A0A077Z6N9_TRITR Loading...

ceramide glucosyltransferase

AlphaFold DB , UniProt , Accession A0A077Z6N9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 400 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	60.2	Low	74.6	Confident	223 Å²	223	134.4 Å²	134.4	100%	1.099	62%	0.624	S	S	*	*				0	-27.7	0	-149.1	161	65.4	0	0	112.3
2	D	77.1	Confident	75.7	Confident	135 Å²	135	130.8 Å²	130.8	72%	0.722	61%	0.607	S	S	*	*	H	α-helix	trans	-70.9	-35	-176.5	-87.2	-47.6	0	0	0	117.6	Q4 Y6	D2-Q4 PolarHBondContact O-N 3.11Å; D2-Y6 VanDerWaalsContact O-CB 3.24Å; D2-Y6 WeakPolarHBondContact O-CB 3.49Å; D2-Y6 PolarHBondContact O-N 2.69Å
3	L	73.9	Confident	76.9	Confident	116 Å²	116	132.9 Å²	132.9	61%	0.607	61%	0.609	S	S	*	*	H	α-helix	trans	-71.6	-35.7	-171.1	-160.8	70.5	0	0	0	113.2	R7	L3-R7 WeakPolarHBondContact O-CB 3.24Å; L3-R7 VanDerWaalsContact O-CG 3.29Å; L3-R7 WeakPolarHBondContact O-CG 3.44Å; L3-R7 PolarHBondContact O-N 3.02Å; L3-R7 VanDerWaalsContact O-N 3.07Å
4	Q	71.7	Confident	78.1	Confident	167 Å²	167	130.4 Å²	130.4	78%	0.78	61%	0.607	S	S	*	*	H	α-helix	trans	-73	-42.5	177.8	-82.3	-173.9	-25.2	0	0	111.5	D2 Y6 R7 F8	D2-Q4 PolarHBondContact O-N 3.11Å; Q4-Y6 VanDerWaalsContact C-N 3.34Å; Q4-R7 PolarHBondContact O-N 3Å; Q4-F8 WeakPolarHBondContact O-CB 3.44Å; Q4-F8 PolarHBondContact O-N 2.99Å
5	L	70.6	Confident	79.2	Confident	98 Å²	98	125.3 Å²	125.3	51%	0.513	59%	0.589	S	S	.	*	H	α-helix	trans	-62.8	-42.4	175.4	-173.8	64.2	0	0	0	111.1	R7 F8 L9	L5-R7 PolarHBondContact O-N 2.92Å; L5-F8 PolarHBondContact O-N 3.06Å; L5-L9 HydrophobicContact CG-CD1 4.15Å; L5-L9 WeakPolarHBondContact O-CB 3.24Å; L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.29Å; L5-L9 PolarHBondContact O-N 2.92Å
6	Y	73.2	Confident	80.3	Confident	122 Å²	122	123.9 Å²	123.9	48%	0.478	58%	0.58	S	S	.	*	H	α-helix	trans	-62.7	-42	175.5	-175.7	-100.3	0	0	0	113	D2 Q4 R10	D2-Y6 VanDerWaalsContact O-CB 3.24Å; D2-Y6 WeakPolarHBondContact O-CB 3.49Å; D2-Y6 PolarHBondContact O-N 2.69Å; Q4-Y6 VanDerWaalsContact C-N 3.34Å; Y6-R10 HydrophobicContact CE1-CG 4.17Å; Y6-R10 WeakPolarHBondContact O-CB 3.21Å; Y6-R10 PolarHBondContact O-N 2.9Å; Y6-R10 PolarHBondContact OH-NE 3.2Å; Y6-R10 PolarHBondContact OH-NH2 3.35Å
7	R	73.8	Confident	81.2	Confident	169 Å²	169	120.6 Å²	120.6	64%	0.638	57%	0.573	S	S	*	*	H	α-helix	trans	-65.4	-40.3	175.3	-76.9	177.7	-178.4	-171.2	1.2	112	L3 Q4 L5 R10 L11	L3-R7 WeakPolarHBondContact O-CB 3.24Å; L3-R7 VanDerWaalsContact O-CG 3.29Å; L3-R7 WeakPolarHBondContact O-CG 3.44Å; L3-R7 PolarHBondContact O-N 3.02Å; L3-R7 VanDerWaalsContact O-N 3.07Å; Q4-R7 PolarHBondContact O-N 3Å; L5-R7 PolarHBondContact O-N 2.92Å; R7-R10 PolarHBondContact O-N 3.04Å; R7-L11 PolarHBondContact O-N 3.05Å
8	F	73.7	Confident	82	Confident	113 Å²	113	116.5 Å²	116.5	50%	0.496	56%	0.563	S	S	.	*	H	α-helix	trans	-62.6	-50.7	176.9	-177.8	-97	0	0	0	111.1	Q4 L5 R10 L11 E12	Q4-F8 WeakPolarHBondContact O-CB 3.44Å; Q4-F8 PolarHBondContact O-N 2.99Å; L5-F8 PolarHBondContact O-N 3.06Å; F8-R10 VanDerWaalsContact C-N 3.34Å; F8-R10 PolarHBondContact O-N 2.83Å; F8-L11 PolarHBondContact O-N 3.16Å; F8-L11 VanDerWaalsContact O-N 3.08Å; F8-E12 HydrophobicContact CD1-CG 4.37Å; F8-E12 HydrophobicContact CE1-CG 3.98Å; F8-E12 WeakPolarHBondContact CE1-OE1 3.48Å; F8-E12 HydrophobicContact CZ-CG 4.15Å; F8-E12 WeakPolarHBondContact CZ-OE1 3.39Å; F8-E12 PolarHBondContact O-N 3.11Å
9	L	76.2	Confident	82.8	Confident	68 Å²	68	111.3 Å²	111.3	36%	0.356	54%	0.539	S	S	.	.	H	α-helix	trans	-57.7	-45.2	175.6	-71.4	168.1	0	0	0	111.6	L5 L11 E12 Y13	L5-L9 HydrophobicContact CG-CD1 4.15Å; L5-L9 WeakPolarHBondContact O-CB 3.24Å; L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.29Å; L5-L9 PolarHBondContact O-N 2.92Å; L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 PolarHBondContact O-N 3.42Å; L9-E12 PolarHBondContact O-N 2.94Å; L9-Y13 HydrophobicContact CB-CE2 4.42Å; L9-Y13 WeakPolarHBondContact O-CD2 3.45Å; L9-Y13 PolarHBondContact O-N 3.45Å
10	R	81.9	Confident	83.6	Confident	154 Å²	154	108.1 Å²	108.1	58%	0.581	53%	0.526	S	S	*	.	H	α-helix	trans	-58.4	-42.9	175	-89.7	-162.7	-178.2	-152.8	5	112.5	Y6 R7 F8 Y13 V14	Y6-R10 HydrophobicContact CE1-CG 4.17Å; Y6-R10 WeakPolarHBondContact O-CB 3.21Å; Y6-R10 PolarHBondContact O-N 2.9Å; Y6-R10 PolarHBondContact OH-NE 3.2Å; Y6-R10 PolarHBondContact OH-NH2 3.35Å; R7-R10 PolarHBondContact O-N 3.04Å; F8-R10 VanDerWaalsContact C-N 3.34Å; F8-R10 PolarHBondContact O-N 2.83Å; R10-Y13 PolarHBondContact O-N 2.88Å; R10-V14 VanDerWaalsContact O-CG2 3.28Å; R10-V14 WeakPolarHBondContact O-CG2 3.28Å; R10-V14 PolarHBondContact O-N 3.47Å
11	L	87.8	Confident	84.2	Confident	113 Å²	113	108.3 Å²	108.3	59%	0.592	53%	0.529	S	S	*	.	H	α-helix	trans	-65.4	-43	179.6	-174.9	64.2	0	0	0	111	R7 F8 L9 Y13 V14 V15	R7-L11 PolarHBondContact O-N 3.05Å; F8-L11 PolarHBondContact O-N 3.16Å; F8-L11 VanDerWaalsContact O-N 3.08Å; L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 PolarHBondContact O-N 3.42Å; L11-Y13 PolarHBondContact O-N 3.36Å; L11-V14 PolarHBondContact O-N 2.87Å; L11-V15 WeakPolarHBondContact O-CG2 3.32Å; L11-V15 PolarHBondContact O-N 2.51Å
12	E	88	Confident	85.9	Confident	91 Å²	91	99.5 Å²	99.5	43%	0.425	49%	0.489	S	S	.	.	H	α-helix	trans	-60	-44	175.4	-72.3	-169.5	149.1	0	0	112	F8 L9 V14 V15 F16	F8-E12 HydrophobicContact CD1-CG 4.37Å; F8-E12 HydrophobicContact CE1-CG 3.98Å; F8-E12 WeakPolarHBondContact CE1-OE1 3.48Å; F8-E12 HydrophobicContact CZ-CG 4.15Å; F8-E12 WeakPolarHBondContact CZ-OE1 3.39Å; F8-E12 PolarHBondContact O-N 3.11Å; L9-E12 PolarHBondContact O-N 2.94Å; E12-V14 PolarHBondContact O-N 2.74Å; E12-V15 PolarHBondContact O-N 3.29Å; E12-F16 VanDerWaalsContact O-CB 3.27Å; E12-F16 WeakPolarHBondContact O-CB 3.39Å; E12-F16 PolarHBondContact O-N 2.65Å
13	Y	91.7	Very high	86.9	Confident	159 Å²	159	94.9 Å²	94.9	62%	0.624	46%	0.462	S	S	*	.	H	α-helix	trans	-62.3	-41.9	175.3	-76.6	-64.5	0	0	0	112.5	L9 R10 L11 F16 C17	L9-Y13 HydrophobicContact CB-CE2 4.42Å; L9-Y13 WeakPolarHBondContact O-CD2 3.45Å; L9-Y13 PolarHBondContact O-N 3.45Å; R10-Y13 PolarHBondContact O-N 2.88Å; L11-Y13 PolarHBondContact O-N 3.36Å; Y13-F16 PolarHBondContact O-N 3.29Å; Y13-C17 WeakPolarHBondContact O-CB 3.2Å; Y13-C17 PolarHBondContact O-N 2.89Å; Y13-C17 PolarHBondContact O-SG 3.46Å
14	V	93.9	Very high	88	Confident	97 Å²	97	94.7 Å²	94.7	59%	0.588	46%	0.461	S	S	*	.	H	α-helix	trans	-64	-44.9	177.9	170.8	0	0	0	0	111	R10 L11 E12 C17 A18	R10-V14 VanDerWaalsContact O-CG2 3.28Å; R10-V14 WeakPolarHBondContact O-CG2 3.28Å; R10-V14 PolarHBondContact O-N 3.47Å; L11-V14 PolarHBondContact O-N 2.87Å; E12-V14 PolarHBondContact O-N 2.74Å; V14-C17 PolarHBondContact O-N 3.5Å; V14-A18 WeakPolarHBondContact O-CB 3.5Å; V14-A18 PolarHBondContact O-N 3.02Å
15	V	94.3	Very high	89.2	Confident	55 Å²	55	89.9 Å²	89.9	33%	0.333	44%	0.438	S	S	.	.	H	α-helix	trans	-63.1	-45.8	176.8	172.7	0	0	0	0	110.4	L11 E12 C17 A18 C19 F316	L11-V15 WeakPolarHBondContact O-CG2 3.32Å; L11-V15 PolarHBondContact O-N 2.51Å; E12-V15 PolarHBondContact O-N 3.29Å; V15-C17 PolarHBondContact O-N 2.92Å; V15-A18 PolarHBondContact O-N 3.38Å; V15-C19 WeakPolarHBondContact O-CB 3.12Å; V15-C19 PolarHBondContact O-N 3.17Å; V15-C19 PolarHBondContact O-SG 3.07Å; V15-C19 VanDerWaalsContact O-SG 3.32Å; V15-F316 HydrophobicContact CB-CZ 4.46Å; V15-F316 HydrophobicContact CG1-CD1 4.45Å; V15-F316 HydrophobicContact CG1-CD2 4.15Å; V15-F316 HydrophobicContact CG1-CE1 4.14Å; V15-F316 HydrophobicContact CG1-CE2 3.81Å; V15-F316 HydrophobicContact CG1-CG 4.45Å; V15-F316 HydrophobicContact CG1-CZ 3.81Å
16	F	96	Very high	90.5	Very high	102 Å²	102	87.3 Å²	87.3	45%	0.447	42%	0.421	S	S	.	.	H	α-helix	trans	-56.9	-50.3	176.7	178.6	-96	0	0	0	111.6	E12 Y13 A18 C19 V20 F316 L317	E12-F16 VanDerWaalsContact O-CB 3.27Å; E12-F16 WeakPolarHBondContact O-CB 3.39Å; E12-F16 PolarHBondContact O-N 2.65Å; Y13-F16 PolarHBondContact O-N 3.29Å; F16-A18 VanDerWaalsContact C-N 3.34Å; F16-A18 PolarHBondContact O-N 3.05Å; F16-C19 PolarHBondContact O-N 3.18Å; F16-V20 HydrophobicContact CD1-CG2 4.26Å; F16-V20 HydrophobicContact CE1-CG2 3.87Å; F16-V20 HydrophobicContact CE2-CG2 4.31Å; F16-V20 HydrophobicContact CZ-CG2 3.89Å; F16-V20 WeakPolarHBondContact O-CG2 3.19Å; F16-V20 PolarHBondContact O-N 3.16Å; F16-F316 HydrophobicContact CB-CE1 4.05Å; F16-F316 HydrophobicContact CD2-CE1 4.12Å; F16-L317 HydrophobicContact CD2-CD2 3.68Å; F16-L317 HydrophobicContact CE2-CD2 3.53Å; F16-L317 HydrophobicContact CZ-CD2 4.4Å
17	C	96.3	Very high	91.6	Very high	68 Å²	68	83.3 Å²	83.3	46%	0.459	41%	0.414	S	S	.	.	H	α-helix	trans	-59.7	-43.2	176.7	-71.6	0	0	0	0	112.3	Y13 V14 V15 V20 I21	Y13-C17 WeakPolarHBondContact O-CB 3.2Å; Y13-C17 PolarHBondContact O-N 2.89Å; Y13-C17 PolarHBondContact O-SG 3.46Å; V14-C17 PolarHBondContact O-N 3.5Å; V15-C17 PolarHBondContact O-N 2.92Å; C17-V20 PolarHBondContact O-N 3.33Å; C17-I21 VanDerWaalsContact O-CG1 3.28Å; C17-I21 WeakPolarHBondContact O-CG1 3.33Å; C17-I21 PolarHBondContact O-N 3.39Å
18	A	96.2	Very high	92.7	Very high	47 Å²	47	77 Å²	77	39%	0.388	40%	0.402	S	S	.	.	H	α-helix	trans	-62.5	-45.2	177.5	0	0	0	0	0	111.9	V14 V15 F16 V20 I21 C22	V14-A18 WeakPolarHBondContact O-CB 3.5Å; V14-A18 PolarHBondContact O-N 3.02Å; V15-A18 PolarHBondContact O-N 3.38Å; F16-A18 VanDerWaalsContact C-N 3.34Å; F16-A18 PolarHBondContact O-N 3.05Å; A18-V20 PolarHBondContact O-N 3.43Å; A18-I21 PolarHBondContact O-N 3.25Å; A18-C22 PolarHBondContact O-N 2.9Å; A18-C22 PolarHBondContact O-SG 3.19Å; A18-C22 VanDerWaalsContact O-SG 3.36Å
19	C	97.5	Very high	93.8	Very high	17 Å²	17	72.4 Å²	72.4	12%	0.115	38%	0.381	C	S	.	.	H	α-helix	trans	-62	-42.1	176.3	-69.1	0	0	0	0	111.8	V15 F16 I21 C22 F23 A313 F316 L317	V15-C19 WeakPolarHBondContact O-CB 3.12Å; V15-C19 PolarHBondContact O-N 3.17Å; V15-C19 PolarHBondContact O-SG 3.07Å; V15-C19 VanDerWaalsContact O-SG 3.32Å; F16-C19 PolarHBondContact O-N 3.18Å; C19-I21 PolarHBondContact O-N 3.25Å; C19-C22 PolarHBondContact O-N 2.83Å; C19-F23 WeakPolarHBondContact O-CB 3.49Å; C19-F23 PolarHBondContact O-N 3.07Å; C19-A313 HydrophobicContact CB-CB 3.93Å; C19-A313 WeakPolarHBondContact O-CB 3.45Å; C19-F316 HydrophobicContact CB-CD1 4.08Å; C19-L317 HydrophobicContact CB-CD1 4.04Å; C19-L317 HydrophobicContact CB-CD2 4.18Å; C19-L317 HydrophobicContact CB-CG 3.94Å
20	V	97.9	Very high	94.9	Very high	47 Å²	47	71 Å²	71	29%	0.285	37%	0.371	S	S	.	.	H	α-helix	trans	-60.1	-46.5	175.1	170.7	0	0	0	0	110.6	F16 C17 A18 F23 L24 L317	F16-V20 HydrophobicContact CD1-CG2 4.26Å; F16-V20 HydrophobicContact CE1-CG2 3.87Å; F16-V20 HydrophobicContact CE2-CG2 4.31Å; F16-V20 HydrophobicContact CZ-CG2 3.89Å; F16-V20 WeakPolarHBondContact O-CG2 3.19Å; F16-V20 PolarHBondContact O-N 3.16Å; C17-V20 PolarHBondContact O-N 3.33Å; A18-V20 PolarHBondContact O-N 3.43Å; V20-F23 PolarHBondContact O-N 2.56Å; V20-L24 HydrophobicContact CG1-CD1 3.8Å; V20-L24 HydrophobicContact CG1-CG 4.24Å; V20-L24 WeakPolarHBondContact O-CB 3.43Å; V20-L24 VanDerWaalsContact O-CG 3.26Å; V20-L24 WeakPolarHBondContact O-CG 3.38Å; V20-L24 PolarHBondContact O-N 2.8Å; V20-L317 HydrophobicContact CG2-CD1 4.29Å; V20-L317 HydrophobicContact CG2-CD2 3.95Å
21	I	96.6	Very high	95.6	Very high	114 Å²	114	66.9 Å²	66.9	59%	0.585	37%	0.366	S	S	*	.	H	α-helix	trans	-61.2	-47.2	178	-68.7	164.3	0	0	0	111.1	C17 A18 C19 F23 L24 F25	C17-I21 VanDerWaalsContact O-CG1 3.28Å; C17-I21 WeakPolarHBondContact O-CG1 3.33Å; C17-I21 PolarHBondContact O-N 3.39Å; A18-I21 PolarHBondContact O-N 3.25Å; C19-I21 PolarHBondContact O-N 3.25Å; I21-F23 VanDerWaalsContact C-N 3.34Å; I21-F23 PolarHBondContact O-N 3Å; I21-L24 PolarHBondContact O-N 2.89Å; I21-F25 VanDerWaalsContact O-CB 3.3Å; I21-F25 WeakPolarHBondContact O-CB 3.48Å; I21-F25 PolarHBondContact O-N 3.27Å
22	C	96.4	Very high	96	Very high	37 Å²	37	63.1 Å²	63.1	25%	0.25	35%	0.348	C	S	.	.	H	α-helix	trans	-60.2	-43.3	177.9	-71.7	0	0	0	0	112.1	A18 C19 F25 W26 A313	A18-C22 PolarHBondContact O-N 2.9Å; A18-C22 PolarHBondContact O-SG 3.19Å; A18-C22 VanDerWaalsContact O-SG 3.36Å; C19-C22 PolarHBondContact O-N 2.83Å; C22-F25 PolarHBondContact O-N 3.01Å; C22-W26 WeakPolarHBondContact O-CB 3.32Å; C22-W26 PolarHBondContact O-N 3.33Å; C22-A313 HydrophobicContact CB-CB 4.05Å
23	F	97.2	Very high	96.5	Very high	39 Å²	39	58.8 Å²	58.8	17%	0.171	33%	0.327	C	S	.	.	H	α-helix	trans	-68.4	-41.8	179.5	-170	-96.8	0	0	0	112.1	C19 V20 I21 W26 A27 A313 L317 F318 W320	C19-F23 WeakPolarHBondContact O-CB 3.49Å; C19-F23 PolarHBondContact O-N 3.07Å; V20-F23 PolarHBondContact O-N 2.56Å; I21-F23 VanDerWaalsContact C-N 3.34Å; I21-F23 PolarHBondContact O-N 3Å; F23-W26 HydrophobicContact CD2-CE3 4.15Å; F23-W26 HydrophobicContact CD2-CZ3 4.49Å; F23-W26 HydrophobicContact CE1-CZ3 4.47Å; F23-W26 AromaticContact CE2-CE3 3.87Å; F23-W26 HydrophobicContact CE2-CE3 3.87Å; F23-W26 AromaticContact CE2-CZ3 3.77Å; F23-W26 HydrophobicContact CE2-CZ3 3.77Å; F23-W26 HydrophobicContact CZ-CE3 4.13Å; F23-W26 AromaticContact CZ-CZ3 3.76Å; F23-W26 HydrophobicContact CZ-CZ3 3.76Å; F23-W26 PolarHBondContact O-N 2.89Å; F23-A27 WeakPolarHBondContact O-CB 3.38Å; F23-A27 PolarHBondContact O-N 3.11Å; F23-A313 HydrophobicContact CB-CB 4.44Å; F23-L317 HydrophobicContact CB-CD1 4.1Å; F23-F318 HydrophobicContact CD1-CE2 4.14Å; F23-F318 HydrophobicContact CD1-CZ 4.35Å; F23-F318 AromaticContact CD2-CE2 3.95Å; F23-F318 HydrophobicContact CD2-CE2 3.95Å; F23-F318 AromaticContact CE1-CE2 3.88Å; F23-F318 HydrophobicContact CE1-CE2 3.88Å; F23-F318 HydrophobicContact CE1-CZ 4.08Å; F23-F318 HydrophobicContact CE2-CD2 4.36Å; F23-F318 AromaticContact CE2-CE2 3.68Å; F23-F318 HydrophobicContact CE2-CE2 3.68Å; F23-F318 HydrophobicContact CG-CE2 4.18Å; F23-F318 AromaticContact CZ-CE2 3.63Å; F23-F318 HydrophobicContact CZ-CE2 3.63Å; F23-F318 HydrophobicContact CZ-CZ 4.24Å; F23-W320 HydrophobicContact CE2-CZ3 4.46Å
24	L	97.4	Very high	96.8	Very high	112 Å²	112	55.5 Å²	55.5	59%	0.586	32%	0.32	S	S	*	.	H	α-helix	trans	-64.3	-41.3	174.8	-71.3	176.9	0	0	0	112	V20 I21 A27 G28	V20-L24 HydrophobicContact CG1-CD1 3.8Å; V20-L24 HydrophobicContact CG1-CG 4.24Å; V20-L24 WeakPolarHBondContact O-CB 3.43Å; V20-L24 VanDerWaalsContact O-CG 3.26Å; V20-L24 WeakPolarHBondContact O-CG 3.38Å; V20-L24 PolarHBondContact O-N 2.8Å; I21-L24 PolarHBondContact O-N 2.89Å; L24-A27 PolarHBondContact O-N 3.23Å; L24-G28 PolarHBondContact O-N 3.32Å
25	F	96.9	Very high	96.9	Very high	65 Å²	65	55.1 Å²	55.1	29%	0.285	31%	0.314	S	S	.	.	H	α-helix	trans	-62.7	-44.9	175.7	-177.7	-97	0	0	0	111.3	I21 C22 G28 Y29 L297 F300 Q301 L306	I21-F25 VanDerWaalsContact O-CB 3.3Å; I21-F25 WeakPolarHBondContact O-CB 3.48Å; I21-F25 PolarHBondContact O-N 3.27Å; C22-F25 PolarHBondContact O-N 3.01Å; F25-G28 PolarHBondContact O-N 3.09Å; F25-Y29 WeakPolarHBondContact O-CB 3.3Å; F25-Y29 PolarHBondContact O-N 3.1Å; F25-L297 HydrophobicContact CE2-CD2 4.23Å; F25-F300 HydrophobicContact CE1-CB 3.84Å; F25-F300 WeakPolarHBondContact CE1-O 3.3Å; F25-F300 HydrophobicContact CZ-CB 4.26Å; F25-Q301 HydrophobicContact CZ-CG 4.26Å; F25-L306 HydrophobicContact CD1-CD1 3.59Å; F25-L306 HydrophobicContact CE1-CD1 3.9Å; F25-L306 HydrophobicContact CE1-CD2 4.44Å
26	W	97.6	Very high	97.1	Very high	44 Å²	44	52.5 Å²	52.5	17%	0.167	30%	0.298	C	S	.	.	H	α-helix	trans	-57.2	-48.8	173.4	169	89	0	0	0	112.5	C22 F23 G28 Y29 W30 L306 A310 F325 H329	C22-W26 WeakPolarHBondContact O-CB 3.32Å; C22-W26 PolarHBondContact O-N 3.33Å; F23-W26 HydrophobicContact CD2-CE3 4.15Å; F23-W26 HydrophobicContact CD2-CZ3 4.49Å; F23-W26 HydrophobicContact CE1-CZ3 4.47Å; F23-W26 AromaticContact CE2-CE3 3.87Å; F23-W26 HydrophobicContact CE2-CE3 3.87Å; F23-W26 AromaticContact CE2-CZ3 3.77Å; F23-W26 HydrophobicContact CE2-CZ3 3.77Å; F23-W26 HydrophobicContact CZ-CE3 4.13Å; F23-W26 AromaticContact CZ-CZ3 3.76Å; F23-W26 HydrophobicContact CZ-CZ3 3.76Å; F23-W26 PolarHBondContact O-N 2.89Å; W26-G28 PolarHBondContact O-N 3.4Å; W26-Y29 PolarHBondContact O-N 3.48Å; W26-W30 AromaticContact CD1-NE1 3.84Å; W26-W30 AromaticContact CD2-CD1 3.84Å; W26-W30 AromaticContact CE2-CD1 3.41Å; W26-W30 VanDerWaalsContact CE2-CD1 3.41Å; W26-W30 AromaticContact CE2-NE1 3.16Å; W26-W30 AromaticContact CZ2-CD1 3.62Å; W26-W30 AromaticContact CZ2-NE1 3.33Å; W26-W30 VanDerWaalsContact CZ2-NE1 3.33Å; W26-W30 AromaticContact NE1-CD1 3.64Å; W26-W30 AromaticContact NE1-NE1 3.07Å; W26-W30 PolarHBondContact O-N 3.33Å; W26-W30 VanDerWaalsContact O-N 3.1Å; W26-L306 HydrophobicContact CB-CD1 3.98Å; W26-L306 HydrophobicContact CB-CG 4.39Å; W26-A310 HydrophobicContact CB-CB 3.8Å; W26-A310 HydrophobicContact CD2-CB 4.15Å; W26-A310 HydrophobicContact CG-CB 3.49Å; W26-A310 VanDerWaalsContact CG-CB 3.49Å; W26-F325 HydrophobicContact CD2-CZ 4.28Å; W26-F325 AromaticContact CE2-CZ 3.68Å; W26-F325 HydrophobicContact CH2-CE2 4.24Å; W26-F325 AromaticContact CH2-CZ 3.98Å; W26-F325 HydrophobicContact CH2-CZ 3.98Å; W26-F325 HydrophobicContact CZ2-CE1 4.45Å; W26-F325 HydrophobicContact CZ2-CE2 4.12Å; W26-F325 AromaticContact CZ2-CZ 3.54Å; W26-F325 HydrophobicContact CZ2-CZ 3.54Å; W26-F325 HydrophobicContact CZ3-CZ 4.49Å; W26-H329 AromaticContact CD1-CE1 3.77Å; W26-H329 AromaticContact CD1-ND1 3.71Å; W26-H329 AromaticContact NE1-CE1 3.47Å; W26-H329 PolarHBondContact NE1-CE1 3.08Å; W26-H329 AromaticContact NE1-CG 4Å; W26-H329 AromaticContact NE1-ND1 2.94Å; W26-H329 PolarHBondContact NE1-ND1 3.29Å
27	A	97.2	Very high	97.2	Very high	38 Å²	38	48.6 Å²	48.6	31%	0.314	28%	0.282	S	S	.	.	H	α-helix	trans	-63.8	-41.6	178.9	0	0	0	0	0	112.1	F23 L24 Y29 W30 S31	F23-A27 WeakPolarHBondContact O-CB 3.38Å; F23-A27 PolarHBondContact O-N 3.11Å; L24-A27 PolarHBondContact O-N 3.23Å; A27-Y29 VanDerWaalsContact C-N 3.32Å; A27-Y29 PolarHBondContact O-N 3.09Å; A27-W30 PolarHBondContact O-N 3.18Å; A27-S31 PolarHBondContact O-N 3.04Å; A27-S31 PolarHBondContact O-OG 2.87Å
28	G	97	Very high	97.3	Very high	38 Å²	38	49.3 Å²	49.3	39%	0.392	28%	0.284	S	S	.	.	H	α-helix	trans	-61.9	-39.9	174.6	0	0	0	0	0	112.3	L24 F25 W26 W30 S31 V32	L24-G28 PolarHBondContact O-N 3.32Å; F25-G28 PolarHBondContact O-N 3.09Å; W26-G28 PolarHBondContact O-N 3.4Å; G28-W30 PolarHBondContact O-N 3.03Å; G28-S31 WeakPolarHBondContact O-CA 3.35Å; G28-S31 VanDerWaalsContact O-CB 3.23Å; G28-S31 WeakPolarHBondContact O-CB 3.41Å; G28-S31 PolarHBondContact O-N 3.45Å; G28-S31 VanDerWaalsContact O-N 3.08Å; G28-V32 PolarHBondContact O-N 2.89Å
29	Y	96.7	Very high	97.4	Very high	15 Å²	15	49.8 Å²	49.8	6%	0.059	28%	0.276	C	S	.	.	H	α-helix	trans	-71.6	-30.1	-179.1	-156.7	-94.5	0	0	0	113.1	F25 W26 A27 S31 V32 H33 I203 Q301 L306 W333	F25-Y29 WeakPolarHBondContact O-CB 3.3Å; F25-Y29 PolarHBondContact O-N 3.1Å; W26-Y29 PolarHBondContact O-N 3.48Å; A27-Y29 VanDerWaalsContact C-N 3.32Å; A27-Y29 PolarHBondContact O-N 3.09Å; Y29-S31 PolarHBondContact O-N 3.44Å; Y29-V32 HydrophobicContact CD2-CB 4.46Å; Y29-V32 HydrophobicContact CE2-CG1 4.39Å; Y29-V32 WeakPolarHBondContact O-CB 3.34Å; Y29-V32 PolarHBondContact O-N 3.26Å; Y29-V32 VanDerWaalsContact O-N 3.14Å; Y29-H33 PolarHBondContact O-N 3.37Å; Y29-I203 HydrophobicContact CE2-CD1 4.19Å; Y29-I203 WeakPolarHBondContact OH-CD1 3.39Å; Y29-Q301 HydrophobicContact CD2-CG 4.16Å; Y29-Q301 WeakPolarHBondContact CE1-O 3.49Å; Y29-Q301 HydrophobicContact CE2-CB 3.77Å; Y29-Q301 HydrophobicContact CE2-CG 3.46Å; Y29-Q301 VanDerWaalsContact CE2-CG 3.46Å; Y29-Q301 WeakPolarHBondContact OH-CB 3.49Å; Y29-Q301 PolarHBondContact OH-O 3.18Å; Y29-L306 HydrophobicContact CD1-CD2 3.94Å; Y29-L306 HydrophobicContact CG-CD2 4.02Å; Y29-W333 AromaticContact CD1-CH2 3.35Å; Y29-W333 HydrophobicContact CD1-CH2 3.35Å; Y29-W333 HydrophobicContact CD1-CZ2 4.16Å; Y29-W333 AromaticContact CD1-CZ3 3.96Å; Y29-W333 HydrophobicContact CD1-CZ3 3.96Å; Y29-W333 AromaticContact CE1-CH2 3.34Å; Y29-W333 HydrophobicContact CE1-CH2 3.34Å; Y29-W333 AromaticContact CE1-CZ2 3.7Å; Y29-W333 HydrophobicContact CE1-CZ2 3.7Å; Y29-W333 HydrophobicContact CE1-CZ3 4.34Å
30	W	97.8	Very high	97.4	Very high	40 Å²	40	49 Å²	49	15%	0.152	27%	0.271	C	S	.	.	H	α-helix	trans	-61	-35.2	167.5	-84.1	111.4	0	0	0	112.9	W26 A27 G28 V32 H33 L34 H329 A332 W333 F336	W26-W30 AromaticContact CD1-NE1 3.84Å; W26-W30 AromaticContact CD2-CD1 3.84Å; W26-W30 AromaticContact CE2-CD1 3.41Å; W26-W30 VanDerWaalsContact CE2-CD1 3.41Å; W26-W30 AromaticContact CE2-NE1 3.16Å; W26-W30 AromaticContact CZ2-CD1 3.62Å; W26-W30 AromaticContact CZ2-NE1 3.33Å; W26-W30 VanDerWaalsContact CZ2-NE1 3.33Å; W26-W30 AromaticContact NE1-CD1 3.64Å; W26-W30 AromaticContact NE1-NE1 3.07Å; W26-W30 PolarHBondContact O-N 3.33Å; W26-W30 VanDerWaalsContact O-N 3.1Å; A27-W30 PolarHBondContact O-N 3.18Å; G28-W30 PolarHBondContact O-N 3.03Å; W30-V32 VanDerWaalsContact C-N 3.35Å; W30-H33 HydrophobicContact CE3-CB 4.33Å; W30-H33 AromaticContact CZ3-ND1 3.71Å; W30-H33 PolarHBondContact O-N 2.6Å; W30-L34 PolarHBondContact O-N 2.8Å; W30-H329 AromaticContact CE2-ND1 3.92Å; W30-H329 AromaticContact CZ2-ND1 3.65Å; W30-H329 AromaticContact NE1-ND1 3.62Å; W30-A332 HydrophobicContact CH2-CB 3.71Å; W30-A332 HydrophobicContact CZ2-CB 4.19Å; W30-W333 HydrophobicContact CH2-CB 4.02Å; W30-W333 HydrophobicContact CH2-CE3 4.14Å; W30-W333 HydrophobicContact CZ2-CB 4.42Å; W30-W333 AromaticContact CZ2-CE3 3.88Å; W30-W333 HydrophobicContact CZ2-CE3 3.88Å; W30-F336 HydrophobicContact CE3-CD1 4.36Å; W30-F336 HydrophobicContact CE3-CE1 4.37Å; W30-F336 AromaticContact CZ3-CD1 3.89Å; W30-F336 HydrophobicContact CZ3-CD1 3.89Å; W30-F336 HydrophobicContact CZ3-CD2 4.38Å; W30-F336 HydrophobicContact CZ3-CE1 4.16Å; W30-F336 HydrophobicContact CZ3-CG 4.03Å
31	S	96.6	Very high	97.4	Very high	67 Å²	67	54.5 Å²	54.5	47%	0.469	29%	0.291	S	S	.	.	H	α-helix	trans	-64.2	-40.9	172.8	-54	0	0	0	0	111.3	A27 G28 Y29 H33 L34 L35	A27-S31 PolarHBondContact O-N 3.04Å; A27-S31 PolarHBondContact O-OG 2.87Å; G28-S31 WeakPolarHBondContact O-CA 3.35Å; G28-S31 VanDerWaalsContact O-CB 3.23Å; G28-S31 WeakPolarHBondContact O-CB 3.41Å; G28-S31 PolarHBondContact O-N 3.45Å; G28-S31 VanDerWaalsContact O-N 3.08Å; Y29-S31 PolarHBondContact O-N 3.44Å; S31-H33 VanDerWaalsContact C-N 3.33Å; S31-H33 PolarHBondContact O-N 3.2Å; S31-L34 PolarHBondContact O-N 2.94Å; S31-L35 VanDerWaalsContact O-CB 3.3Å; S31-L35 WeakPolarHBondContact O-CB 3.29Å; S31-L35 WeakPolarHBondContact O-CG 3.37Å; S31-L35 PolarHBondContact O-N 3.26Å
32	V	96.7	Very high	97.4	Very high	34 Å²	34	51.5 Å²	51.5	21%	0.206	28%	0.283	C	S	.	.	H	α-helix	trans	-57.9	-46.6	173.2	169.9	0	0	0	0	111	G28 Y29 W30 L35 A36 R202 I203 I206	G28-V32 PolarHBondContact O-N 2.89Å; Y29-V32 HydrophobicContact CD2-CB 4.46Å; Y29-V32 HydrophobicContact CE2-CG1 4.39Å; Y29-V32 WeakPolarHBondContact O-CB 3.34Å; Y29-V32 PolarHBondContact O-N 3.26Å; Y29-V32 VanDerWaalsContact O-N 3.14Å; W30-V32 VanDerWaalsContact C-N 3.35Å; V32-L35 PolarHBondContact O-N 3.03Å; V32-A36 WeakPolarHBondContact O-CB 3.23Å; V32-A36 PolarHBondContact O-N 2.82Å; V32-R202 HydrophobicContact CG1-CG 4.06Å; V32-I203 HydrophobicContact CG1-CD1 4.39Å; V32-I206 HydrophobicContact CG1-CB 4.16Å; V32-I206 HydrophobicContact CG1-CG1 4.25Å; V32-I206 HydrophobicContact CG1-CG2 3.84Å
33	H	97.6	Very high	97.3	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.9	-47.8	-179.2	-160.1	171.4	0	0	0	112	Y29 W30 S31 A36 I37 R202 F336 D337	Y29-H33 PolarHBondContact O-N 3.37Å; W30-H33 HydrophobicContact CE3-CB 4.33Å; W30-H33 AromaticContact CZ3-ND1 3.71Å; W30-H33 PolarHBondContact O-N 2.6Å; S31-H33 VanDerWaalsContact C-N 3.33Å; S31-H33 PolarHBondContact O-N 3.2Å; H33-A36 PolarHBondContact O-N 2.85Å; H33-I37 PolarHBondContact O-N 2.76Å; H33-R202 PolarHBondContact CD2-NH1 3.29Å; H33-R202 VanDerWaalsContact CD2-NH1 3.25Å; H33-R202 PolarHBondContact CE1-NH1 2.96Å; H33-R202 PolarHBondContact ND1-NH1 3.48Å; H33-R202 VanDerWaalsContact ND1-NH1 3.14Å; H33-R202 PolarHBondContact NE2-NH1 3.17Å; H33-F336 WeakPolarHBondContact CE1-CB 3.49Å; H33-F336 VanDerWaalsContact NE2-CB 3.28Å; H33-F336 WeakPolarHBondContact NE2-CB 3.43Å; H33-D337 IonicContact CE1-OD1 3.9Å; H33-D337 IonicContact NE2-OD1 3.39Å; H33-D337 PolarHBondContact NE2-OD1 3.38Å
34	L	98.1	Very high	97.3	Very high	90 Å²	90	50.5 Å²	50.5	47%	0.471	28%	0.275	S	S	.	.	H	α-helix	trans	-62.5	-46.2	177.9	179.7	62.5	0	0	0	111.8	W30 S31 A36 I37 V38 F336	W30-L34 PolarHBondContact O-N 2.8Å; S31-L34 PolarHBondContact O-N 2.94Å; L34-A36 VanDerWaalsContact C-N 3.31Å; L34-A36 PolarHBondContact O-N 2.82Å; L34-I37 PolarHBondContact O-N 2.91Å; L34-V38 HydrophobicContact CD1-CG2 4.32Å; L34-V38 HydrophobicContact CG-CG2 4.48Å; L34-V38 WeakPolarHBondContact O-CG2 3.41Å; L34-V38 PolarHBondContact O-N 2.89Å; L34-F336 HydrophobicContact CD1-CE1 4.34Å
35	L	97.9	Very high	97.1	Very high	89 Å²	89	46.6 Å²	46.6	47%	0.466	25%	0.254	S	S	.	.	H	α-helix	trans	-63.7	-36.9	179.1	-72.6	173	0	0	0	111.9	S31 V32 V38 Y39 I206	S31-L35 VanDerWaalsContact O-CB 3.3Å; S31-L35 WeakPolarHBondContact O-CB 3.29Å; S31-L35 WeakPolarHBondContact O-CG 3.37Å; S31-L35 PolarHBondContact O-N 3.26Å; V32-L35 PolarHBondContact O-N 3.03Å; L35-V38 PolarHBondContact O-N 3.11Å; L35-Y39 WeakPolarHBondContact O-CB 3.4Å; L35-Y39 PolarHBondContact O-N 3.18Å; L35-I206 HydrophobicContact CB-CD1 3.63Å; L35-I206 HydrophobicContact CD1-CD1 3.77Å; L35-I206 HydrophobicContact CG-CD1 4.37Å
36	A	98.3	Very high	96.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-42.4	174.1	0	0	0	0	0	112	V32 H33 L34 G40 R202 L205	V32-A36 WeakPolarHBondContact O-CB 3.23Å; V32-A36 PolarHBondContact O-N 2.82Å; H33-A36 PolarHBondContact O-N 2.85Å; L34-A36 VanDerWaalsContact C-N 3.31Å; L34-A36 PolarHBondContact O-N 2.82Å; A36-G40 WeakPolarHBondContact O-CA 3.19Å; A36-G40 PolarHBondContact O-N 3.2Å; A36-R202 HydrophobicContact CB-CB 4.36Å; A36-R202 HydrophobicContact CB-CG 4.19Å; A36-R202 WeakPolarHBondContact CB-O 3.33Å; A36-L205 HydrophobicContact CB-CB 4.18Å
37	I	98.2	Very high	95.9	Very high	19 Å²	19	58.8 Å²	58.8	10%	0.097	30%	0.301	C	S	.	.	H	α-helix	trans	-64	-49.4	175.7	-71	171.9	0	0	0	111	H33 L34 G40 K41 F336 I339 L340 I343	H33-I37 PolarHBondContact O-N 2.76Å; L34-I37 PolarHBondContact O-N 2.91Å; I37-G40 PolarHBondContact O-N 2.93Å; I37-K41 WeakPolarHBondContact O-CB 3.35Å; I37-K41 PolarHBondContact O-N 3.43Å; I37-F336 HydrophobicContact CD1-CB 3.83Å; I37-F336 HydrophobicContact CD1-CD1 3.52Å; I37-F336 HydrophobicContact CD1-CE1 4.32Å; I37-F336 HydrophobicContact CD1-CG 3.87Å; I37-I339 HydrophobicContact CD1-CG2 4.35Å; I37-I339 HydrophobicContact CG2-CG2 3.99Å; I37-L340 HydrophobicContact CG1-CB 4.06Å; I37-L340 HydrophobicContact CG1-CD1 4.21Å; I37-I343 HydrophobicContact CG2-CD1 3.8Å
38	V	98.2	Very high	95.1	Very high	83 Å²	83	62.7 Å²	62.7	50%	0.503	31%	0.308	S	S	.	.	H	α-helix	trans	-61.3	-48.5	-179.5	171.9	0	0	0	0	110.6	L34 L35 K41 A42	L34-V38 HydrophobicContact CD1-CG2 4.32Å; L34-V38 HydrophobicContact CG-CG2 4.48Å; L34-V38 WeakPolarHBondContact O-CG2 3.41Å; L34-V38 PolarHBondContact O-N 2.89Å; L35-V38 PolarHBondContact O-N 3.11Å; V38-K41 PolarHBondContact O-N 3.03Å; V38-A42 VanDerWaalsContact O-CB 3.26Å; V38-A42 WeakPolarHBondContact O-CB 3.42Å; V38-A42 PolarHBondContact O-N 2.81Å
39	Y	97.9	Very high	94.1	Very high	57 Å²	57	67.4 Å²	67.4	22%	0.224	33%	0.329	C	S	.	.	H	α-helix	trans	-65.9	-44.9	179.2	-173.8	-101.7	0	0	0	111.7	L35 K41 A42 K43 L205 H208 A209 L259	L35-Y39 WeakPolarHBondContact O-CB 3.4Å; L35-Y39 PolarHBondContact O-N 3.18Å; Y39-K41 PolarHBondContact O-N 2.93Å; Y39-A42 CarbonylContact O-C 3.59Å; Y39-A42 PolarHBondContact O-N 3.18Å; Y39-A42 VanDerWaalsContact O-N 3.17Å; Y39-K43 HydrophobicContact CD1-CB 4.34Å; Y39-K43 HydrophobicContact CE1-CB 4.1Å; Y39-K43 HydrophobicContact CE1-CG 4.05Å; Y39-K43 WeakPolarHBondContact O-CB 3.4Å; Y39-K43 PolarHBondContact O-N 3.46Å; Y39-L205 HydrophobicContact CD1-CB 4.18Å; Y39-L205 HydrophobicContact CD1-CD2 3.94Å; Y39-L205 WeakPolarHBondContact CD1-O 3.29Å; Y39-L205 HydrophobicContact CE1-CD2 4.32Å; Y39-H208 HydrophobicContact CE1-CB 4.16Å; Y39-A209 HydrophobicContact CD1-CB 4.12Å; Y39-A209 HydrophobicContact CD2-CB 3.6Å; Y39-A209 HydrophobicContact CE1-CB 4.43Å; Y39-A209 HydrophobicContact CE2-CB 3.94Å; Y39-A209 HydrophobicContact CG-CB 3.7Å; Y39-L259 HydrophobicContact CE1-CD2 3.96Å
40	G	97.9	Very high	93.3	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-55.2	-50.6	175.7	0	0	0	0	0	111.7	A36 I37 A42 K43 L44	A36-G40 WeakPolarHBondContact O-CA 3.19Å; A36-G40 PolarHBondContact O-N 3.2Å; I37-G40 PolarHBondContact O-N 2.93Å; G40-A42 VanDerWaalsContact C-N 3.32Å; G40-A42 PolarHBondContact O-N 2.98Å; G40-K43 PolarHBondContact O-N 2.94Å; G40-L44 VanDerWaalsContact O-CB 3.32Å; G40-L44 WeakPolarHBondContact O-CB 3.5Å; G40-L44 WeakPolarHBondContact O-CG 3.37Å; G40-L44 PolarHBondContact O-N 3.48Å
41	K	96.7	Very high	92.5	Very high	163 Å²	163	69.6 Å²	69.6	71%	0.709	34%	0.344	S	S	*	.	H	α-helix	trans	-62.6	-37.9	177	-174.5	172.5	-178.2	175.3	0	112.6	I37 V38 Y39 I343	I37-K41 WeakPolarHBondContact O-CB 3.35Å; I37-K41 PolarHBondContact O-N 3.43Å; V38-K41 PolarHBondContact O-N 3.03Å; Y39-K41 PolarHBondContact O-N 2.93Å; K41-I343 HydrophobicContact CB-CD1 4.1Å; K41-I343 HydrophobicContact CB-CG2 4.46Å
42	A	96.2	Very high	91.9	Very high	52 Å²	52	69.3 Å²	69.3	43%	0.43	34%	0.335	S	S	.	.	H	α-helix	trans	-77.1	-21.8	-179.9	0	0	0	0	0	113.4	V38 Y39 G40 K46	V38-A42 VanDerWaalsContact O-CB 3.26Å; V38-A42 WeakPolarHBondContact O-CB 3.42Å; V38-A42 PolarHBondContact O-N 2.81Å; Y39-A42 CarbonylContact O-C 3.59Å; Y39-A42 PolarHBondContact O-N 3.18Å; Y39-A42 VanDerWaalsContact O-N 3.17Å; G40-A42 VanDerWaalsContact C-N 3.32Å; G40-A42 PolarHBondContact O-N 2.98Å; A42-K46 WeakPolarHBondContact O-CD 3.4Å; A42-K46 WeakPolarHBondContact O-CE 3.4Å; A42-K46 PolarHBondContact O-NZ 3.49Å
43	K	95.9	Very high	91.2	Very high	46 Å²	46	76.6 Å²	76.6	20%	0.2	37%	0.366	C	S	.	.	H	α-helix	trans	-109.7	-43.2	-169.8	-176.9	62	-179	-178.1	0	113.6	Y39 G40 L259 S261	Y39-K43 HydrophobicContact CD1-CB 4.34Å; Y39-K43 HydrophobicContact CE1-CB 4.1Å; Y39-K43 HydrophobicContact CE1-CG 4.05Å; Y39-K43 WeakPolarHBondContact O-CB 3.4Å; Y39-K43 PolarHBondContact O-N 3.46Å; G40-K43 PolarHBondContact O-N 2.94Å; K43-L259 WeakPolarHBondContact CE-O 3.32Å; K43-L259 HydrophobicContact CG-CD2 4.25Å; K43-L259 PolarHBondContact NZ-O 3.14Å; K43-S261 WeakPolarHBondContact O-CB 3.44Å
44	L	96.6	Very high	90.4	Very high	9 Å²	9	83.7 Å²	83.7	5%	0.047	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	153	-172.1	-60.4	177	0	0	0	111.9	G40 K46 L178 L205 S261 I343 I344	G40-L44 VanDerWaalsContact O-CB 3.32Å; G40-L44 WeakPolarHBondContact O-CB 3.5Å; G40-L44 WeakPolarHBondContact O-CG 3.37Å; G40-L44 PolarHBondContact O-N 3.48Å; L44-K46 PolarHBondContact O-N 3.4Å; L44-L178 HydrophobicContact CD1-CD2 3.78Å; L44-L178 HydrophobicContact CD2-CB 4.49Å; L44-L178 HydrophobicContact CD2-CD2 4.33Å; L44-L205 HydrophobicContact CD1-CD2 4.4Å; L44-S261 CarbonylContact C-O 3.55Å; L44-S261 VanDerWaalsContact CA-O 3.3Å; L44-S261 WeakPolarHBondContact CA-O 3.17Å; L44-I343 HydrophobicContact CD1-CG2 4.42Å; L44-I344 HydrophobicContact CD1-CG1 3.86Å
45	H	93.6	Very high	89.6	Confident	30 Å²	30	83.5 Å²	83.5	14%	0.139	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	20.9	173.4	-45.8	-63.5	0	0	0	115.7	R47 S261 I343 I344 D346	H45-R47 PolarHBondContact O-N 3.29Å; H45-S261 PolarHBondContact N-O 3.45Å; H45-I343 PolarHBondContact CD2-O 3.1Å; H45-I343 PolarHBondContact NE2-O 3.48Å; H45-I344 PolarHBondContact CE1-O 3.37Å; H45-I344 PolarHBondContact NE2-O 2.89Å; H45-D346 HydrophobicContact CB-CB 4.36Å; H45-D346 WeakPolarHBondContact CB-OD2 3.41Å; H45-D346 IonicContact CD2-OD1 2.74Å; H45-D346 IonicContact CG-OD1 3.5Å; H45-D346 IonicContact CG-OD2 3.31Å; H45-D346 IonicContact ND1-OD2 2.69Å
46	K	89.8	Confident	89.2	Confident	123 Å²	123	84.4 Å²	84.4	54%	0.535	41%	0.41	S	S	.	.			trans	-65.1	107.8	172.7	-81.5	-173.7	157.3	168.8	0	109.9	A42 L44 R48	A42-K46 WeakPolarHBondContact O-CD 3.4Å; A42-K46 WeakPolarHBondContact O-CE 3.4Å; A42-K46 PolarHBondContact O-NZ 3.49Å; L44-K46 PolarHBondContact O-N 3.4Å; K46-R48 PolarHBondContact O-N 2.59Å
47	R	79.6	Confident	88.9	Confident	242 Å²	242	85.7 Å²	85.7	91%	0.913	42%	0.417	S	S	*	.			trans	-65.1	125.6	169.5	-66.3	-175.3	-176.3	-175.7	0.8	109	H45	H45-R47 PolarHBondContact O-N 3.29Å
48	R	79	Confident	88.8	Confident	119 Å²	119	87.3 Å²	87.3	45%	0.449	43%	0.428	S	S	.	.			trans	-108.9	139.9	167.9	-65.3	-171.9	-174.3	-150.6	7.8	108.3	K46 L50	K46-R48 PolarHBondContact O-N 2.59Å; R48-L50 PolarHBondContact O-N 2.99Å
49	V	76.7	Confident	88.8	Confident	138 Å²	138	83.8 Å²	83.8	84%	0.836	41%	0.409	S	S	*	.			trans	-70.5	120.9	165.3	-178.2	0	0	0	0	106.3
50	L	79.8	Confident	88.8	Confident	50 Å²	50	81.1 Å²	81.1	26%	0.262	40%	0.399	S	S	.	.			trans	-91.5	106.3	178.3	-60.1	174.3	0	0	0	107.4	R48 F52 Y159 A162 Y166	R48-L50 PolarHBondContact O-N 2.99Å; L50-F52 HydrophobicContact CB-CE1 4.23Å; L50-F52 HydrophobicContact CB-CE2 4.48Å; L50-F52 HydrophobicContact CB-CZ 4.05Å; L50-F52 HydrophobicContact CD1-CZ 4.17Å; L50-F52 HydrophobicContact CD2-CE1 4.34Å; L50-F52 HydrophobicContact CD2-CZ 4.48Å; L50-F52 HydrophobicContact CG-CZ 4.48Å; L50-Y159 HydrophobicContact CD1-CD1 3.03Å; L50-Y159 HydrophobicContact CD1-CE1 3.48Å; L50-Y159 VanDerWaalsContact CD1-CE1 3.48Å; L50-Y159 HydrophobicContact CD1-CG 3.8Å; L50-Y159 HydrophobicContact CG-CD1 4.49Å; L50-A162 HydrophobicContact CD1-CB 4.41Å; L50-A162 HydrophobicContact CD2-CB 3.99Å; L50-Y166 HydrophobicContact CD2-CD2 4.09Å; L50-Y166 HydrophobicContact CD2-CE2 3.36Å
51	D	81.7	Confident	88.9	Confident	50 Å²	50	81.1 Å²	81.1	27%	0.267	40%	0.399	S	S	.	.			trans	-119	94.7	171	-172.8	-22.6	0	0	0	107.8	E53 Q54 N55	D51-E53 VanDerWaalsContact C-N 3.3Å; D51-E53 PolarHBondContact OD1-N 3.37Å; D51-E53 VanDerWaalsContact OD1-N 3.08Å; D51-Q54 HydrophobicContact CB-CB 4.44Å; D51-Q54 PolarHBondContact OD1-N 3.35Å; D51-Q54 VanDerWaalsContact OD2-CG 3.28Å; D51-Q54 WeakPolarHBondContact OD2-CG 3.39Å; D51-Q54 PolarHBondContact OD2-NE2 2.72Å; D51-N55 WeakPolarHBondContact O-CB 3.27Å; D51-N55 PolarHBondContact O-N 3.02Å
52	F	83.7	Confident	89	Confident	62 Å²	62	73.3 Å²	73.3	27%	0.272	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-16.2	-179.6	-57	-48.7	0	0	0	112.7	L50 N55 P56 L57 P86 A162	L50-F52 HydrophobicContact CB-CE1 4.23Å; L50-F52 HydrophobicContact CB-CE2 4.48Å; L50-F52 HydrophobicContact CB-CZ 4.05Å; L50-F52 HydrophobicContact CD1-CZ 4.17Å; L50-F52 HydrophobicContact CD2-CE1 4.34Å; L50-F52 HydrophobicContact CD2-CZ 4.48Å; L50-F52 HydrophobicContact CG-CZ 4.48Å; F52-N55 CarbonylContact O-C 3.54Å; F52-P56 WeakPolarHBondContact O-CA 3.43Å; F52-L57 HydrophobicContact CD1-CD1 3.8Å; F52-L57 HydrophobicContact CD1-CG 4.13Å; F52-L57 HydrophobicContact CE1-CD1 3.5Å; F52-L57 VanDerWaalsContact CE1-CD1 3.5Å; F52-L57 HydrophobicContact CE1-CG 4.33Å; F52-P86 HydrophobicContact CD1-CG 4.45Å; F52-P86 HydrophobicContact CG-CG 4.34Å; F52-A162 HydrophobicContact CE1-CB 4.27Å; F52-A162 HydrophobicContact CZ-CB 4.26Å
