2 3.39Å; V285-E301 PolarHBondContact N-O 3.25Å; V285-E301 PolarHBondContact O-N 3.42Å
286	N	94.6	Very high	87.2	Confident	27 Å²	27	79.7 Å²	79.7	14%	0.144	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	100	166.3	-173.1	-4.5	0	0	0	107.9	L283 R298 H299 L491 L494	L283-N286 HydrophobicContact CD1-CB 4.21Å; L283-N286 HydrophobicContact CD2-CB 3.96Å; L283-N286 HydrophobicContact CG-CB 4.39Å; N286-R298 PolarHBondContact O-NH2 2.9Å; N286-R298 VanDerWaalsContact OD1-CZ 3.3Å; N286-R298 PolarHBondContact OD1-NE 3.15Å; N286-R298 PolarHBondContact OD1-NH2 2.79Å; N286-H299 WeakPolarHBondContact CA-O 3.29Å; N286-L491 PolarHBondContact ND2-O 2.87Å; N286-L494 PolarHBondContact ND2-O 3.04Å
287	R	93.6	Very high	87.7	Confident	131 Å²	131	76.5 Å²	76.5	49%	0.494	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	150.5	-177.5	66.5	-174.8	179.6	96.3	-0.8	111.1	V285 R298 H299	V285-R287 HydrophobicContact CG1-CB 4.48Å; V285-R287 HydrophobicContact CG1-CG 4.01Å; R287-R298 WeakPolarHBondContact O-CA 3.39Å; R287-H299 HydrophobicContact CG-CB 4.23Å; R287-H299 PolarHBondContact N-O 3.15Å; R287-H299 PolarHBondContact O-N 3.49Å
288	D	92.3	Very high	88	Confident	51 Å²	51	77.5 Å²	77.5	27%	0.273	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	139.5	168.9	-150.3	-23.2	0	0	0	109.1	H290 T296 C297	D288-H290 PolarHBondContact OD1-N 3.48Å; D288-T296 WeakPolarHBondContact OD2-CG2 3.3Å; D288-C297 CarbonylContact C-O 3.59Å; D288-C297 WeakPolarHBondContact CA-O 3.47Å; D288-C297 PolarHBondContact OD1-N 3.22Å
289	L	91.9	Very high	88.2	Confident	74 Å²	74	78.7 Å²	78.7	39%	0.387	37%	0.374	S	S	.	.	S	Bend	trans	-91	-19.2	171.8	-71	178.1	0	0	0	111.5	C297 H299 T469	L289-C297 HydrophobicContact CB-CB 4.46Å; L289-C297 WeakPolarHBondContact CB-O 3.39Å; L289-C297 PolarHBondContact N-O 2.62Å; L289-H299 HydrophobicContact CD1-CB 4.02Å; L289-H299 HydrophobicContact CD2-CB 3.71Å; L289-H299 HydrophobicContact CG-CB 3.79Å; L289-T469 HydrophobicContact CD1-CG2 3.77Å
290	H	86.2	Confident	88.4	Confident	89 Å²	89	78 Å²	78	41%	0.412	37%	0.371	S	S	.	.			trans	-93.6	149.7	177.3	-59.1	137.3	0	0	0	112	D288 R295 C297	D288-H290 PolarHBondContact OD1-N 3.48Å; H290-R295 WeakPolarHBondContact CB-O 3.48Å; H290-R295 PolarHBondContact ND1-O 2.97Å; H290-C297 WeakPolarHBondContact CE1-CB 3.44Å; H290-C297 WeakPolarHBondContact ND1-CB 3.26Å; H290-C297 PolarHBondContact ND1-N 3.32Å
291	C	72.7	Confident	88.5	Confident	122 Å²	122	78.7 Å²	78.7	82%	0.824	37%	0.373	S	S	*	.	S	Bend	trans	-100.1	-2.9	174.5	-58.5	0	0	0	0	113.2
292	Y	72	Confident	88.6	Confident	195 Å²	195	78.7 Å²	78.7	77%	0.765	37%	0.373	S	S	*	.	S	Bend	trans	-122.1	149.8	-173	-51.9	-78.2	0	0	0	111.2	E294	Y292-E294 PolarHBondContact O-N 3.33Å
293	E	71.3	Confident	88.7	Confident	198 Å²	198	76.5 Å²	76.5	93%	0.925	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-17.4	-166.1	-61.8	-172.5	167.6	0	0	115.7	R295	E293-R295 PolarHBondContact O-N 3Å
294	E	72.7	Confident	88.7	Confident	190 Å²	190	75.8 Å²	75.8	89%	0.888	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-31.1	-172.3	-71.1	-169.1	169.8	0	0	113.8	Y292	Y292-E294 PolarHBondContact O-N 3.33Å
295	R	82.8	Confident	88.6	Confident	197 Å²	197	76.6 Å²	76.6	74%	0.743	37%	0.367	S	S	*	.			trans	-139.9	133	-177.8	-64.1	-175.7	-178.4	-172.9	-0.1	110.2	H290 E293	H290-R295 WeakPolarHBondContact CB-O 3.48Å; H290-R295 PolarHBondContact ND1-O 2.97Å; E293-R295 PolarHBondContact O-N 3Å
296	T	89.2	Confident	88.3	Confident	48 Å²	48	78.2 Å²	78.2	29%	0.294	39%	0.39	S	S	.	.			trans	-105.8	132.7	175	-63.7	0	0	0	0	109.3	D288 R298 V472	D288-T296 WeakPolarHBondContact OD2-CG2 3.3Å; T296-R298 HydrophobicContact CG2-CG 4.2Å; T296-V472 HydrophobicContact CG2-CB 4.03Å; T296-V472 HydrophobicContact CG2-CG2 3.44Å; T296-V472 VanDerWaalsContact CG2-CG2 3.44Å; T296-V472 PolarHBondContact O-N 2.98Å
297	C	93.6	Very high	88.1	Confident	16 Å²	16	77.1 Å²	77.1	11%	0.108	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	119.7	173	-177.6	0	0	0	0	109.1	D288 L289 H290 T469	D288-C297 CarbonylContact C-O 3.59Å; D288-C297 WeakPolarHBondContact CA-O 3.47Å; D288-C297 PolarHBondContact OD1-N 3.22Å; L289-C297 HydrophobicContact CB-CB 4.46Å; L289-C297 WeakPolarHBondContact CB-O 3.39Å; L289-C297 PolarHBondContact N-O 2.62Å; H290-C297 WeakPolarHBondContact CE1-CB 3.44Å; H290-C297 WeakPolarHBondContact ND1-CB 3.26Å; H290-C297 PolarHBondContact ND1-N 3.32Å; C297-T469 VanDerWaalsContact SG-CG2 3.55Å
298	R	94.6	Very high	87.8	Confident	46 Å²	46	80.9 Å²	80.9	17%	0.174	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	128.1	-172.8	-54.4	-58.8	-68.2	-166.7	-7.3	110.4	N286 R287 T296 I300 T469 A470 V472 A492	N286-R298 PolarHBondContact O-NH2 2.9Å; N286-R298 VanDerWaalsContact OD1-CZ 3.3Å; N286-R298 PolarHBondContact OD1-NE 3.15Å; N286-R298 PolarHBondContact OD1-NH2 2.79Å; R287-R298 WeakPolarHBondContact O-CA 3.39Å; T296-R298 HydrophobicContact CG2-CG 4.2Å; R298-I300 HydrophobicContact CB-CD1 3.85Å; R298-I300 HydrophobicContact CB-CG1 3.72Å; R298-T469 WeakPolarHBondContact O-CA 3.45Å; R298-A470 PolarHBondContact N-O 3.4Å; R298-A470 PolarHBondContact O-N 2.91Å; R298-V472 HydrophobicContact CG-CG2 3.73Å; R298-A492 HydrophobicContact CG-CB 4.22Å
299	H	96.5	Very high	87.7	Confident	25 Å²	25	80 Å²	80	12%	0.116	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	119.4	158.6	178.7	79.3	0	0	0	108.3	N286 R287 L289 E301	N286-H299 WeakPolarHBondContact CA-O 3.29Å; R287-H299 HydrophobicContact CG-CB 4.23Å; R287-H299 PolarHBondContact N-O 3.15Å; R287-H299 PolarHBondContact O-N 3.49Å; L289-H299 HydrophobicContact CD1-CB 4.02Å; L289-H299 HydrophobicContact CD2-CB 3.71Å; L289-H299 HydrophobicContact CG-CB 3.79Å; H299-E301 IonicContact CD2-OE1 3.37Å; H299-E301 IonicContact CE1-OE1 2.62Å; H299-E301 WeakPolarHBondContact NE2-CG 3.46Å; H299-E301 IonicContact NE2-OE1 3.21Å; H299-E301 PolarHBondContact NE2-OE1 3.05Å
300	I	96.1	Very high	87.5	Confident	0 Å²	0	86.9 Å²	86.9	0%	0	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.2	-173.9	-50.7	-177.3	0	0	0	108.9	L283 V285 R298 F302 S467 I468 L491	L283-I300 HydrophobicContact CD1-CG2 3.48Å; L283-I300 VanDerWaalsContact CD1-CG2 3.48Å; V285-I300 CarbonylContact O-C 3.54Å; V285-I300 VanDerWaalsContact O-CA 3.27Å; V285-I300 WeakPolarHBondContact O-CA 3.43Å; R298-I300 HydrophobicContact CB-CD1 3.85Å; R298-I300 HydrophobicContact CB-CG1 3.72Å; I300-F302 HydrophobicContact CB-CE2 4.37Å; I300-F302 HydrophobicContact CB-CZ 4.32Å; I300-F302 HydrophobicContact CG2-CD1 4.48Å; I300-F302 HydrophobicContact CG2-CD2 4.46Å; I300-F302 HydrophobicContact CG2-CE1 3.79Å; I300-F302 HydrophobicContact CG2-CE2 3.79Å; I300-F302 HydrophobicContact CG2-CZ 3.42Å; I300-F302 VanDerWaalsContact CG2-CZ 3.42Å; I300-S467 CarbonylContact O-C 3.57Å; I300-S467 WeakPolarHBondContact O-CA 3.49Å; I300-S467 WeakPolarHBondContact O-CB 3.33Å; I300-I468 HydrophobicContact CB-CD1 4.47Å; I300-I468 HydrophobicContact CB-CG1 3.88Å; I300-I468 HydrophobicContact CD1-CD1 4.49Å; I300-I468 PolarHBondContact N-O 2.8Å; I300-I468 PolarHBondContact O-N 3.24Å; I300-L491 HydrophobicContact CD1-CB 3.66Å; I300-L491 HydrophobicContact CD1-CD1 4.2Å; I300-L491 HydrophobicContact CD1-CD2 4.05Å; I300-L491 HydrophobicContact CD1-CG 4.2Å
301	E	95.5	Very high	87.7	Confident	48 Å²	48	83.3 Å²	83.3	22%	0.224	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.1	176.7	-65.2	172.4	-157.1	0	0	110.1	K284 V285 H299 T465 V466	K284-E301 HydrophobicContact CB-CB 3.95Å; K284-E301 PolarHBondContact N-O 2.83Å; V285-E301 HydrophobicContact CB-CB 3.85Å; V285-E301 HydrophobicContact CB-CG 3.9Å; V285-E301 HydrophobicContact CG2-CB 4.2Å; V285-E301 VanDerWaalsContact CG2-CD 3.49Å; V285-E301 HydrophobicContact CG2-CG 4.2Å; V285-E301 VanDerWaalsContact CG2-OE2 3.27Å; V285-E301 WeakPolarHBondContact CG2-OE2 3.39Å; V285-E301 PolarHBondContact N-O 3.25Å; V285-E301 PolarHBondContact O-N 3.42Å; H299-E301 IonicContact CD2-OE1 3.37Å; H299-E301 IonicContact CE1-OE1 2.62Å; H299-E301 WeakPolarHBondContact NE2-CG 3.46Å; H299-E301 IonicContact NE2-OE1 3.21Å; H299-E301 PolarHBondContact NE2-OE1 3.05Å; E301-T465 HydrophobicContact CB-CG2 3.9Å; E301-T465 HydrophobicContact CG-CG2 4.21Å; E301-V466 CarbonylContact C-O 3.52Å; E301-V466 WeakPolarHBondContact CA-O 3.5Å
302	F	94.8	Very high	88.6	Confident	0 Å²	0	82 Å²	82	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	140.3	175.8	-49.4	-86	0	0	0	110	A281 P282 L283 I300 L317 T465 V466 I468 L491 P503 V505	A281-F302 HydrophobicContact CB-CB 3.79Å; A281-F302 HydrophobicContact CB-CG 4.48Å; P282-F302 CarbonylContact O-C 3.59Å; P282-F302 WeakPolarHBondContact O-CA 3.49Å; L283-F302 HydrophobicContact CD1-CD1 4.26Å; L283-F302 HydrophobicContact CD1-CE1 4.11Å; I300-F302 HydrophobicContact CB-CE2 4.37Å; I300-F302 HydrophobicContact CB-CZ 4.32Å; I300-F302 HydrophobicContact CG2-CD1 4.48Å; I300-F302 HydrophobicContact CG2-CD2 4.46Å; I300-F302 HydrophobicContact CG2-CE1 3.79Å; I300-F302 HydrophobicContact CG2-CE2 3.79Å; I300-F302 HydrophobicContact CG2-CZ 3.42Å; I300-F302 VanDerWaalsContact CG2-CZ 3.42Å; F302-L317 HydrophobicContact CD2-CD2 3.45Å; F302-L317 VanDerWaalsContact CD2-CD2 3.45Å; F302-L317 HydrophobicContact CE2-CD2 3.4Å; F302-L317 HydrophobicContact CG-CD2 4.47Å; F302-L317 HydrophobicContact CZ-CD2 4.4Å; F302-T465 WeakPolarHBondContact O-CA 3.25Å; F302-V466 HydrophobicContact CB-CG1 3.96Å; F302-V466 HydrophobicContact CD2-CG1 4.27Å; F302-V466 PolarHBondContact N-O 2.94Å; F302-V466 PolarHBondContact O-N 3.08Å; F302-I468 HydrophobicContact CE2-CD1 3.83Å; F302-I468 HydrophobicContact CE2-CG1 3.9Å; F302-I468 HydrophobicContact CZ-CD1 4.11Å; F302-L491 HydrophobicContact CE1-CD2 4.36Å; F302-L491 HydrophobicContact CZ-CD2 3.88Å; F302-P503 HydrophobicContact CD1-CB 4.31Å; F302-P503 HydrophobicContact CD1-CG 3.56Å; F302-P503 HydrophobicContact CE1-CB 3.77Å; F302-P503 HydrophobicContact CE1-CG 3.37Å; F302-V505 HydrophobicContact CD1-CG1 4.24Å; F302-V505 HydrophobicContact CE1-CG1 4.31Å; F302-V505 HydrophobicContact CG-CG1 4.36Å; F302-V505 HydrophobicContact CZ-CG1 4.48Å
303	S	93.2	Very high	89.4	Confident	19 Å²	19	76.1 Å²	76.1	13%	0.133	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	134.2	173.8	-174.2	0	0	0	0	110.6	F279 A281 P282 V305 D464	F279-S303 WeakPolarHBondContact CE1-O 3.43Å; A281-S303 WeakPolarHBondContact CB-O 3.3Å; P282-S303 PolarHBondContact O-N 3.45Å; S303-V305 WeakPolarHBondContact OG-CG2 3.35Å; S303-V305 PolarHBondContact OG-N 2.97Å; S303-D464 CarbonylContact C-O 3.48Å; S303-D464 WeakPolarHBondContact CA-O 3.5Å
304	L	91.9	Very high	90	Very high	8 Å²	8	69.2 Å²	69.2	4%	0.042	35%	0.353	C	S	.	.			trans	-99.8	2.6	173.4	-60.7	-177.1	0	0	0	112.7	G306 S307 L309 Y311 D464 V466	L304-G306 PolarHBondContact O-N 2.89Å; L304-S307 VanDerWaalsContact O-CB 3.26Å; L304-S307 WeakPolarHBondContact O-CB 3.38Å; L304-S307 PolarHBondContact O-N 2.6Å; L304-S307 PolarHBondContact O-OG 3.36Å; L304-L309 HydrophobicContact CD2-CD1 4.4Å; L304-Y311 HydrophobicContact CD1-CD1 3.84Å; L304-Y311 HydrophobicContact CD1-CE1 4.11Å; L304-D464 PolarHBondContact N-O 3.28Å; L304-V466 HydrophobicContact CD1-CB 4.12Å; L304-V466 HydrophobicContact CD1-CG1 4.24Å; L304-V466 HydrophobicContact CD2-CG1 3.8Å; L304-V466 HydrophobicContact CG-CB 4.35Å; L304-V466 HydrophobicContact CG-CG1 4.01Å
305	V	91.7	Very high	90.8	Very high	91 Å²	91	60.4 Å²	60.4	55%	0.552	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	131	-178.9	176	0	0	0	0	110.3	S303 S307 D464	S303-V305 WeakPolarHBondContact OG-CG2 3.35Å; S303-V305 PolarHBondContact OG-N 2.97Å; V305-S307 PolarHBondContact O-N 2.74Å; V305-D464 HydrophobicContact CG2-CB 3.85Å
306	G	88.1	Confident	91	Very high	68 Å²	68	52 Å²	52	70%	0.701	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-11.8	-179.1	0	0	0	0	0	115.1	L304	L304-G306 PolarHBondContact O-N 2.89Å
307	S	89	Confident	91.1	Very high	3 Å²	3	50 Å²	50	2%	0.021	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-29.5	178.7	73.4	0	0	0	0	113.4	F273 L304 V305 L309	F273-S307 WeakPolarHBondContact CD2-O 3.19Å; F273-S307 WeakPolarHBondContact CE2-O 3.5Å; L304-S307 VanDerWaalsContact O-CB 3.26Å; L304-S307 WeakPolarHBondContact O-CB 3.38Å; L304-S307 PolarHBondContact O-N 2.6Å; L304-S307 PolarHBondContact O-OG 3.36Å; V305-S307 PolarHBondContact O-N 2.74Å; S307-L309 PolarHBondContact O-N 3.13Å; S307-L309 VanDerWaalsContact OG-CB 3.3Å; S307-L309 WeakPolarHBondContact OG-CB 3.43Å; S307-L309 WeakPolarHBondContact OG-CG 3.43Å; S307-L309 PolarHBondContact OG-N 2.98Å
308	R	87.9	Confident	91.1	Very high	210 Å²	210	49.3 Å²	49.3	79%	0.792	26%	0.264	S	S	*	.			trans	58.4	14.2	-165.3	-56.6	-179.8	-70.1	-172.6	-1.8	113.9
309	L	89.3	Confident	91	Very high	33 Å²	33	47.1 Å²	47.1	17%	0.173	26%	0.256	C	S	.	.			trans	-66.5	147.9	173	-69.7	169.6	0	0	0	110	F273 F279 L304 S307 W507	F273-L309 HydrophobicContact CB-CD1 4.3Å; F273-L309 HydrophobicContact CB-CD2 4.18Å; F273-L309 HydrophobicContact CB-CG 4.47Å; F279-L309 HydrophobicContact CB-CD1 3.98Å; F279-L309 HydrophobicContact CD1-CD1 4.38Å; F279-L309 HydrophobicContact CG-CD1 4.34Å; L304-L309 HydrophobicContact CD2-CD1 4.4Å; S307-L309 PolarHBondContact O-N 3.13Å; S307-L309 VanDerWaalsContact OG-CB 3.3Å; S307-L309 WeakPolarHBondContact OG-CB 3.43Å; S307-L309 WeakPolarHBondContact OG-CG 3.43Å; S307-L309 PolarHBondContact OG-N 2.98Å; L309-W507 HydrophobicContact CD2-CB 4.48Å
310	R	89.3	Confident	90.8	Very high	218 Å²	218	47.1 Å²	47.1	82%	0.823	26%	0.255	S	S	*	.			trans	-131	143.9	172.6	-62.3	-176.1	179.9	-158	-1.3	107.3
311	Y	90.1	Very high	90.8	Very high	14 Å²	14	47.5 Å²	47.5	6%	0.055	26%	0.258	C	S	.	.			trans	-135.4	159.6	177.8	75.4	-83.3	0	0	0	109.9	L304 I455 S457 S458 P459 T465 V466	L304-Y311 HydrophobicContact CD1-CD1 3.84Å; L304-Y311 HydrophobicContact CD1-CE1 4.11Å; Y311-I455 HydrophobicContact CD2-CD1 3.71Å; Y311-I455 HydrophobicContact CD2-CG2 3.91Å; Y311-I455 HydrophobicContact CE2-CD1 4.39Å; Y311-I455 HydrophobicContact CE2-CG2 3.51Å; Y311-I455 HydrophobicContact CG-CD1 4.12Å; Y311-S457 WeakPolarHBondContact OH-CB 3.23Å; Y311-S457 PolarHBondContact OH-OG 3.4Å; Y311-S458 VanDerWaalsContact OH-C 3.31Å; Y311-P459 HydrophobicContact CD1-CB 4.28Å; Y311-P459 HydrophobicContact CE1-CB 3.81Å; Y311-P459 HydrophobicContact CE2-CB 4.17Å; Y311-P459 HydrophobicContact CE2-CG 4.2Å; Y311-P459 WeakPolarHBondContact O-CG 3.26Å; Y311-T465 PolarHBondContact OH-O 3.02Å; Y311-V466 HydrophobicContact CE1-CB 4.25Å; Y311-V466 HydrophobicContact CE2-CG2 4.48Å
312	E	90.9	Very high	90.7	Very high	96 Å²	96	48.8 Å²	48.8	45%	0.449	26%	0.26	S	S	.	.			trans	-111.4	157.3	171.8	-64.9	-171.4	169.2	0	0	111.3	G314 D315 R510	E312-G314 PolarHBondContact O-N 3.44Å; E312-D315 PolarHBondContact N-OD2 3.3Å; E312-D315 VanDerWaalsContact O-CB 3.3Å; E312-D315 WeakPolarHBondContact O-CB 3.16Å; E312-D315 PolarHBondContact O-N 3.38Å; E312-D315 VanDerWaalsContact O-N 3.13Å; E312-R510 IonicContact OE2-CZ 3.69Å; E312-R510 IonicContact OE2-NE 3.61Å; E312-R510 IonicContact OE2-NH2 3.91Å; E312-R510 PolarHBondContact OE2-NH2 3.09Å
313	A	88	Confident	90.8	Very high	70 Å²	70	48.8 Å²	48.8	58%	0.579	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	130.5	170.1	0	0	0	0	0	109.6
314	G	84.7	Confident	91	Very high	54 Å²	54	49.9 Å²	49.9	56%	0.557	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.1	-9	-172	0	0	0	0	0	114.3	E312	E312-G314 PolarHBondContact O-N 3.44Å
315	D	88.7	Confident	91.2	Very high	4 Å²	4	52.4 Å²	52.4	2%	0.021	28%	0.282	C	S	.	.			trans	-70.8	167.2	171.7	-78.6	-15.2	0	0	0	112.4	E312 I455 W507 R510	E312-D315 PolarHBondContact N-OD2 3.3Å; E312-D315 VanDerWaalsContact O-CB 3.3Å; E312-D315 WeakPolarHBondContact O-CB 3.16Å; E312-D315 PolarHBondContact O-N 3.38Å; E312-D315 VanDerWaalsContact O-N 3.13Å; D315-I455 HydrophobicContact CB-CD1 3.8Å; D315-I455 WeakPolarHBondContact O-CB 3.42Å; D315-I455 WeakPolarHBondContact O-CG1 3.43Å; D315-I455 PolarHBondContact O-N 2.94Å; D315-W507 PolarHBondContact OD2-NE1 3.37Å; D315-R510 PolarHBondContact OD1-N 2.86Å; D315-R510 VanDerWaalsContact OD1-N 3.16Å
316	H	88.6	Confident	91.4	Very high	21 Å²	21	53.8 Å²	53.8	10%	0.097	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.9	176.7	-64	86.1	0	0	0	111.3	Y452 Y453 S454	H316-Y452 HydrophobicContact CB-CD1 4.2Å; H316-Y453 CarbonylContact C-O 3.57Å; H316-Y453 VanDerWaalsContact CA-O 3.29Å; H316-Y453 WeakPolarHBondContact CA-O 3.34Å; H316-S454 PolarHBondContact NE2-OG 2.99Å
317	L	91.6	Very high	91.9	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.026	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	120.2	169.8	-170.2	71.9	0	0	0	109.2	F302 V319 Y452 Y453 I455 V466 I468 V505	F302-L317 HydrophobicContact CD2-CD2 3.45Å; F302-L317 VanDerWaalsContact CD2-CD2 3.45Å; F302-L317 HydrophobicContact CE2-CD2 3.4Å; F302-L317 HydrophobicContact CG-CD2 4.47Å; F302-L317 HydrophobicContact CZ-CD2 4.4Å; L317-V319 HydrophobicContact CD2-CG2 4.37Å; L317-Y452 WeakPolarHBondContact O-CA 3.15Å; L317-Y453 PolarHBondContact N-O 2.87Å; L317-Y453 PolarHBondContact O-N 2.86Å; L317-I455 HydrophobicContact CB-CD1 4.5Å; L317-I455 HydrophobicContact CB-CG1 4.05Å; L317-V466 HydrophobicContact CD1-CG1 4.07Å; L317-V466 HydrophobicContact CD1-CG2 4.38Å; L317-V466 HydrophobicContact CD2-CG1 4.21Å; L317-I468 HydrophobicContact CB-CG2 3.87Å; L317-I468 HydrophobicContact CD2-CG2 3.64Å; L317-I468 HydrophobicContact CG-CG2 4.4Å; L317-V505 HydrophobicContact CD1-CB 3.93Å; L317-V505 HydrophobicContact CD1-CG1 4.47Å; L317-V505 HydrophobicContact CD1-CG2 4.25Å; L317-V505 HydrophobicContact CD2-CG1 4.17Å; L317-V505 HydrophobicContact CG-CB 4.25Å; L317-V505 HydrophobicContact CG-CG1 4.4Å
318	A	92	Very high	92.3	Very high	2 Å²	2	52.2 Å²	52.2	2%	0.017	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	120.8	173.9	0	0	0	0	0	109.2	P450 Y452 V505 G506	A318-P450 HydrophobicContact CB-CB 4.23Å; A318-Y452 HydrophobicContact CB-CD1 3.79Å; A318-Y452 HydrophobicContact CB-CE1 3.51Å; A318-V505 CarbonylContact O-C 3.55Å; A318-V505 VanDerWaalsContact O-CA 3.22Å; A318-V505 WeakPolarHBondContact O-CA 3.32Å; A318-G506 WeakPolarHBondContact CB-O 3.45Å; A318-G506 PolarHBondContact N-O 3.38Å; A318-G506 PolarHBondContact O-N 3.38Å
