A0A077YX48_TRITR Loading...

glucuronosyltransferase

AlphaFold DB , UniProt , Accession A0A077YX48, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 525 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	40.5	Very low	64.2	Low	240 Å²	240	127.4 Å²	127.4	100%	1.182	66%	0.657	S	S	*	*				0	68.8	0	-155.6	173.2	-168.8	0	0	107.5	A3	M1-A3 PolarHBondContact O-N 3.32Å; M1-A3 VanDerWaalsContact O-N 3.11Å
2	F	50.9	Low	65.2	Low	207 Å²	207	120.7 Å²	120.7	91%	0.908	63%	0.634	S	S	*	*			trans	-79	95.9	175.2	-73.9	-81.1	0	0	0	106.1	L4	F2-L4 PolarHBondContact O-N 2.96Å
3	A	54	Low	66.1	Low	87 Å²	87	118.8 Å²	118.8	72%	0.719	62%	0.624	S	S	*	*			trans	-64.4	89.6	168.9	0	0	0	0	0	106.9	M1 T5	M1-A3 PolarHBondContact O-N 3.32Å; M1-A3 VanDerWaalsContact O-N 3.11Å; A3-T5 VanDerWaalsContact C-N 3.27Å; A3-T5 PolarHBondContact O-N 3.04Å
4	L	52.9	Low	66.7	Low	126 Å²	126	116 Å²	116	66%	0.66	61%	0.609	S	S	*	*			trans	-57.2	101.3	162	-77	164.5	0	0	0	105	F2 S8 V9	F2-L4 PolarHBondContact O-N 2.96Å; L4-S8 WeakPolarHBondContact CB-OG 3.49Å; L4-S8 WeakPolarHBondContact CD2-OG 3.34Å; L4-V9 HydrophobicContact CB-CG2 4.27Å
5	T	61.4	Low	67.2	Low	97 Å²	97	115.1 Å²	115.1	60%	0.595	60%	0.604	S	S	*	*			trans	-55.4	141.4	175.1	49.6	0	0	0	0	107.9	A3 R7 S8	A3-T5 VanDerWaalsContact C-N 3.27Å; A3-T5 PolarHBondContact O-N 3.04Å; T5-R7 PolarHBondContact O-N 3.17Å; T5-S8 WeakPolarHBondContact O-CB 3.23Å; T5-S8 PolarHBondContact O-N 3.47Å; T5-S8 PolarHBondContact O-OG 3.33Å
6	D	66.7	Low	67.4	Low	149 Å²	149	114.8 Å²	114.8	80%	0.797	60%	0.603	S	S	*	*	H	α-helix	trans	-45.1	-31.8	-176.7	-95.1	-38.5	0	0	0	113.4	S8 V9 H10	D6-S8 PolarHBondContact O-N 2.82Å; D6-V9 PolarHBondContact O-N 3.28Å; D6-H10 WeakPolarHBondContact O-CB 3.3Å; D6-H10 PolarHBondContact O-N 3.18Å
7	R	70.8	Confident	67.4	Low	198 Å²	198	113.8 Å²	113.8	75%	0.747	60%	0.598	S	S	*	*	H	α-helix	trans	-60.5	-42.2	176.6	-143.7	173.1	-169.2	177.4	2.4	113.5	T5 V9 H10 D11	T5-R7 PolarHBondContact O-N 3.17Å; R7-V9 PolarHBondContact O-N 2.93Å; R7-H10 PolarHBondContact O-N 3.4Å; R7-D11 WeakPolarHBondContact O-CB 3.25Å; R7-D11 PolarHBondContact O-N 2.86Å
8	S	73.4	Confident	67.2	Low	37 Å²	37	112.1 Å²	112.1	26%	0.259	60%	0.595	S	S	.	*	H	α-helix	trans	-66.1	-35.7	179.2	66.2	0	0	0	0	113.1	L4 T5 D6 A12	L4-S8 WeakPolarHBondContact CB-OG 3.49Å; L4-S8 WeakPolarHBondContact CD2-OG 3.34Å; T5-S8 WeakPolarHBondContact O-CB 3.23Å; T5-S8 PolarHBondContact O-N 3.47Å; T5-S8 PolarHBondContact O-OG 3.33Å; D6-S8 PolarHBondContact O-N 2.82Å; S8-A12 WeakPolarHBondContact O-CB 3.25Å; S8-A12 PolarHBondContact O-N 3.28Å
9	V	76.9	Confident	66.8	Low	66 Å²	66	113.7 Å²	113.7	40%	0.4	60%	0.597	S	S	.	*	H	α-helix	trans	-71.6	-41.7	176.2	179.2	0	0	0	0	110.1	L4 D6 R7 A12 L13	L4-V9 HydrophobicContact CB-CG2 4.27Å; D6-V9 PolarHBondContact O-N 3.28Å; R7-V9 PolarHBondContact O-N 2.93Å; V9-A12 PolarHBondContact O-N 3.25Å; V9-L13 HydrophobicContact CG1-CD1 4.03Å; V9-L13 WeakPolarHBondContact O-CB 3.47Å; V9-L13 PolarHBondContact O-N 3.07Å
10	H	77.3	Confident	66.3	Low	115 Å²	115	112 Å²	112	53%	0.532	59%	0.591	S	S	.	*	H	α-helix	trans	-63.3	-42.8	175.8	-172.5	-85.8	0	0	0	112.1	D6 R7 L13 L14	D6-H10 WeakPolarHBondContact O-CB 3.3Å; D6-H10 PolarHBondContact O-N 3.18Å; R7-H10 PolarHBondContact O-N 3.4Å; H10-L13 PolarHBondContact O-N 2.86Å; H10-L14 WeakPolarHBondContact CE1-CD1 3.4Å; H10-L14 WeakPolarHBondContact ND1-CD1 3.26Å; H10-L14 WeakPolarHBondContact O-CB 3.35Å; H10-L14 PolarHBondContact O-N 3.44Å
11	D	80.9	Confident	65.7	Low	79 Å²	79	111.7 Å²	111.7	42%	0.422	59%	0.594	S	S	.	*	H	α-helix	trans	-66.2	-38.9	177.2	-66.2	-21.5	0	0	0	111.5	R7 L14 L15	R7-D11 WeakPolarHBondContact O-CB 3.25Å; R7-D11 PolarHBondContact O-N 2.86Å; D11-L14 PolarHBondContact O-N 3.02Å; D11-L15 WeakPolarHBondContact O-CB 3.41Å; D11-L15 VanDerWaalsContact O-CG 3.3Å; D11-L15 WeakPolarHBondContact O-CG 3.25Å; D11-L15 PolarHBondContact O-N 3.37Å
12	A	76.7	Confident	66.3	Low	47 Å²	47	104.7 Å²	104.7	39%	0.388	57%	0.568	S	S	.	*	H	α-helix	trans	-66.2	-40.9	174.3	0	0	0	0	0	112.5	S8 V9 L15 L16	S8-A12 WeakPolarHBondContact O-CB 3.25Å; S8-A12 PolarHBondContact O-N 3.28Å; V9-A12 PolarHBondContact O-N 3.25Å; A12-L15 PolarHBondContact O-N 3.03Å; A12-L16 WeakPolarHBondContact O-CB 3.47Å; A12-L16 PolarHBondContact O-N 3.24Å
13	L	77.1	Confident	66.8	Low	96 Å²	96	98.2 Å²	98.2	50%	0.503	55%	0.553	S	S	.	*	H	α-helix	trans	-65.6	-41.7	174.8	-89.2	159.8	0	0	0	111.9	V9 H10 L16 L17	V9-L13 HydrophobicContact CG1-CD1 4.03Å; V9-L13 WeakPolarHBondContact O-CB 3.47Å; V9-L13 PolarHBondContact O-N 3.07Å; H10-L13 PolarHBondContact O-N 2.86Å; L13-L16 PolarHBondContact O-N 3.04Å; L13-L17 VanDerWaalsContact O-CB 3.3Å; L13-L17 WeakPolarHBondContact O-CB 3.37Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 2.97Å
14	L	74.3	Confident	67.8	Low	80 Å²	80	100.9 Å²	100.9	42%	0.419	56%	0.555	S	S	.	*	H	α-helix	trans	-63.1	-42.7	173.6	-90.6	169.1	0	0	0	111.5	H10 D11 L17 C18	H10-L14 WeakPolarHBondContact CE1-CD1 3.4Å; H10-L14 WeakPolarHBondContact ND1-CD1 3.26Å; H10-L14 WeakPolarHBondContact O-CB 3.35Å; H10-L14 PolarHBondContact O-N 3.44Å; D11-L14 PolarHBondContact O-N 3.02Å; L14-L17 PolarHBondContact O-N 2.9Å; L14-C18 WeakPolarHBondContact O-CB 3.09Å; L14-C18 PolarHBondContact O-N 3.41Å; L14-C18 PolarHBondContact O-SG 3.11Å
15	L	74.4	Confident	69.5	Low	102 Å²	102	96.1 Å²	96.1	53%	0.534	54%	0.537	S	S	.	.	H	α-helix	trans	-61.9	-47.1	174.5	-78.5	163.7	0	0	0	110.9	D11 A12 L17 C18 F19	D11-L15 WeakPolarHBondContact O-CB 3.41Å; D11-L15 VanDerWaalsContact O-CG 3.3Å; D11-L15 WeakPolarHBondContact O-CG 3.25Å; D11-L15 PolarHBondContact O-N 3.37Å; A12-L15 PolarHBondContact O-N 3.03Å; L15-L17 PolarHBondContact O-N 3.44Å; L15-C18 WeakPolarHBondContact O-CB 3.39Å; L15-C18 PolarHBondContact O-N 3.47Å; L15-F19 WeakPolarHBondContact O-CD2 3.49Å; L15-F19 PolarHBondContact O-N 3.03Å
16	L	70.7	Confident	70.9	Confident	110 Å²	110	92.2 Å²	92.2	58%	0.576	51%	0.513	S	S	*	.	H	α-helix	trans	-58.9	-44.8	174.5	-98.6	146.8	0	0	0	112	A12 L13 F19 T20	A12-L16 WeakPolarHBondContact O-CB 3.47Å; A12-L16 PolarHBondContact O-N 3.24Å; L13-L16 PolarHBondContact O-N 3.04Å; L16-F19 PolarHBondContact O-N 3.11Å; L16-T20 WeakPolarHBondContact O-CG2 3.28Å; L16-T20 PolarHBondContact O-N 3.25Å; L16-T20 PolarHBondContact O-OG1 3.3Å
17	L	66.4	Low	72.2	Confident	99 Å²	99	88.3 Å²	88.3	52%	0.518	49%	0.489	S	S	.	.	H	α-helix	trans	-61.7	-45.6	174.8	-86.5	155.2	0	0	0	110.9	L13 L14 L15 F19 T20 V21	L13-L17 VanDerWaalsContact O-CB 3.3Å; L13-L17 WeakPolarHBondContact O-CB 3.37Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 2.97Å; L14-L17 PolarHBondContact O-N 2.9Å; L15-L17 PolarHBondContact O-N 3.44Å; L17-F19 VanDerWaalsContact C-N 3.31Å; L17-F19 PolarHBondContact O-N 3.42Å; L17-T20 WeakPolarHBondContact CA-OG1 3.16Å; L17-T20 PolarHBondContact O-N 2.59Å; L17-T20 PolarHBondContact O-OG1 2.89Å; L17-V21 WeakPolarHBondContact O-CB 3.27Å; L17-V21 VanDerWaalsContact O-CG2 3.25Å; L17-V21 WeakPolarHBondContact O-CG2 3.47Å; L17-V21 PolarHBondContact O-N 3.45Å
18	C	63.5	Low	73.3	Confident	82 Å²	82	78.9 Å²	78.9	55%	0.554	45%	0.454	S	S	*	.	H	α-helix	trans	-58.9	-42.5	174.1	-74.3	0	0	0	0	111.6	L14 L15 V21 S22	L14-C18 WeakPolarHBondContact O-CB 3.09Å; L14-C18 PolarHBondContact O-N 3.41Å; L14-C18 PolarHBondContact O-SG 3.11Å; L15-C18 WeakPolarHBondContact O-CB 3.39Å; L15-C18 PolarHBondContact O-N 3.47Å; C18-V21 PolarHBondContact O-N 2.74Å; C18-S22 PolarHBondContact O-N 3.35Å; C18-S22 VanDerWaalsContact O-N 3.1Å; C18-S22 PolarHBondContact O-OG 3.13Å
19	F	60.1	Low	74.4	Confident	144 Å²	144	77.2 Å²	77.2	63%	0.632	44%	0.442	S	S	*	.	H	α-helix	trans	-65.3	-42.3	176.1	-81.1	-67	0	0	0	112.2	L15 L16 L17 S22 A23	L15-F19 WeakPolarHBondContact O-CD2 3.49Å; L15-F19 PolarHBondContact O-N 3.03Å; L16-F19 PolarHBondContact O-N 3.11Å; L17-F19 VanDerWaalsContact C-N 3.31Å; L17-F19 PolarHBondContact O-N 3.42Å; F19-S22 WeakPolarHBondContact CA-OG 3.39Å; F19-S22 PolarHBondContact O-N 3.14Å; F19-S22 PolarHBondContact O-OG 3.07Å; F19-A23 PolarHBondContact O-N 3.34Å
20	T	56.3	Low	75.2	Confident	78 Å²	78	74.1 Å²	74.1	48%	0.479	42%	0.423	S	S	.	.	H	α-helix	trans	-67.7	-38.3	177	58.2	0	0	0	0	112.5	L16 L17 S22 A23	L16-T20 WeakPolarHBondContact O-CG2 3.28Å; L16-T20 PolarHBondContact O-N 3.25Å; L16-T20 PolarHBondContact O-OG1 3.3Å; L17-T20 WeakPolarHBondContact CA-OG1 3.16Å; L17-T20 PolarHBondContact O-N 2.59Å; L17-T20 PolarHBondContact O-OG1 2.89Å; T20-S22 VanDerWaalsContact C-N 3.28Å; T20-S22 PolarHBondContact O-N 3.17Å; T20-A23 WeakPolarHBondContact O-CB 3.36Å; T20-A23 PolarHBondContact O-N 3.23Å
21	V	53.6	Low	76	Confident	106 Å²	106	68.7 Å²	68.7	64%	0.642	40%	0.398	S	S	*	.	H	α-helix	trans	-65.6	-33.8	176	173.2	0	0	0	0	111	L17 C18 A23	L17-V21 WeakPolarHBondContact O-CB 3.27Å; L17-V21 VanDerWaalsContact O-CG2 3.25Å; L17-V21 WeakPolarHBondContact O-CG2 3.47Å; L17-V21 PolarHBondContact O-N 3.45Å; C18-V21 PolarHBondContact O-N 2.74Å; V21-A23 VanDerWaalsContact C-N 3.25Å; V21-A23 PolarHBondContact O-N 3.37Å
22	S	54.9	Low	76.6	Confident	93 Å²	93	64.9 Å²	64.9	65%	0.65	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-8.5	171.8	46.3	0	0	0	0	114.7	C18 F19 T20	C18-S22 PolarHBondContact O-N 3.35Å; C18-S22 VanDerWaalsContact O-N 3.1Å; C18-S22 PolarHBondContact O-OG 3.13Å; F19-S22 WeakPolarHBondContact CA-OG 3.39Å; F19-S22 PolarHBondContact O-N 3.14Å; F19-S22 PolarHBondContact O-OG 3.07Å; T20-S22 VanDerWaalsContact C-N 3.28Å; T20-S22 PolarHBondContact O-N 3.17Å