53	E	81.3	Confident	89.1	Confident	186 Å²	186	70.9 Å²	70.9	87%	0.869	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-45	175	-64.9	-170.3	166.5	0	0	109.9	D51	D51-E53 VanDerWaalsContact C-N 3.3Å; D51-E53 PolarHBondContact OD1-N 3.37Å; D51-E53 VanDerWaalsContact OD1-N 3.08Å
54	Q	80.3	Confident	89.2	Confident	149 Å²	149	68.7 Å²	68.7	70%	0.696	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-30.7	177.2	-66	-176	20.8	0	0	113.1	D51	D51-Q54 HydrophobicContact CB-CB 4.44Å; D51-Q54 PolarHBondContact OD1-N 3.35Å; D51-Q54 VanDerWaalsContact OD2-CG 3.28Å; D51-Q54 WeakPolarHBondContact OD2-CG 3.39Å; D51-Q54 PolarHBondContact OD2-NE2 2.72Å
55	N	82.4	Confident	89.2	Confident	86 Å²	86	68.5 Å²	68.5	46%	0.46	33%	0.334	S	S	.	.	S	Bend	trans	-128.8	78.2	-177.3	-61.6	-83.9	0	0	0	110.2	D51 F52 L57 Y166	D51-N55 WeakPolarHBondContact O-CB 3.27Å; D51-N55 PolarHBondContact O-N 3.02Å; F52-N55 CarbonylContact O-C 3.54Å; N55-L57 PolarHBondContact O-N 2.93Å; N55-Y166 HydrophobicContact CB-CE1 4.5Å
56	P	88.8	Confident	89.3	Confident	108 Å²	108	67 Å²	67	70%	0.701	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-60.4	128.5	179	23.4	-32.4	0	0	0	110.2	F52	F52-P56 WeakPolarHBondContact O-CA 3.43Å
57	L	93.3	Very high	89.3	Confident	28 Å²	28	64.3 Å²	64.3	15%	0.147	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-97.7	143.6	178.7	-63.8	-178.8	0	0	0	110.7	F52 N55 Y85 P86 A162 Y166	F52-L57 HydrophobicContact CD1-CD1 3.8Å; F52-L57 HydrophobicContact CD1-CG 4.13Å; F52-L57 HydrophobicContact CE1-CD1 3.5Å; F52-L57 VanDerWaalsContact CE1-CD1 3.5Å; F52-L57 HydrophobicContact CE1-CG 4.33Å; N55-L57 PolarHBondContact O-N 2.93Å; L57-Y85 HydrophobicContact CB-CE2 4.07Å; L57-Y85 WeakPolarHBondContact CB-OH 3.36Å; L57-Y85 HydrophobicContact CD1-CD2 4.25Å; L57-Y85 HydrophobicContact CD1-CE2 3.57Å; L57-Y85 HydrophobicContact CG-CE2 4.47Å; L57-P86 HydrophobicContact CB-CG 4.44Å; L57-A162 HydrophobicContact CD1-CB 4.34Å; L57-Y166 HydrophobicContact CD1-CE2 4.03Å; L57-Y166 HydrophobicContact CD2-CD1 4.47Å; L57-Y166 HydrophobicContact CD2-CE1 4.1Å
58	P	96	Very high	89.8	Confident	52 Å²	52	53.8 Å²	53.8	34%	0.338	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-69.5	165.6	-179.4	31.2	-36.7	0	0	0	111.6	Y85 F146 M165	P58-Y85 WeakPolarHBondContact O-CE1 3.31Å; P58-Y85 PolarHBondContact O-OH 3.03Å; P58-F146 HydrophobicContact CB-CD2 3.83Å; P58-F146 HydrophobicContact CB-CE2 3.64Å; P58-F146 HydrophobicContact CG-CD2 3.57Å; P58-F146 HydrophobicContact CG-CE2 3.34Å; P58-F146 HydrophobicContact CG-CZ 4.21Å; P58-M165 HydrophobicContact CG-CE 3.33Å
59	G	97.4	Very high	90.2	Very high	10 Å²	10	51.9 Å²	51.9	10%	0.103	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-65.8	152.3	172.1	0	0	0	0	0	112.3	K87 Y144	G59-K87 VanDerWaalsContact CA-O 3.3Å; G59-K87 WeakPolarHBondContact CA-O 3.21Å; G59-Y144 VanDerWaalsContact C-CB 3.5Å; G59-Y144 VanDerWaalsContact C-CG 3.45Å; G59-Y144 WeakPolarHBondContact O-CB 3.24Å
60	V	98.7	Very high	90.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130.8	174.3	-176	0	0	0	0	111	Y85 K87 Y88 E89 Y144 F146 L148 L161 M165 L221	V60-Y85 HydrophobicContact CG2-CE1 3.98Å; V60-K87 PolarHBondContact N-O 3.13Å; V60-Y88 WeakPolarHBondContact O-CA 3.45Å; V60-Y88 VanDerWaalsContact O-CB 3.31Å; V60-Y88 WeakPolarHBondContact O-CB 3.34Å; V60-E89 PolarHBondContact O-N 3.09Å; V60-E89 VanDerWaalsContact O-N 3.11Å; V60-Y144 WeakPolarHBondContact O-CD2 3.29Å; V60-F146 WeakPolarHBondContact CA-O 3.49Å; V60-F146 HydrophobicContact CG1-CB 4.42Å; V60-F146 HydrophobicContact CG2-CB 4.11Å; V60-L148 HydrophobicContact CG1-CB 4.06Å; V60-L161 HydrophobicContact CB-CD1 4.28Å; V60-L161 HydrophobicContact CB-CD2 4.34Å; V60-L161 HydrophobicContact CG1-CD1 3.96Å; V60-L161 HydrophobicContact CG2-CD1 4.18Å; V60-M165 HydrophobicContact CG2-CG 3.9Å; V60-M165 HydrophobicContact CG2-SD 3.63Å; V60-L221 HydrophobicContact CG1-CD1 3.83Å
61	S	98.9	Very high	91.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	116.7	171.8	-58.3	0	0	0	0	109.5	E89 Q143 Y144 F146 I147 L148	S61-E89 WeakPolarHBondContact CB-OE1 3.45Å; S61-E89 PolarHBondContact OG-OE1 3.42Å; S61-Q143 PolarHBondContact OG-N 2.88Å; S61-Y144 WeakPolarHBondContact OG-CD2 3.46Å; S61-Y144 PolarHBondContact OG-N 3.31Å; S61-F146 PolarHBondContact N-O 3.48Å; S61-I147 CarbonylContact O-C 3.54Å; S61-I147 VanDerWaalsContact O-CA 3.27Å; S61-I147 WeakPolarHBondContact O-CA 3.37Å; S61-L148 PolarHBondContact O-N 3.26Å
62	I	98.7	Very high	91.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	111.7	-179.5	-52.1	-178.9	0	0	0	108.6	K64 F80 L83 Y88 E89 I90 L91 L148 L161	I62-K64 HydrophobicContact CG2-CD 4.48Å; I62-K64 HydrophobicContact CG2-CG 4.23Å; I62-F80 HydrophobicContact CD1-CD1 4.08Å; I62-F80 HydrophobicContact CG2-CD1 3.83Å; I62-F80 HydrophobicContact CG2-CE1 4.09Å; I62-L83 HydrophobicContact CD1-CD1 3.59Å; I62-Y88 HydrophobicContact CD1-CD2 3.63Å; I62-Y88 HydrophobicContact CD1-CE2 4.18Å; I62-Y88 HydrophobicContact CD1-CG 4.43Å; I62-Y88 HydrophobicContact CG1-CD2 4.4Å; I62-E89 WeakPolarHBondContact CB-O 3.34Å; I62-E89 WeakPolarHBondContact CG1-O 3.47Å; I62-E89 PolarHBondContact N-O 3.09Å; I62-I90 HydrophobicContact CD1-CG1 4.48Å; I62-L91 PolarHBondContact O-N 2.93Å; I62-L148 CarbonylContact C-O 3.59Å; I62-L148 WeakPolarHBondContact CA-O 3.24Å; I62-L148 HydrophobicContact CD1-CD2 4.44Å; I62-L148 HydrophobicContact CG1-CB 4.29Å; I62-L148 HydrophobicContact CG1-CD2 4.33Å; I62-L148 HydrophobicContact CG2-CB 4.43Å; I62-L148 HydrophobicContact CG2-CD2 4.17Å; I62-L148 HydrophobicContact CG2-CG 4.32Å; I62-L161 HydrophobicContact CD1-CD2 4.09Å
63	I	98.6	Very high	92.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	122.1	175.5	-60.5	179.8	0	0	0	109.5	P65 L91 M135 A138 I147 L148 S150 M233	I63-P65 WeakPolarHBondContact O-CD 3.41Å; I63-L91 HydrophobicContact CG1-CB 4.49Å; I63-L91 HydrophobicContact CG1-CD1 4.33Å; I63-M135 HydrophobicContact CG2-CB 4.02Å; I63-M135 HydrophobicContact CG2-CG 3.77Å; I63-M135 HydrophobicContact CG2-SD 4.11Å; I63-A138 HydrophobicContact CD1-CB 4.25Å; I63-A138 HydrophobicContact CG1-CB 4.13Å; I63-A138 HydrophobicContact CG2-CB 4.12Å; I63-I147 HydrophobicContact CD1-CD1 4.43Å; I63-I147 HydrophobicContact CD1-CG2 3.55Å; I63-I147 HydrophobicContact CG1-CG2 3.87Å; I63-L148 PolarHBondContact N-O 3.3Å; I63-S150 PolarHBondContact O-N 3.25Å; I63-M233 HydrophobicContact CD1-CE 4.45Å
64	K	97.7	Very high	93.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	90.4	-179.6	-76.9	-55.2	-154.8	168.1	0	111.1	I62 L66 F80 I90 L91 F92 C93 S150 D151	I62-K64 HydrophobicContact CG2-CD 4.48Å; I62-K64 HydrophobicContact CG2-CG 4.23Å; K64-L66 HydrophobicContact CB-CD2 4.41Å; K64-L66 PolarHBondContact O-N 3.2Å; K64-F80 VanDerWaalsContact CE-CD2 3.48Å; K64-I90 HydrophobicContact CG-CG2 3.99Å; K64-L91 PolarHBondContact N-O 3.5Å; K64-F92 HydrophobicContact CB-CD1 3.72Å; K64-F92 HydrophobicContact CB-CE1 4.12Å; K64-F92 HydrophobicContact CG-CD1 4.34Å; K64-F92 HydrophobicContact CG-CE1 4.24Å; K64-C93 PolarHBondContact O-N 3Å; K64-S150 WeakPolarHBondContact CD-O 3.33Å; K64-S150 VanDerWaalsContact NZ-CB 3.3Å; K64-S150 PolarHBondContact NZ-O 3.01Å; K64-S150 PolarHBondContact NZ-OG 2.82Å; K64-D151 PolarHBondContact NZ-O 2.89Å
65	P	96.5	Very high	94	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.032	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	125.9	170.5	30.1	-33.2	0	0	0	110.5	I63 K131 M135	I63-P65 WeakPolarHBondContact O-CD 3.41Å; P65-K131 HydrophobicContact CB-CG 4.38Å; P65-K131 HydrophobicContact CG-CG 4.33Å; P65-M135 HydrophobicContact CB-CG 3.8Å; P65-M135 HydrophobicContact CB-SD 4.19Å; P65-M135 HydrophobicContact CG-CG 4.05Å; P65-M135 HydrophobicContact CG-SD 3.76Å
66	L	95.9	Very high	94.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	149	-179.9	-48.6	179.6	0	0	0	110.5	K64 L73 L77 F92 C93 V94 A101 V105	K64-L66 HydrophobicContact CB-CD2 4.41Å; K64-L66 PolarHBondContact O-N 3.2Å; L66-L73 HydrophobicContact CD2-CD1 4.39Å; L66-L77 HydrophobicContact CD1-CD1 4.16Å; L66-L77 HydrophobicContact CD2-CD1 4.25Å; L66-L77 HydrophobicContact CD2-CD2 3.97Å; L66-F92 HydrophobicContact CD1-CB 4.41Å; L66-F92 HydrophobicContact CD1-CD1 3.95Å; L66-C93 PolarHBondContact N-O 3.48Å; L66-V94 HydrophobicContact CB-CG2 4.28Å; L66-V94 HydrophobicContact CD1-CG2 4.31Å; L66-A101 HydrophobicContact CB-CB 4.08Å; L66-A101 HydrophobicContact CD1-CB 4.13Å; L66-V105 HydrophobicContact CD1-CG2 3.27Å
67	V	91.2	Very high	95.1	Very high	65 Å²	65	28.2 Å²	28.2	39%	0.394	18%	0.176	S	C	.	.			trans	-151.1	122.3	165	165.2	0	0	0	0	108.5	D99 R383	V67-D99 WeakPolarHBondContact CA-OD2 3.24Å; V67-R383 VanDerWaalsContact CG2-NH2 3.27Å
68	G	90	Very high	95.3	Very high	22 Å²	22	27.8 Å²	27.8	23%	0.227	18%	0.177	C	C	.	.	S	Bend	trans	61.2	-174.2	179.4	0	0	0	0	0	114.1	D99	G68-D99 WeakPolarHBondContact CA-OD1 3.3Å; G68-D99 VanDerWaalsContact N-CG 3.34Å; G68-D99 PolarHBondContact N-OD1 3.03Å; G68-D99 PolarHBondContact N-OD2 3.08Å
69	V	86.6	Confident	95.4	Very high	78 Å²	78	26 Å²	26	47%	0.473	17%	0.165	S	C	.	.			trans	-116.8	125.8	179	176.3	0	0	0	0	109.8	L73 S100 V104	V69-L73 HydrophobicContact CB-CD2 4.39Å; V69-L73 HydrophobicContact CG1-CB 4.49Å; V69-L73 HydrophobicContact CG1-CD2 4.46Å; V69-L73 HydrophobicContact CG2-CD2 4Å; V69-S100 WeakPolarHBondContact CG2-O 3.17Å; V69-S100 WeakPolarHBondContact CG2-OG 3.45Å; V69-S100 PolarHBondContact N-OG 3.19Å; V69-V104 HydrophobicContact CG2-CG2 4.26Å
70	D	88.2	Confident	95.5	Very high	30 Å²	30	25.6 Å²	25.6	16%	0.16	16%	0.16	C	C	.	.			trans	-99	160.6	160.7	85.2	90.9	0	0	0	110.3	N72 L73 G269	D70-N72 PolarHBondContact O-N 3.16Å; D70-N72 WeakPolarHBondContact OD1-CA 3.42Å; D70-N72 WeakPolarHBondContact OD1-CB 2.8Å; D70-N72 PolarHBondContact OD1-N 3.34Å; D70-L73 WeakPolarHBondContact O-CB 3.45Å; D70-L73 PolarHBondContact O-N 3.37Å; D70-L73 PolarHBondContact OD1-N 3.18Å; D70-L73 WeakPolarHBondContact OD2-CB 3.31Å; D70-L73 PolarHBondContact OD2-N 3.47Å; D70-G269 PolarHBondContact OD1-N 3.01Å
71	L	90.9	Very high	95.5	Very high	158 Å²	158	25.9 Å²	25.9	83%	0.827	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-29.6	-177.3	-69.7	170.2	0	0	0	113.8
72	N	94.8	Very high	95.4	Very high	45 Å²	45	30.9 Å²	30.9	24%	0.241	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-0.3	-175.9	-67.5	-31.4	0	0	0	113.6	D70 A74 S75 N76 N267	D70-N72 PolarHBondContact O-N 3.16Å; D70-N72 WeakPolarHBondContact OD1-CA 3.42Å; D70-N72 WeakPolarHBondContact OD1-CB 2.8Å; D70-N72 PolarHBondContact OD1-N 3.34Å; N72-A74 PolarHBondContact O-N 3.46Å; N72-S75 PolarHBondContact O-N 3.24Å; N72-S75 PolarHBondContact O-OG 2.84Å; N72-N76 WeakPolarHBondContact O-CB 3.39Å; N72-N76 VanDerWaalsContact O-CG 3.27Å; N72-N76 PolarHBondContact O-N 3.23Å; N72-N76 PolarHBondContact O-ND2 2.91Å; N72-N267 WeakPolarHBondContact CB-O 3.41Å; N72-N267 PolarHBondContact ND2-O 3.48Å; N72-N267 PolarHBondContact ND2-OD1 3.22Å
73	L	95.7	Very high	95.3	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-50.8	-52.7	-173.2	179.9	66.4	0	0	0	112	L66 V69 D70 S75 N76 L77 A101 V104	L66-L73 HydrophobicContact CD2-CD1 4.39Å; V69-L73 HydrophobicContact CB-CD2 4.39Å; V69-L73 HydrophobicContact CG1-CB 4.49Å; V69-L73 HydrophobicContact CG1-CD2 4.46Å; V69-L73 HydrophobicContact CG2-CD2 4Å; D70-L73 WeakPolarHBondContact O-CB 3.45Å; D70-L73 PolarHBondContact O-N 3.37Å; D70-L73 PolarHBondContact OD1-N 3.18Å; D70-L73 WeakPolarHBondContact OD2-CB 3.31Å; D70-L73 PolarHBondContact OD2-N 3.47Å; L73-S75 VanDerWaalsContact C-N 3.33Å; L73-S75 PolarHBondContact O-N 3.13Å; L73-N76 PolarHBondContact O-N 2.88Å; L73-L77 HydrophobicContact CD1-CD1 3.91Å; L73-L77 HydrophobicContact CD1-CD2 4.34Å; L73-L77 HydrophobicContact CD1-CG 3.92Å; L73-L77 HydrophobicContact CG-CD1 4.02Å; L73-L77 HydrophobicContact CG-CG 4.28Å; L73-L77 WeakPolarHBondContact O-CG 3.42Å; L73-L77 PolarHBondContact O-N 3.3Å; L73-A101 HydrophobicContact CD2-CB 3.95Å; L73-V104 HydrophobicContact CD2-CB 4.45Å; L73-V104 HydrophobicContact CD2-CG1 4.42Å; L73-V104 HydrophobicContact CG-CG1 4.47Å
74	A	96.7	Very high	95.1	Very high	49 Å²	49	36.5 Å²	36.5	41%	0.405	21%	0.209	S	C	.	.	H	α-helix	trans	-59	-44.3	-179	0	0	0	0	0	112	N72 N76 A78 V104	N72-A74 PolarHBondContact O-N 3.46Å; A74-N76 VanDerWaalsContact C-N 3.32Å; A74-N76 PolarHBondContact O-N 2.77Å; A74-A78 VanDerWaalsContact O-CB 3.23Å; A74-A78 WeakPolarHBondContact O-CB 3.45Å; A74-A78 PolarHBondContact O-N 3.4Å; A74-V104 HydrophobicContact CB-CG1 3.65Å
75	S	96.7	Very high	95	Very high	47 Å²	47	37.1 Å²	37.1	33%	0.329	21%	0.212	S	C	.	.	H	α-helix	trans	-67.7	-32.5	179.6	78.6	0	0	0	0	112.8	N72 L73 T79	N72-S75 PolarHBondContact O-N 3.24Å; N72-S75 PolarHBondContact O-OG 2.84Å; L73-S75 VanDerWaalsContact C-N 3.33Å; L73-S75 PolarHBondContact O-N 3.13Å; S75-T79 WeakPolarHBondContact O-CG2 3.26Å
76	N	97.3	Very high	94.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-72.6	-52.2	177.7	-71.3	-16.1	0	0	0	110.1	N72 L73 A74 A78 T79 S152 L154 N267	N72-N76 WeakPolarHBondContact O-CB 3.39Å; N72-N76 VanDerWaalsContact O-CG 3.27Å; N72-N76 PolarHBondContact O-N 3.23Å; N72-N76 PolarHBondContact O-ND2 2.91Å; L73-N76 PolarHBondContact O-N 2.88Å; A74-N76 VanDerWaalsContact C-N 3.32Å; A74-N76 PolarHBondContact O-N 2.77Å; N76-A78 VanDerWaalsContact C-N 3.32Å; N76-A78 PolarHBondContact O-N 2.89Å; N76-T79 WeakPolarHBondContact O-CB 3.07Å; N76-T79 PolarHBondContact O-N 2.76Å; N76-T79 VanDerWaalsContact O-N 3.12Å; N76-T79 PolarHBondContact O-OG1 2.85Å; N76-S152 WeakPolarHBondContact CB-O 3.36Å; N76-L154 WeakPolarHBondContact CB-O 3.33Å; N76-N267 PolarHBondContact ND2-O 2.84Å; N76-N267 VanDerWaalsContact ND2-O 3.15Å; N76-N267 WeakPolarHBondContact OD1-CB 3.23Å; N76-N267 PolarHBondContact OD1-ND2 3.44Å
77	L	97.8	Very high	94.8	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-39.8	178.7	-64.7	-172.7	0	0	0	112	L66 L73 T79 F80 F81 F92 V105 L108	L66-L77 HydrophobicContact CD1-CD1 4.16Å; L66-L77 HydrophobicContact CD2-CD1 4.25Å; L66-L77 HydrophobicContact CD2-CD2 3.97Å; L73-L77 HydrophobicContact CD1-CD1 3.91Å; L73-L77 HydrophobicContact CD1-CD2 4.34Å; L73-L77 HydrophobicContact CD1-CG 3.92Å; L73-L77 HydrophobicContact CG-CD1 4.02Å; L73-L77 HydrophobicContact CG-CG 4.28Å; L73-L77 WeakPolarHBondContact O-CG 3.42Å; L73-L77 PolarHBondContact O-N 3.3Å; L77-T79 PolarHBondContact O-N 3.34Å; L77-T79 VanDerWaalsContact O-N 3.09Å; L77-F80 WeakPolarHBondContact O-CB 2.89Å; L77-F80 PolarHBondContact O-N 3.3Å; L77-F81 WeakPolarHBondContact O-CD2 3.37Å; L77-F92 HydrophobicContact CD1-CE1 4.17Å; L77-F92 HydrophobicContact CD2-CE1 4.19Å; L77-V105 HydrophobicContact CD1-CG2 4.04Å; L77-L108 HydrophobicContact CB-CD1 3.5Å; L77-L108 VanDerWaalsContact CB-CD1 3.5Å; L77-L108 HydrophobicContact CD1-CD1 4.33Å
78	A	98	Very high	95.2	Very high	20 Å²	20	43.8 Å²	43.8	17%	0.165	24%	0.242	C	C	.	.	H	α-helix	trans	-54.5	-30	176.3	0	0	0	0	0	113.2	A74 N76 F80 F81 H82 L108	A74-A78 VanDerWaalsContact O-CB 3.23Å; A74-A78 WeakPolarHBondContact O-CB 3.45Å; A74-A78 PolarHBondContact O-N 3.4Å; N76-A78 VanDerWaalsContact C-N 3.32Å; N76-A78 PolarHBondContact O-N 2.89Å; A78-F80 PolarHBondContact O-N 3.4Å; A78-F81 PolarHBondContact O-N 3.02Å; A78-H82 PolarHBondContact O-ND1 2.82Å; A78-H82 VanDerWaalsContact O-ND1 3.15Å; A78-L108 HydrophobicContact CB-CD2 3.97Å
79	T	98.2	Very high	95.6	Very high	14 Å²	14	43 Å²	43	9%	0.086	23%	0.232	C	C	.	.	H	α-helix	trans	-65.1	-26.9	178.1	64.3	0	0	0	0	113.9	S75 N76 L77 F81 H82 R155 M156	S75-T79 WeakPolarHBondContact O-CG2 3.26Å; N76-T79 WeakPolarHBondContact O-CB 3.07Å; N76-T79 PolarHBondContact O-N 2.76Å; N76-T79 VanDerWaalsContact O-N 3.12Å; N76-T79 PolarHBondContact O-OG1 2.85Å; L77-T79 PolarHBondContact O-N 3.34Å; L77-T79 VanDerWaalsContact O-N 3.09Å; T79-F81 VanDerWaalsContact C-N 3.33Å; T79-H82 PolarHBondContact O-N 3.08Å; T79-R155 HydrophobicContact CG2-CG 3.62Å; T79-M156 WeakPolarHBondContact CB-O 3.1Å; T79-M156 PolarHBondContact OG1-N 3.05Å
80	F	98.2	Very high	96.2	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-74.6	-24.9	178.3	-70.1	-95.5	0	0	0	112.3	I62 K64 L77 A78 H82 L83 Y88 I90 L148 S150 M156	I62-F80 HydrophobicContact CD1-CD1 4.08Å; I62-F80 HydrophobicContact CG2-CD1 3.83Å; I62-F80 HydrophobicContact CG2-CE1 4.09Å; K64-F80 VanDerWaalsContact CE-CD2 3.48Å; L77-F80 WeakPolarHBondContact O-CB 2.89Å; L77-F80 PolarHBondContact O-N 3.3Å; A78-F80 PolarHBondContact O-N 3.4Å; F80-H82 VanDerWaalsContact C-N 3.27Å; F80-L83 HydrophobicContact CD1-CD1 4.19Å; F80-L83 WeakPolarHBondContact O-CG 3.42Å; F80-Y88 VanDerWaalsContact O-CE2 3.23Å; F80-Y88 WeakPolarHBondContact O-CE2 3.26Å; F80-Y88 PolarHBondContact O-OH 2.88Å; F80-I90 HydrophobicContact CB-CD1 3.83Å; F80-L148 HydrophobicContact CE1-CD2 4.36Å; F80-S150 WeakPolarHBondContact CZ-OG 3.28Å; F80-M156 HydrophobicContact CD1-CB 4.47Å; F80-M156 HydrophobicContact CD2-CB 4.3Å; F80-M156 HydrophobicContact CE1-CB 3.96Å; F80-M156 HydrophobicContact CE1-CG 3.99Å; F80-M156 HydrophobicContact CE1-SD 4.26Å; F80-M156 HydrophobicContact CE2-CB 3.73Å; F80-M156 HydrophobicContact CZ-CB 3.53Å; F80-M156 HydrophobicContact CZ-CG 3.99Å; F80-M156 HydrophobicContact CZ-SD 4.19Å
81	F	98.2	Very high	96.7	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-77.7	-13.9	173.7	-66.9	-90.5	0	0	0	113.1	L77 A78 T79 Y88 I90 F92 L108 V109 H112 V115 T117	L77-F81 WeakPolarHBondContact O-CD2 3.37Å; A78-F81 PolarHBondContact O-N 3.02Å; T79-F81 VanDerWaalsContact C-N 3.33Å; F81-Y88 PolarHBondContact O-OH 3.34Å; F81-I90 HydrophobicContact CD1-CD1 4.04Å; F81-I90 HydrophobicContact CD2-CD1 4.17Å; F81-I90 HydrophobicContact CE1-CD1 4.07Å; F81-I90 HydrophobicContact CE2-CD1 4.18Å; F81-I90 HydrophobicContact CG-CD1 4.12Å; F81-I90 HydrophobicContact CZ-CD1 4.14Å; F81-F92 HydrophobicContact CE2-CE2 4.47Å; F81-F92 AromaticContact CE2-CZ 3.78Å; F81-F92 HydrophobicContact CE2-CZ 3.78Å; F81-F92 AromaticContact CZ-CE2 3.9Å; F81-F92 HydrophobicContact CZ-CE2 3.9Å; F81-F92 AromaticContact CZ-CZ 3.66Å; F81-F92 HydrophobicContact CZ-CZ 3.66Å; F81-L108 HydrophobicContact CD2-CB 4.41Å; F81-L108 HydrophobicContact CE2-CB 3.7Å; F81-L108 HydrophobicContact CE2-CD1 4.19Å; F81-L108 HydrophobicContact CE2-CG 4.45Å; F81-L108 HydrophobicContact CZ-CB 3.88Å; F81-V109 HydrophobicContact CZ-CG2 4.33Å; F81-H112 HydrophobicContact CB-CB 4.15Å; F81-H112 HydrophobicContact CD1-CB 3.42Å; F81-H112 VanDerWaalsContact CD1-CB 3.42Å; F81-H112 AromaticContact CD1-CG 3.78Å; F81-H112 AromaticContact CD1-ND1 3.88Å; F81-H112 HydrophobicContact CE1-CB 4.08Å; F81-H112 HydrophobicContact CG-CB 4.07Å; F81-H112 AromaticContact CG-CG 3.91Å; F81-H112 AromaticContact CG-ND1 3.8Å; F81-V115 HydrophobicContact CB-CG2 4.47Å; F81-V115 HydrophobicContact CD1-CB 3.9Å; F81-V115 HydrophobicContact CD1-CG1 4.13Å; F81-V115 HydrophobicContact CD1-CG2 4.09Å; F81-V115 HydrophobicContact CE1-CB 4.45Å; F81-T117 HydrophobicContact CE1-CG2 3.66Å; F81-T117 HydrophobicContact CZ-CG2 4.14Å
82	H	97.2	Very high	97	Very high	106 Å²	106	30.4 Å²	30.4	49%	0.491	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	15.1	-177.8	-61.1	136.1	0	0	0	113.5	A78 T79 F80 K84 H112	A78-H82 PolarHBondContact O-ND1 2.82Å; A78-H82 VanDerWaalsContact O-ND1 3.15Å; T79-H82 PolarHBondContact O-N 3.08Å; F80-H82 VanDerWaalsContact C-N 3.27Å; H82-K84 PolarHBondContact O-N 3.07Å; H82-H112 AromaticContact CE1-NE2 3.84Å; H82-H112 AromaticContact NE2-CD2 3.88Å; H82-H112 AromaticContact NE2-NE2 3.36Å; H82-H112 PolarHBondContact NE2-NE2 3.45Å
83	L	96.8	Very high	97.2	Very high	11 Å²	11	28.2 Å²	28.2	6%	0.058	15%	0.152	C	C	.	.			trans	-63.9	133.6	178.7	-64	174	0	0	0	110.4	I62 F80 Y85 Y88 M156 L161	I62-L83 HydrophobicContact CD1-CD1 3.59Å; F80-L83 HydrophobicContact CD1-CD1 4.19Å; F80-L83 WeakPolarHBondContact O-CG 3.42Å; L83-Y85 PolarHBondContact O-N 3.44Å; L83-Y88 HydrophobicContact CB-CE1 4.2Å; L83-Y88 HydrophobicContact CD1-CE2 4.19Å; L83-M156 HydrophobicContact CD2-CB 4.2Å; L83-M156 HydrophobicContact CD2-CG 3.64Å; L83-L161 HydrophobicContact CD1-CB 4.21Å; L83-L161 HydrophobicContact CD1-CD2 3.98Å
84	K	94.6	Very high	97.2	Very high	106 Å²	106	28.1 Å²	28.1	46%	0.461	15%	0.151	S	C	.	.			trans	-85.1	69.2	172.8	-60.9	-65.2	179.8	-177.2	0	108.5	H82 E158 Y159	H82-K84 PolarHBondContact O-N 3.07Å; K84-E158 HydrophobicContact CG-CB 4.07Å; K84-E158 HydrophobicContact CG-CG 4.4Å; K84-E158 PolarHBondContact N-O 2.58Å; K84-Y159 HydrophobicContact CB-CD1 3.47Å; K84-Y159 VanDerWaalsContact CB-CD1 3.47Å; K84-Y159 HydrophobicContact CB-CE1 3.32Å; K84-Y159 HydrophobicContact CG-CD1 4.07Å; K84-Y159 HydrophobicContact CG-CE1 3.58Å
85	Y	95.7	Very high	97	Very high	14 Å²	14	31.5 Å²	31.5	6%	0.055	16%	0.158	C	C	.	.			trans	-137.7	136.1	-179.4	-165.5	-91.9	0	0	0	110.1	L57 P58 V60 L83 K87 Y88 L161 A162 M165	L57-Y85 HydrophobicContact CB-CE2 4.07Å; L57-Y85 WeakPolarHBondContact CB-OH 3.36Å; L57-Y85 HydrophobicContact CD1-CD2 4.25Å; L57-Y85 HydrophobicContact CD1-CE2 3.57Å; L57-Y85 HydrophobicContact CG-CE2 4.47Å; P58-Y85 WeakPolarHBondContact O-CE1 3.31Å; P58-Y85 PolarHBondContact O-OH 3.03Å; V60-Y85 HydrophobicContact CG2-CE1 3.98Å; L83-Y85 PolarHBondContact O-N 3.44Å; Y85-K87 WeakPolarHBondContact CD1-O 3.37Å; Y85-K87 WeakPolarHBondContact CE1-O 3.09Å; Y85-Y88 HydrophobicContact CD1-CD1 4.18Å; Y85-L161 HydrophobicContact CD1-CD2 3.83Å; Y85-L161 HydrophobicContact CD1-CG 4.41Å; Y85-L161 HydrophobicContact CD2-CB 4.22Å; Y85-L161 HydrophobicContact CD2-CD2 4Å; Y85-L161 HydrophobicContact CD2-CG 3.74Å; Y85-L161 HydrophobicContact CE1-CD2 4.37Å; Y85-L161 HydrophobicContact CE2-CD2 4.49Å; Y85-L161 HydrophobicContact CE2-CG 4.06Å; Y85-L161 HydrophobicContact CG-CB 4.49Å; Y85-L161 HydrophobicContact CG-CD2 3.63Å; Y85-L161 HydrophobicContact CG-CG 3.92Å; Y85-A162 HydrophobicContact CD2-CB 4Å; Y85-A162 HydrophobicContact CE2-CB 4.47Å; Y85-M165 HydrophobicContact CE2-CB 4.12Å; Y85-M165 HydrophobicContact CE2-CG 3.82Å; Y85-M165 WeakPolarHBondContact OH-CG 3.41Å
86	P	93.4	Very high	96.7	Very high	74 Å²	74	33.2 Å²	33.2	48%	0.481	16%	0.164	S	C	.	.	S	Bend	trans	-71.8	-34.6	-166.8	25.3	-34.8	0	0	0	114.7	F52 L57	F52-P86 HydrophobicContact CD1-CG 4.45Å; F52-P86 HydrophobicContact CG-CG 4.34Å; L57-P86 HydrophobicContact CB-CG 4.44Å
87	K	95.6	Very high	96.6	Very high	111 Å²	111	40.1 Å²	40.1	48%	0.483	20%	0.196	S	C	.	.	S	Bend	trans	-143.6	106	-172.7	-169	179.9	-167.5	-171.3	0	111.8	G59 V60 Y85 Y144	G59-K87 VanDerWaalsContact CA-O 3.3Å; G59-K87 WeakPolarHBondContact CA-O 3.21Å; V60-K87 PolarHBondContact N-O 3.13Å; Y85-K87 WeakPolarHBondContact CD1-O 3.37Å; Y85-K87 WeakPolarHBondContact CE1-O 3.09Å; K87-Y144 HydrophobicContact CD-CE1 3.94Å; K87-Y144 VanDerWaalsContact CE-CE1 3.46Å; K87-Y144 WeakPolarHBondContact CE-OH 3.11Å; K87-Y144 HydrophobicContact CG-CE1 4.12Å
88	Y	98.4	Very high	96.5	Very high	25 Å²	25	47.7 Å²	47.7	10%	0.098	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	162.9	177.4	69.9	-79.4	0	0	0	111.7	V60 I62 F80 F81 L83 Y85 I90 V115 L161	V60-Y88 WeakPolarHBondContact O-CA 3.45Å; V60-Y88 VanDerWaalsContact O-CB 3.31Å; V60-Y88 WeakPolarHBondContact O-CB 3.34Å; I62-Y88 HydrophobicContact CD1-CD2 3.63Å; I62-Y88 HydrophobicContact CD1-CE2 4.18Å; I62-Y88 HydrophobicContact CD1-CG 4.43Å; I62-Y88 HydrophobicContact CG1-CD2 4.4Å; F80-Y88 VanDerWaalsContact O-CE2 3.23Å; F80-Y88 WeakPolarHBondContact O-CE2 3.26Å; F80-Y88 PolarHBondContact O-OH 2.88Å; F81-Y88 PolarHBondContact O-OH 3.34Å; L83-Y88 HydrophobicContact CB-CE1 4.2Å; L83-Y88 HydrophobicContact CD1-CE2 4.19Å; Y85-Y88 HydrophobicContact CD1-CD1 4.18Å; Y88-I90 HydrophobicContact CD2-CG1 4.22Å; Y88-I90 HydrophobicContact CE2-CD1 4.18Å; Y88-I90 HydrophobicContact CE2-CG1 4.02Å; Y88-V115 HydrophobicContact CD2-CG1 4.49Å; Y88-V115 HydrophobicContact CE2-CG1 3.75Å; Y88-L161 HydrophobicContact CG-CD2 4.42Å
89	E	98.6	Very high	96.4	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.019	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	157.2	171.3	65.8	-178.2	167.3	0	0	110.5	V60 S61 I62 L91 Q116 Q143 Y144	V60-E89 PolarHBondContact O-N 3.09Å; V60-E89 VanDerWaalsContact O-N 3.11Å; S61-E89 WeakPolarHBondContact CB-OE1 3.45Å; S61-E89 PolarHBondContact OG-OE1 3.42Å; I62-E89 WeakPolarHBondContact CB-O 3.34Å; I62-E89 WeakPolarHBondContact CG1-O 3.47Å; I62-E89 PolarHBondContact N-O 3.09Å; E89-L91 HydrophobicContact CG-CD2 4.09Å; E89-L91 HydrophobicContact CG-CG 4.27Å; E89-Q116 CarbonylContact C-O 3.53Å; E89-Q116 VanDerWaalsContact CA-O 3.24Å; E89-Q116 WeakPolarHBondContact CA-O 3.33Å; E89-Q116 HydrophobicContact CB-CB 4.01Å; E89-Q116 HydrophobicContact CB-CG 3.92Å; E89-Q116 PolarHBondContact OE2-NE2 3.15Å; E89-Q143 WeakPolarHBondContact OE1-CB 3.41Å; E89-Q143 PolarHBondContact OE1-N 2.77Å; E89-Q143 WeakPolarHBondContact OE2-CG 3.34Å; E89-Y144 HydrophobicContact CB-CE2 4.22Å; E89-Y144 HydrophobicContact CG-CD2 4.07Å; E89-Y144 HydrophobicContact CG-CE2 3.86Å
90	I	98.7	Very high	96.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	119.3	176.3	-44.8	170.1	0	0	0	110.1	I62 K64 F80 F81 Y88 F92 V115 Q116 T117 A118	I62-I90 HydrophobicContact CD1-CG1 4.48Å; K64-I90 HydrophobicContact CG-CG2 3.99Å; F80-I90 HydrophobicContact CB-CD1 3.83Å; F81-I90 HydrophobicContact CD1-CD1 4.04Å; F81-I90 HydrophobicContact CD2-CD1 4.17Å; F81-I90 HydrophobicContact CE1-CD1 4.07Å; F81-I90 HydrophobicContact CE2-CD1 4.18Å; F81-I90 HydrophobicContact CG-CD1 4.12Å; F81-I90 HydrophobicContact CZ-CD1 4.14Å; Y88-I90 HydrophobicContact CD2-CG1 4.22Å; Y88-I90 HydrophobicContact CE2-CD1 4.18Å; Y88-I90 HydrophobicContact CE2-CG1 4.02Å; I90-F92 HydrophobicContact CB-CE2 4.07Å; I90-F92 HydrophobicContact CB-CZ 4.16Å; I90-F92 HydrophobicContact CG2-CD1 4.29Å; I90-F92 HydrophobicContact CG2-CD2 4.24Å; I90-F92 HydrophobicContact CG2-CE1 3.75Å; I90-F92 HydrophobicContact CG2-CE2 3.68Å; I90-F92 HydrophobicContact CG2-CZ 3.41Å; I90-F92 VanDerWaalsContact CG2-CZ 3.41Å; I90-V115 HydrophobicContact CD1-CG1 3.82Å; I90-V115 HydrophobicContact CG1-CG1 4.09Å; I90-Q116 PolarHBondContact N-O 3.26Å; I90-T117 HydrophobicContact CB-CG2 4.03Å; I90-T117 HydrophobicContact CD1-CG2 4.42Å; I90-T117 HydrophobicContact CG1-CG2 4.47Å; I90-T117 CarbonylContact O-C 3.48Å; I90-T117 WeakPolarHBondContact O-CA 3.36Å; I90-A118 PolarHBondContact O-N 2.98Å
91	L	98.7	Very high	96.2	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	99.1	-177.6	-50.2	179.6	0	0	0	109	I62 I63 K64 E89 A118 F120 A138 A142	I62-L91 PolarHBondContact O-N 2.93Å; I63-L91 HydrophobicContact CG1-CB 4.49Å; I63-L91 HydrophobicContact CG1-CD1 4.33Å; K64-L91 PolarHBondContact N-O 3.5Å; E89-L91 HydrophobicContact CG-CD2 4.09Å; E89-L91 HydrophobicContact CG-CG 4.27Å; L91-A118 HydrophobicContact CD2-CB 3.89Å; L91-F120 HydrophobicContact CB-CD2 4.49Å; L91-F120 HydrophobicContact CB-CE2 4.05Å; L91-F120 HydrophobicContact CD2-CE2 4.05Å; L91-F120 HydrophobicContact CG-CE2 4.48Å; L91-A138 HydrophobicContact CB-CB 3.68Å; L91-A138 HydrophobicContact CD1-CB 4.1Å; L91-A138 VanDerWaalsContact CD1-O 3.3Å; L91-A138 WeakPolarHBondContact CD1-O 3.34Å; L91-A142 HydrophobicContact CD1-CB 4.12Å
92	F	98.5	Very high	96.1	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	132	178.5	-61	-77.2	0	0	0	110.2	K64 L66 L77 F81 I90 V105 V109 T117 A118 V119 F120	K64-F92 HydrophobicContact CB-CD1 3.72Å; K64-F92 HydrophobicContact CB-CE1 4.12Å; K64-F92 HydrophobicContact CG-CD1 4.34Å; K64-F92 HydrophobicContact CG-CE1 4.24Å; L66-F92 HydrophobicContact CD1-CB 4.41Å; L66-F92 HydrophobicContact CD1-CD1 3.95Å; L77-F92 HydrophobicContact CD1-CE1 4.17Å; L77-F92 HydrophobicContact CD2-CE1 4.19Å; F81-F92 HydrophobicContact CE2-CE2 4.47Å; F81-F92 AromaticContact CE2-CZ 3.78Å; F81-F92 HydrophobicContact CE2-CZ 3.78Å; F81-F92 AromaticContact CZ-CE2 3.9Å; F81-F92 HydrophobicContact CZ-CE2 3.9Å; F81-F92 AromaticContact CZ-CZ 3.66Å; F81-F92 HydrophobicContact CZ-CZ 3.66Å; I90-F92 HydrophobicContact CB-CE2 4.07Å; I90-F92 HydrophobicContact CB-CZ 4.16Å; I90-F92 HydrophobicContact CG2-CD1 4.29Å; I90-F92 HydrophobicContact CG2-CD2 4.24Å; I90-F92 HydrophobicContact CG2-CE1 3.75Å; I90-F92 HydrophobicContact CG2-CE2 3.68Å; I90-F92 HydrophobicContact CG2-CZ 3.41Å; I90-F92 VanDerWaalsContact CG2-CZ 3.41Å; F92-V105 HydrophobicContact CB-CG1 4.09Å; F92-V105 HydrophobicContact CD1-CG1 4.21Å; F92-V105 HydrophobicContact CD1-CG2 4.04Å; F92-V105 HydrophobicContact CD2-CG1 3.52Å; F92-V105 HydrophobicContact CE1-CG2 4.44Å; F92-V105 HydrophobicContact CE2-CG1 3.93Å; F92-V105 HydrophobicContact CG-CG1 3.66Å; F92-V105 HydrophobicContact CG-CG2 4.21Å; F92-V105 HydrophobicContact CZ-CG1 4.42Å; F92-V109 HydrophobicContact CE2-CG2 4.23Å; F92-T117 HydrophobicContact CE2-CG2 4.14Å; F92-A118 PolarHBondContact N-O 3.02Å; F92-V119 HydrophobicContact CB-CG2 4.37Å; F92-V119 HydrophobicContact CD2-CG2 4.35Å; F92-F120 PolarHBondContact O-N 2.91Å
93	C	97.7	Very high	96.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122.1	-179.6	-48.2	0	0	0	0	110.1	K64 L66 N134 A138	K64-C93 PolarHBondContact O-N 3Å; L66-C93 PolarHBondContact N-O 3.48Å; C93-N134 WeakPolarHBondContact CB-O 3.46Å; C93-N134 PolarHBondContact O-ND2 3.36Å; C93-A138 WeakPolarHBondContact SG-CB 3.39Å
94	V	96.4	Very high	96.2	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.7	179.8	-171.5	0	0	0	0	108.6	L66 D96 D99 L102 F120 V121 G122 N134	L66-V94 HydrophobicContact CB-CG2 4.28Å; L66-V94 HydrophobicContact CD1-CG2 4.31Å; V94-D96 VanDerWaalsContact CG1-O 3.29Å; V94-D96 WeakPolarHBondContact CG1-O 3.44Å; V94-D99 HydrophobicContact CG1-CB 3.28Å; V94-L102 HydrophobicContact CB-CD2 4.2Å; V94-L102 HydrophobicContact CB-CG 4.48Å; V94-L102 HydrophobicContact CG1-CD1 4.37Å; V94-L102 HydrophobicContact CG1-CD2 4.42Å; V94-L102 HydrophobicContact CG1-CG 4.15Å; V94-L102 HydrophobicContact CG2-CD2 3.76Å; V94-L102 HydrophobicContact CG2-CG 4.22Å; V94-F120 PolarHBondContact N-O 3.19Å; V94-V121 CarbonylContact O-C 3.58Å; V94-V121 WeakPolarHBondContact O-CA 3.46Å; V94-G122 PolarHBondContact O-N 2.9Å; V94-N134 PolarHBondContact N-OD1 3.41Å; V94-N134 PolarHBondContact O-OD1 2.74Å
95	H	91.5	Very high	96.3	Very high	120 Å²	120	45 Å²	45	56%	0.556	23%	0.233	S	C	*	.	S	Bend	trans	-82.5	-42.1	-179.6	-173.8	53	0	0	0	112.5	G122 N134	H95-G122 PolarHBondContact CE1-O 2.82Å; H95-G122 PolarHBondContact ND1-O 3.34Å; H95-G122 VanDerWaalsContact O-CA 3.25Å; H95-G122 WeakPolarHBondContact O-CA 3.44Å; H95-G122 PolarHBondContact O-N 3.03Å; H95-N134 PolarHBondContact N-OD1 2.93Å
96	D	92.2	Very high	96.4	Very high	82 Å²	82	51.3 Å²	51.3	44%	0.439	26%	0.257	S	S	.	.			trans	-102.1	134.7	-176.3	-172	-13.1	0	0	0	111.1	V94 H98 D99	V94-D96 VanDerWaalsContact CG1-O 3.29Å; V94-D96 WeakPolarHBondContact CG1-O 3.44Å; D96-H98 PolarHBondContact O-N 3.39Å; D96-H98 IonicContact OD1-CG 3.86Å; D96-H98 PolarHBondContact OD1-N 3.06Å; D96-H98 IonicContact OD1-ND1 2.7Å; D96-H98 PolarHBondContact OD1-ND1 2.53Å; D96-D99 HydrophobicContact CB-CB 4.26Å; D96-D99 VanDerWaalsContact O-CB 3.31Å; D96-D99 WeakPolarHBondContact O-CB 3.15Å; D96-D99 PolarHBondContact O-N 3.2Å
97	E	94	Very high	96.6	Very high	145 Å²	145	49.9 Å²	49.9	68%	0.678	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.6	174	-70.7	-178.3	175.4	0	0	113.6	L102 V121	E97-L102 WeakPolarHBondContact O-CD1 3.24Å; E97-V121 HydrophobicContact CB-CG1 4.18Å; E97-V121 HydrophobicContact CG-CB 4.44Å; E97-V121 HydrophobicContact CG-CG1 3.46Å; E97-V121 VanDerWaalsContact CG-CG1 3.46Å
98	H	95.5	Very high	96.7	Very high	161 Å²	161	45.2 Å²	45.2	75%	0.745	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	9.2	177.9	-54.5	86.6	0	0	0	112.7	D96 S100	D96-H98 PolarHBondContact O-N 3.39Å; D96-H98 IonicContact OD1-CG 3.86Å; D96-H98 PolarHBondContact OD1-N 3.06Å; D96-H98 IonicContact OD1-ND1 2.7Å; D96-H98 PolarHBondContact OD1-ND1 2.53Å; H98-S100 PolarHBondContact O-N 3.49Å
99	D	95.6	Very high	96.7	Very high	19 Å²	19	46 Å²	46	10%	0.102	24%	0.236	C	C	.	.			trans	-60.3	132	179.7	-165.7	-63.6	0	0	0	110.8	V67 G68 V94 D96 A101 L102	V67-D99 WeakPolarHBondContact CA-OD2 3.24Å; G68-D99 WeakPolarHBondContact CA-OD1 3.3Å; G68-D99 VanDerWaalsContact N-CG 3.34Å; G68-D99 PolarHBondContact N-OD1 3.03Å; G68-D99 PolarHBondContact N-OD2 3.08Å; V94-D99 HydrophobicContact CG1-CB 3.28Å; D96-D99 HydrophobicContact CB-CB 4.26Å; D96-D99 VanDerWaalsContact O-CB 3.31Å; D96-D99 WeakPolarHBondContact O-CB 3.15Å; D96-D99 PolarHBondContact O-N 3.2Å; D99-A101 PolarHBondContact O-N 3.3Å; D99-A101 VanDerWaalsContact O-N 3.08Å; D99-A101 WeakPolarHBondContact OD1-CB 3.37Å; D99-A101 PolarHBondContact OD1-N 3.47Å; D99-L102 WeakPolarHBondContact O-CB 3.4Å; D99-L102 PolarHBondContact O-N 3.43Å; D99-L102 VanDerWaalsContact O-N 3.08Å
100	S	95.9	Very high	96.7	Very high	66 Å²	66	53 Å²	53	46%	0.462	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-14.6	-177.8	52.9	0	0	0	0	113.7	V69 H98 L102 P103	V69-S100 WeakPolarHBondContact CG2-O 3.17Å; V69-S100 WeakPolarHBondContact CG2-OG 3.45Å; V69-S100 PolarHBondContact N-OG 3.19Å; H98-S100 PolarHBondContact O-N 3.49Å; S100-L102 VanDerWaalsContact C-N 3.32Å; S100-P103 WeakPolarHBondContact O-CD 3.48Å
101	A	96.4	Very high	96.6	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-69.8	-26.9	173.9	0	0	0	0	0	113.1	L66 L73 D99 V104 V105	L66-A101 HydrophobicContact CB-CB 4.08Å; L66-A101 HydrophobicContact CD1-CB 4.13Å; L73-A101 HydrophobicContact CD2-CB 3.95Å; D99-A101 PolarHBondContact O-N 3.3Å; D99-A101 VanDerWaalsContact O-N 3.08Å; D99-A101 WeakPolarHBondContact OD1-CB 3.37Å; D99-A101 PolarHBondContact OD1-N 3.47Å; A101-V104 WeakPolarHBondContact O-CB 3.38Å; A101-V104 PolarHBondContact O-N 3.14Å; A101-V104 VanDerWaalsContact O-N 3.14Å; A101-V105 WeakPolarHBondContact O-CG2 3.22Å; A101-V105 PolarHBondContact O-N 3.45Å
102	L	97.4	Very high	96.6	Very high	6 Å²	6	60.6 Å²	60.6	3%	0.031	30%	0.302	C	S	.	.	H	α-helix	trans	-60.7	-46.2	-173.8	-74.9	167.5	0	0	0	113.4	V94 E97 D99 S100 V104 V105 R106 V119 V121	V94-L102 HydrophobicContact CB-CD2 4.2Å; V94-L102 HydrophobicContact CB-CG 4.48Å; V94-L102 HydrophobicContact CG1-CD1 4.37Å; V94-L102 HydrophobicContact CG1-CD2 4.42Å; V94-L102 HydrophobicContact CG1-CG 4.15Å; V94-L102 HydrophobicContact CG2-CD2 3.76Å; V94-L102 HydrophobicContact CG2-CG 4.22Å; E97-L102 WeakPolarHBondContact O-CD1 3.24Å; D99-L102 WeakPolarHBondContact O-CB 3.4Å; D99-L102 PolarHBondContact O-N 3.43Å; D99-L102 VanDerWaalsContact O-N 3.08Å; S100-L102 VanDerWaalsContact C-N 3.32Å; L102-V104 VanDerWaalsContact C-N 3.29Å; L102-V104 PolarHBondContact O-N 3.44Å; L102-V105 PolarHBondContact O-N 2.92Å; L102-R106 WeakPolarHBondContact O-CG 3.15Å; L102-R106 PolarHBondContact O-N 2.81Å; L102-V119 HydrophobicContact CD2-CG1 3.78Å; L102-V121 HydrophobicContact CD2-CG2 4.19Å