319	V	92.9	Very high	92.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	123.2	176	176.4	0	0	0	0	108.6	L317 P321 P450 R451 Y453 I468 Y490 L491 V505	L317-V319 HydrophobicContact CD2-CG2 4.37Å; V319-P321 VanDerWaalsContact O-CD 3.27Å; V319-P321 WeakPolarHBondContact O-CD 3.4Å; V319-P450 CarbonylContact O-C 3.56Å; V319-P450 WeakPolarHBondContact O-CA 3.22Å; V319-R451 PolarHBondContact N-O 2.88Å; V319-R451 PolarHBondContact O-N 3.45Å; V319-Y453 HydrophobicContact CB-CD2 4.26Å; V319-Y453 HydrophobicContact CB-CE2 4.04Å; V319-Y453 HydrophobicContact CG2-CD2 3.79Å; V319-Y453 HydrophobicContact CG2-CE2 3.96Å; V319-I468 HydrophobicContact CG2-CD1 4.28Å; V319-Y490 HydrophobicContact CG1-CE1 4.5Å; V319-L491 HydrophobicContact CG1-CD1 4.24Å; V319-L491 HydrophobicContact CG1-CD2 3.89Å; V319-L491 HydrophobicContact CG1-CG 4.12Å; V319-L491 HydrophobicContact CG2-CD1 4.45Å; V319-V505 HydrophobicContact CG2-CG1 4.48Å
320	Y	93.4	Very high	93.2	Very high	26 Å²	26	47.3 Å²	47.3	10%	0.102	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	110.8	174.5	-65.6	-103.7	0	0	0	109	V260 H275 P278 P450 K504	V260-Y320 HydrophobicContact CG1-CE1 4.35Å; V260-Y320 HydrophobicContact CG2-CD1 3.85Å; V260-Y320 HydrophobicContact CG2-CE1 3.74Å; H275-Y320 WeakPolarHBondContact CA-OH 3.47Å; H275-Y320 PolarHBondContact O-OH 3.1Å; P278-Y320 HydrophobicContact CB-CD2 4.02Å; P278-Y320 HydrophobicContact CB-CE2 3.79Å; P278-Y320 HydrophobicContact CG-CD2 4.29Å; P278-Y320 HydrophobicContact CG-CE2 4.22Å; Y320-P450 HydrophobicContact CD1-CB 4.07Å; Y320-P450 HydrophobicContact CD2-CB 4.26Å; Y320-P450 HydrophobicContact CE1-CB 3.94Å; Y320-P450 HydrophobicContact CE1-CG 4.08Å; Y320-P450 HydrophobicContact CE2-CB 4.09Å; Y320-P450 HydrophobicContact CG-CB 4.22Å; Y320-K504 HydrophobicContact CD2-CB 4.26Å; Y320-K504 HydrophobicContact CG-CB 4.4Å; Y320-K504 PolarHBondContact N-O 2.84Å
321	P	94.6	Very high	93.6	Very high	8 Å²	8	37 Å²	37	5%	0.052	21%	0.206	C	C	.	.			trans	-82.3	174.1	-172.7	37.3	-37.2	0	0	0	111.9	V319 L448 Q449 V486 A487 Y490	V319-P321 VanDerWaalsContact O-CD 3.27Å; V319-P321 WeakPolarHBondContact O-CD 3.4Å; P321-L448 HydrophobicContact CG-CD1 4.16Å; P321-L448 HydrophobicContact CG-CD2 4.13Å; P321-L448 HydrophobicContact CG-CG 4.06Å; P321-Q449 WeakPolarHBondContact CD-O 3.06Å; P321-V486 HydrophobicContact CB-CG1 4.09Å; P321-V486 HydrophobicContact CG-CG1 4.29Å; P321-A487 HydrophobicContact CB-CB 3.79Å; P321-A487 HydrophobicContact CG-CB 4.32Å; P321-Y490 HydrophobicContact CB-CD1 4.29Å
322	R	94.6	Very high	93.9	Very high	74 Å²	74	37.7 Å²	37.7	28%	0.279	21%	0.213	S	C	.	.			trans	-122.5	137.6	168	-172.3	-176.8	68.1	173.1	-3	108.8	S369 F370 Y490	R322-S369 CarbonylContact C-O 3.52Å; R322-S369 WeakPolarHBondContact CA-O 3.27Å; R322-S369 WeakPolarHBondContact CG-O 3.35Å; R322-F370 HydrophobicContact CB-CD1 4.1Å; R322-F370 HydrophobicContact CB-CE1 3.79Å; R322-F370 VanDerWaalsContact CD-CE1 3.49Å; R322-F370 HydrophobicContact CG-CD1 3.86Å; R322-F370 HydrophobicContact CG-CE1 3.46Å; R322-F370 VanDerWaalsContact CG-CE1 3.46Å; R322-F370 HydrophobicContact CG-CZ 3.96Å; R322-Y490 HydrophobicContact CB-CD2 3.82Å; R322-Y490 HydrophobicContact CB-CE2 3.99Å; R322-Y490 HydrophobicContact CB-CG 4.36Å
323	N	97.4	Very high	94.2	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	22%	0.222	C	C	.	.			trans	-59.7	152.2	171.3	-74.9	-45.9	0	0	0	111.7	P325 V328 L368 S369 V372 I374	N323-P325 WeakPolarHBondContact O-CD 3.48Å; N323-V328 HydrophobicContact CB-CG2 4.1Å; N323-L368 PolarHBondContact ND2-O 2.85Å; N323-S369 PolarHBondContact N-O 3.43Å; N323-V372 PolarHBondContact ND2-O 3.18Å; N323-I374 HydrophobicContact CB-CD1 3.81Å; N323-I374 HydrophobicContact CB-CG1 4.24Å
324	D	96.3	Very high	94.6	Very high	41 Å²	41	37.6 Å²	37.6	22%	0.219	20%	0.201	C	C	.	.			trans	-61	120.9	177.3	-173.2	-26.5	0	0	0	109	L326 L327 V328 K484	D324-L326 PolarHBondContact O-N 2.71Å; D324-L326 VanDerWaalsContact O-N 3.08Å; D324-L326 WeakPolarHBondContact OD1-CB 3.46Å; D324-L326 PolarHBondContact OD1-N 3.41Å; D324-L327 HydrophobicContact CB-CB 4.4Å; D324-L327 HydrophobicContact CB-CD1 4.12Å; D324-L327 HydrophobicContact CB-CG 4.05Å; D324-L327 WeakPolarHBondContact O-CA 3.32Å; D324-L327 WeakPolarHBondContact O-CB 3.13Å; D324-L327 PolarHBondContact O-N 2.49Å; D324-V328 PolarHBondContact O-N 2.84Å; D324-V328 VanDerWaalsContact O-N 3.11Å; D324-K484 IonicContact OD2-NZ 3.17Å; D324-K484 PolarHBondContact OD2-NZ 2.9Å
325	P	96	Very high	95.3	Very high	62 Å²	62	36.5 Å²	36.5	40%	0.403	18%	0.182	S	C	.	.	H	α-helix	trans	-54	-30.1	179.7	-27.8	35.9	0	0	0	113.7	N323 L327 V328 E329	N323-P325 WeakPolarHBondContact O-CD 3.48Å; P325-L327 VanDerWaalsContact C-N 3.33Å; P325-V328 PolarHBondContact O-N 2.97Å; P325-E329 WeakPolarHBondContact O-CB 3.26Å; P325-E329 PolarHBondContact O-N 2.73Å
326	L	96.5	Very high	95.6	Very high	119 Å²	119	39.8 Å²	39.8	62%	0.623	22%	0.217	S	C	*	.	H	α-helix	trans	-68.7	-31.8	176.5	-63	177.3	0	0	0	112.5	D324 K330	D324-L326 PolarHBondContact O-N 2.71Å; D324-L326 VanDerWaalsContact O-N 3.08Å; D324-L326 WeakPolarHBondContact OD1-CB 3.46Å; D324-L326 PolarHBondContact OD1-N 3.41Å; L326-K330 WeakPolarHBondContact O-CG 3.48Å; L326-K330 PolarHBondContact O-N 3.04Å
327	L	97.3	Very high	95.9	Very high	37 Å²	37	40.8 Å²	40.8	19%	0.194	22%	0.222	C	C	.	.	H	α-helix	trans	-74.7	-38.6	173.4	-64.9	-180	0	0	0	110.9	D324 P325 E329 K330 I374 T375 L425	D324-L327 HydrophobicContact CB-CB 4.4Å; D324-L327 HydrophobicContact CB-CD1 4.12Å; D324-L327 HydrophobicContact CB-CG 4.05Å; D324-L327 WeakPolarHBondContact O-CA 3.32Å; D324-L327 WeakPolarHBondContact O-CB 3.13Å; D324-L327 PolarHBondContact O-N 2.49Å; P325-L327 VanDerWaalsContact C-N 3.33Å; L327-E329 VanDerWaalsContact C-N 3.33Å; L327-E329 PolarHBondContact O-N 3.36Å; L327-K330 HydrophobicContact CD2-CD 4.32Å; L327-K330 WeakPolarHBondContact O-CB 3.21Å; L327-K330 PolarHBondContact O-N 3.2Å; L327-I374 HydrophobicContact CB-CD1 3.95Å; L327-T375 HydrophobicContact CD1-CG2 3.92Å; L327-L425 HydrophobicContact CB-CD1 3.99Å; L327-L425 HydrophobicContact CD2-CD1 4.1Å; L327-L425 WeakPolarHBondContact O-CD1 3.4Å
328	V	98.1	Very high	96.2	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-59.2	-46	174.6	175.2	0	0	0	0	110.4	N323 D324 P325 K330 F331 L339 R365 L368 I374	N323-V328 HydrophobicContact CB-CG2 4.1Å; D324-V328 PolarHBondContact O-N 2.84Å; D324-V328 VanDerWaalsContact O-N 3.11Å; P325-V328 PolarHBondContact O-N 2.97Å; V328-K330 VanDerWaalsContact C-N 3.26Å; V328-K330 PolarHBondContact O-N 2.72Å; V328-F331 WeakPolarHBondContact O-CB 3.48Å; V328-F331 PolarHBondContact O-N 3.03Å; V328-F331 VanDerWaalsContact O-N 3.11Å; V328-L339 HydrophobicContact CG1-CD1 4.06Å; V328-R365 HydrophobicContact CG1-CG 4.21Å; V328-L368 HydrophobicContact CB-CB 4.48Å; V328-L368 HydrophobicContact CG1-CB 3.82Å; V328-L368 HydrophobicContact CG1-CD1 4.15Å; V328-L368 HydrophobicContact CG2-CB 4.13Å; V328-I374 HydrophobicContact CG2-CD1 4.2Å
329	E	98.2	Very high	96.5	Very high	62 Å²	62	44.7 Å²	44.7	29%	0.29	24%	0.243	S	C	.	.	H	α-helix	trans	-65.1	-26.6	-179.9	-161.7	57.3	-137.1	0	0	113.3	P325 L327 F331 S332 Q333 R365	P325-E329 WeakPolarHBondContact O-CB 3.26Å; P325-E329 PolarHBondContact O-N 2.73Å; L327-E329 VanDerWaalsContact C-N 3.33Å; L327-E329 PolarHBondContact O-N 3.36Å; E329-F331 PolarHBondContact O-N 3.26Å; E329-S332 VanDerWaalsContact O-CB 3.26Å; E329-S332 WeakPolarHBondContact O-CB 3.29Å; E329-S332 PolarHBondContact O-N 3.48Å; E329-S332 VanDerWaalsContact O-N 3.12Å; E329-S332 WeakPolarHBondContact OE1-CB 3.16Å; E329-Q333 PolarHBondContact O-N 3.47Å; E329-R365 IonicContact OE2-CZ 3.98Å; E329-R365 IonicContact OE2-NH1 2.8Å; E329-R365 PolarHBondContact OE2-NH1 2.95Å; E329-R365 IonicContact OE2-NH2 3.99Å
330	K	97.7	Very high	96.7	Very high	79 Å²	79	48.9 Å²	48.9	34%	0.343	27%	0.266	S	S	.	.	H	α-helix	trans	-63	-27.6	174.3	-75.1	178.2	179.4	-172.2	0	113	L326 L327 V328 S332 Q333 L334 L425	L326-K330 WeakPolarHBondContact O-CG 3.48Å; L326-K330 PolarHBondContact O-N 3.04Å; L327-K330 HydrophobicContact CD2-CD 4.32Å; L327-K330 WeakPolarHBondContact O-CB 3.21Å; L327-K330 PolarHBondContact O-N 3.2Å; V328-K330 VanDerWaalsContact C-N 3.26Å; V328-K330 PolarHBondContact O-N 2.72Å; K330-S332 VanDerWaalsContact C-N 3.35Å; K330-Q333 PolarHBondContact O-N 3.05Å; K330-L334 VanDerWaalsContact O-CB 3.31Å; K330-L334 WeakPolarHBondContact O-CB 3.44Å; K330-L334 VanDerWaalsContact O-CG 3.28Å; K330-L334 WeakPolarHBondContact O-CG 3.43Å; K330-L334 PolarHBondContact O-N 3.32Å; K330-L425 HydrophobicContact CB-CD1 4.36Å; K330-L425 HydrophobicContact CB-CD2 3.89Å
331	F	98.1	Very high	96.9	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	27%	0.274	C	S	.	.	H	α-helix	trans	-65	-40	173.6	-77.7	-91.2	0	0	0	111.7	V328 E329 Q333 L334 L335 L368 I374 I424 L425 M428 L438 L441	V328-F331 WeakPolarHBondContact O-CB 3.48Å; V328-F331 PolarHBondContact O-N 3.03Å; V328-F331 VanDerWaalsContact O-N 3.11Å; E329-F331 PolarHBondContact O-N 3.26Å; F331-Q333 PolarHBondContact O-N 3.34Å; F331-L334 PolarHBondContact O-N 3.1Å; F331-L335 HydrophobicContact CD1-CD1 4.08Å; F331-L335 WeakPolarHBondContact O-CB 3.43Å; F331-L335 PolarHBondContact O-N 2.8Å; F331-L368 HydrophobicContact CB-CD1 3.79Å; F331-L368 HydrophobicContact CD1-CD2 4.3Å; F331-L368 HydrophobicContact CD2-CD1 3.97Å; F331-L368 HydrophobicContact CD2-CD2 3.94Å; F331-L368 HydrophobicContact CE1-CD2 4.23Å; F331-L368 HydrophobicContact CE2-CD2 3.88Å; F331-L368 HydrophobicContact CG-CD1 3.86Å; F331-L368 HydrophobicContact CG-CD2 4.15Å; F331-L368 HydrophobicContact CZ-CD2 4.02Å; F331-I374 HydrophobicContact CE2-CB 3.93Å; F331-I374 HydrophobicContact CE2-CD1 3.98Å; F331-I374 HydrophobicContact CE2-CG2 3.9Å; F331-I374 HydrophobicContact CZ-CB 4.06Å; F331-I374 HydrophobicContact CZ-CG2 3.91Å; F331-I424 HydrophobicContact CE1-CG2 4.34Å; F331-I424 HydrophobicContact CZ-CG2 3.84Å; F331-L425 HydrophobicContact CD1-CD2 4.27Å; F331-L425 HydrophobicContact CD2-CD1 4.26Å; F331-L425 HydrophobicContact CD2-CD2 3.66Å; F331-L425 HydrophobicContact CD2-CG 4.17Å; F331-L425 HydrophobicContact CE1-CD2 4.2Å; F331-L425 HydrophobicContact CE2-CD1 3.75Å; F331-L425 HydrophobicContact CE2-CD2 3.56Å; F331-L425 HydrophobicContact CE2-CG 3.57Å; F331-L425 HydrophobicContact CG-CD2 4.03Å; F331-L425 HydrophobicContact CZ-CD1 4.44Å; F331-L425 HydrophobicContact CZ-CD2 3.86Å; F331-L425 HydrophobicContact CZ-CG 3.81Å; F331-M428 HydrophobicContact CD1-CE 3.94Å; F331-M428 HydrophobicContact CE1-CE 3.71Å; F331-M428 HydrophobicContact CZ-CE 4.45Å; F331-L438 HydrophobicContact CD1-CD1 3.78Å; F331-L438 HydrophobicContact CE1-CD1 4.26Å; F331-L438 HydrophobicContact CG-CD1 4.46Å; F331-L441 HydrophobicContact CD1-CD1 4.34Å; F331-L441 HydrophobicContact CE1-CD1 3.79Å
332	S	97.2	Very high	97	Very high	29 Å²	29	50.5 Å²	50.5	20%	0.203	28%	0.28	C	S	.	.	H	α-helix	trans	-56.9	-50.8	172.7	-178.1	0	0	0	0	110.7	E329 K330 L334 L335 G336 I337	E329-S332 VanDerWaalsContact O-CB 3.26Å; E329-S332 WeakPolarHBondContact O-CB 3.29Å; E329-S332 PolarHBondContact O-N 3.48Å; E329-S332 VanDerWaalsContact O-N 3.12Å; E329-S332 WeakPolarHBondContact OE1-CB 3.16Å; K330-S332 VanDerWaalsContact C-N 3.35Å; S332-L334 VanDerWaalsContact C-N 3.35Å; S332-L334 PolarHBondContact O-N 3.28Å; S332-L335 PolarHBondContact O-N 3.24Å; S332-G336 WeakPolarHBondContact O-CA 3.41Å; S332-G336 PolarHBondContact O-N 3.16Å; S332-I337 PolarHBondContact OG-O 2.84Å
333	Q	96.8	Very high	97.2	Very high	138 Å²	138	47 Å²	47	65%	0.645	27%	0.266	S	S	*	.	H	α-helix	trans	-63.7	-38	-178.3	-62.7	170.5	11.9	0	0	112.8	E329 K330 F331	E329-Q333 PolarHBondContact O-N 3.47Å; K330-Q333 PolarHBondContact O-N 3.05Å; F331-Q333 PolarHBondContact O-N 3.34Å
334	L	97.1	Very high	97.2	Very high	26 Å²	26	47.3 Å²	47.3	14%	0.136	27%	0.269	C	S	.	.	H	α-helix	trans	-88.7	-17.5	-178	-67.7	170	0	0	0	113.8	K330 F331 S332 L425 M428 I429 R435	K330-L334 VanDerWaalsContact O-CB 3.31Å; K330-L334 WeakPolarHBondContact O-CB 3.44Å; K330-L334 VanDerWaalsContact O-CG 3.28Å; K330-L334 WeakPolarHBondContact O-CG 3.43Å; K330-L334 PolarHBondContact O-N 3.32Å; F331-L334 PolarHBondContact O-N 3.1Å; S332-L334 VanDerWaalsContact C-N 3.35Å; S332-L334 PolarHBondContact O-N 3.28Å; L334-L425 HydrophobicContact CD1-CD2 3.8Å; L334-M428 HydrophobicContact CD1-CB 4.1Å; L334-M428 HydrophobicContact CD1-CE 4.34Å; L334-I429 HydrophobicContact CD1-CD1 4.5Å; L334-I429 HydrophobicContact CD1-CG1 3.86Å; L334-I429 HydrophobicContact CD2-CG1 4.31Å; L334-R435 VanDerWaalsContact C-NH1 3.26Å; L334-R435 WeakPolarHBondContact O-CD 3.39Å; L334-R435 PolarHBondContact O-NE 3.12Å; L334-R435 PolarHBondContact O-NH1 2.91Å
335	L	97.3	Very high	97.3	Very high	30 Å²	30	45.3 Å²	45.3	16%	0.157	26%	0.259	C	S	.	.	H	α-helix	trans	-117.7	-10.1	-179.3	-60.8	176.9	0	0	0	113	F331 S332 I337 M428 R435 P436 L438 L441	F331-L335 HydrophobicContact CD1-CD1 4.08Å; F331-L335 WeakPolarHBondContact O-CB 3.43Å; F331-L335 PolarHBondContact O-N 2.8Å; S332-L335 PolarHBondContact O-N 3.24Å; L335-I337 VanDerWaalsContact C-N 3.32Å; L335-I337 HydrophobicContact CB-CD1 3.75Å; L335-I337 HydrophobicContact CB-CG1 4.05Å; L335-I337 HydrophobicContact CD1-CD1 4.35Å; L335-M428 HydrophobicContact CD2-SD 3.93Å; L335-M428 HydrophobicContact CG-SD 4.43Å; L335-R435 HydrophobicContact CD2-CB 4.37Å; L335-P436 WeakPolarHBondContact CD2-O 3.45Å; L335-L438 HydrophobicContact CD1-CB 3.89Å; L335-L438 HydrophobicContact CD1-CD1 4.09Å; L335-L438 HydrophobicContact CD1-CG 4.47Å; L335-L441 HydrophobicContact CD1-CD1 4.35Å
336	G	96	Very high	97.3	Very high	73 Å²	73	45.1 Å²	45.1	75%	0.753	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	34	-178.4	0	0	0	0	0	112.7	S332	S332-G336 WeakPolarHBondContact O-CA 3.41Å; S332-G336 PolarHBondContact O-N 3.16Å
337	I	95.6	Very high	97.1	Very high	42 Å²	42	40.6 Å²	40.6	22%	0.215	24%	0.235	C	C	.	.			trans	-112.1	136.7	-174.8	-64.8	169.4	0	0	0	109.6	S332 L335 L339 Y364 L438	S332-I337 PolarHBondContact OG-O 2.84Å; L335-I337 VanDerWaalsContact C-N 3.32Å; L335-I337 HydrophobicContact CB-CD1 3.75Å; L335-I337 HydrophobicContact CB-CG1 4.05Å; L335-I337 HydrophobicContact CD1-CD1 4.35Å; I337-L339 PolarHBondContact O-N 2.88Å; I337-Y364 HydrophobicContact CG2-CD2 3.76Å; I337-Y364 HydrophobicContact CG2-CE2 3.78Å; I337-Y364 HydrophobicContact CG2-CG 4.44Å; I337-L438 HydrophobicContact CD1-CB 3.51Å; I337-L438 HydrophobicContact CD1-CD2 4.33Å; I337-L438 HydrophobicContact CG2-CD2 4.4Å
338	D	97.5	Very high	96.8	Very high	88 Å²	88	43.9 Å²	43.9	47%	0.471	25%	0.251	S	S	.	.			trans	-70	115.8	167.7	169.3	31.9	0	0	0	110.5	D340 S341	D338-D340 PolarHBondContact O-N 3.47Å; D338-D340 PolarHBondContact OD1-N 3.49Å; D338-S341 WeakPolarHBondContact O-CB 3.35Å; D338-S341 PolarHBondContact O-N 2.89Å; D338-S341 PolarHBondContact O-OG 3.26Å; D338-S341 PolarHBondContact OD2-N 2.85Å; D338-S341 PolarHBondContact OD2-OG 3.13Å
339	L	97.8	Very high	96.1	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.5	-178.2	-67.3	177.8	0	0	0	113.1	V328 I337 S341 S363 Y364 R365 L368 L438	V328-L339 HydrophobicContact CG1-CD1 4.06Å; I337-L339 PolarHBondContact O-N 2.88Å; L339-S341 VanDerWaalsContact C-N 3.35Å; L339-S363 WeakPolarHBondContact O-CB 3.41Å; L339-Y364 PolarHBondContact O-N 2.83Å; L339-R365 HydrophobicContact CB-CB 3.99Å; L339-R365 WeakPolarHBondContact O-CB 3.48Å; L339-R365 PolarHBondContact O-N 2.97Å; L339-L368 HydrophobicContact CD2-CD1 3.74Å; L339-L438 HydrophobicContact CD2-CD2 4.23Å
340	D	97.1	Very high	95.5	Very high	88 Å²	88	47.2 Å²	47.2	47%	0.471	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-5.9	-179.8	-62.9	-51.2	0	0	0	112.6	D338 V342 R365	D338-D340 PolarHBondContact O-N 3.47Å; D338-D340 PolarHBondContact OD1-N 3.49Å; D340-V342 PolarHBondContact O-N 3.17Å; D340-R365 IonicContact OD1-CZ 2.8Å; D340-R365 IonicContact OD1-NE 3.38Å; D340-R365 PolarHBondContact OD1-NE 3.23Å; D340-R365 IonicContact OD1-NH2 2.95Å; D340-R365 IonicContact OD2-CZ 2.69Å; D340-R365 IonicContact OD2-NE 3.64Å; D340-R365 IonicContact OD2-NH2 3.47Å; D340-R365 PolarHBondContact OD2-NH2 3.19Å
341	S	97.3	Very high	94.8	Very high	38 Å²	38	46.4 Å²	46.4	27%	0.266	28%	0.275	S	S	.	.			trans	-57.9	130.3	169.3	-69	0	0	0	0	111.6	D338 L339 S363 Y364	D338-S341 WeakPolarHBondContact O-CB 3.35Å; D338-S341 PolarHBondContact O-N 2.89Å; D338-S341 PolarHBondContact O-OG 3.26Å; D338-S341 PolarHBondContact OD2-N 2.85Å; D338-S341 PolarHBondContact OD2-OG 3.13Å; L339-S341 VanDerWaalsContact C-N 3.35Å; S341-S363 VanDerWaalsContact O-CA 3.31Å; S341-S363 WeakPolarHBondContact O-CA 3.23Å; S341-Y364 PolarHBondContact O-N 3.41Å
342	V	98	Very high	94.1	Very high	30 Å²	30	46.8 Å²	46.8	18%	0.182	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	129.7	-175.6	-179.1	0	0	0	0	110.3	F247 L255 D340 P361	F247-V342 HydrophobicContact CB-CB 4.29Å; F247-V342 HydrophobicContact CB-CG1 4.27Å; F247-V342 HydrophobicContact CD2-CG1 3.83Å; F247-V342 HydrophobicContact CG-CG1 4.4Å; F247-V342 PolarHBondContact N-O 3.36Å; L255-V342 HydrophobicContact CD1-CG1 4.19Å; L255-V342 HydrophobicContact CD1-CG2 3.72Å; L255-V342 HydrophobicContact CD2-CG1 3.44Å; L255-V342 VanDerWaalsContact CD2-CG1 3.44Å; L255-V342 HydrophobicContact CD2-CG2 4.46Å; L255-V342 HydrophobicContact CG-CG1 4.47Å; D340-V342 PolarHBondContact O-N 3.17Å; V342-P361 HydrophobicContact CG1-CB 4.44Å
343	I	97.9	Very high	93.3	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	157.2	-177.3	62.2	150.3	0	0	0	113.1	L244 T245 V246 L345 P361 C362 Y364 L442	L244-I343 HydrophobicContact CD1-CB 3.88Å; L244-I343 HydrophobicContact CD1-CD1 4.33Å; L244-I343 HydrophobicContact CD1-CG2 3.89Å; T245-I343 CarbonylContact O-C 3.49Å; T245-I343 VanDerWaalsContact O-CA 3.26Å; T245-I343 WeakPolarHBondContact O-CA 3.24Å; V246-I343 HydrophobicContact CG2-CG2 4.17Å; I343-L345 HydrophobicContact CD1-CG 4.5Å; I343-P361 CarbonylContact O-C 3.58Å; I343-P361 VanDerWaalsContact O-CA 3.23Å; I343-P361 WeakPolarHBondContact O-CA 3.47Å; I343-C362 WeakPolarHBondContact CG1-O 3.19Å; I343-C362 PolarHBondContact N-O 3.25Å; I343-C362 PolarHBondContact O-N 2.98Å; I343-C362 VanDerWaalsContact O-O 3.09Å; I343-Y364 HydrophobicContact CD1-CD1 3.69Å; I343-Y364 HydrophobicContact CD1-CE1 3.47Å; I343-Y364 VanDerWaalsContact CD1-CE1 3.47Å; I343-Y364 HydrophobicContact CD1-CG 4.46Å; I343-Y364 HydrophobicContact CG1-CD1 4.25Å; I343-Y364 HydrophobicContact CG1-CE1 4.21Å; I343-Y364 HydrophobicContact CG2-CD2 4.12Å; I343-Y364 HydrophobicContact CG2-CE1 4.13Å; I343-Y364 HydrophobicContact CG2-CE2 3.54Å; I343-L442 HydrophobicContact CD1-CD1 3.93Å
344	A	97.9	Very high	92.8	Very high	7 Å²	7	46 Å²	46	6%	0.058	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.7	161.6	0	0	0	0	0	110.4	T245 F247 P361	T245-A344 PolarHBondContact N-O 3.39Å; T245-A344 PolarHBondContact O-N 3.19Å; F247-A344 HydrophobicContact CE2-CB 3.66Å; F247-A344 HydrophobicContact CZ-CB 4.05Å; A344-P361 HydrophobicContact CB-CB 4.28Å