23	A	60.9	Low	77.1	Confident	72 Å²	72	63.4 Å²	63.4	60%	0.595	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	8.7	-175	0	0	0	0	0	114.8	F19 T20 V21 G25	F19-A23 PolarHBondContact O-N 3.34Å; T20-A23 WeakPolarHBondContact O-CB 3.36Å; T20-A23 PolarHBondContact O-N 3.23Å; V21-A23 VanDerWaalsContact C-N 3.25Å; V21-A23 PolarHBondContact O-N 3.37Å; A23-G25 PolarHBondContact O-N 2.81Å
24	N	73.5	Confident	77.4	Confident	142 Å²	142	58.8 Å²	58.8	76%	0.759	34%	0.339	S	S	*	.			trans	-75.5	67.3	179.2	-77.5	-13.7	0	0	0	112.1
25	G	88.6	Confident	77.8	Confident	27 Å²	27	56.3 Å²	56.3	28%	0.278	33%	0.325	S	S	.	.			trans	-68.3	144.6	165.1	0	0	0	0	0	111	A23 G54	A23-G25 PolarHBondContact O-N 2.81Å; G25-G54 VanDerWaalsContact CA-O 3.3Å; G25-G54 WeakPolarHBondContact CA-O 3.48Å
26	L	92.3	Very high	78.3	Confident	15 Å²	15	52 Å²	52	8%	0.079	30%	0.303	C	S	.	.			trans	-76.3	143.8	171.9	-61.5	174.2	0	0	0	110	V28 H55 H56 D146 V147 V476	L26-V28 HydrophobicContact CB-CG2 4Å; L26-V28 PolarHBondContact O-N 2.74Å; L26-H55 HydrophobicContact CB-CB 4.47Å; L26-H55 PolarHBondContact N-ND1 3.39Å; L26-H55 VanDerWaalsContact N-ND1 3.11Å; L26-H55 WeakPolarHBondContact O-CB 3.39Å; L26-H56 PolarHBondContact O-N 3.24Å; L26-D146 WeakPolarHBondContact CA-OD2 3.36Å; L26-D146 HydrophobicContact CB-CB 4.35Å; L26-D146 HydrophobicContact CD2-CB 3.91Å; L26-V147 HydrophobicContact CD1-CG1 4.38Å; L26-V476 HydrophobicContact CD1-CB 4.32Å; L26-V476 HydrophobicContact CD1-CG1 4.33Å; L26-V476 HydrophobicContact CD1-CG2 4.13Å; L26-V476 HydrophobicContact CD2-CG1 4.01Å
27	E	93.6	Very high	79	Confident	66 Å²	66	50.4 Å²	50.4	31%	0.308	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	106.1	164.2	-70	-60.3	145.4	0	0	109.3	H56 D146 V147	E27-H56 WeakPolarHBondContact OE1-CB 3.24Å; E27-H56 IonicContact OE1-CG 3.07Å; E27-H56 IonicContact OE2-CD2 2.71Å; E27-H56 PolarHBondContact OE2-CD2 3.07Å; E27-H56 IonicContact OE2-CG 3.38Å; E27-D146 PolarHBondContact N-OD2 2.95Å; E27-D146 PolarHBondContact O-N 3.23Å; E27-V147 PolarHBondContact O-N 2.61Å
28	V	94.8	Very high	79.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125	-172	-175.5	0	0	0	0	111.2	L26 L50 H55 H56 V57 T58 V147 M149	L26-V28 HydrophobicContact CB-CG2 4Å; L26-V28 PolarHBondContact O-N 2.74Å; V28-L50 HydrophobicContact CG1-CD1 4.02Å; V28-L50 HydrophobicContact CG2-CD2 4.45Å; V28-H55 HydrophobicContact CG2-CB 4.14Å; V28-H56 WeakPolarHBondContact CB-O 3.47Å; V28-H56 PolarHBondContact N-O 2.93Å; V28-V57 HydrophobicContact CB-CG2 4.37Å; V28-T58 PolarHBondContact O-N 2.92Å; V28-V147 HydrophobicContact CB-CG1 4.15Å; V28-V147 HydrophobicContact CG1-CG1 4.05Å; V28-V147 HydrophobicContact CG2-CG1 3.7Å; V28-M149 HydrophobicContact CG1-CG 4.09Å; V28-M149 HydrophobicContact CG1-SD 3.8Å
29	L	94.9	Very high	81	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	106.3	164.5	-174.4	54.8	0	0	0	110.4	T58 Y145 V147 I148 M149 L157 I161	L29-T58 HydrophobicContact CD1-CG2 3.84Å; L29-Y145 HydrophobicContact CB-CD1 3.6Å; L29-Y145 HydrophobicContact CB-CD2 4.26Å; L29-Y145 HydrophobicContact CB-CE1 3.77Å; L29-Y145 HydrophobicContact CB-CE2 4.43Å; L29-Y145 HydrophobicContact CB-CG 3.85Å; L29-Y145 HydrophobicContact CD1-CE1 4.21Å; L29-Y145 HydrophobicContact CD2-CD2 4.07Å; L29-Y145 HydrophobicContact CD2-CE2 3.89Å; L29-Y145 HydrophobicContact CD2-CG 4.48Å; L29-Y145 HydrophobicContact CG-CE1 4.39Å; L29-V147 PolarHBondContact N-O 2.74Å; L29-I148 HydrophobicContact CB-CG1 4.49Å; L29-I148 WeakPolarHBondContact O-CA 3.47Å; L29-M149 PolarHBondContact O-N 2.79Å; L29-L157 HydrophobicContact CD2-CD1 3.98Å; L29-L157 HydrophobicContact CD2-CD2 4.05Å; L29-L157 HydrophobicContact CD2-CG 4.42Å; L29-L157 HydrophobicContact CG-CD2 4.32Å; L29-I161 HydrophobicContact CD2-CD1 3.72Å; L29-I161 HydrophobicContact CD2-CG1 4.38Å
30	L	95.3	Very high	82.5	Confident	1 Å²	1	39 Å²	39	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	104.6	179.4	-179.9	60.3	0	0	0	110.9	T43 F46 A47 V57 T58 T59 L60 M149 L172	L30-T43 HydrophobicContact CD1-CG2 4.46Å; L30-T43 HydrophobicContact CD2-CG2 3.55Å; L30-T43 HydrophobicContact CG-CG2 3.8Å; L30-F46 HydrophobicContact CD2-CB 4.01Å; L30-A47 HydrophobicContact CD2-CB 3.97Å; L30-V57 HydrophobicContact CB-CG1 3.98Å; L30-V57 HydrophobicContact CD2-CG1 4.35Å; L30-T58 PolarHBondContact N-O 3.42Å; L30-T59 CarbonylContact O-C 3.38Å; L30-T59 WeakPolarHBondContact O-CA 3.23Å; L30-L60 PolarHBondContact O-N 2.72Å; L30-M149 HydrophobicContact CD1-CB 3.75Å; L30-L172 HydrophobicContact CD1-CD1 3.81Å
31	Y	93.9	Very high	84.1	Confident	1 Å²	1	38.4 Å²	38.4	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.4	178.3	179.1	-103.9	0	0	0	111.9	L60 A62 I130 M149 T150 D154 L157	Y31-L60 WeakPolarHBondContact CA-O 3.22Å; Y31-L60 HydrophobicContact CD2-CB 3.98Å; Y31-L60 HydrophobicContact CD2-CD2 3.61Å; Y31-L60 HydrophobicContact CD2-CG 3.69Å; Y31-L60 HydrophobicContact CE2-CD2 3.85Å; Y31-L60 HydrophobicContact CE2-CG 4.01Å; Y31-A62 HydrophobicContact CE2-CB 3.71Å; Y31-I130 HydrophobicContact CE2-CD1 3.97Å; Y31-M149 PolarHBondContact N-O 3.3Å; Y31-T150 WeakPolarHBondContact CD1-OG1 3.43Å; Y31-T150 WeakPolarHBondContact O-CA 3.33Å; Y31-D154 HydrophobicContact CE1-CB 4.07Å; Y31-D154 PolarHBondContact OH-OD2 2.84Å; Y31-L157 VanDerWaalsContact CB-CD2 3.45Å; Y31-L157 HydrophobicContact CD1-CD2 4.38Å; Y31-L157 HydrophobicContact CD2-CD2 4.27Å; Y31-L157 HydrophobicContact CG-CD2 3.8Å
32	S	92.3	Very high	85.9	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	163.6	-175.9	-156	0	0	0	0	112.4	T43 L60 L61 A62 H151	S32-T43 WeakPolarHBondContact CB-OG1 3.44Å; S32-T43 PolarHBondContact OG-OG1 3.08Å; S32-L60 PolarHBondContact N-O 3.29Å; S32-L61 CarbonylContact O-C 3.48Å; S32-L61 VanDerWaalsContact O-CA 3.3Å; S32-L61 WeakPolarHBondContact O-CA 3.39Å; S32-A62 PolarHBondContact O-N 2.9Å; S32-H151 PolarHBondContact OG-CD2 3.42Å; S32-H151 PolarHBondContact OG-NE2 3.01Å
33	F	87.5	Confident	87.6	Confident	15 Å²	15	29.2 Å²	29.2	7%	0.066	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	134.9	174.3	-54.5	-62.2	0	0	0	110.3	M35 H39 A62 H151 I153 D154	F33-M35 HydrophobicContact CB-CE 3.78Å; F33-M35 HydrophobicContact CB-CG 4.49Å; F33-M35 HydrophobicContact CD1-CE 4.15Å; F33-M35 HydrophobicContact CD2-CE 4.49Å; F33-M35 HydrophobicContact CG-CE 3.86Å; F33-H39 WeakPolarHBondContact O-CB 3.35Å; F33-A62 WeakPolarHBondContact CD1-O 3.06Å; F33-H151 AromaticContact CD2-CD2 3.65Å; F33-H151 HydrophobicContact CE2-CB 3.95Å; F33-H151 AromaticContact CE2-CD2 3.83Å; F33-I153 HydrophobicContact CE2-CD1 3.49Å; F33-I153 VanDerWaalsContact CE2-CD1 3.49Å; F33-I153 HydrophobicContact CE2-CG1 3.56Å; F33-I153 HydrophobicContact CZ-CD1 3.91Å; F33-I153 HydrophobicContact CZ-CG1 3.66Å; F33-D154 HydrophobicContact CE1-CB 4.21Å; F33-D154 HydrophobicContact CZ-CB 3.91Å
34	G	83.7	Confident	89.2	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	15.5	172.2	0	0	0	0	0	113.1	S36 P63 T64	G34-S36 PolarHBondContact O-N 3.19Å; G34-S36 VanDerWaalsContact O-N 3.13Å; G34-P63 CarbonylContact C-O 3.59Å; G34-P63 WeakPolarHBondContact CA-O 3.28Å; G34-P63 PolarHBondContact N-O 2.78Å; G34-T64 WeakPolarHBondContact CA-OG1 3.36Å
35	M	83.5	Confident	90	Very high	28 Å²	28	21.1 Å²	21.1	14%	0.138	11%	0.108	C	C	.	.	S	Bend	trans	-62.4	-22.1	-171.1	-66.5	-175.2	-82	0	0	114.8	F33 P63 R65 F91 M122	F33-M35 HydrophobicContact CB-CE 3.78Å; F33-M35 HydrophobicContact CB-CG 4.49Å; F33-M35 HydrophobicContact CD1-CE 4.15Å; F33-M35 HydrophobicContact CD2-CE 4.49Å; F33-M35 HydrophobicContact CG-CE 3.86Å; M35-P63 HydrophobicContact CG-CG 3.95Å; M35-P63 WeakPolarHBondContact CG-O 3.37Å; M35-P63 PolarHBondContact N-O 2.83Å; M35-P63 VanDerWaalsContact N-O 3.14Å; M35-P63 HydrophobicContact SD-CG 4.28Å; M35-R65 WeakPolarHBondContact O-CD 3.35Å; M35-F91 HydrophobicContact SD-CD2 4.49Å; M35-F91 HydrophobicContact SD-CE2 4.37Å; M35-M122 HydrophobicContact CE-CE 4.4Å; M35-M122 HydrophobicContact CG-SD 4.34Å; M35-M122 HydrophobicContact SD-CE 3.58Å; M35-M122 VanDerWaalsContact SD-CE 3.58Å; M35-M122 HydrophobicContact SD-SD 3.24Å
36	S	84	Confident	90.2	Very high	10 Å²	10	19.8 Å²	19.8	7%	0.07	10%	0.095	C	C	.	.	S	Bend	trans	-139.3	159.9	176.7	71.9	0	0	0	0	111	G34 S38 H39 A40	G34-S36 PolarHBondContact O-N 3.19Å; G34-S36 VanDerWaalsContact O-N 3.13Å; S36-S38 PolarHBondContact O-N 3.16Å; S36-S38 PolarHBondContact OG-OG 3.2Å; S36-H39 PolarHBondContact O-N 2.99Å; S36-H39 VanDerWaalsContact O-N 3.14Å; S36-H39 PolarHBondContact OG-N 3.44Å; S36-H39 PolarHBondContact OG-ND1 2.89Å; S36-A40 PolarHBondContact O-N 3.48Å
37	R	86.3	Confident	90.3	Very high	77 Å²	77	19.1 Å²	19.1	29%	0.291	9%	0.091	S	C	.	.	H	α-helix	trans	-55.9	-37.4	174.2	-170.6	172.1	179.5	-178.7	-1.4	111.8	A40 M41 W364	R37-A40 PolarHBondContact O-N 3.45Å; R37-M41 HydrophobicContact CG-CE 4.36Å; R37-M41 HydrophobicContact CG-CG 4.47Å; R37-M41 HydrophobicContact CG-SD 4.4Å; R37-M41 WeakPolarHBondContact O-CB 3.44Å; R37-M41 VanDerWaalsContact O-CG 3.25Å; R37-M41 WeakPolarHBondContact O-CG 3.47Å; R37-M41 PolarHBondContact O-N 2.91Å; R37-W364 HydrophobicContact CG-CH2 4.26Å; R37-W364 VanDerWaalsContact CZ-CE2 3.44Å; R37-W364 VanDerWaalsContact NH1-CE3 3.34Å