103	P	97.1	Very high	96.5	Very high	85 Å²	85	65.7 Å²	65.7	55%	0.552	34%	0.335	S	S	*	.	H	α-helix	trans	-55.8	-39.9	172.8	-27.7	34.3	0	0	0	113.9	S100 S107	S100-P103 WeakPolarHBondContact O-CD 3.48Å; P103-S107 WeakPolarHBondContact O-CB 3.21Å; P103-S107 PolarHBondContact O-N 3.43Å
104	V	97.4	Very high	96.4	Very high	31 Å²	31	72.1 Å²	72.1	19%	0.188	37%	0.365	C	S	.	.	H	α-helix	trans	-65.1	-45.8	178.5	178.1	0	0	0	0	110.5	V69 L73 A74 A101 L102 S107 L108	V69-V104 HydrophobicContact CG2-CG2 4.26Å; L73-V104 HydrophobicContact CD2-CB 4.45Å; L73-V104 HydrophobicContact CD2-CG1 4.42Å; L73-V104 HydrophobicContact CG-CG1 4.47Å; A74-V104 HydrophobicContact CB-CG1 3.65Å; A101-V104 WeakPolarHBondContact O-CB 3.38Å; A101-V104 PolarHBondContact O-N 3.14Å; A101-V104 VanDerWaalsContact O-N 3.14Å; L102-V104 VanDerWaalsContact C-N 3.29Å; L102-V104 PolarHBondContact O-N 3.44Å; V104-S107 PolarHBondContact O-N 3.4Å; V104-L108 HydrophobicContact CG1-CD1 4.22Å; V104-L108 WeakPolarHBondContact O-CG 3.23Å; V104-L108 PolarHBondContact O-N 2.82Å; V104-L108 VanDerWaalsContact O-N 3.11Å
105	V	97.5	Very high	96.5	Very high	0 Å²	0	72.8 Å²	72.8	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-62	-49.8	177.5	173.7	0	0	0	0	111	L66 L77 F92 A101 L102 S107 L108 V109 V119	L66-V105 HydrophobicContact CD1-CG2 3.27Å; L77-V105 HydrophobicContact CD1-CG2 4.04Å; F92-V105 HydrophobicContact CB-CG1 4.09Å; F92-V105 HydrophobicContact CD1-CG1 4.21Å; F92-V105 HydrophobicContact CD1-CG2 4.04Å; F92-V105 HydrophobicContact CD2-CG1 3.52Å; F92-V105 HydrophobicContact CE1-CG2 4.44Å; F92-V105 HydrophobicContact CE2-CG1 3.93Å; F92-V105 HydrophobicContact CG-CG1 3.66Å; F92-V105 HydrophobicContact CG-CG2 4.21Å; F92-V105 HydrophobicContact CZ-CG1 4.42Å; A101-V105 WeakPolarHBondContact O-CG2 3.22Å; A101-V105 PolarHBondContact O-N 3.45Å; L102-V105 PolarHBondContact O-N 2.92Å; V105-S107 VanDerWaalsContact C-N 3.32Å; V105-S107 PolarHBondContact O-N 2.95Å; V105-L108 PolarHBondContact O-N 3.37Å; V105-L108 VanDerWaalsContact O-N 3.07Å; V105-V109 HydrophobicContact CG1-CG2 4.17Å; V105-V109 WeakPolarHBondContact O-CG2 3.26Å; V105-V109 PolarHBondContact O-N 3.42Å; V105-V119 HydrophobicContact CG1-CG2 3.75Å
106	R	97.4	Very high	96.8	Very high	147 Å²	147	70.7 Å²	70.7	56%	0.555	36%	0.36	S	S	*	.	H	α-helix	trans	-56.4	-46.5	179.7	-71	174.4	-174.2	174.5	3.9	111.4	L102 L108 V109 E110	L102-R106 WeakPolarHBondContact O-CG 3.15Å; L102-R106 PolarHBondContact O-N 2.81Å; R106-L108 VanDerWaalsContact C-N 3.32Å; R106-L108 PolarHBondContact O-N 3.42Å; R106-V109 PolarHBondContact O-N 3.19Å; R106-E110 WeakPolarHBondContact O-CG 3.42Å; R106-E110 PolarHBondContact O-N 2.82Å
107	S	97.8	Very high	97.1	Very high	43 Å²	43	68.6 Å²	68.6	30%	0.301	35%	0.35	S	S	.	.	H	α-helix	trans	-60.9	-38.2	176.6	-173.8	0	0	0	0	113.1	P103 V104 V105 K111	P103-S107 WeakPolarHBondContact O-CB 3.21Å; P103-S107 PolarHBondContact O-N 3.43Å; V104-S107 PolarHBondContact O-N 3.4Å; V105-S107 VanDerWaalsContact C-N 3.32Å; V105-S107 PolarHBondContact O-N 2.95Å; S107-K111 WeakPolarHBondContact O-CB 3.4Å; S107-K111 WeakPolarHBondContact O-CD 3.23Å; S107-K111 VanDerWaalsContact O-CG 3.23Å; S107-K111 WeakPolarHBondContact O-CG 3.23Å; S107-K111 PolarHBondContact O-N 3.44Å; S107-K111 PolarHBondContact OG-NZ 3.29Å
108	L	98	Very high	97.3	Very high	14 Å²	14	63.3 Å²	63.3	7%	0.073	33%	0.331	C	S	.	.	H	α-helix	trans	-72.3	-38	178.1	-74.1	171.5	0	0	0	112.6	L77 A78 F81 V104 V105 R106 K111 H112	L77-L108 HydrophobicContact CB-CD1 3.5Å; L77-L108 VanDerWaalsContact CB-CD1 3.5Å; L77-L108 HydrophobicContact CD1-CD1 4.33Å; A78-L108 HydrophobicContact CB-CD2 3.97Å; F81-L108 HydrophobicContact CD2-CB 4.41Å; F81-L108 HydrophobicContact CE2-CB 3.7Å; F81-L108 HydrophobicContact CE2-CD1 4.19Å; F81-L108 HydrophobicContact CE2-CG 4.45Å; F81-L108 HydrophobicContact CZ-CB 3.88Å; V104-L108 HydrophobicContact CG1-CD1 4.22Å; V104-L108 WeakPolarHBondContact O-CG 3.23Å; V104-L108 PolarHBondContact O-N 2.82Å; V104-L108 VanDerWaalsContact O-N 3.11Å; V105-L108 PolarHBondContact O-N 3.37Å; V105-L108 VanDerWaalsContact O-N 3.07Å; R106-L108 VanDerWaalsContact C-N 3.32Å; R106-L108 PolarHBondContact O-N 3.42Å; L108-K111 PolarHBondContact O-N 2.75Å; L108-H112 PolarHBondContact O-N 2.82Å; L108-H112 PolarHBondContact O-ND1 2.95Å
109	V	98	Very high	97.4	Very high	40 Å²	40	58.5 Å²	58.5	24%	0.242	31%	0.313	C	S	.	.	H	α-helix	trans	-62.7	-47	175.5	170.1	0	0	0	0	110.5	F81 F92 V105 R106 K111 H112 T117	F81-V109 HydrophobicContact CZ-CG2 4.33Å; F92-V109 HydrophobicContact CE2-CG2 4.23Å; V105-V109 HydrophobicContact CG1-CG2 4.17Å; V105-V109 WeakPolarHBondContact O-CG2 3.26Å; V105-V109 PolarHBondContact O-N 3.42Å; R106-V109 PolarHBondContact O-N 3.19Å; V109-K111 VanDerWaalsContact C-N 3.28Å; V109-K111 PolarHBondContact O-N 2.94Å; V109-H112 CarbonylContact O-C 3.58Å; V109-H112 PolarHBondContact O-N 2.92Å; V109-T117 WeakPolarHBondContact CG1-OG1 3.43Å; V109-T117 HydrophobicContact CG2-CG2 4.27Å; V109-T117 WeakPolarHBondContact CG2-OG1 3.4Å
110	E	97.9	Very high	97.5	Very high	151 Å²	151	59.8 Å²	59.8	71%	0.706	32%	0.318	S	S	*	.	H	α-helix	trans	-60.2	-36.7	176.8	-73	169.1	-171.8	0	0	112.7	R106 H112	R106-E110 WeakPolarHBondContact O-CG 3.42Å; R106-E110 PolarHBondContact O-N 2.82Å; E110-H112 VanDerWaalsContact C-N 3.33Å; E110-H112 PolarHBondContact O-N 3.4Å
111	K	97.9	Very high	97.5	Very high	137 Å²	137	59.4 Å²	59.4	60%	0.596	31%	0.312	S	S	*	.	H	α-helix	trans	-74.9	-18.2	179.4	-76	171.2	-177.8	166.6	0	114.2	S107 L108 V109	S107-K111 WeakPolarHBondContact O-CB 3.4Å; S107-K111 WeakPolarHBondContact O-CD 3.23Å; S107-K111 VanDerWaalsContact O-CG 3.23Å; S107-K111 WeakPolarHBondContact O-CG 3.23Å; S107-K111 PolarHBondContact O-N 3.44Å; S107-K111 PolarHBondContact OG-NZ 3.29Å; L108-K111 PolarHBondContact O-N 2.75Å; V109-K111 VanDerWaalsContact C-N 3.28Å; V109-K111 PolarHBondContact O-N 2.94Å
112	H	97.8	Very high	97.4	Very high	24 Å²	24	61 Å²	61	11%	0.111	33%	0.329	C	S	.	.			trans	-134.3	60.4	-174.5	-52.8	94.3	0	0	0	111.9	F81 H82 L108 V109 E110 Q114 V115	F81-H112 HydrophobicContact CB-CB 4.15Å; F81-H112 HydrophobicContact CD1-CB 3.42Å; F81-H112 VanDerWaalsContact CD1-CB 3.42Å; F81-H112 AromaticContact CD1-CG 3.78Å; F81-H112 AromaticContact CD1-ND1 3.88Å; F81-H112 HydrophobicContact CE1-CB 4.08Å; F81-H112 HydrophobicContact CG-CB 4.07Å; F81-H112 AromaticContact CG-CG 3.91Å; F81-H112 AromaticContact CG-ND1 3.8Å; H82-H112 AromaticContact CE1-NE2 3.84Å; H82-H112 AromaticContact NE2-CD2 3.88Å; H82-H112 AromaticContact NE2-NE2 3.36Å; H82-H112 PolarHBondContact NE2-NE2 3.45Å; L108-H112 PolarHBondContact O-N 2.82Å; L108-H112 PolarHBondContact O-ND1 2.95Å; V109-H112 CarbonylContact O-C 3.58Å; V109-H112 PolarHBondContact O-N 2.92Å; E110-H112 VanDerWaalsContact C-N 3.33Å; E110-H112 PolarHBondContact O-N 3.4Å; H112-Q114 PolarHBondContact O-N 3.17Å; H112-Q114 VanDerWaalsContact O-N 3.08Å; H112-V115 HydrophobicContact CB-CG2 4.46Å; H112-V115 PolarHBondContact O-N 3.49Å
113	P	97	Very high	97.2	Very high	108 Å²	108	61.9 Å²	61.9	70%	0.701	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.8	-175.8	28.3	-36.7	0	0	0	113.7	V115	P113-V115 VanDerWaalsContact C-N 3.26Å; P113-V115 PolarHBondContact O-N 2.89Å
114	Q	95.8	Very high	97	Very high	135 Å²	135	60.6 Å²	60.6	63%	0.631	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-17.1	175.9	73.9	-75.1	-4.3	0	0	113.9	H112	H112-Q114 PolarHBondContact O-N 3.17Å; H112-Q114 VanDerWaalsContact O-N 3.08Å
115	V	97.3	Very high	96.8	Very high	14 Å²	14	68.4 Å²	68.4	9%	0.085	36%	0.363	C	S	.	.	S	Bend	trans	-97.8	122.2	178.5	-177.1	0	0	0	0	108.3	F81 Y88 I90 H112 P113 T117	F81-V115 HydrophobicContact CB-CG2 4.47Å; F81-V115 HydrophobicContact CD1-CB 3.9Å; F81-V115 HydrophobicContact CD1-CG1 4.13Å; F81-V115 HydrophobicContact CD1-CG2 4.09Å; F81-V115 HydrophobicContact CE1-CB 4.45Å; Y88-V115 HydrophobicContact CD2-CG1 4.49Å; Y88-V115 HydrophobicContact CE2-CG1 3.75Å; I90-V115 HydrophobicContact CD1-CG1 3.82Å; I90-V115 HydrophobicContact CG1-CG1 4.09Å; H112-V115 HydrophobicContact CB-CG2 4.46Å; H112-V115 PolarHBondContact O-N 3.49Å; P113-V115 VanDerWaalsContact C-N 3.26Å; P113-V115 PolarHBondContact O-N 2.89Å; V115-T117 HydrophobicContact CG1-CG2 4.28Å; V115-T117 PolarHBondContact O-N 2.84Å
116	Q	98	Very high	96.6	Very high	76 Å²	76	70.4 Å²	70.4	36%	0.355	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	125.4	176.5	-177.6	176.4	-18.2	0	0	110.2	E89 I90	E89-Q116 CarbonylContact C-O 3.53Å; E89-Q116 VanDerWaalsContact CA-O 3.24Å; E89-Q116 WeakPolarHBondContact CA-O 3.33Å; E89-Q116 HydrophobicContact CB-CB 4.01Å; E89-Q116 HydrophobicContact CB-CG 3.92Å; E89-Q116 PolarHBondContact OE2-NE2 3.15Å; I90-Q116 PolarHBondContact N-O 3.26Å
117	T	98.5	Very high	96.4	Very high	38 Å²	38	64.5 Å²	64.5	23%	0.233	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	153.9	-179.4	60.2	0	0	0	0	112.1	F81 I90 F92 V109 V115	F81-T117 HydrophobicContact CE1-CG2 3.66Å; F81-T117 HydrophobicContact CZ-CG2 4.14Å; I90-T117 HydrophobicContact CB-CG2 4.03Å; I90-T117 HydrophobicContact CD1-CG2 4.42Å; I90-T117 HydrophobicContact CG1-CG2 4.47Å; I90-T117 CarbonylContact O-C 3.48Å; I90-T117 WeakPolarHBondContact O-CA 3.36Å; F92-T117 HydrophobicContact CE2-CG2 4.14Å; V109-T117 WeakPolarHBondContact CG1-OG1 3.43Å; V109-T117 HydrophobicContact CG2-CG2 4.27Å; V109-T117 WeakPolarHBondContact CG2-OG1 3.4Å; V115-T117 HydrophobicContact CG1-CG2 4.28Å; V115-T117 PolarHBondContact O-N 2.84Å
118	A	98.2	Very high	96.1	Very high	34 Å²	34	65.2 Å²	65.2	28%	0.281	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	148.7	169.1	0	0	0	0	0	110	I90 L91 F92 F120	I90-A118 PolarHBondContact O-N 2.98Å; L91-A118 HydrophobicContact CD2-CB 3.89Å; F92-A118 PolarHBondContact N-O 3.02Å; A118-F120 HydrophobicContact CB-CE2 3.65Å; A118-F120 HydrophobicContact CB-CZ 3.94Å
119	V	98	Very high	95.8	Very high	61 Å²	61	64.6 Å²	64.6	37%	0.37	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	121.2	178	-174.8	0	0	0	0	108.5	F92 L102 V105 V121	F92-V119 HydrophobicContact CB-CG2 4.37Å; F92-V119 HydrophobicContact CD2-CG2 4.35Å; L102-V119 HydrophobicContact CD2-CG1 3.78Å; V105-V119 HydrophobicContact CG1-CG2 3.75Å; V119-V121 HydrophobicContact CG1-CG2 4.22Å
120	F	97.9	Very high	95.5	Very high	46 Å²	46	64.1 Å²	64.1	20%	0.202	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.6	177.3	-59.5	-89.7	0	0	0	109.1	L91 F92 V94 A118 P137 A138 A141	L91-F120 HydrophobicContact CB-CD2 4.49Å; L91-F120 HydrophobicContact CB-CE2 4.05Å; L91-F120 HydrophobicContact CD2-CE2 4.05Å; L91-F120 HydrophobicContact CG-CE2 4.48Å; F92-F120 PolarHBondContact O-N 2.91Å; V94-F120 PolarHBondContact N-O 3.19Å; A118-F120 HydrophobicContact CB-CE2 3.65Å; A118-F120 HydrophobicContact CB-CZ 3.94Å; F120-P137 HydrophobicContact CB-CB 3.97Å; F120-P137 HydrophobicContact CD1-CB 3.67Å; F120-P137 HydrophobicContact CE1-CB 4.49Å; F120-P137 HydrophobicContact CG-CB 3.99Å; F120-A138 HydrophobicContact CD2-CB 3.81Å; F120-A138 HydrophobicContact CE2-CB 4Å; F120-A138 HydrophobicContact CG-CB 4.49Å; F120-A141 HydrophobicContact CE1-CB 3.69Å; F120-A141 HydrophobicContact CE2-CB 4.36Å; F120-A141 HydrophobicContact CZ-CB 3.36Å
121	V	97	Very high	95.3	Very high	57 Å²	57	57.5 Å²	57.5	35%	0.345	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	143.1	179.7	-167.3	0	0	0	0	110.2	V94 E97 L102 V119	V94-V121 CarbonylContact O-C 3.58Å; V94-V121 WeakPolarHBondContact O-CA 3.46Å; E97-V121 HydrophobicContact CB-CG1 4.18Å; E97-V121 HydrophobicContact CG-CB 4.44Å; E97-V121 HydrophobicContact CG-CG1 3.46Å; E97-V121 VanDerWaalsContact CG-CG1 3.46Å; L102-V121 HydrophobicContact CD2-CG2 4.19Å; V119-V121 HydrophobicContact CG1-CG2 4.22Å
122	G	93.6	Very high	95.1	Very high	35 Å²	35	51 Å²	51	36%	0.361	30%	0.295	S	S	.	.	S	Bend	trans	99.5	-34.9	177.3	0	0	0	0	0	114.7	V94 H95	V94-G122 PolarHBondContact O-N 2.9Å; H95-G122 PolarHBondContact CE1-O 2.82Å; H95-G122 PolarHBondContact ND1-O 3.34Å; H95-G122 VanDerWaalsContact O-CA 3.25Å; H95-G122 WeakPolarHBondContact O-CA 3.44Å; H95-G122 PolarHBondContact O-N 3.03Å
123	G	92.6	Very high	95	Very high	24 Å²	24	50.9 Å²	50.9	25%	0.247	30%	0.296	C	S	.	.			trans	68.2	-169.7	-173.3	0	0	0	0	0	113.2	N133	G123-N133 CarbonylContact C-O 3.59Å; G123-N133 WeakPolarHBondContact CA-O 3.3Å
124	C	93.9	Very high	95	Very high	57 Å²	57	45.8 Å²	45.8	39%	0.385	26%	0.263	S	S	.	.			trans	-137.5	125.8	174.4	-177.3	0	0	0	0	109.8	V126 N133 M136 P137	C124-V126 HydrophobicContact CB-CG1 4.42Å; C124-V126 PolarHBondContact O-N 2.87Å; C124-N133 PolarHBondContact N-O 3.29Å; C124-N133 CarbonylContact O-C 3.57Å; C124-N133 WeakPolarHBondContact O-CA 3.49Å; C124-N133 VanDerWaalsContact O-CB 3.24Å; C124-N133 WeakPolarHBondContact O-CB 3.21Å; C124-N133 PolarHBondContact O-OD1 3.01Å; C124-M136 HydrophobicContact CB-CB 3.84Å; C124-P137 HydrophobicContact CB-CG 4.44Å
125	K	92.8	Very high	95	Very high	195 Å²	195	39.4 Å²	39.4	85%	0.848	23%	0.233	S	C	*	.			trans	-76.9	93.8	-178.7	-170.3	174.7	-176.9	176.3	0	110.6
126	V	93.9	Very high	95	Very high	43 Å²	43	38.9 Å²	38.9	26%	0.261	23%	0.23	S	C	.	.			trans	-109.1	-11.8	179	-62.1	0	0	0	0	113.4	C124 V132 N133 M136 Q234	C124-V126 HydrophobicContact CB-CG1 4.42Å; C124-V126 PolarHBondContact O-N 2.87Å; V126-V132 HydrophobicContact CG2-CG1 3.76Å; V126-N133 WeakPolarHBondContact CG2-OD1 3.4Å; V126-N133 PolarHBondContact N-OD1 3.34Å; V126-M136 HydrophobicContact CB-CG 4.29Å; V126-M136 HydrophobicContact CG1-CE 4.28Å; V126-M136 HydrophobicContact CG1-CG 3.82Å; V126-M136 HydrophobicContact CG1-SD 4.47Å; V126-M136 HydrophobicContact CG2-CG 3.47Å; V126-M136 VanDerWaalsContact CG2-CG 3.47Å; V126-M136 HydrophobicContact CG2-SD 4.06Å; V126-Q234 HydrophobicContact CB-CB 3.75Å; V126-Q234 HydrophobicContact CG1-CB 4.03Å; V126-Q234 HydrophobicContact CG2-CB 3.96Å
127	G	91.9	Very high	95	Very high	22 Å²	22	36.7 Å²	36.7	23%	0.227	22%	0.222	C	C	.	.	S	Bend	trans	-171.5	-163.4	177.5	0	0	0	0	0	112.9	N133 G237	G127-N133 PolarHBondContact N-OD1 3.29Å; G127-N133 PolarHBondContact O-ND2 3.46Å; G127-N133 PolarHBondContact O-OD1 3.28Å; G127-G237 CarbonylContact C-O 3.6Å
128	L	91.2	Very high	95	Very high	58 Å²	58	34.9 Å²	34.9	30%	0.304	21%	0.21	S	C	.	.	S	Bend	trans	-81.5	-25.9	-179.8	-65.9	176	0	0	0	112.8	P130 G237 F387 A395 M397	L128-P130 WeakPolarHBondContact O-CD 3.38Å; L128-G237 PolarHBondContact N-O 3.15Å; L128-F387 HydrophobicContact CB-CE1 4.16Å; L128-A395 HydrophobicContact CB-CB 4.42Å; L128-A395 HydrophobicContact CD1-CB 4.19Å; L128-A395 WeakPolarHBondContact CD1-O 3.41Å; L128-M397 HydrophobicContact CD2-CB 4.32Å; L128-M397 HydrophobicContact CD2-CE 4.03Å
129	N	92.5	Very high	95	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	20%	0.198	C	C	.	.			trans	-73.1	111.6	-178.9	-177.3	-26.5	0	0	0	110.5	K131 V132 N133 G237 Y239 I240 E242	N129-K131 VanDerWaalsContact C-N 3.26Å; N129-K131 PolarHBondContact O-N 2.97Å; N129-K131 WeakPolarHBondContact OD1-CA 3.47Å; N129-K131 VanDerWaalsContact OD1-CB 3.24Å; N129-K131 WeakPolarHBondContact OD1-CB 3.28Å; N129-K131 PolarHBondContact OD1-N 3Å; N129-V132 HydrophobicContact CB-CB 4.04Å; N129-V132 HydrophobicContact CB-CG2 3.99Å; N129-V132 PolarHBondContact O-N 3.45Å; N129-V132 PolarHBondContact OD1-N 3.35Å; N129-V132 VanDerWaalsContact OD1-N 3.14Å; N129-N133 VanDerWaalsContact O-CG 3.3Å; N129-N133 PolarHBondContact O-N 3.01Å; N129-N133 PolarHBondContact O-ND2 2.85Å; N129-G237 WeakPolarHBondContact CB-O 3.36Å; N129-G237 PolarHBondContact N-O 2.96Å; N129-Y239 WeakPolarHBondContact CB-O 3.36Å; N129-Y239 PolarHBondContact ND2-O 2.88Å; N129-I240 PolarHBondContact ND2-O 2.64Å; N129-E242 PolarHBondContact ND2-OE2 2.92Å
130	P	91.2	Very high	95	Very high	31 Å²	31	36.3 Å²	36.3	20%	0.201	21%	0.211	C	C	.	.	H	α-helix	trans	-65.6	-28.6	-179	-20.1	34.4	0	0	0	113	L128 N134 F387	L128-P130 WeakPolarHBondContact O-CD 3.38Å; P130-N134 WeakPolarHBondContact O-CB 3.17Å; P130-N134 PolarHBondContact O-N 2.81Å; P130-F387 HydrophobicContact CG-CZ 4.27Å
131	K	93.5	Very high	95	Very high	12 Å²	12	36.2 Å²	36.2	5%	0.052	22%	0.218	C	C	.	.	H	α-helix	trans	-69.8	-46	177.2	-172.1	179.6	168.2	-172.7	0	110.4	P65 N129 N134 M135 D151 G217 E242	P65-K131 HydrophobicContact CB-CG 4.38Å; P65-K131 HydrophobicContact CG-CG 4.33Å; N129-K131 VanDerWaalsContact C-N 3.26Å; N129-K131 PolarHBondContact O-N 2.97Å; N129-K131 WeakPolarHBondContact OD1-CA 3.47Å; N129-K131 VanDerWaalsContact OD1-CB 3.24Å; N129-K131 WeakPolarHBondContact OD1-CB 3.28Å; N129-K131 PolarHBondContact OD1-N 3Å; K131-N134 PolarHBondContact O-N 3.25Å; K131-M135 HydrophobicContact CD-CE 4.48Å; K131-M135 HydrophobicContact CG-CE 3.88Å; K131-M135 HydrophobicContact CG-SD 4.14Å; K131-M135 VanDerWaalsContact O-CG 3.29Å; K131-M135 WeakPolarHBondContact O-CG 3.28Å; K131-M135 PolarHBondContact O-N 3.14Å; K131-D151 WeakPolarHBondContact CE-OD1 3.23Å; K131-D151 IonicContact NZ-OD1 2.69Å; K131-D151 PolarHBondContact NZ-OD1 2.84Å; K131-G217 PolarHBondContact NZ-O 2.9Å; K131-G217 VanDerWaalsContact NZ-O 3.12Å; K131-E242 WeakPolarHBondContact CD-OE1 3.41Å; K131-E242 VanDerWaalsContact CE-OE1 3.28Å; K131-E242 WeakPolarHBondContact CE-OE1 3.36Å; K131-E242 IonicContact NZ-OE1 2.86Å; K131-E242 PolarHBondContact NZ-OE1 2.96Å
132	V	95.4	Very high	95.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-48.7	173.8	171.3	0	0	0	0	110.1	V126 N129 N134 M135 M136 M233 E242	V126-V132 HydrophobicContact CG2-CG1 3.76Å; N129-V132 HydrophobicContact CB-CB 4.04Å; N129-V132 HydrophobicContact CB-CG2 3.99Å; N129-V132 PolarHBondContact O-N 3.45Å; N129-V132 PolarHBondContact OD1-N 3.35Å; N129-V132 VanDerWaalsContact OD1-N 3.14Å; V132-N134 VanDerWaalsContact C-N 3.28Å; V132-N134 PolarHBondContact O-N 2.93Å; V132-M135 PolarHBondContact O-N 2.8Å; V132-M136 HydrophobicContact CG1-CG 4.37Å; V132-M136 HydrophobicContact CG1-SD 4.36Å; V132-M136 WeakPolarHBondContact O-CG 3.1Å; V132-M136 PolarHBondContact O-N 3.28Å; V132-M136 VanDerWaalsContact O-N 3.09Å; V132-M233 HydrophobicContact CG1-CG 4.07Å; V132-E242 HydrophobicContact CG2-CB 3.74Å; V132-E242 HydrophobicContact CG2-CG 3.98Å
133	N	95.2	Very high	95.3	Very high	21 Å²	21	38.2 Å²	38.2	11%	0.112	22%	0.217	C	C	.	.	H	α-helix	trans	-55.5	-43.8	177.8	-67.7	-19.9	0	0	0	112.1	G123 C124 V126 G127 N129	G123-N133 CarbonylContact C-O 3.59Å; G123-N133 WeakPolarHBondContact CA-O 3.3Å; C124-N133 PolarHBondContact N-O 3.29Å; C124-N133 CarbonylContact O-C 3.57Å; C124-N133 WeakPolarHBondContact O-CA 3.49Å; C124-N133 VanDerWaalsContact O-CB 3.24Å; C124-N133 WeakPolarHBondContact O-CB 3.21Å; C124-N133 PolarHBondContact O-OD1 3.01Å; V126-N133 WeakPolarHBondContact CG2-OD1 3.4Å; V126-N133 PolarHBondContact N-OD1 3.34Å; G127-N133 PolarHBondContact N-OD1 3.29Å; G127-N133 PolarHBondContact O-ND2 3.46Å; G127-N133 PolarHBondContact O-OD1 3.28Å; N129-N133 VanDerWaalsContact O-CG 3.3Å; N129-N133 PolarHBondContact O-N 3.01Å; N129-N133 PolarHBondContact O-ND2 2.85Å
134	N	95.7	Very high	95.6	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.011	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-40.9	177.4	-169.9	30	0	0	0	112.4	C93 V94 H95 P130 K131 V132 P137	C93-N134 WeakPolarHBondContact CB-O 3.46Å; C93-N134 PolarHBondContact O-ND2 3.36Å; V94-N134 PolarHBondContact N-OD1 3.41Å; V94-N134 PolarHBondContact O-OD1 2.74Å; H95-N134 PolarHBondContact N-OD1 2.93Å; P130-N134 WeakPolarHBondContact O-CB 3.17Å; P130-N134 PolarHBondContact O-N 2.81Å; K131-N134 PolarHBondContact O-N 3.25Å; V132-N134 VanDerWaalsContact C-N 3.28Å; V132-N134 PolarHBondContact O-N 2.93Å; N134-P137 WeakPolarHBondContact O-CD 3.2Å
135	M	97.3	Very high	95.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-78.2	-18.6	-175.2	-68.4	-176.5	-53	0	0	114.4	I63 P65 K131 V132 A138 Y139 I149 M233 E242	I63-M135 HydrophobicContact CG2-CB 4.02Å; I63-M135 HydrophobicContact CG2-CG 3.77Å; I63-M135 HydrophobicContact CG2-SD 4.11Å; P65-M135 HydrophobicContact CB-CG 3.8Å; P65-M135 HydrophobicContact CB-SD 4.19Å; P65-M135 HydrophobicContact CG-CG 4.05Å; P65-M135 HydrophobicContact CG-SD 3.76Å; K131-M135 HydrophobicContact CD-CE 4.48Å; K131-M135 HydrophobicContact CG-CE 3.88Å; K131-M135 HydrophobicContact CG-SD 4.14Å; K131-M135 VanDerWaalsContact O-CG 3.29Å; K131-M135 WeakPolarHBondContact O-CG 3.28Å; K131-M135 PolarHBondContact O-N 3.14Å; V132-M135 PolarHBondContact O-N 2.8Å; M135-A138 PolarHBondContact O-N 3.07Å; M135-Y139 PolarHBondContact O-N 3.01Å; M135-I149 HydrophobicContact CE-CD1 4.34Å; M135-I149 HydrophobicContact CE-CG2 4.42Å; M135-I149 HydrophobicContact SD-CD1 4.37Å; M135-I149 HydrophobicContact SD-CG2 3.6Å; M135-I149 VanDerWaalsContact SD-CG2 3.6Å; M135-M233 HydrophobicContact CB-CE 4.49Å; M135-M233 HydrophobicContact CB-SD 3.77Å; M135-M233 HydrophobicContact CE-CE 4.39Å; M135-M233 HydrophobicContact CE-SD 3.99Å; M135-E242 HydrophobicContact CE-CG 4.46Å
136	M	97.4	Very high	96	Very high	4 Å²	4	33 Å²	33	2%	0.02	19%	0.186	C	C	.	.	H	α-helix	trans	-55.3	-47	-172.5	-81.6	-53.6	-59.7	0	0	114.9	C124 V126 V132 A138 Y139 L140 M233 Q234	C124-M136 HydrophobicContact CB-CB 3.84Å; V126-M136 HydrophobicContact CB-CG 4.29Å; V126-M136 HydrophobicContact CG1-CE 4.28Å; V126-M136 HydrophobicContact CG1-CG 3.82Å; V126-M136 HydrophobicContact CG1-SD 4.47Å; V126-M136 HydrophobicContact CG2-CG 3.47Å; V126-M136 VanDerWaalsContact CG2-CG 3.47Å; V126-M136 HydrophobicContact CG2-SD 4.06Å; V132-M136 HydrophobicContact CG1-CG 4.37Å; V132-M136 HydrophobicContact CG1-SD 4.36Å; V132-M136 WeakPolarHBondContact O-CG 3.1Å; V132-M136 PolarHBondContact O-N 3.28Å; V132-M136 VanDerWaalsContact O-N 3.09Å; M136-A138 VanDerWaalsContact C-N 3.31Å; M136-A138 PolarHBondContact O-N 3.28Å; M136-Y139 HydrophobicContact CE-CD1 4.35Å; M136-Y139 WeakPolarHBondContact O-CB 3.32Å; M136-Y139 PolarHBondContact O-N 2.97Å; M136-Y139 VanDerWaalsContact O-N 3.16Å; M136-L140 HydrophobicContact CE-CD1 4.46Å; M136-L140 HydrophobicContact CE-CD2 4.49Å; M136-L140 HydrophobicContact CE-CG 4.33Å; M136-L140 WeakPolarHBondContact O-CG 3.38Å; M136-L140 PolarHBondContact O-N 2.83Å; M136-M233 HydrophobicContact SD-CB 3.76Å; M136-M233 HydrophobicContact SD-CG 3.99Å; M136-M233 HydrophobicContact SD-SD 4.23Å; M136-Q234 HydrophobicContact CE-CB 3.96Å; M136-Q234 HydrophobicContact SD-CB 4.08Å
137	P	97.9	Very high	96.3	Very high	29 Å²	29	30.9 Å²	30.9	19%	0.188	17%	0.173	C	C	.	.	H	α-helix	trans	-59.3	-41.9	178.7	-25.8	36.1	0	0	0	112.8	F120 C124 N134 L140 A141	F120-P137 HydrophobicContact CB-CB 3.97Å; F120-P137 HydrophobicContact CD1-CB 3.67Å; F120-P137 HydrophobicContact CE1-CB 4.49Å; F120-P137 HydrophobicContact CG-CB 3.99Å; C124-P137 HydrophobicContact CB-CG 4.44Å; N134-P137 WeakPolarHBondContact O-CD 3.2Å; P137-L140 PolarHBondContact O-N 2.87Å; P137-A141 WeakPolarHBondContact O-CB 3.3Å; P137-A141 PolarHBondContact O-N 3.12Å
138	A	98.3	Very high	96.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.7	-37.3	175.7	0	0	0	0	0	112.5	I63 L91 C93 F120 M135 M136 L140 A141 A142	I63-A138 HydrophobicContact CD1-CB 4.25Å; I63-A138 HydrophobicContact CG1-CB 4.13Å; I63-A138 HydrophobicContact CG2-CB 4.12Å; L91-A138 HydrophobicContact CB-CB 3.68Å; L91-A138 HydrophobicContact CD1-CB 4.1Å; L91-A138 VanDerWaalsContact CD1-O 3.3Å; L91-A138 WeakPolarHBondContact CD1-O 3.34Å; C93-A138 WeakPolarHBondContact SG-CB 3.39Å; F120-A138 HydrophobicContact CD2-CB 3.81Å; F120-A138 HydrophobicContact CE2-CB 4Å; F120-A138 HydrophobicContact CG-CB 4.49Å; M135-A138 PolarHBondContact O-N 3.07Å; M136-A138 VanDerWaalsContact C-N 3.31Å; M136-A138 PolarHBondContact O-N 3.28Å; A138-L140 VanDerWaalsContact C-N 3.31Å; A138-L140 PolarHBondContact O-N 3Å; A138-A141 PolarHBondContact O-N 3.24Å; A138-A142 PolarHBondContact O-N 2.64Å
139	Y	98.1	Very high	96.9	Very high	3 Å²	3	27.3 Å²	27.3	1%	0.012	15%	0.149	C	C	.	.	H	α-helix	trans	-60.3	-41.9	175.3	176.1	-98.4	0	0	0	112.3	M135 M136 I147 K224 L227 D228 M233	M135-Y139 PolarHBondContact O-N 3.01Å; M136-Y139 HydrophobicContact CE-CD1 4.35Å; M136-Y139 WeakPolarHBondContact O-CB 3.32Å; M136-Y139 PolarHBondContact O-N 2.97Å; M136-Y139 VanDerWaalsContact O-N 3.16Å; Y139-I147 HydrophobicContact CD2-CD1 3.43Å; Y139-I147 VanDerWaalsContact CD2-CD1 3.43Å; Y139-I147 HydrophobicContact CE2-CD1 3.57Å; Y139-K224 HydrophobicContact CE2-CG 4.14Å; Y139-L227 HydrophobicContact CE2-CB 4.33Å; Y139-L227 HydrophobicContact CE2-CD1 3.88Å; Y139-L227 WeakPolarHBondContact OH-CB 3.11Å; Y139-D228 PolarHBondContact OH-N 3.35Å; Y139-D228 PolarHBondContact OH-OD1 3.19Å; Y139-M233 HydrophobicContact CD1-CB 3.92Å; Y139-M233 HydrophobicContact CD2-CB 3.95Å; Y139-M233 HydrophobicContact CD2-CE 3.56Å; Y139-M233 HydrophobicContact CD2-SD 4.43Å; Y139-M233 HydrophobicContact CE1-CB 4.07Å; Y139-M233 HydrophobicContact CE2-CB 4.04Å; Y139-M233 HydrophobicContact CE2-CE 4.31Å; Y139-M233 HydrophobicContact CG-CB 3.86Å; Y139-M233 HydrophobicContact CG-CE 4.01Å; Y139-M233 HydrophobicContact CG-SD 4.32Å
140	L	97.7	Very high	97.1	Very high	123 Å²	123	27.2 Å²	27.2	64%	0.644	15%	0.149	S	C	*	.	H	α-helix	trans	-71.7	-33.6	178.5	-66	173.6	0	0	0	112.3	M136 P137 A138	M136-L140 HydrophobicContact CE-CD1 4.46Å; M136-L140 HydrophobicContact CE-CD2 4.49Å; M136-L140 HydrophobicContact CE-CG 4.33Å; M136-L140 WeakPolarHBondContact O-CG 3.38Å; M136-L140 PolarHBondContact O-N 2.83Å; P137-L140 PolarHBondContact O-N 2.87Å; A138-L140 VanDerWaalsContact C-N 3.31Å; A138-L140 PolarHBondContact O-N 3Å
141	A	98.1	Very high	97.2	Very high	43 Å²	43	28 Å²	28	36%	0.355	15%	0.151	S	C	.	.	H	α-helix	trans	-84.9	-9.3	179.5	0	0	0	0	0	114.3	F120 P137 A138 Q143	F120-A141 HydrophobicContact CE1-CB 3.69Å; F120-A141 HydrophobicContact CE2-CB 4.36Å; F120-A141 HydrophobicContact CZ-CB 3.36Å; P137-A141 WeakPolarHBondContact O-CB 3.3Å; P137-A141 PolarHBondContact O-N 3.12Å; A138-A141 PolarHBondContact O-N 3.24Å; A141-Q143 PolarHBondContact O-N 3.42Å
142	A	98.5	Very high	97.2	Very high	14 Å²	14	28.9 Å²	28.9	12%	0.116	16%	0.159	C	C	.	.			trans	-56.3	123.3	-178.9	0	0	0	0	0	111.4	L91 A138 I147	L91-A142 HydrophobicContact CD1-CB 4.12Å; A138-A142 PolarHBondContact O-N 2.64Å; A142-I147 HydrophobicContact CB-CD1 4.07Å; A142-I147 HydrophobicContact CB-CG1 4.3Å
143	Q	98	Very high	97.1	Very high	120 Å²	120	29.7 Å²	29.7	56%	0.561	17%	0.167	S	C	*	.			trans	-83.4	-14	-174.9	-60.4	-174.3	3.8	0	0	113.7	S61 E89 A141	S61-Q143 PolarHBondContact OG-N 2.88Å; E89-Q143 WeakPolarHBondContact OE1-CB 3.41Å; E89-Q143 PolarHBondContact OE1-N 2.77Å; E89-Q143 WeakPolarHBondContact OE2-CG 3.34Å; A141-Q143 PolarHBondContact O-N 3.42Å
144	Y	98.4	Very high	97.1	Very high	27 Å²	27	28.9 Å²	28.9	11%	0.106	16%	0.163	C	C	.	.	S	Bend	trans	-118.6	155.2	-171.2	-56.3	-59.5	0	0	0	113.1	G59 V60 S61 K87 E89 F146	G59-Y144 VanDerWaalsContact C-CB 3.5Å; G59-Y144 VanDerWaalsContact C-CG 3.45Å; G59-Y144 WeakPolarHBondContact O-CB 3.24Å; V60-Y144 WeakPolarHBondContact O-CD2 3.29Å; S61-Y144 WeakPolarHBondContact OG-CD2 3.46Å; S61-Y144 PolarHBondContact OG-N 3.31Å; K87-Y144 HydrophobicContact CD-CE1 3.94Å; K87-Y144 VanDerWaalsContact CE-CE1 3.46Å; K87-Y144 WeakPolarHBondContact CE-OH 3.11Å; K87-Y144 HydrophobicContact CG-CE1 4.12Å; E89-Y144 HydrophobicContact CB-CE2 4.22Å; E89-Y144 HydrophobicContact CG-CD2 4.07Å; E89-Y144 HydrophobicContact CG-CE2 3.86Å; Y144-F146 PolarHBondContact O-N 2.94Å
145	D	97.7	Very high	97.2	Very high	119 Å²	119	34.1 Å²	34.1	64%	0.636	18%	0.183	S	C	*	.	S	Bend	trans	-72.2	-11	-178.8	-62	-38.2	0	0	0	113.9	K224	D145-K224 WeakPolarHBondContact O-CB 3.29Å; D145-K224 PolarHBondContact O-N 3.45Å
146	F	98.6	Very high	97.1	Very high	20 Å²	20	34.5 Å²	34.5	9%	0.088	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	130.9	178.8	-61	-81.4	0	0	0	109.8	P58 V60 S61 Y144 M165 M168 L221 L222 R223	P58-F146 HydrophobicContact CB-CD2 3.83Å; P58-F146 HydrophobicContact CB-CE2 3.64Å; P58-F146 HydrophobicContact CG-CD2 3.57Å; P58-F146 HydrophobicContact CG-CE2 3.34Å; P58-F146 HydrophobicContact CG-CZ 4.21Å; V60-F146 WeakPolarHBondContact CA-O 3.49Å; V60-F146 HydrophobicContact CG1-CB 4.42Å; V60-F146 HydrophobicContact CG2-CB 4.11Å; S61-F146 PolarHBondContact N-O 3.48Å; Y144-F146 PolarHBondContact O-N 2.94Å; F146-M165 HydrophobicContact CB-SD 4.14Å; F146-M165 HydrophobicContact CD1-CE 4.1Å; F146-M165 HydrophobicContact CD1-SD 4.25Å; F146-M165 HydrophobicContact CD2-CE 4.04Å; F146-M165 HydrophobicContact CD2-SD 4.49Å; F146-M165 HydrophobicContact CE1-CE 4.18Å; F146-M165 HydrophobicContact CE2-CE 4.13Å; F146-M165 HydrophobicContact CG-CE 4.02Å; F146-M165 HydrophobicContact CG-SD 4.04Å; F146-M165 HydrophobicContact CZ-CE 4.18Å; F146-M168 HydrophobicContact CD1-CE 4.28Å; F146-M168 HydrophobicContact CD1-CG 3.95Å; F146-M168 HydrophobicContact CE1-CG 3.51Å; F146-M168 HydrophobicContact CE1-SD 4.3Å; F146-M168 HydrophobicContact CZ-CG 4.44Å; F146-L221 HydrophobicContact CB-CD1 4.2Å; F146-L222 WeakPolarHBondContact CA-O 3.24Å; F146-R223 HydrophobicContact CE1-CG 4.41Å
147	I	98.6	Very high	97	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	123.1	-178.5	-64	179.3	0	0	0	109.1	S61 I63 Y139 A142 I149 L221 L222 K224	S61-I147 CarbonylContact O-C 3.54Å; S61-I147 VanDerWaalsContact O-CA 3.27Å; S61-I147 WeakPolarHBondContact O-CA 3.37Å; I63-I147 HydrophobicContact CD1-CD1 4.43Å; I63-I147 HydrophobicContact CD1-CG2 3.55Å; I63-I147 HydrophobicContact CG1-CG2 3.87Å; Y139-I147 HydrophobicContact CD2-CD1 3.43Å; Y139-I147 VanDerWaalsContact CD2-CD1 3.43Å; Y139-I147 HydrophobicContact CE2-CD1 3.57Å; A142-I147 HydrophobicContact CB-CD1 4.07Å; A142-I147 HydrophobicContact CB-CG1 4.3Å; I147-I149 HydrophobicContact CG2-CG1 3.99Å; I147-L221 CarbonylContact O-C 3.51Å; I147-L221 WeakPolarHBondContact O-CA 3.41Å; I147-L222 PolarHBondContact N-O 3.19Å; I147-L222 PolarHBondContact O-N 3.34Å; I147-K224 HydrophobicContact CD1-CB 4.02Å; I147-K224 HydrophobicContact CD1-CD 3.76Å; I147-K224 HydrophobicContact CD1-CG 3.64Å; I147-K224 HydrophobicContact CG1-CB 4.17Å; I147-K224 HydrophobicContact CG1-CD 4.33Å; I147-K224 HydrophobicContact CG1-CG 4.29Å
148	L	98.4	Very high	96.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	113.3	167.3	174.4	61.5	0	0	0	109.1	V60 S61 I62 I63 F80 M156 L161 M164 L221	V60-L148 HydrophobicContact CG1-CB 4.06Å; S61-L148 PolarHBondContact O-N 3.26Å; I62-L148 CarbonylContact C-O 3.59Å; I62-L148 WeakPolarHBondContact CA-O 3.24Å; I62-L148 HydrophobicContact CD1-CD2 4.44Å; I62-L148 HydrophobicContact CG1-CB 4.29Å; I62-L148 HydrophobicContact CG1-CD2 4.33Å; I62-L148 HydrophobicContact CG2-CB 4.43Å; I62-L148 HydrophobicContact CG2-CD2 4.17Å; I62-L148 HydrophobicContact CG2-CG 4.32Å; I63-L148 PolarHBondContact N-O 3.3Å; F80-L148 HydrophobicContact CE1-CD2 4.36Å; L148-M156 HydrophobicContact CD2-CE 3.81Å; L148-L161 HydrophobicContact CD2-CD1 4.01Å; L148-M164 HydrophobicContact CD1-CE 3.87Å; L148-M164 HydrophobicContact CD1-SD 4.05Å; L148-L221 HydrophobicContact CB-CD1 4.16Å; L148-L221 HydrophobicContact CD1-CB 4.28Å
149	I	98	Very high	96.6	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	123.5	167.9	-57.4	176.6	0	0	0	107.7	M135 I147 S219 S220 L222 M233 F246	M135-I149 HydrophobicContact CE-CD1 4.34Å; M135-I149 HydrophobicContact CE-CG2 4.42Å; M135-I149 HydrophobicContact SD-CD1 4.37Å; M135-I149 HydrophobicContact SD-CG2 3.6Å; M135-I149 VanDerWaalsContact SD-CG2 3.6Å; I147-I149 HydrophobicContact CG2-CG1 3.99Å; I149-S219 WeakPolarHBondContact O-CA 3.37Å; I149-S220 PolarHBondContact N-O 3.44Å; I149-S220 PolarHBondContact O-N 3.47Å; I149-L222 HydrophobicContact CD1-CD1 3.69Å; I149-L222 HydrophobicContact CG1-CD1 4.26Å; I149-M233 HydrophobicContact CD1-CE 3.61Å; I149-F246 HydrophobicContact CD1-CE2 3.75Å
150	S	96.9	Very high	96.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	129.4	-178.6	-179.6	0	0	0	0	112.5	I63 K64 F80 M218	I63-S150 PolarHBondContact O-N 3.25Å; K64-S150 WeakPolarHBondContact CD-O 3.33Å; K64-S150 VanDerWaalsContact NZ-CB 3.3Å; K64-S150 PolarHBondContact NZ-O 3.01Å; K64-S150 PolarHBondContact NZ-OG 2.82Å; F80-S150 WeakPolarHBondContact CZ-OG 3.28Å; S150-M218 CarbonylContact C-O 3.47Å; S150-M218 VanDerWaalsContact CA-O 3.28Å; S150-M218 WeakPolarHBondContact CA-O 3.29Å
151	D	93.9	Very high	96.5	Very high	46 Å²	46	39.3 Å²	39.3	25%	0.246	20%	0.197	C	C	.	.			trans	-65.3	156.5	179.6	-74.9	-18	0	0	0	112.2	K64 K131 G153 L154 M218	K64-D151 PolarHBondContact NZ-O 2.89Å; K131-D151 WeakPolarHBondContact CE-OD1 3.23Å; K131-D151 IonicContact NZ-OD1 2.69Å; K131-D151 PolarHBondContact NZ-OD1 2.84Å; D151-G153 VanDerWaalsContact C-N 3.33Å; D151-G153 PolarHBondContact O-N 2.86Å; D151-L154 PolarHBondContact O-N 2.87Å; D151-M218 PolarHBondContact N-O 3.12Å
152	S	93.2	Very high	96.3	Very high	32 Å²	32	37.3 Å²	37.3	22%	0.224	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-31.8	-179.1	56.9	0	0	0	0	113.6	N76 L154	N76-S152 WeakPolarHBondContact CB-O 3.36Å; S152-L154 PolarHBondContact O-N 3.02Å
153	G	93.7	Very high	96.2	Very high	17 Å²	17	37.1 Å²	37.1	18%	0.175	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	6.3	-180	0	0	0	0	0	114.9	D151 N267	D151-G153 VanDerWaalsContact C-N 3.33Å; D151-G153 PolarHBondContact O-N 2.86Å; G153-N267 CarbonylContact O-C 3.6Å; G153-N267 PolarHBondContact O-N 3.01Å
154	L	95.4	Very high	96.1	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134.8	179.1	-75	-165.8	0	0	0	113.2	N76 D151 S152 M218 A264 L265 Q266	N76-L154 WeakPolarHBondContact CB-O 3.33Å; D151-L154 PolarHBondContact O-N 2.87Å; S152-L154 PolarHBondContact O-N 3.02Å; L154-M218 VanDerWaalsContact CD1-C 3.49Å; L154-M218 HydrophobicContact CD1-CB 4.08Å; L154-M218 WeakPolarHBondContact CD1-O 3.25Å; L154-M218 HydrophobicContact CD2-CB 4.39Å; L154-M218 HydrophobicContact CG-CB 4.48Å; L154-A264 HydrophobicContact CD1-CB 3.86Å; L154-A264 HydrophobicContact CD2-CB 4.11Å; L154-L265 WeakPolarHBondContact CA-O 3.42Å; L154-L265 WeakPolarHBondContact CD2-O 3.45Å; L154-Q266 HydrophobicContact CD2-CB 4.31Å; L154-Q266 HydrophobicContact CD2-CG 3.62Å
155	R	96.3	Very high	96	Very high	112 Å²	112	30.6 Å²	30.6	42%	0.423	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	117	163.8	-171.3	-179	175.8	79.6	0.6	109.1	T79 L265 N267	T79-R155 HydrophobicContact CG2-CG 3.62Å; R155-L265 PolarHBondContact N-O 3.31Å; R155-N267 HydrophobicContact CB-CB 4.1Å
156	M	96.1	Very high	95.9	Very high	8 Å²	8	27 Å²	27	4%	0.039	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-88.7	132.7	-179.3	-160.4	68.8	167.4	0	0	110.2	T79 F80 L83 L148 A160 L161 M164	T79-M156 WeakPolarHBondContact CB-O 3.1Å; T79-M156 PolarHBondContact OG1-N 3.05Å; F80-M156 HydrophobicContact CD1-CB 4.47Å; F80-M156 HydrophobicContact CD2-CB 4.3Å; F80-M156 HydrophobicContact CE1-CB 3.96Å; F80-M156 HydrophobicContact CE1-CG 3.99Å; F80-M156 HydrophobicContact CE1-SD 4.26Å; F80-M156 HydrophobicContact CE2-CB 3.73Å; F80-M156 HydrophobicContact CZ-CB 3.53Å; F80-M156 HydrophobicContact CZ-CG 3.99Å; F80-M156 HydrophobicContact CZ-SD 4.19Å; L83-M156 HydrophobicContact CD2-CB 4.2Å; L83-M156 HydrophobicContact CD2-CG 3.64Å; L148-M156 HydrophobicContact CD2-CE 3.81Å; M156-A160 HydrophobicContact CE-CB 3.57Å; M156-A160 HydrophobicContact CG-CB 4.1Å; M156-A160 HydrophobicContact SD-CB 3.89Å; M156-L161 HydrophobicContact CE-CB 4.42Å; M156-M164 HydrophobicContact CE-SD 3.85Å