345	L	97.5	Very high	92.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	109.4	171.7	-65.6	-173.3	0	0	0	108.5	Y242 L244 I343 T356 P357 F358 C360 D439 L442	Y242-L345 HydrophobicContact CG-CB 4.38Å; L244-L345 HydrophobicContact CB-CD2 4.04Å; L244-L345 HydrophobicContact CD1-CD2 3.75Å; I343-L345 HydrophobicContact CD1-CG 4.5Å; L345-T356 WeakPolarHBondContact O-CA 3.43Å; L345-T356 WeakPolarHBondContact O-CB 3.31Å; L345-T356 WeakPolarHBondContact O-CG2 3.34Å; L345-P357 HydrophobicContact CB-CG 3.76Å; L345-P357 HydrophobicContact CD1-CG 3.77Å; L345-P357 HydrophobicContact CG-CG 4.4Å; L345-P357 WeakPolarHBondContact O-CD 3.3Å; L345-F358 HydrophobicContact CD1-CE1 3.91Å; L345-F358 HydrophobicContact CD1-CZ 3.91Å; L345-F358 HydrophobicContact CG-CZ 4.4Å; L345-C360 PolarHBondContact N-SG 3.46Å; L345-C360 VanDerWaalsContact N-SG 3.38Å; L345-D439 HydrophobicContact CD2-CB 4Å; L345-L442 HydrophobicContact CD1-CB 4.21Å
346	T	95.7	Very high	92.3	Very high	58 Å²	58	51.4 Å²	51.4	36%	0.356	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	134.3	-175.2	53.5	0	0	0	0	110.8	Y242 K243 I348 R355	Y242-T346 CarbonylContact C-O 3.57Å; Y242-T346 VanDerWaalsContact CA-O 3.24Å; Y242-T346 WeakPolarHBondContact CA-O 3.35Å; K243-T346 PolarHBondContact N-O 2.83Å; K243-T346 PolarHBondContact O-N 2.83Å; K243-T346 PolarHBondContact O-OG1 2.86Å; T346-I348 PolarHBondContact O-N 3.25Å; T346-R355 CarbonylContact C-O 3.53Å; T346-R355 WeakPolarHBondContact CA-O 3.5Å
347	S	92.2	Very high	92.1	Very high	24 Å²	24	48.4 Å²	48.4	17%	0.168	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	135.3	-175.3	-174.7	0	0	0	0	110.7	E241 D349 S352 R355	E241-S347 WeakPolarHBondContact O-CA 3.27Å; S347-D349 PolarHBondContact O-N 3.38Å; S347-D349 PolarHBondContact OG-N 3.16Å; S347-S352 WeakPolarHBondContact OG-CB 3.4Å; S347-R355 PolarHBondContact N-O 2.96Å
348	I	91.1	Very high	92.1	Very high	106 Å²	106	46.5 Å²	46.5	54%	0.544	25%	0.245	S	C	.	.	S	Bend	trans	-72.4	-20.6	173.3	63.8	162.2	0	0	0	112.2	R240 E241 K243 T346 P350	R240-I348 WeakPolarHBondContact O-CD1 3.18Å; E241-I348 WeakPolarHBondContact O-CG1 3.33Å; E241-I348 PolarHBondContact O-N 2.96Å; K243-I348 HydrophobicContact CB-CG2 4.26Å; T346-I348 PolarHBondContact O-N 3.25Å; I348-P350 WeakPolarHBondContact O-CD 3.37Å
349	D	85	Confident	91.9	Very high	42 Å²	42	42.9 Å²	42.9	23%	0.225	23%	0.226	C	C	.	.			trans	-85.7	111.9	177.2	-173	-9.5	0	0	0	109.5	K75 S347 D351 S352 R355	K75-D349 IonicContact NZ-OD1 2.77Å; K75-D349 IonicContact NZ-OD2 3.54Å; K75-D349 PolarHBondContact NZ-OD2 3.14Å; S347-D349 PolarHBondContact O-N 3.38Å; S347-D349 PolarHBondContact OG-N 3.16Å; D349-D351 PolarHBondContact O-N 2.86Å; D349-D351 VanDerWaalsContact O-N 3.15Å; D349-D351 PolarHBondContact OD1-N 3.04Å; D349-S352 WeakPolarHBondContact O-CB 3.33Å; D349-S352 PolarHBondContact O-N 3.12Å; D349-S352 VanDerWaalsContact O-N 3.13Å; D349-R355 PolarHBondContact O-NH1 3.44Å
350	P	84.2	Confident	91.8	Very high	91 Å²	91	43.4 Å²	43.4	59%	0.591	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-14.4	178.9	29.7	-36.5	0	0	0	113	I348 R355	I348-P350 WeakPolarHBondContact O-CD 3.37Å; P350-R355 PolarHBondContact O-NH1 3.16Å; P350-R355 PolarHBondContact O-NH2 3.16Å
351	D	83.5	Confident	91.8	Very high	62 Å²	62	40.4 Å²	40.4	33%	0.332	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-8.5	177.3	-59.3	-45.7	0	0	0	113.1	S73 I107 D349 R353	S73-D351 WeakPolarHBondContact CB-OD2 3.34Å; I107-D351 WeakPolarHBondContact CD1-O 3.45Å; D349-D351 PolarHBondContact O-N 2.86Å; D349-D351 VanDerWaalsContact O-N 3.15Å; D349-D351 PolarHBondContact OD1-N 3.04Å; D351-R353 PolarHBondContact O-N 2.81Å
352	S	83.7	Confident	91.8	Very high	9 Å²	9	38.6 Å²	38.6	6%	0.063	20%	0.203	C	C	.	.			trans	-64.1	125.6	-180	179	0	0	0	0	111.6	S347 D349 K354 R355	S347-S352 WeakPolarHBondContact OG-CB 3.4Å; D349-S352 WeakPolarHBondContact O-CB 3.33Å; D349-S352 PolarHBondContact O-N 3.12Å; D349-S352 VanDerWaalsContact O-N 3.13Å; S352-K354 PolarHBondContact OG-N 2.82Å; S352-K354 PolarHBondContact OG-O 3.38Å; S352-R355 VanDerWaalsContact O-CD 3.23Å; S352-R355 WeakPolarHBondContact O-CD 3.22Å; S352-R355 PolarHBondContact O-NE 3.43Å; S352-R355 VanDerWaalsContact O-NE 3.1Å; S352-R355 PolarHBondContact O-NH1 2.8Å
353	R	80.7	Confident	91.8	Very high	97 Å²	97	38 Å²	38	37%	0.366	20%	0.199	S	C	.	.	S	Bend	trans	-71.3	-33.1	170.6	-68.5	-152.3	175.6	-150.5	5.5	112.4	L109 E113 F114 D351 R355	L109-R353 HydrophobicContact CD2-CG 4.48Å; E113-R353 WeakPolarHBondContact OE2-CD 3.44Å; E113-R353 IonicContact OE2-NE 2.7Å; E113-R353 IonicContact OE2-NH1 2.78Å; F114-R353 VanDerWaalsContact CE1-NH2 3.28Å; F114-R353 VanDerWaalsContact CZ-CZ 3.42Å; D351-R353 PolarHBondContact O-N 2.81Å; R353-R355 VanDerWaalsContact C-N 3.29Å; R353-R355 PolarHBondContact O-N 2.78Å
354	K	85.2	Confident	91.8	Very high	52 Å²	52	38.7 Å²	38.7	23%	0.226	20%	0.202	C	C	.	.			trans	-79.9	80.5	170.6	-169.1	173.7	-179.5	176.3	0	109.4	E89 F93 S352 T356	E89-K354 IonicContact OE1-NZ 2.88Å; E89-K354 PolarHBondContact OE1-NZ 3.47Å; F93-K354 HydrophobicContact CE1-CB 4.24Å; F93-K354 HydrophobicContact CE1-CD 4.29Å; F93-K354 HydrophobicContact CE2-CD 3.86Å; F93-K354 HydrophobicContact CZ-CB 3.73Å; F93-K354 HydrophobicContact CZ-CD 3.59Å; F93-K354 HydrophobicContact CZ-CG 4.31Å; S352-K354 PolarHBondContact OG-N 2.82Å; S352-K354 PolarHBondContact OG-O 3.38Å; K354-T356 WeakPolarHBondContact CG-O 3.46Å; K354-T356 PolarHBondContact O-N 3.42Å
355	R	90.2	Very high	91.9	Very high	128 Å²	128	41.9 Å²	41.9	48%	0.483	21%	0.213	S	C	.	.			trans	-63.6	-25.8	-178.3	-65.9	-61.7	-175.7	-171	-2.5	113.6	T346 S347 D349 P350 S352 R353	T346-R355 CarbonylContact C-O 3.53Å; T346-R355 WeakPolarHBondContact CA-O 3.5Å; S347-R355 PolarHBondContact N-O 2.96Å; D349-R355 PolarHBondContact O-NH1 3.44Å; P350-R355 PolarHBondContact O-NH1 3.16Å; P350-R355 PolarHBondContact O-NH2 3.16Å; S352-R355 VanDerWaalsContact O-CD 3.23Å; S352-R355 WeakPolarHBondContact O-CD 3.22Å; S352-R355 PolarHBondContact O-NE 3.43Å; S352-R355 VanDerWaalsContact O-NE 3.1Å; S352-R355 PolarHBondContact O-NH1 2.8Å; R353-R355 VanDerWaalsContact C-N 3.29Å; R353-R355 PolarHBondContact O-N 2.78Å
356	T	93.8	Very high	91.9	Very high	43 Å²	43	42.9 Å²	42.9	26%	0.264	22%	0.219	S	C	.	.	S	Bend	trans	-141.8	145.6	-176.5	60.8	0	0	0	0	109.5	L345 K354 F358	L345-T356 WeakPolarHBondContact O-CA 3.43Å; L345-T356 WeakPolarHBondContact O-CB 3.31Å; L345-T356 WeakPolarHBondContact O-CG2 3.34Å; K354-T356 WeakPolarHBondContact CG-O 3.46Å; K354-T356 PolarHBondContact O-N 3.42Å; T356-F358 VanDerWaalsContact C-N 3.26Å; T356-F358 VanDerWaalsContact CB-O 3.27Å; T356-F358 WeakPolarHBondContact CB-O 3.42Å; T356-F358 PolarHBondContact O-N 2.91Å; T356-F358 PolarHBondContact OG1-O 3.01Å; T356-F358 VanDerWaalsContact OG1-O 3.07Å
357	P	92.3	Very high	92	Very high	9 Å²	9	40.1 Å²	40.1	6%	0.058	20%	0.202	C	C	.	.	S	Bend	trans	-68.7	-30.8	-179.8	26	-27.9	0	0	0	111.7	Y242 L345 R447	Y242-P357 HydrophobicContact CD1-CG 4.27Å; Y242-P357 HydrophobicContact CD2-CB 4.37Å; Y242-P357 HydrophobicContact CD2-CG 4.23Å; Y242-P357 HydrophobicContact CE1-CB 4.35Å; Y242-P357 VanDerWaalsContact CE1-CD 3.49Å; Y242-P357 HydrophobicContact CE1-CG 4.3Å; Y242-P357 HydrophobicContact CE2-CB 3.95Å; Y242-P357 HydrophobicContact CE2-CG 4.28Å; Y242-P357 HydrophobicContact CG-CG 4.24Å; L345-P357 HydrophobicContact CB-CG 3.76Å; L345-P357 HydrophobicContact CD1-CG 3.77Å; L345-P357 HydrophobicContact CG-CG 4.4Å; L345-P357 WeakPolarHBondContact O-CD 3.3Å; P357-R447 WeakPolarHBondContact O-CD 3.37Å; P357-R447 PolarHBondContact O-NH1 2.98Å
358	F	94.7	Very high	92.3	Very high	2 Å²	2	39 Å²	39	1%	0.009	19%	0.194	C	C	.	.	S	Bend	trans	-148.1	166.5	173.3	51.6	-94.7	0	0	0	109.4	L345 T356 C360 A367 Y371 V372 L442	L345-F358 HydrophobicContact CD1-CE1 3.91Å; L345-F358 HydrophobicContact CD1-CZ 3.91Å; L345-F358 HydrophobicContact CG-CZ 4.4Å; T356-F358 VanDerWaalsContact C-N 3.26Å; T356-F358 VanDerWaalsContact CB-O 3.27Å; T356-F358 WeakPolarHBondContact CB-O 3.42Å; T356-F358 PolarHBondContact O-N 2.91Å; T356-F358 PolarHBondContact OG1-O 3.01Å; T356-F358 VanDerWaalsContact OG1-O 3.07Å; F358-C360 HydrophobicContact CD2-CB 4.28Å; F358-C360 HydrophobicContact CE2-CB 4.01Å; F358-C360 PolarHBondContact O-N 3.34Å; F358-C360 VanDerWaalsContact O-N 3.09Å; F358-C360 PolarHBondContact O-SG 3.01Å; F358-A367 HydrophobicContact CD2-CB 4.34Å; F358-A367 HydrophobicContact CE2-CB 3.69Å; F358-A367 HydrophobicContact CZ-CB 3.85Å; F358-Y371 HydrophobicContact CB-CD2 4.09Å; F358-Y371 HydrophobicContact CB-CG 3.89Å; F358-Y371 AromaticContact CD2-CD2 3.52Å; F358-Y371 HydrophobicContact CD2-CD2 3.52Å; F358-Y371 HydrophobicContact CD2-CE2 4.28Å; F358-Y371 HydrophobicContact CD2-CG 4.16Å; F358-Y371 HydrophobicContact CE2-CD2 4.34Å; F358-Y371 HydrophobicContact CG-CD2 4.04Å; F358-Y371 HydrophobicContact CG-CG 4.21Å; F358-V372 HydrophobicContact CD1-CG1 4.35Å; F358-L442 HydrophobicContact CE1-CB 3.78Å; F358-L442 HydrophobicContact CE1-CD1 4.46Å; F358-L442 HydrophobicContact CZ-CB 4.13Å; F358-L442 HydrophobicContact CZ-CD1 4.01Å
359	P	95.2	Very high	92.6	Very high	12 Å²	12	34.4 Å²	34.4	8%	0.078	17%	0.171	C	C	.	.	S	Bend	trans	-58.5	115.4	179.3	-22.3	33	0	0	0	112.3	F256 V260 Y371	F256-P359 HydrophobicContact CB-CB 4.45Å; F256-P359 HydrophobicContact CD1-CB 3.43Å; F256-P359 VanDerWaalsContact CD1-CB 3.43Å; F256-P359 HydrophobicContact CD2-CB 4.34Å; F256-P359 HydrophobicContact CE1-CB 3.59Å; F256-P359 HydrophobicContact CE2-CB 4.46Å; F256-P359 HydrophobicContact CG-CB 3.84Å; F256-P359 HydrophobicContact CZ-CB 4.11Å; V260-P359 WeakPolarHBondContact O-CG 3.31Å; P359-Y371 HydrophobicContact CB-CE1 4.39Å; P359-Y371 HydrophobicContact CB-CE2 4.38Å; P359-Y371 HydrophobicContact CG-CE1 4.05Å; P359-Y371 WeakPolarHBondContact O-CE2 3.43Å
360	C	94.8	Very high	93.2	Very high	13 Å²	13	34.8 Å²	34.8	9%	0.088	17%	0.171	C	C	.	.			trans	-147.3	155.9	176.5	60.7	0	0	0	0	109.2	F256 L345 F358	F256-C360 WeakPolarHBondContact CE2-O 3.18Å; L345-C360 PolarHBondContact N-SG 3.46Å; L345-C360 VanDerWaalsContact N-SG 3.38Å; F358-C360 HydrophobicContact CD2-CB 4.28Å; F358-C360 HydrophobicContact CE2-CB 4.01Å; F358-C360 PolarHBondContact O-N 3.34Å; F358-C360 VanDerWaalsContact O-N 3.09Å; F358-C360 PolarHBondContact O-SG 3.01Å
361	P	97.5	Very high	93.8	Very high	26 Å²	26	30.6 Å²	30.6	17%	0.169	14%	0.144	C	C	.	.	S	Bend	cis	-72.1	139.7	20.8	28.4	-35.7	0	0	0	114.8	F247 I253 L255 F256 V342 I343 A344	F247-P361 HydrophobicContact CD2-CB 4.49Å; F247-P361 HydrophobicContact CE2-CB 3.84Å; F247-P361 HydrophobicContact CZ-CB 4.37Å; I253-P361 HydrophobicContact CG2-CB 4.37Å; I253-P361 HydrophobicContact CG2-CG 3.75Å; L255-P361 HydrophobicContact CD2-CB 4.15Å; L255-P361 HydrophobicContact CD2-CG 4.37Å; F256-P361 PolarHBondContact N-O 2.86Å; V342-P361 HydrophobicContact CG1-CB 4.44Å; I343-P361 CarbonylContact O-C 3.58Å; I343-P361 VanDerWaalsContact O-CA 3.23Å; I343-P361 WeakPolarHBondContact O-CA 3.47Å; A344-P361 HydrophobicContact CB-CB 4.28Å
362	C	97.6	Very high	94.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	168.1	174.8	66.1	0	0	0	0	110.7	F256 I343 T366	F256-C362 HydrophobicContact CB-CB 4.09Å; F256-C362 WeakPolarHBondContact O-CB 3.41Å; I343-C362 WeakPolarHBondContact CG1-O 3.19Å; I343-C362 PolarHBondContact N-O 3.25Å; I343-C362 PolarHBondContact O-N 2.98Å; I343-C362 VanDerWaalsContact O-O 3.09Å; C362-T366 HydrophobicContact CB-CG2 3.97Å
363	S	97.9	Very high	95	Very high	16 Å²	16	28.5 Å²	28.5	11%	0.112	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	155.4	172.9	66.1	0	0	0	0	112	L339 S341 R365 T366 A367	L339-S363 WeakPolarHBondContact O-CB 3.41Å; S341-S363 VanDerWaalsContact O-CA 3.31Å; S341-S363 WeakPolarHBondContact O-CA 3.23Å; S363-R365 PolarHBondContact O-N 3.41Å; S363-T366 WeakPolarHBondContact O-CA 3.31Å; S363-T366 WeakPolarHBondContact O-CB 3.43Å; S363-T366 PolarHBondContact O-N 2.57Å; S363-T366 PolarHBondContact OG-N 2.83Å; S363-T366 PolarHBondContact OG-OG1 3.4Å; S363-A367 PolarHBondContact O-N 3.19Å
364	Y	98.3	Very high	95.7	Very high	15 Å²	15	24 Å²	24	6%	0.059	12%	0.115	C	C	.	.	H	α-helix	trans	-52	-39.6	170.1	-77.9	-63.9	0	0	0	112	I337 L339 S341 I343 T366 A367 L368 L438 L442	I337-Y364 HydrophobicContact CG2-CD2 3.76Å; I337-Y364 HydrophobicContact CG2-CE2 3.78Å; I337-Y364 HydrophobicContact CG2-CG 4.44Å; L339-Y364 PolarHBondContact O-N 2.83Å; S341-Y364 PolarHBondContact O-N 3.41Å; I343-Y364 HydrophobicContact CD1-CD1 3.69Å; I343-Y364 HydrophobicContact CD1-CE1 3.47Å; I343-Y364 VanDerWaalsContact CD1-CE1 3.47Å; I343-Y364 HydrophobicContact CD1-CG 4.46Å; I343-Y364 HydrophobicContact CG1-CD1 4.25Å; I343-Y364 HydrophobicContact CG1-CE1 4.21Å; I343-Y364 HydrophobicContact CG2-CD2 4.12Å; I343-Y364 HydrophobicContact CG2-CE1 4.13Å; I343-Y364 HydrophobicContact CG2-CE2 3.54Å; Y364-T366 VanDerWaalsContact C-N 3.32Å; Y364-T366 PolarHBondContact O-N 3.02Å; Y364-A367 PolarHBondContact O-N 3.28Å; Y364-L368 WeakPolarHBondContact O-CB 3.21Å; Y364-L368 WeakPolarHBondContact O-CG 3.5Å; Y364-L368 PolarHBondContact O-N 3Å; Y364-L438 HydrophobicContact CD1-CB 4.3Å; Y364-L438 HydrophobicContact CD1-CD2 3.36Å; Y364-L438 HydrophobicContact CD1-CG 3.65Å; Y364-L438 HydrophobicContact CD2-CD2 4.5Å; Y364-L438 HydrophobicContact CE1-CB 4Å; Y364-L438 HydrophobicContact CE1-CD2 3.91Å; Y364-L438 HydrophobicContact CE1-CG 3.84Å; Y364-L438 HydrophobicContact CG-CD2 3.71Å; Y364-L438 HydrophobicContact CG-CG 4.48Å; Y364-L442 HydrophobicContact CD1-CD1 3.71Å; Y364-L442 HydrophobicContact CE1-CD1 4.06Å
365	R	98.1	Very high	96.3	Very high	74 Å²	74	23.2 Å²	23.2	28%	0.279	11%	0.114	S	C	.	.	H	α-helix	trans	-57.4	-44.9	174.8	-165.9	179.1	-59.8	-76.6	3.6	111.3	V328 E329 L339 D340 S363 S369	V328-R365 HydrophobicContact CG1-CG 4.21Å; E329-R365 IonicContact OE2-CZ 3.98Å; E329-R365 IonicContact OE2-NH1 2.8Å; E329-R365 PolarHBondContact OE2-NH1 2.95Å; E329-R365 IonicContact OE2-NH2 3.99Å; L339-R365 HydrophobicContact CB-CB 3.99Å; L339-R365 WeakPolarHBondContact O-CB 3.48Å; L339-R365 PolarHBondContact O-N 2.97Å; D340-R365 IonicContact OD1-CZ 2.8Å; D340-R365 IonicContact OD1-NE 3.38Å; D340-R365 PolarHBondContact OD1-NE 3.23Å; D340-R365 IonicContact OD1-NH2 2.95Å; D340-R365 IonicContact OD2-CZ 2.69Å; D340-R365 IonicContact OD2-NE 3.64Å; D340-R365 IonicContact OD2-NH2 3.47Å; D340-R365 PolarHBondContact OD2-NH2 3.19Å; S363-R365 PolarHBondContact O-N 3.41Å; R365-S369 WeakPolarHBondContact O-CB 3.06Å; R365-S369 PolarHBondContact O-N 3.42Å; R365-S369 PolarHBondContact O-OG 3.21Å
366	T	98.1	Very high	96.4	Very high	21 Å²	21	19.7 Å²	19.7	13%	0.129	11%	0.109	C	C	.	.	H	α-helix	trans	-65.9	-45.9	-180	-58.6	0	0	0	0	110.8	C362 S363 Y364 S369 F370 Y371	C362-T366 HydrophobicContact CB-CG2 3.97Å; S363-T366 WeakPolarHBondContact O-CA 3.31Å; S363-T366 WeakPolarHBondContact O-CB 3.43Å; S363-T366 PolarHBondContact O-N 2.57Å; S363-T366 PolarHBondContact OG-N 2.83Å; S363-T366 PolarHBondContact OG-OG1 3.4Å; Y364-T366 VanDerWaalsContact C-N 3.32Å; Y364-T366 PolarHBondContact O-N 3.02Å; T366-S369 PolarHBondContact O-N 3.07Å; T366-F370 HydrophobicContact CG2-CD2 3.94Å; T366-F370 WeakPolarHBondContact O-CD2 3.43Å; T366-F370 PolarHBondContact O-N 2.88Å; T366-Y371 HydrophobicContact CG2-CE2 3.96Å
367	A	98.3	Very high	96.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-58.4	-50.9	177.5	0	0	0	0	0	112.2	F358 S363 Y364 S369 Y371 V372 L442	F358-A367 HydrophobicContact CD2-CB 4.34Å; F358-A367 HydrophobicContact CE2-CB 3.69Å; F358-A367 HydrophobicContact CZ-CB 3.85Å; S363-A367 PolarHBondContact O-N 3.19Å; Y364-A367 PolarHBondContact O-N 3.28Å; A367-S369 VanDerWaalsContact C-N 3.3Å; A367-S369 PolarHBondContact O-N 3.32Å; A367-Y371 HydrophobicContact CB-CD2 4.45Å; A367-Y371 WeakPolarHBondContact O-CB 3.47Å; A367-Y371 PolarHBondContact O-N 3.25Å; A367-V372 PolarHBondContact O-N 3.42Å; A367-L442 HydrophobicContact CB-CD1 3.73Å; A367-L442 HydrophobicContact CB-CD2 3.88Å; A367-L442 HydrophobicContact CB-CG 4.46Å
368	L	98.3	Very high	96.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.9	-29.6	177	-72.7	171.1	0	0	0	113.3	N323 V328 F331 L339 Y364 V372 I374 L438 L442	N323-L368 PolarHBondContact ND2-O 2.85Å; V328-L368 HydrophobicContact CB-CB 4.48Å; V328-L368 HydrophobicContact CG1-CB 3.82Å; V328-L368 HydrophobicContact CG1-CD1 4.15Å; V328-L368 HydrophobicContact CG2-CB 4.13Å; F331-L368 HydrophobicContact CB-CD1 3.79Å; F331-L368 HydrophobicContact CD1-CD2 4.3Å; F331-L368 HydrophobicContact CD2-CD1 3.97Å; F331-L368 HydrophobicContact CD2-CD2 3.94Å; F331-L368 HydrophobicContact CE1-CD2 4.23Å; F331-L368 HydrophobicContact CE2-CD2 3.88Å; F331-L368 HydrophobicContact CG-CD1 3.86Å; F331-L368 HydrophobicContact CG-CD2 4.15Å; F331-L368 HydrophobicContact CZ-CD2 4.02Å; L339-L368 HydrophobicContact CD2-CD1 3.74Å; Y364-L368 WeakPolarHBondContact O-CB 3.21Å; Y364-L368 WeakPolarHBondContact O-CG 3.5Å; Y364-L368 PolarHBondContact O-N 3Å; L368-V372 HydrophobicContact CD2-CG2 4.11Å; L368-I374 HydrophobicContact CD2-CG2 3.78Å; L368-L438 HydrophobicContact CD1-CD1 4.23Å; L368-L438 HydrophobicContact CD1-CD2 4.05Å; L368-L438 HydrophobicContact CD2-CD1 4.12Å; L368-L438 HydrophobicContact CG-CD1 4.46Å; L368-L442 HydrophobicContact CD2-CD2 3.99Å; L368-L442 HydrophobicContact CG-CD2 4.23Å
369	S	97.7	Very high	96.2	Very high	10 Å²	10	22.7 Å²	22.7	7%	0.07	12%	0.122	C	C	.	.	H	α-helix	trans	-78.9	-37.2	-178.1	-66	0	0	0	0	112.9	R322 N323 R365 T366 A367	R322-S369 CarbonylContact C-O 3.52Å; R322-S369 WeakPolarHBondContact CA-O 3.27Å; R322-S369 WeakPolarHBondContact CG-O 3.35Å; N323-S369 PolarHBondContact N-O 3.43Å; R365-S369 WeakPolarHBondContact O-CB 3.06Å; R365-S369 PolarHBondContact O-N 3.42Å; R365-S369 PolarHBondContact O-OG 3.21Å; T366-S369 PolarHBondContact O-N 3.07Å; A367-S369 VanDerWaalsContact C-N 3.3Å; A367-S369 PolarHBondContact O-N 3.32Å
370	F	96.6	Very high	95.9	Very high	50 Å²	50	24 Å²	24	22%	0.219	13%	0.128	C	C	.	.	H	α-helix	trans	-127.5	-17.7	-164.2	-60.1	-69	0	0	0	115.5	R322 T366	R322-F370 HydrophobicContact CB-CD1 4.1Å; R322-F370 HydrophobicContact CB-CE1 3.79Å; R322-F370 VanDerWaalsContact CD-CE1 3.49Å; R322-F370 HydrophobicContact CG-CD1 3.86Å; R322-F370 HydrophobicContact CG-CE1 3.46Å; R322-F370 VanDerWaalsContact CG-CE1 3.46Å; R322-F370 HydrophobicContact CG-CZ 3.96Å; T366-F370 HydrophobicContact CG2-CD2 3.94Å; T366-F370 WeakPolarHBondContact O-CD2 3.43Å; T366-F370 PolarHBondContact O-N 2.88Å