38	S	84.8	Confident	90.2	Very high	31 Å²	31	17.7 Å²	17.7	22%	0.217	9%	0.087	C	C	.	.	H	α-helix	trans	-64.3	-42.1	176.7	56.7	0	0	0	0	113.5	S36 M41 F42	S36-S38 PolarHBondContact O-N 3.16Å; S36-S38 PolarHBondContact OG-OG 3.2Å; S38-M41 PolarHBondContact O-N 3.39Å; S38-F42 WeakPolarHBondContact O-CB 3.47Å; S38-F42 PolarHBondContact O-N 3.41Å
39	H	87.1	Confident	90.1	Very high	54 Å²	54	17.7 Å²	17.7	25%	0.25	9%	0.087	C	C	.	.	H	α-helix	trans	-68.7	-43	176.7	-68.1	98	0	0	0	111.4	F33 S36 M41 F42 T43	F33-H39 WeakPolarHBondContact O-CB 3.35Å; S36-H39 PolarHBondContact O-N 2.99Å; S36-H39 VanDerWaalsContact O-N 3.14Å; S36-H39 PolarHBondContact OG-N 3.44Å; S36-H39 PolarHBondContact OG-ND1 2.89Å; H39-M41 VanDerWaalsContact C-N 3.33Å; H39-M41 PolarHBondContact O-N 3.48Å; H39-F42 WeakPolarHBondContact O-CB 3.32Å; H39-F42 PolarHBondContact O-N 2.91Å; H39-F42 VanDerWaalsContact O-N 3.16Å; H39-T43 PolarHBondContact O-N 3.13Å; H39-T43 PolarHBondContact O-OG1 3.31Å
40	A	91	Very high	90	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.6	-41.5	175.7	0	0	0	0	0	112	S36 R37 T43 N44 V68 L70 F73	S36-A40 PolarHBondContact O-N 3.48Å; R37-A40 PolarHBondContact O-N 3.45Å; A40-T43 PolarHBondContact O-N 3.31Å; A40-N44 WeakPolarHBondContact O-CB 3.31Å; A40-N44 PolarHBondContact O-N 3.44Å; A40-V68 HydrophobicContact CB-CG1 4.41Å; A40-L70 HydrophobicContact CB-CD2 3.6Å; A40-F73 VanDerWaalsContact O-CZ 3.3Å; A40-F73 WeakPolarHBondContact O-CZ 3.42Å
41	M	89.6	Confident	89.9	Confident	67 Å²	67	19.5 Å²	19.5	33%	0.33	10%	0.099	S	C	.	.	H	α-helix	trans	-64.9	-40.8	173.7	-73.2	-171.1	-52	0	0	112.4	R37 S38 H39 N44 R45 P71 W364	R37-M41 HydrophobicContact CG-CE 4.36Å; R37-M41 HydrophobicContact CG-CG 4.47Å; R37-M41 HydrophobicContact CG-SD 4.4Å; R37-M41 WeakPolarHBondContact O-CB 3.44Å; R37-M41 VanDerWaalsContact O-CG 3.25Å; R37-M41 WeakPolarHBondContact O-CG 3.47Å; R37-M41 PolarHBondContact O-N 2.91Å; S38-M41 PolarHBondContact O-N 3.39Å; H39-M41 VanDerWaalsContact C-N 3.33Å; H39-M41 PolarHBondContact O-N 3.48Å; M41-N44 PolarHBondContact O-N 2.97Å; M41-R45 WeakPolarHBondContact O-CG 3.4Å; M41-R45 PolarHBondContact O-N 2.93Å; M41-P71 HydrophobicContact CG-CG 4.41Å; M41-W364 HydrophobicContact CE-CH2 3.9Å; M41-W364 HydrophobicContact CE-CZ2 3.91Å; M41-W364 HydrophobicContact SD-CZ2 4.16Å
42	F	90.4	Very high	89.7	Confident	4 Å²	4	25.3 Å²	25.3	2%	0.018	13%	0.127	C	C	.	.	H	α-helix	trans	-57.4	-50.9	174.8	167	-96.1	0	0	0	111.4	S38 H39 N44 R45 F46 H151 L172 N262 M280	S38-F42 WeakPolarHBondContact O-CB 3.47Å; S38-F42 PolarHBondContact O-N 3.41Å; H39-F42 WeakPolarHBondContact O-CB 3.32Å; H39-F42 PolarHBondContact O-N 2.91Å; H39-F42 VanDerWaalsContact O-N 3.16Å; F42-N44 VanDerWaalsContact C-N 3.33Å; F42-N44 PolarHBondContact O-N 3.34Å; F42-R45 PolarHBondContact O-N 3.13Å; F42-F46 HydrophobicContact CD2-CE2 4.46Å; F42-F46 HydrophobicContact CE1-CD2 4.19Å; F42-F46 HydrophobicContact CE1-CE2 4.18Å; F42-F46 HydrophobicContact CE2-CD2 4.02Å; F42-F46 AromaticContact CE2-CE2 3.52Å; F42-F46 HydrophobicContact CE2-CE2 3.52Å; F42-F46 AromaticContact CZ-CD2 3.81Å; F42-F46 HydrophobicContact CZ-CD2 3.81Å; F42-F46 AromaticContact CZ-CE2 3.38Å; F42-F46 HydrophobicContact CZ-CE2 3.38Å; F42-F46 HydrophobicContact CZ-CZ 4.48Å; F42-F46 PolarHBondContact O-N 3.34Å; F42-H151 AromaticContact CE1-CE1 3.57Å; F42-L172 HydrophobicContact CE1-CD1 4.35Å; F42-L172 HydrophobicContact CZ-CB 4.44Å; F42-N262 HydrophobicContact CD2-CB 4.25Å; F42-N262 HydrophobicContact CE2-CB 3.54Å; F42-N262 HydrophobicContact CZ-CB 4.31Å; F42-M280 HydrophobicContact CE2-SD 3.96Å
43	T	92.6	Very high	89.5	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-63.4	-40.5	179	-49.7	0	0	0	0	111.7	L30 S32 H39 A40 R45 F46 A47 T59 L61 F73	L30-T43 HydrophobicContact CD1-CG2 4.46Å; L30-T43 HydrophobicContact CD2-CG2 3.55Å; L30-T43 HydrophobicContact CG-CG2 3.8Å; S32-T43 WeakPolarHBondContact CB-OG1 3.44Å; S32-T43 PolarHBondContact OG-OG1 3.08Å; H39-T43 PolarHBondContact O-N 3.13Å; H39-T43 PolarHBondContact O-OG1 3.31Å; A40-T43 PolarHBondContact O-N 3.31Å; T43-R45 VanDerWaalsContact C-N 3.3Å; T43-R45 PolarHBondContact O-N 3.29Å; T43-F46 PolarHBondContact O-N 3.36Å; T43-A47 PolarHBondContact O-N 2.94Å; T43-T59 HydrophobicContact CG2-CG2 3.93Å; T43-L61 HydrophobicContact CG2-CD2 3.8Å; T43-F73 HydrophobicContact CG2-CE1 4.08Å
44	N	92.7	Very high	89.7	Confident	25 Å²	25	30.9 Å²	30.9	13%	0.134	17%	0.168	C	C	.	.	H	α-helix	trans	-61.1	-37.1	177.6	179.2	-110.7	0	0	0	113	A40 M41 F42 A47 T48 P71 K72 F73	A40-N44 WeakPolarHBondContact O-CB 3.31Å; A40-N44 PolarHBondContact O-N 3.44Å; M41-N44 PolarHBondContact O-N 2.97Å; F42-N44 VanDerWaalsContact C-N 3.33Å; F42-N44 PolarHBondContact O-N 3.34Å; N44-A47 PolarHBondContact O-N 2.96Å; N44-T48 VanDerWaalsContact O-CB 3.3Å; N44-T48 WeakPolarHBondContact O-CB 3.28Å; N44-T48 PolarHBondContact O-N 2.82Å; N44-T48 PolarHBondContact O-OG1 3.06Å; N44-P71 HydrophobicContact CB-CB 4.23Å; N44-P71 HydrophobicContact CB-CG 3.46Å; N44-P71 VanDerWaalsContact CB-CG 3.46Å; N44-K72 PolarHBondContact ND2-O 3.09Å; N44-F73 HydrophobicContact CB-CD1 4.15Å; N44-F73 HydrophobicContact CB-CE1 3.7Å; N44-F73 HydrophobicContact CB-CE2 4.11Å; N44-F73 HydrophobicContact CB-CZ 3.67Å; N44-F73 VanDerWaalsContact ND2-CA 3.29Å; N44-F73 WeakPolarHBondContact ND2-CA 3.35Å
45	R	91.2	Very high	90.2	Very high	19 Å²	19	31.3 Å²	31.3	7%	0.072	17%	0.17	C	C	.	.	H	α-helix	trans	-61.5	-44	175	-71.6	-175.1	-60.3	-177.6	2	111.5	M41 F42 T43 A49 F283 N386	M41-R45 WeakPolarHBondContact O-CG 3.4Å; M41-R45 PolarHBondContact O-N 2.93Å; F42-R45 PolarHBondContact O-N 3.13Å; T43-R45 VanDerWaalsContact C-N 3.3Å; T43-R45 PolarHBondContact O-N 3.29Å; R45-A49 WeakPolarHBondContact O-CB 3.46Å; R45-A49 PolarHBondContact O-N 3.31Å; R45-F283 HydrophobicContact CB-CD2 4.23Å; R45-N386 PolarHBondContact NH2-OD1 2.92Å
46	F	92.2	Very high	90.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-51.5	174.6	-90	-76.6	0	0	0	112.2	L30 F42 T43 T48 A49 L50 M149 L172 I260 M280 F283	L30-F46 HydrophobicContact CD2-CB 4.01Å; F42-F46 HydrophobicContact CD2-CE2 4.46Å; F42-F46 HydrophobicContact CE1-CD2 4.19Å; F42-F46 HydrophobicContact CE1-CE2 4.18Å; F42-F46 HydrophobicContact CE2-CD2 4.02Å; F42-F46 AromaticContact CE2-CE2 3.52Å; F42-F46 HydrophobicContact CE2-CE2 3.52Å; F42-F46 AromaticContact CZ-CD2 3.81Å; F42-F46 HydrophobicContact CZ-CD2 3.81Å; F42-F46 AromaticContact CZ-CE2 3.38Å; F42-F46 HydrophobicContact CZ-CE2 3.38Å; F42-F46 HydrophobicContact CZ-CZ 4.48Å; F42-F46 PolarHBondContact O-N 3.34Å; T43-F46 PolarHBondContact O-N 3.36Å; F46-T48 PolarHBondContact O-N 2.79Å; F46-A49 PolarHBondContact O-N 3.21Å; F46-L50 WeakPolarHBondContact O-CB 3.48Å; F46-L50 WeakPolarHBondContact O-CD1 3.39Å; F46-L50 WeakPolarHBondContact O-CG 3.15Å; F46-L50 PolarHBondContact O-N 3.02Å; F46-M149 HydrophobicContact CD1-CE 3.9Å; F46-M149 HydrophobicContact CE1-CE 4.03Å; F46-L172 HydrophobicContact CE1-CD2 4.27Å; F46-L172 HydrophobicContact CE2-CD2 4.38Å; F46-L172 HydrophobicContact CZ-CD2 4.01Å; F46-I260 HydrophobicContact CE1-CD1 4.26Å; F46-I260 HydrophobicContact CE1-CG2 4.12Å; F46-I260 HydrophobicContact CZ-CG2 3.72Å; F46-M280 HydrophobicContact CD2-CE 4.35Å; F46-M280 HydrophobicContact CD2-SD 4.33Å; F46-M280 HydrophobicContact CE1-SD 4.36Å; F46-M280 HydrophobicContact CE2-CE 3.73Å; F46-M280 HydrophobicContact CE2-SD 3.21Å; F46-M280 WeakPolarHBondContact CE2-SD 3.2Å; F46-M280 HydrophobicContact CZ-CB 4.33Å; F46-M280 HydrophobicContact CZ-CE 3.95Å; F46-M280 HydrophobicContact CZ-CG 4.4Å; F46-M280 HydrophobicContact CZ-SD 3.24Å; F46-M280 WeakPolarHBondContact CZ-SD 3.17Å; F46-F283 HydrophobicContact CD1-CE2 4.04Å; F46-F283 HydrophobicContact CD1-CZ 4.28Å; F46-F283 HydrophobicContact CE1-CE2 4.17Å; F46-F283 AromaticContact CE1-CZ 3.98Å; F46-F283 HydrophobicContact CE1-CZ 3.98Å; F46-F283 HydrophobicContact CG-CE2 4.31Å; F46-F283 HydrophobicContact CZ-CZ 4.37Å
47	A	94.3	Very high	91.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-55.7	-43.7	179.8	0	0	0	0	0	111.5	L30 T43 N44 T51 V57 F73 P74	L30-A47 HydrophobicContact CD2-CB 3.97Å; T43-A47 PolarHBondContact O-N 2.94Å; N44-A47 PolarHBondContact O-N 2.96Å; A47-T51 WeakPolarHBondContact O-CB 3.38Å; A47-T51 PolarHBondContact O-N 3.31Å; A47-T51 PolarHBondContact O-OG1 2.84Å; A47-V57 HydrophobicContact CB-CG1 4.2Å; A47-F73 HydrophobicContact CB-CD1 4.08Å; A47-F73 HydrophobicContact CB-CE1 4.46Å; A47-P74 HydrophobicContact CB-CG 3.75Å
48	T	93	Very high	91.7	Very high	37 Å²	37	28.5 Å²	28.5	23%	0.227	16%	0.158	C	C	.	.	H	α-helix	trans	-64.8	-49.4	178.6	-55	0	0	0	0	111.5	N44 F46 L50 T51 M52	N44-T48 VanDerWaalsContact O-CB 3.3Å; N44-T48 WeakPolarHBondContact O-CB 3.28Å; N44-T48 PolarHBondContact O-N 2.82Å; N44-T48 PolarHBondContact O-OG1 3.06Å; F46-T48 PolarHBondContact O-N 2.79Å; T48-L50 PolarHBondContact O-N 2.88Å; T48-T51 PolarHBondContact O-N 2.99Å; T48-M52 HydrophobicContact CG2-CG 4.43Å; T48-M52 HydrophobicContact CG2-SD 4.05Å; T48-M52 WeakPolarHBondContact O-CB 3.4Å; T48-M52 VanDerWaalsContact O-CG 3.32Å; T48-M52 WeakPolarHBondContact O-CG 3.31Å; T48-M52 PolarHBondContact O-N 2.87Å