157	K	95	Very high	95.7	Very high	69 Å²	69	26.4 Å²	26.4	30%	0.3	12%	0.124	S	C	.	.	P	Polyproline II helix	trans	-70.4	145.4	169	-72.7	-177.7	174.4	-172.7	0	109.1	Y159 A160 L265	K157-Y159 PolarHBondContact O-N 3.15Å; K157-Y159 VanDerWaalsContact O-N 3.12Å; K157-A160 HydrophobicContact CB-CB 4.12Å; K157-A160 VanDerWaalsContact O-CB 3.28Å; K157-A160 WeakPolarHBondContact O-CB 3.33Å; K157-A160 PolarHBondContact O-N 3.34Å; K157-L265 HydrophobicContact CG-CD1 4.17Å
158	E	95.1	Very high	95.6	Very high	95 Å²	95	27.2 Å²	27.2	44%	0.444	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-33.8	-172.9	60	177.9	169	0	0	114	K84	K84-E158 HydrophobicContact CG-CB 4.07Å; K84-E158 HydrophobicContact CG-CG 4.4Å; K84-E158 PolarHBondContact N-O 2.58Å
159	Y	94.1	Very high	95.5	Very high	96 Å²	96	34 Å²	34	38%	0.376	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	2.8	179	-60	-64.8	0	0	0	114.1	L50 K84 K157 L161 A162 D163	L50-Y159 HydrophobicContact CD1-CD1 3.03Å; L50-Y159 HydrophobicContact CD1-CE1 3.48Å; L50-Y159 VanDerWaalsContact CD1-CE1 3.48Å; L50-Y159 HydrophobicContact CD1-CG 3.8Å; L50-Y159 HydrophobicContact CG-CD1 4.49Å; K84-Y159 HydrophobicContact CB-CD1 3.47Å; K84-Y159 VanDerWaalsContact CB-CD1 3.47Å; K84-Y159 HydrophobicContact CB-CE1 3.32Å; K84-Y159 HydrophobicContact CG-CD1 4.07Å; K84-Y159 HydrophobicContact CG-CE1 3.58Å; K157-Y159 PolarHBondContact O-N 3.15Å; K157-Y159 VanDerWaalsContact O-N 3.12Å; Y159-L161 PolarHBondContact O-N 2.96Å; Y159-A162 PolarHBondContact O-N 3.29Å; Y159-D163 PolarHBondContact O-N 3.31Å
160	A	95.1	Very high	95.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.5	-38.2	-173	0	0	0	0	0	112.4	M156 K157 A162 D163 M164 Q262	M156-A160 HydrophobicContact CE-CB 3.57Å; M156-A160 HydrophobicContact CG-CB 4.1Å; M156-A160 HydrophobicContact SD-CB 3.89Å; K157-A160 HydrophobicContact CB-CB 4.12Å; K157-A160 VanDerWaalsContact O-CB 3.28Å; K157-A160 WeakPolarHBondContact O-CB 3.33Å; K157-A160 PolarHBondContact O-N 3.34Å; A160-A162 PolarHBondContact O-N 3.18Å; A160-D163 PolarHBondContact O-N 3.03Å; A160-M164 VanDerWaalsContact O-CG 3.28Å; A160-M164 WeakPolarHBondContact O-CG 3.33Å; A160-M164 PolarHBondContact O-N 3.47Å; A160-Q262 HydrophobicContact CB-CB 4.43Å
161	L	96.8	Very high	95.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.1	-42.5	177.8	179.7	59.5	0	0	0	111.7	V60 I62 L83 Y85 Y88 L148 M156 Y159 M164 M165	V60-L161 HydrophobicContact CB-CD1 4.28Å; V60-L161 HydrophobicContact CB-CD2 4.34Å; V60-L161 HydrophobicContact CG1-CD1 3.96Å; V60-L161 HydrophobicContact CG2-CD1 4.18Å; I62-L161 HydrophobicContact CD1-CD2 4.09Å; L83-L161 HydrophobicContact CD1-CB 4.21Å; L83-L161 HydrophobicContact CD1-CD2 3.98Å; Y85-L161 HydrophobicContact CD1-CD2 3.83Å; Y85-L161 HydrophobicContact CD1-CG 4.41Å; Y85-L161 HydrophobicContact CD2-CB 4.22Å; Y85-L161 HydrophobicContact CD2-CD2 4Å; Y85-L161 HydrophobicContact CD2-CG 3.74Å; Y85-L161 HydrophobicContact CE1-CD2 4.37Å; Y85-L161 HydrophobicContact CE2-CD2 4.49Å; Y85-L161 HydrophobicContact CE2-CG 4.06Å; Y85-L161 HydrophobicContact CG-CB 4.49Å; Y85-L161 HydrophobicContact CG-CD2 3.63Å; Y85-L161 HydrophobicContact CG-CG 3.92Å; Y88-L161 HydrophobicContact CG-CD2 4.42Å; L148-L161 HydrophobicContact CD2-CD1 4.01Å; M156-L161 HydrophobicContact CE-CB 4.42Å; Y159-L161 PolarHBondContact O-N 2.96Å; L161-M164 PolarHBondContact O-N 3.01Å; L161-M165 WeakPolarHBondContact O-CG 3.44Å; L161-M165 PolarHBondContact O-N 2.92Å
162	A	95.7	Very high	95.6	Very high	1 Å²	1	40 Å²	40	1%	0.008	20%	0.198	C	C	.	.	H	α-helix	trans	-61.2	-47.5	174.6	0	0	0	0	0	110.9	L50 F52 L57 Y85 Y159 A160 M164 M165 Y166	L50-A162 HydrophobicContact CD1-CB 4.41Å; L50-A162 HydrophobicContact CD2-CB 3.99Å; F52-A162 HydrophobicContact CE1-CB 4.27Å; F52-A162 HydrophobicContact CZ-CB 4.26Å; L57-A162 HydrophobicContact CD1-CB 4.34Å; Y85-A162 HydrophobicContact CD2-CB 4Å; Y85-A162 HydrophobicContact CE2-CB 4.47Å; Y159-A162 PolarHBondContact O-N 3.29Å; A160-A162 PolarHBondContact O-N 3.18Å; A162-M164 VanDerWaalsContact C-N 3.34Å; A162-M164 PolarHBondContact O-N 3.42Å; A162-M165 PolarHBondContact O-N 3.42Å; A162-Y166 HydrophobicContact CB-CE2 4.44Å; A162-Y166 WeakPolarHBondContact O-CD2 3.24Å; A162-Y166 PolarHBondContact O-N 2.95Å
163	D	95.3	Very high	95.8	Very high	9 Å²	9	38.5 Å²	38.5	5%	0.048	19%	0.189	C	C	.	.	H	α-helix	trans	-59.4	-42	177.3	178.6	82.3	0	0	0	112.8	Y159 A160 Y166 A167 S260 S261 Q262	Y159-D163 PolarHBondContact O-N 3.31Å; A160-D163 PolarHBondContact O-N 3.03Å; D163-Y166 PolarHBondContact O-N 3.21Å; D163-A167 PolarHBondContact O-N 2.67Å; D163-A167 VanDerWaalsContact O-N 3.1Å; D163-S260 WeakPolarHBondContact OD2-CA 3.44Å; D163-S260 WeakPolarHBondContact OD2-CB 3.44Å; D163-S260 PolarHBondContact OD2-OG 2.97Å; D163-S261 WeakPolarHBondContact OD1-CB 3.28Å; D163-S261 PolarHBondContact OD1-OG 3.23Å; D163-S261 PolarHBondContact OD2-N 3.01Å; D163-S261 PolarHBondContact OD2-OG 3.2Å; D163-Q262 HydrophobicContact CB-CG 4.36Å
164	M	96.6	Very high	96	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.6	-44.4	175.1	-71.2	-179.9	85.6	0	0	111.5	L148 M156 A160 L161 A162 Y166 A167 M168 V175 Q177 L221	L148-M164 HydrophobicContact CD1-CE 3.87Å; L148-M164 HydrophobicContact CD1-SD 4.05Å; M156-M164 HydrophobicContact CE-SD 3.85Å; A160-M164 VanDerWaalsContact O-CG 3.28Å; A160-M164 WeakPolarHBondContact O-CG 3.33Å; A160-M164 PolarHBondContact O-N 3.47Å; L161-M164 PolarHBondContact O-N 3.01Å; A162-M164 VanDerWaalsContact C-N 3.34Å; A162-M164 PolarHBondContact O-N 3.42Å; M164-Y166 PolarHBondContact O-N 3.5Å; M164-A167 WeakPolarHBondContact O-CB 3.46Å; M164-A167 PolarHBondContact O-N 2.82Å; M164-A167 VanDerWaalsContact O-N 3.09Å; M164-M168 PolarHBondContact O-N 3.3Å; M164-M168 VanDerWaalsContact O-N 3.11Å; M164-V175 HydrophobicContact CB-CG1 4.14Å; M164-V175 HydrophobicContact CE-CG1 4.42Å; M164-V175 WeakPolarHBondContact CE-O 3.39Å; M164-V175 HydrophobicContact CG-CG1 4.27Å; M164-Q177 HydrophobicContact CE-CG 3.86Å; M164-Q177 HydrophobicContact CG-CG 4.06Å; M164-Q177 HydrophobicContact SD-CG 3.69Å; M164-L221 HydrophobicContact CB-CB 4.45Å; M164-L221 HydrophobicContact CB-CD2 3.82Å; M164-L221 HydrophobicContact CE-CB 3.56Å
165	M	96.4	Very high	96.1	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.049	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-36.1	177.2	-76.1	-61.8	-38	0	0	112.8	P58 V60 Y85 F146 L161 A162 A167 M168 L221	P58-M165 HydrophobicContact CG-CE 3.33Å; V60-M165 HydrophobicContact CG2-CG 3.9Å; V60-M165 HydrophobicContact CG2-SD 3.63Å; Y85-M165 HydrophobicContact CE2-CB 4.12Å; Y85-M165 HydrophobicContact CE2-CG 3.82Å; Y85-M165 WeakPolarHBondContact OH-CG 3.41Å; F146-M165 HydrophobicContact CB-SD 4.14Å; F146-M165 HydrophobicContact CD1-CE 4.1Å; F146-M165 HydrophobicContact CD1-SD 4.25Å; F146-M165 HydrophobicContact CD2-CE 4.04Å; F146-M165 HydrophobicContact CD2-SD 4.49Å; F146-M165 HydrophobicContact CE1-CE 4.18Å; F146-M165 HydrophobicContact CE2-CE 4.13Å; F146-M165 HydrophobicContact CG-CE 4.02Å; F146-M165 HydrophobicContact CG-SD 4.04Å; F146-M165 HydrophobicContact CZ-CE 4.18Å; L161-M165 WeakPolarHBondContact O-CG 3.44Å; L161-M165 PolarHBondContact O-N 2.92Å; A162-M165 PolarHBondContact O-N 3.42Å; M165-A167 PolarHBondContact O-N 2.99Å; M165-M168 HydrophobicContact CE-CB 4.18Å; M165-M168 HydrophobicContact CE-CG 4.32Å; M165-M168 VanDerWaalsContact O-CB 3.3Å; M165-M168 WeakPolarHBondContact O-CB 3.3Å; M165-M168 PolarHBondContact O-N 3.22Å; M165-L221 HydrophobicContact CG-CD2 4.01Å; M165-L221 HydrophobicContact SD-CD1 3.96Å; M165-L221 HydrophobicContact SD-CD2 3.41Å; M165-L221 WeakPolarHBondContact SD-CD2 3.48Å; M165-L221 HydrophobicContact SD-CG 4.21Å
166	Y	94.4	Very high	96.2	Very high	45 Å²	45	32.3 Å²	32.3	18%	0.176	16%	0.16	C	C	.	.	H	α-helix	trans	-67.2	-22.5	171.8	-80.4	-61.9	0	0	0	114	L50 N55 L57 A162 D163 M164	L50-Y166 HydrophobicContact CD2-CD2 4.09Å; L50-Y166 HydrophobicContact CD2-CE2 3.36Å; N55-Y166 HydrophobicContact CB-CE1 4.5Å; L57-Y166 HydrophobicContact CD1-CE2 4.03Å; L57-Y166 HydrophobicContact CD2-CD1 4.47Å; L57-Y166 HydrophobicContact CD2-CE1 4.1Å; A162-Y166 HydrophobicContact CB-CE2 4.44Å; A162-Y166 WeakPolarHBondContact O-CD2 3.24Å; A162-Y166 PolarHBondContact O-N 2.95Å; D163-Y166 PolarHBondContact O-N 3.21Å; M164-Y166 PolarHBondContact O-N 3.5Å
167	A	94.9	Very high	96.2	Very high	7 Å²	7	32.1 Å²	32.1	6%	0.058	16%	0.159	C	C	.	.	H	α-helix	trans	-82.8	-16.8	170.6	0	0	0	0	0	112.6	D163 M164 M165 K169 V175 A258	D163-A167 PolarHBondContact O-N 2.67Å; D163-A167 VanDerWaalsContact O-N 3.1Å; M164-A167 WeakPolarHBondContact O-CB 3.46Å; M164-A167 PolarHBondContact O-N 2.82Å; M164-A167 VanDerWaalsContact O-N 3.09Å; M165-A167 PolarHBondContact O-N 2.99Å; A167-K169 VanDerWaalsContact C-N 3.31Å; A167-K169 PolarHBondContact O-N 2.88Å; A167-V175 HydrophobicContact CB-CG1 3.8Å; A167-V175 HydrophobicContact CB-CG2 4.14Å; A167-A258 HydrophobicContact CB-CB 4.29Å
168	M	96.4	Very high	96.3	Very high	17 Å²	17	28.8 Å²	28.8	8%	0.084	14%	0.144	C	C	.	.			trans	-79.2	73.9	178	-172.5	62.7	83.3	0	0	111.2	F146 M164 M165 V172 V175 L221	F146-M168 HydrophobicContact CD1-CE 4.28Å; F146-M168 HydrophobicContact CD1-CG 3.95Å; F146-M168 HydrophobicContact CE1-CG 3.51Å; F146-M168 HydrophobicContact CE1-SD 4.3Å; F146-M168 HydrophobicContact CZ-CG 4.44Å; M164-M168 PolarHBondContact O-N 3.3Å; M164-M168 VanDerWaalsContact O-N 3.11Å; M165-M168 HydrophobicContact CE-CB 4.18Å; M165-M168 HydrophobicContact CE-CG 4.32Å; M165-M168 VanDerWaalsContact O-CB 3.3Å; M165-M168 WeakPolarHBondContact O-CB 3.3Å; M165-M168 PolarHBondContact O-N 3.22Å; M168-V172 HydrophobicContact SD-CB 4.18Å; M168-V172 HydrophobicContact SD-CG1 3.85Å; M168-V175 HydrophobicContact CB-CG2 3.95Å; M168-V175 HydrophobicContact CE-CG2 3.84Å; M168-V175 HydrophobicContact SD-CG2 4.12Å; M168-L221 HydrophobicContact CB-CD2 4.22Å; M168-L221 HydrophobicContact CE-CB 4.44Å; M168-L221 HydrophobicContact CE-CD2 3.85Å; M168-L221 HydrophobicContact CE-CG 3.74Å; M168-L221 WeakPolarHBondContact CE-O 3.47Å
169	K	96.2	Very high	96.4	Very high	142 Å²	142	24.3 Å²	24.3	62%	0.617	12%	0.123	S	C	*	.			trans	-68.6	169.5	173.4	-62	-175	177.9	-173.6	0	112	A167 D171 V172 R223	A167-K169 VanDerWaalsContact C-N 3.31Å; A167-K169 PolarHBondContact O-N 2.88Å; K169-D171 WeakPolarHBondContact CB-OD1 3.21Å; K169-D171 PolarHBondContact O-N 3.45Å; K169-V172 HydrophobicContact CB-CB 4.46Å; K169-V172 HydrophobicContact CB-CG2 3.95Å; K169-V172 PolarHBondContact O-N 3.08Å; K169-R223 PolarHBondContact O-NH2 2.84Å
170	S	96.5	Very high	96.5	Very high	111 Å²	111	20 Å²	20	78%	0.776	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.6	179.1	54.1	0	0	0	0	114.5	W255	S170-W255 WeakPolarHBondContact O-CZ3 3.39Å
171	D	97.5	Very high	96.4	Very high	58 Å²	58	20.2 Å²	20.2	31%	0.31	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	7.2	176.8	66.8	-23.5	0	0	0	113.3	K169 K256	K169-D171 WeakPolarHBondContact CB-OD1 3.21Å; K169-D171 PolarHBondContact O-N 3.45Å; D171-K256 WeakPolarHBondContact O-CB 3.28Å; D171-K256 PolarHBondContact O-N 3.35Å; D171-K256 VanDerWaalsContact OD2-CD 3.29Å; D171-K256 WeakPolarHBondContact OD2-CD 3.44Å; D171-K256 VanDerWaalsContact OD2-CE 3.24Å; D171-K256 WeakPolarHBondContact OD2-CE 3.35Å; D171-K256 IonicContact OD2-NZ 2.84Å; D171-K256 PolarHBondContact OD2-NZ 2.93Å
172	V	97.8	Very high	96.3	Very high	6 Å²	6	21 Å²	21	4%	0.036	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	135.5	179.1	177.3	0	0	0	0	109.3	M168 K169 V174 V175 R223 K256 A258	M168-V172 HydrophobicContact SD-CB 4.18Å; M168-V172 HydrophobicContact SD-CG1 3.85Å; K169-V172 HydrophobicContact CB-CB 4.46Å; K169-V172 HydrophobicContact CB-CG2 3.95Å; K169-V172 PolarHBondContact O-N 3.08Å; V172-V174 WeakPolarHBondContact CG1-O 3.04Å; V172-V175 HydrophobicContact CG1-CG2 3.83Å; V172-R223 PolarHBondContact O-NE 3.19Å; V172-R223 PolarHBondContact O-NH2 3.34Å; V172-K256 WeakPolarHBondContact CA-O 3.41Å; V172-K256 HydrophobicContact CG2-CB 4.1Å; V172-A258 HydrophobicContact CG1-CB 3.85Å; V172-A258 HydrophobicContact CG2-CB 4.16Å
173	A	97.6	Very high	96.1	Very high	2 Å²	2	25 Å²	25	2%	0.017	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-24.5	176.3	0	0	0	0	0	113.1	L222 R223 V226 A250 W255 K256	A173-L222 CarbonylContact O-C 3.53Å; A173-L222 WeakPolarHBondContact O-CA 3.46Å; A173-R223 PolarHBondContact O-N 2.97Å; A173-V226 HydrophobicContact CB-CB 4.28Å; A173-V226 HydrophobicContact CB-CG1 4.11Å; A173-V226 HydrophobicContact CB-CG2 3.91Å; A173-A250 HydrophobicContact CB-CB 3.83Å; A173-W255 HydrophobicContact CB-CB 3.57Å; A173-W255 HydrophobicContact CB-CD2 3.83Å; A173-W255 HydrophobicContact CB-CE3 3.94Å; A173-W255 HydrophobicContact CB-CG 3.67Å; A173-K256 PolarHBondContact N-O 2.83Å
174	V	97.6	Very high	95.8	Very high	2 Å²	2	26.1 Å²	26.1	1%	0.012	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.3	-178.3	-176.8	0	0	0	0	109.4	V172 T176 L221 L222 A247 A250 C257 A258	V172-V174 WeakPolarHBondContact CG1-O 3.04Å; V174-T176 HydrophobicContact CG1-CG2 3.89Å; V174-L221 CarbonylContact C-O 3.53Å; V174-L221 WeakPolarHBondContact CA-O 3.28Å; V174-L222 HydrophobicContact CB-CD2 4.08Å; V174-L222 HydrophobicContact CG1-CD2 3.74Å; V174-L222 HydrophobicContact CG2-CD2 3.57Å; V174-A247 HydrophobicContact CG1-CB 4.35Å; V174-A247 HydrophobicContact CG2-CB 4.28Å; V174-A250 HydrophobicContact CG2-CB 4.16Å; V174-C257 CarbonylContact O-C 3.48Å; V174-C257 VanDerWaalsContact O-CA 3.29Å; V174-C257 WeakPolarHBondContact O-CA 3.18Å; V174-A258 PolarHBondContact O-N 2.8Å
175	V	97.3	Very high	95.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	123	166.8	-176.7	0	0	0	0	108.8	M164 A167 M168 V172 L221 A258	M164-V175 HydrophobicContact CB-CG1 4.14Å; M164-V175 HydrophobicContact CE-CG1 4.42Å; M164-V175 WeakPolarHBondContact CE-O 3.39Å; M164-V175 HydrophobicContact CG-CG1 4.27Å; A167-V175 HydrophobicContact CB-CG1 3.8Å; A167-V175 HydrophobicContact CB-CG2 4.14Å; M168-V175 HydrophobicContact CB-CG2 3.95Å; M168-V175 HydrophobicContact CE-CG2 3.84Å; M168-V175 HydrophobicContact SD-CG2 4.12Å; V172-V175 HydrophobicContact CG1-CG2 3.83Å; V175-L221 HydrophobicContact CB-CB 4.22Å; V175-L221 HydrophobicContact CB-CD2 4.32Å; V175-L221 HydrophobicContact CG2-CD2 4.43Å; V175-L221 PolarHBondContact N-O 2.98Å; V175-L221 PolarHBondContact O-N 3.49Å; V175-A258 WeakPolarHBondContact CA-O 3.19Å; V175-A258 HydrophobicContact CG2-CB 4.19Å
176	T	97.1	Very high	95.2	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	162.7	175.9	67.2	0	0	0	0	110.3	V174 Y204 H208 A258 S260	V174-T176 HydrophobicContact CG1-CG2 3.89Å; T176-Y204 WeakPolarHBondContact CB-OH 3.45Å; T176-Y204 PolarHBondContact OG1-OH 2.97Å; T176-H208 PolarHBondContact OG1-CE1 3.37Å; T176-H208 VanDerWaalsContact OG1-CE1 3.3Å; T176-H208 PolarHBondContact OG1-NE2 2.88Å; T176-H208 VanDerWaalsContact OG1-NE2 3.08Å; T176-A258 PolarHBondContact N-O 3.47Å; T176-S260 WeakPolarHBondContact O-CB 3Å; T176-S260 PolarHBondContact O-N 2.69Å
177	Q	96.8	Very high	95.2	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.014	21%	0.207	C	C	.	.			trans	-106.6	145.8	167.1	-60.6	-173.9	-94.2	0	0	109.7	M164 P179 Y204 S219 Q262 P263 A264	M164-Q177 HydrophobicContact CE-CG 3.86Å; M164-Q177 HydrophobicContact CG-CG 4.06Å; M164-Q177 HydrophobicContact SD-CG 3.69Å; Q177-P179 VanDerWaalsContact O-CD 3.31Å; Q177-P179 WeakPolarHBondContact O-CD 3.22Å; Q177-Y204 PolarHBondContact O-OH 2.9Å; Q177-S219 PolarHBondContact N-O 3.3Å; Q177-S219 VanDerWaalsContact OE1-CB 3.24Å; Q177-S219 PolarHBondContact OE1-OG 2.98Å; Q177-Q262 WeakPolarHBondContact CB-O 3.49Å; Q177-Q262 WeakPolarHBondContact CG-O 3.45Å; Q177-Q262 PolarHBondContact NE2-O 2.89Å; Q177-P263 PolarHBondContact NE2-O 2.99Å; Q177-A264 HydrophobicContact CB-CB 3.64Å
178	L	97.2	Very high	95.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.208	C	C	.	.			trans	-63	124.3	173.5	175	67.4	0	0	0	109.4	L44 F180 A201 Y204 L205 L259 P263 A264 I344	L44-L178 HydrophobicContact CD1-CD2 3.78Å; L44-L178 HydrophobicContact CD2-CB 4.49Å; L44-L178 HydrophobicContact CD2-CD2 4.33Å; L178-F180 PolarHBondContact O-N 3.44Å; L178-A201 HydrophobicContact CD1-CB 3.98Å; L178-A201 HydrophobicContact CD2-CB 4.23Å; L178-Y204 HydrophobicContact CB-CD1 4.46Å; L178-Y204 HydrophobicContact CD1-CD1 3.5Å; L178-Y204 HydrophobicContact CD1-CE1 4.33Å; L178-Y204 HydrophobicContact CD1-CG 3.82Å; L178-L205 HydrophobicContact CD2-CD2 4.4Å; L178-L259 HydrophobicContact CB-CD1 4.31Å; L178-P263 HydrophobicContact CB-CB 4.41Å; L178-P263 CarbonylContact O-C 3.53Å; L178-P263 WeakPolarHBondContact O-CA 3.28Å; L178-P263 VanDerWaalsContact O-CB 3.24Å; L178-P263 WeakPolarHBondContact O-CB 3.45Å; L178-A264 PolarHBondContact O-N 3.34Å; L178-I344 HydrophobicContact CD2-CD1 4.08Å; L178-I344 HydrophobicContact CD2-CG1 3.83Å; L178-I344 HydrophobicContact CD2-CG2 3.91Å
179	P	96.4	Very high	95	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	129.2	176.5	-28.7	41	0	0	0	112.7	Q177 F196 Y204 T216 M218	Q177-P179 VanDerWaalsContact O-CD 3.31Å; Q177-P179 WeakPolarHBondContact O-CD 3.22Å; P179-F196 HydrophobicContact CB-CD1 3.71Å; P179-F196 HydrophobicContact CB-CE1 3.8Å; P179-Y204 HydrophobicContact CG-CE2 4.49Å; P179-T216 HydrophobicContact CG-CG2 3.83Å; P179-T216 VanDerWaalsContact CG-OG1 3.22Å; P179-T216 WeakPolarHBondContact CG-OG1 3.22Å; P179-M218 HydrophobicContact CB-CE 3.33Å; P179-M218 HydrophobicContact CB-SD 3.86Å; P179-M218 HydrophobicContact CG-CE 3.23Å; P179-M218 HydrophobicContact CG-SD 4.24Å
180	F	96	Very high	94.9	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	-175	173.2	-162	-123.9	0	0	0	110.7	L178 K193 F196 P263 A264 L265 Q266 L341 I344 Q345	L178-F180 PolarHBondContact O-N 3.44Å; F180-K193 HydrophobicContact CE2-CG 4.08Å; F180-K193 HydrophobicContact CZ-CD 4.47Å; F180-K193 HydrophobicContact CZ-CG 3.84Å; F180-F196 HydrophobicContact CD2-CB 4.02Å; F180-P263 HydrophobicContact CB-CB 3.96Å; F180-A264 CarbonylContact C-O 3.54Å; F180-A264 PolarHBondContact N-O 2.91Å; F180-A264 VanDerWaalsContact O-O 3.05Å; F180-L265 HydrophobicContact CB-CD2 4.39Å; F180-L265 HydrophobicContact CD1-CD2 4.14Å; F180-Q266 VanDerWaalsContact O-CB 3.31Å; F180-Q266 WeakPolarHBondContact O-CB 3.24Å; F180-Q266 VanDerWaalsContact O-CG 3.29Å; F180-Q266 WeakPolarHBondContact O-CG 3.26Å; F180-Q266 PolarHBondContact O-N 3.42Å; F180-Q266 PolarHBondContact O-NE2 2.89Å; F180-L341 HydrophobicContact CE2-CD1 3.82Å; F180-L341 HydrophobicContact CZ-CD1 3.87Å; F180-I344 HydrophobicContact CB-CG2 4.16Å; F180-I344 HydrophobicContact CD1-CG2 3.99Å; F180-I344 HydrophobicContact CD2-CG2 3.54Å; F180-I344 HydrophobicContact CE1-CG2 4.27Å; F180-I344 HydrophobicContact CE2-CG2 3.87Å; F180-I344 HydrophobicContact CG-CG2 3.62Å; F180-I344 HydrophobicContact CZ-CG2 4.21Å; F180-Q345 HydrophobicContact CE1-CB 4.05Å; F180-Q345 HydrophobicContact CE1-CG 4.49Å; F180-Q345 HydrophobicContact CZ-CB 4.14Å
181	T	94.6	Very high	94.9	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.025	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	145.3	-176.5	61	0	0	0	0	111	E192 F196 Q266	T181-E192 HydrophobicContact CG2-CB 3.93Å; T181-F196 HydrophobicContact CG2-CD2 3.66Å; T181-F196 HydrophobicContact CG2-CE2 4.29Å; T181-F196 HydrophobicContact CG2-CG 4.47Å; T181-Q266 WeakPolarHBondContact CA-O 3.36Å
182	C	93.7	Very high	94.8	Very high	18 Å²	18	24.2 Å²	24.2	12%	0.122	13%	0.131	C	C	.	.			trans	-62.3	157	159.9	-77.2	0	0	0	0	110.8	R184 Q266 N267	C182-R184 PolarHBondContact O-N 3.38Å; C182-Q266 PolarHBondContact N-O 3.49Å; C182-N267 HydrophobicContact CB-CB 4.02Å
183	D	91	Very high	94.7	Very high	84 Å²	84	24 Å²	24	45%	0.449	13%	0.13	S	C	.	.			trans	-63.7	119.2	169.4	-68.1	-50.8	0	0	0	109.7	K193 T350	D183-K193 IonicContact OD1-NZ 3.9Å; D183-K193 PolarHBondContact OD1-NZ 2.82Å; D183-T350 HydrophobicContact CB-CG2 4.35Å; D183-T350 WeakPolarHBondContact OD1-CG2 3.02Å; D183-T350 PolarHBondContact OD1-OG1 2.9Å
184	R	89.8	Confident	94.6	Very high	33 Å²	33	24.1 Å²	24.1	13%	0.125	13%	0.13	C	C	.	.			trans	-135.6	157.4	177.4	-68.2	-177.1	-65.1	162.7	5.6	108.8	C182 A189 E192 S268 D270	C182-R184 PolarHBondContact O-N 3.38Å; R184-A189 HydrophobicContact CB-CB 3.6Å; R184-A189 WeakPolarHBondContact O-CB 3.35Å; R184-E192 IonicContact CZ-OE1 3.97Å; R184-E192 IonicContact CZ-OE2 3.88Å; R184-E192 IonicContact NH1-OE1 3.93Å; R184-E192 IonicContact NH2-OE1 3.14Å; R184-E192 PolarHBondContact NH2-OE1 3.33Å; R184-E192 VanDerWaalsContact NH2-OE1 3.14Å; R184-E192 IonicContact NH2-OE2 2.73Å; R184-E192 PolarHBondContact NH2-OE2 3.44Å; R184-S268 PolarHBondContact NH1-O 3.2Å; R184-D270 PolarHBondContact NH1-O 3.27Å
185	H	88.6	Confident	94.6	Very high	188 Å²	188	25.1 Å²	25.1	87%	0.87	13%	0.134	S	C	*	.			trans	-88.1	150.7	-178	-62.9	-77.1	0	0	0	112.4
186	G	91.8	Very high	94.5	Very high	45 Å²	45	25.1 Å²	25.1	46%	0.464	13%	0.134	S	C	.	.	S	Bend	trans	97.4	165.5	171.7	0	0	0	0	0	115.1	A188 A189 N190	G186-A188 PolarHBondContact O-N 3.5Å; G186-A189 PolarHBondContact O-N 3.26Å; G186-N190 PolarHBondContact O-N 2.95Å; G186-N190 VanDerWaalsContact O-N 3.16Å
187	F	94	Very high	94.5	Very high	75 Å²	75	25 Å²	25	33%	0.329	13%	0.133	S	C	.	.	H	α-helix	trans	-61.8	-41	-175	179.2	-103.8	0	0	0	113.2	A189 N190 L191 V273 V358 A359 Y362	F187-A189 VanDerWaalsContact C-N 3.32Å; F187-A189 PolarHBondContact O-N 3.39Å; F187-N190 PolarHBondContact O-N 2.86Å; F187-L191 WeakPolarHBondContact O-CB 3.27Å; F187-L191 PolarHBondContact O-N 3.38Å; F187-V273 HydrophobicContact CD1-CG2 3.86Å; F187-V273 HydrophobicContact CE1-CG2 4.14Å; F187-V358 HydrophobicContact CE2-CG1 3.92Å; F187-A359 HydrophobicContact CE2-CB 3.94Å; F187-Y362 HydrophobicContact CE1-CD1 4.31Å; F187-Y362 HydrophobicContact CE1-CD2 4.42Å; F187-Y362 HydrophobicContact CE1-CG 4.22Å; F187-Y362 HydrophobicContact CZ-CD1 4.24Å; F187-Y362 HydrophobicContact CZ-CD2 4.23Å; F187-Y362 AromaticContact CZ-CG 3.85Å; F187-Y362 HydrophobicContact CZ-CG 3.85Å
188	A	94.6	Very high	94.5	Very high	11 Å²	11	25 Å²	25	9%	0.091	13%	0.133	C	C	.	.	H	α-helix	trans	-60.4	-41.3	178.3	0	0	0	0	0	112	G186 L191 E192 V273	G186-A188 PolarHBondContact O-N 3.5Å; A188-L191 WeakPolarHBondContact O-CB 3.33Å; A188-L191 PolarHBondContact O-N 3.35Å; A188-E192 WeakPolarHBondContact O-CG 3.39Å; A188-E192 PolarHBondContact O-N 3.3Å; A188-V273 HydrophobicContact CB-CG2 3.91Å
189	A	93.5	Very high	94.4	Very high	3 Å²	3	25.5 Å²	25.5	3%	0.025	14%	0.137	C	C	.	.	H	α-helix	trans	-63.2	-42.9	175.1	0	0	0	0	0	111.9	R184 G186 F187 L191 E192 K193 C271	R184-A189 HydrophobicContact CB-CB 3.6Å; R184-A189 WeakPolarHBondContact O-CB 3.35Å; G186-A189 PolarHBondContact O-N 3.26Å; F187-A189 VanDerWaalsContact C-N 3.32Å; F187-A189 PolarHBondContact O-N 3.39Å; A189-L191 VanDerWaalsContact C-N 3.33Å; A189-L191 PolarHBondContact O-N 2.88Å; A189-E192 PolarHBondContact O-N 2.91Å; A189-K193 WeakPolarHBondContact O-CB 3.48Å; A189-K193 PolarHBondContact O-N 3.37Å; A189-C271 PolarHBondContact N-SG 2.89Å
190	N	94.2	Very high	94.4	Very high	15 Å²	15	26.7 Å²	26.7	8%	0.08	14%	0.143	C	C	.	.	H	α-helix	trans	-63.4	-39.6	175.8	-69.9	-20.3	0	0	0	111.8	G186 F187 K193 V194 C351 A359	G186-N190 PolarHBondContact O-N 2.95Å; G186-N190 VanDerWaalsContact O-N 3.16Å; F187-N190 PolarHBondContact O-N 2.86Å; N190-K193 PolarHBondContact O-N 2.86Å; N190-V194 WeakPolarHBondContact O-CB 3.49Å; N190-V194 WeakPolarHBondContact O-CG2 3.49Å; N190-V194 PolarHBondContact O-N 2.82Å; N190-C351 VanDerWaalsContact OD1-CB 3.23Å; N190-C351 WeakPolarHBondContact OD1-CB 3.46Å; N190-A359 HydrophobicContact CB-CB 4.27Å
191	L	95.8	Very high	94.5	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-62.7	-45.7	176.4	179.4	61.7	0	0	0	111.8	F187 A188 A189 V194 Y195 V273 F276 Y362 R363	F187-L191 WeakPolarHBondContact O-CB 3.27Å; F187-L191 PolarHBondContact O-N 3.38Å; A188-L191 WeakPolarHBondContact O-CB 3.33Å; A188-L191 PolarHBondContact O-N 3.35Å; A189-L191 VanDerWaalsContact C-N 3.33Å; A189-L191 PolarHBondContact O-N 2.88Å; L191-V194 PolarHBondContact O-N 3.47Å; L191-Y195 PolarHBondContact O-N 3.38Å; L191-V273 HydrophobicContact CD2-CG1 3.93Å; L191-V273 HydrophobicContact CD2-CG2 4.39Å; L191-F276 HydrophobicContact CD2-CD1 4.12Å; L191-F276 HydrophobicContact CG-CD1 4.06Å; L191-F276 HydrophobicContact CG-CE1 4.15Å; L191-Y362 HydrophobicContact CD1-CD1 3.79Å; L191-Y362 HydrophobicContact CD2-CD1 3.75Å; L191-Y362 HydrophobicContact CD2-CE1 3.69Å; L191-Y362 HydrophobicContact CG-CD1 4.43Å; L191-R363 HydrophobicContact CD1-CB 3.76Å; L191-R363 HydrophobicContact CD1-CG 4.48Å
192	E	95.7	Very high	94.6	Very high	9 Å²	9	26.3 Å²	26.3	4%	0.042	14%	0.141	C	C	.	.	H	α-helix	trans	-60.2	-47.3	174.4	-70.4	-171.7	-135.2	0	0	111.3	T181 R184 A188 A189 V194 Y195 F196 F276	T181-E192 HydrophobicContact CG2-CB 3.93Å; R184-E192 IonicContact CZ-OE1 3.97Å; R184-E192 IonicContact CZ-OE2 3.88Å; R184-E192 IonicContact NH1-OE1 3.93Å; R184-E192 IonicContact NH2-OE1 3.14Å; R184-E192 PolarHBondContact NH2-OE1 3.33Å; R184-E192 VanDerWaalsContact NH2-OE1 3.14Å; R184-E192 IonicContact NH2-OE2 2.73Å; R184-E192 PolarHBondContact NH2-OE2 3.44Å; A188-E192 WeakPolarHBondContact O-CG 3.39Å; A188-E192 PolarHBondContact O-N 3.3Å; A189-E192 PolarHBondContact O-N 2.91Å; E192-V194 VanDerWaalsContact C-N 3.33Å; E192-V194 PolarHBondContact O-N 3.45Å; E192-Y195 PolarHBondContact O-N 3.48Å; E192-F196 HydrophobicContact CB-CD2 4.39Å; E192-F196 WeakPolarHBondContact O-CB 3.48Å; E192-F196 VanDerWaalsContact O-CD2 3.22Å; E192-F196 WeakPolarHBondContact O-CD2 3.3Å; E192-F196 PolarHBondContact O-N 2.97Å; E192-F276 HydrophobicContact CB-CE1 4.36Å; E192-F276 HydrophobicContact CB-CE2 4.37Å; E192-F276 HydrophobicContact CB-CZ 4.22Å; E192-F276 HydrophobicContact CG-CB 4.25Å; E192-F276 HydrophobicContact CG-CD1 3.76Å; E192-F276 HydrophobicContact CG-CD2 3.56Å; E192-F276 HydrophobicContact CG-CE1 3.9Å; E192-F276 HydrophobicContact CG-CE2 3.72Å; E192-F276 HydrophobicContact CG-CG 3.58Å; E192-F276 HydrophobicContact CG-CZ 3.88Å
193	K	95.3	Very high	94.7	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.009	15%	0.148	C	C	.	.	H	α-helix	trans	-56.6	-47.1	177.5	-179.9	-179.5	-69.3	-155.9	0	111.5	F180 D183 A189 N190 G197 L341 T350	F180-K193 HydrophobicContact CE2-CG 4.08Å; F180-K193 HydrophobicContact CZ-CD 4.47Å; F180-K193 HydrophobicContact CZ-CG 3.84Å; D183-K193 IonicContact OD1-NZ 3.9Å; D183-K193 PolarHBondContact OD1-NZ 2.82Å; A189-K193 WeakPolarHBondContact O-CB 3.48Å; A189-K193 PolarHBondContact O-N 3.37Å; N190-K193 PolarHBondContact O-N 2.86Å; K193-G197 PolarHBondContact O-N 2.94Å; K193-L341 HydrophobicContact CG-CD1 3.99Å; K193-T350 PolarHBondContact NZ-OG1 3.38Å
194	V	96.2	Very high	94.9	Very high	3 Å²	3	24.1 Å²	24.1	2%	0.018	13%	0.127	C	C	.	.	H	α-helix	trans	-62.2	-49.6	178	168.5	0	0	0	0	110.5	N190 L191 E192 F196 G197 T198 L356 A359 W360	N190-V194 WeakPolarHBondContact O-CB 3.49Å; N190-V194 WeakPolarHBondContact O-CG2 3.49Å; N190-V194 PolarHBondContact O-N 2.82Å; L191-V194 PolarHBondContact O-N 3.47Å; E192-V194 VanDerWaalsContact C-N 3.33Å; E192-V194 PolarHBondContact O-N 3.45Å; V194-F196 PolarHBondContact O-N 3.29Å; V194-G197 PolarHBondContact O-N 3.48Å; V194-T198 HydrophobicContact CG1-CG2 4.38Å; V194-T198 VanDerWaalsContact O-CB 3.32Å; V194-T198 WeakPolarHBondContact O-CB 3.22Å; V194-T198 WeakPolarHBondContact O-CG2 3.32Å; V194-T198 PolarHBondContact O-N 2.87Å; V194-T198 PolarHBondContact O-OG1 3.39Å; V194-L356 HydrophobicContact CG2-CD2 3.63Å; V194-A359 HydrophobicContact CG2-CB 3.97Å; V194-W360 HydrophobicContact CG1-CB 4.1Å; V194-W360 HydrophobicContact CG1-CG 4.42Å
195	Y	96.7	Very high	95.3	Very high	23 Å²	23	22.5 Å²	22.5	9%	0.09	12%	0.121	C	C	.	.	H	α-helix	trans	-57.7	-50.9	179.2	171	-91.8	0	0	0	112.1	L191 E192 G197 T198 H200 F276 L280 W283	L191-Y195 PolarHBondContact O-N 3.38Å; E192-Y195 PolarHBondContact O-N 3.48Å; Y195-G197 PolarHBondContact O-N 2.93Å; Y195-T198 PolarHBondContact O-N 3.12Å; Y195-H200 HydrophobicContact CD1-CB 4.12Å; Y195-H200 HydrophobicContact CE1-CB 3.66Å; Y195-H200 AromaticContact CE1-CG 3.98Å; Y195-H200 WeakPolarHBondContact O-CB 3.31Å; Y195-H200 PolarHBondContact O-N 3.4Å; Y195-H200 VanDerWaalsContact O-N 3.11Å; Y195-F276 HydrophobicContact CD1-CE2 4.38Å; Y195-F276 AromaticContact CD1-CZ 3.62Å; Y195-F276 HydrophobicContact CD1-CZ 3.62Å; Y195-F276 HydrophobicContact CE1-CZ 4.43Å; Y195-F276 HydrophobicContact CG-CE1 4.23Å; Y195-F276 AromaticContact CG-CZ 3.72Å; Y195-F276 HydrophobicContact CG-CZ 3.72Å; Y195-L280 HydrophobicContact CD1-CD2 3.95Å; Y195-L280 HydrophobicContact CD2-CD1 3.96Å; Y195-L280 HydrophobicContact CD2-CD2 4.1Å; Y195-L280 HydrophobicContact CE1-CD2 3.48Å; Y195-L280 VanDerWaalsContact CE1-CD2 3.48Å; Y195-L280 HydrophobicContact CE2-CD1 4.05Å; Y195-L280 HydrophobicContact CE2-CD2 3.65Å; Y195-L280 HydrophobicContact CE2-CG 4.48Å; Y195-L280 HydrophobicContact CG-CD1 4.39Å; Y195-L280 HydrophobicContact CG-CD2 4.24Å; Y195-W283 HydrophobicContact CE1-CZ3 4.39Å
196	F	96.3	Very high	95.7	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	9%	0.085	C	C	.	.	I	π-helix	trans	-68.2	-35.2	-177.9	-77.9	-66.2	0	0	0	112.3	P179 F180 T181 E192 V194 H200 A201 M218 F276 W283	P179-F196 HydrophobicContact CB-CD1 3.71Å; P179-F196 HydrophobicContact CB-CE1 3.8Å; F180-F196 HydrophobicContact CD2-CB 4.02Å; T181-F196 HydrophobicContact CG2-CD2 3.66Å; T181-F196 HydrophobicContact CG2-CE2 4.29Å; T181-F196 HydrophobicContact CG2-CG 4.47Å; E192-F196 HydrophobicContact CB-CD2 4.39Å; E192-F196 WeakPolarHBondContact O-CB 3.48Å; E192-F196 VanDerWaalsContact O-CD2 3.22Å; E192-F196 WeakPolarHBondContact O-CD2 3.3Å; E192-F196 PolarHBondContact O-N 2.97Å; V194-F196 PolarHBondContact O-N 3.29Å; F196-H200 HydrophobicContact CD1-CB 4.43Å; F196-H200 AromaticContact CD1-CD2 3.73Å; F196-A201 WeakPolarHBondContact O-CB 3.19Å; F196-A201 PolarHBondContact O-N 3.38Å; F196-M218 HydrophobicContact CE1-CE 4.4Å; F196-F276 AromaticContact CE2-CE2 3.86Å; F196-F276 HydrophobicContact CE2-CE2 3.86Å; F196-F276 HydrophobicContact CE2-CZ 4.23Å; F196-F276 HydrophobicContact CZ-CE2 4.36Å; F196-W283 AromaticContact CE1-CH2 3.89Å; F196-W283 HydrophobicContact CE1-CH2 3.89Å; F196-W283 AromaticContact CE1-CZ3 3.76Å; F196-W283 HydrophobicContact CE1-CZ3 3.76Å; F196-W283 AromaticContact CZ-CH2 3.77Å; F196-W283 HydrophobicContact CZ-CH2 3.77Å; F196-W283 AromaticContact CZ-CZ3 3.8Å; F196-W283 HydrophobicContact CZ-CZ3 3.8Å
197	G	96.1	Very high	95.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.065	C	C	.	.	I	π-helix	trans	-85.8	-4.4	179.9	0	0	0	0	0	115.7	K193 V194 Y195 I344	K193-G197 PolarHBondContact O-N 2.94Å; V194-G197 PolarHBondContact O-N 3.48Å; Y195-G197 PolarHBondContact O-N 2.93Å; G197-I344 WeakPolarHBondContact O-CD1 3.28Å
198	T	96.6	Very high	96	Very high	2 Å²	2	9.9 Å²	9.9	1%	0.012	5%	0.053	C	C	.	.	I	π-helix	trans	-125.6	-95.9	-178.8	64	0	0	0	0	111.4	V194 Y195 H200 A201 R202 D337	V194-T198 HydrophobicContact CG1-CG2 4.38Å; V194-T198 VanDerWaalsContact O-CB 3.32Å; V194-T198 WeakPolarHBondContact O-CB 3.22Å; V194-T198 WeakPolarHBondContact O-CG2 3.32Å; V194-T198 PolarHBondContact O-N 2.87Å; V194-T198 PolarHBondContact O-OG1 3.39Å; Y195-T198 PolarHBondContact O-N 3.12Å; T198-H200 PolarHBondContact O-N 3.47Å; T198-A201 PolarHBondContact O-N 3.1Å; T198-R202 VanDerWaalsContact O-CB 3.29Å; T198-R202 WeakPolarHBondContact O-CB 3.47Å; T198-R202 PolarHBondContact O-N 3.39Å; T198-D337 HydrophobicContact CG2-CB 3.65Å
199	A	95.8	Very high	96	Very high	10 Å²	10	11.4 Å²	11.4	8%	0.083	7%	0.066	C	C	.	.	I	π-helix	trans	-51.3	-50.4	-175.9	0	0	0	0	0	113	I203	A199-I203 PolarHBondContact O-N 2.87Å
200	H	96	Very high	96.1	Very high	25 Å²	25	15.5 Å²	15.5	12%	0.116	9%	0.09	C	C	.	.	I	π-helix	trans	-67.2	-50.3	-178.4	-169.9	64.6	0	0	0	111.6	Y195 F196 T198 R202 I203 Y204	Y195-H200 HydrophobicContact CD1-CB 4.12Å; Y195-H200 HydrophobicContact CE1-CB 3.66Å; Y195-H200 AromaticContact CE1-CG 3.98Å; Y195-H200 WeakPolarHBondContact O-CB 3.31Å; Y195-H200 PolarHBondContact O-N 3.4Å; Y195-H200 VanDerWaalsContact O-N 3.11Å; F196-H200 HydrophobicContact CD1-CB 4.43Å; F196-H200 AromaticContact CD1-CD2 3.73Å; T198-H200 PolarHBondContact O-N 3.47Å; H200-R202 VanDerWaalsContact C-N 3.32Å; H200-R202 PolarHBondContact O-N 2.97Å; H200-I203 PolarHBondContact O-N 3.21Å; H200-Y204 AromaticContact NE2-CD2 3.91Å; H200-Y204 VanDerWaalsContact O-CB 3.32Å; H200-Y204 WeakPolarHBondContact O-CB 3.24Å; H200-Y204 PolarHBondContact O-N 2.78Å
201	A	97.3	Very high	96.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63	-36.5	-179.2	0	0	0	0	0	113.4	L178 F196 T198 I203 Y204 L205 L340 I344	L178-A201 HydrophobicContact CD1-CB 3.98Å; L178-A201 HydrophobicContact CD2-CB 4.23Å; F196-A201 WeakPolarHBondContact O-CB 3.19Å; F196-A201 PolarHBondContact O-N 3.38Å; T198-A201 PolarHBondContact O-N 3.1Å; A201-I203 PolarHBondContact O-N 2.81Å; A201-Y204 PolarHBondContact O-N 3.37Å; A201-L205 HydrophobicContact CB-CD1 4.35Å; A201-L205 VanDerWaalsContact O-CB 3.22Å; A201-L205 WeakPolarHBondContact O-CB 3.17Å; A201-L205 WeakPolarHBondContact O-CD1 3.36Å; A201-L205 WeakPolarHBondContact O-CG 3.41Å; A201-L205 PolarHBondContact O-N 3.23Å; A201-L340 HydrophobicContact CB-CD2 4.48Å; A201-I344 HydrophobicContact CB-CD1 3.22Å; A201-I344 HydrophobicContact CB-CG1 4.46Å
202	R	97.1	Very high	96	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-55.2	-51.8	176.6	169.7	170.4	32.6	-124.4	-14.8	111.1	V32 H33 A36 T198 H200 I206 D337 L340	V32-R202 HydrophobicContact CG1-CG 4.06Å; H33-R202 PolarHBondContact CD2-NH1 3.29Å; H33-R202 VanDerWaalsContact CD2-NH1 3.25Å; H33-R202 PolarHBondContact CE1-NH1 2.96Å; H33-R202 PolarHBondContact ND1-NH1 3.48Å; H33-R202 VanDerWaalsContact ND1-NH1 3.14Å; H33-R202 PolarHBondContact NE2-NH1 3.17Å; A36-R202 HydrophobicContact CB-CB 4.36Å; A36-R202 HydrophobicContact CB-CG 4.19Å; A36-R202 WeakPolarHBondContact CB-O 3.33Å; T198-R202 VanDerWaalsContact O-CB 3.29Å; T198-R202 WeakPolarHBondContact O-CB 3.47Å; T198-R202 PolarHBondContact O-N 3.39Å; H200-R202 VanDerWaalsContact C-N 3.32Å; H200-R202 PolarHBondContact O-N 2.97Å; R202-I206 WeakPolarHBondContact O-CG2 3.35Å; R202-I206 PolarHBondContact O-N 3.3Å; R202-D337 IonicContact CZ-OD1 3.01Å; R202-D337 IonicContact NH1-OD1 3.72Å; R202-D337 PolarHBondContact NH1-OD1 3.07Å; R202-D337 IonicContact NH2-OD1 3.77Å; R202-D337 PolarHBondContact NH2-OD1 3.16Å; R202-D337 IonicContact NH2-OD2 2.82Å; R202-L340 HydrophobicContact CB-CD2 4.02Å