371	Y	96.5	Very high	95.5	Very high	4 Å²	4	24.7 Å²	24.7	2%	0.016	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-31.6	-166.4	-61.6	-37	0	0	0	115.1	G258 E259 F358 P359 T366 A367 R447 L448	G258-Y371 VanDerWaalsContact C-OH 3.23Å; G258-Y371 WeakPolarHBondContact CA-OH 3.47Å; G258-Y371 PolarHBondContact N-OH 2.9Å; G258-Y371 VanDerWaalsContact N-OH 3.16Å; E259-Y371 PolarHBondContact N-OH 3.33Å; E259-Y371 WeakPolarHBondContact O-CE1 3.25Å; E259-Y371 PolarHBondContact O-OH 3.02Å; F358-Y371 HydrophobicContact CB-CD2 4.09Å; F358-Y371 HydrophobicContact CB-CG 3.89Å; F358-Y371 AromaticContact CD2-CD2 3.52Å; F358-Y371 HydrophobicContact CD2-CD2 3.52Å; F358-Y371 HydrophobicContact CD2-CE2 4.28Å; F358-Y371 HydrophobicContact CD2-CG 4.16Å; F358-Y371 HydrophobicContact CE2-CD2 4.34Å; F358-Y371 HydrophobicContact CG-CD2 4.04Å; F358-Y371 HydrophobicContact CG-CG 4.21Å; P359-Y371 HydrophobicContact CB-CE1 4.39Å; P359-Y371 HydrophobicContact CB-CE2 4.38Å; P359-Y371 HydrophobicContact CG-CE1 4.05Å; P359-Y371 WeakPolarHBondContact O-CE2 3.43Å; T366-Y371 HydrophobicContact CG2-CE2 3.96Å; A367-Y371 HydrophobicContact CB-CD2 4.45Å; A367-Y371 WeakPolarHBondContact O-CB 3.47Å; A367-Y371 PolarHBondContact O-N 3.25Å; Y371-R447 CarbonylContact O-C 3.59Å; Y371-R447 VanDerWaalsContact O-CA 3.29Å; Y371-R447 WeakPolarHBondContact O-CA 3.48Å; Y371-R447 WeakPolarHBondContact O-CD 3.45Å; Y371-R447 PolarHBondContact O-NE 2.55Å; Y371-R447 VanDerWaalsContact O-NE 3.1Å; Y371-L448 PolarHBondContact O-N 3.15Å
372	V	96.8	Very high	95.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-115.9	144.5	-178.9	-63.6	0	0	0	0	111.8	N323 F358 A367 L368 I374 L442 L445 P446	N323-V372 PolarHBondContact ND2-O 3.18Å; F358-V372 HydrophobicContact CD1-CG1 4.35Å; A367-V372 PolarHBondContact O-N 3.42Å; L368-V372 HydrophobicContact CD2-CG2 4.11Å; V372-I374 HydrophobicContact CG2-CG2 3.88Å; V372-L442 HydrophobicContact CB-CD2 4.35Å; V372-L442 HydrophobicContact CG1-CD2 3.92Å; V372-L442 HydrophobicContact CG2-CD2 3.52Å; V372-L445 HydrophobicContact CB-CB 4.21Å; V372-P446 CarbonylContact C-O 3.59Å; V372-P446 WeakPolarHBondContact CA-O 3.41Å
373	D	95.8	Very high	95.2	Very high	26 Å²	26	23.5 Å²	23.5	14%	0.139	12%	0.122	C	C	.	.			trans	-82.9	119.1	169.7	-178.8	1.2	0	0	0	109.7	T375 S376 P446 L448	D373-T375 PolarHBondContact OD1-N 2.96Å; D373-T375 PolarHBondContact OD1-OG1 2.95Å; D373-S376 PolarHBondContact OD1-N 3.22Å; D373-S376 VanDerWaalsContact OD1-N 3.15Å; D373-S376 WeakPolarHBondContact OD2-CB 3.5Å; D373-S376 PolarHBondContact OD2-OG 2.88Å; D373-P446 HydrophobicContact CB-CG 4.26Å; D373-P446 PolarHBondContact N-O 3.3Å; D373-L448 HydrophobicContact CB-CD1 4.42Å
374	I	97.1	Very high	95	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.015	13%	0.133	C	C	.	.			trans	-107.8	3.3	-178.4	64.7	176.8	0	0	0	112.6	N323 L327 V328 F331 L368 V372 L445	N323-I374 HydrophobicContact CB-CD1 3.81Å; N323-I374 HydrophobicContact CB-CG1 4.24Å; L327-I374 HydrophobicContact CB-CD1 3.95Å; V328-I374 HydrophobicContact CG2-CD1 4.2Å; F331-I374 HydrophobicContact CE2-CB 3.93Å; F331-I374 HydrophobicContact CE2-CD1 3.98Å; F331-I374 HydrophobicContact CE2-CG2 3.9Å; F331-I374 HydrophobicContact CZ-CB 4.06Å; F331-I374 HydrophobicContact CZ-CG2 3.91Å; L368-I374 HydrophobicContact CD2-CG2 3.78Å; V372-I374 HydrophobicContact CG2-CG2 3.88Å; I374-L445 HydrophobicContact CG2-CD1 4.32Å
375	T	95.8	Very high	94.7	Very high	35 Å²	35	27.3 Å²	27.3	22%	0.215	14%	0.137	C	C	.	.	S	Bend	trans	-112.3	-28.5	-169.9	62.1	0	0	0	0	113.6	L327 D373 V486	L327-T375 HydrophobicContact CD1-CG2 3.92Å; D373-T375 PolarHBondContact OD1-N 2.96Å; D373-T375 PolarHBondContact OD1-OG1 2.95Å; T375-V486 HydrophobicContact CG2-CG2 3.96Å; T375-V486 WeakPolarHBondContact OG1-CG2 3.43Å
376	S	93.4	Very high	94.6	Very high	54 Å²	54	23.8 Å²	23.8	38%	0.378	12%	0.124	S	C	.	.	S	Bend	trans	-70.2	150.8	176.5	-67.7	0	0	0	0	112.3	D373	D373-S376 PolarHBondContact OD1-N 3.22Å; D373-S376 VanDerWaalsContact OD1-N 3.15Å; D373-S376 WeakPolarHBondContact OD2-CB 3.5Å; D373-S376 PolarHBondContact OD2-OG 2.88Å
377	P	94.3	Very high	94.5	Very high	54 Å²	54	23.5 Å²	23.5	35%	0.351	12%	0.122	S	C	.	.	P	Polyproline II helix	trans	-57.2	130.9	171	-23	33.5	0	0	0	111.4	I417 R422	P377-I417 HydrophobicContact CB-CG2 3.73Å; P377-R422 WeakPolarHBondContact CA-O 3.25Å
378	P	93.8	Very high	94.3	Very high	5 Å²	5	28.5 Å²	28.5	3%	0.032	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-70.3	138.3	-178	26.6	-31.1	0	0	0	110.9	V382 I383 Y413 R422 I427	P378-V382 HydrophobicContact CB-CB 4.06Å; P378-V382 HydrophobicContact CB-CG1 4.06Å; P378-I383 HydrophobicContact CG-CG1 4.28Å; P378-Y413 PolarHBondContact O-OH 2.87Å; P378-R422 WeakPolarHBondContact CD-O 3.44Å; P378-I427 HydrophobicContact CG-CD1 3.45Å; P378-I427 VanDerWaalsContact CG-CD1 3.45Å
379	R	88.9	Confident	94.2	Very high	58 Å²	58	30.9 Å²	30.9	22%	0.219	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-63.3	157.7	175.4	-64	-179.7	-178.6	167.3	1.2	111.1	T87 D90 H381 V382 I383	T87-R379 PolarHBondContact OG1-NH2 3.09Å; T87-R379 VanDerWaalsContact OG1-NH2 3.08Å; D90-R379 VanDerWaalsContact CB-NH1 3.34Å; D90-R379 IonicContact OD2-CZ 2.58Å; D90-R379 IonicContact OD2-NH1 3.77Å; D90-R379 PolarHBondContact OD2-NH1 3.19Å; R379-H381 VanDerWaalsContact C-N 3.26Å; R379-H381 VanDerWaalsContact CB-CD2 3.43Å; R379-H381 WeakPolarHBondContact CB-CD2 3.18Å; R379-H381 WeakPolarHBondContact CB-NE2 3.3Å; R379-H381 WeakPolarHBondContact CD-NE2 3.46Å; R379-H381 PolarHBondContact O-N 2.97Å; R379-V382 HydrophobicContact CB-CG2 4.37Å; R379-V382 WeakPolarHBondContact O-CB 3.32Å; R379-V382 PolarHBondContact O-N 2.89Å; R379-I383 PolarHBondContact O-N 2.75Å
380	M	88.4	Confident	94.2	Very high	39 Å²	39	30.8 Å²	30.8	19%	0.192	16%	0.155	C	C	.	.	H	α-helix	trans	-55	-38.5	-178.6	-71.1	-180	67.6	0	0	113.3	V382 I383 K384 M402 Y413	M380-V382 VanDerWaalsContact C-N 3.34Å; M380-V382 PolarHBondContact O-N 3.39Å; M380-I383 PolarHBondContact O-N 3.29Å; M380-K384 WeakPolarHBondContact O-CB 3.3Å; M380-K384 PolarHBondContact O-N 3.23Å; M380-M402 WeakPolarHBondContact CE-O 3.43Å; M380-Y413 HydrophobicContact CG-CD1 4.2Å; M380-Y413 HydrophobicContact CG-CD2 3.86Å; M380-Y413 HydrophobicContact CG-CE1 4.11Å; M380-Y413 HydrophobicContact CG-CE2 3.76Å; M380-Y413 HydrophobicContact CG-CG 4.08Å; M380-Y413 HydrophobicContact SD-CD1 4.43Å
381	H	87.1	Confident	94.2	Very high	28 Å²	28	33.3 Å²	33.3	13%	0.13	18%	0.179	C	C	.	.	H	α-helix	trans	-64.7	-36.6	177	71.8	91.8	0	0	0	112.4	D90 E210 R379 I383 K384 E385	D90-H381 IonicContact OD1-CE1 2.8Å; D90-H381 IonicContact OD2-NE2 3.85Å; E210-H381 IonicContact OE1-CD2 2.99Å; R379-H381 VanDerWaalsContact C-N 3.26Å; R379-H381 VanDerWaalsContact CB-CD2 3.43Å; R379-H381 WeakPolarHBondContact CB-CD2 3.18Å; R379-H381 WeakPolarHBondContact CB-NE2 3.3Å; R379-H381 WeakPolarHBondContact CD-NE2 3.46Å; R379-H381 PolarHBondContact O-N 2.97Å; H381-I383 VanDerWaalsContact C-N 3.33Å; H381-I383 PolarHBondContact O-N 3.01Å; H381-K384 WeakPolarHBondContact O-CB 3.27Å; H381-K384 PolarHBondContact O-N 3.21Å; H381-E385 WeakPolarHBondContact O-CG 3.3Å; H381-E385 PolarHBondContact O-N 3.25Å
382	V	93.6	Very high	94.3	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-44.9	174.8	-175.4	0	0	0	0	109.8	P378 R379 M380 K384 E385 I386 L444 L445	P378-V382 HydrophobicContact CB-CB 4.06Å; P378-V382 HydrophobicContact CB-CG1 4.06Å; R379-V382 HydrophobicContact CB-CG2 4.37Å; R379-V382 WeakPolarHBondContact O-CB 3.32Å; R379-V382 PolarHBondContact O-N 2.89Å; M380-V382 VanDerWaalsContact C-N 3.34Å; M380-V382 PolarHBondContact O-N 3.39Å; V382-K384 VanDerWaalsContact C-N 3.3Å; V382-K384 PolarHBondContact O-N 3.29Å; V382-E385 PolarHBondContact O-N 3.24Å; V382-I386 WeakPolarHBondContact O-CG2 3.47Å; V382-I386 PolarHBondContact O-N 3.07Å; V382-I386 VanDerWaalsContact O-N 3.09Å; V382-L444 HydrophobicContact CG1-CB 4.25Å; V382-L444 HydrophobicContact CG1-CD1 4.44Å; V382-L444 HydrophobicContact CG2-CB 4.21Å; V382-L445 HydrophobicContact CG1-CD2 4.49Å
383	I	95.1	Very high	94.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.5	-44.8	175.9	-60.5	174.8	0	0	0	110.3	P378 R379 M380 H381 E385 I386 I387 L399 V403 Y413 I417	P378-I383 HydrophobicContact CG-CG1 4.28Å; R379-I383 PolarHBondContact O-N 2.75Å; M380-I383 PolarHBondContact O-N 3.29Å; H381-I383 VanDerWaalsContact C-N 3.33Å; H381-I383 PolarHBondContact O-N 3.01Å; I383-E385 VanDerWaalsContact C-N 3.29Å; I383-E385 PolarHBondContact O-N 3.07Å; I383-I386 WeakPolarHBondContact O-CG1 3.49Å; I383-I386 PolarHBondContact O-N 3.31Å; I383-I387 VanDerWaalsContact O-CG1 3.3Å; I383-I387 WeakPolarHBondContact O-CG1 3.44Å; I383-I387 PolarHBondContact O-N 3.49Å; I383-L399 HydrophobicContact CG2-CB 4.08Å; I383-L399 HydrophobicContact CG2-CD2 4.07Å; I383-L399 HydrophobicContact CG2-CG 4.48Å; I383-V403 HydrophobicContact CB-CG1 3.96Å; I383-V403 HydrophobicContact CG2-CG1 3.67Å; I383-Y413 HydrophobicContact CD1-CD2 3.76Å; I383-Y413 HydrophobicContact CD1-CE2 3.69Å; I383-I417 HydrophobicContact CD1-CD1 3.91Å; I383-I417 HydrophobicContact CD1-CG1 3.77Å
384	K	92.6	Very high	94.4	Very high	79 Å²	79	44.9 Å²	44.9	34%	0.343	24%	0.241	S	C	.	.	H	α-helix	trans	-57.2	-42.4	179.3	-173.2	177.9	180	174.1	0	112.3	E236 M380 H381 V382 V403	E236-K384 VanDerWaalsContact CD-NZ 3.29Å; E236-K384 IonicContact OE1-NZ 2.77Å; E236-K384 PolarHBondContact OE1-NZ 3.2Å; E236-K384 WeakPolarHBondContact OE2-CE 3.4Å; E236-K384 IonicContact OE2-NZ 2.68Å; E236-K384 PolarHBondContact OE2-NZ 3.42Å; M380-K384 WeakPolarHBondContact O-CB 3.3Å; M380-K384 PolarHBondContact O-N 3.23Å; H381-K384 WeakPolarHBondContact O-CB 3.27Å; H381-K384 PolarHBondContact O-N 3.21Å; V382-K384 VanDerWaalsContact C-N 3.3Å; V382-K384 PolarHBondContact O-N 3.29Å; K384-V403 HydrophobicContact CB-CB 4.34Å; K384-V403 HydrophobicContact CB-CG1 4.13Å
385	E	93.1	Very high	94.5	Very high	31 Å²	31	46.6 Å²	46.6	15%	0.145	25%	0.249	C	C	.	.	H	α-helix	trans	-73.9	-33.7	-179	-67.5	-60.6	147.3	0	0	113.1	S238 H381 V382 I383 Q388 L444	S238-E385 WeakPolarHBondContact CB-OE2 3.46Å; S238-E385 PolarHBondContact OG-OE2 3.02Å; H381-E385 WeakPolarHBondContact O-CG 3.3Å; H381-E385 PolarHBondContact O-N 3.25Å; V382-E385 PolarHBondContact O-N 3.24Å; I383-E385 VanDerWaalsContact C-N 3.29Å; I383-E385 PolarHBondContact O-N 3.07Å; E385-Q388 WeakPolarHBondContact O-CG 3.38Å; E385-Q388 PolarHBondContact O-NE2 3.38Å; E385-L444 HydrophobicContact CB-CD1 3.5Å; E385-L444 VanDerWaalsContact CB-CD1 3.5Å; E385-L444 HydrophobicContact CG-CD1 4Å; E385-L444 HydrophobicContact CG-CD2 4.08Å
386	I	95.7	Very high	94.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-79.9	-18.1	-179.7	68.1	177	0	0	0	113.9	V382 I383 Q388 H389 L399 I424 I427 P436 L441	V382-I386 WeakPolarHBondContact O-CG2 3.47Å; V382-I386 PolarHBondContact O-N 3.07Å; V382-I386 VanDerWaalsContact O-N 3.09Å; I383-I386 WeakPolarHBondContact O-CG1 3.49Å; I383-I386 PolarHBondContact O-N 3.31Å; I386-Q388 PolarHBondContact O-N 2.95Å; I386-Q388 VanDerWaalsContact O-N 3.15Å; I386-H389 WeakPolarHBondContact O-CA 3.45Å; I386-H389 WeakPolarHBondContact O-CB 3.07Å; I386-H389 PolarHBondContact O-N 3.24Å; I386-L399 HydrophobicContact CD1-CD1 4.2Å; I386-L399 HydrophobicContact CG1-CD1 4.1Å; I386-I424 HydrophobicContact CD1-CD1 3.74Å; I386-I427 HydrophobicContact CD1-CG2 4.28Å; I386-P436 HydrophobicContact CB-CB 4.24Å; I386-P436 HydrophobicContact CB-CG 4.33Å; I386-P436 HydrophobicContact CG2-CB 3.87Å; I386-P436 HydrophobicContact CG2-CG 3.99Å; I386-L441 HydrophobicContact CG2-CD2 3.8Å
387	I	96	Very high	94.7	Very high	15 Å²	15	51.1 Å²	51.1	8%	0.077	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-51.9	-38	179.2	-80.4	163.3	0	0	0	113	I383 H389 C390 K396 L399 Q400 V403	I383-I387 VanDerWaalsContact O-CG1 3.3Å; I383-I387 WeakPolarHBondContact O-CG1 3.44Å; I383-I387 PolarHBondContact O-N 3.49Å; I387-H389 PolarHBondContact O-N 2.9Å; I387-C390 PolarHBondContact O-N 2.83Å; I387-K396 HydrophobicContact CG2-CD 4.48Å; I387-K396 HydrophobicContact CG2-CG 3.9Å; I387-K396 WeakPolarHBondContact O-CE 3.17Å; I387-L399 HydrophobicContact CD1-CB 4.12Å; I387-L399 HydrophobicContact CG1-CB 3.46Å; I387-L399 VanDerWaalsContact CG1-CB 3.46Å; I387-L399 HydrophobicContact CG1-CD1 4.29Å; I387-Q400 HydrophobicContact CD1-CG 4.01Å; I387-Q400 HydrophobicContact CG1-CG 4.37Å; I387-Q400 HydrophobicContact CG2-CG 3.61Å; I387-V403 HydrophobicContact CD1-CB 4.43Å; I387-V403 HydrophobicContact CD1-CG1 4.15Å; I387-V403 HydrophobicContact CD1-CG2 3.43Å; I387-V403 VanDerWaalsContact CD1-CG2 3.43Å
388	Q	93.9	Very high	94.8	Very high	105 Å²	105	50.4 Å²	50.4	49%	0.491	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-69.6	-14.1	-179.3	70.4	-169.8	-20.5	0	0	113.1	E385 I386	E385-Q388 WeakPolarHBondContact O-CG 3.38Å; E385-Q388 PolarHBondContact O-NE2 3.38Å; I386-Q388 PolarHBondContact O-N 2.95Å; I386-Q388 VanDerWaalsContact O-N 3.15Å
389	H	96	Very high	95	Very high	51 Å²	51	50.2 Å²	50.2	24%	0.236	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-100.2	13.4	178.9	-57	-71.7	0	0	0	113.2	I386 I387 S433 R435 P436 P437 L440	I386-H389 WeakPolarHBondContact O-CA 3.45Å; I386-H389 WeakPolarHBondContact O-CB 3.07Å; I386-H389 PolarHBondContact O-N 3.24Å; I387-H389 PolarHBondContact O-N 2.9Å; H389-S433 VanDerWaalsContact O-O 3.07Å; H389-R435 PolarHBondContact O-N 2.89Å; H389-P436 HydrophobicContact CB-CB 4.05Å; H389-P437 VanDerWaalsContact CE1-CD 3.43Å; H389-P437 WeakPolarHBondContact CE1-CD 3.33Å; H389-P437 WeakPolarHBondContact ND1-CD 3.3Å; H389-L440 VanDerWaalsContact NE2-CD2 3.27Å; H389-L440 WeakPolarHBondContact NE2-CD2 3.27Å
390	C	97.3	Very high	95.3	Very high	8 Å²	8	51.4 Å²	51.4	5%	0.054	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-92.2	117.9	166.5	-59	0	0	0	0	109.8	I387 K396 C434	I387-C390 PolarHBondContact O-N 2.83Å; C390-K396 HydrophobicContact CB-CB 3.8Å; C390-K396 HydrophobicContact CB-CG 4.22Å; C390-C434 VanDerWaalsContact SG-CB 3.59Å; C390-C434 VanDerWaalsContact SG-SG 3.61Å
391	S	97.3	Very high	95.6	Very high	103 Å²	103	51.4 Å²	51.4	72%	0.72	26%	0.26	S	S	*	.			trans	-81.8	-29.4	177.1	62.9	0	0	0	0	113.4	S433	S391-S433 PolarHBondContact N-O 3.06Å; S391-S433 WeakPolarHBondContact OG-CB 3.25Å
392	D	98.1	Very high	95.9	Very high	65 Å²	65	50 Å²	50	35%	0.348	25%	0.254	S	S	.	.	S	Bend	trans	-81.2	132.1	175	-179	76.6	0	0	0	110.7	D394 E395 K396 S433	D392-D394 WeakPolarHBondContact OD2-CA 3.34Å; D392-D394 WeakPolarHBondContact OD2-CB 3.22Å; D392-D394 PolarHBondContact OD2-N 2.82Å; D392-E395 HydrophobicContact CB-CB 4.16Å; D392-E395 HydrophobicContact CB-CG 4.09Å; D392-E395 PolarHBondContact OD2-N 3.15Å; D392-K396 VanDerWaalsContact O-CB 3.22Å; D392-K396 WeakPolarHBondContact O-CB 3.33Å; D392-K396 PolarHBondContact O-N 2.81Å; D392-S433 WeakPolarHBondContact CB-OG 3.37Å; D392-S433 PolarHBondContact N-OG 2.79Å; D392-S433 VanDerWaalsContact N-OG 3.15Å
393	L	97.3	Very high	95.7	Very high	106 Å²	106	51.5 Å²	51.5	56%	0.555	26%	0.263	S	S	*	.	H	α-helix	trans	-72.5	-31	-174.8	-69	177	0	0	0	112.8	R397	L393-R397 WeakPolarHBondContact O-CG 3.42Å; L393-R397 PolarHBondContact O-N 2.92Å
394	D	97.9	Very high	95.3	Very high	102 Å²	102	54.7 Å²	54.7	55%	0.545	28%	0.282	S	S	.	.	H	α-helix	trans	-74.4	-44.8	178.9	-71.4	-45.7	0	0	0	110.7	D392 K396 R397 V398	D392-D394 WeakPolarHBondContact OD2-CA 3.34Å; D392-D394 WeakPolarHBondContact OD2-CB 3.22Å; D392-D394 PolarHBondContact OD2-N 2.82Å; D394-K396 VanDerWaalsContact C-N 3.31Å; D394-K396 PolarHBondContact O-N 3.29Å; D394-R397 WeakPolarHBondContact O-CB 3.42Å; D394-R397 PolarHBondContact O-N 3.32Å; D394-R397 VanDerWaalsContact O-N 3.16Å; D394-R397 IonicContact OD1-CZ 3.22Å; D394-R397 IonicContact OD1-NH1 2.63Å; D394-R397 PolarHBondContact OD1-NH1 3.17Å; D394-V398 WeakPolarHBondContact O-CG2 3.34Å; D394-V398 PolarHBondContact O-N 3.41Å
395	E	97.8	Very high	94.7	Very high	38 Å²	38	57.7 Å²	57.7	18%	0.178	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-41.3	172.7	-65.9	-175.9	-166.2	0	0	111.9	D392 R397 V398 L399 L431 P432 S433	D392-E395 HydrophobicContact CB-CB 4.16Å; D392-E395 HydrophobicContact CB-CG 4.09Å; D392-E395 PolarHBondContact OD2-N 3.15Å; E395-R397 VanDerWaalsContact C-N 3.34Å; E395-R397 PolarHBondContact O-N 2.88Å; E395-V398 WeakPolarHBondContact O-CB 3.26Å; E395-V398 PolarHBondContact O-N 3.26Å; E395-L399 PolarHBondContact O-N 3.43Å; E395-L431 HydrophobicContact CB-CB 4.21Å; E395-L431 HydrophobicContact CB-CD2 4Å; E395-L431 HydrophobicContact CG-CB 4.25Å; E395-L431 HydrophobicContact CG-CD2 3.85Å; E395-L431 VanDerWaalsContact OE2-CA 3.25Å; E395-L431 WeakPolarHBondContact OE2-CA 2.96Å; E395-L431 WeakPolarHBondContact OE2-CB 3.32Å; E395-P432 VanDerWaalsContact OE1-CD 3.32Å; E395-P432 WeakPolarHBondContact OE1-CD 3.49Å; E395-S433 WeakPolarHBondContact OE2-CA 3.5Å; E395-S433 WeakPolarHBondContact OE2-CB 3.41Å; E395-S433 PolarHBondContact OE2-N 2.83Å; E395-S433 PolarHBondContact OE2-OG 3.31Å
396	K	97.8	Very high	94.4	Very high	56 Å²	56	59.4 Å²	59.4	24%	0.243	31%	0.312	C	S	.	.	H	α-helix	trans	-59.3	-44	173.9	-171.6	172.2	-174.7	167.7	0	111.9	I387 C390 D392 D394 V398 L399 Q400	I387-K396 HydrophobicContact CG2-CD 4.48Å; I387-K396 HydrophobicContact CG2-CG 3.9Å; I387-K396 WeakPolarHBondContact O-CE 3.17Å; C390-K396 HydrophobicContact CB-CB 3.8Å; C390-K396 HydrophobicContact CB-CG 4.22Å; D392-K396 VanDerWaalsContact O-CB 3.22Å; D392-K396 WeakPolarHBondContact O-CB 3.33Å; D392-K396 PolarHBondContact O-N 2.81Å; D394-K396 VanDerWaalsContact C-N 3.31Å; D394-K396 PolarHBondContact O-N 3.29Å; K396-V398 VanDerWaalsContact C-N 3.3Å; K396-V398 PolarHBondContact O-N 3.42Å; K396-L399 PolarHBondContact O-N 3.26Å; K396-Q400 HydrophobicContact CG-CG 4.39Å; K396-Q400 WeakPolarHBondContact O-CB 3.46Å; K396-Q400 VanDerWaalsContact O-CG 3.3Å; K396-Q400 WeakPolarHBondContact O-CG 3.38Å; K396-Q400 PolarHBondContact O-N 3.34Å
397	R	97.1	Very high	94	Very high	129 Å²	129	64.4 Å²	64.4	49%	0.487	34%	0.335	S	S	.	.	H	α-helix	trans	-62.6	-35.8	176.6	-75.3	168.8	-164.5	126.3	4	112	L393 D394 E395 L399 Q400 S401	L393-R397 WeakPolarHBondContact O-CG 3.42Å; L393-R397 PolarHBondContact O-N 2.92Å; D394-R397 WeakPolarHBondContact O-CB 3.42Å; D394-R397 PolarHBondContact O-N 3.32Å; D394-R397 VanDerWaalsContact O-N 3.16Å; D394-R397 IonicContact OD1-CZ 3.22Å; D394-R397 IonicContact OD1-NH1 2.63Å; D394-R397 PolarHBondContact OD1-NH1 3.17Å; E395-R397 VanDerWaalsContact C-N 3.34Å; E395-R397 PolarHBondContact O-N 2.88Å; R397-L399 PolarHBondContact O-N 2.56Å; R397-Q400 PolarHBondContact O-N 2.93Å; R397-S401 WeakPolarHBondContact O-CB 3.21Å; R397-S401 PolarHBondContact O-N 2.95Å; R397-S401 PolarHBondContact O-OG 3.48Å