49	A	91.8	Very high	92.3	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.5	-45.7	179.8	0	0	0	0	0	112.1	R45 F46 M52 Q53 F283 E465 M469	R45-A49 WeakPolarHBondContact O-CB 3.46Å; R45-A49 PolarHBondContact O-N 3.31Å; F46-A49 PolarHBondContact O-N 3.21Å; A49-M52 PolarHBondContact O-N 3.01Å; A49-Q53 WeakPolarHBondContact O-CG 3.4Å; A49-Q53 PolarHBondContact O-N 3.29Å; A49-Q53 VanDerWaalsContact O-N 3.17Å; A49-F283 HydrophobicContact CB-CD2 3.62Å; A49-F283 HydrophobicContact CB-CE2 3.67Å; A49-F283 HydrophobicContact CB-CG 4.39Å; A49-F283 HydrophobicContact CB-CZ 4.46Å; A49-E465 HydrophobicContact CB-CG 3.8Å; A49-M469 HydrophobicContact CB-CE 4.33Å; A49-M469 HydrophobicContact CB-SD 4.48Å
50	L	93.3	Very high	92.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.2	-47.8	176.7	-70.4	164.1	0	0	0	111.5	V28 F46 T48 M52 Q53 G54 H55 V57 M149 M469 L472	V28-L50 HydrophobicContact CG1-CD1 4.02Å; V28-L50 HydrophobicContact CG2-CD2 4.45Å; F46-L50 WeakPolarHBondContact O-CB 3.48Å; F46-L50 WeakPolarHBondContact O-CD1 3.39Å; F46-L50 WeakPolarHBondContact O-CG 3.15Å; F46-L50 PolarHBondContact O-N 3.02Å; T48-L50 PolarHBondContact O-N 2.88Å; L50-M52 VanDerWaalsContact C-N 3.32Å; L50-M52 PolarHBondContact O-N 3.37Å; L50-Q53 PolarHBondContact O-N 3.08Å; L50-Q53 VanDerWaalsContact O-N 3.12Å; L50-G54 PolarHBondContact O-N 3.38Å; L50-H55 HydrophobicContact CB-CB 4.39Å; L50-H55 WeakPolarHBondContact O-CB 3.38Å; L50-H55 PolarHBondContact O-N 3.01Å; L50-H55 VanDerWaalsContact O-N 3.12Å; L50-V57 HydrophobicContact CB-CG2 3.5Å; L50-V57 VanDerWaalsContact CB-CG2 3.5Å; L50-V57 HydrophobicContact CD1-CG1 4.48Å; L50-V57 HydrophobicContact CD1-CG2 4.07Å; L50-V57 HydrophobicContact CG-CG2 4.43Å; L50-M149 HydrophobicContact CD1-SD 3.87Å; L50-M149 HydrophobicContact CD2-SD 4.29Å; L50-M469 HydrophobicContact CD2-CE 4.16Å; L50-M469 HydrophobicContact CD2-SD 3.61Å; L50-M469 HydrophobicContact CG-CE 4.44Å; L50-M469 HydrophobicContact CG-SD 4.09Å; L50-L472 HydrophobicContact CD2-CD2 3.3Å
51	T	92.9	Very high	92.8	Very high	41 Å²	41	24.7 Å²	24.7	25%	0.252	14%	0.137	S	C	.	.	H	α-helix	trans	-62.8	-39.9	179.2	-53.9	0	0	0	0	111.3	A47 T48 Q53 G54 H55 P74	A47-T51 WeakPolarHBondContact O-CB 3.38Å; A47-T51 PolarHBondContact O-N 3.31Å; A47-T51 PolarHBondContact O-OG1 2.84Å; T48-T51 PolarHBondContact O-N 2.99Å; T51-Q53 PolarHBondContact O-N 3.49Å; T51-G54 PolarHBondContact O-N 3.25Å; T51-H55 WeakPolarHBondContact CA-O 3.34Å; T51-P74 HydrophobicContact CG2-CB 3.99Å; T51-P74 WeakPolarHBondContact OG1-CB 3.46Å; T51-P74 WeakPolarHBondContact OG1-CG 3.35Å
52	M	89.3	Confident	92.9	Very high	122 Å²	122	21.5 Å²	21.5	60%	0.601	12%	0.121	S	C	*	.	H	α-helix	trans	-65.5	-24.3	176.9	-76.3	-176.4	60.7	0	0	113.4	T48 A49 L50 G54 S285	T48-M52 HydrophobicContact CG2-CG 4.43Å; T48-M52 HydrophobicContact CG2-SD 4.05Å; T48-M52 WeakPolarHBondContact O-CB 3.4Å; T48-M52 VanDerWaalsContact O-CG 3.32Å; T48-M52 WeakPolarHBondContact O-CG 3.31Å; T48-M52 PolarHBondContact O-N 2.87Å; A49-M52 PolarHBondContact O-N 3.01Å; L50-M52 VanDerWaalsContact C-N 3.32Å; L50-M52 PolarHBondContact O-N 3.37Å; M52-G54 VanDerWaalsContact C-N 3.27Å; M52-S285 VanDerWaalsContact SD-CB 3.54Å
53	Q	88.8	Confident	92.9	Very high	81 Å²	81	21.4 Å²	21.4	38%	0.379	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	7.9	172	-62.2	-60.1	-26.5	0	0	113.3	A49 L50 T51 M469	A49-Q53 WeakPolarHBondContact O-CG 3.4Å; A49-Q53 PolarHBondContact O-N 3.29Å; A49-Q53 VanDerWaalsContact O-N 3.17Å; L50-Q53 PolarHBondContact O-N 3.08Å; L50-Q53 VanDerWaalsContact O-N 3.12Å; T51-Q53 PolarHBondContact O-N 3.49Å; Q53-M469 HydrophobicContact CG-CB 3.97Å; Q53-M469 HydrophobicContact CG-CG 3.69Å; Q53-M469 HydrophobicContact CG-SD 4.34Å
54	G	91.1	Very high	92.6	Very high	52 Å²	52	21.6 Å²	21.6	54%	0.536	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	10.5	177.1	0	0	0	0	0	114.7	G25 L50 T51 M52	G25-G54 VanDerWaalsContact CA-O 3.3Å; G25-G54 WeakPolarHBondContact CA-O 3.48Å; L50-G54 PolarHBondContact O-N 3.38Å; T51-G54 PolarHBondContact O-N 3.25Å; M52-G54 VanDerWaalsContact C-N 3.27Å
55	H	93.5	Very high	92.3	Very high	9 Å²	9	21.6 Å²	21.6	4%	0.042	12%	0.121	C	C	.	.			trans	-81.3	145.2	172.6	-54.1	-32	0	0	0	111	L26 V28 L50 T51 E473	L26-H55 HydrophobicContact CB-CB 4.47Å; L26-H55 PolarHBondContact N-ND1 3.39Å; L26-H55 VanDerWaalsContact N-ND1 3.11Å; L26-H55 WeakPolarHBondContact O-CB 3.39Å; V28-H55 HydrophobicContact CG2-CB 4.14Å; L50-H55 HydrophobicContact CB-CB 4.39Å; L50-H55 WeakPolarHBondContact O-CB 3.38Å; L50-H55 PolarHBondContact O-N 3.01Å; L50-H55 VanDerWaalsContact O-N 3.12Å; T51-H55 WeakPolarHBondContact CA-O 3.34Å; H55-E473 IonicContact CE1-OE1 3.52Å; H55-E473 IonicContact NE2-OE1 2.73Å
56	H	94.7	Very high	91.9	Very high	54 Å²	54	24.3 Å²	24.3	25%	0.25	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	129.8	171.5	-176.3	79.8	0	0	0	109.1	L26 E27 V28 D78	L26-H56 PolarHBondContact O-N 3.24Å; E27-H56 WeakPolarHBondContact OE1-CB 3.24Å; E27-H56 IonicContact OE1-CG 3.07Å; E27-H56 IonicContact OE2-CD2 2.71Å; E27-H56 PolarHBondContact OE2-CD2 3.07Å; E27-H56 IonicContact OE2-CG 3.38Å; V28-H56 WeakPolarHBondContact CB-O 3.47Å; V28-H56 PolarHBondContact N-O 2.93Å; H56-D78 IonicContact CE1-OD2 3.41Å; H56-D78 PolarHBondContact CE1-OD2 3.45Å; H56-D78 IonicContact NE2-OD2 3.77Å; H56-D78 PolarHBondContact NE2-OD2 2.9Å; H56-D78 VanDerWaalsContact NE2-OD2 3.09Å
57	V	95.8	Very high	91.5	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	116.3	-173.9	-171.1	0	0	0	0	110.2	V28 L30 A47 L50 N75	V28-V57 HydrophobicContact CB-CG2 4.37Å; L30-V57 HydrophobicContact CB-CG1 3.98Å; L30-V57 HydrophobicContact CD2-CG1 4.35Å; A47-V57 HydrophobicContact CB-CG1 4.2Å; L50-V57 HydrophobicContact CB-CG2 3.5Å; L50-V57 VanDerWaalsContact CB-CG2 3.5Å; L50-V57 HydrophobicContact CD1-CG1 4.48Å; L50-V57 HydrophobicContact CD1-CG2 4.07Å; L50-V57 HydrophobicContact CG-CG2 4.43Å; V57-N75 PolarHBondContact N-ND2 3.18Å; V57-N75 PolarHBondContact O-ND2 2.9Å
58	T	96	Very high	91.1	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	121.5	162.6	-63.2	0	0	0	0	108.9	V28 L29 L30 D78 F80 R139	V28-T58 PolarHBondContact O-N 2.92Å; L29-T58 HydrophobicContact CD1-CG2 3.84Å; L30-T58 PolarHBondContact N-O 3.42Å; T58-D78 CarbonylContact C-O 3.48Å; T58-D78 HydrophobicContact CG2-CB 4.32Å; T58-F80 HydrophobicContact CG2-CD2 4.08Å; T58-F80 HydrophobicContact CG2-CE2 3.97Å; T58-R139 HydrophobicContact CG2-CG 4.15Å; T58-R139 PolarHBondContact OG1-NH2 2.71Å
59	T	96.4	Very high	90.8	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.4	-177.9	-57.1	0	0	0	0	111	L30 T43 L61 F73 D78 L79 F80	L30-T59 CarbonylContact O-C 3.38Å; L30-T59 WeakPolarHBondContact O-CA 3.23Å; T43-T59 HydrophobicContact CG2-CG2 3.93Å; T59-L61 HydrophobicContact CG2-CD2 4.18Å; T59-L61 HydrophobicContact CG2-CG 4.11Å; T59-F73 HydrophobicContact CG2-CD1 4.1Å; T59-F73 HydrophobicContact CG2-CE1 3.88Å; T59-D78 PolarHBondContact N-O 3.18Å; T59-L79 HydrophobicContact CG2-CD1 3.85Å; T59-L79 WeakPolarHBondContact O-CA 2.85Å; T59-F80 PolarHBondContact O-N 3.13Å
60	L	95.1	Very high	90.7	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.016	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	107.4	173.3	-180	60.9	0	0	0	110	L30 Y31 S32 A62 F80 V82 I130 I136 I140	L30-L60 PolarHBondContact O-N 2.72Å; Y31-L60 WeakPolarHBondContact CA-O 3.22Å; Y31-L60 HydrophobicContact CD2-CB 3.98Å; Y31-L60 HydrophobicContact CD2-CD2 3.61Å; Y31-L60 HydrophobicContact CD2-CG 3.69Å; Y31-L60 HydrophobicContact CE2-CD2 3.85Å; Y31-L60 HydrophobicContact CE2-CG 4.01Å; S32-L60 PolarHBondContact N-O 3.29Å; L60-A62 HydrophobicContact CG-CB 4.43Å; L60-F80 WeakPolarHBondContact CA-O 3.4Å; L60-F80 HydrophobicContact CD1-CB 3.48Å; L60-F80 VanDerWaalsContact CD1-CB 3.48Å; L60-V82 HydrophobicContact CD1-CG2 3.83Å; L60-I130 HydrophobicContact CD2-CD1 4.46Å; L60-I136 HydrophobicContact CD1-CD1 4.39Å; L60-I136 HydrophobicContact CD1-CG2 4.1Å; L60-I136 HydrophobicContact CD2-CG2 4.12Å; L60-I140 HydrophobicContact CD2-CD1 3.96Å
61	L	94.3	Very high	90.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	99.6	176.9	-66.9	-178.9	0	0	0	110.9	S32 T43 T59 T64 L70 F73 L79 F80 V82	S32-L61 CarbonylContact O-C 3.48Å; S32-L61 VanDerWaalsContact O-CA 3.3Å; S32-L61 WeakPolarHBondContact O-CA 3.39Å; T43-L61 HydrophobicContact CG2-CD2 3.8Å; T59-L61 HydrophobicContact CG2-CD2 4.18Å; T59-L61 HydrophobicContact CG2-CG 4.11Å; L61-T64 WeakPolarHBondContact CB-OG1 3.27Å; L61-T64 PolarHBondContact O-OG1 2.94Å; L61-L70 HydrophobicContact CD1-CD1 4.3Å; L61-L70 HydrophobicContact CD1-CD2 3.8Å; L61-F73 HydrophobicContact CD1-CE2 3.85Å; L61-F73 HydrophobicContact CD1-CZ 3.76Å; L61-F73 HydrophobicContact CD2-CZ 4.29Å; L61-F73 HydrophobicContact CG-CZ 4.44Å; L61-L79 HydrophobicContact CD1-CD1 4.08Å; L61-L79 HydrophobicContact CG-CD1 4.23Å; L61-F80 PolarHBondContact N-O 3.16Å; L61-V82 PolarHBondContact O-N 3.43Å
62	A	92	Very high	90.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	124.3	-174	0	0	0	0	0	113.1	Y31 S32 F33 L60 V82 T126 I130	Y31-A62 HydrophobicContact CE2-CB 3.71Å; S32-A62 PolarHBondContact O-N 2.9Å; F33-A62 WeakPolarHBondContact CD1-O 3.06Å; L60-A62 HydrophobicContact CG-CB 4.43Å; A62-V82 HydrophobicContact CB-CB 3.63Å; A62-V82 HydrophobicContact CB-CG1 4.26Å; A62-V82 HydrophobicContact CB-CG2 3.87Å; A62-T126 HydrophobicContact CB-CG2 3.67Å; A62-I130 HydrophobicContact CB-CD1 3.81Å