203	I	95.4	Very high	95.8	Very high	56 Å²	56	21.6 Å²	21.6	29%	0.287	13%	0.13	S	C	.	.	H	α-helix	trans	-69.8	-39.5	179	-61.9	-55.8	0	0	0	111.6	Y29 V32 A199 H200 A201 I206 A207	Y29-I203 HydrophobicContact CE2-CD1 4.19Å; Y29-I203 WeakPolarHBondContact OH-CD1 3.39Å; V32-I203 HydrophobicContact CG1-CD1 4.39Å; A199-I203 PolarHBondContact O-N 2.87Å; H200-I203 PolarHBondContact O-N 3.21Å; A201-I203 PolarHBondContact O-N 2.81Å; I203-I206 VanDerWaalsContact O-CG2 3.23Å; I203-I206 WeakPolarHBondContact O-CG2 3.46Å; I203-A207 VanDerWaalsContact O-CB 3.23Å; I203-A207 WeakPolarHBondContact O-CB 3.46Å; I203-A207 PolarHBondContact O-N 2.97Å
204	Y	96.5	Very high	95.6	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.6	-45.7	-179.9	-155.3	-91.7	0	0	0	112	T176 Q177 L178 P179 H200 A201 A207 H208 C214 T216 L259	T176-Y204 WeakPolarHBondContact CB-OH 3.45Å; T176-Y204 PolarHBondContact OG1-OH 2.97Å; Q177-Y204 PolarHBondContact O-OH 2.9Å; L178-Y204 HydrophobicContact CB-CD1 4.46Å; L178-Y204 HydrophobicContact CD1-CD1 3.5Å; L178-Y204 HydrophobicContact CD1-CE1 4.33Å; L178-Y204 HydrophobicContact CD1-CG 3.82Å; P179-Y204 HydrophobicContact CG-CE2 4.49Å; H200-Y204 AromaticContact NE2-CD2 3.91Å; H200-Y204 VanDerWaalsContact O-CB 3.32Å; H200-Y204 WeakPolarHBondContact O-CB 3.24Å; H200-Y204 PolarHBondContact O-N 2.78Å; A201-Y204 PolarHBondContact O-N 3.37Å; Y204-A207 PolarHBondContact O-N 2.96Å; Y204-H208 AromaticContact CD1-CD2 3.69Å; Y204-H208 AromaticContact CE1-CD2 3.55Å; Y204-H208 AromaticContact CE1-NE2 3.42Å; Y204-H208 WeakPolarHBondContact CE1-NE2 3.23Å; Y204-H208 AromaticContact CZ-NE2 3.74Å; Y204-H208 PolarHBondContact O-CD2 3.03Å; Y204-H208 PolarHBondContact O-N 3.44Å; Y204-H208 VanDerWaalsContact O-N 3.15Å; Y204-C214 HydrophobicContact CD2-CB 4.32Å; Y204-C214 WeakPolarHBondContact CD2-SG 3.33Å; Y204-C214 HydrophobicContact CE2-CB 4.43Å; Y204-C214 WeakPolarHBondContact CE2-O 3.25Å; Y204-C214 VanDerWaalsContact CZ-O 3.32Å; Y204-C214 PolarHBondContact OH-O 3.07Å; Y204-T216 HydrophobicContact CD2-CG2 4.4Å; Y204-T216 HydrophobicContact CE2-CG2 3.7Å; Y204-L259 HydrophobicContact CD1-CD1 4.15Å; Y204-L259 HydrophobicContact CE1-CD1 3.63Å
205	L	97.8	Very high	95.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.1	-45	-179	-71.4	167.8	0	0	0	111.8	A36 Y39 L44 L178 A201 A207 H208 A209 L259 L340	A36-L205 HydrophobicContact CB-CB 4.18Å; Y39-L205 HydrophobicContact CD1-CB 4.18Å; Y39-L205 HydrophobicContact CD1-CD2 3.94Å; Y39-L205 WeakPolarHBondContact CD1-O 3.29Å; Y39-L205 HydrophobicContact CE1-CD2 4.32Å; L44-L205 HydrophobicContact CD1-CD2 4.4Å; L178-L205 HydrophobicContact CD2-CD2 4.4Å; A201-L205 HydrophobicContact CB-CD1 4.35Å; A201-L205 VanDerWaalsContact O-CB 3.22Å; A201-L205 WeakPolarHBondContact O-CB 3.17Å; A201-L205 WeakPolarHBondContact O-CD1 3.36Å; A201-L205 WeakPolarHBondContact O-CG 3.41Å; A201-L205 PolarHBondContact O-N 3.23Å; L205-A207 VanDerWaalsContact C-N 3.35Å; L205-A207 PolarHBondContact O-N 3.34Å; L205-H208 PolarHBondContact O-N 3.27Å; L205-A209 WeakPolarHBondContact O-CB 3.33Å; L205-A209 PolarHBondContact O-N 3.46Å; L205-L259 HydrophobicContact CD2-CD2 3.71Å; L205-L340 HydrophobicContact CD1-CD1 3.79Å
206	I	97	Very high	94.5	Very high	21 Å²	21	23.1 Å²	23.1	11%	0.108	14%	0.143	C	C	.	.	H	α-helix	trans	-63.7	-42.4	176.8	-171	58.6	0	0	0	111.1	V32 L35 R202 I203 H208 A209 V210	V32-I206 HydrophobicContact CG1-CB 4.16Å; V32-I206 HydrophobicContact CG1-CG1 4.25Å; V32-I206 HydrophobicContact CG1-CG2 3.84Å; L35-I206 HydrophobicContact CB-CD1 3.63Å; L35-I206 HydrophobicContact CD1-CD1 3.77Å; L35-I206 HydrophobicContact CG-CD1 4.37Å; R202-I206 WeakPolarHBondContact O-CG2 3.35Å; R202-I206 PolarHBondContact O-N 3.3Å; I203-I206 VanDerWaalsContact O-CG2 3.23Å; I203-I206 WeakPolarHBondContact O-CG2 3.46Å; I206-H208 VanDerWaalsContact C-N 3.3Å; I206-H208 PolarHBondContact O-N 2.89Å; I206-A209 HydrophobicContact CD1-CB 4.43Å; I206-A209 WeakPolarHBondContact O-CB 3.43Å; I206-A209 PolarHBondContact O-N 3.24Å; I206-V210 HydrophobicContact CD1-CG1 4.03Å; I206-V210 VanDerWaalsContact O-CG2 3.31Å; I206-V210 WeakPolarHBondContact O-CG2 3.13Å; I206-V210 PolarHBondContact O-N 3Å
207	A	95.7	Very high	93.7	Very high	6 Å²	6	23.7 Å²	23.7	5%	0.05	15%	0.149	C	C	.	.	H	α-helix	trans	-58.6	-44.7	-179.8	0	0	0	0	0	111	I203 Y204 L205 V210 G211 I212 C214	I203-A207 VanDerWaalsContact O-CB 3.23Å; I203-A207 WeakPolarHBondContact O-CB 3.46Å; I203-A207 PolarHBondContact O-N 2.97Å; Y204-A207 PolarHBondContact O-N 2.96Å; L205-A207 VanDerWaalsContact C-N 3.35Å; L205-A207 PolarHBondContact O-N 3.34Å; A207-V210 PolarHBondContact O-N 3.44Å; A207-G211 CarbonylContact O-C 3.59Å; A207-G211 PolarHBondContact O-N 3.09Å; A207-I212 CarbonylContact C-O 3.53Å; A207-I212 HydrophobicContact CB-CB 4.11Å; A207-I212 HydrophobicContact CB-CG2 4.3Å; A207-I212 PolarHBondContact O-N 3.46Å; A207-C214 HydrophobicContact CB-CB 3.48Å; A207-C214 VanDerWaalsContact CB-CB 3.48Å
208	H	96	Very high	93.4	Very high	15 Å²	15	23.9 Å²	23.9	7%	0.069	15%	0.15	C	C	.	.	H	α-helix	trans	-67.4	-35.7	173.7	-84.6	-78	0	0	0	113.7	Y39 T176 Y204 L205 I206 V210 G211 C214 L259	Y39-H208 HydrophobicContact CE1-CB 4.16Å; T176-H208 PolarHBondContact OG1-CE1 3.37Å; T176-H208 VanDerWaalsContact OG1-CE1 3.3Å; T176-H208 PolarHBondContact OG1-NE2 2.88Å; T176-H208 VanDerWaalsContact OG1-NE2 3.08Å; Y204-H208 AromaticContact CD1-CD2 3.69Å; Y204-H208 AromaticContact CE1-CD2 3.55Å; Y204-H208 AromaticContact CE1-NE2 3.42Å; Y204-H208 WeakPolarHBondContact CE1-NE2 3.23Å; Y204-H208 AromaticContact CZ-NE2 3.74Å; Y204-H208 PolarHBondContact O-CD2 3.03Å; Y204-H208 PolarHBondContact O-N 3.44Å; Y204-H208 VanDerWaalsContact O-N 3.15Å; L205-H208 PolarHBondContact O-N 3.27Å; I206-H208 VanDerWaalsContact C-N 3.3Å; I206-H208 PolarHBondContact O-N 2.89Å; H208-V210 VanDerWaalsContact C-N 3.33Å; H208-V210 PolarHBondContact O-N 3.4Å; H208-G211 PolarHBondContact O-N 2.83Å; H208-C214 PolarHBondContact NE2-O 3.47Å; H208-L259 HydrophobicContact CB-CB 4.25Å; H208-L259 HydrophobicContact CB-CD2 4.43Å
209	A	96	Very high	93.3	Very high	44 Å²	44	23.9 Å²	23.9	36%	0.364	15%	0.15	S	C	.	.	H	α-helix	trans	-63.8	-37.7	177	0	0	0	0	0	112.3	Y39 L205 I206	Y39-A209 HydrophobicContact CD1-CB 4.12Å; Y39-A209 HydrophobicContact CD2-CB 3.6Å; Y39-A209 HydrophobicContact CE1-CB 4.43Å; Y39-A209 HydrophobicContact CE2-CB 3.94Å; Y39-A209 HydrophobicContact CG-CB 3.7Å; L205-A209 WeakPolarHBondContact O-CB 3.33Å; L205-A209 PolarHBondContact O-N 3.46Å; I206-A209 HydrophobicContact CD1-CB 4.43Å; I206-A209 WeakPolarHBondContact O-CB 3.43Å; I206-A209 PolarHBondContact O-N 3.24Å
210	V	95.5	Very high	93.4	Very high	88 Å²	88	23.6 Å²	23.6	53%	0.533	15%	0.148	S	C	.	.	H	α-helix	trans	-97.4	1.8	179.3	-56.9	0	0	0	0	114.1	I206 A207 H208 I212	I206-V210 HydrophobicContact CD1-CG1 4.03Å; I206-V210 VanDerWaalsContact O-CG2 3.31Å; I206-V210 WeakPolarHBondContact O-CG2 3.13Å; I206-V210 PolarHBondContact O-N 3Å; A207-V210 PolarHBondContact O-N 3.44Å; H208-V210 VanDerWaalsContact C-N 3.33Å; H208-V210 PolarHBondContact O-N 3.4Å; V210-I212 HydrophobicContact CG2-CB 4.31Å; V210-I212 HydrophobicContact CG2-CD1 3.55Å; V210-I212 HydrophobicContact CG2-CG1 3.72Å
211	G	93.7	Very high	93.5	Very high	31 Å²	31	22.4 Å²	22.4	32%	0.32	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	22.8	176.2	0	0	0	0	0	115.5	A207 H208 K251	A207-G211 CarbonylContact O-C 3.59Å; A207-G211 PolarHBondContact O-N 3.09Å; H208-G211 PolarHBondContact O-N 2.83Å; G211-K251 PolarHBondContact O-NZ 2.87Å
212	I	93.2	Very high	93.5	Very high	106 Å²	106	22.6 Å²	22.6	54%	0.544	14%	0.143	S	C	.	.			trans	-79.2	141.5	169.5	-67.1	171.2	0	0	0	109.2	A207 V210 C214	A207-I212 CarbonylContact C-O 3.53Å; A207-I212 HydrophobicContact CB-CB 4.11Å; A207-I212 HydrophobicContact CB-CG2 4.3Å; A207-I212 PolarHBondContact O-N 3.46Å; V210-I212 HydrophobicContact CG2-CB 4.31Å; V210-I212 HydrophobicContact CG2-CD1 3.55Å; V210-I212 HydrophobicContact CG2-CG1 3.72Å; I212-C214 PolarHBondContact O-N 2.94Å
213	V	91.8	Very high	93.6	Very high	20 Å²	20	24.4 Å²	24.4	12%	0.121	15%	0.15	C	C	.	.			trans	-70.7	111.4	176.3	175.6	0	0	0	0	109.7	Y244 A247 K251	V213-Y244 HydrophobicContact CG1-CD2 4.05Å; V213-Y244 HydrophobicContact CG1-CE2 3.91Å; V213-A247 HydrophobicContact CG1-CB 3.56Å; V213-K251 HydrophobicContact CG2-CB 3.54Å; V213-K251 HydrophobicContact CG2-CD 4.26Å; V213-K251 HydrophobicContact CG2-CG 3.73Å
214	C	90.8	Very high	93.7	Very high	32 Å²	32	23.5 Å²	23.5	22%	0.216	14%	0.144	C	C	.	.			trans	-133.7	91.3	168.8	-166.3	0	0	0	0	107.1	Y204 A207 H208 I212	Y204-C214 HydrophobicContact CD2-CB 4.32Å; Y204-C214 WeakPolarHBondContact CD2-SG 3.33Å; Y204-C214 HydrophobicContact CE2-CB 4.43Å; Y204-C214 WeakPolarHBondContact CE2-O 3.25Å; Y204-C214 VanDerWaalsContact CZ-O 3.32Å; Y204-C214 PolarHBondContact OH-O 3.07Å; A207-C214 HydrophobicContact CB-CB 3.48Å; A207-C214 VanDerWaalsContact CB-CB 3.48Å; H208-C214 PolarHBondContact NE2-O 3.47Å; I212-C214 PolarHBondContact O-N 2.94Å
215	S	86.9	Confident	93.8	Very high	14 Å²	14	25.9 Å²	25.9	10%	0.098	16%	0.16	C	C	.	.			trans	-108.1	148.4	-178.7	-171.6	0	0	0	0	109.9	D243	S215-D243 WeakPolarHBondContact CB-O 3.38Å; S215-D243 PolarHBondContact OG-O 3.09Å; S215-D243 VanDerWaalsContact OG-O 3.13Å
216	T	83	Confident	93.8	Very high	14 Å²	14	26.1 Å²	26.1	9%	0.086	16%	0.162	C	C	.	.			trans	-131.7	141.6	170.9	61.8	0	0	0	0	110.8	P179 Y204 M218 S220 D243	P179-T216 HydrophobicContact CG-CG2 3.83Å; P179-T216 VanDerWaalsContact CG-OG1 3.22Å; P179-T216 WeakPolarHBondContact CG-OG1 3.22Å; Y204-T216 HydrophobicContact CD2-CG2 4.4Å; Y204-T216 HydrophobicContact CE2-CG2 3.7Å; T216-M218 HydrophobicContact CG2-CE 3.92Å; T216-M218 PolarHBondContact O-N 2.89Å; T216-S220 PolarHBondContact O-OG 3.32Å; T216-D243 WeakPolarHBondContact CA-OD2 3.29Å
217	G	80.1	Confident	93.7	Very high	11 Å²	11	25.5 Å²	25.5	11%	0.113	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	9.3	-169.6	0	0	0	0	0	114.2	K131 D243	K131-G217 PolarHBondContact NZ-O 2.9Å; K131-G217 VanDerWaalsContact NZ-O 3.12Å; G217-D243 VanDerWaalsContact CA-OD2 3.28Å; G217-D243 WeakPolarHBondContact CA-OD2 3.4Å; G217-D243 PolarHBondContact N-OD2 2.85Å
218	M	89.3	Confident	93.8	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.025	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-52.8	178.8	-77.2	174.4	-88	0	0	111.1	S150 D151 L154 P179 F196 T216 Q266 W283	S150-M218 CarbonylContact C-O 3.47Å; S150-M218 VanDerWaalsContact CA-O 3.28Å; S150-M218 WeakPolarHBondContact CA-O 3.29Å; D151-M218 PolarHBondContact N-O 3.12Å; L154-M218 VanDerWaalsContact CD1-C 3.49Å; L154-M218 HydrophobicContact CD1-CB 4.08Å; L154-M218 WeakPolarHBondContact CD1-O 3.25Å; L154-M218 HydrophobicContact CD2-CB 4.39Å; L154-M218 HydrophobicContact CG-CB 4.48Å; P179-M218 HydrophobicContact CB-CE 3.33Å; P179-M218 HydrophobicContact CB-SD 3.86Å; P179-M218 HydrophobicContact CG-CE 3.23Å; P179-M218 HydrophobicContact CG-SD 4.24Å; F196-M218 HydrophobicContact CE1-CE 4.4Å; T216-M218 HydrophobicContact CG2-CE 3.92Å; T216-M218 PolarHBondContact O-N 2.89Å; M218-Q266 HydrophobicContact SD-CG 3.79Å; M218-Q266 PolarHBondContact SD-OE1 3.3Å; M218-W283 HydrophobicContact CE-CH2 3.71Å; M218-W283 HydrophobicContact CE-CZ2 4.26Å; M218-W283 HydrophobicContact SD-CH2 4.47Å
219	S	95	Very high	93.9	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.007	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	106.2	179.9	-167.7	0	0	0	0	110.5	I149 Q177	I149-S219 WeakPolarHBondContact O-CA 3.37Å; Q177-S219 PolarHBondContact N-O 3.3Å; Q177-S219 VanDerWaalsContact OE1-CB 3.24Å; Q177-S219 PolarHBondContact OE1-OG 2.98Å
220	S	96.8	Very high	93.9	Very high	5 Å²	5	32.1 Å²	32.1	4%	0.035	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	118.7	-178.3	-71.9	0	0	0	0	110.6	I149 T216	I149-S220 PolarHBondContact N-O 3.44Å; I149-S220 PolarHBondContact O-N 3.47Å; T216-S220 PolarHBondContact O-OG 3.32Å
221	L	98.2	Very high	93.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127.3	170.8	176.3	75.1	0	0	0	108.8	V60 F146 I147 L148 M164 M165 M168 V174 V175	V60-L221 HydrophobicContact CG1-CD1 3.83Å; F146-L221 HydrophobicContact CB-CD1 4.2Å; I147-L221 CarbonylContact O-C 3.51Å; I147-L221 WeakPolarHBondContact O-CA 3.41Å; L148-L221 HydrophobicContact CB-CD1 4.16Å; L148-L221 HydrophobicContact CD1-CB 4.28Å; M164-L221 HydrophobicContact CB-CB 4.45Å; M164-L221 HydrophobicContact CB-CD2 3.82Å; M164-L221 HydrophobicContact CE-CB 3.56Å; M165-L221 HydrophobicContact CG-CD2 4.01Å; M165-L221 HydrophobicContact SD-CD1 3.96Å; M165-L221 HydrophobicContact SD-CD2 3.41Å; M165-L221 WeakPolarHBondContact SD-CD2 3.48Å; M165-L221 HydrophobicContact SD-CG 4.21Å; M168-L221 HydrophobicContact CB-CD2 4.22Å; M168-L221 HydrophobicContact CE-CB 4.44Å; M168-L221 HydrophobicContact CE-CD2 3.85Å; M168-L221 HydrophobicContact CE-CG 3.74Å; M168-L221 WeakPolarHBondContact CE-O 3.47Å; V174-L221 CarbonylContact C-O 3.53Å; V174-L221 WeakPolarHBondContact CA-O 3.28Å; V175-L221 HydrophobicContact CB-CB 4.22Å; V175-L221 HydrophobicContact CB-CD2 4.32Å; V175-L221 HydrophobicContact CG2-CD2 4.43Å; V175-L221 PolarHBondContact N-O 2.98Å; V175-L221 PolarHBondContact O-N 3.49Å
222	L	98.1	Very high	94.1	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.016	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	142.2	-170.3	-56.9	170.7	0	0	0	109.7	F146 I147 I149 A173 V174 K224 L227 F246	F146-L222 WeakPolarHBondContact CA-O 3.24Å; I147-L222 PolarHBondContact N-O 3.19Å; I147-L222 PolarHBondContact O-N 3.34Å; I149-L222 HydrophobicContact CD1-CD1 3.69Å; I149-L222 HydrophobicContact CG1-CD1 4.26Å; A173-L222 CarbonylContact O-C 3.53Å; A173-L222 WeakPolarHBondContact O-CA 3.46Å; V174-L222 HydrophobicContact CB-CD2 4.08Å; V174-L222 HydrophobicContact CG1-CD2 3.74Å; V174-L222 HydrophobicContact CG2-CD2 3.57Å; L222-K224 PolarHBondContact O-N 3.42Å; L222-L227 HydrophobicContact CB-CD1 4.27Å; L222-L227 HydrophobicContact CD1-CD1 3.85Å; L222-F246 HydrophobicContact CD1-CD2 3.63Å; L222-F246 HydrophobicContact CD1-CE2 4.05Å; L222-F246 HydrophobicContact CD1-CG 4.31Å; L222-F246 HydrophobicContact CD2-CB 4.33Å
223	R	98.2	Very high	94.2	Very high	41 Å²	41	23.7 Å²	23.7	16%	0.155	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	113.8	164	-170.1	179	-57.1	-78.4	-3.9	108.3	F146 K169 V172 A173 S225 V226	F146-R223 HydrophobicContact CE1-CG 4.41Å; K169-R223 PolarHBondContact O-NH2 2.84Å; V172-R223 PolarHBondContact O-NE 3.19Å; V172-R223 PolarHBondContact O-NH2 3.34Å; A173-R223 PolarHBondContact O-N 2.97Å; R223-S225 VanDerWaalsContact C-N 3.29Å; R223-S225 WeakPolarHBondContact CD-OG 3.28Å; R223-S225 WeakPolarHBondContact CG-OG 3.5Å; R223-S225 PolarHBondContact O-N 2.76Å; R223-V226 HydrophobicContact CB-CG2 4.01Å; R223-V226 HydrophobicContact CG-CG2 4.12Å; R223-V226 PolarHBondContact O-N 2.88Å; R223-V226 VanDerWaalsContact O-N 3.16Å
224	K	98.2	Very high	94.5	Very high	36 Å²	36	27.7 Å²	27.7	16%	0.157	16%	0.161	C	C	.	.	H	α-helix	trans	-58.4	-41.2	-175.7	-172	-178.6	-179.5	-71.9	0	111.8	Y139 D145 I147 L222 V226 L227 D228	Y139-K224 HydrophobicContact CE2-CG 4.14Å; D145-K224 WeakPolarHBondContact O-CB 3.29Å; D145-K224 PolarHBondContact O-N 3.45Å; I147-K224 HydrophobicContact CD1-CB 4.02Å; I147-K224 HydrophobicContact CD1-CD 3.76Å; I147-K224 HydrophobicContact CD1-CG 3.64Å; I147-K224 HydrophobicContact CG1-CB 4.17Å; I147-K224 HydrophobicContact CG1-CD 4.33Å; I147-K224 HydrophobicContact CG1-CG 4.29Å; L222-K224 PolarHBondContact O-N 3.42Å; K224-V226 PolarHBondContact O-N 2.91Å; K224-L227 WeakPolarHBondContact O-CB 3.47Å; K224-L227 PolarHBondContact O-N 3.27Å; K224-D228 IonicContact NZ-OD1 3.51Å; K224-D228 PolarHBondContact NZ-OD1 3.34Å; K224-D228 IonicContact NZ-OD2 3.19Å; K224-D228 PolarHBondContact NZ-OD2 2.89Å; K224-D228 PolarHBondContact O-N 2.99Å
225	S	97.9	Very high	94.7	Very high	50 Å²	50	28.2 Å²	28.2	35%	0.35	17%	0.168	S	C	.	.	H	α-helix	trans	-56.1	-36.6	179.1	70	0	0	0	0	113.1	R223 D228 E229	R223-S225 VanDerWaalsContact C-N 3.29Å; R223-S225 WeakPolarHBondContact CD-OG 3.28Å; R223-S225 WeakPolarHBondContact CG-OG 3.5Å; R223-S225 PolarHBondContact O-N 2.76Å; S225-D228 PolarHBondContact O-N 3.07Å; S225-E229 WeakPolarHBondContact O-CB 3.01Å; S225-E229 VanDerWaalsContact O-CG 3.24Å; S225-E229 WeakPolarHBondContact O-CG 3.48Å; S225-E229 PolarHBondContact O-N 3.42Å
226	V	97.7	Very high	95.2	Very high	6 Å²	6	28 Å²	28	4%	0.036	17%	0.165	C	C	.	.	H	α-helix	trans	-70.1	-36	-179.7	178.8	0	0	0	0	111.3	A173 R223 K224 A230 A250 R253 W255	A173-V226 HydrophobicContact CB-CB 4.28Å; A173-V226 HydrophobicContact CB-CG1 4.11Å; A173-V226 HydrophobicContact CB-CG2 3.91Å; R223-V226 HydrophobicContact CB-CG2 4.01Å; R223-V226 HydrophobicContact CG-CG2 4.12Å; R223-V226 PolarHBondContact O-N 2.88Å; R223-V226 VanDerWaalsContact O-N 3.16Å; K224-V226 PolarHBondContact O-N 2.91Å; V226-A230 PolarHBondContact O-N 3.47Å; V226-A250 HydrophobicContact CG1-CB 4Å; V226-R253 PolarHBondContact O-NH1 2.78Å; V226-R253 VanDerWaalsContact O-NH1 3.16Å; V226-W255 HydrophobicContact CG2-CD2 4.12Å; V226-W255 HydrophobicContact CG2-CG 4.49Å; V226-W255 HydrophobicContact CG2-CH2 4.48Å; V226-W255 HydrophobicContact CG2-CZ2 3.85Å
227	L	96.8	Very high	95.8	Very high	7 Å²	7	27.3 Å²	27.3	4%	0.037	16%	0.161	C	C	.	.	H	α-helix	trans	-69	-43.7	171.4	-69.6	177.7	0	0	0	111.2	Y139 L222 K224 E229 A230 G232 F236 F246	Y139-L227 HydrophobicContact CE2-CB 4.33Å; Y139-L227 HydrophobicContact CE2-CD1 3.88Å; Y139-L227 WeakPolarHBondContact OH-CB 3.11Å; L222-L227 HydrophobicContact CB-CD1 4.27Å; L222-L227 HydrophobicContact CD1-CD1 3.85Å; K224-L227 WeakPolarHBondContact O-CB 3.47Å; K224-L227 PolarHBondContact O-N 3.27Å; L227-E229 PolarHBondContact O-N 2.98Å; L227-A230 WeakPolarHBondContact O-CA 3.48Å; L227-A230 VanDerWaalsContact O-CB 3.32Å; L227-A230 WeakPolarHBondContact O-CB 3.33Å; L227-A230 PolarHBondContact O-N 3.29Å; L227-G232 WeakPolarHBondContact O-CA 3.12Å; L227-G232 PolarHBondContact O-N 2.91Å; L227-F236 HydrophobicContact CD2-CD2 4.49Å; L227-F236 HydrophobicContact CD2-CE2 3.9Å; L227-F236 HydrophobicContact CD2-CZ 4.39Å; L227-F246 HydrophobicContact CD2-CB 4.12Å; L227-F246 HydrophobicContact CD2-CD1 3.39Å; L227-F246 HydrophobicContact CD2-CE1 3.9Å; L227-F246 HydrophobicContact CD2-CG 3.81Å
228	D	97.5	Very high	96.4	Very high	68 Å²	68	33.3 Å²	33.3	36%	0.364	18%	0.18	S	C	.	.	H	α-helix	trans	-59.9	-44.3	178.4	-73.7	-28.3	0	0	0	111.4	Y139 K224 S225 A230 G231 G232	Y139-D228 PolarHBondContact OH-N 3.35Å; Y139-D228 PolarHBondContact OH-OD1 3.19Å; K224-D228 IonicContact NZ-OD1 3.51Å; K224-D228 PolarHBondContact NZ-OD1 3.34Å; K224-D228 IonicContact NZ-OD2 3.19Å; K224-D228 PolarHBondContact NZ-OD2 2.89Å; K224-D228 PolarHBondContact O-N 2.99Å; S225-D228 PolarHBondContact O-N 3.07Å; D228-A230 PolarHBondContact O-N 2.95Å; D228-A230 VanDerWaalsContact O-N 3.11Å; D228-G231 PolarHBondContact O-N 3.39Å; D228-G232 PolarHBondContact O-N 3.37Å
229	E	96.9	Very high	96.6	Very high	115 Å²	115	34.4 Å²	34.4	54%	0.537	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.7	172.5	-74	165.2	-156.3	0	0	113	S225 L227 G231 R253	S225-E229 WeakPolarHBondContact O-CB 3.01Å; S225-E229 VanDerWaalsContact O-CG 3.24Å; S225-E229 WeakPolarHBondContact O-CG 3.48Å; S225-E229 PolarHBondContact O-N 3.42Å; L227-E229 PolarHBondContact O-N 2.98Å; E229-G231 VanDerWaalsContact C-N 3.28Å; E229-R253 VanDerWaalsContact CB-NH1 3.28Å; E229-R253 PolarHBondContact O-NH1 2.94Å; E229-R253 PolarHBondContact O-NH2 3.47Å
230	A	95.9	Very high	96.5	Very high	21 Å²	21	34.5 Å²	34.5	17%	0.174	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	5.6	175.6	0	0	0	0	0	113.7	V226 L227 D228 A235 F236 R253	V226-A230 PolarHBondContact O-N 3.47Å; L227-A230 WeakPolarHBondContact O-CA 3.48Å; L227-A230 VanDerWaalsContact O-CB 3.32Å; L227-A230 WeakPolarHBondContact O-CB 3.33Å; L227-A230 PolarHBondContact O-N 3.29Å; D228-A230 PolarHBondContact O-N 2.95Å; D228-A230 VanDerWaalsContact O-N 3.11Å; A230-A235 WeakPolarHBondContact O-CB 3.48Å; A230-F236 HydrophobicContact CB-CE2 3.82Å; A230-F236 HydrophobicContact CB-CZ 3.81Å; A230-R253 VanDerWaalsContact CA-NH2 3.28Å
231	G	96.8	Very high	96.3	Very high	42 Å²	42	34.7 Å²	34.7	43%	0.433	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	14.7	-171.3	0	0	0	0	0	113.2	D228 E229 Q234	D228-G231 PolarHBondContact O-N 3.39Å; E229-G231 VanDerWaalsContact C-N 3.28Å; G231-Q234 VanDerWaalsContact O-CG 3.23Å; G231-Q234 WeakPolarHBondContact O-CG 3.3Å; G231-Q234 PolarHBondContact O-NE2 2.91Å
232	G	96.6	Very high	96.1	Very high	6 Å²	6	35 Å²	35	6%	0.062	19%	0.188	C	C	.	.			trans	79.3	178.5	-177.1	0	0	0	0	0	113.6	L227 D228 Q234 A235	L227-G232 WeakPolarHBondContact O-CA 3.12Å; L227-G232 PolarHBondContact O-N 2.91Å; D228-G232 PolarHBondContact O-N 3.37Å; G232-Q234 PolarHBondContact O-N 3.08Å; G232-Q234 VanDerWaalsContact O-N 3.13Å; G232-A235 WeakPolarHBondContact O-CB 3.46Å; G232-A235 PolarHBondContact O-N 3.38Å; G232-A235 VanDerWaalsContact O-N 3.09Å
233	M	96.4	Very high	95.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-55.6	-31.6	179.5	-178.1	-178	-72.6	0	0	113.1	I63 V132 M135 M136 Y139 I149 A235 F236 F246	I63-M233 HydrophobicContact CD1-CE 4.45Å; V132-M233 HydrophobicContact CG1-CG 4.07Å; M135-M233 HydrophobicContact CB-CE 4.49Å; M135-M233 HydrophobicContact CB-SD 3.77Å; M135-M233 HydrophobicContact CE-CE 4.39Å; M135-M233 HydrophobicContact CE-SD 3.99Å; M136-M233 HydrophobicContact SD-CB 3.76Å; M136-M233 HydrophobicContact SD-CG 3.99Å; M136-M233 HydrophobicContact SD-SD 4.23Å; Y139-M233 HydrophobicContact CD1-CB 3.92Å; Y139-M233 HydrophobicContact CD2-CB 3.95Å; Y139-M233 HydrophobicContact CD2-CE 3.56Å; Y139-M233 HydrophobicContact CD2-SD 4.43Å; Y139-M233 HydrophobicContact CE1-CB 4.07Å; Y139-M233 HydrophobicContact CE2-CB 4.04Å; Y139-M233 HydrophobicContact CE2-CE 4.31Å; Y139-M233 HydrophobicContact CG-CB 3.86Å; Y139-M233 HydrophobicContact CG-CE 4.01Å; Y139-M233 HydrophobicContact CG-SD 4.32Å; I149-M233 HydrophobicContact CD1-CE 3.61Å; M233-A235 PolarHBondContact O-N 3.43Å; M233-F236 PolarHBondContact O-N 3.04Å; M233-F236 VanDerWaalsContact O-N 3.09Å; M233-F246 HydrophobicContact CE-CZ 4.44Å; M233-F246 HydrophobicContact CG-CE1 4.32Å; M233-F246 HydrophobicContact CG-CZ 3.92Å
234	Q	96.8	Very high	95.8	Very high	105 Å²	105	35.7 Å²	35.7	49%	0.491	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-58	-30.9	177.5	60.6	-179.9	4	0	0	114.2	V126 M136 G231 G232 F236 G237	V126-Q234 HydrophobicContact CB-CB 3.75Å; V126-Q234 HydrophobicContact CG1-CB 4.03Å; V126-Q234 HydrophobicContact CG2-CB 3.96Å; M136-Q234 HydrophobicContact CE-CB 3.96Å; M136-Q234 HydrophobicContact SD-CB 4.08Å; G231-Q234 VanDerWaalsContact O-CG 3.23Å; G231-Q234 WeakPolarHBondContact O-CG 3.3Å; G231-Q234 PolarHBondContact O-NE2 2.91Å; G232-Q234 PolarHBondContact O-N 3.08Å; G232-Q234 VanDerWaalsContact O-N 3.13Å; Q234-F236 PolarHBondContact O-N 3.37Å; Q234-G237 PolarHBondContact O-N 3.11Å
235	A	96.5	Very high	95.7	Very high	43 Å²	43	35.1 Å²	35.1	36%	0.355	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-61.5	-18.6	179	0	0	0	0	0	112.6	A230 G232 M233	A230-A235 WeakPolarHBondContact O-CB 3.48Å; G232-A235 WeakPolarHBondContact O-CB 3.46Å; G232-A235 PolarHBondContact O-N 3.38Å; G232-A235 VanDerWaalsContact O-N 3.09Å; M233-A235 PolarHBondContact O-N 3.43Å
236	F	96.4	Very high	95.7	Very high	8 Å²	8	33 Å²	33	4%	0.035	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-101	0.6	179.2	-55.6	-88.7	0	0	0	113.1	L227 A230 M233 Q234 R238 Y239 F245 F246 N249	L227-F236 HydrophobicContact CD2-CD2 4.49Å; L227-F236 HydrophobicContact CD2-CE2 3.9Å; L227-F236 HydrophobicContact CD2-CZ 4.39Å; A230-F236 HydrophobicContact CB-CE2 3.82Å; A230-F236 HydrophobicContact CB-CZ 3.81Å; M233-F236 PolarHBondContact O-N 3.04Å; M233-F236 VanDerWaalsContact O-N 3.09Å; Q234-F236 PolarHBondContact O-N 3.37Å; F236-R238 PolarHBondContact O-N 3.49Å; F236-Y239 HydrophobicContact CB-CD2 4.24Å; F236-Y239 HydrophobicContact CD1-CD2 4.21Å; F236-Y239 HydrophobicContact CD1-CE2 4.25Å; F236-Y239 PolarHBondContact O-N 3.22Å; F236-F245 HydrophobicContact CD1-CB 3.74Å; F236-F245 HydrophobicContact CE1-CB 4.18Å; F236-F245 VanDerWaalsContact CE1-O 3.29Å; F236-F245 WeakPolarHBondContact CE1-O 3.45Å; F236-F246 HydrophobicContact CB-CD1 4.1Å; F236-F246 HydrophobicContact CB-CE1 3.56Å; F236-F246 HydrophobicContact CB-CZ 4.47Å; F236-F246 AromaticContact CD1-CD1 3.81Å; F236-F246 HydrophobicContact CD1-CD1 3.81Å; F236-F246 HydrophobicContact CD1-CE1 4.15Å; F236-F246 AromaticContact CD2-CD1 3.58Å; F236-F246 HydrophobicContact CD2-CD1 3.58Å; F236-F246 AromaticContact CD2-CE1 3.4Å; F236-F246 HydrophobicContact CD2-CE1 3.4Å; F236-F246 HydrophobicContact CE1-CD1 4.08Å; F236-F246 AromaticContact CE2-CD1 3.85Å; F236-F246 HydrophobicContact CE2-CD1 3.85Å; F236-F246 HydrophobicContact CE2-CE1 4.09Å; F236-F246 AromaticContact CG-CD1 3.53Å; F236-F246 HydrophobicContact CG-CD1 3.53Å; F236-F246 AromaticContact CG-CE1 3.42Å; F236-F246 HydrophobicContact CG-CE1 3.42Å; F236-F246 VanDerWaalsContact CG-CE1 3.42Å; F236-F246 HydrophobicContact CZ-CD1 4.09Å; F236-N249 HydrophobicContact CE1-CB 3.71Å; F236-N249 HydrophobicContact CZ-CB 3.74Å
237	G	94.9	Very high	95.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.01	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-13.2	-179.1	0	0	0	0	0	114.6	G127 L128 N129 Q234	G127-G237 CarbonylContact C-O 3.6Å; L128-G237 PolarHBondContact N-O 3.15Å; N129-G237 WeakPolarHBondContact CB-O 3.36Å; N129-G237 PolarHBondContact N-O 2.96Å; Q234-G237 PolarHBondContact O-N 3.11Å
238	R	93.6	Very high	95.6	Very high	136 Å²	136	33.6 Å²	33.6	51%	0.513	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-9.8	174.1	69	179.9	-176.8	-172.2	2.1	114.7	F236 A395	F236-R238 PolarHBondContact O-N 3.49Å; R238-A395 WeakPolarHBondContact O-CB 3.36Å; R238-A395 PolarHBondContact O-N 3.41Å
239	Y	93.9	Very high	95.6	Very high	29 Å²	29	32.2 Å²	32.2	11%	0.114	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-107.8	131.1	-177	-55.2	-67.2	0	0	0	110.5	N129 F236 A241 F245 G393 V394	N129-Y239 WeakPolarHBondContact CB-O 3.36Å; N129-Y239 PolarHBondContact ND2-O 2.88Å; F236-Y239 HydrophobicContact CB-CD2 4.24Å; F236-Y239 HydrophobicContact CD1-CD2 4.21Å; F236-Y239 HydrophobicContact CD1-CE2 4.25Å; F236-Y239 PolarHBondContact O-N 3.22Å; Y239-A241 VanDerWaalsContact C-N 3.34Å; Y239-F245 HydrophobicContact CD1-CD1 4.17Å; Y239-F245 AromaticContact CD1-CD2 3.59Å; Y239-F245 HydrophobicContact CD1-CD2 3.59Å; Y239-F245 HydrophobicContact CD1-CE1 4.02Å; Y239-F245 AromaticContact CD1-CE2 3.42Å; Y239-F245 HydrophobicContact CD1-CE2 3.42Å; Y239-F245 VanDerWaalsContact CD1-CE2 3.42Å; Y239-F245 AromaticContact CD1-CG 3.98Å; Y239-F245 HydrophobicContact CD1-CG 3.98Å; Y239-F245 AromaticContact CD1-CZ 3.67Å; Y239-F245 HydrophobicContact CD1-CZ 3.67Å; Y239-F245 HydrophobicContact CD2-CB 3.76Å; Y239-F245 HydrophobicContact CD2-CD1 4.19Å; Y239-F245 AromaticContact CD2-CD2 3.78Å; Y239-F245 HydrophobicContact CD2-CD2 3.78Å; Y239-F245 HydrophobicContact CD2-CE2 4.46Å; Y239-F245 AromaticContact CD2-CG 3.63Å; Y239-F245 HydrophobicContact CD2-CG 3.63Å; Y239-F245 AromaticContact CE1-CD1 3.96Å; Y239-F245 HydrophobicContact CE1-CD1 3.96Å; Y239-F245 HydrophobicContact CE1-CD2 4.22Å; Y239-F245 AromaticContact CE1-CE1 3.74Å; Y239-F245 HydrophobicContact CE1-CE1 3.74Å; Y239-F245 HydrophobicContact CE1-CE2 4.02Å; Y239-F245 HydrophobicContact CE1-CG 4.2Å; Y239-F245 AromaticContact CE1-CZ 3.79Å; Y239-F245 HydrophobicContact CE1-CZ 3.79Å; Y239-F245 HydrophobicContact CE2-CB 4.05Å; Y239-F245 AromaticContact CE2-CD1 3.97Å; Y239-F245 HydrophobicContact CE2-CD1 3.97Å; Y239-F245 HydrophobicContact CE2-CD2 4.38Å; Y239-F245 AromaticContact CE2-CG 3.87Å; Y239-F245 HydrophobicContact CE2-CG 3.87Å; Y239-F245 HydrophobicContact CG-CB 4.22Å; Y239-F245 HydrophobicContact CG-CD1 4.27Å; Y239-F245 AromaticContact CG-CD2 3.32Å; Y239-F245 HydrophobicContact CG-CD2 3.32Å; Y239-F245 AromaticContact CG-CE2 3.67Å; Y239-F245 HydrophobicContact CG-CE2 3.67Å; Y239-F245 AromaticContact CG-CG 3.67Å; Y239-F245 HydrophobicContact CG-CG 3.67Å; Y239-F245 HydrophobicContact CG-CZ 4.28Å; Y239-F245 AromaticContact CZ-CD1 3.82Å; Y239-G393 WeakPolarHBondContact CD1-O 3.3Å; Y239-V394 HydrophobicContact CD1-CG2 4.31Å; Y239-V394 HydrophobicContact CE1-CG2 3.75Å
240	I	91.7	Very high	95.6	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.015	15%	0.149	C	C	.	.	S	Bend	trans	-69.5	-33.4	173.8	-61.5	-55.8	0	0	0	111.7	N129 E242 L286 W382 F387 L389 A395	N129-I240 PolarHBondContact ND2-O 2.64Å; I240-E242 PolarHBondContact O-N 3.12Å; I240-E242 VanDerWaalsContact O-OE2 3.12Å; I240-L286 HydrophobicContact CB-CD2 3.78Å; I240-L286 HydrophobicContact CG2-CD2 3.77Å; I240-W382 HydrophobicContact CG2-CD2 4.39Å; I240-W382 HydrophobicContact CG2-CE3 3.66Å; I240-W382 HydrophobicContact CG2-CH2 4.5Å; I240-W382 HydrophobicContact CG2-CZ3 3.72Å; I240-F387 HydrophobicContact CD1-CD1 4.16Å; I240-F387 HydrophobicContact CD1-CD2 4.08Å; I240-F387 HydrophobicContact CD1-CE1 4.4Å; I240-F387 HydrophobicContact CD1-CE2 4.34Å; I240-F387 HydrophobicContact CD1-CG 3.98Å; I240-F387 HydrophobicContact CD1-CZ 4.48Å; I240-L389 HydrophobicContact CB-CD2 4.4Å; I240-L389 HydrophobicContact CG1-CD2 3.96Å; I240-A395 HydrophobicContact CD1-CB 3.95Å; I240-A395 HydrophobicContact CG1-CB 3.8Å
241	A	93.3	Very high	95.6	Very high	9 Å²	9	30.1 Å²	30.1	7%	0.074	16%	0.159	C	C	.	.			trans	-95.6	65.5	175.5	0	0	0	0	0	110.7	Y239 D243 Y244 F245 L286 M290	Y239-A241 VanDerWaalsContact C-N 3.34Å; A241-D243 VanDerWaalsContact CA-OD1 3.24Å; A241-D243 WeakPolarHBondContact CA-OD1 3.46Å; A241-D243 PolarHBondContact O-N 3.38Å; A241-Y244 PolarHBondContact O-N 3.23Å; A241-F245 VanDerWaalsContact O-CD2 3.26Å; A241-F245 WeakPolarHBondContact O-CD2 3.41Å; A241-F245 PolarHBondContact O-N 3.2Å; A241-L286 HydrophobicContact CB-CD2 4.19Å; A241-M290 HydrophobicContact CB-SD 3.53Å; A241-M290 VanDerWaalsContact CB-SD 3.53Å
242	E	94.5	Very high	95.6	Very high	5 Å²	5	32.5 Å²	32.5	2%	0.023	17%	0.17	C	C	.	.	H	α-helix	trans	-57.3	-36.9	-175.7	75	-70.7	164.1	0	0	112.9	N129 K131 V132 M135 I240 Y244 F245 F246	N129-E242 PolarHBondContact ND2-OE2 2.92Å; K131-E242 WeakPolarHBondContact CD-OE1 3.41Å; K131-E242 VanDerWaalsContact CE-OE1 3.28Å; K131-E242 WeakPolarHBondContact CE-OE1 3.36Å; K131-E242 IonicContact NZ-OE1 2.86Å; K131-E242 PolarHBondContact NZ-OE1 2.96Å; V132-E242 HydrophobicContact CG2-CB 3.74Å; V132-E242 HydrophobicContact CG2-CG 3.98Å; M135-E242 HydrophobicContact CE-CG 4.46Å; I240-E242 PolarHBondContact O-N 3.12Å; I240-E242 VanDerWaalsContact O-OE2 3.12Å; E242-Y244 PolarHBondContact O-N 3.36Å; E242-F245 PolarHBondContact O-N 2.83Å; E242-F246 HydrophobicContact CB-CE1 4.36Å; E242-F246 HydrophobicContact CB-CE2 4.13Å; E242-F246 HydrophobicContact CB-CZ 3.88Å; E242-F246 HydrophobicContact CG-CE2 3.68Å; E242-F246 HydrophobicContact CG-CZ 3.8Å; E242-F246 WeakPolarHBondContact O-CD1 3.38Å; E242-F246 WeakPolarHBondContact O-CD2 3.33Å; E242-F246 WeakPolarHBondContact O-CG 3.5Å; E242-F246 PolarHBondContact O-N 3.32Å
243	D	94.6	Very high	95.6	Very high	25 Å²	25	37 Å²	37	13%	0.134	19%	0.185	C	C	.	.	H	α-helix	trans	-54.9	-45.6	177.1	58.6	-27.5	0	0	0	113.8	S215 T216 G217 A241 A247	S215-D243 WeakPolarHBondContact CB-O 3.38Å; S215-D243 PolarHBondContact OG-O 3.09Å; S215-D243 VanDerWaalsContact OG-O 3.13Å; T216-D243 WeakPolarHBondContact CA-OD2 3.29Å; G217-D243 VanDerWaalsContact CA-OD2 3.28Å; G217-D243 WeakPolarHBondContact CA-OD2 3.4Å; G217-D243 PolarHBondContact N-OD2 2.85Å; A241-D243 VanDerWaalsContact CA-OD1 3.24Å; A241-D243 WeakPolarHBondContact CA-OD1 3.46Å; A241-D243 PolarHBondContact O-N 3.38Å; D243-A247 PolarHBondContact O-N 2.86Å
244	Y	95.5	Very high	95.6	Very high	35 Å²	35	40.2 Å²	40.2	14%	0.137	22%	0.218	C	C	.	.	H	α-helix	trans	-67.2	-45.8	175.8	172.8	-95.4	0	0	0	110.4	V213 A241 E242 F246 A247 A248 M290 L291	V213-Y244 HydrophobicContact CG1-CD2 4.05Å; V213-Y244 HydrophobicContact CG1-CE2 3.91Å; A241-Y244 PolarHBondContact O-N 3.23Å; E242-Y244 PolarHBondContact O-N 3.36Å; Y244-F246 PolarHBondContact O-N 3.5Å; Y244-A247 PolarHBondContact O-N 3.36Å; Y244-A248 HydrophobicContact CD1-CB 4.34Å; Y244-A248 HydrophobicContact CE1-CB 3.97Å; Y244-A248 WeakPolarHBondContact O-CB 3.46Å; Y244-A248 PolarHBondContact O-N 3.36Å; Y244-M290 HydrophobicContact CD1-CE 3.36Å; Y244-M290 HydrophobicContact CD1-CG 4.48Å; Y244-M290 HydrophobicContact CD1-SD 4.26Å; Y244-M290 HydrophobicContact CD2-CE 3.52Å; Y244-M290 HydrophobicContact CE1-CB 4.44Å; Y244-M290 HydrophobicContact CE1-CE 3.82Å; Y244-M290 HydrophobicContact CE2-CE 3.98Å; Y244-M290 HydrophobicContact CG-CE 3.18Å; Y244-M290 HydrophobicContact CG-SD 4.38Å; Y244-L291 HydrophobicContact CE2-CD1 4.14Å; Y244-L291 WeakPolarHBondContact OH-CD2 3.31Å
245	F	96.1	Very high	95.6	Very high	24 Å²	24	38 Å²	38	11%	0.105	21%	0.205	C	C	.	.	H	α-helix	trans	-71.9	-28.1	-176	-73.3	-77.2	0	0	0	113.2	F236 Y239 A241 E242 N249 M290 G392	F236-F245 HydrophobicContact CD1-CB 3.74Å; F236-F245 HydrophobicContact CE1-CB 4.18Å; F236-F245 VanDerWaalsContact CE1-O 3.29Å; F236-F245 WeakPolarHBondContact CE1-O 3.45Å; Y239-F245 HydrophobicContact CD1-CD1 4.17Å; Y239-F245 AromaticContact CD1-CD2 3.59Å; Y239-F245 HydrophobicContact CD1-CD2 3.59Å; Y239-F245 HydrophobicContact CD1-CE1 4.02Å; Y239-F245 AromaticContact CD1-CE2 3.42Å; Y239-F245 HydrophobicContact CD1-CE2 3.42Å; Y239-F245 VanDerWaalsContact CD1-CE2 3.42Å; Y239-F245 AromaticContact CD1-CG 3.98Å; Y239-F245 HydrophobicContact CD1-CG 3.98Å; Y239-F245 AromaticContact CD1-CZ 3.67Å; Y239-F245 HydrophobicContact CD1-CZ 3.67Å; Y239-F245 HydrophobicContact CD2-CB 3.76Å; Y239-F245 HydrophobicContact CD2-CD1 4.19Å; Y239-F245 AromaticContact CD2-CD2 3.78Å; Y239-F245 HydrophobicContact CD2-CD2 3.78Å; Y239-F245 HydrophobicContact CD2-CE2 4.46Å; Y239-F245 AromaticContact CD2-CG 3.63Å; Y239-F245 HydrophobicContact CD2-CG 3.63Å; Y239-F245 AromaticContact CE1-CD1 3.96Å; Y239-F245 HydrophobicContact CE1-CD1 3.96Å; Y239-F245 HydrophobicContact CE1-CD2 4.22Å; Y239-F245 AromaticContact CE1-CE1 3.74Å; Y239-F245 HydrophobicContact CE1-CE1 3.74Å; Y239-F245 HydrophobicContact CE1-CE2 4.02Å; Y239-F245 HydrophobicContact CE1-CG 4.2Å; Y239-F245 AromaticContact CE1-CZ 3.79Å; Y239-F245 HydrophobicContact CE1-CZ 3.79Å; Y239-F245 HydrophobicContact CE2-CB 4.05Å; Y239-F245 AromaticContact CE2-CD1 3.97Å; Y239-F245 HydrophobicContact CE2-CD1 3.97Å; Y239-F245 HydrophobicContact CE2-CD2 4.38Å; Y239-F245 AromaticContact CE2-CG 3.87Å; Y239-F245 HydrophobicContact CE2-CG 3.87Å; Y239-F245 HydrophobicContact CG-CB 4.22Å; Y239-F245 HydrophobicContact CG-CD1 4.27Å; Y239-F245 AromaticContact CG-CD2 3.32Å; Y239-F245 HydrophobicContact CG-CD2 3.32Å; Y239-F245 AromaticContact CG-CE2 3.67Å; Y239-F245 HydrophobicContact CG-CE2 3.67Å; Y239-F245 AromaticContact CG-CG 3.67Å; Y239-F245 HydrophobicContact CG-CG 3.67Å; Y239-F245 HydrophobicContact CG-CZ 4.28Å; Y239-F245 AromaticContact CZ-CD1 3.82Å; A241-F245 VanDerWaalsContact O-CD2 3.26Å; A241-F245 WeakPolarHBondContact O-CD2 3.41Å; A241-F245 PolarHBondContact O-N 3.2Å; E242-F245 PolarHBondContact O-N 2.83Å; F245-N249 WeakPolarHBondContact O-CB 3.14Å; F245-N249 PolarHBondContact O-N 3.11Å; F245-M290 HydrophobicContact CE2-CG 3.89Å; F245-M290 HydrophobicContact CE2-SD 4.35Å; F245-M290 HydrophobicContact CZ-CG 3.92Å; F245-G392 WeakPolarHBondContact CZ-O 3.46Å