398	V	96.8	Very high	93.8	Very high	39 Å²	39	69.9 Å²	69.9	24%	0.236	36%	0.361	C	S	.	.	H	α-helix	trans	-57	-51.1	175.2	173.4	0	0	0	0	110.2	D394 E395 K396 S401 W416 L431	D394-V398 WeakPolarHBondContact O-CG2 3.34Å; D394-V398 PolarHBondContact O-N 3.41Å; E395-V398 WeakPolarHBondContact O-CB 3.26Å; E395-V398 PolarHBondContact O-N 3.26Å; K396-V398 VanDerWaalsContact C-N 3.3Å; K396-V398 PolarHBondContact O-N 3.42Å; V398-S401 PolarHBondContact O-N 3.32Å; V398-S401 PolarHBondContact O-OG 3.4Å; V398-W416 HydrophobicContact CG1-CZ2 4.31Å; V398-L431 HydrophobicContact CG1-CD1 4.42Å; V398-L431 HydrophobicContact CG1-CD2 4.49Å
399	L	96.8	Very high	93.6	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-68.7	-40.6	178.8	-63.8	-171.6	0	0	0	112.7	I383 I386 I387 E395 K396 R397 S401 M402 W416 I427 L431	I383-L399 HydrophobicContact CG2-CB 4.08Å; I383-L399 HydrophobicContact CG2-CD2 4.07Å; I383-L399 HydrophobicContact CG2-CG 4.48Å; I386-L399 HydrophobicContact CD1-CD1 4.2Å; I386-L399 HydrophobicContact CG1-CD1 4.1Å; I387-L399 HydrophobicContact CD1-CB 4.12Å; I387-L399 HydrophobicContact CG1-CB 3.46Å; I387-L399 VanDerWaalsContact CG1-CB 3.46Å; I387-L399 HydrophobicContact CG1-CD1 4.29Å; E395-L399 PolarHBondContact O-N 3.43Å; K396-L399 PolarHBondContact O-N 3.26Å; R397-L399 PolarHBondContact O-N 2.56Å; L399-S401 VanDerWaalsContact C-N 3.27Å; L399-S401 PolarHBondContact O-N 2.83Å; L399-M402 HydrophobicContact CD2-CE 3.54Å; L399-M402 PolarHBondContact O-N 3.41Å; L399-M402 VanDerWaalsContact O-N 3.07Å; L399-W416 HydrophobicContact CD2-CH2 4.41Å; L399-W416 HydrophobicContact CD2-CZ3 4.05Å; L399-I427 HydrophobicContact CD1-CG2 4.4Å; L399-I427 HydrophobicContact CD2-CG2 4.1Å; L399-L431 HydrophobicContact CD1-CD1 4.09Å; L399-L431 HydrophobicContact CD2-CD1 3.52Å; L399-L431 HydrophobicContact CG-CD1 3.59Å
400	Q	95.6	Very high	93.1	Very high	83 Å²	83	65.9 Å²	65.9	39%	0.388	34%	0.339	S	S	.	.	H	α-helix	trans	-58	-39.5	177	-75.9	175.6	-36.5	0	0	112.7	I387 K396 R397 M402 V403	I387-Q400 HydrophobicContact CD1-CG 4.01Å; I387-Q400 HydrophobicContact CG1-CG 4.37Å; I387-Q400 HydrophobicContact CG2-CG 3.61Å; K396-Q400 HydrophobicContact CG-CG 4.39Å; K396-Q400 WeakPolarHBondContact O-CB 3.46Å; K396-Q400 VanDerWaalsContact O-CG 3.3Å; K396-Q400 WeakPolarHBondContact O-CG 3.38Å; K396-Q400 PolarHBondContact O-N 3.34Å; R397-Q400 PolarHBondContact O-N 2.93Å; Q400-M402 PolarHBondContact O-N 2.68Å; Q400-M402 VanDerWaalsContact O-N 3.07Å; Q400-V403 WeakPolarHBondContact O-CG2 3.41Å; Q400-V403 PolarHBondContact O-N 2.56Å
401	S	95	Very high	92.9	Very high	39 Å²	39	70.9 Å²	70.9	27%	0.273	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-0.9	179	66.8	0	0	0	0	114.9	R397 V398 L399 S409 K412	R397-S401 WeakPolarHBondContact O-CB 3.21Å; R397-S401 PolarHBondContact O-N 2.95Å; R397-S401 PolarHBondContact O-OG 3.48Å; V398-S401 PolarHBondContact O-N 3.32Å; V398-S401 PolarHBondContact O-OG 3.4Å; L399-S401 VanDerWaalsContact C-N 3.27Å; L399-S401 PolarHBondContact O-N 2.83Å; S401-S409 WeakPolarHBondContact O-CA 3.45Å; S401-S409 VanDerWaalsContact O-CB 3.26Å; S401-S409 WeakPolarHBondContact O-CB 3.42Å; S401-S409 PolarHBondContact O-OG 3.33Å; S401-K412 VanDerWaalsContact OG-CD 3.26Å; S401-K412 WeakPolarHBondContact OG-CD 3.44Å; S401-K412 VanDerWaalsContact OG-CE 3.25Å; S401-K412 WeakPolarHBondContact OG-CE 3.37Å; S401-K412 PolarHBondContact OG-NZ 2.7Å
402	M	93.2	Very high	92.8	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-0.8	176.9	-65.9	-172.9	-66.2	0	0	113.7	M380 L399 Q400 S409 K412 W416 I417	M380-M402 WeakPolarHBondContact CE-O 3.43Å; L399-M402 HydrophobicContact CD2-CE 3.54Å; L399-M402 PolarHBondContact O-N 3.41Å; L399-M402 VanDerWaalsContact O-N 3.07Å; Q400-M402 PolarHBondContact O-N 2.68Å; Q400-M402 VanDerWaalsContact O-N 3.07Å; M402-S409 WeakPolarHBondContact CA-OG 3.4Å; M402-S409 PolarHBondContact O-OG 3.33Å; M402-K412 HydrophobicContact CG-CB 4.04Å; M402-K412 HydrophobicContact CG-CD 3.91Å; M402-K412 HydrophobicContact CG-CG 3.69Å; M402-K412 HydrophobicContact SD-CG 4.21Å; M402-W416 HydrophobicContact CE-CD2 4.34Å; M402-W416 HydrophobicContact CE-CE3 3.43Å; M402-W416 VanDerWaalsContact CE-CE3 3.43Å; M402-W416 HydrophobicContact CE-CZ3 3.68Å; M402-W416 HydrophobicContact SD-CB 4.04Å; M402-W416 HydrophobicContact SD-CD2 4.24Å; M402-W416 HydrophobicContact SD-CE3 3.67Å; M402-W416 HydrophobicContact SD-CG 4.42Å; M402-I417 HydrophobicContact CE-CD1 4.32Å; M402-I417 HydrophobicContact CE-CG1 4.28Å; M402-I417 HydrophobicContact SD-CG1 3.97Å
403	V	89.5	Confident	92.5	Very high	32 Å²	32	67 Å²	67	19%	0.194	33%	0.327	C	S	.	.	S	Bend	trans	-120.6	4.7	-176.8	-58.6	0	0	0	0	113.6	I383 K384 I387 Q400 S409	I383-V403 HydrophobicContact CB-CG1 3.96Å; I383-V403 HydrophobicContact CG2-CG1 3.67Å; K384-V403 HydrophobicContact CB-CB 4.34Å; K384-V403 HydrophobicContact CB-CG1 4.13Å; I387-V403 HydrophobicContact CD1-CB 4.43Å; I387-V403 HydrophobicContact CD1-CG1 4.15Å; I387-V403 HydrophobicContact CD1-CG2 3.43Å; I387-V403 VanDerWaalsContact CD1-CG2 3.43Å; Q400-V403 WeakPolarHBondContact O-CG2 3.41Å; Q400-V403 PolarHBondContact O-N 2.56Å; V403-S409 PolarHBondContact N-OG 3.31Å
404	T	86.3	Confident	92.3	Very high	67 Å²	67	64.9 Å²	64.9	41%	0.411	32%	0.316	S	S	.	.	S	Bend	trans	-80.6	155.3	172.7	60.1	0	0	0	0	110.9	T406 S409	T404-T406 PolarHBondContact O-N 2.86Å; T404-S409 PolarHBondContact N-OG 2.8Å; T404-S409 VanDerWaalsContact N-OG 3.13Å; T404-S409 VanDerWaalsContact O-CB 3.31Å; T404-S409 WeakPolarHBondContact O-CB 3.37Å; T404-S409 PolarHBondContact O-OG 3.42Å; T404-S409 WeakPolarHBondContact OG1-CB 3.35Å; T404-S409 PolarHBondContact OG1-OG 3.24Å
405	M	79.4	Confident	92.2	Very high	143 Å²	143	63.1 Å²	63.1	70%	0.704	31%	0.311	S	S	*	.	S	Bend	trans	-79.8	49.2	177.6	-64.4	-172.3	72.4	0	0	112.5	N218	N218-M405 WeakPolarHBondContact ND2-CE 3.5Å
406	T	87.4	Confident	92.1	Very high	67 Å²	67	63.4 Å²	63.4	41%	0.411	31%	0.31	S	S	.	.	S	Bend	trans	-123.5	154.8	178	77.2	0	0	0	0	111.3	T404 E408 S409 R410	T404-T406 PolarHBondContact O-N 2.86Å; T406-E408 VanDerWaalsContact C-N 3.27Å; T406-E408 WeakPolarHBondContact CB-OE2 3.15Å; T406-E408 PolarHBondContact O-N 2.88Å; T406-E408 PolarHBondContact OG1-OE2 3.15Å; T406-S409 PolarHBondContact O-N 3.4Å; T406-S409 PolarHBondContact OG1-N 3.19Å; T406-R410 PolarHBondContact O-N 3.41Å; T406-R410 VanDerWaalsContact O-N 3.16Å
407	E	87.4	Confident	92	Very high	104 Å²	104	60.7 Å²	60.7	49%	0.486	30%	0.299	S	S	.	.	H	α-helix	trans	-64.1	-34.3	-179.4	-162.3	-168	152.7	0	0	111.9	R410 K411	E407-R410 PolarHBondContact O-N 2.98Å; E407-R410 IonicContact OE1-NH2 3.34Å; E407-K411 WeakPolarHBondContact O-CG 3.35Å; E407-K411 PolarHBondContact O-N 3.32Å; E407-K411 WeakPolarHBondContact OE1-CE 3.36Å; E407-K411 IonicContact OE1-NZ 2.83Å; E407-K411 PolarHBondContact OE1-NZ 2.98Å
408	E	91.8	Very high	91.8	Very high	131 Å²	131	57.5 Å²	57.5	61%	0.612	29%	0.293	S	S	*	.	H	α-helix	trans	-64.8	-41.7	176.4	-59.4	78.4	-170	0	0	111.7	T406 R410 K411 K412	T406-E408 VanDerWaalsContact C-N 3.27Å; T406-E408 WeakPolarHBondContact CB-OE2 3.15Å; T406-E408 PolarHBondContact O-N 2.88Å; T406-E408 PolarHBondContact OG1-OE2 3.15Å; E408-R410 VanDerWaalsContact C-N 3.34Å; E408-K411 PolarHBondContact O-N 2.9Å; E408-K412 WeakPolarHBondContact O-CB 3.04Å; E408-K412 PolarHBondContact O-N 3.4Å
409	S	90.2	Very high	91.7	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.014	31%	0.305	C	S	.	.	H	α-helix	trans	-62.8	-43.1	177.5	162.2	0	0	0	0	111.5	S401 M402 V403 T404 T406 K412 Y413	S401-S409 WeakPolarHBondContact O-CA 3.45Å; S401-S409 VanDerWaalsContact O-CB 3.26Å; S401-S409 WeakPolarHBondContact O-CB 3.42Å; S401-S409 PolarHBondContact O-OG 3.33Å; M402-S409 WeakPolarHBondContact CA-OG 3.4Å; M402-S409 PolarHBondContact O-OG 3.33Å; V403-S409 PolarHBondContact N-OG 3.31Å; T404-S409 PolarHBondContact N-OG 2.8Å; T404-S409 VanDerWaalsContact N-OG 3.13Å; T404-S409 VanDerWaalsContact O-CB 3.31Å; T404-S409 WeakPolarHBondContact O-CB 3.37Å; T404-S409 PolarHBondContact O-OG 3.42Å; T404-S409 WeakPolarHBondContact OG1-CB 3.35Å; T404-S409 PolarHBondContact OG1-OG 3.24Å; T406-S409 PolarHBondContact O-N 3.4Å; T406-S409 PolarHBondContact OG1-N 3.19Å; S409-K412 PolarHBondContact O-N 2.8Å; S409-Y413 PolarHBondContact O-N 3.22Å
410	R	85.9	Confident	91.6	Very high	69 Å²	69	60.1 Å²	60.1	26%	0.26	31%	0.314	S	S	.	.	H	α-helix	trans	-60.7	-48.7	173	-176.1	-174.9	62.7	80.4	-0.2	112.2	E211 T406 E407 E408 K412 Y413 L414	E211-R410 WeakPolarHBondContact OE1-CD 3.13Å; E211-R410 WeakPolarHBondContact OE2-CD 3.39Å; T406-R410 PolarHBondContact O-N 3.41Å; T406-R410 VanDerWaalsContact O-N 3.16Å; E407-R410 PolarHBondContact O-N 2.98Å; E407-R410 IonicContact OE1-NH2 3.34Å; E408-R410 VanDerWaalsContact C-N 3.34Å; R410-K412 PolarHBondContact O-N 2.77Å; R410-Y413 PolarHBondContact O-N 3.29Å; R410-L414 HydrophobicContact CG-CD1 4.13Å; R410-L414 WeakPolarHBondContact O-CG 3.34Å; R410-L414 PolarHBondContact O-N 3.42Å
411	K	92.1	Very high	91.7	Very high	113 Å²	113	59.5 Å²	59.5	49%	0.491	31%	0.311	S	S	.	.	H	α-helix	trans	-58	-39.5	177	-77.1	174.3	-177.5	161.9	0	111.4	E407 E408 S415	E407-K411 WeakPolarHBondContact O-CG 3.35Å; E407-K411 PolarHBondContact O-N 3.32Å; E407-K411 WeakPolarHBondContact OE1-CE 3.36Å; E407-K411 IonicContact OE1-NZ 2.83Å; E407-K411 PolarHBondContact OE1-NZ 2.98Å; E408-K411 PolarHBondContact O-N 2.9Å; K411-S415 WeakPolarHBondContact O-CB 3.32Å; K411-S415 PolarHBondContact O-N 3.18Å; K411-S415 PolarHBondContact O-OG 2.93Å; K411-S415 VanDerWaalsContact O-OG 3.06Å
412	K	94.8	Very high	91.7	Very high	69 Å²	69	58.7 Å²	58.7	30%	0.3	30%	0.302	S	S	.	.	H	α-helix	trans	-69.9	-42.2	178	-169.1	174.6	178.2	169.7	0	112.6	S401 M402 E408 S409 R410 S415 W416	S401-K412 VanDerWaalsContact OG-CD 3.26Å; S401-K412 WeakPolarHBondContact OG-CD 3.44Å; S401-K412 VanDerWaalsContact OG-CE 3.25Å; S401-K412 WeakPolarHBondContact OG-CE 3.37Å; S401-K412 PolarHBondContact OG-NZ 2.7Å; M402-K412 HydrophobicContact CG-CB 4.04Å; M402-K412 HydrophobicContact CG-CD 3.91Å; M402-K412 HydrophobicContact CG-CG 3.69Å; M402-K412 HydrophobicContact SD-CG 4.21Å; E408-K412 WeakPolarHBondContact O-CB 3.04Å; E408-K412 PolarHBondContact O-N 3.4Å; S409-K412 PolarHBondContact O-N 2.8Å; R410-K412 PolarHBondContact O-N 2.77Å; K412-S415 PolarHBondContact O-N 3.44Å; K412-S415 PolarHBondContact O-OG 3.43Å; K412-W416 WeakPolarHBondContact O-CB 3.34Å; K412-W416 PolarHBondContact O-N 3.3Å
413	Y	93.2	Very high	91.9	Very high	19 Å²	19	58.7 Å²	58.7	8%	0.075	30%	0.302	C	S	.	.	H	α-helix	trans	-59.2	-50.1	173.1	170.3	-100.2	0	0	0	111.2	P378 M380 I383 S409 R410 S415 I417 V418	P378-Y413 PolarHBondContact O-OH 2.87Å; M380-Y413 HydrophobicContact CG-CD1 4.2Å; M380-Y413 HydrophobicContact CG-CD2 3.86Å; M380-Y413 HydrophobicContact CG-CE1 4.11Å; M380-Y413 HydrophobicContact CG-CE2 3.76Å; M380-Y413 HydrophobicContact CG-CG 4.08Å; M380-Y413 HydrophobicContact SD-CD1 4.43Å; I383-Y413 HydrophobicContact CD1-CD2 3.76Å; I383-Y413 HydrophobicContact CD1-CE2 3.69Å; S409-Y413 PolarHBondContact O-N 3.22Å; R410-Y413 PolarHBondContact O-N 3.29Å; Y413-S415 VanDerWaalsContact C-N 3.33Å; Y413-S415 PolarHBondContact O-N 3.16Å; Y413-I417 HydrophobicContact CD2-CB 3.98Å; Y413-I417 HydrophobicContact CD2-CG1 3.83Å; Y413-I417 HydrophobicContact CD2-CG2 4.38Å; Y413-I417 HydrophobicContact CE2-CB 3.97Å; Y413-I417 HydrophobicContact CE2-CG1 4.1Å; Y413-I417 HydrophobicContact CE2-CG2 3.85Å; Y413-I417 WeakPolarHBondContact O-CA 3.22Å; Y413-I417 VanDerWaalsContact O-CB 3.28Å; Y413-I417 WeakPolarHBondContact O-CB 3.38Å; Y413-I417 PolarHBondContact O-N 3.27Å; Y413-V418 HydrophobicContact CD1-CG2 4.29Å; Y413-V418 HydrophobicContact CE1-CG2 3.7Å; Y413-V418 PolarHBondContact O-N 3.12Å
414	L	92.4	Very high	92.3	Very high	61 Å²	61	57.1 Å²	57.1	32%	0.319	29%	0.293	S	S	.	.	I	π-helix	trans	-62.2	-39	-179.4	-69.3	174.5	0	0	0	112.4	R410 V418 A419	R410-L414 HydrophobicContact CG-CD1 4.13Å; R410-L414 WeakPolarHBondContact O-CG 3.34Å; R410-L414 PolarHBondContact O-N 3.42Å; L414-V418 HydrophobicContact CD2-CG2 4.21Å; L414-V418 WeakPolarHBondContact O-CB 3.45Å; L414-V418 PolarHBondContact O-N 3.41Å; L414-A419 WeakPolarHBondContact O-CB 3.32Å; L414-A419 PolarHBondContact O-N 3.31Å
415	S	95	Very high	92.8	Very high	64 Å²	64	54.1 Å²	54.1	45%	0.448	27%	0.274	S	S	.	.	I	π-helix	trans	-76	-51.4	178	63.3	0	0	0	0	112.6	K411 K412 Y413 D420	K411-S415 WeakPolarHBondContact O-CB 3.32Å; K411-S415 PolarHBondContact O-N 3.18Å; K411-S415 PolarHBondContact O-OG 2.93Å; K411-S415 VanDerWaalsContact O-OG 3.06Å; K412-S415 PolarHBondContact O-N 3.44Å; K412-S415 PolarHBondContact O-OG 3.43Å; Y413-S415 VanDerWaalsContact C-N 3.33Å; Y413-S415 PolarHBondContact O-N 3.16Å; S415-D420 PolarHBondContact O-N 3.03Å
416	W	96.2	Very high	93.6	Very high	44 Å²	44	47.6 Å²	47.6	17%	0.167	24%	0.242	C	C	.	.	I	π-helix	trans	-81	-30.4	-169.9	-165	80.6	0	0	0	113.5	V398 L399 M402 K412 D420 R422 I427 L431	V398-W416 HydrophobicContact CG1-CZ2 4.31Å; L399-W416 HydrophobicContact CD2-CH2 4.41Å; L399-W416 HydrophobicContact CD2-CZ3 4.05Å; M402-W416 HydrophobicContact CE-CD2 4.34Å; M402-W416 HydrophobicContact CE-CE3 3.43Å; M402-W416 VanDerWaalsContact CE-CE3 3.43Å; M402-W416 HydrophobicContact CE-CZ3 3.68Å; M402-W416 HydrophobicContact SD-CB 4.04Å; M402-W416 HydrophobicContact SD-CD2 4.24Å; M402-W416 HydrophobicContact SD-CE3 3.67Å; M402-W416 HydrophobicContact SD-CG 4.42Å; K412-W416 WeakPolarHBondContact O-CB 3.34Å; K412-W416 PolarHBondContact O-N 3.3Å; W416-D420 WeakPolarHBondContact O-CB 3.4Å; W416-R422 VanDerWaalsContact CE2-CZ 3.46Å; W416-R422 WeakPolarHBondContact O-CD 3.44Å; W416-R422 WeakPolarHBondContact O-CG 3.46Å; W416-R422 PolarHBondContact O-NE 2.65Å; W416-I427 HydrophobicContact CH2-CG1 4.4Å; W416-I427 HydrophobicContact CZ3-CG1 4.09Å; W416-L431 HydrophobicContact CH2-CD1 3.82Å; W416-L431 HydrophobicContact CH2-CG 4.09Å; W416-L431 HydrophobicContact CZ2-CD1 4.47Å; W416-L431 HydrophobicContact CZ2-CG 4.43Å
417	I	95.4	Very high	94.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.223	C	C	.	.	I	π-helix	trans	-98.2	-58.4	178.8	-61.5	-68.8	0	0	0	111	P377 I383 M402 Y413 Q421 R422 I427	P377-I417 HydrophobicContact CB-CG2 3.73Å; I383-I417 HydrophobicContact CD1-CD1 3.91Å; I383-I417 HydrophobicContact CD1-CG1 3.77Å; M402-I417 HydrophobicContact CE-CD1 4.32Å; M402-I417 HydrophobicContact CE-CG1 4.28Å; M402-I417 HydrophobicContact SD-CG1 3.97Å; Y413-I417 HydrophobicContact CD2-CB 3.98Å; Y413-I417 HydrophobicContact CD2-CG1 3.83Å; Y413-I417 HydrophobicContact CD2-CG2 4.38Å; Y413-I417 HydrophobicContact CE2-CB 3.97Å; Y413-I417 HydrophobicContact CE2-CG1 4.1Å; Y413-I417 HydrophobicContact CE2-CG2 3.85Å; Y413-I417 WeakPolarHBondContact O-CA 3.22Å; Y413-I417 VanDerWaalsContact O-CB 3.28Å; Y413-I417 WeakPolarHBondContact O-CB 3.38Å; Y413-I417 PolarHBondContact O-N 3.27Å; I417-Q421 WeakPolarHBondContact O-CA 3.2Å; I417-Q421 PolarHBondContact O-N 3.37Å; I417-R422 HydrophobicContact CD1-CB 4.4Å; I417-R422 PolarHBondContact O-N 3.19Å; I417-I427 HydrophobicContact CD1-CD1 3.61Å; I417-I427 HydrophobicContact CD1-CG1 4.05Å
418	V	93	Very high	94.6	Very high	61 Å²	61	39.5 Å²	39.5	37%	0.37	20%	0.2	S	C	.	.	I	π-helix	trans	-77	-55.4	-168.1	-178.3	0	0	0	0	111.3	Y413 L414 Q421	Y413-V418 HydrophobicContact CD1-CG2 4.29Å; Y413-V418 HydrophobicContact CE1-CG2 3.7Å; Y413-V418 PolarHBondContact O-N 3.12Å; L414-V418 HydrophobicContact CD2-CG2 4.21Å; L414-V418 WeakPolarHBondContact O-CB 3.45Å; L414-V418 PolarHBondContact O-N 3.41Å; V418-Q421 WeakPolarHBondContact O-CG 3.12Å; V418-Q421 PolarHBondContact O-N 3.49Å; V418-Q421 VanDerWaalsContact O-N 3.09Å
419	A	94.9	Very high	94.9	Very high	59 Å²	59	36 Å²	36	49%	0.488	19%	0.185	S	C	.	.	I	π-helix	trans	-65.7	-43	-177.9	0	0	0	0	0	111.8	L414 Q421 P478	L414-A419 WeakPolarHBondContact O-CB 3.32Å; L414-A419 PolarHBondContact O-N 3.31Å; A419-Q421 PolarHBondContact O-N 2.68Å; A419-P478 WeakPolarHBondContact O-CG 3.44Å
420	D	96.5	Very high	95.2	Very high	35 Å²	35	38.6 Å²	38.6	19%	0.187	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-11.8	173.7	-88.5	2.7	0	0	0	113.9	S415 W416 R422 L479	S415-D420 PolarHBondContact O-N 3.03Å; W416-D420 WeakPolarHBondContact O-CB 3.4Å; D420-R422 HydrophobicContact CB-CG 4Å; D420-R422 PolarHBondContact O-N 2.74Å; D420-R422 IonicContact OD2-CZ 2.86Å; D420-R422 IonicContact OD2-NE 2.66Å; D420-R422 PolarHBondContact OD2-NE 3.39Å; D420-R422 IonicContact OD2-NH2 2.91Å; D420-R422 PolarHBondContact OD2-NH2 2.91Å; D420-L479 HydrophobicContact CB-CD1 4.01Å; D420-L479 HydrophobicContact CB-CG 4.21Å
421	Q	95.7	Very high	95.8	Very high	71 Å²	71	35.9 Å²	35.9	33%	0.332	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	50.1	-179.5	-59.1	172.6	-8.5	0	0	112.9	I417 V418 A419 T477 R483	I417-Q421 WeakPolarHBondContact O-CA 3.2Å; I417-Q421 PolarHBondContact O-N 3.37Å; V418-Q421 WeakPolarHBondContact O-CG 3.12Å; V418-Q421 PolarHBondContact O-N 3.49Å; V418-Q421 VanDerWaalsContact O-N 3.09Å; A419-Q421 PolarHBondContact O-N 2.68Å; Q421-T477 HydrophobicContact CB-CG2 4.1Å; Q421-R483 PolarHBondContact O-NH2 3.31Å
422	R	97	Very high	96	Very high	21 Å²	21	33.6 Å²	33.6	8%	0.079	19%	0.186	C	C	.	.			trans	-83.8	117.9	176.5	-61.4	-174.6	-169.3	-116.3	-15.2	110.1	P377 P378 W416 I417 D420 D426 I427 D430 L479	P377-R422 WeakPolarHBondContact CA-O 3.25Å; P378-R422 WeakPolarHBondContact CD-O 3.44Å; W416-R422 VanDerWaalsContact CE2-CZ 3.46Å; W416-R422 WeakPolarHBondContact O-CD 3.44Å; W416-R422 WeakPolarHBondContact O-CG 3.46Å; W416-R422 PolarHBondContact O-NE 2.65Å; I417-R422 HydrophobicContact CD1-CB 4.4Å; I417-R422 PolarHBondContact O-N 3.19Å; D420-R422 HydrophobicContact CB-CG 4Å; D420-R422 PolarHBondContact O-N 2.74Å; D420-R422 IonicContact OD2-CZ 2.86Å; D420-R422 IonicContact OD2-NE 2.66Å; D420-R422 PolarHBondContact OD2-NE 3.39Å; D420-R422 IonicContact OD2-NH2 2.91Å; D420-R422 PolarHBondContact OD2-NH2 2.91Å; R422-D426 HydrophobicContact CB-CB 4.1Å; R422-D426 HydrophobicContact CG-CB 4.42Å; R422-I427 HydrophobicContact CB-CG1 4.49Å; R422-D430 IonicContact CZ-OD2 3.9Å; R422-D430 IonicContact NH1-OD2 3.16Å; R422-D430 PolarHBondContact NH1-OD2 2.83Å; R422-L479 HydrophobicContact CG-CD1 4Å; R422-L479 VanDerWaalsContact CZ-CD1 3.47Å
423	G	96.2	Very high	96.2	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.176	C	C	.	.			trans	-83.1	177.3	164.5	0	0	0	0	0	111.1	L425 D426 I427	G423-L425 VanDerWaalsContact C-N 3.28Å; G423-L425 PolarHBondContact O-N 3.06Å; G423-D426 WeakPolarHBondContact CA-OD2 3.26Å; G423-D426 PolarHBondContact N-OD2 3.43Å; G423-D426 WeakPolarHBondContact O-CB 3.38Å; G423-D426 PolarHBondContact O-N 3.42Å; G423-I427 PolarHBondContact O-N 3.09Å; G423-I427 VanDerWaalsContact O-N 3.15Å