63	P	90.4	Very high	90.6	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.013	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-81	159.2	-10.5	31.9	-27	0	0	0	111.7	G34 M35 V82 I87 M122 T126	G34-P63 CarbonylContact C-O 3.59Å; G34-P63 WeakPolarHBondContact CA-O 3.28Å; G34-P63 PolarHBondContact N-O 2.78Å; M35-P63 HydrophobicContact CG-CG 3.95Å; M35-P63 WeakPolarHBondContact CG-O 3.37Å; M35-P63 PolarHBondContact N-O 2.83Å; M35-P63 VanDerWaalsContact N-O 3.14Å; M35-P63 HydrophobicContact SD-CG 4.28Å; P63-V82 CarbonylContact C-O 3.49Å; P63-V82 WeakPolarHBondContact CA-O 3.42Å; P63-I87 HydrophobicContact CB-CD1 3.65Å; P63-I87 HydrophobicContact CB-CG2 3.92Å; P63-I87 HydrophobicContact CG-CD1 4.06Å; P63-I87 HydrophobicContact CG-CG2 4Å; P63-M122 HydrophobicContact CG-CG 3.66Å; P63-M122 HydrophobicContact CG-SD 3.89Å; P63-T126 HydrophobicContact CB-CG2 4.26Å; P63-T126 WeakPolarHBondContact CB-OG1 3.42Å; P63-T126 WeakPolarHBondContact CG-OG1 3.5Å
64	T	86.3	Confident	90.7	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	145.5	173.7	-59.3	0	0	0	0	109.5	G34 L61 L70 V81 V82 A83	G34-T64 WeakPolarHBondContact CA-OG1 3.36Å; L61-T64 WeakPolarHBondContact CB-OG1 3.27Å; L61-T64 PolarHBondContact O-OG1 2.94Å; T64-L70 HydrophobicContact CG2-CD2 4.39Å; T64-V81 HydrophobicContact CG2-CG1 3.68Å; T64-V82 PolarHBondContact N-O 2.9Å; T64-A83 VanDerWaalsContact O-CA 3.27Å; T64-A83 WeakPolarHBondContact O-CA 3.42Å; T64-A83 VanDerWaalsContact O-CB 3.26Å; T64-A83 WeakPolarHBondContact O-CB 3.43Å
65	R	86.8	Confident	90.6	Very high	26 Å²	26	38 Å²	38	10%	0.098	19%	0.187	C	C	.	.			trans	-90.4	137.2	171.7	-77.3	174.8	53.8	-178	-4.9	109.8	M35 E67 V68 F91 E95	M35-R65 WeakPolarHBondContact O-CD 3.35Å; R65-E67 IonicContact CZ-OE2 2.81Å; R65-E67 IonicContact NE-OE2 3.73Å; R65-E67 PolarHBondContact NE-OE2 3.22Å; R65-E67 IonicContact NH2-OE2 2.97Å; R65-E67 PolarHBondContact NH2-OE2 2.64Å; R65-E67 PolarHBondContact O-N 2.95Å; R65-E67 VanDerWaalsContact O-N 3.09Å; R65-V68 HydrophobicContact CB-CG2 3.81Å; R65-V68 WeakPolarHBondContact O-CB 3.45Å; R65-V68 PolarHBondContact O-N 3.46Å; R65-F91 VanDerWaalsContact NH1-CD1 3.28Å; R65-E95 IonicContact CZ-OE1 3.13Å; R65-E95 IonicContact NH1-OE1 3.08Å; R65-E95 PolarHBondContact NH1-OE1 2.68Å
66	P	82.9	Confident	90.4	Very high	75 Å²	75	45.7 Å²	45.7	49%	0.487	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.6	179	-27	34.9	0	0	0	114.3	V68 A88	P66-V68 VanDerWaalsContact C-N 3.3Å; P66-V68 PolarHBondContact O-N 3.45Å; P66-A88 HydrophobicContact CG-CB 4.42Å
67	E	82.9	Confident	90.3	Very high	82 Å²	82	49.5 Å²	49.5	38%	0.383	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.7	-179.2	-44.5	82.1	-139.4	0	0	114.1	R65 K69 R92	R65-E67 IonicContact CZ-OE2 2.81Å; R65-E67 IonicContact NE-OE2 3.73Å; R65-E67 PolarHBondContact NE-OE2 3.22Å; R65-E67 IonicContact NH2-OE2 2.97Å; R65-E67 PolarHBondContact NH2-OE2 2.64Å; R65-E67 PolarHBondContact O-N 2.95Å; R65-E67 VanDerWaalsContact O-N 3.09Å; E67-K69 PolarHBondContact O-N 3.29Å; E67-R92 IonicContact OE1-CZ 3.7Å; E67-R92 IonicContact OE1-NE 2.64Å; E67-R92 IonicContact OE1-NH2 3.5Å; E67-R92 PolarHBondContact OE1-NH2 3.4Å
68	V	85.3	Confident	90.1	Very high	22 Å²	22	50.1 Å²	50.1	13%	0.133	24%	0.242	C	C	.	.			trans	-75.5	112.9	-176.3	172.7	0	0	0	0	109.6	A40 R65 P66 L70	A40-V68 HydrophobicContact CB-CG1 4.41Å; R65-V68 HydrophobicContact CB-CG2 3.81Å; R65-V68 WeakPolarHBondContact O-CB 3.45Å; R65-V68 PolarHBondContact O-N 3.46Å; P66-V68 VanDerWaalsContact C-N 3.3Å; P66-V68 PolarHBondContact O-N 3.45Å; V68-L70 HydrophobicContact CG1-CD2 4.08Å; V68-L70 PolarHBondContact O-N 3.16Å
69	K	87.1	Confident	90.1	Very high	149 Å²	149	52 Å²	52	65%	0.648	25%	0.252	S	S	*	.			trans	-66.5	103.4	169.8	-65.8	-178.4	-178.5	175.4	0	109.8	E67	E67-K69 PolarHBondContact O-N 3.29Å
70	L	90.6	Very high	90	Very high	62 Å²	62	53.8 Å²	53.8	33%	0.325	26%	0.259	S	S	.	.			trans	-73.1	139.8	178.2	-62.8	178.2	0	0	0	111.1	A40 L61 T64 V68 V81	A40-L70 HydrophobicContact CB-CD2 3.6Å; L61-L70 HydrophobicContact CD1-CD1 4.3Å; L61-L70 HydrophobicContact CD1-CD2 3.8Å; T64-L70 HydrophobicContact CG2-CD2 4.39Å; V68-L70 HydrophobicContact CG1-CD2 4.08Å; V68-L70 PolarHBondContact O-N 3.16Å; L70-V81 HydrophobicContact CD1-CG1 4.47Å; L70-V81 HydrophobicContact CD1-CG2 3.86Å
71	P	89.4	Confident	90	Very high	34 Å²	34	56.6 Å²	56.6	22%	0.221	28%	0.277	C	S	.	.			trans	-66.7	168.2	166.9	32.2	-36.9	0	0	0	110.8	M41 N44 F73	M41-P71 HydrophobicContact CG-CG 4.41Å; N44-P71 HydrophobicContact CB-CB 4.23Å; N44-P71 HydrophobicContact CB-CG 3.46Å; N44-P71 VanDerWaalsContact CB-CG 3.46Å; P71-F73 HydrophobicContact CG-CD2 4.22Å; P71-F73 HydrophobicContact CG-CE2 3.71Å; P71-F73 HydrophobicContact CG-CZ 4.29Å; P71-F73 VanDerWaalsContact O-CD2 3.31Å; P71-F73 WeakPolarHBondContact O-CD2 3.34Å; P71-F73 PolarHBondContact O-N 3.12Å; P71-F73 VanDerWaalsContact O-N 3.11Å
72	K	90.4	Very high	89.9	Confident	196 Å²	196	56.8 Å²	56.8	85%	0.852	28%	0.278	S	S	*	.			trans	-72.9	103.4	174	-171.8	179.2	-179.7	-176.9	0	109.4	N44	N44-K72 PolarHBondContact ND2-O 3.09Å
73	F	92.9	Very high	89.9	Confident	14 Å²	14	58.8 Å²	58.8	6%	0.061	29%	0.294	C	S	.	.			trans	-73.9	146.9	171.9	-77.6	-98.4	0	0	0	111.7	A40 T43 N44 A47 T59 L61 P71 L79	A40-F73 VanDerWaalsContact O-CZ 3.3Å; A40-F73 WeakPolarHBondContact O-CZ 3.42Å; T43-F73 HydrophobicContact CG2-CE1 4.08Å; N44-F73 HydrophobicContact CB-CD1 4.15Å; N44-F73 HydrophobicContact CB-CE1 3.7Å; N44-F73 HydrophobicContact CB-CE2 4.11Å; N44-F73 HydrophobicContact CB-CZ 3.67Å; N44-F73 VanDerWaalsContact ND2-CA 3.29Å; N44-F73 WeakPolarHBondContact ND2-CA 3.35Å; A47-F73 HydrophobicContact CB-CD1 4.08Å; A47-F73 HydrophobicContact CB-CE1 4.46Å; T59-F73 HydrophobicContact CG2-CD1 4.1Å; T59-F73 HydrophobicContact CG2-CE1 3.88Å; L61-F73 HydrophobicContact CD1-CE2 3.85Å; L61-F73 HydrophobicContact CD1-CZ 3.76Å; L61-F73 HydrophobicContact CD2-CZ 4.29Å; L61-F73 HydrophobicContact CG-CZ 4.44Å; P71-F73 HydrophobicContact CG-CD2 4.22Å; P71-F73 HydrophobicContact CG-CE2 3.71Å; P71-F73 HydrophobicContact CG-CZ 4.29Å; P71-F73 VanDerWaalsContact O-CD2 3.31Å; P71-F73 WeakPolarHBondContact O-CD2 3.34Å; P71-F73 PolarHBondContact O-N 3.12Å; P71-F73 VanDerWaalsContact O-N 3.11Å; F73-L79 HydrophobicContact CB-CD1 4.45Å; F73-L79 HydrophobicContact CB-CD2 4.14Å; F73-L79 HydrophobicContact CD1-CD1 4.31Å; F73-L79 HydrophobicContact CD2-CD1 4.25Å; F73-L79 HydrophobicContact CD2-CD2 4.08Å; F73-L79 HydrophobicContact CG-CD1 4.09Å; F73-L79 HydrophobicContact CG-CD2 4.27Å
74	P	90.9	Very high	89.7	Confident	26 Å²	26	59.7 Å²	59.7	17%	0.169	30%	0.3	C	S	.	.	S	Bend	trans	-65	159.4	161.3	31.6	-34.1	0	0	0	110	A47 T51	A47-P74 HydrophobicContact CB-CG 3.75Å; T51-P74 HydrophobicContact CG2-CB 3.99Å; T51-P74 WeakPolarHBondContact OG1-CB 3.46Å; T51-P74 WeakPolarHBondContact OG1-CG 3.35Å
75	N	89.2	Confident	89.7	Confident	35 Å²	35	64.8 Å²	64.8	19%	0.187	32%	0.324	C	S	.	.	S	Bend	trans	48.9	67.9	177.5	-48.7	-18.6	0	0	0	112.4	V57 E77 D78 L79	V57-N75 PolarHBondContact N-ND2 3.18Å; V57-N75 PolarHBondContact O-ND2 2.9Å; N75-E77 WeakPolarHBondContact CA-OE1 3.5Å; N75-E77 PolarHBondContact O-N 3.23Å; N75-D78 HydrophobicContact CB-CB 4.31Å; N75-D78 CarbonylContact O-C 3.47Å; N75-D78 PolarHBondContact O-N 3.35Å; N75-L79 PolarHBondContact O-N 2.91Å
76	K	89.8	Confident	89.7	Confident	172 Å²	172	68.8 Å²	68.8	75%	0.748	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-62.9	-31.8	-171.4	-174.8	-177.2	174.9	-170.5	0	112.1	D78 L79	K76-D78 PolarHBondContact O-N 3.3Å; K76-L79 PolarHBondContact O-N 2.94Å
77	E	91.1	Very high	89.7	Confident	133 Å²	133	65.4 Å²	65.4	62%	0.621	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-61	-28.5	173.1	60.1	-74.2	171.3	0	0	113	N75	N75-E77 WeakPolarHBondContact CA-OE1 3.5Å; N75-E77 PolarHBondContact O-N 3.23Å
78	D	93.4	Very high	89.8	Confident	15 Å²	15	61.5 Å²	61.5	8%	0.08	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-107.2	24	179.7	-64.8	-47.8	0	0	0	112.6	H56 T58 T59 N75 K76 R139	H56-D78 IonicContact CE1-OD2 3.41Å; H56-D78 PolarHBondContact CE1-OD2 3.45Å; H56-D78 IonicContact NE2-OD2 3.77Å; H56-D78 PolarHBondContact NE2-OD2 2.9Å; H56-D78 VanDerWaalsContact NE2-OD2 3.09Å; T58-D78 CarbonylContact C-O 3.48Å; T58-D78 HydrophobicContact CG2-CB 4.32Å; T59-D78 PolarHBondContact N-O 3.18Å; N75-D78 HydrophobicContact CB-CB 4.31Å; N75-D78 CarbonylContact O-C 3.47Å; N75-D78 PolarHBondContact O-N 3.35Å; K76-D78 PolarHBondContact O-N 3.3Å; D78-R139 IonicContact OD1-CZ 2.59Å; D78-R139 IonicContact OD1-NE 3.84Å; D78-R139 IonicContact OD1-NH1 3.93Å; D78-R139 PolarHBondContact OD1-NH1 3.38Å; D78-R139 IonicContact OD1-NH2 2.63Å; D78-R139 PolarHBondContact OD1-NH2 3.47Å; D78-R139 IonicContact OD2-NH2 2.82Å; D78-R139 PolarHBondContact OD2-NH2 3.48Å
79	L	95.5	Very high	89.7	Confident	40 Å²	40	62.4 Å²	62.4	21%	0.209	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	109.3	170.2	178.2	66.6	0	0	0	110.4	T59 L61 F73 N75 K76 V81	T59-L79 HydrophobicContact CG2-CD1 3.85Å; T59-L79 WeakPolarHBondContact O-CA 2.85Å; L61-L79 HydrophobicContact CD1-CD1 4.08Å; L61-L79 HydrophobicContact CG-CD1 4.23Å; F73-L79 HydrophobicContact CB-CD1 4.45Å; F73-L79 HydrophobicContact CB-CD2 4.14Å; F73-L79 HydrophobicContact CD1-CD1 4.31Å; F73-L79 HydrophobicContact CD2-CD1 4.25Å; F73-L79 HydrophobicContact CD2-CD2 4.08Å; F73-L79 HydrophobicContact CG-CD1 4.09Å; F73-L79 HydrophobicContact CG-CD2 4.27Å; N75-L79 PolarHBondContact O-N 2.91Å; K76-L79 PolarHBondContact O-N 2.94Å; L79-V81 HydrophobicContact CD1-CG2 4.35Å; L79-V81 HydrophobicContact CD2-CG2 4.31Å; L79-V81 HydrophobicContact CG-CG2 4.03Å