246	F	96.8	Very high	95.6	Very high	5 Å²	5	41.1 Å²	41.1	2%	0.022	21%	0.211	C	C	.	.	H	α-helix	trans	-58.2	-50.5	167.5	-63.4	-27	0	0	0	110.9	I149 L222 L227 M233 F236 E242 Y244 A250	I149-F246 HydrophobicContact CD1-CE2 3.75Å; L222-F246 HydrophobicContact CD1-CD2 3.63Å; L222-F246 HydrophobicContact CD1-CE2 4.05Å; L222-F246 HydrophobicContact CD1-CG 4.31Å; L222-F246 HydrophobicContact CD2-CB 4.33Å; L227-F246 HydrophobicContact CD2-CB 4.12Å; L227-F246 HydrophobicContact CD2-CD1 3.39Å; L227-F246 HydrophobicContact CD2-CE1 3.9Å; L227-F246 HydrophobicContact CD2-CG 3.81Å; M233-F246 HydrophobicContact CE-CZ 4.44Å; M233-F246 HydrophobicContact CG-CE1 4.32Å; M233-F246 HydrophobicContact CG-CZ 3.92Å; F236-F246 HydrophobicContact CB-CD1 4.1Å; F236-F246 HydrophobicContact CB-CE1 3.56Å; F236-F246 HydrophobicContact CB-CZ 4.47Å; F236-F246 AromaticContact CD1-CD1 3.81Å; F236-F246 HydrophobicContact CD1-CD1 3.81Å; F236-F246 HydrophobicContact CD1-CE1 4.15Å; F236-F246 AromaticContact CD2-CD1 3.58Å; F236-F246 HydrophobicContact CD2-CD1 3.58Å; F236-F246 AromaticContact CD2-CE1 3.4Å; F236-F246 HydrophobicContact CD2-CE1 3.4Å; F236-F246 HydrophobicContact CE1-CD1 4.08Å; F236-F246 AromaticContact CE2-CD1 3.85Å; F236-F246 HydrophobicContact CE2-CD1 3.85Å; F236-F246 HydrophobicContact CE2-CE1 4.09Å; F236-F246 AromaticContact CG-CD1 3.53Å; F236-F246 HydrophobicContact CG-CD1 3.53Å; F236-F246 AromaticContact CG-CE1 3.42Å; F236-F246 HydrophobicContact CG-CE1 3.42Å; F236-F246 VanDerWaalsContact CG-CE1 3.42Å; F236-F246 HydrophobicContact CZ-CD1 4.09Å; E242-F246 HydrophobicContact CB-CE1 4.36Å; E242-F246 HydrophobicContact CB-CE2 4.13Å; E242-F246 HydrophobicContact CB-CZ 3.88Å; E242-F246 HydrophobicContact CG-CE2 3.68Å; E242-F246 HydrophobicContact CG-CZ 3.8Å; E242-F246 WeakPolarHBondContact O-CD1 3.38Å; E242-F246 WeakPolarHBondContact O-CD2 3.33Å; E242-F246 WeakPolarHBondContact O-CG 3.5Å; E242-F246 PolarHBondContact O-N 3.32Å; Y244-F246 PolarHBondContact O-N 3.5Å; F246-A250 WeakPolarHBondContact O-CB 3.46Å; F246-A250 PolarHBondContact O-N 3.29Å
247	A	96.8	Very high	95.6	Very high	1 Å²	1	42 Å²	42	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-68.8	-39.4	-179.7	0	0	0	0	0	112.7	V174 V213 D243 Y244 A250 K251	V174-A247 HydrophobicContact CG1-CB 4.35Å; V174-A247 HydrophobicContact CG2-CB 4.28Å; V213-A247 HydrophobicContact CG1-CB 3.56Å; D243-A247 PolarHBondContact O-N 2.86Å; Y244-A247 PolarHBondContact O-N 3.36Å; A247-A250 PolarHBondContact O-N 2.92Å; A247-K251 WeakPolarHBondContact O-CB 3.49Å; A247-K251 PolarHBondContact O-N 3.47Å
248	A	96.3	Very high	95.7	Very high	25 Å²	25	42.9 Å²	42.9	21%	0.207	22%	0.224	C	C	.	.	H	α-helix	trans	-65.7	-42.9	177.4	0	0	0	0	0	111.7	Y244 K251 S252	Y244-A248 HydrophobicContact CD1-CB 4.34Å; Y244-A248 HydrophobicContact CE1-CB 3.97Å; Y244-A248 WeakPolarHBondContact O-CB 3.46Å; Y244-A248 PolarHBondContact O-N 3.36Å; A248-K251 PolarHBondContact O-N 3.3Å; A248-S252 WeakPolarHBondContact O-CB 3.43Å; A248-S252 PolarHBondContact O-N 2.87Å
249	N	96.9	Very high	95.8	Very high	38 Å²	38	36.4 Å²	36.4	20%	0.203	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-47.4	175	179.3	-89.3	0	0	0	111.2	F236 F245 K251 S252 R253	F236-N249 HydrophobicContact CE1-CB 3.71Å; F236-N249 HydrophobicContact CZ-CB 3.74Å; F245-N249 WeakPolarHBondContact O-CB 3.14Å; F245-N249 PolarHBondContact O-N 3.11Å; N249-K251 VanDerWaalsContact C-N 3.32Å; N249-K251 PolarHBondContact O-N 3.3Å; N249-S252 PolarHBondContact O-N 2.99Å; N249-S252 PolarHBondContact O-OG 3.36Å; N249-R253 PolarHBondContact O-N 2.9Å
250	A	97	Very high	95.9	Very high	1 Å²	1	35 Å²	35	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-56.4	-47.5	175.4	0	0	0	0	0	111.5	A173 V174 V226 F246 A247 S252 R253 W255	A173-A250 HydrophobicContact CB-CB 3.83Å; V174-A250 HydrophobicContact CG2-CB 4.16Å; V226-A250 HydrophobicContact CG1-CB 4Å; F246-A250 WeakPolarHBondContact O-CB 3.46Å; F246-A250 PolarHBondContact O-N 3.29Å; A247-A250 PolarHBondContact O-N 2.92Å; A250-S252 VanDerWaalsContact C-N 3.34Å; A250-S252 PolarHBondContact O-N 3.15Å; A250-R253 PolarHBondContact O-N 2.85Å; A250-W255 HydrophobicContact CB-CB 4.1Å; A250-W255 VanDerWaalsContact O-CB 3.32Å; A250-W255 WeakPolarHBondContact O-CB 3.05Å; A250-W255 PolarHBondContact O-N 3.25Å; A250-W255 VanDerWaalsContact O-N 3.11Å
251	K	96.7	Very high	96.1	Very high	91 Å²	91	35 Å²	35	40%	0.396	20%	0.195	S	C	.	.	H	α-helix	trans	-59.8	-41.5	177.5	-174.9	72.2	-177.7	-165.3	0	112.6	G211 V213 A247 A248 N249 R253 G254 W255	G211-K251 PolarHBondContact O-NZ 2.87Å; V213-K251 HydrophobicContact CG2-CB 3.54Å; V213-K251 HydrophobicContact CG2-CD 4.26Å; V213-K251 HydrophobicContact CG2-CG 3.73Å; A247-K251 WeakPolarHBondContact O-CB 3.49Å; A247-K251 PolarHBondContact O-N 3.47Å; A248-K251 PolarHBondContact O-N 3.3Å; N249-K251 VanDerWaalsContact C-N 3.32Å; N249-K251 PolarHBondContact O-N 3.3Å; K251-R253 PolarHBondContact O-N 3.31Å; K251-R253 VanDerWaalsContact O-N 3.17Å; K251-G254 PolarHBondContact O-N 2.86Å; K251-W255 WeakPolarHBondContact CA-O 3.38Å
252	S	96.2	Very high	96.2	Very high	93 Å²	93	36.1 Å²	36.1	65%	0.65	20%	0.199	S	C	*	.	H	α-helix	trans	-62.2	-21	177.9	75.7	0	0	0	0	113.4	A248 N249 A250	A248-S252 WeakPolarHBondContact O-CB 3.43Å; A248-S252 PolarHBondContact O-N 2.87Å; N249-S252 PolarHBondContact O-N 2.99Å; N249-S252 PolarHBondContact O-OG 3.36Å; A250-S252 VanDerWaalsContact C-N 3.34Å; A250-S252 PolarHBondContact O-N 3.15Å
253	R	96.2	Very high	96.3	Very high	100 Å²	100	36.1 Å²	36.1	38%	0.377	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	12.4	177	-66.4	173	172.2	-172.9	-8.7	113.4	V226 E229 A230 N249 A250 K251	V226-R253 PolarHBondContact O-NH1 2.78Å; V226-R253 VanDerWaalsContact O-NH1 3.16Å; E229-R253 VanDerWaalsContact CB-NH1 3.28Å; E229-R253 PolarHBondContact O-NH1 2.94Å; E229-R253 PolarHBondContact O-NH2 3.47Å; A230-R253 VanDerWaalsContact CA-NH2 3.28Å; N249-R253 PolarHBondContact O-N 2.9Å; A250-R253 PolarHBondContact O-N 2.85Å; K251-R253 PolarHBondContact O-N 3.31Å; K251-R253 VanDerWaalsContact O-N 3.17Å
254	G	96.9	Very high	96.4	Very high	67 Å²	67	35 Å²	35	69%	0.691	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.3	-0.6	177.7	0	0	0	0	0	115.1	K251	K251-G254 PolarHBondContact O-N 2.86Å
255	W	97.6	Very high	96.4	Very high	58 Å²	58	34.7 Å²	34.7	22%	0.22	19%	0.194	C	C	.	.			trans	-73.7	151.7	176.8	-64.8	96.5	0	0	0	112.3	S170 A173 V226 A250 K251	S170-W255 WeakPolarHBondContact O-CZ3 3.39Å; A173-W255 HydrophobicContact CB-CB 3.57Å; A173-W255 HydrophobicContact CB-CD2 3.83Å; A173-W255 HydrophobicContact CB-CE3 3.94Å; A173-W255 HydrophobicContact CB-CG 3.67Å; V226-W255 HydrophobicContact CG2-CD2 4.12Å; V226-W255 HydrophobicContact CG2-CG 4.49Å; V226-W255 HydrophobicContact CG2-CH2 4.48Å; V226-W255 HydrophobicContact CG2-CZ2 3.85Å; A250-W255 HydrophobicContact CB-CB 4.1Å; A250-W255 VanDerWaalsContact O-CB 3.32Å; A250-W255 WeakPolarHBondContact O-CB 3.05Å; A250-W255 PolarHBondContact O-N 3.25Å; A250-W255 VanDerWaalsContact O-N 3.11Å; K251-W255 WeakPolarHBondContact CA-O 3.38Å
256	K	97	Very high	96.3	Very high	110 Å²	110	34 Å²	34	48%	0.478	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	154.8	172.8	-64	-178.5	-171.4	158.6	0	111.7	D171 V172 A173	D171-K256 WeakPolarHBondContact O-CB 3.28Å; D171-K256 PolarHBondContact O-N 3.35Å; D171-K256 VanDerWaalsContact OD2-CD 3.29Å; D171-K256 WeakPolarHBondContact OD2-CD 3.44Å; D171-K256 VanDerWaalsContact OD2-CE 3.24Å; D171-K256 WeakPolarHBondContact OD2-CE 3.35Å; D171-K256 IonicContact OD2-NZ 2.84Å; D171-K256 PolarHBondContact OD2-NZ 2.93Å; V172-K256 WeakPolarHBondContact CA-O 3.41Å; V172-K256 HydrophobicContact CG2-CB 4.1Å; A173-K256 PolarHBondContact N-O 2.83Å
257	C	96.2	Very high	96.2	Very high	27 Å²	27	34.7 Å²	34.7	18%	0.182	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	130.4	166.8	-62.8	0	0	0	0	108.3	V174	V174-C257 CarbonylContact O-C 3.48Å; V174-C257 VanDerWaalsContact O-CA 3.29Å; V174-C257 WeakPolarHBondContact O-CA 3.18Å
258	A	96.2	Very high	95.7	Very high	18 Å²	18	36.4 Å²	36.4	15%	0.149	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	157.8	177.5	0	0	0	0	0	111.5	A167 V172 V174 V175 T176	A167-A258 HydrophobicContact CB-CB 4.29Å; V172-A258 HydrophobicContact CG1-CB 3.85Å; V172-A258 HydrophobicContact CG2-CB 4.16Å; V174-A258 PolarHBondContact O-N 2.8Å; V175-A258 WeakPolarHBondContact CA-O 3.19Å; V175-A258 HydrophobicContact CG2-CB 4.19Å; T176-A258 PolarHBondContact N-O 3.47Å
259	L	96.5	Very high	95	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	136.1	173	-172.8	62.6	0	0	0	109.5	Y39 K43 L178 Y204 L205 H208	Y39-L259 HydrophobicContact CE1-CD2 3.96Å; K43-L259 WeakPolarHBondContact CE-O 3.32Å; K43-L259 HydrophobicContact CG-CD2 4.25Å; K43-L259 PolarHBondContact NZ-O 3.14Å; L178-L259 HydrophobicContact CB-CD1 4.31Å; Y204-L259 HydrophobicContact CD1-CD1 4.15Å; Y204-L259 HydrophobicContact CE1-CD1 3.63Å; L205-L259 HydrophobicContact CD2-CD2 3.71Å; H208-L259 HydrophobicContact CB-CB 4.25Å; H208-L259 HydrophobicContact CB-CD2 4.43Å
260	S	95.7	Very high	94.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.226	C	C	.	.			trans	-68.5	148.3	165.8	170.1	0	0	0	0	110.7	D163 T176 Q262	D163-S260 WeakPolarHBondContact OD2-CA 3.44Å; D163-S260 WeakPolarHBondContact OD2-CB 3.44Å; D163-S260 PolarHBondContact OD2-OG 2.97Å; T176-S260 WeakPolarHBondContact O-CB 3Å; T176-S260 PolarHBondContact O-N 2.69Å; S260-Q262 PolarHBondContact O-N 3.31Å; S260-Q262 PolarHBondContact OG-N 3.37Å; S260-Q262 PolarHBondContact OG-O 2.84Å
261	S	96	Very high	93.5	Very high	4 Å²	4	42.4 Å²	42.4	3%	0.028	24%	0.242	C	C	.	.	S	Bend	trans	-69.9	-18.7	171.1	77.1	0	0	0	0	112.2	K43 L44 H45 D163	K43-S261 WeakPolarHBondContact O-CB 3.44Å; L44-S261 CarbonylContact C-O 3.55Å; L44-S261 VanDerWaalsContact CA-O 3.3Å; L44-S261 WeakPolarHBondContact CA-O 3.17Å; H45-S261 PolarHBondContact N-O 3.45Å; D163-S261 WeakPolarHBondContact OD1-CB 3.28Å; D163-S261 PolarHBondContact OD1-OG 3.23Å; D163-S261 PolarHBondContact OD2-N 3.01Å; D163-S261 PolarHBondContact OD2-OG 3.2Å
262	Q	95	Very high	93.3	Very high	32 Å²	32	40.4 Å²	40.4	15%	0.15	24%	0.24	C	C	.	.	S	Bend	trans	-103.2	129.2	-178	-58	-151.7	8.9	0	0	111.7	A160 D163 Q177 S260	A160-Q262 HydrophobicContact CB-CB 4.43Å; D163-Q262 HydrophobicContact CB-CG 4.36Å; Q177-Q262 WeakPolarHBondContact CB-O 3.49Å; Q177-Q262 WeakPolarHBondContact CG-O 3.45Å; Q177-Q262 PolarHBondContact NE2-O 2.89Å; S260-Q262 PolarHBondContact O-N 3.31Å; S260-Q262 PolarHBondContact OG-N 3.37Å; S260-Q262 PolarHBondContact OG-O 2.84Å
263	P	96	Very high	93.3	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.026	22%	0.218	C	C	.	.			trans	-69.5	152.9	176.3	28.8	-34.3	0	0	0	112.1	Q177 L178 F180 L265	Q177-P263 PolarHBondContact NE2-O 2.99Å; L178-P263 HydrophobicContact CB-CB 4.41Å; L178-P263 CarbonylContact O-C 3.53Å; L178-P263 WeakPolarHBondContact O-CA 3.28Å; L178-P263 VanDerWaalsContact O-CB 3.24Å; L178-P263 WeakPolarHBondContact O-CB 3.45Å; F180-P263 HydrophobicContact CB-CB 3.96Å; P263-L265 HydrophobicContact CB-CD2 4.47Å; P263-L265 HydrophobicContact CG-CD2 4.07Å; P263-L265 PolarHBondContact O-N 3.27Å
264	A	96.3	Very high	93.2	Very high	2 Å²	2	38.1 Å²	38.1	2%	0.017	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	111.6	169.7	0	0	0	0	0	108.7	L154 Q177 L178 F180 Q266	L154-A264 HydrophobicContact CD1-CB 3.86Å; L154-A264 HydrophobicContact CD2-CB 4.11Å; Q177-A264 HydrophobicContact CB-CB 3.64Å; L178-A264 PolarHBondContact O-N 3.34Å; F180-A264 CarbonylContact C-O 3.54Å; F180-A264 PolarHBondContact N-O 2.91Å; F180-A264 VanDerWaalsContact O-O 3.05Å; A264-Q266 PolarHBondContact O-N 2.86Å
265	L	96	Very high	93	Very high	29 Å²	29	37.3 Å²	37.3	15%	0.152	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	109.9	-174.4	-58.2	179.3	0	0	0	111.2	L154 R155 K157 F180 P263	L154-L265 WeakPolarHBondContact CA-O 3.42Å; L154-L265 WeakPolarHBondContact CD2-O 3.45Å; R155-L265 PolarHBondContact N-O 3.31Å; K157-L265 HydrophobicContact CG-CD1 4.17Å; F180-L265 HydrophobicContact CB-CD2 4.39Å; F180-L265 HydrophobicContact CD1-CD2 4.14Å; P263-L265 HydrophobicContact CB-CD2 4.47Å; P263-L265 HydrophobicContact CG-CD2 4.07Å; P263-L265 PolarHBondContact O-N 3.27Å
266	Q	94.9	Very high	92.8	Very high	10 Å²	10	34.8 Å²	34.8	5%	0.047	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	127.4	175	-63.5	167.9	84.9	0	0	110.7	L154 F180 T181 C182 M218 A264	L154-Q266 HydrophobicContact CD2-CB 4.31Å; L154-Q266 HydrophobicContact CD2-CG 3.62Å; F180-Q266 VanDerWaalsContact O-CB 3.31Å; F180-Q266 WeakPolarHBondContact O-CB 3.24Å; F180-Q266 VanDerWaalsContact O-CG 3.29Å; F180-Q266 WeakPolarHBondContact O-CG 3.26Å; F180-Q266 PolarHBondContact O-N 3.42Å; F180-Q266 PolarHBondContact O-NE2 2.89Å; T181-Q266 WeakPolarHBondContact CA-O 3.36Å; C182-Q266 PolarHBondContact N-O 3.49Å; M218-Q266 HydrophobicContact SD-CG 3.79Å; M218-Q266 PolarHBondContact SD-OE1 3.3Å; A264-Q266 PolarHBondContact O-N 2.86Å
267	N	94.5	Very high	92.7	Very high	19 Å²	19	30.7 Å²	30.7	10%	0.102	19%	0.188	C	C	.	.			trans	-133.8	47.1	-178.2	-169.3	39.7	0	0	0	110.2	N72 N76 G153 R155 C182	N72-N267 WeakPolarHBondContact CB-O 3.41Å; N72-N267 PolarHBondContact ND2-O 3.48Å; N72-N267 PolarHBondContact ND2-OD1 3.22Å; N76-N267 PolarHBondContact ND2-O 2.84Å; N76-N267 VanDerWaalsContact ND2-O 3.15Å; N76-N267 WeakPolarHBondContact OD1-CB 3.23Å; N76-N267 PolarHBondContact OD1-ND2 3.44Å; G153-N267 CarbonylContact O-C 3.6Å; G153-N267 PolarHBondContact O-N 3.01Å; R155-N267 HydrophobicContact CB-CB 4.1Å; C182-N267 HydrophobicContact CB-CB 4.02Å
268	S	85.8	Confident	92.5	Very high	36 Å²	36	33.5 Å²	33.5	25%	0.252	20%	0.201	S	C	.	.			trans	-62.5	136.6	176.2	176.9	0	0	0	0	110.8	R184 D270	R184-S268 PolarHBondContact NH1-O 3.2Å; S268-D270 VanDerWaalsContact C-N 3.27Å; S268-D270 PolarHBondContact OG-N 3.41Å; S268-D270 PolarHBondContact OG-O 3.03Å
269	G	82.3	Confident	92.3	Very high	17 Å²	17	35 Å²	35	18%	0.175	20%	0.203	C	C	.	.	S	Bend	trans	-63	-32	170	0	0	0	0	0	113.3	D70 C271	D70-G269 PolarHBondContact OD1-N 3.01Å; G269-C271 PolarHBondContact O-N 2.97Å
270	D	77.4	Confident	92.2	Very high	120 Å²	120	35.9 Å²	35.9	64%	0.642	21%	0.207	S	C	*	.			trans	-76.4	123.4	176	-70.4	-25.4	0	0	0	111.1	R184 S268	R184-D270 PolarHBondContact NH1-O 3.27Å; S268-D270 VanDerWaalsContact C-N 3.27Å; S268-D270 PolarHBondContact OG-N 3.41Å; S268-D270 PolarHBondContact OG-O 3.03Å
271	C	83.7	Confident	92.1	Very high	53 Å²	53	36.1 Å²	36.1	36%	0.358	21%	0.209	S	C	.	.			trans	-133.4	88.5	179.3	-166.3	0	0	0	0	109.5	A189 G269	A189-C271 PolarHBondContact N-SG 2.89Å; G269-C271 PolarHBondContact O-N 2.97Å
272	S	93.3	Very high	92	Very high	50 Å²	50	39.2 Å²	39.2	35%	0.35	22%	0.22	S	C	.	.			trans	-140.9	135.6	-178.5	166.1	0	0	0	0	111.1	I274 A275 F276	S272-I274 VanDerWaalsContact C-N 3.3Å; S272-I274 PolarHBondContact O-N 3.32Å; S272-I274 PolarHBondContact OG-N 3.48Å; S272-A275 PolarHBondContact O-N 3.4Å; S272-A275 PolarHBondContact OG-N 3.02Å; S272-F276 WeakPolarHBondContact O-CB 3.47Å; S272-F276 PolarHBondContact O-N 2.75Å
273	V	95.3	Very high	91.9	Very high	31 Å²	31	39.7 Å²	39.7	19%	0.188	22%	0.22	C	C	.	.	H	α-helix	trans	-60.1	-42.5	177.3	177.8	0	0	0	0	110.9	F187 A188 L191 F276 Q277 Y362	F187-V273 HydrophobicContact CD1-CG2 3.86Å; F187-V273 HydrophobicContact CE1-CG2 4.14Å; A188-V273 HydrophobicContact CB-CG2 3.91Å; L191-V273 HydrophobicContact CD2-CG1 3.93Å; L191-V273 HydrophobicContact CD2-CG2 4.39Å; V273-F276 PolarHBondContact O-N 3.13Å; V273-Q277 WeakPolarHBondContact O-CG 3.41Å; V273-Q277 PolarHBondContact O-N 3.42Å; V273-Y362 HydrophobicContact CG1-CE1 3.85Å; V273-Y362 WeakPolarHBondContact CG1-OH 3.47Å
274	I	94.2	Very high	91.8	Very high	114 Å²	114	39.5 Å²	39.5	59%	0.585	22%	0.219	S	C	*	.	H	α-helix	trans	-66.6	-46.7	-179.8	-63.4	172.2	0	0	0	110	S272 F276 Q277 N278	S272-I274 VanDerWaalsContact C-N 3.3Å; S272-I274 PolarHBondContact O-N 3.32Å; S272-I274 PolarHBondContact OG-N 3.48Å; I274-F276 VanDerWaalsContact C-N 3.26Å; I274-F276 PolarHBondContact O-N 3.42Å; I274-Q277 PolarHBondContact O-N 3.12Å; I274-N278 WeakPolarHBondContact O-CB 3.28Å; I274-N278 VanDerWaalsContact O-CG 3.22Å; I274-N278 PolarHBondContact O-N 2.91Å; I274-N278 PolarHBondContact O-ND2 3.05Å
275	A	92.3	Very high	91.6	Very high	49 Å²	49	41.3 Å²	41.3	41%	0.405	23%	0.226	S	C	.	.	H	α-helix	trans	-59.4	-41.4	177.5	0	0	0	0	0	111.1	S272 N278 R279	S272-A275 PolarHBondContact O-N 3.4Å; S272-A275 PolarHBondContact OG-N 3.02Å; A275-N278 PolarHBondContact O-N 3.43Å; A275-R279 PolarHBondContact O-N 2.88Å
276	F	94.7	Very high	91.5	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-67.3	-46.3	177.6	-174.5	-128.4	0	0	0	112.7	L191 E192 Y195 F196 S272 V273 I274 N278 R279 L280	L191-F276 HydrophobicContact CD2-CD1 4.12Å; L191-F276 HydrophobicContact CG-CD1 4.06Å; L191-F276 HydrophobicContact CG-CE1 4.15Å; E192-F276 HydrophobicContact CB-CE1 4.36Å; E192-F276 HydrophobicContact CB-CE2 4.37Å; E192-F276 HydrophobicContact CB-CZ 4.22Å; E192-F276 HydrophobicContact CG-CB 4.25Å; E192-F276 HydrophobicContact CG-CD1 3.76Å; E192-F276 HydrophobicContact CG-CD2 3.56Å; E192-F276 HydrophobicContact CG-CE1 3.9Å; E192-F276 HydrophobicContact CG-CE2 3.72Å; E192-F276 HydrophobicContact CG-CG 3.58Å; E192-F276 HydrophobicContact CG-CZ 3.88Å; Y195-F276 HydrophobicContact CD1-CE2 4.38Å; Y195-F276 AromaticContact CD1-CZ 3.62Å; Y195-F276 HydrophobicContact CD1-CZ 3.62Å; Y195-F276 HydrophobicContact CE1-CZ 4.43Å; Y195-F276 HydrophobicContact CG-CE1 4.23Å; Y195-F276 AromaticContact CG-CZ 3.72Å; Y195-F276 HydrophobicContact CG-CZ 3.72Å; F196-F276 AromaticContact CE2-CE2 3.86Å; F196-F276 HydrophobicContact CE2-CE2 3.86Å; F196-F276 HydrophobicContact CE2-CZ 4.23Å; F196-F276 HydrophobicContact CZ-CE2 4.36Å; S272-F276 WeakPolarHBondContact O-CB 3.47Å; S272-F276 PolarHBondContact O-N 2.75Å; V273-F276 PolarHBondContact O-N 3.13Å; I274-F276 VanDerWaalsContact C-N 3.26Å; I274-F276 PolarHBondContact O-N 3.42Å; F276-N278 VanDerWaalsContact C-N 3.3Å; F276-N278 PolarHBondContact O-N 2.89Å; F276-R279 WeakPolarHBondContact O-CA 3.12Å; F276-R279 WeakPolarHBondContact O-CB 3.29Å; F276-R279 PolarHBondContact O-N 2.74Å; F276-R279 VanDerWaalsContact O-N 3.1Å; F276-L280 HydrophobicContact CD1-CD1 4.23Å; F276-L280 HydrophobicContact CD2-CG 4.41Å; F276-L280 HydrophobicContact CE1-CD1 3.78Å; F276-L280 HydrophobicContact CE1-CG 4.25Å; F276-L280 HydrophobicContact CE2-CD1 4.48Å; F276-L280 HydrophobicContact CE2-CD2 3.84Å; F276-L280 HydrophobicContact CE2-CG 4.08Å; F276-L280 HydrophobicContact CZ-CD1 3.92Å; F276-L280 HydrophobicContact CZ-CD2 3.81Å; F276-L280 HydrophobicContact CZ-CG 4Å; F276-L280 WeakPolarHBondContact O-CG 3.44Å; F276-L280 PolarHBondContact O-N 2.75Å
277	Q	94.3	Very high	91.3	Very high	24 Å²	24	43.1 Å²	43.1	11%	0.112	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-37	175.6	-76.8	-176.2	-17.7	0	0	112.8	V273 I274 R279 L280 S281 Y362 V370	V273-Q277 WeakPolarHBondContact O-CG 3.41Å; V273-Q277 PolarHBondContact O-N 3.42Å; I274-Q277 PolarHBondContact O-N 3.12Å; Q277-R279 VanDerWaalsContact C-N 3.33Å; Q277-L280 PolarHBondContact O-N 2.9Å; Q277-S281 WeakPolarHBondContact O-CB 3.42Å; Q277-S281 PolarHBondContact O-N 2.88Å; Q277-S281 PolarHBondContact O-OG 3.29Å; Q277-Y362 PolarHBondContact NE2-OH 3.25Å; Q277-Y362 VanDerWaalsContact NE2-OH 3.11Å; Q277-V370 HydrophobicContact CG-CG2 4.38Å
278	N	92.4	Very high	91.2	Very high	86 Å²	86	42.5 Å²	42.5	46%	0.46	23%	0.228	S	C	.	.	H	α-helix	trans	-63.4	-41.2	173.7	-72.6	-16.1	0	0	0	111.2	I274 A275 F276 S281 R282	I274-N278 WeakPolarHBondContact O-CB 3.28Å; I274-N278 VanDerWaalsContact O-CG 3.22Å; I274-N278 PolarHBondContact O-N 2.91Å; I274-N278 PolarHBondContact O-ND2 3.05Å; A275-N278 PolarHBondContact O-N 3.43Å; F276-N278 VanDerWaalsContact C-N 3.3Å; F276-N278 PolarHBondContact O-N 2.89Å; N278-S281 PolarHBondContact O-N 2.89Å; N278-R282 WeakPolarHBondContact O-CB 3.27Å; N278-R282 PolarHBondContact O-N 3.16Å
279	R	92.2	Very high	91.5	Very high	50 Å²	50	40.9 Å²	40.9	19%	0.189	22%	0.217	C	C	.	.	H	α-helix	trans	-61.5	-46.3	173.7	-179.3	-179.3	178.6	-172.9	1.7	111.7	A275 F276 Q277 S281 R282 W283	A275-R279 PolarHBondContact O-N 2.88Å; F276-R279 WeakPolarHBondContact O-CA 3.12Å; F276-R279 WeakPolarHBondContact O-CB 3.29Å; F276-R279 PolarHBondContact O-N 2.74Å; F276-R279 VanDerWaalsContact O-N 3.1Å; Q277-R279 VanDerWaalsContact C-N 3.33Å; R279-S281 PolarHBondContact O-N 3.29Å; R279-R282 PolarHBondContact O-N 2.8Å; R279-W283 HydrophobicContact CG-CD2 4.28Å; R279-W283 HydrophobicContact CG-CZ2 4.34Å; R279-W283 PolarHBondContact O-N 2.72Å
280	L	94.1	Very high	92	Very high	18 Å²	18	41.2 Å²	41.2	9%	0.094	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-42.3	177.6	-64.6	-174.7	0	0	0	112	Y195 F276 Q277 R282 W283 A284 V370	Y195-L280 HydrophobicContact CD1-CD2 3.95Å; Y195-L280 HydrophobicContact CD2-CD1 3.96Å; Y195-L280 HydrophobicContact CD2-CD2 4.1Å; Y195-L280 HydrophobicContact CE1-CD2 3.48Å; Y195-L280 VanDerWaalsContact CE1-CD2 3.48Å; Y195-L280 HydrophobicContact CE2-CD1 4.05Å; Y195-L280 HydrophobicContact CE2-CD2 3.65Å; Y195-L280 HydrophobicContact CE2-CG 4.48Å; Y195-L280 HydrophobicContact CG-CD1 4.39Å; Y195-L280 HydrophobicContact CG-CD2 4.24Å; F276-L280 HydrophobicContact CD1-CD1 4.23Å; F276-L280 HydrophobicContact CD2-CG 4.41Å; F276-L280 HydrophobicContact CE1-CD1 3.78Å; F276-L280 HydrophobicContact CE1-CG 4.25Å; F276-L280 HydrophobicContact CE2-CD1 4.48Å; F276-L280 HydrophobicContact CE2-CD2 3.84Å; F276-L280 HydrophobicContact CE2-CG 4.08Å; F276-L280 HydrophobicContact CZ-CD1 3.92Å; F276-L280 HydrophobicContact CZ-CD2 3.81Å; F276-L280 HydrophobicContact CZ-CG 4Å; F276-L280 WeakPolarHBondContact O-CG 3.44Å; F276-L280 PolarHBondContact O-N 2.75Å; Q277-L280 PolarHBondContact O-N 2.9Å; L280-R282 PolarHBondContact O-N 3.32Å; L280-W283 HydrophobicContact CD2-CE3 4.27Å; L280-W283 PolarHBondContact O-N 2.83Å; L280-A284 PolarHBondContact O-N 2.7Å; L280-V370 HydrophobicContact CB-CG1 3.76Å
281	S	93.8	Very high	92.7	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.028	20%	0.199	C	C	.	.	H	α-helix	trans	-62	-44.7	177.3	-55.4	0	0	0	0	111	Q277 N278 R279 W283 A284 R285	Q277-S281 WeakPolarHBondContact O-CB 3.42Å; Q277-S281 PolarHBondContact O-N 2.88Å; Q277-S281 PolarHBondContact O-OG 3.29Å; N278-S281 PolarHBondContact O-N 2.89Å; R279-S281 PolarHBondContact O-N 3.29Å; S281-W283 VanDerWaalsContact C-N 3.34Å; S281-W283 PolarHBondContact O-N 3.39Å; S281-A284 PolarHBondContact O-N 2.86Å; S281-R285 WeakPolarHBondContact O-CG 3.4Å; S281-R285 PolarHBondContact O-N 3.41Å
282	R	92.8	Very high	92.9	Very high	70 Å²	70	38.8 Å²	38.8	26%	0.264	20%	0.2	S	C	.	.	H	α-helix	trans	-59.9	-43.3	175	-178.6	175.4	67.1	-147.2	1.1	112	N278 R279 L280 R285 L286 I380	N278-R282 WeakPolarHBondContact O-CB 3.27Å; N278-R282 PolarHBondContact O-N 3.16Å; R279-R282 PolarHBondContact O-N 2.8Å; L280-R282 PolarHBondContact O-N 3.32Å; R282-R285 PolarHBondContact O-N 3.01Å; R282-L286 HydrophobicContact CG-CD1 4.42Å; R282-L286 WeakPolarHBondContact O-CG 3.35Å; R282-L286 PolarHBondContact O-N 3.19Å; R282-L286 VanDerWaalsContact O-N 3.09Å; R282-I380 HydrophobicContact CG-CD1 4.12Å; R282-I380 HydrophobicContact CG-CG1 4.28Å; R282-I380 HydrophobicContact CG-CG2 3.68Å
283	W	93.3	Very high	92.7	Very high	41 Å²	41	39.9 Å²	39.9	16%	0.155	21%	0.207	C	C	.	.	H	α-helix	trans	-66.5	-37.8	177.6	-71.9	-4.8	0	0	0	112.9	Y195 F196 M218 R279 L280 S281 L286 R287	Y195-W283 HydrophobicContact CE1-CZ3 4.39Å; F196-W283 AromaticContact CE1-CH2 3.89Å; F196-W283 HydrophobicContact CE1-CH2 3.89Å; F196-W283 AromaticContact CE1-CZ3 3.76Å; F196-W283 HydrophobicContact CE1-CZ3 3.76Å; F196-W283 AromaticContact CZ-CH2 3.77Å; F196-W283 HydrophobicContact CZ-CH2 3.77Å; F196-W283 AromaticContact CZ-CZ3 3.8Å; F196-W283 HydrophobicContact CZ-CZ3 3.8Å; M218-W283 HydrophobicContact CE-CH2 3.71Å; M218-W283 HydrophobicContact CE-CZ2 4.26Å; M218-W283 HydrophobicContact SD-CH2 4.47Å; R279-W283 HydrophobicContact CG-CD2 4.28Å; R279-W283 HydrophobicContact CG-CZ2 4.34Å; R279-W283 PolarHBondContact O-N 2.72Å; L280-W283 HydrophobicContact CD2-CE3 4.27Å; L280-W283 PolarHBondContact O-N 2.83Å; S281-W283 VanDerWaalsContact C-N 3.34Å; S281-W283 PolarHBondContact O-N 3.39Å; W283-L286 PolarHBondContact O-N 2.96Å; W283-R287 WeakPolarHBondContact O-CG 3.29Å; W283-R287 PolarHBondContact O-N 3Å; W283-R287 PolarHBondContact O-NH1 3.24Å
284	A	93.5	Very high	92.3	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.008	20%	0.203	C	C	.	.	H	α-helix	trans	-63.6	-42.3	173.8	0	0	0	0	0	111.5	L280 S281 L286 R287 I288 F371 A374	L280-A284 PolarHBondContact O-N 2.7Å; S281-A284 PolarHBondContact O-N 2.86Å; A284-L286 PolarHBondContact O-N 3.23Å; A284-R287 PolarHBondContact O-N 3.37Å; A284-I288 WeakPolarHBondContact O-CB 3.48Å; A284-I288 VanDerWaalsContact O-CG1 3.25Å; A284-I288 WeakPolarHBondContact O-CG1 3.5Å; A284-I288 PolarHBondContact O-N 2.97Å; A284-F371 HydrophobicContact CB-CD2 4.48Å; A284-F371 HydrophobicContact CB-CE2 4.43Å; A284-A374 HydrophobicContact CB-CB 3.52Å
285	R	93.1	Very high	91.9	Very high	40 Å²	40	34.8 Å²	34.8	15%	0.151	18%	0.183	C	C	.	.	H	α-helix	trans	-56.5	-48.3	173.3	-68.5	169.1	-172.2	170.2	2.8	112.1	S281 R282 R287 I288 A289 R373 A374 N377 D379 I380	S281-R285 WeakPolarHBondContact O-CG 3.4Å; S281-R285 PolarHBondContact O-N 3.41Å; R282-R285 PolarHBondContact O-N 3.01Å; R285-R287 PolarHBondContact O-N 3.28Å; R285-I288 PolarHBondContact O-N 3.35Å; R285-A289 PolarHBondContact O-N 2.9Å; R285-R373 PolarHBondContact NH2-O 3.44Å; R285-R373 VanDerWaalsContact NH2-O 3.1Å; R285-A374 HydrophobicContact CG-CB 3.82Å; R285-N377 WeakPolarHBondContact CD-O 3.29Å; R285-N377 WeakPolarHBondContact CG-O 3.46Å; R285-N377 PolarHBondContact NE-O 2.93Å; R285-D379 PolarHBondContact NH1-O 3.01Å; R285-I380 HydrophobicContact CB-CD1 4.02Å; R285-I380 HydrophobicContact CB-CG1 4.24Å
286	L	92.8	Very high	91.7	Very high	14 Å²	14	39.8 Å²	39.8	7%	0.073	20%	0.196	C	C	.	.	H	α-helix	trans	-56.4	-51	176.3	-73.4	162.2	0	0	0	111.1	I240 A241 R282 W283 A284 I288 A289 M290 I380 L389	I240-L286 HydrophobicContact CB-CD2 3.78Å; I240-L286 HydrophobicContact CG2-CD2 3.77Å; A241-L286 HydrophobicContact CB-CD2 4.19Å; R282-L286 HydrophobicContact CG-CD1 4.42Å; R282-L286 WeakPolarHBondContact O-CG 3.35Å; R282-L286 PolarHBondContact O-N 3.19Å; R282-L286 VanDerWaalsContact O-N 3.09Å; W283-L286 PolarHBondContact O-N 2.96Å; A284-L286 PolarHBondContact O-N 3.23Å; L286-I288 PolarHBondContact O-N 3.03Å; L286-A289 PolarHBondContact O-N 3.41Å; L286-M290 HydrophobicContact CB-SD 4.17Å; L286-M290 WeakPolarHBondContact O-CB 3.31Å; L286-M290 WeakPolarHBondContact O-CG 3.4Å; L286-M290 PolarHBondContact O-N 2.84Å; L286-M290 VanDerWaalsContact O-SD 3.33Å; L286-I380 HydrophobicContact CD2-CD1 3.89Å; L286-I380 HydrophobicContact CG-CD1 3.75Å; L286-L389 HydrophobicContact CB-CD1 4.44Å; L286-L389 HydrophobicContact CD2-CD1 3.55Å; L286-L389 HydrophobicContact CD2-CD2 4.34Å; L286-L389 HydrophobicContact CG-CD1 4.1Å
287	R	92.6	Very high	91.4	Very high	63 Å²	63	43.4 Å²	43.4	24%	0.238	22%	0.216	C	C	.	.	H	α-helix	trans	-63.2	-42	-179.2	-72	-166.8	-54.9	-81.6	2.4	112.9	W283 A284 R285 A289 M290 L291 T294 E298	W283-R287 WeakPolarHBondContact O-CG 3.29Å; W283-R287 PolarHBondContact O-N 3Å; W283-R287 PolarHBondContact O-NH1 3.24Å; A284-R287 PolarHBondContact O-N 3.37Å; R285-R287 PolarHBondContact O-N 3.28Å; R287-A289 PolarHBondContact O-N 3.44Å; R287-M290 PolarHBondContact O-N 3.01Å; R287-L291 CarbonylContact O-C 3.47Å; R287-L291 WeakPolarHBondContact O-CA 3.18Å; R287-L291 PolarHBondContact O-N 3.14Å; R287-T294 PolarHBondContact O-OG1 2.98Å; R287-E298 WeakPolarHBondContact CD-OE1 3.33Å; R287-E298 IonicContact CZ-OE1 3.05Å; R287-E298 IonicContact CZ-OE2 3.52Å; R287-E298 IonicContact NE-OE1 2.74Å; R287-E298 PolarHBondContact NE-OE1 3.49Å; R287-E298 IonicContact NE-OE2 3.32Å; R287-E298 PolarHBondContact NE-OE2 3.05Å; R287-E298 IonicContact NH2-OE1 2.88Å; R287-E298 IonicContact NH2-OE2 3.88Å; R287-E298 PolarHBondContact NH2-OE2 3.15Å
288	I	92.3	Very high	91.3	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-58.4	-49.6	176.4	-70.8	166.3	0	0	0	109.8	A284 R285 L286 M290 L291 P292 A295 F371 A374 I375 W391	A284-I288 WeakPolarHBondContact O-CB 3.48Å; A284-I288 VanDerWaalsContact O-CG1 3.25Å; A284-I288 WeakPolarHBondContact O-CG1 3.5Å; A284-I288 PolarHBondContact O-N 2.97Å; R285-I288 PolarHBondContact O-N 3.35Å; L286-I288 PolarHBondContact O-N 3.03Å; I288-M290 VanDerWaalsContact C-N 3.34Å; I288-M290 PolarHBondContact O-N 3.49Å; I288-L291 CarbonylContact O-C 3.45Å; I288-P292 WeakPolarHBondContact O-CA 3.29Å; I288-A295 HydrophobicContact CG1-CB 4.01Å; I288-A295 HydrophobicContact CG2-CB 4.09Å; I288-F371 HydrophobicContact CD1-CE1 4Å; I288-F371 HydrophobicContact CD1-CZ 4.02Å; I288-F371 HydrophobicContact CG1-CZ 4.19Å; I288-A374 HydrophobicContact CD1-CB 4.13Å; I288-I375 HydrophobicContact CD1-CG1 3.9Å; I288-W391 HydrophobicContact CG2-CH2 4.46Å; I288-W391 HydrophobicContact CG2-CZ3 4.29Å; I288-W391 WeakPolarHBondContact O-CZ3 3.32Å
289	A	91.9	Very high	91.1	Very high	3 Å²	3	41.3 Å²	41.3	3%	0.025	21%	0.206	C	C	.	.	H	α-helix	trans	-66.4	-33.6	-179.5	0	0	0	0	0	113.5	R285 L286 R287 L389 G392 G393	R285-A289 PolarHBondContact O-N 2.9Å; L286-A289 PolarHBondContact O-N 3.41Å; R287-A289 PolarHBondContact O-N 3.44Å; A289-L389 HydrophobicContact CB-CB 3.53Å; A289-L389 HydrophobicContact CB-CD1 3.79Å; A289-L389 HydrophobicContact CB-CG 4.35Å; A289-G392 PolarHBondContact O-N 3.41Å; A289-G393 PolarHBondContact O-N 2.89Å
290	M	92.4	Very high	91.2	Very high	24 Å²	24	43.2 Å²	43.2	12%	0.118	22%	0.216	C	C	.	.	H	α-helix	trans	-78.4	-41.6	179.5	-70.7	161.4	31.8	0	0	113.1	A241 Y244 F245 L286 R287 I288	A241-M290 HydrophobicContact CB-SD 3.53Å; A241-M290 VanDerWaalsContact CB-SD 3.53Å; Y244-M290 HydrophobicContact CD1-CE 3.36Å; Y244-M290 HydrophobicContact CD1-CG 4.48Å; Y244-M290 HydrophobicContact CD1-SD 4.26Å; Y244-M290 HydrophobicContact CD2-CE 3.52Å; Y244-M290 HydrophobicContact CE1-CB 4.44Å; Y244-M290 HydrophobicContact CE1-CE 3.82Å; Y244-M290 HydrophobicContact CE2-CE 3.98Å; Y244-M290 HydrophobicContact CG-CE 3.18Å; Y244-M290 HydrophobicContact CG-SD 4.38Å; F245-M290 HydrophobicContact CE2-CG 3.89Å; F245-M290 HydrophobicContact CE2-SD 4.35Å; F245-M290 HydrophobicContact CZ-CG 3.92Å; L286-M290 HydrophobicContact CB-SD 4.17Å; L286-M290 WeakPolarHBondContact O-CB 3.31Å; L286-M290 WeakPolarHBondContact O-CG 3.4Å; L286-M290 PolarHBondContact O-N 2.84Å; L286-M290 VanDerWaalsContact O-SD 3.33Å; R287-M290 PolarHBondContact O-N 3.01Å; I288-M290 VanDerWaalsContact C-N 3.34Å; I288-M290 PolarHBondContact O-N 3.49Å
291	L	91.2	Very high	91.1	Very high	63 Å²	63	44 Å²	44	33%	0.33	22%	0.219	S	C	.	.			trans	-137.5	83.4	-171.7	-70.8	172.6	0	0	0	108.9	Y244 R287 I288 C293 T294	Y244-L291 HydrophobicContact CE2-CD1 4.14Å; Y244-L291 WeakPolarHBondContact OH-CD2 3.31Å; R287-L291 CarbonylContact O-C 3.47Å; R287-L291 WeakPolarHBondContact O-CA 3.18Å; R287-L291 PolarHBondContact O-N 3.14Å; I288-L291 CarbonylContact O-C 3.45Å; L291-C293 PolarHBondContact O-N 2.89Å; L291-T294 HydrophobicContact CB-CG2 3.82Å; L291-T294 WeakPolarHBondContact O-CB 3.46Å; L291-T294 WeakPolarHBondContact O-CG2 3.4Å; L291-T294 PolarHBondContact O-N 2.9Å; L291-T294 PolarHBondContact O-OG1 3.25Å
292	P	88.2	Confident	91.2	Very high	58 Å²	58	45.6 Å²	45.6	38%	0.377	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.6	-170.7	-25.8	33.4	0	0	0	114.6	I288 T294 A295 W391	I288-P292 WeakPolarHBondContact O-CA 3.29Å; P292-T294 PolarHBondContact O-N 3.34Å; P292-A295 VanDerWaalsContact O-CB 3.28Å; P292-A295 WeakPolarHBondContact O-CB 3.15Å; P292-A295 PolarHBondContact O-N 2.89Å; P292-A295 VanDerWaalsContact O-N 3.12Å; P292-W391 HydrophobicContact CB-CE3 4.14Å; P292-W391 HydrophobicContact CB-CH2 4.23Å; P292-W391 HydrophobicContact CB-CZ3 3.64Å; P292-W391 HydrophobicContact CG-CD2 4.47Å; P292-W391 HydrophobicContact CG-CE3 3.54Å; P292-W391 HydrophobicContact CG-CZ3 3.56Å
293	C	89	Confident	91.4	Very high	73 Å²	73	42.2 Å²	42.2	49%	0.493	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.3	175	59.7	0	0	0	0	113.1	L291 A295 F296 L297	L291-C293 PolarHBondContact O-N 2.89Å; C293-A295 PolarHBondContact O-N 3.5Å; C293-F296 PolarHBondContact O-N 3.35Å; C293-F296 VanDerWaalsContact O-N 3.15Å; C293-L297 PolarHBondContact O-N 2.9Å
294	T	87.8	Confident	91.5	Very high	17 Å²	17	41.7 Å²	41.7	10%	0.104	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-32	176	59.9	0	0	0	0	112.3	R287 L291 P292 F296 L297 E298 F371	R287-T294 PolarHBondContact O-OG1 2.98Å; L291-T294 HydrophobicContact CB-CG2 3.82Å; L291-T294 WeakPolarHBondContact O-CB 3.46Å; L291-T294 WeakPolarHBondContact O-CG2 3.4Å; L291-T294 PolarHBondContact O-N 2.9Å; L291-T294 PolarHBondContact O-OG1 3.25Å; P292-T294 PolarHBondContact O-N 3.34Å; T294-F296 PolarHBondContact O-N 3.11Å; T294-L297 PolarHBondContact O-N 3.34Å; T294-E298 VanDerWaalsContact CB-OE1 3.3Å; T294-E298 WeakPolarHBondContact CB-OE1 3.37Å; T294-E298 WeakPolarHBondContact CG2-OE1 3.17Å; T294-E298 WeakPolarHBondContact O-CB 3.48Å; T294-E298 WeakPolarHBondContact O-CG 3.38Å; T294-E298 PolarHBondContact O-N 3.4Å; T294-F371 WeakPolarHBondContact O-CZ 3.45Å
295	A	86.5	Confident	91.6	Very high	21 Å²	21	43.5 Å²	43.5	17%	0.174	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-31.4	177	0	0	0	0	0	112.5	I288 P292 C293 F371	I288-A295 HydrophobicContact CG1-CB 4.01Å; I288-A295 HydrophobicContact CG2-CB 4.09Å; P292-A295 VanDerWaalsContact O-CB 3.28Å; P292-A295 WeakPolarHBondContact O-CB 3.15Å; P292-A295 PolarHBondContact O-N 2.89Å; P292-A295 VanDerWaalsContact O-N 3.12Å; C293-A295 PolarHBondContact O-N 3.5Å; A295-F371 WeakPolarHBondContact O-CE1 3.35Å