424	I	97.4	Very high	96.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-58	-38.1	-179.4	-171.9	58.9	0	0	0	113.1	F331 I386 D426 I427 M428 L441 L445	F331-I424 HydrophobicContact CE1-CG2 4.34Å; F331-I424 HydrophobicContact CZ-CG2 3.84Å; I386-I424 HydrophobicContact CD1-CD1 3.74Å; I424-D426 VanDerWaalsContact C-N 3.29Å; I424-D426 PolarHBondContact O-N 2.67Å; I424-I427 PolarHBondContact O-N 3.11Å; I424-M428 HydrophobicContact CG1-CE 4.39Å; I424-M428 PolarHBondContact O-N 3.42Å; I424-M428 VanDerWaalsContact O-N 3.12Å; I424-L441 HydrophobicContact CD1-CD2 3.95Å; I424-L441 HydrophobicContact CG1-CD1 4.09Å; I424-L441 HydrophobicContact CG1-CD2 3.93Å; I424-L445 HydrophobicContact CB-CD2 4.38Å; I424-L445 HydrophobicContact CG2-CD1 4.15Å; I424-L445 HydrophobicContact CG2-CD2 4.31Å
425	L	97.1	Very high	96.6	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-37.9	175	-79.2	173.4	0	0	0	111.8	L327 K330 F331 L334 G423 M428 I429	L327-L425 HydrophobicContact CB-CD1 3.99Å; L327-L425 HydrophobicContact CD2-CD1 4.1Å; L327-L425 WeakPolarHBondContact O-CD1 3.4Å; K330-L425 HydrophobicContact CB-CD1 4.36Å; K330-L425 HydrophobicContact CB-CD2 3.89Å; F331-L425 HydrophobicContact CD1-CD2 4.27Å; F331-L425 HydrophobicContact CD2-CD1 4.26Å; F331-L425 HydrophobicContact CD2-CD2 3.66Å; F331-L425 HydrophobicContact CD2-CG 4.17Å; F331-L425 HydrophobicContact CE1-CD2 4.2Å; F331-L425 HydrophobicContact CE2-CD1 3.75Å; F331-L425 HydrophobicContact CE2-CD2 3.56Å; F331-L425 HydrophobicContact CE2-CG 3.57Å; F331-L425 HydrophobicContact CG-CD2 4.03Å; F331-L425 HydrophobicContact CZ-CD1 4.44Å; F331-L425 HydrophobicContact CZ-CD2 3.86Å; F331-L425 HydrophobicContact CZ-CG 3.81Å; L334-L425 HydrophobicContact CD1-CD2 3.8Å; G423-L425 VanDerWaalsContact C-N 3.28Å; G423-L425 PolarHBondContact O-N 3.06Å; L425-M428 HydrophobicContact CD2-CE 3.86Å; L425-M428 PolarHBondContact O-N 3.37Å; L425-I429 WeakPolarHBondContact O-CB 3.34Å; L425-I429 WeakPolarHBondContact O-CD1 3.41Å; L425-I429 WeakPolarHBondContact O-CG1 3.49Å; L425-I429 PolarHBondContact O-N 2.91Å
426	D	97.4	Very high	96.7	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.032	16%	0.157	C	C	.	.	H	α-helix	trans	-72.3	-35.1	-178	-49.6	-76.8	0	0	0	111.5	R422 G423 I424 I429 D430 R481 R483	R422-D426 HydrophobicContact CB-CB 4.1Å; R422-D426 HydrophobicContact CG-CB 4.42Å; G423-D426 WeakPolarHBondContact CA-OD2 3.26Å; G423-D426 PolarHBondContact N-OD2 3.43Å; G423-D426 WeakPolarHBondContact O-CB 3.38Å; G423-D426 PolarHBondContact O-N 3.42Å; I424-D426 VanDerWaalsContact C-N 3.29Å; I424-D426 PolarHBondContact O-N 2.67Å; D426-I429 PolarHBondContact O-N 2.85Å; D426-D430 VanDerWaalsContact O-CB 3.3Å; D426-D430 WeakPolarHBondContact O-CB 3.36Å; D426-D430 VanDerWaalsContact O-CG 3.28Å; D426-D430 PolarHBondContact O-N 3.35Å; D426-R481 WeakPolarHBondContact OD1-CD 3.28Å; D426-R481 IonicContact OD1-CZ 2.57Å; D426-R481 IonicContact OD1-NE 2.97Å; D426-R481 PolarHBondContact OD1-NE 2.95Å; D426-R481 IonicContact OD1-NH1 3.31Å; D426-R481 PolarHBondContact OD1-NH1 3.48Å; D426-R483 IonicContact OD1-CZ 2.6Å; D426-R483 IonicContact OD1-NH1 3.83Å; D426-R483 PolarHBondContact OD1-NH1 3.17Å; D426-R483 IonicContact OD1-NH2 3.79Å; D426-R483 PolarHBondContact OD1-NH2 3.07Å; D426-R483 VanDerWaalsContact OD1-NH2 3.17Å; D426-R483 IonicContact OD2-CZ 3.48Å; D426-R483 IonicContact OD2-NH1 3.21Å; D426-R483 PolarHBondContact OD2-NH1 2.57Å; D426-R483 IonicContact OD2-NH2 3.58Å; D426-R483 PolarHBondContact OD2-NH2 3.31Å
427	I	97.7	Very high	96.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.2	-48.2	170.4	-61.6	178.9	0	0	0	110.3	P378 I386 L399 W416 I417 R422 G423 I424 I429 D430 L431	P378-I427 HydrophobicContact CG-CD1 3.45Å; P378-I427 VanDerWaalsContact CG-CD1 3.45Å; I386-I427 HydrophobicContact CD1-CG2 4.28Å; L399-I427 HydrophobicContact CD1-CG2 4.4Å; L399-I427 HydrophobicContact CD2-CG2 4.1Å; W416-I427 HydrophobicContact CH2-CG1 4.4Å; W416-I427 HydrophobicContact CZ3-CG1 4.09Å; I417-I427 HydrophobicContact CD1-CD1 3.61Å; I417-I427 HydrophobicContact CD1-CG1 4.05Å; R422-I427 HydrophobicContact CB-CG1 4.49Å; G423-I427 PolarHBondContact O-N 3.09Å; G423-I427 VanDerWaalsContact O-N 3.15Å; I424-I427 PolarHBondContact O-N 3.11Å; I427-I429 VanDerWaalsContact C-N 3.29Å; I427-I429 PolarHBondContact O-N 3.22Å; I427-D430 PolarHBondContact O-N 3.49Å; I427-L431 HydrophobicContact CG2-CD1 4.12Å; I427-L431 WeakPolarHBondContact O-CA 3.34Å; I427-L431 WeakPolarHBondContact O-CB 3.19Å; I427-L431 PolarHBondContact O-N 3.47Å
428	M	97.8	Very high	96.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-69.4	-24.8	179.3	-65.7	-173.9	-62.1	0	0	113.5	F331 L334 L335 I424 L425 P436 L441	F331-M428 HydrophobicContact CD1-CE 3.94Å; F331-M428 HydrophobicContact CE1-CE 3.71Å; F331-M428 HydrophobicContact CZ-CE 4.45Å; L334-M428 HydrophobicContact CD1-CB 4.1Å; L334-M428 HydrophobicContact CD1-CE 4.34Å; L335-M428 HydrophobicContact CD2-SD 3.93Å; L335-M428 HydrophobicContact CG-SD 4.43Å; I424-M428 HydrophobicContact CG1-CE 4.39Å; I424-M428 PolarHBondContact O-N 3.42Å; I424-M428 VanDerWaalsContact O-N 3.12Å; L425-M428 HydrophobicContact CD2-CE 3.86Å; L425-M428 PolarHBondContact O-N 3.37Å; M428-P436 HydrophobicContact SD-CG 4.12Å; M428-L441 HydrophobicContact CE-CD1 4.29Å; M428-L441 HydrophobicContact SD-CD1 4.18Å
429	I	97	Very high	97.1	Very high	59 Å²	59	27.5 Å²	27.5	30%	0.303	15%	0.149	S	C	.	.	H	α-helix	trans	-74.9	-43.6	172.7	-71.4	162.7	0	0	0	110.6	L334 L425 D426 I427	L334-I429 HydrophobicContact CD1-CD1 4.5Å; L334-I429 HydrophobicContact CD1-CG1 3.86Å; L334-I429 HydrophobicContact CD2-CG1 4.31Å; L425-I429 WeakPolarHBondContact O-CB 3.34Å; L425-I429 WeakPolarHBondContact O-CD1 3.41Å; L425-I429 WeakPolarHBondContact O-CG1 3.49Å; L425-I429 PolarHBondContact O-N 2.91Å; D426-I429 PolarHBondContact O-N 2.85Å; I427-I429 VanDerWaalsContact C-N 3.29Å; I427-I429 PolarHBondContact O-N 3.22Å
430	D	97.2	Very high	97.1	Very high	56 Å²	56	24.9 Å²	24.9	30%	0.299	13%	0.127	S	C	.	.	H	α-helix	trans	-86.4	-20.2	-173.2	-67.2	-13.2	0	0	0	113.2	R422 D426 I427 R481	R422-D430 IonicContact CZ-OD2 3.9Å; R422-D430 IonicContact NH1-OD2 3.16Å; R422-D430 PolarHBondContact NH1-OD2 2.83Å; D426-D430 VanDerWaalsContact O-CB 3.3Å; D426-D430 WeakPolarHBondContact O-CB 3.36Å; D426-D430 VanDerWaalsContact O-CG 3.28Å; D426-D430 PolarHBondContact O-N 3.35Å; I427-D430 PolarHBondContact O-N 3.49Å; D430-R481 IonicContact OD1-CZ 2.84Å; D430-R481 IonicContact OD1-NH2 3.76Å; D430-R481 PolarHBondContact OD1-NH2 3.38Å; D430-R481 IonicContact OD2-CZ 2.74Å; D430-R481 IonicContact OD2-NH2 2.73Å; D430-R481 PolarHBondContact OD2-NH2 3.38Å
431	L	97.8	Very high	97.2	Very high	12 Å²	12	23.2 Å²	23.2	6%	0.063	12%	0.119	C	C	.	.	S	Bend	trans	-122.1	77.8	171.2	-53.9	179.3	0	0	0	108.7	E395 V398 L399 W416 I427 S433 C434	E395-L431 HydrophobicContact CB-CB 4.21Å; E395-L431 HydrophobicContact CB-CD2 4Å; E395-L431 HydrophobicContact CG-CB 4.25Å; E395-L431 HydrophobicContact CG-CD2 3.85Å; E395-L431 VanDerWaalsContact OE2-CA 3.25Å; E395-L431 WeakPolarHBondContact OE2-CA 2.96Å; E395-L431 WeakPolarHBondContact OE2-CB 3.32Å; V398-L431 HydrophobicContact CG1-CD1 4.42Å; V398-L431 HydrophobicContact CG1-CD2 4.49Å; L399-L431 HydrophobicContact CD1-CD1 4.09Å; L399-L431 HydrophobicContact CD2-CD1 3.52Å; L399-L431 HydrophobicContact CG-CD1 3.59Å; W416-L431 HydrophobicContact CH2-CD1 3.82Å; W416-L431 HydrophobicContact CH2-CG 4.09Å; W416-L431 HydrophobicContact CZ2-CD1 4.47Å; W416-L431 HydrophobicContact CZ2-CG 4.43Å; I427-L431 HydrophobicContact CG2-CD1 4.12Å; I427-L431 WeakPolarHBondContact O-CA 3.34Å; I427-L431 WeakPolarHBondContact O-CB 3.19Å; I427-L431 PolarHBondContact O-N 3.47Å; L431-S433 PolarHBondContact O-N 3.18Å; L431-C434 HydrophobicContact CB-CB 4.2Å; L431-C434 VanDerWaalsContact O-CB 3.22Å; L431-C434 WeakPolarHBondContact O-CB 3.49Å; L431-C434 PolarHBondContact O-N 2.88Å
432	P	97.1	Very high	97.3	Very high	64 Å²	64	20 Å²	20	42%	0.416	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.7	-172.6	-28.3	36	0	0	0	115.8	E395 C434 R435	E395-P432 VanDerWaalsContact OE1-CD 3.32Å; E395-P432 WeakPolarHBondContact OE1-CD 3.49Å; P432-C434 VanDerWaalsContact C-N 3.29Å; P432-R435 PolarHBondContact O-NE 3.5Å; P432-R435 PolarHBondContact O-NH2 3.03Å
433	S	97.8	Very high	97.2	Very high	14 Å²	14	20.1 Å²	20.1	10%	0.098	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-15.9	175.9	84.5	0	0	0	0	113.3	H389 S391 D392 E395 L431 R435	H389-S433 VanDerWaalsContact O-O 3.07Å; S391-S433 PolarHBondContact N-O 3.06Å; S391-S433 WeakPolarHBondContact OG-CB 3.25Å; D392-S433 WeakPolarHBondContact CB-OG 3.37Å; D392-S433 PolarHBondContact N-OG 2.79Å; D392-S433 VanDerWaalsContact N-OG 3.15Å; E395-S433 WeakPolarHBondContact OE2-CA 3.5Å; E395-S433 WeakPolarHBondContact OE2-CB 3.41Å; E395-S433 PolarHBondContact OE2-N 2.83Å; E395-S433 PolarHBondContact OE2-OG 3.31Å; L431-S433 PolarHBondContact O-N 3.18Å; S433-R435 PolarHBondContact O-N 3.09Å
434	C	97.9	Very high	97	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-76.8	100	176.5	-169.8	0	0	0	0	110.2	C390 L431 P432 P436	C390-C434 VanDerWaalsContact SG-CB 3.59Å; C390-C434 VanDerWaalsContact SG-SG 3.61Å; L431-C434 HydrophobicContact CB-CB 4.2Å; L431-C434 VanDerWaalsContact O-CB 3.22Å; L431-C434 WeakPolarHBondContact O-CB 3.49Å; L431-C434 PolarHBondContact O-N 2.88Å; P432-C434 VanDerWaalsContact C-N 3.29Å; C434-P436 VanDerWaalsContact C-CD 3.47Å
435	R	97.4	Very high	96.9	Very high	112 Å²	112	21.8 Å²	21.8	42%	0.423	11%	0.114	S	C	.	.			trans	-128.3	66.2	-176.7	-60.2	-72	170.8	134.6	-1.8	111	L334 L335 H389 P432 S433	L334-R435 VanDerWaalsContact C-NH1 3.26Å; L334-R435 WeakPolarHBondContact O-CD 3.39Å; L334-R435 PolarHBondContact O-NE 3.12Å; L334-R435 PolarHBondContact O-NH1 2.91Å; L335-R435 HydrophobicContact CD2-CB 4.37Å; H389-R435 PolarHBondContact O-N 2.89Å; P432-R435 PolarHBondContact O-NE 3.5Å; P432-R435 PolarHBondContact O-NH2 3.03Å; S433-R435 PolarHBondContact O-N 3.09Å
436	P	97.1	Very high	96.7	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.013	13%	0.127	C	C	.	.			trans	-65.5	144.6	178.5	28.6	-35	0	0	0	111.2	L335 I386 H389 M428 C434 L438 L441	L335-P436 WeakPolarHBondContact CD2-O 3.45Å; I386-P436 HydrophobicContact CB-CB 4.24Å; I386-P436 HydrophobicContact CB-CG 4.33Å; I386-P436 HydrophobicContact CG2-CB 3.87Å; I386-P436 HydrophobicContact CG2-CG 3.99Å; H389-P436 HydrophobicContact CB-CB 4.05Å; M428-P436 HydrophobicContact SD-CG 4.12Å; C434-P436 VanDerWaalsContact C-CD 3.47Å; P436-L438 PolarHBondContact O-N 3.13Å; P436-L441 HydrophobicContact CB-CD2 4.11Å; P436-L441 HydrophobicContact CB-CG 4.25Å; P436-L441 HydrophobicContact CG-CD1 3.93Å; P436-L441 HydrophobicContact CG-CD2 3.72Å; P436-L441 HydrophobicContact CG-CG 3.89Å
437	P	96.9	Very high	96.4	Very high	48 Å²	48	27.2 Å²	27.2	31%	0.312	14%	0.14	S	C	.	.			trans	-54	136	171.3	-25.1	34	0	0	0	111.2	H389 D439 L440 L441	H389-P437 VanDerWaalsContact CE1-CD 3.43Å; H389-P437 WeakPolarHBondContact CE1-CD 3.33Å; H389-P437 WeakPolarHBondContact ND1-CD 3.3Å; P437-D439 VanDerWaalsContact C-N 3.27Å; P437-D439 WeakPolarHBondContact CB-OD1 3.25Å; P437-D439 PolarHBondContact O-N 2.89Å; P437-L440 HydrophobicContact CB-CB 4.33Å; P437-L440 WeakPolarHBondContact O-CB 3.38Å; P437-L440 PolarHBondContact O-N 3.46Å; P437-L440 VanDerWaalsContact O-N 3.07Å; P437-L441 PolarHBondContact O-N 2.92Å
438	L	97.7	Very high	96.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.4	-34.3	-174.8	-179.3	54.6	0	0	0	112.1	F331 L335 I337 L339 Y364 L368 P436 L440 L441 L442	F331-L438 HydrophobicContact CD1-CD1 3.78Å; F331-L438 HydrophobicContact CE1-CD1 4.26Å; F331-L438 HydrophobicContact CG-CD1 4.46Å; L335-L438 HydrophobicContact CD1-CB 3.89Å; L335-L438 HydrophobicContact CD1-CD1 4.09Å; L335-L438 HydrophobicContact CD1-CG 4.47Å; I337-L438 HydrophobicContact CD1-CB 3.51Å; I337-L438 HydrophobicContact CD1-CD2 4.33Å; I337-L438 HydrophobicContact CG2-CD2 4.4Å; L339-L438 HydrophobicContact CD2-CD2 4.23Å; Y364-L438 HydrophobicContact CD1-CB 4.3Å; Y364-L438 HydrophobicContact CD1-CD2 3.36Å; Y364-L438 HydrophobicContact CD1-CG 3.65Å; Y364-L438 HydrophobicContact CD2-CD2 4.5Å; Y364-L438 HydrophobicContact CE1-CB 4Å; Y364-L438 HydrophobicContact CE1-CD2 3.91Å; Y364-L438 HydrophobicContact CE1-CG 3.84Å; Y364-L438 HydrophobicContact CG-CD2 3.71Å; Y364-L438 HydrophobicContact CG-CG 4.48Å; L368-L438 HydrophobicContact CD1-CD1 4.23Å; L368-L438 HydrophobicContact CD1-CD2 4.05Å; L368-L438 HydrophobicContact CD2-CD1 4.12Å; L368-L438 HydrophobicContact CG-CD1 4.46Å; P436-L438 PolarHBondContact O-N 3.13Å; L438-L440 VanDerWaalsContact C-N 3.29Å; L438-L440 PolarHBondContact O-N 2.82Å; L438-L441 HydrophobicContact CD1-CB 4.46Å; L438-L441 HydrophobicContact CD1-CD1 4.48Å; L438-L441 PolarHBondContact O-N 2.89Å; L438-L442 HydrophobicContact CD1-CG 4.3Å; L438-L442 HydrophobicContact CG-CD1 4.36Å; L438-L442 HydrophobicContact CG-CG 4.34Å; L438-L442 WeakPolarHBondContact O-CB 3.21Å; L438-L442 VanDerWaalsContact O-CG 3.27Å; L438-L442 WeakPolarHBondContact O-CG 3.41Å; L438-L442 PolarHBondContact O-N 3.18Å
439	D	97	Very high	95.9	Very high	14 Å²	14	31.6 Å²	31.6	8%	0.075	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-34.8	174	62.2	-58	0	0	0	113	R240 L244 L345 P437 L442 E443	R240-D439 IonicContact CZ-OD2 3.83Å; R240-D439 IonicContact NH1-OD2 2.87Å; R240-D439 PolarHBondContact NH1-OD2 3.06Å; R240-D439 IonicContact NH2-OD2 3.81Å; R240-D439 PolarHBondContact NH2-OD2 3.31Å; L244-D439 HydrophobicContact CD1-CB 4.05Å; L244-D439 HydrophobicContact CD2-CB 4.09Å; L244-D439 HydrophobicContact CG-CB 4.44Å; L345-D439 HydrophobicContact CD2-CB 4Å; P437-D439 VanDerWaalsContact C-N 3.27Å; P437-D439 WeakPolarHBondContact CB-OD1 3.25Å; P437-D439 PolarHBondContact O-N 2.89Å; D439-L442 PolarHBondContact O-N 2.98Å; D439-E443 WeakPolarHBondContact O-CB 3.36Å; D439-E443 PolarHBondContact O-N 2.83Å
440	L	96.5	Very high	95.6	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-66.5	-43.7	172.6	176.6	65.5	0	0	0	111	H389 P437 L438 L442 E443 L444	H389-L440 VanDerWaalsContact NE2-CD2 3.27Å; H389-L440 WeakPolarHBondContact NE2-CD2 3.27Å; P437-L440 HydrophobicContact CB-CB 4.33Å; P437-L440 WeakPolarHBondContact O-CB 3.38Å; P437-L440 PolarHBondContact O-N 3.46Å; P437-L440 VanDerWaalsContact O-N 3.07Å; L438-L440 VanDerWaalsContact C-N 3.29Å; L438-L440 PolarHBondContact O-N 2.82Å; L440-L442 VanDerWaalsContact C-N 3.33Å; L440-L442 PolarHBondContact O-N 2.75Å; L440-E443 WeakPolarHBondContact O-CB 2.91Å; L440-E443 PolarHBondContact O-N 3.44Å; L440-L444 HydrophobicContact CD1-CD1 3.71Å; L440-L444 HydrophobicContact CD1-CG 4.05Å; L440-L444 HydrophobicContact CD2-CD1 4.45Å; L440-L444 HydrophobicContact CG-CD1 3.76Å; L440-L444 HydrophobicContact CG-CG 4.43Å; L440-L444 WeakPolarHBondContact O-CB 3.43Å; L440-L444 VanDerWaalsContact O-CG 3.26Å; L440-L444 WeakPolarHBondContact O-CG 3.38Å; L440-L444 PolarHBondContact O-N 3.26Å
441	L	97.4	Very high	95.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-62.3	-42.5	175.5	-66.4	-174.8	0	0	0	111.6	F331 L335 I386 I424 M428 P436 P437 L438 E443 L444 L445	F331-L441 HydrophobicContact CD1-CD1 4.34Å; F331-L441 HydrophobicContact CE1-CD1 3.79Å; L335-L441 HydrophobicContact CD1-CD1 4.35Å; I386-L441 HydrophobicContact CG2-CD2 3.8Å; I424-L441 HydrophobicContact CD1-CD2 3.95Å; I424-L441 HydrophobicContact CG1-CD1 4.09Å; I424-L441 HydrophobicContact CG1-CD2 3.93Å; M428-L441 HydrophobicContact CE-CD1 4.29Å; M428-L441 HydrophobicContact SD-CD1 4.18Å; P436-L441 HydrophobicContact CB-CD2 4.11Å; P436-L441 HydrophobicContact CB-CG 4.25Å; P436-L441 HydrophobicContact CG-CD1 3.93Å; P436-L441 HydrophobicContact CG-CD2 3.72Å; P436-L441 HydrophobicContact CG-CG 3.89Å; P437-L441 PolarHBondContact O-N 2.92Å; L438-L441 HydrophobicContact CD1-CB 4.46Å; L438-L441 HydrophobicContact CD1-CD1 4.48Å; L438-L441 PolarHBondContact O-N 2.89Å; L441-E443 PolarHBondContact O-N 2.82Å; L441-L444 PolarHBondContact O-N 2.87Å; L441-L445 HydrophobicContact CB-CD1 4.22Å; L441-L445 VanDerWaalsContact O-CB 3.3Å; L441-L445 WeakPolarHBondContact O-CB 3.27Å; L441-L445 WeakPolarHBondContact O-CG 3.46Å; L441-L445 PolarHBondContact O-N 2.84Å
442	L	97.5	Very high	95.1	Very high	3 Å²	3	37.1 Å²	37.1	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-64.8	-28.3	178.1	-72	-176.9	0	0	0	113.1	I343 L345 F358 Y364 A367 L368 V372 L438 D439 L440	I343-L442 HydrophobicContact CD1-CD1 3.93Å; L345-L442 HydrophobicContact CD1-CB 4.21Å; F358-L442 HydrophobicContact CE1-CB 3.78Å; F358-L442 HydrophobicContact CE1-CD1 4.46Å; F358-L442 HydrophobicContact CZ-CB 4.13Å; F358-L442 HydrophobicContact CZ-CD1 4.01Å; Y364-L442 HydrophobicContact CD1-CD1 3.71Å; Y364-L442 HydrophobicContact CE1-CD1 4.06Å; A367-L442 HydrophobicContact CB-CD1 3.73Å; A367-L442 HydrophobicContact CB-CD2 3.88Å; A367-L442 HydrophobicContact CB-CG 4.46Å; L368-L442 HydrophobicContact CD2-CD2 3.99Å; L368-L442 HydrophobicContact CG-CD2 4.23Å; V372-L442 HydrophobicContact CB-CD2 4.35Å; V372-L442 HydrophobicContact CG1-CD2 3.92Å; V372-L442 HydrophobicContact CG2-CD2 3.52Å; L438-L442 HydrophobicContact CD1-CG 4.3Å; L438-L442 HydrophobicContact CG-CD1 4.36Å; L438-L442 HydrophobicContact CG-CG 4.34Å; L438-L442 WeakPolarHBondContact O-CB 3.21Å; L438-L442 VanDerWaalsContact O-CG 3.27Å; L438-L442 WeakPolarHBondContact O-CG 3.41Å; L438-L442 PolarHBondContact O-N 3.18Å; D439-L442 PolarHBondContact O-N 2.98Å; L440-L442 VanDerWaalsContact C-N 3.33Å; L440-L442 PolarHBondContact O-N 2.75Å
443	E	94.6	Very high	94.9	Very high	23 Å²	23	35.1 Å²	35.1	11%	0.107	16%	0.16	C	C	.	.	H	α-helix	trans	-73.7	-38.8	172.3	170.7	175.3	155.6	0	0	112.4	R240 E241 Y242 D439 L440 L441	R240-E443 IonicContact CZ-OE2 3.41Å; R240-E443 IonicContact NE-OE1 2.84Å; R240-E443 IonicContact NE-OE2 3.62Å; R240-E443 PolarHBondContact NE-OE2 3.39Å; R240-E443 IonicContact NH2-OE2 2.7Å; R240-E443 PolarHBondContact NH2-OE2 2.58Å; E241-E443 PolarHBondContact N-OE1 3.16Å; Y242-E443 HydrophobicContact CD2-CB 4.46Å; Y242-E443 HydrophobicContact CD2-CG 3.76Å; Y242-E443 HydrophobicContact CE2-CG 4.24Å; D439-E443 WeakPolarHBondContact O-CB 3.36Å; D439-E443 PolarHBondContact O-N 2.83Å; L440-E443 WeakPolarHBondContact O-CB 2.91Å; L440-E443 PolarHBondContact O-N 3.44Å; L441-E443 PolarHBondContact O-N 2.82Å