80	F	94.9	Very high	89.6	Confident	38 Å²	38	57.5 Å²	57.5	17%	0.167	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	122.9	175.8	-63	-91.8	0	0	0	109.8	T58 T59 L60 L61 V135 I136 R139	T58-F80 HydrophobicContact CG2-CD2 4.08Å; T58-F80 HydrophobicContact CG2-CE2 3.97Å; T59-F80 PolarHBondContact O-N 3.13Å; L60-F80 WeakPolarHBondContact CA-O 3.4Å; L60-F80 HydrophobicContact CD1-CB 3.48Å; L60-F80 VanDerWaalsContact CD1-CB 3.48Å; L61-F80 PolarHBondContact N-O 3.16Å; F80-V135 HydrophobicContact CE1-CG1 4.15Å; F80-I136 HydrophobicContact CD1-CG1 3.99Å; F80-R139 HydrophobicContact CD2-CG 4.42Å; F80-R139 HydrophobicContact CE1-CB 4.38Å; F80-R139 HydrophobicContact CE1-CG 4.47Å; F80-R139 HydrophobicContact CE2-CB 4.33Å; F80-R139 HydrophobicContact CE2-CG 3.59Å; F80-R139 HydrophobicContact CZ-CB 3.95Å; F80-R139 HydrophobicContact CZ-CG 3.61Å
81	V	94.1	Very high	89.2	Confident	62 Å²	62	55.5 Å²	55.5	38%	0.376	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	114.1	-178.1	-177.7	0	0	0	0	109.4	T64 L70 L79	T64-V81 HydrophobicContact CG2-CG1 3.68Å; L70-V81 HydrophobicContact CD1-CG1 4.47Å; L70-V81 HydrophobicContact CD1-CG2 3.86Å; L79-V81 HydrophobicContact CD1-CG2 4.35Å; L79-V81 HydrophobicContact CD2-CG2 4.31Å; L79-V81 HydrophobicContact CG-CG2 4.03Å
82	V	92.9	Very high	88.8	Confident	5 Å²	5	58.5 Å²	58.5	3%	0.03	29%	0.287	C	S	.	.			trans	-99.3	104.8	179.9	178.7	0	0	0	0	108.7	L60 L61 A62 P63 T64 P84 T126 T129 I130 I136	L60-V82 HydrophobicContact CD1-CG2 3.83Å; L61-V82 PolarHBondContact O-N 3.43Å; A62-V82 HydrophobicContact CB-CB 3.63Å; A62-V82 HydrophobicContact CB-CG1 4.26Å; A62-V82 HydrophobicContact CB-CG2 3.87Å; P63-V82 CarbonylContact C-O 3.49Å; P63-V82 WeakPolarHBondContact CA-O 3.42Å; T64-V82 PolarHBondContact N-O 2.9Å; V82-P84 VanDerWaalsContact C-CD 3.47Å; V82-P84 WeakPolarHBondContact O-CD 3.5Å; V82-T126 HydrophobicContact CG1-CG2 4.41Å; V82-T129 HydrophobicContact CG1-CG2 3.87Å; V82-I130 HydrophobicContact CG1-CG1 4.3Å; V82-I130 HydrophobicContact CG2-CG1 4.05Å; V82-I136 HydrophobicContact CG2-CD1 3.51Å
83	A	90.5	Very high	88.5	Confident	41 Å²	41	54.6 Å²	54.6	34%	0.339	27%	0.27	S	S	.	.			trans	-126.5	65.7	-175.4	0	0	0	0	0	112.6	T64 E85	T64-A83 VanDerWaalsContact O-CA 3.27Å; T64-A83 WeakPolarHBondContact O-CA 3.42Å; T64-A83 VanDerWaalsContact O-CB 3.26Å; T64-A83 WeakPolarHBondContact O-CB 3.43Å; A83-E85 PolarHBondContact O-N 3.42Å
84	P	86.5	Confident	88.1	Confident	21 Å²	21	55 Å²	55	14%	0.136	27%	0.272	C	S	.	.			trans	-66.9	131.2	178.8	27.9	-34.7	0	0	0	110.8	V82 E86 I87 A88 T129	V82-P84 VanDerWaalsContact C-CD 3.47Å; V82-P84 WeakPolarHBondContact O-CD 3.5Å; P84-E86 PolarHBondContact O-N 3.47Å; P84-I87 HydrophobicContact CG-CB 3.99Å; P84-I87 HydrophobicContact CG-CD1 3.34Å; P84-I87 HydrophobicContact CG-CG1 3.63Å; P84-I87 PolarHBondContact O-N 2.94Å; P84-A88 PolarHBondContact O-N 3.17Å; P84-T129 HydrophobicContact CB-CG2 4.48Å
85	E	86.1	Confident	87.7	Confident	112 Å²	112	53.9 Å²	53.9	52%	0.523	27%	0.265	S	S	.	.	H	α-helix	trans	-59	-32.3	-176.9	-171	59.2	-154.5	0	0	112.3	A83 I87 A88 S89	A83-E85 PolarHBondContact O-N 3.42Å; E85-I87 VanDerWaalsContact C-N 3.29Å; E85-I87 PolarHBondContact O-N 3.39Å; E85-A88 PolarHBondContact O-N 2.98Å; E85-S89 WeakPolarHBondContact O-CB 3.44Å; E85-S89 PolarHBondContact O-N 2.87Å
86	E	86.4	Confident	87.3	Confident	111 Å²	111	58.2 Å²	58.2	52%	0.519	28%	0.284	S	S	.	.	H	α-helix	trans	-58.5	-41.4	175.5	-167.4	-167.1	157.5	0	0	111.9	P84 S89 N90 T125	P84-E86 PolarHBondContact O-N 3.47Å; E86-S89 PolarHBondContact O-N 2.88Å; E86-N90 WeakPolarHBondContact O-CB 3.35Å; E86-N90 VanDerWaalsContact O-CG 3.24Å; E86-N90 PolarHBondContact O-N 2.94Å; E86-N90 PolarHBondContact O-ND2 2.91Å; E86-T125 HydrophobicContact CB-CG2 4.36Å; E86-T125 WeakPolarHBondContact OE2-CG2 3.22Å
87	I	84.7	Confident	86.8	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.015	27%	0.273	C	S	.	.	H	α-helix	trans	-70.6	-41.8	178.4	-64.5	-178.1	0	0	0	110.4	P63 P84 E85 S89 N90 F91 M122 T125 T126	P63-I87 HydrophobicContact CB-CD1 3.65Å; P63-I87 HydrophobicContact CB-CG2 3.92Å; P63-I87 HydrophobicContact CG-CD1 4.06Å; P63-I87 HydrophobicContact CG-CG2 4Å; P84-I87 HydrophobicContact CG-CB 3.99Å; P84-I87 HydrophobicContact CG-CD1 3.34Å; P84-I87 HydrophobicContact CG-CG1 3.63Å; P84-I87 PolarHBondContact O-N 2.94Å; E85-I87 VanDerWaalsContact C-N 3.29Å; E85-I87 PolarHBondContact O-N 3.39Å; I87-S89 VanDerWaalsContact C-N 3.31Å; I87-S89 PolarHBondContact O-N 3.21Å; I87-N90 PolarHBondContact O-N 2.82Å; I87-F91 VanDerWaalsContact O-CB 3.28Å; I87-F91 WeakPolarHBondContact O-CB 3.44Å; I87-F91 PolarHBondContact O-N 3.12Å; I87-M122 HydrophobicContact CD1-CG 4.12Å; I87-M122 WeakPolarHBondContact CD1-O 3.27Å; I87-M122 HydrophobicContact CG1-CG 4.43Å; I87-M122 HydrophobicContact CG2-CG 3.69Å; I87-M122 HydrophobicContact CG2-SD 3.69Å; I87-T125 HydrophobicContact CD1-CG2 4.08Å; I87-T125 HydrophobicContact CG1-CG2 3.85Å; I87-T126 WeakPolarHBondContact CD1-OG1 3.48Å
88	A	83.4	Confident	86.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-58.2	-45.7	175.2	0	0	0	0	0	111	P66 P84 E85 F91 R92	P66-A88 HydrophobicContact CG-CB 4.42Å; P84-A88 PolarHBondContact O-N 3.17Å; E85-A88 PolarHBondContact O-N 2.98Å; A88-F91 PolarHBondContact O-N 3.49Å; A88-R92 VanDerWaalsContact O-CG 3.29Å; A88-R92 WeakPolarHBondContact O-CG 3.09Å; A88-R92 PolarHBondContact O-N 3.22Å
89	S	84.7	Confident	85.9	Confident	42 Å²	42	48.5 Å²	48.5	29%	0.294	25%	0.245	S	C	.	.	H	α-helix	trans	-62.5	-48.5	176.3	-176.3	0	0	0	0	112.6	E85 E86 I87 F91 R92 K93	E85-S89 WeakPolarHBondContact O-CB 3.44Å; E85-S89 PolarHBondContact O-N 2.87Å; E86-S89 PolarHBondContact O-N 2.88Å; I87-S89 VanDerWaalsContact C-N 3.31Å; I87-S89 PolarHBondContact O-N 3.21Å; S89-F91 VanDerWaalsContact C-N 3.33Å; S89-F91 PolarHBondContact O-N 3.04Å; S89-R92 PolarHBondContact O-N 2.85Å; S89-K93 WeakPolarHBondContact O-CG 3.34Å; S89-K93 PolarHBondContact O-N 3.3Å
90	N	83.4	Confident	85.3	Confident	45 Å²	45	47.1 Å²	47.1	24%	0.241	24%	0.24	C	C	.	.	H	α-helix	trans	-62.8	-40	178.5	-75.6	-23.6	0	0	0	111.9	E86 I87 K93 M94	E86-N90 WeakPolarHBondContact O-CB 3.35Å; E86-N90 VanDerWaalsContact O-CG 3.24Å; E86-N90 PolarHBondContact O-N 2.94Å; E86-N90 PolarHBondContact O-ND2 2.91Å; I87-N90 PolarHBondContact O-N 2.82Å; N90-K93 PolarHBondContact O-N 2.99Å; N90-M94 WeakPolarHBondContact O-CB 3.37Å; N90-M94 PolarHBondContact O-N 2.94Å
91	F	82.4	Confident	84.8	Confident	21 Å²	21	50.5 Å²	50.5	9%	0.092	26%	0.255	C	S	.	.	H	α-helix	trans	-66	-44.7	176.2	-166.5	-79.6	0	0	0	111.5	M35 R65 I87 A88 S89 K93 M94 E95	M35-F91 HydrophobicContact SD-CD2 4.49Å; M35-F91 HydrophobicContact SD-CE2 4.37Å; R65-F91 VanDerWaalsContact NH1-CD1 3.28Å; I87-F91 VanDerWaalsContact O-CB 3.28Å; I87-F91 WeakPolarHBondContact O-CB 3.44Å; I87-F91 PolarHBondContact O-N 3.12Å; A88-F91 PolarHBondContact O-N 3.49Å; S89-F91 VanDerWaalsContact C-N 3.33Å; S89-F91 PolarHBondContact O-N 3.04Å; F91-K93 VanDerWaalsContact C-N 3.32Å; F91-K93 PolarHBondContact O-N 3.27Å; F91-M94 HydrophobicContact CD2-CE 3.69Å; F91-M94 HydrophobicContact CE1-CE 4.42Å; F91-M94 HydrophobicContact CE2-CE 3.52Å; F91-M94 HydrophobicContact CG-CE 4.24Å; F91-M94 HydrophobicContact CZ-CE 3.91Å; F91-M94 WeakPolarHBondContact O-CB 3.32Å; F91-M94 PolarHBondContact O-N 3.42Å; F91-M94 VanDerWaalsContact O-N 3.16Å; F91-E95 HydrophobicContact CD1-CB 4.39Å; F91-E95 HydrophobicContact CE1-CB 4.33Å; F91-E95 VanDerWaalsContact O-CB 3.3Å; F91-E95 WeakPolarHBondContact O-CB 3.37Å; F91-E95 PolarHBondContact O-N 3.02Å
92	R	82.7	Confident	84.4	Confident	96 Å²	96	48.7 Å²	48.7	36%	0.362	24%	0.243	S	C	.	.	H	α-helix	trans	-58.4	-43.3	175.7	-73.1	174.8	-168.3	166	6.3	111.5	E67 A88 S89 E95 Q96	E67-R92 IonicContact OE1-CZ 3.7Å; E67-R92 IonicContact OE1-NE 2.64Å; E67-R92 IonicContact OE1-NH2 3.5Å; E67-R92 PolarHBondContact OE1-NH2 3.4Å; A88-R92 VanDerWaalsContact O-CG 3.29Å; A88-R92 WeakPolarHBondContact O-CG 3.09Å; A88-R92 PolarHBondContact O-N 3.22Å; S89-R92 PolarHBondContact O-N 2.85Å; R92-E95 PolarHBondContact O-N 2.84Å; R92-Q96 WeakPolarHBondContact O-CG 3.43Å; R92-Q96 PolarHBondContact O-N 3.14Å
93	K	83.4	Confident	84	Confident	115 Å²	115	48.5 Å²	48.5	50%	0.5	24%	0.241	S	C	.	.	H	α-helix	trans	-61.9	-42.8	175.1	-71.2	174	-175.2	173.6	0	112	S89 N90 F91 N97	S89-K93 WeakPolarHBondContact O-CG 3.34Å; S89-K93 PolarHBondContact O-N 3.3Å; N90-K93 PolarHBondContact O-N 2.99Å; F91-K93 VanDerWaalsContact C-N 3.32Å; F91-K93 PolarHBondContact O-N 3.27Å; K93-N97 VanDerWaalsContact O-CB 3.25Å; K93-N97 WeakPolarHBondContact O-CB 3.49Å; K93-N97 PolarHBondContact O-N 3.5Å; K93-N97 PolarHBondContact O-ND2 2.88Å
94	M	83.7	Confident	83.8	Confident	21 Å²	21	47.6 Å²	47.6	10%	0.103	23%	0.231	C	C	.	.	H	α-helix	trans	-64.7	-45.4	176.1	-177.9	-166.9	69.3	0	0	111.5	N90 F91 Q96 T98 L99 M115	N90-M94 WeakPolarHBondContact O-CB 3.37Å; N90-M94 PolarHBondContact O-N 2.94Å; F91-M94 HydrophobicContact CD2-CE 3.69Å; F91-M94 HydrophobicContact CE1-CE 4.42Å; F91-M94 HydrophobicContact CE2-CE 3.52Å; F91-M94 HydrophobicContact CG-CE 4.24Å; F91-M94 HydrophobicContact CZ-CE 3.91Å; F91-M94 WeakPolarHBondContact O-CB 3.32Å; F91-M94 PolarHBondContact O-N 3.42Å; F91-M94 VanDerWaalsContact O-N 3.16Å; M94-Q96 PolarHBondContact O-N 3.46Å; M94-T98 CarbonylContact O-C 3.58Å; M94-T98 WeakPolarHBondContact O-CA 3.47Å; M94-T98 VanDerWaalsContact O-CB 3.27Å; M94-T98 WeakPolarHBondContact O-CB 3.47Å; M94-T98 PolarHBondContact O-N 3.17Å; M94-L99 PolarHBondContact O-N 3.35Å; M94-M115 HydrophobicContact SD-CG 4.33Å