296	F	87.1	Confident	91.8	Very high	155 Å²	155	41.7 Å²	41.7	68%	0.68	22%	0.218	S	C	*	.	H	α-helix	trans	-92.9	-37.2	179.7	-63.4	-78.4	0	0	0	112.4	C293 T294 F300	C293-F296 PolarHBondContact O-N 3.35Å; C293-F296 VanDerWaalsContact O-N 3.15Å; T294-F296 PolarHBondContact O-N 3.11Å; F296-F300 WeakPolarHBondContact O-CD2 3.45Å; F296-F300 WeakPolarHBondContact O-CE2 3.32Å
297	L	89	Confident	92.1	Very high	82 Å²	82	41 Å²	41	43%	0.429	21%	0.214	S	C	.	.	H	α-helix	trans	-85	-44.5	-173	-65.2	175.7	0	0	0	113	F25 C293 T294 P299 F300 Q301	F25-L297 HydrophobicContact CE2-CD2 4.23Å; C293-L297 PolarHBondContact O-N 2.9Å; T294-L297 PolarHBondContact O-N 3.34Å; L297-P299 VanDerWaalsContact C-CD 3.46Å; L297-F300 PolarHBondContact O-N 2.95Å; L297-F300 VanDerWaalsContact O-N 3.15Å; L297-Q301 WeakPolarHBondContact O-CG 3.47Å
298	E	91	Very high	92.3	Very high	30 Å²	30	42.2 Å²	42.2	14%	0.14	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-57.6	-40.2	-172.3	-71	-171.8	-159.3	0	0	114	R287 T294 F300 Q301 F371	R287-E298 WeakPolarHBondContact CD-OE1 3.33Å; R287-E298 IonicContact CZ-OE1 3.05Å; R287-E298 IonicContact CZ-OE2 3.52Å; R287-E298 IonicContact NE-OE1 2.74Å; R287-E298 PolarHBondContact NE-OE1 3.49Å; R287-E298 IonicContact NE-OE2 3.32Å; R287-E298 PolarHBondContact NE-OE2 3.05Å; R287-E298 IonicContact NH2-OE1 2.88Å; R287-E298 IonicContact NH2-OE2 3.88Å; R287-E298 PolarHBondContact NH2-OE2 3.15Å; T294-E298 VanDerWaalsContact CB-OE1 3.3Å; T294-E298 WeakPolarHBondContact CB-OE1 3.37Å; T294-E298 WeakPolarHBondContact CG2-OE1 3.17Å; T294-E298 WeakPolarHBondContact O-CB 3.48Å; T294-E298 WeakPolarHBondContact O-CG 3.38Å; T294-E298 PolarHBondContact O-N 3.4Å; E298-F300 PolarHBondContact O-N 2.8Å; E298-F300 VanDerWaalsContact O-N 3.11Å; E298-Q301 WeakPolarHBondContact O-CB 3.34Å; E298-Q301 PolarHBondContact O-N 3.45Å; E298-F371 HydrophobicContact CB-CD2 4.22Å; E298-F371 HydrophobicContact CB-CE2 3.36Å; E298-F371 HydrophobicContact CB-CZ 3.63Å; E298-F371 HydrophobicContact CG-CE2 4.16Å; E298-F371 HydrophobicContact CG-CZ 4.41Å; E298-F371 VanDerWaalsContact OE2-CE2 3.3Å; E298-F371 WeakPolarHBondContact OE2-CE2 3.34Å
299	P	89.6	Confident	92.6	Very high	35 Å²	35	44.6 Å²	44.6	23%	0.227	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-58.4	-28.6	178.7	-26.4	35.4	0	0	0	114.6	L297 F371	L297-P299 VanDerWaalsContact C-CD 3.46Å; P299-F371 HydrophobicContact CG-CD1 3.52Å; P299-F371 HydrophobicContact CG-CE1 3.56Å; P299-F371 HydrophobicContact CG-CG 4.08Å; P299-F371 HydrophobicContact CG-CZ 4.2Å
300	F	92.7	Very high	92.9	Very high	90 Å²	90	44.4 Å²	44.4	40%	0.395	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-92.5	0.9	-178	-55.3	-68.3	0	0	0	112.9	F25 F296 L297 E298 V305 L306 L309	F25-F300 HydrophobicContact CE1-CB 3.84Å; F25-F300 WeakPolarHBondContact CE1-O 3.3Å; F25-F300 HydrophobicContact CZ-CB 4.26Å; F296-F300 WeakPolarHBondContact O-CD2 3.45Å; F296-F300 WeakPolarHBondContact O-CE2 3.32Å; L297-F300 PolarHBondContact O-N 2.95Å; L297-F300 VanDerWaalsContact O-N 3.15Å; E298-F300 PolarHBondContact O-N 2.8Å; E298-F300 VanDerWaalsContact O-N 3.11Å; F300-V305 HydrophobicContact CD1-CG1 3.97Å; F300-L306 WeakPolarHBondContact O-CB 3.14Å; F300-L309 HydrophobicContact CD1-CD1 3.5Å; F300-L309 VanDerWaalsContact CD1-CD1 3.5Å; F300-L309 HydrophobicContact CE1-CD1 3.89Å
301	Q	93.5	Very high	93.1	Very high	36 Å²	36	43.5 Å²	43.5	17%	0.168	23%	0.232	C	C	.	.	S	Bend	trans	-89.8	-7.9	-177.4	-71	176.8	2.3	0	0	113.7	F25 Y29 L297 E298 W333	F25-Q301 HydrophobicContact CZ-CG 4.26Å; Y29-Q301 HydrophobicContact CD2-CG 4.16Å; Y29-Q301 WeakPolarHBondContact CE1-O 3.49Å; Y29-Q301 HydrophobicContact CE2-CB 3.77Å; Y29-Q301 HydrophobicContact CE2-CG 3.46Å; Y29-Q301 VanDerWaalsContact CE2-CG 3.46Å; Y29-Q301 WeakPolarHBondContact OH-CB 3.49Å; Y29-Q301 PolarHBondContact OH-O 3.18Å; L297-Q301 WeakPolarHBondContact O-CG 3.47Å; E298-Q301 WeakPolarHBondContact O-CB 3.34Å; E298-Q301 PolarHBondContact O-N 3.45Å; Q301-W333 WeakPolarHBondContact O-CZ2 3.4Å
302	E	94.2	Very high	93.5	Very high	36 Å²	36	45.6 Å²	45.6	17%	0.168	24%	0.243	C	C	.	.	S	Bend	trans	-84.5	146.6	-179.4	-58.2	-62.4	154.8	0	0	111.3	L304 V305 L306 R363 A367	E302-L304 VanDerWaalsContact C-N 3.35Å; E302-L304 PolarHBondContact O-N 2.9Å; E302-V305 PolarHBondContact O-N 2.77Å; E302-L306 WeakPolarHBondContact O-CB 3.43Å; E302-L306 PolarHBondContact O-N 3.42Å; E302-R363 IonicContact OE2-CZ 3.44Å; E302-R363 IonicContact OE2-NH1 3.81Å; E302-R363 PolarHBondContact OE2-NH1 2.73Å; E302-A367 HydrophobicContact CG-CB 3.85Å
303	C	97.3	Very high	93.9	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-56.1	-47.3	-171.9	179.3	0	0	0	0	112.2	G307 H329 W333 W360 E364	C303-G307 WeakPolarHBondContact O-CA 3.48Å; C303-G307 PolarHBondContact O-N 3.14Å; C303-H329 PolarHBondContact O-NE2 2.59Å; C303-W333 HydrophobicContact CB-CB 4.43Å; C303-W333 HydrophobicContact CB-CD2 3.71Å; C303-W333 HydrophobicContact CB-CE3 4.39Å; C303-W333 HydrophobicContact CB-CG 3.74Å; C303-W333 HydrophobicContact CB-CZ2 4.18Å; C303-W333 VanDerWaalsContact SG-CB 3.53Å; C303-W360 HydrophobicContact CB-CH2 3.89Å; C303-W360 HydrophobicContact CB-CZ2 3.89Å; C303-E364 WeakPolarHBondContact CA-OE2 3.4Å; C303-E364 VanDerWaalsContact CB-CD 3.44Å; C303-E364 HydrophobicContact CB-CG 4.47Å; C303-E364 WeakPolarHBondContact CB-OE1 3.43Å; C303-E364 VanDerWaalsContact CB-OE2 3.3Å; C303-E364 WeakPolarHBondContact CB-OE2 3.44Å; C303-E364 PolarHBondContact N-OE1 3.46Å; C303-E364 PolarHBondContact N-OE2 3.37Å
304	L	96.6	Very high	94.3	Very high	29 Å²	29	39.5 Å²	39.5	15%	0.152	20%	0.202	C	C	.	.	H	α-helix	trans	-70	-48.9	-173.3	-61	-180	0	0	0	111.6	E302 G307 I308 F326 E364 L365	E302-L304 VanDerWaalsContact C-N 3.35Å; E302-L304 PolarHBondContact O-N 2.9Å; L304-G307 PolarHBondContact O-N 3.04Å; L304-I308 VanDerWaalsContact O-CG1 3.27Å; L304-I308 WeakPolarHBondContact O-CG1 3.31Å; L304-I308 PolarHBondContact O-N 3.26Å; L304-F326 HydrophobicContact CD2-CZ 3.93Å; L304-E364 HydrophobicContact CD1-CB 3.7Å; L304-E364 HydrophobicContact CG-CB 3.91Å; L304-E364 PolarHBondContact N-OE2 3.26Å; L304-L365 HydrophobicContact CD1-CD2 3.74Å; L304-L365 HydrophobicContact CD1-CG 4.06Å
305	V	95.8	Very high	94.8	Very high	40 Å²	40	40.6 Å²	40.6	24%	0.242	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-50	-179.7	178.5	0	0	0	0	110	F300 E302 G307 I308 L309 P368	F300-V305 HydrophobicContact CD1-CG1 3.97Å; E302-V305 PolarHBondContact O-N 2.77Å; V305-G307 VanDerWaalsContact C-N 3.32Å; V305-G307 PolarHBondContact O-N 3.48Å; V305-I308 PolarHBondContact O-N 2.93Å; V305-L309 HydrophobicContact CG1-CD1 4.27Å; V305-L309 WeakPolarHBondContact O-CG 3.36Å; V305-L309 PolarHBondContact O-N 2.98Å; V305-L309 VanDerWaalsContact O-N 3.14Å; V305-P368 HydrophobicContact CG2-CG 4.08Å
306	L	97.1	Very high	95.3	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-63.2	-40.5	179.3	-172.9	50.3	0	0	0	111.9	F25 W26 Y29 F300 E302 L309 A310 W333	F25-L306 HydrophobicContact CD1-CD1 3.59Å; F25-L306 HydrophobicContact CE1-CD1 3.9Å; F25-L306 HydrophobicContact CE1-CD2 4.44Å; W26-L306 HydrophobicContact CB-CD1 3.98Å; W26-L306 HydrophobicContact CB-CG 4.39Å; Y29-L306 HydrophobicContact CD1-CD2 3.94Å; Y29-L306 HydrophobicContact CG-CD2 4.02Å; F300-L306 WeakPolarHBondContact O-CB 3.14Å; E302-L306 WeakPolarHBondContact O-CB 3.43Å; E302-L306 PolarHBondContact O-N 3.42Å; L306-L309 PolarHBondContact O-N 3.38Å; L306-A310 VanDerWaalsContact O-CB 3.23Å; L306-A310 WeakPolarHBondContact O-CB 3.28Å; L306-A310 PolarHBondContact O-N 3.39Å; L306-W333 HydrophobicContact CD2-CH2 3.85Å; L306-W333 HydrophobicContact CD2-CZ3 3.83Å
307	G	97.9	Very high	95.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.3	-44	178.7	0	0	0	0	0	112.5	C303 L304 V305 A310 A311 H329	C303-G307 WeakPolarHBondContact O-CA 3.48Å; C303-G307 PolarHBondContact O-N 3.14Å; L304-G307 PolarHBondContact O-N 3.04Å; V305-G307 VanDerWaalsContact C-N 3.32Å; V305-G307 PolarHBondContact O-N 3.48Å; G307-A310 PolarHBondContact O-N 3.49Å; G307-A311 WeakPolarHBondContact O-CB 3.27Å; G307-A311 PolarHBondContact O-N 3.3Å; G307-H329 WeakPolarHBondContact CA-CD2 3.23Å; G307-H329 WeakPolarHBondContact CA-NE2 3.43Å
308	I	97.7	Very high	96.2	Very high	88 Å²	88	39.6 Å²	39.6	45%	0.451	20%	0.201	S	C	.	.	H	α-helix	trans	-62.8	-48.5	177.2	-69.7	164.2	0	0	0	110.1	L304 V305 A310 A311 L312 F326	L304-I308 VanDerWaalsContact O-CG1 3.27Å; L304-I308 WeakPolarHBondContact O-CG1 3.31Å; L304-I308 PolarHBondContact O-N 3.26Å; V305-I308 PolarHBondContact O-N 2.93Å; I308-A310 VanDerWaalsContact C-N 3.35Å; I308-A310 PolarHBondContact O-N 3.49Å; I308-A311 PolarHBondContact O-N 3.35Å; I308-L312 HydrophobicContact CG2-CD1 4.13Å; I308-L312 WeakPolarHBondContact O-CG 3.49Å; I308-L312 PolarHBondContact O-N 2.9Å; I308-F326 HydrophobicContact CG1-CD2 4.27Å; I308-F326 HydrophobicContact CG1-CE2 3.81Å; I308-F326 HydrophobicContact CG1-CZ 4.36Å
309	L	97.3	Very high	96.4	Very high	54 Å²	54	46.8 Å²	46.8	28%	0.283	23%	0.234	S	C	.	.	H	α-helix	trans	-62	-43.2	179.8	-66.6	176.8	0	0	0	111.9	F300 V305 L306 L312 A313	F300-L309 HydrophobicContact CD1-CD1 3.5Å; F300-L309 VanDerWaalsContact CD1-CD1 3.5Å; F300-L309 HydrophobicContact CE1-CD1 3.89Å; V305-L309 HydrophobicContact CG1-CD1 4.27Å; V305-L309 WeakPolarHBondContact O-CG 3.36Å; V305-L309 PolarHBondContact O-N 2.98Å; V305-L309 VanDerWaalsContact O-N 3.14Å; L306-L309 PolarHBondContact O-N 3.38Å; L309-L312 PolarHBondContact O-N 3.43Å; L309-A313 VanDerWaalsContact O-CB 3.28Å; L309-A313 WeakPolarHBondContact O-CB 3.23Å; L309-A313 PolarHBondContact O-N 2.97Å
310	A	98.1	Very high	96.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-69.2	-35	177.9	0	0	0	0	0	112.7	W26 L306 G307 I308 S314 F325	W26-A310 HydrophobicContact CB-CB 3.8Å; W26-A310 HydrophobicContact CD2-CB 4.15Å; W26-A310 HydrophobicContact CG-CB 3.49Å; W26-A310 VanDerWaalsContact CG-CB 3.49Å; L306-A310 VanDerWaalsContact O-CB 3.23Å; L306-A310 WeakPolarHBondContact O-CB 3.28Å; L306-A310 PolarHBondContact O-N 3.39Å; G307-A310 PolarHBondContact O-N 3.49Å; I308-A310 VanDerWaalsContact C-N 3.35Å; I308-A310 PolarHBondContact O-N 3.49Å; A310-S314 VanDerWaalsContact O-CB 3.26Å; A310-S314 WeakPolarHBondContact O-CB 3.39Å; A310-S314 PolarHBondContact O-N 3.45Å; A310-S314 PolarHBondContact O-OG 2.83Å; A310-F325 HydrophobicContact CB-CE1 3.69Å; A310-F325 HydrophobicContact CB-CZ 4.15Å
311	A	98.5	Very high	97.1	Very high	5 Å²	5	51.3 Å²	51.3	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-64.3	-44.7	174.6	0	0	0	0	0	111.6	G307 I308 S314 S315 P322 F325 F326	G307-A311 WeakPolarHBondContact O-CB 3.27Å; G307-A311 PolarHBondContact O-N 3.3Å; I308-A311 PolarHBondContact O-N 3.35Å; A311-S314 PolarHBondContact O-OG 2.7Å; A311-S314 VanDerWaalsContact O-OG 3.12Å; A311-S315 WeakPolarHBondContact O-CB 3.49Å; A311-S315 PolarHBondContact O-N 3.49Å; A311-P322 HydrophobicContact CB-CB 4.09Å; A311-P322 WeakPolarHBondContact CB-O 3.3Å; A311-F325 HydrophobicContact CB-CD1 3.84Å; A311-F326 HydrophobicContact CB-CB 4.08Å
312	L	97.9	Very high	97.3	Very high	107 Å²	107	51.7 Å²	51.7	56%	0.56	26%	0.257	S	S	*	.	H	α-helix	trans	-66.1	-44.7	176.2	-66	174.3	0	0	0	111.5	I308 L309 S315 F316	I308-L312 HydrophobicContact CG2-CD1 4.13Å; I308-L312 WeakPolarHBondContact O-CG 3.49Å; I308-L312 PolarHBondContact O-N 2.9Å; L309-L312 PolarHBondContact O-N 3.43Å; L312-S315 PolarHBondContact O-N 3.26Å; L312-F316 PolarHBondContact O-N 2.96Å
313	A	97.8	Very high	97.5	Very high	2 Å²	2	56.4 Å²	56.4	2%	0.017	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-45	178.2	0	0	0	0	0	112.6	C19 C22 F23 L309 S315 F316 L317	C19-A313 HydrophobicContact CB-CB 3.93Å; C19-A313 WeakPolarHBondContact O-CB 3.45Å; C22-A313 HydrophobicContact CB-CB 4.05Å; F23-A313 HydrophobicContact CB-CB 4.44Å; L309-A313 VanDerWaalsContact O-CB 3.28Å; L309-A313 WeakPolarHBondContact O-CB 3.23Å; L309-A313 PolarHBondContact O-N 2.97Å; A313-S315 VanDerWaalsContact C-N 3.34Å; A313-F316 PolarHBondContact O-N 3.45Å; A313-L317 WeakPolarHBondContact O-CB 3.49Å; A313-L317 VanDerWaalsContact O-CG 3.24Å; A313-L317 WeakPolarHBondContact O-CG 3.36Å; A313-L317 PolarHBondContact O-N 3.4Å
314	S	97.8	Very high	97.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-69.2	-32.1	178.8	58.6	0	0	0	0	112.8	A310 A311 F318 Q319	A310-S314 VanDerWaalsContact O-CB 3.26Å; A310-S314 WeakPolarHBondContact O-CB 3.39Å; A310-S314 PolarHBondContact O-N 3.45Å; A310-S314 PolarHBondContact O-OG 2.83Å; A311-S314 PolarHBondContact O-OG 2.7Å; A311-S314 VanDerWaalsContact O-OG 3.12Å; S314-F318 WeakPolarHBondContact O-CA 3.34Å; S314-F318 WeakPolarHBondContact O-CB 3.33Å; S314-F318 PolarHBondContact O-N 2.94Å; S314-Q319 PolarHBondContact O-N 2.82Å
315	S	97.7	Very high	97.6	Very high	41 Å²	41	61.1 Å²	61.1	29%	0.287	31%	0.309	S	S	.	.	H	α-helix	trans	-65	-43.9	171.8	-165.8	0	0	0	0	111.5	A311 L312 A313 Q319 W320	A311-S315 WeakPolarHBondContact O-CB 3.49Å; A311-S315 PolarHBondContact O-N 3.49Å; L312-S315 PolarHBondContact O-N 3.26Å; A313-S315 VanDerWaalsContact C-N 3.34Å; S315-Q319 WeakPolarHBondContact O-CA 3.49Å; S315-Q319 PolarHBondContact O-N 3.4Å; S315-W320 WeakPolarHBondContact CA-O 3.2Å; S315-W320 WeakPolarHBondContact CB-O 3.22Å; S315-W320 PolarHBondContact OG-O 2.91Å
316	F	96.7	Very high	97.7	Very high	104 Å²	104	62 Å²	62	46%	0.456	31%	0.31	S	S	.	.	H	α-helix	trans	-66.4	-45.8	176.7	-175.9	-94.8	0	0	0	112.8	V15 F16 C19 L312 A313	V15-F316 HydrophobicContact CB-CZ 4.46Å; V15-F316 HydrophobicContact CG1-CD1 4.45Å; V15-F316 HydrophobicContact CG1-CD2 4.15Å; V15-F316 HydrophobicContact CG1-CE1 4.14Å; V15-F316 HydrophobicContact CG1-CE2 3.81Å; V15-F316 HydrophobicContact CG1-CG 4.45Å; V15-F316 HydrophobicContact CG1-CZ 3.81Å; F16-F316 HydrophobicContact CB-CE1 4.05Å; F16-F316 HydrophobicContact CD2-CE1 4.12Å; C19-F316 HydrophobicContact CB-CD1 4.08Å; L312-F316 PolarHBondContact O-N 2.96Å; A313-F316 PolarHBondContact O-N 3.45Å
317	L	97.1	Very high	97.8	Very high	40 Å²	40	63.8 Å²	63.8	21%	0.209	33%	0.329	C	S	.	.	H	α-helix	trans	-79.4	-37.6	-173.5	-66.9	171.4	0	0	0	113.7	F16 C19 V20 F23 A313	F16-L317 HydrophobicContact CD2-CD2 3.68Å; F16-L317 HydrophobicContact CE2-CD2 3.53Å; F16-L317 HydrophobicContact CZ-CD2 4.4Å; C19-L317 HydrophobicContact CB-CD1 4.04Å; C19-L317 HydrophobicContact CB-CD2 4.18Å; C19-L317 HydrophobicContact CB-CG 3.94Å; V20-L317 HydrophobicContact CG2-CD1 4.29Å; V20-L317 HydrophobicContact CG2-CD2 3.95Å; F23-L317 HydrophobicContact CB-CD1 4.1Å; A313-L317 WeakPolarHBondContact O-CB 3.49Å; A313-L317 VanDerWaalsContact O-CG 3.24Å; A313-L317 WeakPolarHBondContact O-CG 3.36Å; A313-L317 PolarHBondContact O-N 3.4Å
318	F	97.3	Very high	97.8	Very high	93 Å²	93	66.7 Å²	66.7	41%	0.408	35%	0.353	S	S	.	.	H	α-helix	trans	-124.4	1.7	-168.8	-48.7	-63.2	0	0	0	113.6	F23 S314 W320	F23-F318 HydrophobicContact CD1-CE2 4.14Å; F23-F318 HydrophobicContact CD1-CZ 4.35Å; F23-F318 AromaticContact CD2-CE2 3.95Å; F23-F318 HydrophobicContact CD2-CE2 3.95Å; F23-F318 AromaticContact CE1-CE2 3.88Å; F23-F318 HydrophobicContact CE1-CE2 3.88Å; F23-F318 HydrophobicContact CE1-CZ 4.08Å; F23-F318 HydrophobicContact CE2-CD2 4.36Å; F23-F318 AromaticContact CE2-CE2 3.68Å; F23-F318 HydrophobicContact CE2-CE2 3.68Å; F23-F318 HydrophobicContact CG-CE2 4.18Å; F23-F318 AromaticContact CZ-CE2 3.63Å; F23-F318 HydrophobicContact CZ-CE2 3.63Å; F23-F318 HydrophobicContact CZ-CZ 4.24Å; S314-F318 WeakPolarHBondContact O-CA 3.34Å; S314-F318 WeakPolarHBondContact O-CB 3.33Å; S314-F318 PolarHBondContact O-N 2.94Å; F318-W320 HydrophobicContact CB-CD2 3.97Å; F318-W320 HydrophobicContact CB-CG 3.97Å; F318-W320 HydrophobicContact CB-CZ2 4.36Å; F318-W320 HydrophobicContact CD2-CD2 4.44Å; F318-W320 HydrophobicContact CD2-CE3 4.41Å; F318-W320 HydrophobicContact CD2-CH2 4.45Å; F318-W320 HydrophobicContact CD2-CZ2 4.47Å; F318-W320 HydrophobicContact CD2-CZ3 4.41Å; F318-W320 HydrophobicContact CG-CZ2 4.45Å; F318-W320 VanDerWaalsContact O-CD1 3.28Å; F318-W320 PolarHBondContact O-N 3.35Å
319	Q	96.4	Very high	97.9	Very high	181 Å²	181	62.8 Å²	62.8	85%	0.846	33%	0.333	S	S	*	.			trans	58.6	26.9	-177.1	-53.8	-179.2	8.5	0	0	113.4	S314 S315	S314-Q319 PolarHBondContact O-N 2.82Å; S315-Q319 WeakPolarHBondContact O-CA 3.49Å; S315-Q319 PolarHBondContact O-N 3.4Å
320	W	97.5	Very high	97.9	Very high	126 Å²	126	61.1 Å²	61.1	48%	0.477	33%	0.325	S	S	.	.			trans	-72.5	150.5	174.8	-66.8	-4.8	0	0	0	111	F23 S315 F318 P322 F325	F23-W320 HydrophobicContact CE2-CZ3 4.46Å; S315-W320 WeakPolarHBondContact CA-O 3.2Å; S315-W320 WeakPolarHBondContact CB-O 3.22Å; S315-W320 PolarHBondContact OG-O 2.91Å; F318-W320 HydrophobicContact CB-CD2 3.97Å; F318-W320 HydrophobicContact CB-CG 3.97Å; F318-W320 HydrophobicContact CB-CZ2 4.36Å; F318-W320 HydrophobicContact CD2-CD2 4.44Å; F318-W320 HydrophobicContact CD2-CE3 4.41Å; F318-W320 HydrophobicContact CD2-CH2 4.45Å; F318-W320 HydrophobicContact CD2-CZ2 4.47Å; F318-W320 HydrophobicContact CD2-CZ3 4.41Å; F318-W320 HydrophobicContact CG-CZ2 4.45Å; F318-W320 VanDerWaalsContact O-CD1 3.28Å; F318-W320 PolarHBondContact O-N 3.35Å; W320-P322 WeakPolarHBondContact O-CD 3.36Å; W320-F325 AromaticContact CE3-CD2 3.59Å; W320-F325 HydrophobicContact CE3-CD2 3.59Å; W320-F325 AromaticContact CE3-CE2 3.85Å; W320-F325 HydrophobicContact CE3-CE2 3.85Å; W320-F325 AromaticContact CZ3-CD2 3.93Å; W320-F325 HydrophobicContact CZ3-CD2 3.93Å; W320-F325 AromaticContact CZ3-CE2 3.73Å; W320-F325 HydrophobicContact CZ3-CE2 3.73Å
321	N	98	Very high	97.9	Very high	93 Å²	93	66.4 Å²	66.4	50%	0.497	35%	0.352	S	S	.	.			trans	-70.3	117.1	173.7	-176.3	-54.6	0	0	0	109.4	I323 V324 F325	N321-I323 VanDerWaalsContact C-N 3.31Å; N321-I323 PolarHBondContact O-N 3.03Å; N321-I323 WeakPolarHBondContact OD1-CB 3.4Å; N321-I323 PolarHBondContact OD1-N 3.02Å; N321-V324 HydrophobicContact CB-CB 4.2Å; N321-V324 HydrophobicContact CB-CG2 4.07Å; N321-V324 PolarHBondContact O-N 3.39Å; N321-V324 PolarHBondContact OD1-N 3.02Å; N321-F325 WeakPolarHBondContact O-CB 3.33Å; N321-F325 PolarHBondContact O-N 3.29Å
322	P	97.8	Very high	97.9	Very high	44 Å²	44	67.9 Å²	67.9	29%	0.286	36%	0.364	S	S	.	.	H	α-helix	trans	-67.1	-30.6	-173.1	25.6	-33.7	0	0	0	112.8	A311 W320 F326	A311-P322 HydrophobicContact CB-CB 4.09Å; A311-P322 WeakPolarHBondContact CB-O 3.3Å; W320-P322 WeakPolarHBondContact O-CD 3.36Å; P322-F326 WeakPolarHBondContact O-CB 3.37Å; P322-F326 PolarHBondContact O-N 3.48Å
323	I	98.2	Very high	97.9	Very high	135 Å²	135	62.8 Å²	62.8	69%	0.692	34%	0.337	S	S	*	.	H	α-helix	trans	-69.2	-46.1	179.3	-60.1	174.1	0	0	0	110	N321 F326 G327	N321-I323 VanDerWaalsContact C-N 3.31Å; N321-I323 PolarHBondContact O-N 3.03Å; N321-I323 WeakPolarHBondContact OD1-CB 3.4Å; N321-I323 PolarHBondContact OD1-N 3.02Å; I323-F326 PolarHBondContact O-N 2.89Å; I323-G327 PolarHBondContact O-N 3.12Å
324	V	98.4	Very high	97.9	Very high	103 Å²	103	64.9 Å²	64.9	62%	0.624	35%	0.348	S	S	*	.	H	α-helix	trans	-64	-45	177.9	177.9	0	0	0	0	110.3	N321 G327 A328	N321-V324 HydrophobicContact CB-CB 4.2Å; N321-V324 HydrophobicContact CB-CG2 4.07Å; N321-V324 PolarHBondContact O-N 3.39Å; N321-V324 PolarHBondContact OD1-N 3.02Å; V324-G327 PolarHBondContact O-N 3.02Å; V324-A328 WeakPolarHBondContact O-CB 3.32Å; V324-A328 PolarHBondContact O-N 3.24Å
325	F	98.5	Very high	97.8	Very high	25 Å²	25	68.1 Å²	68.1	11%	0.11	37%	0.368	C	S	.	.	H	α-helix	trans	-59.4	-49.4	176.8	-177.4	-85.4	0	0	0	111.6	W26 A310 A311 W320 N321 G327 A328 H329	W26-F325 HydrophobicContact CD2-CZ 4.28Å; W26-F325 AromaticContact CE2-CZ 3.68Å; W26-F325 HydrophobicContact CH2-CE2 4.24Å; W26-F325 AromaticContact CH2-CZ 3.98Å; W26-F325 HydrophobicContact CH2-CZ 3.98Å; W26-F325 HydrophobicContact CZ2-CE1 4.45Å; W26-F325 HydrophobicContact CZ2-CE2 4.12Å; W26-F325 AromaticContact CZ2-CZ 3.54Å; W26-F325 HydrophobicContact CZ2-CZ 3.54Å; W26-F325 HydrophobicContact CZ3-CZ 4.49Å; A310-F325 HydrophobicContact CB-CE1 3.69Å; A310-F325 HydrophobicContact CB-CZ 4.15Å; A311-F325 HydrophobicContact CB-CD1 3.84Å; W320-F325 AromaticContact CE3-CD2 3.59Å; W320-F325 HydrophobicContact CE3-CD2 3.59Å; W320-F325 AromaticContact CE3-CE2 3.85Å; W320-F325 HydrophobicContact CE3-CE2 3.85Å; W320-F325 AromaticContact CZ3-CD2 3.93Å; W320-F325 HydrophobicContact CZ3-CD2 3.93Å; W320-F325 AromaticContact CZ3-CE2 3.73Å; W320-F325 HydrophobicContact CZ3-CE2 3.73Å; N321-F325 WeakPolarHBondContact O-CB 3.33Å; N321-F325 PolarHBondContact O-N 3.29Å; F325-G327 VanDerWaalsContact C-N 3.34Å; F325-G327 PolarHBondContact O-N 2.85Å; F325-A328 PolarHBondContact O-N 3.44Å; F325-H329 HydrophobicContact CE1-CB 4.44Å; F325-H329 WeakPolarHBondContact O-CB 3.17Å; F325-H329 PolarHBondContact O-N 3.44Å
326	F	98.5	Very high	97.8	Very high	60 Å²	60	69 Å²	69	26%	0.263	37%	0.367	S	S	.	.	H	α-helix	trans	-61.1	-42	179.5	-179.2	-105.1	0	0	0	112.3	L304 I308 A311 P322 I323 T330	L304-F326 HydrophobicContact CD2-CZ 3.93Å; I308-F326 HydrophobicContact CG1-CD2 4.27Å; I308-F326 HydrophobicContact CG1-CE2 3.81Å; I308-F326 HydrophobicContact CG1-CZ 4.36Å; A311-F326 HydrophobicContact CB-CB 4.08Å; P322-F326 WeakPolarHBondContact O-CB 3.37Å; P322-F326 PolarHBondContact O-N 3.48Å; I323-F326 PolarHBondContact O-N 2.89Å; F326-T330 WeakPolarHBondContact O-CB 3.37Å; F326-T330 PolarHBondContact O-N 2.87Å; F326-T330 PolarHBondContact O-OG1 2.84Å
327	G	98.4	Very high	97.8	Very high	38 Å²	38	64.1 Å²	64.1	39%	0.392	35%	0.345	S	S	.	.	H	α-helix	trans	-62.1	-46.7	175.9	0	0	0	0	0	112.5	I323 V324 F325 T330 L331	I323-G327 PolarHBondContact O-N 3.12Å; V324-G327 PolarHBondContact O-N 3.02Å; F325-G327 VanDerWaalsContact C-N 3.34Å; F325-G327 PolarHBondContact O-N 2.85Å; G327-T330 PolarHBondContact O-N 3.25Å; G327-L331 WeakPolarHBondContact O-CB 3.5Å; G327-L331 PolarHBondContact O-N 3Å
328	A	98.4	Very high	97.7	Very high	61 Å²	61	66.6 Å²	66.6	50%	0.504	35%	0.353	S	S	.	.	H	α-helix	trans	-64.1	-44.5	177.4	0	0	0	0	0	112.2	V324 F325 L331 A332	V324-A328 WeakPolarHBondContact O-CB 3.32Å; V324-A328 PolarHBondContact O-N 3.24Å; F325-A328 PolarHBondContact O-N 3.44Å; A328-L331 PolarHBondContact O-N 3.33Å; A328-A332 WeakPolarHBondContact O-CB 3.32Å; A328-A332 PolarHBondContact O-N 2.87Å
329	H	98.4	Very high	97.7	Very high	7 Å²	7	65.6 Å²	65.6	3%	0.032	35%	0.351	C	S	.	.	H	α-helix	trans	-57.2	-51.1	174.8	167.3	84.1	0	0	0	111.6	W26 W30 C303 G307 F325 L331 A332 W333	W26-H329 AromaticContact CD1-CE1 3.77Å; W26-H329 AromaticContact CD1-ND1 3.71Å; W26-H329 AromaticContact NE1-CE1 3.47Å; W26-H329 PolarHBondContact NE1-CE1 3.08Å; W26-H329 AromaticContact NE1-CG 4Å; W26-H329 AromaticContact NE1-ND1 2.94Å; W26-H329 PolarHBondContact NE1-ND1 3.29Å; W30-H329 AromaticContact CE2-ND1 3.92Å; W30-H329 AromaticContact CZ2-ND1 3.65Å; W30-H329 AromaticContact NE1-ND1 3.62Å; C303-H329 PolarHBondContact O-NE2 2.59Å; G307-H329 WeakPolarHBondContact CA-CD2 3.23Å; G307-H329 WeakPolarHBondContact CA-NE2 3.43Å; F325-H329 HydrophobicContact CE1-CB 4.44Å; F325-H329 WeakPolarHBondContact O-CB 3.17Å; F325-H329 PolarHBondContact O-N 3.44Å; H329-L331 PolarHBondContact O-N 3.35Å; H329-A332 PolarHBondContact O-N 2.75Å; H329-W333 AromaticContact CE1-CE3 3.31Å; H329-W333 AromaticContact CE1-CZ3 3.54Å; H329-W333 AromaticContact NE2-CE3 3.68Å; H329-W333 WeakPolarHBondContact O-CB 3.37Å; H329-W333 PolarHBondContact O-N 2.89Å
330	T	98.2	Very high	97.7	Very high	19 Å²	19	57 Å²	57	12%	0.117	31%	0.31	C	S	.	.	H	α-helix	trans	-63.9	-42.1	-177.5	-56	0	0	0	0	111.3	F326 G327 W333 L334 W360	F326-T330 WeakPolarHBondContact O-CB 3.37Å; F326-T330 PolarHBondContact O-N 2.87Å; F326-T330 PolarHBondContact O-OG1 2.84Å; G327-T330 PolarHBondContact O-N 3.25Å; T330-W333 PolarHBondContact O-N 3.43Å; T330-L334 WeakPolarHBondContact O-CB 3.34Å; T330-L334 PolarHBondContact O-N 3.02Å; T330-W360 HydrophobicContact CG2-CH2 4.17Å; T330-W360 HydrophobicContact CG2-CZ3 4.38Å
331	L	97.9	Very high	97.6	Very high	111 Å²	111	51.2 Å²	51.2	58%	0.581	29%	0.289	S	S	*	.	H	α-helix	trans	-63.3	-48.2	176.5	179	61.7	0	0	0	111.6	G327 A328 H329 W333 L334 V335	G327-L331 WeakPolarHBondContact O-CB 3.5Å; G327-L331 PolarHBondContact O-N 3Å; A328-L331 PolarHBondContact O-N 3.33Å; H329-L331 PolarHBondContact O-N 3.35Å; L331-W333 VanDerWaalsContact C-N 3.26Å; L331-W333 PolarHBondContact O-N 3.31Å; L331-L334 PolarHBondContact O-N 2.88Å; L331-V335 WeakPolarHBondContact O-CG2 3.3Å; L331-V335 PolarHBondContact O-N 3.38Å
332	A	98.2	Very high	97.5	Very high	35 Å²	35	49 Å²	49	29%	0.289	28%	0.277	S	S	.	.	H	α-helix	trans	-59.7	-40.6	177.3	0	0	0	0	0	111.2	W30 A328 H329 V335 F336	W30-A332 HydrophobicContact CH2-CB 3.71Å; W30-A332 HydrophobicContact CZ2-CB 4.19Å; A328-A332 WeakPolarHBondContact O-CB 3.32Å; A328-A332 PolarHBondContact O-N 2.87Å; H329-A332 PolarHBondContact O-N 2.75Å; A332-V335 PolarHBondContact O-N 3.43Å; A332-F336 VanDerWaalsContact O-CD2 3.29Å; A332-F336 WeakPolarHBondContact O-CD2 3.4Å; A332-F336 PolarHBondContact O-N 3.45Å
333	W	98.2	Very high	97.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.6	-44.7	-178.1	-165	-66	0	0	0	111	Y29 W30 Q301 C303 L306 H329 T330 L331 V335 F336 D337 W360	Y29-W333 AromaticContact CD1-CH2 3.35Å; Y29-W333 HydrophobicContact CD1-CH2 3.35Å; Y29-W333 HydrophobicContact CD1-CZ2 4.16Å; Y29-W333 AromaticContact CD1-CZ3 3.96Å; Y29-W333 HydrophobicContact CD1-CZ3 3.96Å; Y29-W333 AromaticContact CE1-CH2 3.34Å; Y29-W333 HydrophobicContact CE1-CH2 3.34Å; Y29-W333 AromaticContact CE1-CZ2 3.7Å; Y29-W333 HydrophobicContact CE1-CZ2 3.7Å; Y29-W333 HydrophobicContact CE1-CZ3 4.34Å; W30-W333 HydrophobicContact CH2-CB 4.02Å; W30-W333 HydrophobicContact CH2-CE3 4.14Å; W30-W333 HydrophobicContact CZ2-CB 4.42Å; W30-W333 AromaticContact CZ2-CE3 3.88Å; W30-W333 HydrophobicContact CZ2-CE3 3.88Å; Q301-W333 WeakPolarHBondContact O-CZ2 3.4Å; C303-W333 HydrophobicContact CB-CB 4.43Å; C303-W333 HydrophobicContact CB-CD2 3.71Å; C303-W333 HydrophobicContact CB-CE3 4.39Å; C303-W333 HydrophobicContact CB-CG 3.74Å; C303-W333 HydrophobicContact CB-CZ2 4.18Å; C303-W333 VanDerWaalsContact SG-CB 3.53Å; L306-W333 HydrophobicContact CD2-CH2 3.85Å; L306-W333 HydrophobicContact CD2-CZ3 3.83Å; H329-W333 AromaticContact CE1-CE3 3.31Å; H329-W333 AromaticContact CE1-CZ3 3.54Å; H329-W333 AromaticContact NE2-CE3 3.68Å; H329-W333 WeakPolarHBondContact O-CB 3.37Å; H329-W333 PolarHBondContact O-N 2.89Å; T330-W333 PolarHBondContact O-N 3.43Å; L331-W333 VanDerWaalsContact C-N 3.26Å; L331-W333 PolarHBondContact O-N 3.31Å; W333-V335 VanDerWaalsContact C-N 3.32Å; W333-V335 PolarHBondContact O-N 3.35Å; W333-F336 PolarHBondContact O-N 3Å; W333-D337 PolarHBondContact NE1-OD2 3.44Å; W333-D337 WeakPolarHBondContact O-CB 3.34Å; W333-D337 PolarHBondContact O-N 3.45Å; W333-W360 AromaticContact CD1-CZ2 3.79Å
334	L	97.2	Very high	97.3	Very high	46 Å²	46	42 Å²	42	24%	0.241	24%	0.239	C	C	.	.	H	α-helix	trans	-58.7	-43.2	174.7	-179.5	70.2	0	0	0	111.6	T330 L331 D337 Y338 L357 W360	T330-L334 WeakPolarHBondContact O-CB 3.34Å; T330-L334 PolarHBondContact O-N 3.02Å; L331-L334 PolarHBondContact O-N 2.88Å; L334-D337 PolarHBondContact O-N 2.93Å; L334-Y338 VanDerWaalsContact O-CB 3.28Å; L334-Y338 WeakPolarHBondContact O-CB 3.37Å; L334-Y338 PolarHBondContact O-N 3Å; L334-L357 HydrophobicContact CD1-CD1 3.79Å; L334-L357 HydrophobicContact CD2-CD1 3.53Å; L334-L357 HydrophobicContact CG-CD1 4.31Å; L334-W360 HydrophobicContact CD1-CB 4.46Å; L334-W360 HydrophobicContact CD1-CD2 3.72Å; L334-W360 HydrophobicContact CD1-CE3 4.05Å; L334-W360 HydrophobicContact CD1-CG 3.88Å
335	V	96.7	Very high	97	Very high	69 Å²	69	37.9 Å²	37.9	42%	0.418	21%	0.212	S	C	.	.	H	α-helix	trans	-62.4	-45.4	177.3	169.1	0	0	0	0	111.1	L331 A332 W333 Y338 I339	L331-V335 WeakPolarHBondContact O-CG2 3.3Å; L331-V335 PolarHBondContact O-N 3.38Å; A332-V335 PolarHBondContact O-N 3.43Å; W333-V335 VanDerWaalsContact C-N 3.32Å; W333-V335 PolarHBondContact O-N 3.35Å; V335-Y338 WeakPolarHBondContact O-CB 3.28Å; V335-Y338 PolarHBondContact O-N 3.39Å; V335-I339 HydrophobicContact CG1-CD1 3.92Å; V335-I339 VanDerWaalsContact O-CG1 3.29Å; V335-I339 WeakPolarHBondContact O-CG1 3.36Å; V335-I339 PolarHBondContact O-N 2.65Å
336	F	98	Very high	96.5	Very high	59 Å²	59	41.3 Å²	41.3	26%	0.259	23%	0.232	S	C	.	.	H	α-helix	trans	-68.3	-40.8	179.8	-85	-132.5	0	0	0	111.9	W30 H33 L34 I37 A332 W333 Y338 I339 L340	W30-F336 HydrophobicContact CE3-CD1 4.36Å; W30-F336 HydrophobicContact CE3-CE1 4.37Å; W30-F336 AromaticContact CZ3-CD1 3.89Å; W30-F336 HydrophobicContact CZ3-CD1 3.89Å; W30-F336 HydrophobicContact CZ3-CD2 4.38Å; W30-F336 HydrophobicContact CZ3-CE1 4.16Å; W30-F336 HydrophobicContact CZ3-CG 4.03Å; H33-F336 WeakPolarHBondContact CE1-CB 3.49Å; H33-F336 VanDerWaalsContact NE2-CB 3.28Å; H33-F336 WeakPolarHBondContact NE2-CB 3.43Å; L34-F336 HydrophobicContact CD1-CE1 4.34Å; I37-F336 HydrophobicContact CD1-CB 3.83Å; I37-F336 HydrophobicContact CD1-CD1 3.52Å; I37-F336 HydrophobicContact CD1-CE1 4.32Å; I37-F336 HydrophobicContact CD1-CG 3.87Å; A332-F336 VanDerWaalsContact O-CD2 3.29Å; A332-F336 WeakPolarHBondContact O-CD2 3.4Å; A332-F336 PolarHBondContact O-N 3.45Å; W333-F336 PolarHBondContact O-N 3Å; F336-Y338 VanDerWaalsContact C-N 3.29Å; F336-Y338 PolarHBondContact O-N 3.46Å; F336-I339 PolarHBondContact O-N 2.97Å; F336-L340 WeakPolarHBondContact O-CB 3.49Å; F336-L340 PolarHBondContact O-N 2.64Å
337	D	97	Very high	95.7	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-40	173.3	-88.6	-7.1	0	0	0	111.1	H33 T198 R202 W333 L334 L340 L341 W360 R363	H33-D337 IonicContact CE1-OD1 3.9Å; H33-D337 IonicContact NE2-OD1 3.39Å; H33-D337 PolarHBondContact NE2-OD1 3.38Å; T198-D337 HydrophobicContact CG2-CB 3.65Å; R202-D337 IonicContact CZ-OD1 3.01Å; R202-D337 IonicContact NH1-OD1 3.72Å; R202-D337 PolarHBondContact NH1-OD1 3.07Å; R202-D337 IonicContact NH2-OD1 3.77Å; R202-D337 PolarHBondContact NH2-OD1 3.16Å; R202-D337 IonicContact NH2-OD2 2.82Å; W333-D337 PolarHBondContact NE1-OD2 3.44Å; W333-D337 WeakPolarHBondContact O-CB 3.34Å; W333-D337 PolarHBondContact O-N 3.45Å; L334-D337 PolarHBondContact O-N 2.93Å; D337-L340 PolarHBondContact O-N 2.95Å; D337-L341 VanDerWaalsContact O-CB 3.27Å; D337-L341 WeakPolarHBondContact O-CB 3.38Å; D337-L341 PolarHBondContact O-N 3.34Å; D337-W360 PolarHBondContact OD2-NE1 2.87Å; D337-R363 IonicContact OD2-NH2 2.65Å; D337-R363 PolarHBondContact OD2-NH2 3.32Å
338	Y	95.4	Very high	94.7	Very high	93 Å²	93	45 Å²	45	37%	0.365	26%	0.257	S	S	.	.	H	α-helix	trans	-63.9	-45.1	174.3	-177.4	-97.8	0	0	0	111.6	L334 V335 F336 L340 L341 N342 L349	L334-Y338 VanDerWaalsContact O-CB 3.28Å; L334-Y338 WeakPolarHBondContact O-CB 3.37Å; L334-Y338 PolarHBondContact O-N 3Å; V335-Y338 WeakPolarHBondContact O-CB 3.28Å; V335-Y338 PolarHBondContact O-N 3.39Å; F336-Y338 VanDerWaalsContact C-N 3.29Å; F336-Y338 PolarHBondContact O-N 3.46Å; Y338-L340 PolarHBondContact O-N 2.94Å; Y338-L341 PolarHBondContact O-N 3.34Å; Y338-N342 WeakPolarHBondContact CD1-ND2 3.36Å; Y338-N342 WeakPolarHBondContact CE1-ND2 3.13Å; Y338-N342 VanDerWaalsContact CZ-ND2 3.29Å; Y338-N342 PolarHBondContact O-N 3.35Å; Y338-N342 PolarHBondContact O-ND2 2.95Å; Y338-L349 HydrophobicContact CD2-CD1 4.03Å; Y338-L349 HydrophobicContact CE2-CD1 3.33Å
339	I	96	Very high	93.8	Very high	71 Å²	71	43.5 Å²	43.5	36%	0.364	24%	0.241	S	C	.	.	H	α-helix	trans	-59.4	-47.6	175.7	-70	164.3	0	0	0	110.4	I37 V335 F336 L341 N342 I343	I37-I339 HydrophobicContact CD1-CG2 4.35Å; I37-I339 HydrophobicContact CG2-CG2 3.99Å; V335-I339 HydrophobicContact CG1-CD1 3.92Å; V335-I339 VanDerWaalsContact O-CG1 3.29Å; V335-I339 WeakPolarHBondContact O-CG1 3.36Å; V335-I339 PolarHBondContact O-N 2.65Å; F336-I339 PolarHBondContact O-N 2.97Å; I339-L341 PolarHBondContact O-N 2.98Å; I339-N342 PolarHBondContact O-N 3.08Å; I339-I343 HydrophobicContact CG2-CD1 3.81Å; I339-I343 WeakPolarHBondContact O-CG1 3.48Å; I339-I343 PolarHBondContact O-N 3.32Å
340	L	97.1	Very high	92.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-45.6	179.9	-176.6	58.3	0	0	0	111.6	I37 A201 R202 L205 F336 D337 Y338 N342 I343 I344	I37-L340 HydrophobicContact CG1-CB 4.06Å; I37-L340 HydrophobicContact CG1-CD1 4.21Å; A201-L340 HydrophobicContact CB-CD2 4.48Å; R202-L340 HydrophobicContact CB-CD2 4.02Å; L205-L340 HydrophobicContact CD1-CD1 3.79Å; F336-L340 WeakPolarHBondContact O-CB 3.49Å; F336-L340 PolarHBondContact O-N 2.64Å; D337-L340 PolarHBondContact O-N 2.95Å; Y338-L340 PolarHBondContact O-N 2.94Å; L340-N342 VanDerWaalsContact C-N 3.33Å; L340-N342 PolarHBondContact O-N 3.08Å; L340-I343 WeakPolarHBondContact O-CB 3.43Å; L340-I343 PolarHBondContact O-N 3.13Å; L340-I344 HydrophobicContact CD1-CD1 4.01Å; L340-I344 HydrophobicContact CD1-CG1 4.44Å; L340-I344 HydrophobicContact CG-CD1 3.86Å; L340-I344 WeakPolarHBondContact O-CD1 3.43Å; L340-I344 WeakPolarHBondContact O-CG1 3.27Å; L340-I344 PolarHBondContact O-N 3.03Å
341	L	96	Very high	91.8	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.031	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-42.8	177.1	177.3	63.2	0	0	0	111.8	F180 K193 D337 Y338 I339 I344 Q345 L349 L356	F180-L341 HydrophobicContact CE2-CD1 3.82Å; F180-L341 HydrophobicContact CZ-CD1 3.87Å; K193-L341 HydrophobicContact CG-CD1 3.99Å; D337-L341 VanDerWaalsContact O-CB 3.27Å; D337-L341 WeakPolarHBondContact O-CB 3.38Å; D337-L341 PolarHBondContact O-N 3.34Å; Y338-L341 PolarHBondContact O-N 3.34Å; I339-L341 PolarHBondContact O-N 2.98Å; L341-I344 PolarHBondContact O-N 2.95Å; L341-Q345 WeakPolarHBondContact O-CB 3.46Å; L341-Q345 PolarHBondContact O-N 3.04Å; L341-L349 HydrophobicContact CD1-CD2 4.5Å; L341-L349 HydrophobicContact CD2-CD1 4.39Å; L341-L349 HydrophobicContact CD2-CD2 3.8Å; L341-L349 HydrophobicContact CG-CD2 3.81Å; L341-L356 HydrophobicContact CD2-CD1 4.43Å; L341-L356 HydrophobicContact CD2-CD2 3.85Å
342	N	94.5	Very high	91.2	Very high	47 Å²	47	43.6 Å²	43.6	25%	0.251	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-41.2	176.2	-79.7	-84	0	0	0	112.1	Y338 I339 L340 I344 Q345 D346 L349	Y338-N342 WeakPolarHBondContact CD1-ND2 3.36Å; Y338-N342 WeakPolarHBondContact CE1-ND2 3.13Å; Y338-N342 VanDerWaalsContact CZ-ND2 3.29Å; Y338-N342 PolarHBondContact O-N 3.35Å; Y338-N342 PolarHBondContact O-ND2 2.95Å; I339-N342 PolarHBondContact O-N 3.08Å; L340-N342 VanDerWaalsContact C-N 3.33Å; L340-N342 PolarHBondContact O-N 3.08Å; N342-I344 VanDerWaalsContact C-N 3.29Å; N342-I344 PolarHBondContact O-N 2.95Å; N342-Q345 PolarHBondContact O-N 3.42Å; N342-D346 PolarHBondContact O-N 3.45Å; N342-D346 VanDerWaalsContact O-N 3.13Å; N342-L349 WeakPolarHBondContact ND2-CD1 3.46Å; N342-L349 WeakPolarHBondContact OD1-CD1 3.06Å