444	L	93.4	Very high	94.7	Very high	21 Å²	21	38 Å²	38	11%	0.11	18%	0.18	C	C	.	.	H	α-helix	trans	-91.8	-29.2	-171.4	-67.6	173.7	0	0	0	115	V382 E385 L440 L441	V382-L444 HydrophobicContact CG1-CB 4.25Å; V382-L444 HydrophobicContact CG1-CD1 4.44Å; V382-L444 HydrophobicContact CG2-CB 4.21Å; E385-L444 HydrophobicContact CB-CD1 3.5Å; E385-L444 VanDerWaalsContact CB-CD1 3.5Å; E385-L444 HydrophobicContact CG-CD1 4Å; E385-L444 HydrophobicContact CG-CD2 4.08Å; L440-L444 HydrophobicContact CD1-CD1 3.71Å; L440-L444 HydrophobicContact CD1-CG 4.05Å; L440-L444 HydrophobicContact CD2-CD1 4.45Å; L440-L444 HydrophobicContact CG-CD1 3.76Å; L440-L444 HydrophobicContact CG-CG 4.43Å; L440-L444 WeakPolarHBondContact O-CB 3.43Å; L440-L444 VanDerWaalsContact O-CG 3.26Å; L440-L444 WeakPolarHBondContact O-CG 3.38Å; L440-L444 PolarHBondContact O-N 3.26Å; L441-L444 PolarHBondContact O-N 2.87Å
445	L	94.8	Very high	94.6	Very high	14 Å²	14	38.7 Å²	38.7	7%	0.073	18%	0.184	C	C	.	.	S	Bend	trans	-73.7	142.6	-176.7	-70.4	172.7	0	0	0	110.9	V372 I374 V382 I424 L441	V372-L445 HydrophobicContact CB-CB 4.21Å; I374-L445 HydrophobicContact CG2-CD1 4.32Å; V382-L445 HydrophobicContact CG1-CD2 4.49Å; I424-L445 HydrophobicContact CB-CD2 4.38Å; I424-L445 HydrophobicContact CG2-CD1 4.15Å; I424-L445 HydrophobicContact CG2-CD2 4.31Å; L441-L445 HydrophobicContact CB-CD1 4.22Å; L441-L445 VanDerWaalsContact O-CB 3.3Å; L441-L445 WeakPolarHBondContact O-CB 3.27Å; L441-L445 WeakPolarHBondContact O-CG 3.46Å; L441-L445 PolarHBondContact O-N 2.84Å
446	P	92	Very high	94.4	Very high	48 Å²	48	36 Å²	36	31%	0.312	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-64.8	155.6	-179.4	25.5	-31	0	0	0	111.4	V372 D373	V372-P446 CarbonylContact C-O 3.59Å; V372-P446 WeakPolarHBondContact CA-O 3.41Å; D373-P446 HydrophobicContact CB-CG 4.26Å; D373-P446 PolarHBondContact N-O 3.3Å
447	R	92.7	Very high	94.3	Very high	76 Å²	76	37.3 Å²	37.3	29%	0.287	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	-64.4	138.2	176.3	-69.4	-65.1	-59.4	-76.6	-9.5	111	P357 Y371 Q449	P357-R447 WeakPolarHBondContact O-CD 3.37Å; P357-R447 PolarHBondContact O-NH1 2.98Å; Y371-R447 CarbonylContact O-C 3.59Å; Y371-R447 VanDerWaalsContact O-CA 3.29Å; Y371-R447 WeakPolarHBondContact O-CA 3.48Å; Y371-R447 WeakPolarHBondContact O-CD 3.45Å; Y371-R447 PolarHBondContact O-NE 2.55Å; Y371-R447 VanDerWaalsContact O-NE 3.1Å; R447-Q449 PolarHBondContact O-N 3.22Å; R447-Q449 PolarHBondContact O-NE2 3.15Å
448	L	93.6	Very high	94.3	Very high	19 Å²	19	36.8 Å²	36.8	10%	0.099	19%	0.189	C	C	.	.			trans	-67.1	113	171.6	-175.2	62.4	0	0	0	109.5	P321 Y371 D373 V486	P321-L448 HydrophobicContact CG-CD1 4.16Å; P321-L448 HydrophobicContact CG-CD2 4.13Å; P321-L448 HydrophobicContact CG-CG 4.06Å; Y371-L448 PolarHBondContact O-N 3.15Å; D373-L448 HydrophobicContact CB-CD1 4.42Å; L448-V486 HydrophobicContact CD1-CG1 4.28Å
449	Q	89.8	Confident	94.1	Very high	74 Å²	74	38.3 Å²	38.3	35%	0.346	20%	0.199	S	C	.	.	P	Polyproline II helix	trans	-85	151.7	-175.5	-63.5	-58.4	-30.6	0	0	112.5	T85 P321 R447	T85-Q449 PolarHBondContact O-NE2 2.89Å; P321-Q449 WeakPolarHBondContact CD-O 3.06Å; R447-Q449 PolarHBondContact O-N 3.22Å; R447-Q449 PolarHBondContact O-NE2 3.15Å
450	P	92	Very high	94	Very high	19 Å²	19	47.1 Å²	47.1	12%	0.123	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-64.9	147.2	167.3	29	-33.6	0	0	0	110.7	A318 V319 Y320 Y452	A318-P450 HydrophobicContact CB-CB 4.23Å; V319-P450 CarbonylContact O-C 3.56Å; V319-P450 WeakPolarHBondContact O-CA 3.22Å; Y320-P450 HydrophobicContact CD1-CB 4.07Å; Y320-P450 HydrophobicContact CD2-CB 4.26Å; Y320-P450 HydrophobicContact CE1-CB 3.94Å; Y320-P450 HydrophobicContact CE1-CG 4.08Å; Y320-P450 HydrophobicContact CE2-CB 4.09Å; Y320-P450 HydrophobicContact CG-CB 4.22Å; P450-Y452 HydrophobicContact CG-CE2 4.15Å
451	R	92.2	Very high	93.9	Very high	151 Å²	151	54.2 Å²	54.2	57%	0.57	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.8	172.2	-176.2	62.3	-179.1	-171.5	1.8	110	V319 Y453 A487	V319-R451 PolarHBondContact N-O 2.88Å; V319-R451 PolarHBondContact O-N 3.45Å; R451-Y453 HydrophobicContact CB-CE2 3.83Å; R451-Y453 HydrophobicContact CG-CD2 4.15Å; R451-Y453 HydrophobicContact CG-CE1 4.21Å; R451-Y453 HydrophobicContact CG-CE2 3.49Å; R451-Y453 VanDerWaalsContact CG-CE2 3.49Å; R451-Y453 WeakPolarHBondContact O-CD2 3.39Å; R451-A487 HydrophobicContact CB-CB 3.56Å; R451-A487 HydrophobicContact CG-CB 3.97Å
452	Y	91.1	Very high	93.7	Very high	72 Å²	72	56.7 Å²	56.7	28%	0.282	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	132.3	173.8	-63.2	-89	0	0	0	110.6	H316 L317 A318 P450 L511	H316-Y452 HydrophobicContact CB-CD1 4.2Å; L317-Y452 WeakPolarHBondContact O-CA 3.15Å; A318-Y452 HydrophobicContact CB-CD1 3.79Å; A318-Y452 HydrophobicContact CB-CE1 3.51Å; P450-Y452 HydrophobicContact CG-CE2 4.15Å; Y452-L511 HydrophobicContact CD1-CD1 4.06Å; Y452-L511 HydrophobicContact CE1-CD1 4.05Å; Y452-L511 HydrophobicContact CG-CD1 4.41Å
453	Y	93.8	Very high	93.5	Very high	22 Å²	22	60.2 Å²	60.2	9%	0.086	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	135.3	173.9	-66.6	-85	0	0	0	109	H316 L317 V319 R451 I455 I468 A470 A487 T488 L491	H316-Y453 CarbonylContact C-O 3.57Å; H316-Y453 VanDerWaalsContact CA-O 3.29Å; H316-Y453 WeakPolarHBondContact CA-O 3.34Å; L317-Y453 PolarHBondContact N-O 2.87Å; L317-Y453 PolarHBondContact O-N 2.86Å; V319-Y453 HydrophobicContact CB-CD2 4.26Å; V319-Y453 HydrophobicContact CB-CE2 4.04Å; V319-Y453 HydrophobicContact CG2-CD2 3.79Å; V319-Y453 HydrophobicContact CG2-CE2 3.96Å; R451-Y453 HydrophobicContact CB-CE2 3.83Å; R451-Y453 HydrophobicContact CG-CD2 4.15Å; R451-Y453 HydrophobicContact CG-CE1 4.21Å; R451-Y453 HydrophobicContact CG-CE2 3.49Å; R451-Y453 VanDerWaalsContact CG-CE2 3.49Å; R451-Y453 WeakPolarHBondContact O-CD2 3.39Å; Y453-I455 PolarHBondContact O-N 2.63Å; Y453-I468 HydrophobicContact CD1-CD1 4.43Å; Y453-I468 HydrophobicContact CD2-CD1 3.85Å; Y453-I468 HydrophobicContact CE2-CD1 4.3Å; Y453-I468 HydrophobicContact CG-CB 4.48Å; Y453-I468 HydrophobicContact CG-CD1 3.92Å; Y453-A470 HydrophobicContact CD1-CB 4.07Å; Y453-A470 HydrophobicContact CE1-CB 3.65Å; Y453-A487 WeakPolarHBondContact OH-CB 3.44Å; Y453-T488 HydrophobicContact CE1-CG2 4.18Å; Y453-T488 WeakPolarHBondContact OH-CG2 3.4Å; Y453-L491 HydrophobicContact CD2-CD1 4.49Å; Y453-L491 HydrophobicContact CE2-CD1 3.67Å
454	S	93.7	Very high	93.5	Very high	74 Å²	74	63 Å²	63	52%	0.517	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	134	171.4	-47.1	0	0	0	0	109.6	H316 S456	H316-S454 PolarHBondContact NE2-OG 2.99Å; S454-S456 PolarHBondContact O-N 2.87Å
455	I	94.8	Very high	93.5	Very high	16 Å²	16	62.4 Å²	62.4	8%	0.082	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-71	126.5	179.8	-68.2	172.3	0	0	0	109.4	Y311 D315 L317 Y453 S457 V466 S467	Y311-I455 HydrophobicContact CD2-CD1 3.71Å; Y311-I455 HydrophobicContact CD2-CG2 3.91Å; Y311-I455 HydrophobicContact CE2-CD1 4.39Å; Y311-I455 HydrophobicContact CE2-CG2 3.51Å; Y311-I455 HydrophobicContact CG-CD1 4.12Å; D315-I455 HydrophobicContact CB-CD1 3.8Å; D315-I455 WeakPolarHBondContact O-CB 3.42Å; D315-I455 WeakPolarHBondContact O-CG1 3.43Å; D315-I455 PolarHBondContact O-N 2.94Å; L317-I455 HydrophobicContact CB-CD1 4.5Å; L317-I455 HydrophobicContact CB-CG1 4.05Å; Y453-I455 PolarHBondContact O-N 2.63Å; I455-S457 WeakPolarHBondContact CG2-OG 3.31Å; I455-V466 HydrophobicContact CB-CG2 4.3Å; I455-V466 HydrophobicContact CD1-CG2 3.65Å; I455-V466 HydrophobicContact CG1-CG2 3.69Å; I455-V466 HydrophobicContact CG2-CG2 3.66Å; I455-S467 CarbonylContact C-O 3.56Å; I455-S467 WeakPolarHBondContact CA-O 3.48Å
456	S	94.9	Very high	93.6	Very high	56 Å²	56	61.9 Å²	61.9	39%	0.392	32%	0.319	S	S	.	.			trans	-100.5	19	-179.1	63.1	0	0	0	0	113.7	S454 S467 I468 T469	S454-S456 PolarHBondContact O-N 2.87Å; S456-S467 PolarHBondContact N-O 3.12Å; S456-S467 PolarHBondContact O-OG 3.25Å; S456-S467 PolarHBondContact OG-O 3.34Å; S456-S467 PolarHBondContact OG-OG 3.42Å; S456-I468 WeakPolarHBondContact OG-CA 3.49Å; S456-I468 PolarHBondContact OG-N 3.48Å; S456-T469 WeakPolarHBondContact CB-OG1 3.26Å; S456-T469 PolarHBondContact OG-N 3.11Å; S456-T469 PolarHBondContact OG-OG1 3.24Å
457	S	95.2	Very high	93.7	Very high	29 Å²	29	59.8 Å²	59.8	20%	0.203	31%	0.306	C	S	.	.	S	Bend	trans	-124.9	163.9	179.9	54.5	0	0	0	0	111	Y311 I455 S467	Y311-S457 WeakPolarHBondContact OH-CB 3.23Å; Y311-S457 PolarHBondContact OH-OG 3.4Å; I455-S457 WeakPolarHBondContact CG2-OG 3.31Å; S457-S467 VanDerWaalsContact CB-OG 3.23Å; S457-S467 WeakPolarHBondContact CB-OG 3.28Å; S457-S467 PolarHBondContact N-OG 3.28Å; S457-S467 PolarHBondContact OG-N 3.27Å
458	S	95.1	Very high	93.9	Very high	36 Å²	36	56.2 Å²	56.2	25%	0.252	29%	0.292	S	S	.	.			trans	-116	128.3	173	176.6	0	0	0	0	110	Y311 K460 I461 D462	Y311-S458 VanDerWaalsContact OH-C 3.31Å; S458-K460 PolarHBondContact O-N 3.11Å; S458-K460 VanDerWaalsContact O-N 3.09Å; S458-K460 PolarHBondContact OG-N 3.4Å; S458-I461 PolarHBondContact O-N 2.9Å; S458-D462 PolarHBondContact O-N 3.5Å
459	P	93.7	Very high	94.1	Very high	33 Å²	33	58.4 Å²	58.4	21%	0.214	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-13.6	177.7	31.5	-38.2	0	0	0	111.9	Y311 I461 P463	Y311-P459 HydrophobicContact CD1-CB 4.28Å; Y311-P459 HydrophobicContact CE1-CB 3.81Å; Y311-P459 HydrophobicContact CE2-CB 4.17Å; Y311-P459 HydrophobicContact CE2-CG 4.2Å; Y311-P459 WeakPolarHBondContact O-CG 3.26Å; P459-I461 VanDerWaalsContact C-N 3.31Å; P459-P463 WeakPolarHBondContact O-CA 3.34Å; P459-P463 WeakPolarHBondContact O-CB 3.43Å; P459-P463 WeakPolarHBondContact O-CD 3.48Å
460	K	94.8	Very high	94.3	Very high	199 Å²	199	55 Å²	55	87%	0.865	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-22.6	174.1	-61.7	-178.8	179	177.3	0	112.8	S458	S458-K460 PolarHBondContact O-N 3.11Å; S458-K460 VanDerWaalsContact O-N 3.09Å; S458-K460 PolarHBondContact OG-N 3.4Å
461	I	95.1	Very high	94.4	Very high	152 Å²	152	57.2 Å²	57.2	78%	0.779	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-51	177.6	-62	175.2	0	0	0	109.4	S458 P459	S458-I461 PolarHBondContact O-N 2.9Å; P459-I461 VanDerWaalsContact C-N 3.31Å
462	D	94	Very high	94.6	Very high	53 Å²	53	51.5 Å²	51.5	28%	0.283	29%	0.293	S	S	.	.			trans	-146	103	176.2	-175.6	-6.7	0	0	0	109.1	K284 S458 D464 T465	K284-D462 IonicContact NZ-OD2 3.74Å; K284-D462 PolarHBondContact NZ-OD2 3.29Å; S458-D462 PolarHBondContact O-N 3.5Å; D462-D464 PolarHBondContact O-N 3.37Å; D462-D464 PolarHBondContact OD1-N 2.93Å; D462-T465 VanDerWaalsContact CG-OG1 3.27Å; D462-T465 PolarHBondContact O-N 3.07Å; D462-T465 PolarHBondContact OD1-N 2.82Å; D462-T465 WeakPolarHBondContact OD2-CB 3.46Å; D462-T465 PolarHBondContact OD2-OG1 2.97Å
463	P	93.1	Very high	94.7	Very high	77 Å²	77	51.3 Å²	51.3	50%	0.5	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-19.1	-179.3	28.6	-34.7	0	0	0	113.1	P459	P459-P463 WeakPolarHBondContact O-CA 3.34Å; P459-P463 WeakPolarHBondContact O-CB 3.43Å; P459-P463 WeakPolarHBondContact O-CD 3.48Å
464	D	93.1	Very high	94.8	Very high	83 Å²	83	58.5 Å²	58.5	44%	0.444	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	5.6	-177.6	-70.9	-41.8	0	0	0	112.7	S303 L304 V305 D462	S303-D464 CarbonylContact C-O 3.48Å; S303-D464 WeakPolarHBondContact CA-O 3.5Å; L304-D464 PolarHBondContact N-O 3.28Å; V305-D464 HydrophobicContact CG2-CB 3.85Å; D462-D464 PolarHBondContact O-N 3.37Å; D462-D464 PolarHBondContact OD1-N 2.93Å
465	T	94.8	Very high	94.8	Very high	8 Å²	8	59.9 Å²	59.9	5%	0.049	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128.5	177.4	-59.1	0	0	0	0	110.9	K284 E301 F302 Y311 D462	K284-T465 HydrophobicContact CD-CG2 3.99Å; K284-T465 WeakPolarHBondContact CD-OG1 3.15Å; K284-T465 PolarHBondContact NZ-OG1 3.08Å; E301-T465 HydrophobicContact CB-CG2 3.9Å; E301-T465 HydrophobicContact CG-CG2 4.21Å; F302-T465 WeakPolarHBondContact O-CA 3.25Å; Y311-T465 PolarHBondContact OH-O 3.02Å; D462-T465 VanDerWaalsContact CG-OG1 3.27Å; D462-T465 PolarHBondContact O-N 3.07Å; D462-T465 PolarHBondContact OD1-N 2.82Å; D462-T465 WeakPolarHBondContact OD2-CB 3.46Å; D462-T465 PolarHBondContact OD2-OG1 2.97Å
466	V	95.3	Very high	94.8	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.012	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.1	170.6	64.5	0	0	0	0	109.5	E301 F302 L304 Y311 L317 I455	E301-V466 CarbonylContact C-O 3.52Å; E301-V466 WeakPolarHBondContact CA-O 3.5Å; F302-V466 HydrophobicContact CB-CG1 3.96Å; F302-V466 HydrophobicContact CD2-CG1 4.27Å; F302-V466 PolarHBondContact N-O 2.94Å; F302-V466 PolarHBondContact O-N 3.08Å; L304-V466 HydrophobicContact CD1-CB 4.12Å; L304-V466 HydrophobicContact CD1-CG1 4.24Å; L304-V466 HydrophobicContact CD2-CG1 3.8Å; L304-V466 HydrophobicContact CG-CB 4.35Å; L304-V466 HydrophobicContact CG-CG1 4.01Å; Y311-V466 HydrophobicContact CE1-CB 4.25Å; Y311-V466 HydrophobicContact CE2-CG2 4.48Å; L317-V466 HydrophobicContact CD1-CG1 4.07Å; L317-V466 HydrophobicContact CD1-CG2 4.38Å; L317-V466 HydrophobicContact CD2-CG1 4.21Å; I455-V466 HydrophobicContact CB-CG2 4.3Å; I455-V466 HydrophobicContact CD1-CG2 3.65Å; I455-V466 HydrophobicContact CG1-CG2 3.69Å; I455-V466 HydrophobicContact CG2-CG2 3.66Å
467	S	96	Very high	94.9	Very high	5 Å²	5	61.2 Å²	61.2	4%	0.035	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	152.8	175	77.9	0	0	0	0	113.3	I300 I455 S456 S457	I300-S467 CarbonylContact O-C 3.57Å; I300-S467 WeakPolarHBondContact O-CA 3.49Å; I300-S467 WeakPolarHBondContact O-CB 3.33Å; I455-S467 CarbonylContact C-O 3.56Å; I455-S467 WeakPolarHBondContact CA-O 3.48Å; S456-S467 PolarHBondContact N-O 3.12Å; S456-S467 PolarHBondContact O-OG 3.25Å; S456-S467 PolarHBondContact OG-O 3.34Å; S456-S467 PolarHBondContact OG-OG 3.42Å; S457-S467 VanDerWaalsContact CB-OG 3.23Å; S457-S467 WeakPolarHBondContact CB-OG 3.28Å; S457-S467 PolarHBondContact N-OG 3.28Å; S457-S467 PolarHBondContact OG-N 3.27Å
468	I	96.3	Very high	94.9	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	154	169.1	64.8	174.7	0	0	0	109.9	I300 F302 L317 V319 Y453 S456 L491	I300-I468 HydrophobicContact CB-CD1 4.47Å; I300-I468 HydrophobicContact CB-CG1 3.88Å; I300-I468 HydrophobicContact CD1-CD1 4.49Å; I300-I468 PolarHBondContact N-O 2.8Å; I300-I468 PolarHBondContact O-N 3.24Å; F302-I468 HydrophobicContact CE2-CD1 3.83Å; F302-I468 HydrophobicContact CE2-CG1 3.9Å; F302-I468 HydrophobicContact CZ-CD1 4.11Å; L317-I468 HydrophobicContact CB-CG2 3.87Å; L317-I468 HydrophobicContact CD2-CG2 3.64Å; L317-I468 HydrophobicContact CG-CG2 4.4Å; V319-I468 HydrophobicContact CG2-CD1 4.28Å; Y453-I468 HydrophobicContact CD1-CD1 4.43Å; Y453-I468 HydrophobicContact CD2-CD1 3.85Å; Y453-I468 HydrophobicContact CE2-CD1 4.3Å; Y453-I468 HydrophobicContact CG-CB 4.48Å; Y453-I468 HydrophobicContact CG-CD1 3.92Å; S456-I468 WeakPolarHBondContact OG-CA 3.49Å; S456-I468 PolarHBondContact OG-N 3.48Å; I468-L491 HydrophobicContact CD1-CD1 3.8Å
469	T	96.3	Very high	94.8	Very high	66 Å²	66	65.6 Å²	65.6	41%	0.405	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	115.7	171	-57.2	0	0	0	0	108.5	L289 C297 R298 S456	L289-T469 HydrophobicContact CD1-CG2 3.77Å; C297-T469 VanDerWaalsContact SG-CG2 3.55Å; R298-T469 WeakPolarHBondContact O-CA 3.45Å; S456-T469 WeakPolarHBondContact CB-OG1 3.26Å; S456-T469 PolarHBondContact OG-N 3.11Å; S456-T469 PolarHBondContact OG-OG1 3.24Å
470	A	95.2	Very high	94.9	Very high	3 Å²	3	66.6 Å²	66.6	3%	0.025	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	114.9	-171.1	0	0	0	0	0	112	R298 Y453 V472	R298-A470 PolarHBondContact N-O 3.4Å; R298-A470 PolarHBondContact O-N 2.91Å; Y453-A470 HydrophobicContact CD1-CB 4.07Å; Y453-A470 HydrophobicContact CE1-CB 3.65Å; A470-V472 PolarHBondContact O-N 3.33Å
471	A	94.6	Very high	95	Very high	64 Å²	64	59.7 Å²	59.7	53%	0.529	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	126.6	169.4	0	0	0	0	0	110.2	V473 T488	A471-V473 PolarHBondContact O-N 3.34Å; A471-T488 WeakPolarHBondContact O-CG2 3.46Å
472	V	94.8	Very high	95	Very high	31 Å²	31	57.1 Å²	57.1	19%	0.188	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-77.1	116.2	178.7	-175.8	0	0	0	0	109.3	T296 R298 A470 A492	T296-V472 HydrophobicContact CG2-CB 4.03Å; T296-V472 HydrophobicContact CG2-CG2 3.44Å; T296-V472 VanDerWaalsContact CG2-CG2 3.44Å; T296-V472 PolarHBondContact O-N 2.98Å; R298-V472 HydrophobicContact CG-CG2 3.73Å; A470-V472 PolarHBondContact O-N 3.33Å; V472-A492 HydrophobicContact CG1-CB 4.46Å; V472-A492 HydrophobicContact CG2-CB 3.87Å
473	V	94.8	Very high	95	Very high	68 Å²	68	55.9 Å²	55.9	41%	0.412	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-86.2	119.4	-176	177.2	0	0	0	0	108.6	A471 Y475 G485 T488 N489	A471-V473 PolarHBondContact O-N 3.34Å; V473-Y475 HydrophobicContact CG1-CD1 3.9Å; V473-Y475 HydrophobicContact CG1-CE1 4.09Å; V473-G485 PolarHBondContact O-N 2.97Å; V473-T488 PolarHBondContact N-OG1 3.43Å; V473-T488 VanDerWaalsContact N-OG1 3.12Å; V473-N489 PolarHBondContact O-ND2 2.85Å
474	R	94.2	Very high	95.1	Very high	174 Å²	174	56.5 Å²	56.5	66%	0.657	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.9	133	170.5	-178.6	-178.8	169.5	-144.6	-2.4	108.3	I482 R483	R474-I482 HydrophobicContact CG-CG2 4.09Å; R474-R483 VanDerWaalsContact CA-O 3.26Å; R474-R483 WeakPolarHBondContact CA-O 3.5Å
475	Y	94.4	Very high	95.2	Very high	102 Å²	102	53.4 Å²	53.4	40%	0.4	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	167	-179.9	61.4	-89.6	0	0	0	110.4	V473 T477 R483	V473-Y475 HydrophobicContact CG1-CD1 3.9Å; V473-Y475 HydrophobicContact CG1-CE1 4.09Å; Y475-T477 HydrophobicContact CE2-CG2 4.28Å; Y475-R483 HydrophobicContact CD1-CB 4.19Å; Y475-R483 HydrophobicContact CD2-CB 4.02Å; Y475-R483 HydrophobicContact CD2-CG 4.35Å; Y475-R483 HydrophobicContact CE1-CB 3.76Å; Y475-R483 HydrophobicContact CE2-CB 3.53Å; Y475-R483 HydrophobicContact CE2-CG 3.64Å; Y475-R483 HydrophobicContact CG-CB 4.32Å; Y475-R483 VanDerWaalsContact CZ-CB 3.42Å; Y475-R483 PolarHBondContact N-O 3.47Å; Y475-R483 VanDerWaalsContact N-O 3.07Å; Y475-R483 PolarHBondContact O-N 2.62Å
476	V	95.9	Very high	95.3	Very high	95 Å²	95	54.4 Å²	54.4	58%	0.576	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.1	176.2	-176.7	0	0	0	0	108	R481 I482	V476-R481 CarbonylContact C-O 3.53Å; V476-R481 VanDerWaalsContact CA-O 3.32Å; V476-R481 WeakPolarHBondContact CA-O 3.16Å; V476-I482 HydrophobicContact CG2-CG1 4.45Å
477	T	95.8	Very high	95.3	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.031	31%	0.305	C	S	.	.			trans	-70.4	165.9	175.9	69.8	0	0	0	0	110.9	Q421 Y475 L479 G480 R481 R483	Q421-T477 HydrophobicContact CB-CG2 4.1Å; Y475-T477 HydrophobicContact CE2-CG2 4.28Å; T477-L479 PolarHBondContact O-N 3.31Å; T477-L479 VanDerWaalsContact O-N 3.07Å; T477-L479 PolarHBondContact OG1-N 2.8Å; T477-G480 PolarHBondContact O-N 3.15Å; T477-R481 HydrophobicContact CG2-CB 4.25Å; T477-R481 PolarHBondContact N-O 2.95Å; T477-R481 WeakPolarHBondContact OG1-CB 3.38Å; T477-R481 PolarHBondContact OG1-N 2.88Å; T477-R483 HydrophobicContact CG2-CG 3.44Å; T477-R483 VanDerWaalsContact CG2-CG 3.44Å