95	E	82.8	Confident	83.5	Confident	3 Å²	3	48.6 Å²	48.6	1%	0.014	25%	0.245	C	C	.	.	I	π-helix	trans	-57.1	-48.8	178.7	-174.2	-179.9	-97.1	0	0	110.7	R65 F91 R92 L99 G100 K316 L319	R65-E95 IonicContact CZ-OE1 3.13Å; R65-E95 IonicContact NH1-OE1 3.08Å; R65-E95 PolarHBondContact NH1-OE1 2.68Å; F91-E95 HydrophobicContact CD1-CB 4.39Å; F91-E95 HydrophobicContact CE1-CB 4.33Å; F91-E95 VanDerWaalsContact O-CB 3.3Å; F91-E95 WeakPolarHBondContact O-CB 3.37Å; F91-E95 PolarHBondContact O-N 3.02Å; R92-E95 PolarHBondContact O-N 2.84Å; E95-L99 HydrophobicContact CG-CD2 4.44Å; E95-L99 WeakPolarHBondContact O-CB 3.32Å; E95-L99 PolarHBondContact O-N 2.75Å; E95-G100 PolarHBondContact O-N 3.38Å; E95-K316 VanDerWaalsContact OE2-CE 3.29Å; E95-K316 WeakPolarHBondContact OE2-CE 3.33Å; E95-K316 IonicContact OE2-NZ 3.43Å; E95-K316 PolarHBondContact OE2-NZ 3.32Å; E95-L319 HydrophobicContact CG-CD1 3.83Å
96	Q	80.3	Confident	83	Confident	126 Å²	126	49.3 Å²	49.3	59%	0.589	25%	0.247	S	C	*	.	I	π-helix	trans	-72	-51.5	179.7	-70.1	175.1	-15.3	0	0	113.1	R92 M94	R92-Q96 WeakPolarHBondContact O-CG 3.43Å; R92-Q96 PolarHBondContact O-N 3.14Å; M94-Q96 PolarHBondContact O-N 3.46Å
97	N	80.8	Confident	82.1	Confident	98 Å²	98	47.3 Å²	47.3	52%	0.524	25%	0.245	S	C	.	.	I	π-helix	trans	-88	-23.6	-167	-65.5	-33.9	0	0	0	114.1	K93 K101	K93-N97 VanDerWaalsContact O-CB 3.25Å; K93-N97 WeakPolarHBondContact O-CB 3.49Å; K93-N97 PolarHBondContact O-N 3.5Å; K93-N97 PolarHBondContact O-ND2 2.88Å; N97-K101 WeakPolarHBondContact O-CD 3.48Å; N97-K101 WeakPolarHBondContact O-CE 3.35Å
98	T	82.9	Confident	81.1	Confident	10 Å²	10	51.3 Å²	51.3	6%	0.061	27%	0.269	C	S	.	.	I	π-helix	trans	-116.5	-55.7	-174.6	-50.1	0	0	0	0	110.5	M94 G100 K101 I102 Q111 I114	M94-T98 CarbonylContact O-C 3.58Å; M94-T98 WeakPolarHBondContact O-CA 3.47Å; M94-T98 VanDerWaalsContact O-CB 3.27Å; M94-T98 WeakPolarHBondContact O-CB 3.47Å; M94-T98 PolarHBondContact O-N 3.17Å; T98-G100 PolarHBondContact O-N 2.96Å; T98-K101 PolarHBondContact O-N 2.69Å; T98-K101 VanDerWaalsContact O-N 3.09Å; T98-I102 HydrophobicContact CG2-CD1 4.03Å; T98-I102 WeakPolarHBondContact O-CG1 3.33Å; T98-I102 PolarHBondContact O-N 3.1Å; T98-Q111 HydrophobicContact CG2-CB 3.89Å; T98-Q111 HydrophobicContact CG2-CG 4.24Å; T98-I114 HydrophobicContact CG2-CB 4.41Å; T98-I114 HydrophobicContact CG2-CG2 4.26Å
99	L	82.5	Confident	80.6	Confident	8 Å²	8	58.9 Å²	58.9	4%	0.042	31%	0.307	C	S	.	.	I	π-helix	trans	-64.4	-42.5	-174.6	-162.7	64.8	0	0	0	111.8	M94 E95 K101 I102 I103 V314 F404	M94-L99 PolarHBondContact O-N 3.35Å; E95-L99 HydrophobicContact CG-CD2 4.44Å; E95-L99 WeakPolarHBondContact O-CB 3.32Å; E95-L99 PolarHBondContact O-N 2.75Å; L99-K101 PolarHBondContact O-N 3.07Å; L99-I102 PolarHBondContact O-N 3.44Å; L99-I102 VanDerWaalsContact O-N 3.14Å; L99-I103 HydrophobicContact CD2-CD1 4.3Å; L99-I103 HydrophobicContact CG-CD1 3.8Å; L99-I103 HydrophobicContact CG-CG1 4.25Å; L99-I103 WeakPolarHBondContact O-CB 3.39Å; L99-I103 WeakPolarHBondContact O-CD1 3.48Å; L99-I103 WeakPolarHBondContact O-CG1 3.23Å; L99-I103 PolarHBondContact O-N 2.63Å; L99-V314 HydrophobicContact CD2-CG1 4.34Å; L99-F404 HydrophobicContact CD1-CB 4.27Å; L99-F404 HydrophobicContact CD1-CD1 3.49Å; L99-F404 VanDerWaalsContact CD1-CD1 3.49Å; L99-F404 HydrophobicContact CD1-CD2 4Å; L99-F404 HydrophobicContact CD1-CE1 3.72Å; L99-F404 HydrophobicContact CD1-CE2 4.21Å; L99-F404 HydrophobicContact CD1-CG 3.65Å; L99-F404 HydrophobicContact CD1-CZ 4.08Å; L99-F404 HydrophobicContact CD2-CE1 4.05Å; L99-F404 HydrophobicContact CD2-CZ 4.09Å; L99-F404 HydrophobicContact CG-CD1 4.28Å; L99-F404 HydrophobicContact CG-CE1 4.15Å
100	G	83.4	Confident	80.1	Confident	11 Å²	11	65.8 Å²	65.8	11%	0.113	33%	0.327	C	S	.	.	H	α-helix	trans	-56.6	-35.1	173.6	0	0	0	0	0	113.7	E95 T98 N104	E95-G100 PolarHBondContact O-N 3.38Å; T98-G100 PolarHBondContact O-N 2.96Å; G100-N104 PolarHBondContact O-N 2.89Å; G100-N104 PolarHBondContact O-ND2 3.28Å
101	K	84.4	Confident	79.9	Confident	110 Å²	110	64.5 Å²	64.5	48%	0.478	32%	0.319	S	S	.	.	H	α-helix	trans	-73.7	-40.1	175.9	-64.4	-177.9	-176	172.3	0	112.2	N97 T98 L99 G105 K106	N97-K101 WeakPolarHBondContact O-CD 3.48Å; N97-K101 WeakPolarHBondContact O-CE 3.35Å; T98-K101 PolarHBondContact O-N 2.69Å; T98-K101 VanDerWaalsContact O-N 3.09Å; L99-K101 PolarHBondContact O-N 3.07Å; K101-G105 PolarHBondContact O-N 3.37Å; K101-K106 HydrophobicContact CB-CB 4.41Å; K101-K106 WeakPolarHBondContact O-CB 3.24Å; K101-K106 PolarHBondContact O-N 2.72Å
102	I	84.4	Confident	79.6	Confident	24 Å²	24	66.3 Å²	66.3	12%	0.123	33%	0.329	C	S	.	.	H	α-helix	trans	-62.8	-49.2	175.7	-64	173.5	0	0	0	110	T98 L99 N104 G105 Q111 L403 F404	T98-I102 HydrophobicContact CG2-CD1 4.03Å; T98-I102 WeakPolarHBondContact O-CG1 3.33Å; T98-I102 PolarHBondContact O-N 3.1Å; L99-I102 PolarHBondContact O-N 3.44Å; L99-I102 VanDerWaalsContact O-N 3.14Å; I102-N104 VanDerWaalsContact C-N 3.28Å; I102-N104 PolarHBondContact O-N 2.74Å; I102-G105 PolarHBondContact O-N 2.72Å; I102-Q111 HydrophobicContact CD1-CB 4.15Å; I102-Q111 HydrophobicContact CG1-CB 4.01Å; I102-L403 WeakPolarHBondContact CG2-O 3.13Å; I102-F404 HydrophobicContact CG2-CB 4Å
103	I	85.7	Confident	79.5	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-53.9	-46.3	179.7	-72.2	161.1	0	0	0	110.1	L99 G105 V315 L319 I320 L403 F404 I425	L99-I103 HydrophobicContact CD2-CD1 4.3Å; L99-I103 HydrophobicContact CG-CD1 3.8Å; L99-I103 HydrophobicContact CG-CG1 4.25Å; L99-I103 WeakPolarHBondContact O-CB 3.39Å; L99-I103 WeakPolarHBondContact O-CD1 3.48Å; L99-I103 WeakPolarHBondContact O-CG1 3.23Å; L99-I103 PolarHBondContact O-N 2.63Å; I103-G105 PolarHBondContact O-N 3.28Å; I103-V315 HydrophobicContact CD1-CB 4.3Å; I103-V315 HydrophobicContact CD1-CG1 3.7Å; I103-V315 HydrophobicContact CD1-CG2 3.75Å; I103-V315 HydrophobicContact CG1-CG2 4.25Å; I103-L319 HydrophobicContact CD1-CB 4.23Å; I103-L319 HydrophobicContact CD1-CD1 4.2Å; I103-I320 HydrophobicContact CG2-CG1 4.2Å; I103-L403 HydrophobicContact CG1-CB 4.3Å; I103-L403 HydrophobicContact CG2-CD2 4.38Å; I103-F404 HydrophobicContact CG1-CD1 4.37Å; I103-I425 HydrophobicContact CG2-CD1 3.9Å; I103-I425 WeakPolarHBondContact O-CG2 3.48Å
104	N	84.8	Confident	79.5	Confident	22 Å²	22	63.8 Å²	63.8	12%	0.118	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	20.6	-178.4	-61.8	-67.7	0	0	0	113.4	G100 I102 K106 L319 E321	G100-N104 PolarHBondContact O-N 2.89Å; G100-N104 PolarHBondContact O-ND2 3.28Å; I102-N104 VanDerWaalsContact C-N 3.28Å; I102-N104 PolarHBondContact O-N 2.74Å; N104-K106 PolarHBondContact O-N 2.96Å; N104-K106 VanDerWaalsContact O-N 3.14Å; N104-L319 PolarHBondContact ND2-O 3.31Å; N104-E321 HydrophobicContact CB-CG 4.25Å; N104-E321 WeakPolarHBondContact OD1-CG 3.41Å; N104-E321 PolarHBondContact OD1-N 3.16Å; N104-E321 VanDerWaalsContact OD1-N 3.11Å
105	G	80.4	Confident	79.4	Confident	43 Å²	43	65 Å²	65	44%	0.443	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	15.1	174.4	0	0	0	0	0	115.8	K101 I102 I103 S107	K101-G105 PolarHBondContact O-N 3.37Å; I102-G105 PolarHBondContact O-N 2.72Å; I103-G105 PolarHBondContact O-N 3.28Å; G105-S107 PolarHBondContact O-N 3.33Å; G105-S107 VanDerWaalsContact O-N 3.14Å
106	K	76.8	Confident	79.5	Confident	127 Å²	127	67 Å²	67	55%	0.552	35%	0.347	S	S	*	.			trans	-82.9	26	173.5	-60.6	177.1	-173.4	164	0	111.3	K101 N104 V108 Q111 E321	K101-K106 HydrophobicContact CB-CB 4.41Å; K101-K106 WeakPolarHBondContact O-CB 3.24Å; K101-K106 PolarHBondContact O-N 2.72Å; N104-K106 PolarHBondContact O-N 2.96Å; N104-K106 VanDerWaalsContact O-N 3.14Å; K106-V108 PolarHBondContact O-N 3.38Å; K106-Q111 PolarHBondContact O-NE2 3.12Å; K106-E321 VanDerWaalsContact CE-OE1 3.29Å; K106-E321 WeakPolarHBondContact CE-OE1 3.49Å; K106-E321 IonicContact NZ-OE1 3.97Å; K106-E321 PolarHBondContact NZ-OE1 3.27Å
107	S	66.5	Low	79.7	Confident	68 Å²	68	69.7 Å²	69.7	48%	0.476	35%	0.352	S	S	.	.			trans	-79.2	121.3	-170.2	-172	0	0	0	0	111.7	G105	G105-S107 PolarHBondContact O-N 3.33Å; G105-S107 VanDerWaalsContact O-N 3.14Å
108	V	64.8	Low	80	Confident	88 Å²	88	65.9 Å²	65.9	53%	0.533	33%	0.333	S	S	.	.			trans	-109.7	150.6	166.6	-134.3	0	0	0	0	107.1	K106 W110 Q111	K106-V108 PolarHBondContact O-N 3.38Å; V108-W110 PolarHBondContact O-N 3.22Å; V108-Q111 PolarHBondContact O-N 2.88Å
109	M	71.3	Confident	80.1	Confident	159 Å²	159	68.6 Å²	68.6	78%	0.783	35%	0.345	S	S	*	.	H	α-helix	trans	-42.8	-31.5	176	-174.1	-178.4	-74.7	0	0	113.6	Q111 L112 V113	M109-Q111 VanDerWaalsContact C-N 3.33Å; M109-Q111 PolarHBondContact O-N 3.43Å; M109-L112 WeakPolarHBondContact O-CB 3.31Å; M109-L112 PolarHBondContact O-N 3.47Å; M109-V113 PolarHBondContact O-N 2.91Å
110	W	75.4	Confident	80.4	Confident	187 Å²	187	69.9 Å²	69.9	71%	0.708	35%	0.351	S	S	*	.	H	α-helix	trans	-56.1	-35.2	173	-72	121.7	0	0	0	115.7	V108 L112 V113 I114	V108-W110 PolarHBondContact O-N 3.22Å; W110-L112 VanDerWaalsContact C-N 3.35Å; W110-V113 WeakPolarHBondContact O-CB 3.41Å; W110-V113 PolarHBondContact O-N 3.28Å; W110-I114 WeakPolarHBondContact O-CG1 3.09Å; W110-I114 PolarHBondContact O-N 3.05Å