343	I	95.9	Very high	90.8	Very high	31 Å²	31	49.6 Å²	49.6	16%	0.159	27%	0.274	C	S	.	.	H	α-helix	trans	-59.4	-42.7	176	-71	162.7	0	0	0	110.8	I37 K41 L44 H45 I339 L340	I37-I343 HydrophobicContact CG2-CD1 3.8Å; K41-I343 HydrophobicContact CB-CD1 4.1Å; K41-I343 HydrophobicContact CB-CG2 4.46Å; L44-I343 HydrophobicContact CD1-CG2 4.42Å; H45-I343 PolarHBondContact CD2-O 3.1Å; H45-I343 PolarHBondContact NE2-O 3.48Å; I339-I343 HydrophobicContact CG2-CD1 3.81Å; I339-I343 WeakPolarHBondContact O-CG1 3.48Å; I339-I343 PolarHBondContact O-N 3.32Å; L340-I343 WeakPolarHBondContact O-CB 3.43Å; L340-I343 PolarHBondContact O-N 3.13Å
344	I	95.8	Very high	90.6	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-73.4	-38.1	-177.2	-64.6	160.5	0	0	0	111.3	L44 H45 L178 F180 G197 A201 L340 L341 N342	L44-I344 HydrophobicContact CD1-CG1 3.86Å; H45-I344 PolarHBondContact CE1-O 3.37Å; H45-I344 PolarHBondContact NE2-O 2.89Å; L178-I344 HydrophobicContact CD2-CD1 4.08Å; L178-I344 HydrophobicContact CD2-CG1 3.83Å; L178-I344 HydrophobicContact CD2-CG2 3.91Å; F180-I344 HydrophobicContact CB-CG2 4.16Å; F180-I344 HydrophobicContact CD1-CG2 3.99Å; F180-I344 HydrophobicContact CD2-CG2 3.54Å; F180-I344 HydrophobicContact CE1-CG2 4.27Å; F180-I344 HydrophobicContact CE2-CG2 3.87Å; F180-I344 HydrophobicContact CG-CG2 3.62Å; F180-I344 HydrophobicContact CZ-CG2 4.21Å; G197-I344 WeakPolarHBondContact O-CD1 3.28Å; A201-I344 HydrophobicContact CB-CD1 3.22Å; A201-I344 HydrophobicContact CB-CG1 4.46Å; L340-I344 HydrophobicContact CD1-CD1 4.01Å; L340-I344 HydrophobicContact CD1-CG1 4.44Å; L340-I344 HydrophobicContact CG-CD1 3.86Å; L340-I344 WeakPolarHBondContact O-CD1 3.43Å; L340-I344 WeakPolarHBondContact O-CG1 3.27Å; L340-I344 PolarHBondContact O-N 3.03Å; L341-I344 PolarHBondContact O-N 2.95Å; N342-I344 VanDerWaalsContact C-N 3.29Å; N342-I344 PolarHBondContact O-N 2.95Å
345	Q	93.6	Very high	90.4	Very high	16 Å²	16	56.9 Å²	56.9	8%	0.075	31%	0.313	C	S	.	.	H	α-helix	trans	-71.2	-30.5	-178.8	177.4	149.5	-32.7	0	0	113.1	F180 L341 N342 S347 C348	F180-Q345 HydrophobicContact CE1-CB 4.05Å; F180-Q345 HydrophobicContact CE1-CG 4.49Å; F180-Q345 HydrophobicContact CZ-CB 4.14Å; L341-Q345 WeakPolarHBondContact O-CB 3.46Å; L341-Q345 PolarHBondContact O-N 3.04Å; N342-Q345 PolarHBondContact O-N 3.42Å; Q345-S347 VanDerWaalsContact CG-OG 3.3Å; Q345-S347 WeakPolarHBondContact CG-OG 3.44Å; Q345-S347 PolarHBondContact NE2-OG 3.42Å; Q345-S347 PolarHBondContact O-N 3.36Å; Q345-S347 VanDerWaalsContact O-N 3.12Å; Q345-C348 PolarHBondContact NE2-O 2.87Å
346	D	88.1	Confident	90.1	Very high	97 Å²	97	54.1 Å²	54.1	52%	0.519	30%	0.296	S	S	.	.			trans	59.4	15.8	-178.9	-156.6	36.3	0	0	0	114.9	H45 N342	H45-D346 HydrophobicContact CB-CB 4.36Å; H45-D346 WeakPolarHBondContact CB-OD2 3.41Å; H45-D346 IonicContact CD2-OD1 2.74Å; H45-D346 IonicContact CG-OD1 3.5Å; H45-D346 IonicContact CG-OD2 3.31Å; H45-D346 IonicContact ND1-OD2 2.69Å; N342-D346 PolarHBondContact O-N 3.45Å; N342-D346 VanDerWaalsContact O-N 3.13Å
347	S	81.6	Confident	90	Very high	59 Å²	59	54.3 Å²	54.3	41%	0.413	30%	0.299	S	S	.	.	S	Bend	trans	-153.6	167.9	-178.4	69.7	0	0	0	0	109.9	Q345 L349	Q345-S347 VanDerWaalsContact CG-OG 3.3Å; Q345-S347 WeakPolarHBondContact CG-OG 3.44Å; Q345-S347 PolarHBondContact NE2-OG 3.42Å; Q345-S347 PolarHBondContact O-N 3.36Å; Q345-S347 VanDerWaalsContact O-N 3.12Å; S347-L349 PolarHBondContact O-N 3.4Å
348	C	76.7	Confident	90	Very high	115 Å²	115	57.9 Å²	57.9	78%	0.777	32%	0.32	S	S	*	.			trans	-56	133.7	171.9	-67.9	0	0	0	0	109.9	Q345 T350	Q345-C348 PolarHBondContact NE2-O 2.87Å; C348-T350 PolarHBondContact O-N 2.99Å
349	L	78.5	Confident	90.1	Very high	30 Å²	30	53.4 Å²	53.4	16%	0.157	30%	0.303	C	S	.	.			trans	-58.9	122.3	174.3	-71.1	163.5	0	0	0	109.6	Y338 L341 N342 S347 C351 L356	Y338-L349 HydrophobicContact CD2-CD1 4.03Å; Y338-L349 HydrophobicContact CE2-CD1 3.33Å; L341-L349 HydrophobicContact CD1-CD2 4.5Å; L341-L349 HydrophobicContact CD2-CD1 4.39Å; L341-L349 HydrophobicContact CD2-CD2 3.8Å; L341-L349 HydrophobicContact CG-CD2 3.81Å; N342-L349 WeakPolarHBondContact ND2-CD1 3.46Å; N342-L349 WeakPolarHBondContact OD1-CD1 3.06Å; S347-L349 PolarHBondContact O-N 3.4Å; L349-C351 VanDerWaalsContact C-N 3.31Å; L349-L356 HydrophobicContact CB-CD1 4.2Å; L349-L356 HydrophobicContact CD1-CD1 3.75Å; L349-L356 HydrophobicContact CD2-CD1 4.3Å; L349-L356 HydrophobicContact CG-CD1 4.31Å
350	T	76	Confident	90.1	Very high	86 Å²	86	50.4 Å²	50.4	53%	0.528	29%	0.287	S	S	.	.	S	Bend	trans	-78.2	-17	-176.3	47.5	0	0	0	0	113.2	D183 K193 C348	D183-T350 HydrophobicContact CB-CG2 4.35Å; D183-T350 WeakPolarHBondContact OD1-CG2 3.02Å; D183-T350 PolarHBondContact OD1-OG1 2.9Å; K193-T350 PolarHBondContact NZ-OG1 3.38Å; C348-T350 PolarHBondContact O-N 2.99Å
351	C	80	Confident	90.1	Very high	17 Å²	17	54.3 Å²	54.3	12%	0.115	30%	0.304	C	S	.	.	S	Bend	trans	-97.8	150.3	178.3	43	0	0	0	0	111.7	N190 L349 L356	N190-C351 VanDerWaalsContact OD1-CB 3.23Å; N190-C351 WeakPolarHBondContact OD1-CB 3.46Å; L349-C351 VanDerWaalsContact C-N 3.31Å; C351-L356 HydrophobicContact CB-CG 4.32Å; C351-L356 WeakPolarHBondContact SG-CD2 3.42Å; C351-L356 WeakPolarHBondContact SG-CG 3.34Å
352	G	85.4	Confident	90.2	Very high	36 Å²	36	57.7 Å²	57.7	37%	0.371	32%	0.317	S	S	.	.			trans	-60.3	143.8	176.7	0	0	0	0	0	111.1	L354 D355 L356	G352-L354 PolarHBondContact O-N 3.24Å; G352-D355 PolarHBondContact N-OD2 2.8Å; G352-D355 PolarHBondContact O-N 3.26Å; G352-L356 PolarHBondContact O-N 3.1Å
353	K	89.6	Confident	90.3	Very high	162 Å²	162	55.9 Å²	55.9	70%	0.704	31%	0.307	S	S	*	.	H	α-helix	trans	-56.6	-35.7	177.8	-66.7	-179.8	-179	176.6	0	112.2	L357	K353-L357 WeakPolarHBondContact O-CB 3.44Å; K353-L357 PolarHBondContact O-N 3.01Å
354	L	92.8	Very high	90.3	Very high	125 Å²	125	54.5 Å²	54.5	65%	0.654	30%	0.299	S	S	*	.	H	α-helix	trans	-65.6	-45.2	175.6	-169.1	105.8	0	0	0	111.4	G352 L356 L357 V358	G352-L354 PolarHBondContact O-N 3.24Å; L354-L356 VanDerWaalsContact C-N 3.31Å; L354-L356 PolarHBondContact O-N 3.01Å; L354-L357 WeakPolarHBondContact O-CB 3.41Å; L354-L357 PolarHBondContact O-N 3.37Å; L354-L357 VanDerWaalsContact O-N 3.14Å; L354-V358 WeakPolarHBondContact O-CG2 3.4Å; L354-V358 PolarHBondContact O-N 2.92Å
355	D	92.8	Very high	90.3	Very high	74 Å²	74	59.2 Å²	59.2	40%	0.396	32%	0.324	S	S	.	.	H	α-helix	trans	-62.5	-41	179.1	-58.6	-44.4	0	0	0	111.6	G352 V358 A359	G352-D355 PolarHBondContact N-OD2 2.8Å; G352-D355 PolarHBondContact O-N 3.26Å; D355-V358 PolarHBondContact O-N 3.07Å; D355-A359 VanDerWaalsContact O-CB 3.23Å; D355-A359 WeakPolarHBondContact O-CB 3.41Å; D355-A359 PolarHBondContact O-N 3.47Å
356	L	91.5	Very high	90.4	Very high	11 Å²	11	59.8 Å²	59.8	6%	0.058	33%	0.329	C	S	.	.	H	α-helix	trans	-61.5	-44	173.7	-79.3	172	0	0	0	111.8	V194 L341 L349 C351 G352 L354 A359 W360	V194-L356 HydrophobicContact CG2-CD2 3.63Å; L341-L356 HydrophobicContact CD2-CD1 4.43Å; L341-L356 HydrophobicContact CD2-CD2 3.85Å; L349-L356 HydrophobicContact CB-CD1 4.2Å; L349-L356 HydrophobicContact CD1-CD1 3.75Å; L349-L356 HydrophobicContact CD2-CD1 4.3Å; L349-L356 HydrophobicContact CG-CD1 4.31Å; C351-L356 HydrophobicContact CB-CG 4.32Å; C351-L356 WeakPolarHBondContact SG-CD2 3.42Å; C351-L356 WeakPolarHBondContact SG-CG 3.34Å; G352-L356 PolarHBondContact O-N 3.1Å; L354-L356 VanDerWaalsContact C-N 3.31Å; L354-L356 PolarHBondContact O-N 3.01Å; L356-A359 PolarHBondContact O-N 3.33Å; L356-W360 VanDerWaalsContact O-CB 3.24Å; L356-W360 WeakPolarHBondContact O-CB 3.43Å; L356-W360 PolarHBondContact O-N 2.88Å
357	L	95.5	Very high	90.7	Very high	63 Å²	63	56 Å²	56	33%	0.33	31%	0.311	S	S	.	.	H	α-helix	trans	-63.1	-46.2	179	-174.5	62.9	0	0	0	111.3	L334 K353 L354 W360 F361	L334-L357 HydrophobicContact CD1-CD1 3.79Å; L334-L357 HydrophobicContact CD2-CD1 3.53Å; L334-L357 HydrophobicContact CG-CD1 4.31Å; K353-L357 WeakPolarHBondContact O-CB 3.44Å; K353-L357 PolarHBondContact O-N 3.01Å; L354-L357 WeakPolarHBondContact O-CB 3.41Å; L354-L357 PolarHBondContact O-N 3.37Å; L354-L357 VanDerWaalsContact O-N 3.14Å; L357-W360 PolarHBondContact O-N 2.91Å; L357-F361 HydrophobicContact CD1-CD2 3.92Å; L357-F361 HydrophobicContact CD1-CE2 3.55Å; L357-F361 HydrophobicContact CD2-CE2 4.42Å; L357-F361 HydrophobicContact CG-CD2 3.94Å; L357-F361 HydrophobicContact CG-CE2 3.83Å; L357-F361 VanDerWaalsContact O-CD2 3.32Å; L357-F361 WeakPolarHBondContact O-CD2 3.4Å; L357-F361 PolarHBondContact O-N 3.06Å
358	V	97.1	Very high	91.3	Very high	75 Å²	75	55.6 Å²	55.6	46%	0.455	31%	0.307	S	S	.	.	H	α-helix	trans	-63.3	-44.5	177.2	176.2	0	0	0	0	110.7	F187 L354 D355 W360 F361 Y362	F187-V358 HydrophobicContact CE2-CG1 3.92Å; L354-V358 WeakPolarHBondContact O-CG2 3.4Å; L354-V358 PolarHBondContact O-N 2.92Å; D355-V358 PolarHBondContact O-N 3.07Å; V358-W360 VanDerWaalsContact C-N 3.3Å; V358-W360 PolarHBondContact O-N 3.36Å; V358-F361 PolarHBondContact O-N 3.03Å; V358-Y362 VanDerWaalsContact O-CB 3.3Å; V358-Y362 WeakPolarHBondContact O-CB 3.4Å; V358-Y362 PolarHBondContact O-N 2.93Å
359	A	96.6	Very high	92.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.9	-37.4	176.4	0	0	0	0	0	112.2	F187 N190 V194 D355 L356 R363	F187-A359 HydrophobicContact CE2-CB 3.94Å; N190-A359 HydrophobicContact CB-CB 4.27Å; V194-A359 HydrophobicContact CG2-CB 3.97Å; D355-A359 VanDerWaalsContact O-CB 3.23Å; D355-A359 WeakPolarHBondContact O-CB 3.41Å; D355-A359 PolarHBondContact O-N 3.47Å; L356-A359 PolarHBondContact O-N 3.33Å; A359-R363 WeakPolarHBondContact O-CB 3.49Å; A359-R363 PolarHBondContact O-N 2.98Å
360	W	97.3	Very high	92.7	Very high	7 Å²	7	55.6 Å²	55.6	3%	0.027	29%	0.294	C	S	.	.	H	α-helix	trans	-64.2	-50.7	175.6	-173.8	96.3	0	0	0	112.1	V194 C303 T330 W333 L334 D337 L356 L357 V358 Y362 R363 E364	V194-W360 HydrophobicContact CG1-CB 4.1Å; V194-W360 HydrophobicContact CG1-CG 4.42Å; C303-W360 HydrophobicContact CB-CH2 3.89Å; C303-W360 HydrophobicContact CB-CZ2 3.89Å; T330-W360 HydrophobicContact CG2-CH2 4.17Å; T330-W360 HydrophobicContact CG2-CZ3 4.38Å; W333-W360 AromaticContact CD1-CZ2 3.79Å; L334-W360 HydrophobicContact CD1-CB 4.46Å; L334-W360 HydrophobicContact CD1-CD2 3.72Å; L334-W360 HydrophobicContact CD1-CE3 4.05Å; L334-W360 HydrophobicContact CD1-CG 3.88Å; D337-W360 PolarHBondContact OD2-NE1 2.87Å; L356-W360 VanDerWaalsContact O-CB 3.24Å; L356-W360 WeakPolarHBondContact O-CB 3.43Å; L356-W360 PolarHBondContact O-N 2.88Å; L357-W360 PolarHBondContact O-N 2.91Å; V358-W360 VanDerWaalsContact C-N 3.3Å; V358-W360 PolarHBondContact O-N 3.36Å; W360-Y362 VanDerWaalsContact C-N 3.34Å; W360-Y362 PolarHBondContact O-N 3.36Å; W360-R363 VanDerWaalsContact NE1-NH2 3.11Å; W360-R363 PolarHBondContact O-N 2.72Å; W360-E364 HydrophobicContact CD2-CG 4.08Å; W360-E364 HydrophobicContact CE3-CG 4.08Å; W360-E364 HydrophobicContact CH2-CG 3.81Å; W360-E364 HydrophobicContact CZ2-CG 3.8Å; W360-E364 HydrophobicContact CZ3-CG 3.95Å; W360-E364 WeakPolarHBondContact O-CG 3.48Å; W360-E364 PolarHBondContact O-N 3.14Å
361	F	97.2	Very high	93.5	Very high	83 Å²	83	52.3 Å²	52.3	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-62	-42.1	176	-83.9	-67.3	0	0	0	112	L357 V358 R363 E364 L365	L357-F361 HydrophobicContact CD1-CD2 3.92Å; L357-F361 HydrophobicContact CD1-CE2 3.55Å; L357-F361 HydrophobicContact CD2-CE2 4.42Å; L357-F361 HydrophobicContact CG-CD2 3.94Å; L357-F361 HydrophobicContact CG-CE2 3.83Å; L357-F361 VanDerWaalsContact O-CD2 3.32Å; L357-F361 WeakPolarHBondContact O-CD2 3.4Å; L357-F361 PolarHBondContact O-N 3.06Å; V358-F361 PolarHBondContact O-N 3.03Å; F361-R363 VanDerWaalsContact C-N 3.34Å; F361-R363 PolarHBondContact O-N 3.36Å; F361-E364 PolarHBondContact O-N 3.43Å; F361-L365 WeakPolarHBondContact O-CB 3.41Å; F361-L365 VanDerWaalsContact O-CG 3.29Å; F361-L365 WeakPolarHBondContact O-CG 3.24Å; F361-L365 PolarHBondContact O-N 3.23Å
362	Y	97.4	Very high	94.1	Very high	77 Å²	77	55.9 Å²	55.9	30%	0.302	29%	0.29	S	S	.	.	H	α-helix	trans	-59.4	-44.8	176.8	-177	-86.2	0	0	0	111.8	F187 L191 V273 Q277 V358 W360 L365 T366	F187-Y362 HydrophobicContact CE1-CD1 4.31Å; F187-Y362 HydrophobicContact CE1-CD2 4.42Å; F187-Y362 HydrophobicContact CE1-CG 4.22Å; F187-Y362 HydrophobicContact CZ-CD1 4.24Å; F187-Y362 HydrophobicContact CZ-CD2 4.23Å; F187-Y362 AromaticContact CZ-CG 3.85Å; F187-Y362 HydrophobicContact CZ-CG 3.85Å; L191-Y362 HydrophobicContact CD1-CD1 3.79Å; L191-Y362 HydrophobicContact CD2-CD1 3.75Å; L191-Y362 HydrophobicContact CD2-CE1 3.69Å; L191-Y362 HydrophobicContact CG-CD1 4.43Å; V273-Y362 HydrophobicContact CG1-CE1 3.85Å; V273-Y362 WeakPolarHBondContact CG1-OH 3.47Å; Q277-Y362 PolarHBondContact NE2-OH 3.25Å; Q277-Y362 VanDerWaalsContact NE2-OH 3.11Å; V358-Y362 VanDerWaalsContact O-CB 3.3Å; V358-Y362 WeakPolarHBondContact O-CB 3.4Å; V358-Y362 PolarHBondContact O-N 2.93Å; W360-Y362 VanDerWaalsContact C-N 3.34Å; W360-Y362 PolarHBondContact O-N 3.36Å; Y362-L365 PolarHBondContact O-N 2.83Å; Y362-T366 HydrophobicContact CD1-CG2 4.17Å; Y362-T366 HydrophobicContact CD2-CG2 4.5Å; Y362-T366 HydrophobicContact CE1-CG2 3.78Å; Y362-T366 HydrophobicContact CE2-CG2 4.14Å; Y362-T366 WeakPolarHBondContact O-CB 3.23Å; Y362-T366 WeakPolarHBondContact O-CG2 3.32Å; Y362-T366 PolarHBondContact O-N 3.44Å; Y362-T366 PolarHBondContact O-OG1 3.45Å
363	R	96.7	Very high	94.4	Very high	8 Å²	8	60.3 Å²	60.3	3%	0.03	30%	0.295	C	S	.	.	H	α-helix	trans	-61.1	-49.4	177.5	-176.9	-88	-58.1	-179.1	8.1	111.2	L191 E302 D337 A359 W360 F361 L365 T366 A367	L191-R363 HydrophobicContact CD1-CB 3.76Å; L191-R363 HydrophobicContact CD1-CG 4.48Å; E302-R363 IonicContact OE2-CZ 3.44Å; E302-R363 IonicContact OE2-NH1 3.81Å; E302-R363 PolarHBondContact OE2-NH1 2.73Å; D337-R363 IonicContact OD2-NH2 2.65Å; D337-R363 PolarHBondContact OD2-NH2 3.32Å; A359-R363 WeakPolarHBondContact O-CB 3.49Å; A359-R363 PolarHBondContact O-N 2.98Å; W360-R363 VanDerWaalsContact NE1-NH2 3.11Å; W360-R363 PolarHBondContact O-N 2.72Å; F361-R363 VanDerWaalsContact C-N 3.34Å; F361-R363 PolarHBondContact O-N 3.36Å; R363-L365 VanDerWaalsContact C-N 3.35Å; R363-L365 PolarHBondContact O-N 2.97Å; R363-T366 PolarHBondContact O-N 2.84Å; R363-T366 PolarHBondContact O-OG1 2.92Å; R363-A367 WeakPolarHBondContact O-CB 3.49Å; R363-A367 PolarHBondContact O-N 3.47Å
364	E	96.3	Very high	94.5	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.009	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-42.5	179.8	-73.8	-76.2	166	0	0	112.1	C303 L304 W360 F361 P368	C303-E364 WeakPolarHBondContact CA-OE2 3.4Å; C303-E364 VanDerWaalsContact CB-CD 3.44Å; C303-E364 HydrophobicContact CB-CG 4.47Å; C303-E364 WeakPolarHBondContact CB-OE1 3.43Å; C303-E364 VanDerWaalsContact CB-OE2 3.3Å; C303-E364 WeakPolarHBondContact CB-OE2 3.44Å; C303-E364 PolarHBondContact N-OE1 3.46Å; C303-E364 PolarHBondContact N-OE2 3.37Å; L304-E364 HydrophobicContact CD1-CB 3.7Å; L304-E364 HydrophobicContact CG-CB 3.91Å; L304-E364 PolarHBondContact N-OE2 3.26Å; W360-E364 HydrophobicContact CD2-CG 4.08Å; W360-E364 HydrophobicContact CE3-CG 4.08Å; W360-E364 HydrophobicContact CH2-CG 3.81Å; W360-E364 HydrophobicContact CZ2-CG 3.8Å; W360-E364 HydrophobicContact CZ3-CG 3.95Å; W360-E364 WeakPolarHBondContact O-CG 3.48Å; W360-E364 PolarHBondContact O-N 3.14Å; F361-E364 PolarHBondContact O-N 3.43Å; E364-P368 WeakPolarHBondContact O-CD 3.23Å
365	L	96.2	Very high	94.3	Very high	101 Å²	101	50.4 Å²	50.4	53%	0.529	25%	0.25	S	C	.	.	H	α-helix	trans	-69	-33.1	177.6	-71.7	170.4	0	0	0	112.9	L304 F361 Y362 R363 F369	L304-L365 HydrophobicContact CD1-CD2 3.74Å; L304-L365 HydrophobicContact CD1-CG 4.06Å; F361-L365 WeakPolarHBondContact O-CB 3.41Å; F361-L365 VanDerWaalsContact O-CG 3.29Å; F361-L365 WeakPolarHBondContact O-CG 3.24Å; F361-L365 PolarHBondContact O-N 3.23Å; Y362-L365 PolarHBondContact O-N 2.83Å; R363-L365 VanDerWaalsContact C-N 3.35Å; R363-L365 PolarHBondContact O-N 2.97Å; L365-F369 VanDerWaalsContact O-CD2 3.29Å; L365-F369 WeakPolarHBondContact O-CD2 3.19Å; L365-F369 WeakPolarHBondContact O-CE2 3.35Å
366	T	95.7	Very high	94.2	Very high	27 Å²	27	53.3 Å²	53.3	17%	0.166	26%	0.264	C	S	.	.	H	α-helix	trans	-90.1	-18.4	-176.1	55.9	0	0	0	0	114.1	Y362 R363 F369 V370	Y362-T366 HydrophobicContact CD1-CG2 4.17Å; Y362-T366 HydrophobicContact CD2-CG2 4.5Å; Y362-T366 HydrophobicContact CE1-CG2 3.78Å; Y362-T366 HydrophobicContact CE2-CG2 4.14Å; Y362-T366 WeakPolarHBondContact O-CB 3.23Å; Y362-T366 WeakPolarHBondContact O-CG2 3.32Å; Y362-T366 PolarHBondContact O-N 3.44Å; Y362-T366 PolarHBondContact O-OG1 3.45Å; R363-T366 PolarHBondContact O-N 2.84Å; R363-T366 PolarHBondContact O-OG1 2.92Å; T366-F369 WeakPolarHBondContact O-CB 3.42Å; T366-F369 PolarHBondContact O-N 3.35Å; T366-F369 VanDerWaalsContact O-N 3.07Å; T366-V370 PolarHBondContact O-N 3.27Å
367	A	94.6	Very high	94	Very high	17 Å²	17	56.2 Å²	56.2	14%	0.14	28%	0.28	C	S	.	.	H	α-helix	trans	-55.5	-45.8	-178.7	0	0	0	0	0	113.7	E302 R363 F369 V370 F371	E302-A367 HydrophobicContact CG-CB 3.85Å; R363-A367 WeakPolarHBondContact O-CB 3.49Å; R363-A367 PolarHBondContact O-N 3.47Å; A367-F369 VanDerWaalsContact C-N 3.26Å; A367-F369 PolarHBondContact O-N 3.03Å; A367-V370 PolarHBondContact O-N 2.96Å; A367-F371 PolarHBondContact O-N 3.44Å
368	P	92.8	Very high	93.5	Very high	51 Å²	51	55.5 Å²	55.5	33%	0.331	28%	0.275	S	S	.	.	H	α-helix	trans	-59.7	-35.6	176.2	-25.2	35.3	0	0	0	113.2	V305 E364 F371 L372	V305-P368 HydrophobicContact CG2-CG 4.08Å; E364-P368 WeakPolarHBondContact O-CD 3.23Å; P368-F371 PolarHBondContact O-N 3.39Å; P368-L372 WeakPolarHBondContact O-CB 3.33Å; P368-L372 PolarHBondContact O-N 3.49Å
369	F	93.2	Very high	93.1	Very high	131 Å²	131	53.6 Å²	53.6	58%	0.575	26%	0.262	S	S	*	.	H	α-helix	trans	-73	-39.3	179.1	-61.8	-82.3	0	0	0	112.3	L365 T366 A367 F371 L372 R373	L365-F369 VanDerWaalsContact O-CD2 3.29Å; L365-F369 WeakPolarHBondContact O-CD2 3.19Å; L365-F369 WeakPolarHBondContact O-CE2 3.35Å; T366-F369 WeakPolarHBondContact O-CB 3.42Å; T366-F369 PolarHBondContact O-N 3.35Å; T366-F369 VanDerWaalsContact O-N 3.07Å; A367-F369 VanDerWaalsContact C-N 3.26Å; A367-F369 PolarHBondContact O-N 3.03Å; F369-F371 PolarHBondContact O-N 2.99Å; F369-L372 PolarHBondContact O-N 3.28Å; F369-R373 WeakPolarHBondContact O-CB 3.48Å; F369-R373 VanDerWaalsContact O-CG 3.28Å; F369-R373 WeakPolarHBondContact O-CG 3.33Å; F369-R373 PolarHBondContact O-N 3.42Å
370	V	93.1	Very high	92.6	Very high	14 Å²	14	53.6 Å²	53.6	9%	0.085	26%	0.263	C	S	.	.	H	α-helix	trans	-58.4	-43.9	171.8	169.9	0	0	0	0	109.8	Q277 L280 T366 A367 R373 A374	Q277-V370 HydrophobicContact CG-CG2 4.38Å; L280-V370 HydrophobicContact CB-CG1 3.76Å; T366-V370 PolarHBondContact O-N 3.27Å; A367-V370 PolarHBondContact O-N 2.96Å; V370-R373 PolarHBondContact O-N 2.95Å; V370-A374 PolarHBondContact O-N 3.43Å; V370-A374 VanDerWaalsContact O-N 3.13Å
371	F	92.2	Very high	92	Very high	18 Å²	18	59 Å²	59	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-67.3	-44.7	179.3	-143.6	-88.6	0	0	0	112.7	A284 I288 T294 A295 E298 P299 A367 P368 F369 R373 A374 I375	A284-F371 HydrophobicContact CB-CD2 4.48Å; A284-F371 HydrophobicContact CB-CE2 4.43Å; I288-F371 HydrophobicContact CD1-CE1 4Å; I288-F371 HydrophobicContact CD1-CZ 4.02Å; I288-F371 HydrophobicContact CG1-CZ 4.19Å; T294-F371 WeakPolarHBondContact O-CZ 3.45Å; A295-F371 WeakPolarHBondContact O-CE1 3.35Å; E298-F371 HydrophobicContact CB-CD2 4.22Å; E298-F371 HydrophobicContact CB-CE2 3.36Å; E298-F371 HydrophobicContact CB-CZ 3.63Å; E298-F371 HydrophobicContact CG-CE2 4.16Å; E298-F371 HydrophobicContact CG-CZ 4.41Å; E298-F371 VanDerWaalsContact OE2-CE2 3.3Å; E298-F371 WeakPolarHBondContact OE2-CE2 3.34Å; P299-F371 HydrophobicContact CG-CD1 3.52Å; P299-F371 HydrophobicContact CG-CE1 3.56Å; P299-F371 HydrophobicContact CG-CG 4.08Å; P299-F371 HydrophobicContact CG-CZ 4.2Å; A367-F371 PolarHBondContact O-N 3.44Å; P368-F371 PolarHBondContact O-N 3.39Å; F369-F371 PolarHBondContact O-N 2.99Å; F371-R373 VanDerWaalsContact C-N 3.33Å; F371-R373 PolarHBondContact O-N 3.38Å; F371-A374 WeakPolarHBondContact O-CA 3.29Å; F371-A374 WeakPolarHBondContact O-CB 3.32Å; F371-A374 PolarHBondContact O-N 2.85Å; F371-I375 HydrophobicContact CD1-CD1 3.66Å; F371-I375 HydrophobicContact CD1-CG1 4.12Å; F371-I375 HydrophobicContact CE1-CD1 3.85Å; F371-I375 HydrophobicContact CE1-CG1 4.2Å; F371-I375 PolarHBondContact O-N 2.83Å
372	L	92.1	Very high	90.9	Very high	91 Å²	91	57.3 Å²	57.3	48%	0.476	28%	0.279	S	S	.	.	H	α-helix	trans	-60	-43	176.5	-176.6	63.3	0	0	0	111.5	P368 F369 A374 I375 L376	P368-L372 WeakPolarHBondContact O-CB 3.33Å; P368-L372 PolarHBondContact O-N 3.49Å; F369-L372 PolarHBondContact O-N 3.28Å; L372-A374 PolarHBondContact O-N 3.28Å; L372-I375 PolarHBondContact O-N 3.16Å; L372-L376 HydrophobicContact CD1-CD1 3.98Å; L372-L376 HydrophobicContact CD1-CG 4.06Å; L372-L376 HydrophobicContact CD2-CD1 4.42Å; L372-L376 HydrophobicContact CG-CD1 3.78Å; L372-L376 HydrophobicContact CG-CG 4.27Å; L372-L376 WeakPolarHBondContact O-CB 3.38Å; L372-L376 VanDerWaalsContact O-CG 3.27Å; L372-L376 WeakPolarHBondContact O-CG 3.38Å; L372-L376 PolarHBondContact O-N 2.97Å
373	R	92.1	Very high	89.7	Confident	129 Å²	129	58.2 Å²	58.2	49%	0.487	28%	0.282	S	S	.	.	H	α-helix	trans	-62	-29.7	174.1	-75.7	177.6	179.6	-168.8	2.4	113.4	R285 F369 V370 F371	R285-R373 PolarHBondContact NH2-O 3.44Å; R285-R373 VanDerWaalsContact NH2-O 3.1Å; F369-R373 WeakPolarHBondContact O-CB 3.48Å; F369-R373 VanDerWaalsContact O-CG 3.28Å; F369-R373 WeakPolarHBondContact O-CG 3.33Å; F369-R373 PolarHBondContact O-N 3.42Å; V370-R373 PolarHBondContact O-N 2.95Å; F371-R373 VanDerWaalsContact C-N 3.33Å; F371-R373 PolarHBondContact O-N 3.38Å
374	A	92.1	Very high	88.7	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-76.9	-37.2	176.3	0	0	0	0	0	111.8	A284 R285 I288 V370 F371 L372 Q378	A284-A374 HydrophobicContact CB-CB 3.52Å; R285-A374 HydrophobicContact CG-CB 3.82Å; I288-A374 HydrophobicContact CD1-CB 4.13Å; V370-A374 PolarHBondContact O-N 3.43Å; V370-A374 VanDerWaalsContact O-N 3.13Å; F371-A374 WeakPolarHBondContact O-CA 3.29Å; F371-A374 WeakPolarHBondContact O-CB 3.32Å; F371-A374 PolarHBondContact O-N 2.85Å; L372-A374 PolarHBondContact O-N 3.28Å; A374-Q378 PolarHBondContact O-NE2 3.37Å
375	I	88.7	Confident	88	Confident	80 Å²	80	63.3 Å²	63.3	41%	0.41	32%	0.315	S	S	.	.	H	α-helix	trans	-70	-47.2	176.5	-67.8	170.5	0	0	0	111	I288 F371 L372 N377 Q378	I288-I375 HydrophobicContact CD1-CG1 3.9Å; F371-I375 HydrophobicContact CD1-CD1 3.66Å; F371-I375 HydrophobicContact CD1-CG1 4.12Å; F371-I375 HydrophobicContact CE1-CD1 3.85Å; F371-I375 HydrophobicContact CE1-CG1 4.2Å; F371-I375 PolarHBondContact O-N 2.83Å; L372-I375 PolarHBondContact O-N 3.16Å; I375-N377 VanDerWaalsContact C-N 3.28Å; I375-N377 PolarHBondContact O-N 3.2Å; I375-Q378 PolarHBondContact O-NE2 2.78Å; I375-Q378 VanDerWaalsContact O-NE2 3.16Å
376	L	89.7	Confident	87.7	Confident	134 Å²	134	59.8 Å²	59.8	70%	0.702	30%	0.297	S	S	*	.	H	α-helix	trans	-68.7	-23.3	-173.5	-69.4	175.4	0	0	0	114.1	L372	L372-L376 HydrophobicContact CD1-CD1 3.98Å; L372-L376 HydrophobicContact CD1-CG 4.06Å; L372-L376 HydrophobicContact CD2-CD1 4.42Å; L372-L376 HydrophobicContact CG-CD1 3.78Å; L372-L376 HydrophobicContact CG-CG 4.27Å; L372-L376 WeakPolarHBondContact O-CB 3.38Å; L372-L376 VanDerWaalsContact O-CG 3.27Å; L372-L376 WeakPolarHBondContact O-CG 3.38Å; L372-L376 PolarHBondContact O-N 2.97Å
377	N	87.9	Confident	87.4	Confident	72 Å²	72	58.5 Å²	58.5	39%	0.385	29%	0.29	S	S	.	.			trans	-140.1	118.1	179.6	-177.6	-8.9	0	0	0	109	R285 I375 D379	R285-N377 WeakPolarHBondContact CD-O 3.29Å; R285-N377 WeakPolarHBondContact CG-O 3.46Å; R285-N377 PolarHBondContact NE-O 2.93Å; I375-N377 VanDerWaalsContact C-N 3.28Å; I375-N377 PolarHBondContact O-N 3.2Å; N377-D379 VanDerWaalsContact OD1-CB 3.31Å; N377-D379 WeakPolarHBondContact OD1-CB 3.3Å; N377-D379 PolarHBondContact OD1-N 3.14Å
378	Q	84.7	Confident	87.2	Confident	49 Å²	49	63.1 Å²	63.1	23%	0.229	30%	0.303	C	S	.	.			trans	-94.6	-2.9	178.9	-62.9	-56.9	-35.4	0	0	113.4	A374 I375	A374-Q378 PolarHBondContact O-NE2 3.37Å; I375-Q378 PolarHBondContact O-NE2 2.78Å; I375-Q378 VanDerWaalsContact O-NE2 3.16Å
379	D	88	Confident	87	Confident	34 Å²	34	61.2 Å²	61.2	18%	0.182	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	135.9	-178.7	-60.8	-15.5	0	0	0	109.9	R285 N377 T386 F387 R388	R285-D379 PolarHBondContact NH1-O 3.01Å; N377-D379 VanDerWaalsContact OD1-CB 3.31Å; N377-D379 WeakPolarHBondContact OD1-CB 3.3Å; N377-D379 PolarHBondContact OD1-N 3.14Å; D379-T386 HydrophobicContact CB-CG2 3.92Å; D379-F387 CarbonylContact C-O 3.49Å; D379-F387 WeakPolarHBondContact CA-O 3.4Å; D379-R388 IonicContact OD1-CZ 3.72Å; D379-R388 IonicContact OD1-NE 3.19Å; D379-R388 PolarHBondContact OD1-NE 3.18Å; D379-R388 IonicContact OD1-NH2 3.4Å; D379-R388 PolarHBondContact OD1-NH2 3.4Å; D379-R388 IonicContact OD2-CZ 3.48Å; D379-R388 IonicContact OD2-NH2 2.76Å; D379-R388 PolarHBondContact OD2-NH2 3.27Å
380	I	86.9	Confident	86.8	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	110.2	-178.1	-64.7	-179.2	0	0	0	107.9	R282 R285 L286 W382 F387 L389	R282-I380 HydrophobicContact CG-CD1 4.12Å; R282-I380 HydrophobicContact CG-CG1 4.28Å; R282-I380 HydrophobicContact CG-CG2 3.68Å; R285-I380 HydrophobicContact CB-CD1 4.02Å; R285-I380 HydrophobicContact CB-CG1 4.24Å; L286-I380 HydrophobicContact CD2-CD1 3.89Å; L286-I380 HydrophobicContact CG-CD1 3.75Å; I380-W382 HydrophobicContact CG2-CB 4.37Å; I380-W382 HydrophobicContact CG2-CE3 4.33Å; I380-W382 PolarHBondContact O-N 3.19Å; I380-F387 PolarHBondContact N-O 3.42Å; I380-F387 PolarHBondContact O-N 3.36Å; I380-L389 HydrophobicContact CD1-CD1 3.46Å; I380-L389 VanDerWaalsContact CD1-CD1 3.46Å; I380-L389 HydrophobicContact CD1-CG 3.96Å
381	H	84.5	Confident	86.6	Confident	120 Å²	120	66.2 Å²	66.2	56%	0.556	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	118.6	164.8	-171.8	-87	0	0	0	109.3	R383	H381-R383 PolarHBondContact CE1-O 3.42Å
382	W	74.6	Confident	86.5	Confident	48 Å²	48	67.1 Å²	67.1	18%	0.182	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	109.1	177.3	-167	-66.2	0	0	0	110.4	I240 I380 T384 A385 F387	I240-W382 HydrophobicContact CG2-CD2 4.39Å; I240-W382 HydrophobicContact CG2-CE3 3.66Å; I240-W382 HydrophobicContact CG2-CH2 4.5Å; I240-W382 HydrophobicContact CG2-CZ3 3.72Å; I380-W382 HydrophobicContact CG2-CB 4.37Å; I380-W382 HydrophobicContact CG2-CE3 4.33Å; I380-W382 PolarHBondContact O-N 3.19Å; W382-T384 PolarHBondContact O-N 3.41Å; W382-A385 PolarHBondContact N-O 3.11Å; W382-A385 PolarHBondContact O-N 3.34Å; W382-F387 HydrophobicContact CB-CD2 4.1Å; W382-F387 HydrophobicContact CB-CE2 3.97Å
383	R	72.3	Confident	86.3	Confident	95 Å²	95	62.9 Å²	62.9	36%	0.358	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.3	-96.4	-176	-63.3	177.7	179.1	-178.9	-3.6	112.1	V67 H381	V67-R383 VanDerWaalsContact CG2-NH2 3.27Å; H381-R383 PolarHBondContact CE1-O 3.42Å
384	T	74.3	Confident	86.3	Confident	112 Å²	112	59 Å²	59	69%	0.687	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	5.6	-171.3	58.6	0	0	0	0	112.6	W382	W382-T384 PolarHBondContact O-N 3.41Å
385	A	82.7	Confident	86.3	Confident	6 Å²	6	59.3 Å²	59.3	5%	0.05	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	154.6	-177.9	0	0	0	0	0	111.7	W382 F387 M397	W382-A385 PolarHBondContact N-O 3.11Å; W382-A385 PolarHBondContact O-N 3.34Å; A385-F387 HydrophobicContact CB-CE1 4.44Å; A385-F387 HydrophobicContact CB-CE2 3.73Å; A385-F387 HydrophobicContact CB-CZ 3.69Å; A385-M397 HydrophobicContact CB-CE 4.48Å
386	T	88.5	Confident	86.4	Confident	26 Å²	26	60.2 Å²	60.2	16%	0.16	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	126.8	172.6	-59	0	0	0	0	109.8	D379 V398 E399	D379-T386 HydrophobicContact CB-CG2 3.92Å; T386-V398 HydrophobicContact CG2-CB 4.38Å; T386-V398 PolarHBondContact O-N 3.05Å; T386-E399 PolarHBondContact N-O 3.49Å; T386-E399 PolarHBondContact O-N 3.21Å
387	F	89.5	Confident	86.3	Confident	1 Å²	1	58 Å²	58	0%	0.004	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	138.1	179.2	-55.1	-88.1	0	0	0	110.6	L128 P130 I240 D379 I380 W382 A385 A395 E396 M397	L128-F387 HydrophobicContact CB-CE1 4.16Å; P130-F387 HydrophobicContact CG-CZ 4.27Å; I240-F387 HydrophobicContact CD1-CD1 4.16Å; I240-F387 HydrophobicContact CD1-CD2 4.08Å; I240-F387 HydrophobicContact CD1-CE1 4.4Å; I240-F387 HydrophobicContact CD1-CE2 4.34Å; I240-F387 HydrophobicContact CD1-CG 3.98Å; I240-F387 HydrophobicContact CD1-CZ 4.48Å; D379-F387 CarbonylContact C-O 3.49Å; D379-F387 WeakPolarHBondContact CA-O 3.4Å; I380-F387 PolarHBondContact N-O 3.42Å; I380-F387 PolarHBondContact O-N 3.36Å; W382-F387 HydrophobicContact CB-CD2 4.1Å; W382-F387 HydrophobicContact CB-CE2 3.97Å; A385-F387 HydrophobicContact CB-CE1 4.44Å; A385-F387 HydrophobicContact CB-CE2 3.73Å; A385-F387 HydrophobicContact CB-CZ 3.69Å; F387-A395 HydrophobicContact CD1-CB 4.32Å; F387-E396 CarbonylContact C-O 3.56Å; F387-E396 VanDerWaalsContact CA-O 3.23Å; F387-E396 WeakPolarHBondContact CA-O 3.41Å; F387-M397 HydrophobicContact CE1-CE 4.01Å; F387-M397 HydrophobicContact CZ-CE 4.45Å
388	R	90.4	Very high	86.2	Confident	113 Å²	113	57.9 Å²	57.9	43%	0.426	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	139.1	163.8	-176.4	163.3	-69	163.1	3.6	108.9	D379 E396 V398	D379-R388 IonicContact OD1-CZ 3.72Å; D379-R388 IonicContact OD1-NE 3.19Å; D379-R388 PolarHBondContact OD1-NE 3.18Å; D379-R388 IonicContact OD1-NH2 3.4Å; D379-R388 PolarHBondContact OD1-NH2 3.4Å; D379-R388 IonicContact OD2-CZ 3.48Å; D379-R388 IonicContact OD2-NH2 2.76Å; D379-R388 PolarHBondContact OD2-NH2 3.27Å; R388-E396 PolarHBondContact N-O 3.03Å; R388-E396 PolarHBondContact O-N 3.46Å; R388-V398 HydrophobicContact CB-CG2 3.49Å; R388-V398 VanDerWaalsContact CB-CG2 3.49Å
389	L	88.8	Confident	86	Confident	11 Å²	11	61.9 Å²	61.9	6%	0.058	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.4	177.7	-60.5	-179.4	0	0	0	110.5	I240 L286 A289 I380 A395	I240-L389 HydrophobicContact CB-CD2 4.4Å; I240-L389 HydrophobicContact CG1-CD2 3.96Å; L286-L389 HydrophobicContact CB-CD1 4.44Å; L286-L389 HydrophobicContact CD2-CD1 3.55Å; L286-L389 HydrophobicContact CD2-CD2 4.34Å; L286-L389 HydrophobicContact CG-CD1 4.1Å; A289-L389 HydrophobicContact CB-CB 3.53Å; A289-L389 HydrophobicContact CB-CD1 3.79Å; A289-L389 HydrophobicContact CB-CG 4.35Å; I380-L389 HydrophobicContact CD1-CD1 3.46Å; I380-L389 VanDerWaalsContact CD1-CD1 3.46Å; I380-L389 HydrophobicContact CD1-CG 3.96Å; L389-A395 HydrophobicContact CD2-CB 4.42Å
390	N	89.3	Confident	85.2	Confident	69 Å²	69	67.5 Å²	67.5	37%	0.369	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-85.1	160.8	169	-71.3	-41.6	0	0	0	110.6	G392 G393 V394 E396	N390-G392 PolarHBondContact O-N 3.32Å; N390-G393 PolarHBondContact O-N 3.41Å; N390-V394 PolarHBondContact N-O 2.9Å; N390-E396 PolarHBondContact ND2-OE2 2.89Å
391	W	89.5	Confident	85.1	Confident	182 Å²	182	70.8 Å²	70.8	69%	0.689	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	137.7	175.5	-65.2	120.9	0	0	0	111.4	I288 P292 G393	I288-W391 HydrophobicContact CG2-CH2 4.46Å; I288-W391 HydrophobicContact CG2-CZ3 4.29Å; I288-W391 WeakPolarHBondContact O-CZ3 3.32Å; P292-W391 HydrophobicContact CB-CE3 4.14Å; P292-W391 HydrophobicContact CB-CH2 4.23Å; P292-W391 HydrophobicContact CB-CZ3 3.64Å; P292-W391 HydrophobicContact CG-CD2 4.47Å; P292-W391 HydrophobicContact CG-CE3 3.54Å; P292-W391 HydrophobicContact CG-CZ3 3.56Å; W391-G393 VanDerWaalsContact C-N 3.35Å
392	G	89.4	Confident	85.1	Confident	36 Å²	36	68.2 Å²	68.2	37%	0.371	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	12	-169.4	0	0	0	0	0	113.4	F245 A289 N390 V394	F245-G392 WeakPolarHBondContact CZ-O 3.46Å; A289-G392 PolarHBondContact O-N 3.41Å; N390-G392 PolarHBondContact O-N 3.32Å; G392-V394 VanDerWaalsContact C-N 3.3Å; G392-V394 PolarHBondContact O-N 3.48Å
393	G	89.3	Confident	85.7	Confident	3 Å²	3	69.3 Å²	69.3	3%	0.031	36%	0.356	C	S	.	.	S	Bend	trans	74	11.4	171	0	0	0	0	0	115.8	Y239 A289 N390 W391	Y239-G393 WeakPolarHBondContact CD1-O 3.3Å; A289-G393 PolarHBondContact O-N 2.89Å; N390-G393 PolarHBondContact O-N 3.41Å; W391-G393 VanDerWaalsContact C-N 3.35Å
394	V	91.5	Very high	86.5	Confident	46 Å²	46	67.8 Å²	67.8	28%	0.279	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-72	129.2	178.6	-178.6	0	0	0	0	109.5	Y239 N390 G392	Y239-V394 HydrophobicContact CD1-CG2 4.31Å; Y239-V394 HydrophobicContact CE1-CG2 3.75Å; N390-V394 PolarHBondContact N-O 2.9Å; G392-V394 VanDerWaalsContact C-N 3.3Å; G392-V394 PolarHBondContact O-N 3.48Å
395	A	91.1	Very high	87.2	Confident	7 Å²	7	65.1 Å²	65.1	6%	0.058	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	143.5	178	0	0	0	0	0	111.2	L128 R238 I240 F387 L389	L128-A395 HydrophobicContact CB-CB 4.42Å; L128-A395 HydrophobicContact CD1-CB 4.19Å; L128-A395 WeakPolarHBondContact CD1-O 3.41Å; R238-A395 WeakPolarHBondContact O-CB 3.36Å; R238-A395 PolarHBondContact O-N 3.41Å; I240-A395 HydrophobicContact CD1-CB 3.95Å; I240-A395 HydrophobicContact CG1-CB 3.8Å; F387-A395 HydrophobicContact CD1-CB 4.32Å; L389-A395 HydrophobicContact CD2-CB 4.42Å
396	E	91.4	Very high	87.5	Confident	100 Å²	100	69 Å²	69	47%	0.467	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.5	168	-174.1	175.2	172.4	0	0	107.8	F387 R388 N390	F387-E396 CarbonylContact C-O 3.56Å; F387-E396 VanDerWaalsContact CA-O 3.23Å; F387-E396 WeakPolarHBondContact CA-O 3.41Å; R388-E396 PolarHBondContact N-O 3.03Å; R388-E396 PolarHBondContact O-N 3.46Å; N390-E396 PolarHBondContact ND2-OE2 2.89Å
397	M	86.7	Confident	87.5	Confident	86 Å²	86	72.1 Å²	72.1	42%	0.424	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	125.1	-179.5	-174.9	176	-78.4	0	0	109.1	L128 A385 F387 T400	L128-M397 HydrophobicContact CD2-CB 4.32Å; L128-M397 HydrophobicContact CD2-CE 4.03Å; A385-M397 HydrophobicContact CB-CE 4.48Å; F387-M397 HydrophobicContact CE1-CE 4.01Å; F387-M397 HydrophobicContact CZ-CE 4.45Å; M397-T400 HydrophobicContact CE-CG2 4.31Å; M397-T400 HydrophobicContact CG-CG2 4.39Å; M397-T400 HydrophobicContact SD-CG2 3.5Å; M397-T400 WeakPolarHBondContact SD-CG2 3.35Å
398	V	86.8	Confident	87.3	Confident	70 Å²	70	77.5 Å²	77.5	42%	0.424	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-44.2	179.1	-178.1	0	0	0	0	110.5	T386 R388	T386-V398 HydrophobicContact CG2-CB 4.38Å; T386-V398 PolarHBondContact O-N 3.05Å; R388-V398 HydrophobicContact CB-CG2 3.49Å; R388-V398 VanDerWaalsContact CB-CG2 3.49Å
399	E	79.8	Confident	87.1	Confident	134 Å²	134	74.6 Å²	74.6	63%	0.626	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-152.8	145.9	-173.8	-162.9	172.5	-164.1	0	0	110	T386	T386-E399 PolarHBondContact N-O 3.49Å; T386-E399 PolarHBondContact O-N 3.21Å
400	T	71.1	Confident	86.9	Confident	151 Å²	151	80.4 Å²	80.4	93%	0.926	42%	0.424	S	S	*	.			trans	-114.7	0	177.6	39	0	0	0	0	111.7	M397	M397-T400 HydrophobicContact CE-CG2 4.31Å; M397-T400 HydrophobicContact CG-CG2 4.39Å; M397-T400 HydrophobicContact SD-CG2 3.5Å; M397-T400 WeakPolarHBondContact SD-CG2 3.35Å

Retrieved 400 of 400 residues in 297.3 ms (Link to these results)

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