478	P	95.1	Very high	95.3	Very high	92 Å²	92	55.2 Å²	55.2	60%	0.597	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-28.8	173.1	-29.7	38.9	0	0	0	114.1	A419 G480	A419-P478 WeakPolarHBondContact O-CG 3.44Å; P478-G480 VanDerWaalsContact C-N 3.26Å; P478-G480 PolarHBondContact O-N 2.87Å
479	L	94.4	Very high	95.2	Very high	66 Å²	66	57 Å²	57	35%	0.346	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	9.1	175.5	-57.4	175	0	0	0	114.5	D420 R422 T477 R481	D420-L479 HydrophobicContact CB-CD1 4.01Å; D420-L479 HydrophobicContact CB-CG 4.21Å; R422-L479 HydrophobicContact CG-CD1 4Å; R422-L479 VanDerWaalsContact CZ-CD1 3.47Å; T477-L479 PolarHBondContact O-N 3.31Å; T477-L479 VanDerWaalsContact O-N 3.07Å; T477-L479 PolarHBondContact OG1-N 2.8Å; L479-R481 VanDerWaalsContact C-N 3.3Å; L479-R481 HydrophobicContact CB-CG 4.44Å; L479-R481 PolarHBondContact O-N 2.8Å
480	G	95.8	Very high	95.2	Very high	54 Å²	54	54.6 Å²	54.6	56%	0.557	30%	0.3	S	S	*	.	S	Bend	trans	76.7	10	179.3	0	0	0	0	0	115	T477 P478	T477-G480 PolarHBondContact O-N 3.15Å; P478-G480 VanDerWaalsContact C-N 3.26Å; P478-G480 PolarHBondContact O-N 2.87Å
481	R	95.1	Very high	95.1	Very high	53 Å²	53	54.5 Å²	54.5	20%	0.2	30%	0.299	C	S	.	.			trans	-84	135.4	-179.6	-56.7	-177.2	-173.1	-126.7	-9.8	110.7	D426 D430 V476 T477 L479 R483	D426-R481 WeakPolarHBondContact OD1-CD 3.28Å; D426-R481 IonicContact OD1-CZ 2.57Å; D426-R481 IonicContact OD1-NE 2.97Å; D426-R481 PolarHBondContact OD1-NE 2.95Å; D426-R481 IonicContact OD1-NH1 3.31Å; D426-R481 PolarHBondContact OD1-NH1 3.48Å; D430-R481 IonicContact OD1-CZ 2.84Å; D430-R481 IonicContact OD1-NH2 3.76Å; D430-R481 PolarHBondContact OD1-NH2 3.38Å; D430-R481 IonicContact OD2-CZ 2.74Å; D430-R481 IonicContact OD2-NH2 2.73Å; D430-R481 PolarHBondContact OD2-NH2 3.38Å; V476-R481 CarbonylContact C-O 3.53Å; V476-R481 VanDerWaalsContact CA-O 3.32Å; V476-R481 WeakPolarHBondContact CA-O 3.16Å; T477-R481 HydrophobicContact CG2-CB 4.25Å; T477-R481 PolarHBondContact N-O 2.95Å; T477-R481 WeakPolarHBondContact OG1-CB 3.38Å; T477-R481 PolarHBondContact OG1-N 2.88Å; L479-R481 VanDerWaalsContact C-N 3.3Å; L479-R481 HydrophobicContact CB-CG 4.44Å; L479-R481 PolarHBondContact O-N 2.8Å; R481-R483 PolarHBondContact O-N 2.69Å
482	I	95	Very high	95	Very high	98 Å²	98	52.9 Å²	52.9	50%	0.503	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	122.2	174.7	-59.6	169.1	0	0	0	109.3	R474 V476	R474-I482 HydrophobicContact CG-CG2 4.09Å; V476-I482 HydrophobicContact CG2-CG1 4.45Å
483	R	95.5	Very high	94.8	Very high	28 Å²	28	54.6 Å²	54.6	11%	0.106	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	147.9	172.5	-63.9	-63.9	-172.8	-169.5	-3.5	111.2	Q421 D426 R474 Y475 T477 R481	Q421-R483 PolarHBondContact O-NH2 3.31Å; D426-R483 IonicContact OD1-CZ 2.6Å; D426-R483 IonicContact OD1-NH1 3.83Å; D426-R483 PolarHBondContact OD1-NH1 3.17Å; D426-R483 IonicContact OD1-NH2 3.79Å; D426-R483 PolarHBondContact OD1-NH2 3.07Å; D426-R483 VanDerWaalsContact OD1-NH2 3.17Å; D426-R483 IonicContact OD2-CZ 3.48Å; D426-R483 IonicContact OD2-NH1 3.21Å; D426-R483 PolarHBondContact OD2-NH1 2.57Å; D426-R483 IonicContact OD2-NH2 3.58Å; D426-R483 PolarHBondContact OD2-NH2 3.31Å; R474-R483 VanDerWaalsContact CA-O 3.26Å; R474-R483 WeakPolarHBondContact CA-O 3.5Å; Y475-R483 HydrophobicContact CD1-CB 4.19Å; Y475-R483 HydrophobicContact CD2-CB 4.02Å; Y475-R483 HydrophobicContact CD2-CG 4.35Å; Y475-R483 HydrophobicContact CE1-CB 3.76Å; Y475-R483 HydrophobicContact CE2-CB 3.53Å; Y475-R483 HydrophobicContact CE2-CG 3.64Å; Y475-R483 HydrophobicContact CG-CB 4.32Å; Y475-R483 VanDerWaalsContact CZ-CB 3.42Å; Y475-R483 PolarHBondContact N-O 3.47Å; Y475-R483 VanDerWaalsContact N-O 3.07Å; Y475-R483 PolarHBondContact O-N 2.62Å; T477-R483 HydrophobicContact CG2-CG 3.44Å; T477-R483 VanDerWaalsContact CG2-CG 3.44Å; R481-R483 PolarHBondContact O-N 2.69Å
484	K	94.8	Very high	94.6	Very high	89 Å²	89	51.8 Å²	51.8	39%	0.387	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130.3	177.7	-67.9	-178.8	-165.2	167.8	0	107.5	D324 V486 N489	D324-K484 IonicContact OD2-NZ 3.17Å; D324-K484 PolarHBondContact OD2-NZ 2.9Å; K484-V486 PolarHBondContact O-N 3.21Å; K484-N489 HydrophobicContact CB-CB 4.19Å; K484-N489 WeakPolarHBondContact CB-ND2 3.45Å; K484-N489 HydrophobicContact CD-CB 4.41Å
485	G	95.5	Very high	94.1	Very high	18 Å²	18	49.1 Å²	49.1	19%	0.186	28%	0.277	C	S	.	.			trans	-62.1	127.8	168.4	0	0	0	0	0	109.7	V473 T488 N489	V473-G485 PolarHBondContact O-N 2.97Å; G485-T488 PolarHBondContact O-OG1 2.8Å; G485-N489 PolarHBondContact N-ND2 3.25Å; G485-N489 WeakPolarHBondContact O-CB 3.3Å; G485-N489 PolarHBondContact O-N 3.47Å; G485-N489 VanDerWaalsContact O-N 3.09Å; G485-N489 PolarHBondContact O-ND2 3.47Å
486	V	96.5	Very high	93.3	Very high	29 Å²	29	52.6 Å²	52.6	18%	0.176	29%	0.289	C	S	.	.	H	α-helix	trans	-57.1	-57.5	-170.7	-171.1	0	0	0	0	111.3	P321 T375 L448 K484 Y490	P321-V486 HydrophobicContact CB-CG1 4.09Å; P321-V486 HydrophobicContact CG-CG1 4.29Å; T375-V486 HydrophobicContact CG2-CG2 3.96Å; T375-V486 WeakPolarHBondContact OG1-CG2 3.43Å; L448-V486 HydrophobicContact CD1-CG1 4.28Å; K484-V486 PolarHBondContact O-N 3.21Å; V486-Y490 VanDerWaalsContact O-CB 3.25Å; V486-Y490 WeakPolarHBondContact O-CB 3.45Å; V486-Y490 PolarHBondContact O-N 2.86Å
487	A	95.5	Very high	91.8	Very high	10 Å²	10	50.7 Å²	50.7	8%	0.083	29%	0.289	C	S	.	.	H	α-helix	trans	-68.3	-42.9	-175.7	0	0	0	0	0	113.6	P321 R451 Y453 Y490 L491	P321-A487 HydrophobicContact CB-CB 3.79Å; P321-A487 HydrophobicContact CG-CB 4.32Å; R451-A487 HydrophobicContact CB-CB 3.56Å; R451-A487 HydrophobicContact CG-CB 3.97Å; Y453-A487 WeakPolarHBondContact OH-CB 3.44Å; A487-Y490 PolarHBondContact O-N 2.84Å; A487-L491 WeakPolarHBondContact O-CB 3.49Å; A487-L491 VanDerWaalsContact O-CG 3.3Å; A487-L491 WeakPolarHBondContact O-CG 3.29Å; A487-L491 PolarHBondContact O-N 2.85Å
488	T	95.6	Very high	90.1	Very high	14 Å²	14	58.6 Å²	58.6	9%	0.086	33%	0.331	C	S	.	.	H	α-helix	trans	-73.1	-34.5	-174	55.7	0	0	0	0	112.5	Y453 A471 V473 G485 A492	Y453-T488 HydrophobicContact CE1-CG2 4.18Å; Y453-T488 WeakPolarHBondContact OH-CG2 3.4Å; A471-T488 WeakPolarHBondContact O-CG2 3.46Å; V473-T488 PolarHBondContact N-OG1 3.43Å; V473-T488 VanDerWaalsContact N-OG1 3.12Å; G485-T488 PolarHBondContact O-OG1 2.8Å; T488-A492 VanDerWaalsContact O-CB 3.25Å; T488-A492 WeakPolarHBondContact O-CB 3.13Å; T488-A492 PolarHBondContact O-N 3.04Å
489	N	95.3	Very high	88.3	Confident	38 Å²	38	58.4 Å²	58.4	20%	0.203	35%	0.346	C	S	.	.	H	α-helix	trans	-76.3	-35.3	173.7	-73.8	-99.9	0	0	0	111.9	V473 K484 G485 A492 S493	V473-N489 PolarHBondContact O-ND2 2.85Å; K484-N489 HydrophobicContact CB-CB 4.19Å; K484-N489 WeakPolarHBondContact CB-ND2 3.45Å; K484-N489 HydrophobicContact CD-CB 4.41Å; G485-N489 PolarHBondContact N-ND2 3.25Å; G485-N489 WeakPolarHBondContact O-CB 3.3Å; G485-N489 PolarHBondContact O-N 3.47Å; G485-N489 VanDerWaalsContact O-N 3.09Å; G485-N489 PolarHBondContact O-ND2 3.47Å; N489-A492 PolarHBondContact O-N 2.82Å; N489-S493 WeakPolarHBondContact O-CB 3.26Å; N489-S493 PolarHBondContact O-N 3.06Å
490	Y	94.7	Very high	86.7	Confident	15 Å²	15	59.5 Å²	59.5	6%	0.059	35%	0.348	C	S	.	.	H	α-helix	trans	-56	-54.4	168.8	167.1	-116.5	0	0	0	110.5	V319 P321 R322 V486 A487 A492 S493 L494	V319-Y490 HydrophobicContact CG1-CE1 4.5Å; P321-Y490 HydrophobicContact CB-CD1 4.29Å; R322-Y490 HydrophobicContact CB-CD2 3.82Å; R322-Y490 HydrophobicContact CB-CE2 3.99Å; R322-Y490 HydrophobicContact CB-CG 4.36Å; V486-Y490 VanDerWaalsContact O-CB 3.25Å; V486-Y490 WeakPolarHBondContact O-CB 3.45Å; V486-Y490 PolarHBondContact O-N 2.86Å; A487-Y490 PolarHBondContact O-N 2.84Å; Y490-A492 PolarHBondContact O-N 3.07Å; Y490-S493 PolarHBondContact O-N 2.89Å; Y490-S493 VanDerWaalsContact O-N 3.11Å; Y490-S493 PolarHBondContact O-OG 3.04Å; Y490-L494 HydrophobicContact CD2-CD2 4.37Å; Y490-L494 HydrophobicContact CE1-CD1 4.44Å; Y490-L494 HydrophobicContact CE2-CD2 3.74Å; Y490-L494 WeakPolarHBondContact O-CG 3.36Å; Y490-L494 PolarHBondContact O-N 2.92Å
491	L	94.3	Very high	85.2	Confident	1 Å²	1	60 Å²	60	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-58.5	-43.5	177.4	-78.2	173.1	0	0	0	113.1	N286 I300 F302 V319 Y453 I468 A487 S493 L494	N286-L491 PolarHBondContact ND2-O 2.87Å; I300-L491 HydrophobicContact CD1-CB 3.66Å; I300-L491 HydrophobicContact CD1-CD1 4.2Å; I300-L491 HydrophobicContact CD1-CD2 4.05Å; I300-L491 HydrophobicContact CD1-CG 4.2Å; F302-L491 HydrophobicContact CE1-CD2 4.36Å; F302-L491 HydrophobicContact CZ-CD2 3.88Å; V319-L491 HydrophobicContact CG1-CD1 4.24Å; V319-L491 HydrophobicContact CG1-CD2 3.89Å; V319-L491 HydrophobicContact CG1-CG 4.12Å; V319-L491 HydrophobicContact CG2-CD1 4.45Å; Y453-L491 HydrophobicContact CD2-CD1 4.49Å; Y453-L491 HydrophobicContact CE2-CD1 3.67Å; I468-L491 HydrophobicContact CD1-CD1 3.8Å; A487-L491 WeakPolarHBondContact O-CB 3.49Å; A487-L491 VanDerWaalsContact O-CG 3.3Å; A487-L491 WeakPolarHBondContact O-CG 3.29Å; A487-L491 PolarHBondContact O-N 2.85Å; L491-S493 PolarHBondContact O-N 2.75Å; L491-L494 HydrophobicContact CD2-CD1 3.95Å; L491-L494 WeakPolarHBondContact O-CB 3.42Å; L491-L494 PolarHBondContact O-N 3.05Å
492	A	92.4	Very high	84.1	Confident	31 Å²	31	60.8 Å²	60.8	26%	0.256	35%	0.352	S	S	.	.	H	α-helix	trans	-63.7	-28.5	177.9	0	0	0	0	0	112.9	R298 V472 T488 N489 Y490	R298-A492 HydrophobicContact CG-CB 4.22Å; V472-A492 HydrophobicContact CG1-CB 4.46Å; V472-A492 HydrophobicContact CG2-CB 3.87Å; T488-A492 VanDerWaalsContact O-CB 3.25Å; T488-A492 WeakPolarHBondContact O-CB 3.13Å; T488-A492 PolarHBondContact O-N 3.04Å; N489-A492 PolarHBondContact O-N 2.82Å; Y490-A492 PolarHBondContact O-N 3.07Å
493	S	91	Very high	83	Confident	67 Å²	67	56.1 Å²	56.1	47%	0.469	33%	0.328	S	S	.	.	H	α-helix	trans	-79.3	-13.8	178.1	76	0	0	0	0	114.4	N489 Y490 L491 Q495	N489-S493 WeakPolarHBondContact O-CB 3.26Å; N489-S493 PolarHBondContact O-N 3.06Å; Y490-S493 PolarHBondContact O-N 2.89Å; Y490-S493 VanDerWaalsContact O-N 3.11Å; Y490-S493 PolarHBondContact O-OG 3.04Å; L491-S493 PolarHBondContact O-N 2.75Å; S493-Q495 PolarHBondContact O-N 3.26Å
494	L	90.4	Very high	82	Confident	8 Å²	8	55.6 Å²	55.6	4%	0.042	33%	0.327	C	S	.	.			trans	-70.3	130	-177.5	-61.4	178.2	0	0	0	111.4	L283 N286 Y490 L491 P501 P503	L283-L494 HydrophobicContact CD2-CB 3.88Å; N286-L494 PolarHBondContact ND2-O 3.04Å; Y490-L494 HydrophobicContact CD2-CD2 4.37Å; Y490-L494 HydrophobicContact CE1-CD1 4.44Å; Y490-L494 HydrophobicContact CE2-CD2 3.74Å; Y490-L494 WeakPolarHBondContact O-CG 3.36Å; Y490-L494 PolarHBondContact O-N 2.92Å; L491-L494 HydrophobicContact CD2-CD1 3.95Å; L491-L494 WeakPolarHBondContact O-CB 3.42Å; L491-L494 PolarHBondContact O-N 3.05Å; L494-P501 HydrophobicContact CD2-CB 4.36Å; L494-P503 HydrophobicContact CD1-CB 3.73Å; L494-P503 HydrophobicContact CD1-CG 3.92Å
495	Q	83.5	Confident	80.6	Confident	119 Å²	119	51.4 Å²	51.4	56%	0.556	31%	0.309	S	S	*	.			trans	-113.6	159.6	175.2	-60.3	-176.5	8.3	0	0	110.6	S493 F500	S493-Q495 PolarHBondContact O-N 3.26Å; Q495-F500 HydrophobicContact CB-CD1 3.79Å; Q495-F500 HydrophobicContact CB-CD2 4.16Å; Q495-F500 HydrophobicContact CB-CE1 3.74Å; Q495-F500 HydrophobicContact CB-CE2 4.1Å; Q495-F500 HydrophobicContact CB-CG 4Å; Q495-F500 HydrophobicContact CB-CZ 3.9Å; Q495-F500 HydrophobicContact CG-CD1 4.47Å; Q495-F500 HydrophobicContact CG-CE1 4.15Å; Q495-F500 HydrophobicContact CG-CZ 4.48Å; Q495-F500 WeakPolarHBondContact O-CB 3.44Å; Q495-F500 VanDerWaalsContact OE1-CE1 3.32Å
496	R	77	Confident	78.8	Confident	174 Å²	174	50.8 Å²	50.8	66%	0.657	30%	0.302	S	S	*	.			trans	-83.9	147.3	175	-65.1	176.7	66.7	179.8	0.6	110	L283 K284	L283-R496 HydrophobicContact CD2-CG 4.24Å; L283-R496 HydrophobicContact CG-CG 4.43Å; K284-R496 VanDerWaalsContact O-CD 3.29Å; K284-R496 WeakPolarHBondContact O-CD 3.34Å; K284-R496 PolarHBondContact O-NE 2.81Å; K284-R496 PolarHBondContact O-NH1 2.7Å; K284-R496 VanDerWaalsContact O-NH1 3.13Å
497	G	65	Low	76.4	Confident	55 Å²	55	53.1 Å²	53.1	57%	0.567	31%	0.307	S	S	*	.	S	Bend	trans	123.9	167.3	171	0	0	0	0	0	113.2
498	D	59.6	Low	74.1	Confident	172 Å²	172	53.5 Å²	53.5	92%	0.92	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	137.7	177.1	-63.6	-32.4	0	0	0	110.6
499	G	58	Low	71.6	Confident	88 Å²	88	56 Å²	56	91%	0.907	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.1	-8.6	-179.4	0	0	0	0	0	115.7
500	F	59.9	Low	68.8	Low	89 Å²	89	60 Å²	60	39%	0.39	34%	0.34	S	S	.	.	S	Bend	trans	-85.5	149.5	171.3	-69.4	-76.9	0	0	0	112.1	Q495 V502	Q495-F500 HydrophobicContact CB-CD1 3.79Å; Q495-F500 HydrophobicContact CB-CD2 4.16Å; Q495-F500 HydrophobicContact CB-CE1 3.74Å; Q495-F500 HydrophobicContact CB-CE2 4.1Å; Q495-F500 HydrophobicContact CB-CG 4Å; Q495-F500 HydrophobicContact CB-CZ 3.9Å; Q495-F500 HydrophobicContact CG-CD1 4.47Å; Q495-F500 HydrophobicContact CG-CE1 4.15Å; Q495-F500 HydrophobicContact CG-CZ 4.48Å; Q495-F500 WeakPolarHBondContact O-CB 3.44Å; Q495-F500 VanDerWaalsContact OE1-CE1 3.32Å; F500-V502 PolarHBondContact O-N 2.6Å
501	P	65.5	Low	65.9	Low	64 Å²	64	60.3 Å²	60.3	42%	0.416	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-59.2	124.2	177.4	-22.8	32.9	0	0	0	111.8	L494	L494-P501 HydrophobicContact CD2-CB 4.36Å
502	V	70.7	Confident	62.9	Low	69 Å²	69	65.3 Å²	65.3	42%	0.418	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-76.1	125.9	170.3	-176.6	0	0	0	0	108.5	L280 A281 F500	L280-V502 HydrophobicContact CB-CG1 4Å; A281-V502 WeakPolarHBondContact O-CG1 3.49Å; F500-V502 PolarHBondContact O-N 2.6Å
503	P	72	Confident	59.9	Low	1 Å²	1	72.1 Å²	72.1	1%	0.006	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-64.8	140.3	179	22.2	-27.9	0	0	0	111.3	A281 F302 L494	A281-P503 PolarHBondContact N-O 2.66Å; A281-P503 VanDerWaalsContact N-O 3.16Å; A281-P503 WeakPolarHBondContact O-CD 3.46Å; A281-P503 WeakPolarHBondContact O-CG 3.17Å; F302-P503 HydrophobicContact CD1-CB 4.31Å; F302-P503 HydrophobicContact CD1-CG 3.56Å; F302-P503 HydrophobicContact CE1-CB 3.77Å; F302-P503 HydrophobicContact CE1-CG 3.37Å; L494-P503 HydrophobicContact CD1-CB 3.73Å; L494-P503 HydrophobicContact CD1-CG 3.92Å
504	K	74.1	Confident	58.3	Low	17 Å²	17	72.4 Å²	72.4	7%	0.074	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	116.3	175	-61.5	160.6	-170.2	-174.9	0	107.9	G258 Y266 P278 L280 Y320	G258-K504 PolarHBondContact O-NZ 2.74Å; Y266-K504 HydrophobicContact CE2-CD 3.98Å; Y266-K504 HydrophobicContact CE2-CG 4.39Å; Y266-K504 WeakPolarHBondContact OH-CD 3.32Å; P278-K504 HydrophobicContact CG-CB 4.47Å; L280-K504 HydrophobicContact CD2-CB 4.37Å; L280-K504 HydrophobicContact CD2-CG 3.66Å; Y320-K504 HydrophobicContact CD2-CB 4.26Å; Y320-K504 HydrophobicContact CG-CB 4.4Å; Y320-K504 PolarHBondContact N-O 2.84Å
505	V	66.7	Low	56.6	Low	1 Å²	1	75.8 Å²	75.8	1%	0.006	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.4	177.1	-53.4	0	0	0	0	110.7	P278 F279 A281 F302 L317 A318 V319	P278-V505 WeakPolarHBondContact CB-O 3.47Å; F279-V505 HydrophobicContact CD1-CG2 4.49Å; F279-V505 PolarHBondContact N-O 3.21Å; F279-V505 PolarHBondContact O-N 2.86Å; F279-V505 VanDerWaalsContact O-O 3.13Å; A281-V505 HydrophobicContact CB-CB 4.41Å; A281-V505 HydrophobicContact CB-CG1 4.25Å; A281-V505 HydrophobicContact CB-CG2 3.3Å; F302-V505 HydrophobicContact CD1-CG1 4.24Å; F302-V505 HydrophobicContact CE1-CG1 4.31Å; F302-V505 HydrophobicContact CG-CG1 4.36Å; F302-V505 HydrophobicContact CZ-CG1 4.48Å; L317-V505 HydrophobicContact CD1-CB 3.93Å; L317-V505 HydrophobicContact CD1-CG1 4.47Å; L317-V505 HydrophobicContact CD1-CG2 4.25Å; L317-V505 HydrophobicContact CD2-CG1 4.17Å; L317-V505 HydrophobicContact CG-CB 4.25Å; L317-V505 HydrophobicContact CG-CG1 4.4Å; A318-V505 CarbonylContact O-C 3.55Å; A318-V505 VanDerWaalsContact O-CA 3.22Å; A318-V505 WeakPolarHBondContact O-CA 3.32Å; V319-V505 HydrophobicContact CG2-CG1 4.48Å
506	G	57.5	Low	55.1	Low	4 Å²	4	73.4 Å²	73.4	4%	0.041	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	157.2	162.9	0	0	0	0	0	109.5	A318	A318-G506 WeakPolarHBondContact CB-O 3.45Å; A318-G506 PolarHBondContact N-O 3.38Å; A318-G506 PolarHBondContact O-N 3.38Å
507	W	46.1	Very low	53.8	Low	78 Å²	78	67.5 Å²	67.5	30%	0.295	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	141.1	168.6	173.9	81.7	0	0	0	108.9	L309 D315	L309-W507 HydrophobicContact CD2-CB 4.48Å; D315-W507 PolarHBondContact OD2-NE1 3.37Å
508	S	47.5	Very low	53.1	Low	19 Å²	19	68.3 Å²	68.3	13%	0.133	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	122.3	166.9	-172.4	0	0	0	0	107.7
509	S	41.7	Very low	52.7	Low	66 Å²	66	61.3 Å²	61.3	46%	0.462	34%	0.339	S	S	.	.			trans	-58.7	144.3	165.3	43	0	0	0	0	109.8	L511	S509-L511 PolarHBondContact O-N 3.45Å
510	R	37.5	Very low	52.3	Low	121 Å²	121	59.4 Å²	59.4	46%	0.457	30%	0.298	S	S	.	.			trans	3.5	87.4	169.5	-68.9	-172.9	-155.7	-179.3	8.4	114.7	E312 D315 L512	E312-R510 IonicContact OE2-CZ 3.69Å; E312-R510 IonicContact OE2-NE 3.61Å; E312-R510 IonicContact OE2-NH2 3.91Å; E312-R510 PolarHBondContact OE2-NH2 3.09Å; D315-R510 PolarHBondContact OD1-N 2.86Å; D315-R510 VanDerWaalsContact OD1-N 3.16Å; R510-L512 VanDerWaalsContact C-N 3.26Å; R510-L512 HydrophobicContact CB-CG 4.5Å; R510-L512 PolarHBondContact O-N 3.07Å
511	L	33.8	Very low	51.7	Low	23 Å²	23	57.2 Å²	57.2	12%	0.12	29%	0.291	C	S	.	.			trans	-72.8	96.4	147.5	-63.1	164.1	0	0	0	103.5	Y137 Y452 S509 H513	Y137-L511 HydrophobicContact CD1-CD2 4.4Å; Y137-L511 HydrophobicContact CE1-CB 4.19Å; Y137-L511 HydrophobicContact CE1-CD2 3.53Å; Y137-L511 HydrophobicContact CE1-CG 4.33Å; Y452-L511 HydrophobicContact CD1-CD1 4.06Å; Y452-L511 HydrophobicContact CE1-CD1 4.05Å; Y452-L511 HydrophobicContact CG-CD1 4.41Å; S509-L511 PolarHBondContact O-N 3.45Å; L511-H513 PolarHBondContact O-N 3.41Å
512	L	30.2	Very low	50.6	Low	105 Å²	105	56.6 Å²	56.6	55%	0.55	28%	0.281	S	S	.	.			trans	-59.8	130.6	172.3	-74.4	162.6	0	0	0	106.9	R510	R510-L512 VanDerWaalsContact C-N 3.26Å; R510-L512 HydrophobicContact CB-CG 4.5Å; R510-L512 PolarHBondContact O-N 3.07Å
513	H	29.2	Very low	48.8	Very low	175 Å²	175	55.5 Å²	55.5	81%	0.81	27%	0.269	S	S	*	.			trans	-54.1	0	173.6	-93.4	-62.7	0	0	0	111	L511	L511-H513 PolarHBondContact O-N 3.41Å

Retrieved 513 of 513 residues in 512 ms (Link to these results)

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