111	Q	79.3	Confident	80.7	Confident	17 Å²	17	72.5 Å²	72.5	8%	0.079	36%	0.362	C	S	.	.	H	α-helix	trans	-69.7	-34.5	178.7	-69.7	170.2	22.7	0	0	111.6	T98 I102 K106 V108 M109 V113 I114 M115	T98-Q111 HydrophobicContact CG2-CB 3.89Å; T98-Q111 HydrophobicContact CG2-CG 4.24Å; I102-Q111 HydrophobicContact CD1-CB 4.15Å; I102-Q111 HydrophobicContact CG1-CB 4.01Å; K106-Q111 PolarHBondContact O-NE2 3.12Å; V108-Q111 PolarHBondContact O-N 2.88Å; M109-Q111 VanDerWaalsContact C-N 3.33Å; M109-Q111 PolarHBondContact O-N 3.43Å; Q111-V113 VanDerWaalsContact C-N 3.33Å; Q111-I114 PolarHBondContact O-N 3.33Å; Q111-M115 PolarHBondContact O-N 2.67Å
112	L	76.3	Confident	80.9	Confident	60 Å²	60	67.9 Å²	67.9	31%	0.314	34%	0.343	S	S	.	.	H	α-helix	trans	-63.1	-41.2	172.3	-176.4	63.8	0	0	0	110.8	M109 W110 I114 M115 L116 F199	M109-L112 WeakPolarHBondContact O-CB 3.31Å; M109-L112 PolarHBondContact O-N 3.47Å; W110-L112 VanDerWaalsContact C-N 3.35Å; L112-I114 PolarHBondContact O-N 2.93Å; L112-M115 PolarHBondContact O-N 2.78Å; L112-L116 HydrophobicContact CG-CD1 4.25Å; L112-L116 VanDerWaalsContact O-CG 3.29Å; L112-L116 WeakPolarHBondContact O-CG 3.19Å; L112-L116 PolarHBondContact O-N 3.35Å; L112-F199 HydrophobicContact CD1-CD1 4.02Å; L112-F199 HydrophobicContact CD1-CE1 3.88Å; L112-F199 HydrophobicContact CD1-CZ 4.46Å; L112-F199 HydrophobicContact CD2-CD1 4.37Å; L112-F199 HydrophobicContact CD2-CD2 4.4Å; L112-F199 HydrophobicContact CD2-CG 4.26Å
113	V	80.4	Confident	81.1	Confident	73 Å²	73	67.7 Å²	67.7	44%	0.442	34%	0.341	S	S	.	.	H	α-helix	trans	-62	-42.7	175	177.3	0	0	0	0	111.6	M109 W110 Q111 L116 R117	M109-V113 PolarHBondContact O-N 2.91Å; W110-V113 WeakPolarHBondContact O-CB 3.41Å; W110-V113 PolarHBondContact O-N 3.28Å; Q111-V113 VanDerWaalsContact C-N 3.33Å; V113-L116 PolarHBondContact O-N 3.16Å; V113-R117 PolarHBondContact O-N 3.07Å
114	I	82.6	Confident	81.4	Confident	85 Å²	85	69.4 Å²	69.4	44%	0.436	35%	0.35	S	S	.	.	H	α-helix	trans	-62.8	-43.6	176.2	-67	166.8	0	0	0	110.8	T98 W110 Q111 L112 R117 S118	T98-I114 HydrophobicContact CG2-CB 4.41Å; T98-I114 HydrophobicContact CG2-CG2 4.26Å; W110-I114 WeakPolarHBondContact O-CG1 3.09Å; W110-I114 PolarHBondContact O-N 3.05Å; Q111-I114 PolarHBondContact O-N 3.33Å; L112-I114 PolarHBondContact O-N 2.93Å; I114-R117 PolarHBondContact O-N 2.67Å; I114-S118 WeakPolarHBondContact O-CB 3.16Å; I114-S118 PolarHBondContact O-N 3.24Å
115	M	82.2	Confident	81.8	Confident	45 Å²	45	69.3 Å²	69.3	22%	0.222	35%	0.35	C	S	.	.	H	α-helix	trans	-61	-45.8	177.3	-176.2	175.4	171.4	0	0	111.2	M94 Q111 L112 R117 S118 M119	M94-M115 HydrophobicContact SD-CG 4.33Å; Q111-M115 PolarHBondContact O-N 2.67Å; L112-M115 PolarHBondContact O-N 2.78Å; M115-R117 PolarHBondContact O-N 2.92Å; M115-S118 WeakPolarHBondContact O-CB 3.4Å; M115-S118 PolarHBondContact O-N 2.72Å; M115-M119 HydrophobicContact CE-SD 4.25Å; M115-M119 HydrophobicContact CG-SD 4.49Å; M115-M119 WeakPolarHBondContact O-CG 3.26Å; M115-M119 PolarHBondContact O-N 2.93Å
116	L	83.6	Confident	82.4	Confident	47 Å²	47	67.3 Å²	67.3	25%	0.246	33%	0.329	C	S	.	.	H	α-helix	trans	-60.9	-41.7	176.2	-71.2	166.2	0	0	0	112.3	L112 V113 M119 H120 F199 L227	L112-L116 HydrophobicContact CG-CD1 4.25Å; L112-L116 VanDerWaalsContact O-CG 3.29Å; L112-L116 WeakPolarHBondContact O-CG 3.19Å; L112-L116 PolarHBondContact O-N 3.35Å; V113-L116 PolarHBondContact O-N 3.16Å; L116-M119 PolarHBondContact O-N 3.24Å; L116-H120 PolarHBondContact O-N 2.67Å; L116-F199 HydrophobicContact CD2-CZ 4.27Å; L116-L227 HydrophobicContact CD1-CD1 3.65Å; L116-L227 HydrophobicContact CD2-CD1 4.29Å
117	R	85.6	Confident	83.1	Confident	182 Å²	182	61.2 Å²	61.2	69%	0.687	30%	0.303	S	S	*	.	H	α-helix	trans	-65.9	-39	175.4	-176.1	175.3	179.2	164.9	-0.7	112.2	V113 I114 M115 H120 N121	V113-R117 PolarHBondContact O-N 3.07Å; I114-R117 PolarHBondContact O-N 2.67Å; M115-R117 PolarHBondContact O-N 2.92Å; R117-H120 WeakPolarHBondContact O-CB 3.38Å; R117-H120 PolarHBondContact O-N 2.69Å; R117-N121 PolarHBondContact O-N 3.36Å
118	S	86.1	Confident	84.4	Confident	18 Å²	18	59.8 Å²	59.8	13%	0.126	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-43.9	176	-174.4	0	0	0	0	111.2	I114 M115 H120 N121 M122	I114-S118 WeakPolarHBondContact O-CB 3.16Å; I114-S118 PolarHBondContact O-N 3.24Å; M115-S118 WeakPolarHBondContact O-CB 3.4Å; M115-S118 PolarHBondContact O-N 2.72Å; S118-H120 PolarHBondContact O-N 2.97Å; S118-N121 PolarHBondContact O-N 3.23Å; S118-M122 VanDerWaalsContact O-CB 3.26Å; S118-M122 WeakPolarHBondContact O-CB 3.34Å; S118-M122 PolarHBondContact O-N 3.15Å
119	M	84.5	Confident	85.8	Confident	66 Å²	66	57.9 Å²	57.9	33%	0.325	28%	0.282	S	S	.	.	H	α-helix	trans	-60.5	-43.6	173.7	-70.3	-178.3	73.4	0	0	111.9	M115 L116 M122 M123	M115-M119 HydrophobicContact CE-SD 4.25Å; M115-M119 HydrophobicContact CG-SD 4.49Å; M115-M119 WeakPolarHBondContact O-CG 3.26Å; M115-M119 PolarHBondContact O-N 2.93Å; L116-M119 PolarHBondContact O-N 3.24Å; M119-M122 HydrophobicContact CG-CE 4.24Å; M119-M122 PolarHBondContact O-N 3.06Å; M119-M123 VanDerWaalsContact O-CG 3.28Å; M119-M123 WeakPolarHBondContact O-CG 3.48Å; M119-M123 PolarHBondContact O-N 3.1Å
120	H	89.4	Confident	86.8	Confident	36 Å²	36	50.4 Å²	50.4	17%	0.167	25%	0.245	C	C	.	.	H	α-helix	trans	-55.4	-55.2	174.1	173.6	72.6	0	0	0	111.8	L116 R117 S118 M122 M123 M124 T231	L116-H120 PolarHBondContact O-N 2.67Å; R117-H120 WeakPolarHBondContact O-CB 3.38Å; R117-H120 PolarHBondContact O-N 2.69Å; S118-H120 PolarHBondContact O-N 2.97Å; H120-M122 VanDerWaalsContact C-N 3.29Å; H120-M122 PolarHBondContact O-N 3.31Å; H120-M123 PolarHBondContact O-N 3.23Å; H120-M124 WeakPolarHBondContact O-CG 3.04Å; H120-M124 PolarHBondContact O-N 3.04Å; H120-T231 HydrophobicContact CB-CG2 4.43Å; H120-T231 WeakPolarHBondContact ND1-CB 3.34Å; H120-T231 WeakPolarHBondContact ND1-CG2 3.25Å; H120-T231 PolarHBondContact ND1-OG1 2.85Å
121	N	89.9	Confident	87.6	Confident	65 Å²	65	41.6 Å²	41.6	35%	0.348	21%	0.212	S	C	.	.	H	α-helix	trans	-58.4	-44	-179.6	-72.6	-2.7	0	0	0	111.3	R117 S118 M123 M124 T125	R117-N121 PolarHBondContact O-N 3.36Å; S118-N121 PolarHBondContact O-N 3.23Å; N121-M123 PolarHBondContact O-N 3.05Å; N121-M124 PolarHBondContact O-N 3.19Å; N121-T125 WeakPolarHBondContact O-CB 3.37Å; N121-T125 PolarHBondContact O-N 3.34Å; N121-T125 PolarHBondContact O-OG1 2.88Å; N121-T125 VanDerWaalsContact O-OG1 3.1Å
122	M	88.5	Confident	88.1	Confident	14 Å²	14	45.4 Å²	45.4	7%	0.069	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-44.9	178.6	175.8	163	48.4	0	0	112.4	M35 P63 I87 S118 M119 H120 T126	M35-M122 HydrophobicContact CE-CE 4.4Å; M35-M122 HydrophobicContact CG-SD 4.34Å; M35-M122 HydrophobicContact SD-CE 3.58Å; M35-M122 VanDerWaalsContact SD-CE 3.58Å; M35-M122 HydrophobicContact SD-SD 3.24Å; P63-M122 HydrophobicContact CG-CG 3.66Å; P63-M122 HydrophobicContact CG-SD 3.89Å; I87-M122 HydrophobicContact CD1-CG 4.12Å; I87-M122 WeakPolarHBondContact CD1-O 3.27Å; I87-M122 HydrophobicContact CG1-CG 4.43Å; I87-M122 HydrophobicContact CG2-CG 3.69Å; I87-M122 HydrophobicContact CG2-SD 3.69Å; S118-M122 VanDerWaalsContact O-CB 3.26Å; S118-M122 WeakPolarHBondContact O-CB 3.34Å; S118-M122 PolarHBondContact O-N 3.15Å; M119-M122 HydrophobicContact CG-CE 4.24Å; M119-M122 PolarHBondContact O-N 3.06Å; H120-M122 VanDerWaalsContact C-N 3.29Å; H120-M122 PolarHBondContact O-N 3.31Å; M122-T126 VanDerWaalsContact O-CB 3.29Å; M122-T126 WeakPolarHBondContact O-CB 3.28Å; M122-T126 PolarHBondContact O-N 3.46Å; M122-T126 PolarHBondContact O-OG1 2.73Å
123	M	89.7	Confident	88.9	Confident	19 Å²	19	45.4 Å²	45.4	9%	0.094	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-40.3	176.3	-69.3	169.4	64.3	0	0	112.1	M119 H120 N121 C127 I153 D154 T231 L232	M119-M123 VanDerWaalsContact O-CG 3.28Å; M119-M123 WeakPolarHBondContact O-CG 3.48Å; M119-M123 PolarHBondContact O-N 3.1Å; H120-M123 PolarHBondContact O-N 3.23Å; N121-M123 PolarHBondContact O-N 3.05Å; M123-C127 VanDerWaalsContact O-CB 3.25Å; M123-C127 WeakPolarHBondContact O-CB 3.48Å; M123-C127 PolarHBondContact O-N 2.89Å; M123-I153 WeakPolarHBondContact CE-O 3.47Å; M123-D154 HydrophobicContact CE-CB 4.15Å; M123-T231 HydrophobicContact CB-CG2 4.49Å; M123-T231 HydrophobicContact CE-CG2 3.88Å; M123-T231 HydrophobicContact SD-CG2 4.01Å; M123-L232 HydrophobicContact CE-CD2 3.52Å
124	M	92.2	Very high	89.4	Confident	36 Å²	36	45.1 Å²	45.1	18%	0.177	24%	0.238	C	C	.	.	H	α-helix	trans	-67.1	-46.5	178.5	-66.5	-56.9	-68.9	0	0	112	H120 N121 C127 S128 K234 Q235 L238	H120-M124 WeakPolarHBondContact O-CG 3.04Å; H120-M124 PolarHBondContact O-N 3.04Å; N121-M124 PolarHBondContact O-N 3.19Å; M124-C127 PolarHBondContact O-N 3.04Å; M124-S128 WeakPolarHBondContact O-CB 3.39Å; M124-S128 PolarHBondContact O-N 3.24Å; M124-K234 HydrophobicContact CE-CB 4.14Å; M124-K234 HydrophobicContact SD-CB 4.25Å; M124-Q235 HydrophobicContact SD-CB 4Å; M124-L238 HydrophobicContact CE-CB 3.83Å; M124-L238 HydrophobicContact CE-CD2 3.74Å; M124-L238 HydrophobicContact CE-CG 4.34Å
125	T	92.6	Very high	89.9	Confident	21 Å²	21	46 Å²	46	13%	0.129	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-42.5	176.9	-58.5	0	0	0	0	111.3	E86 I87 N121 C127 S128 T129	E86-T125 HydrophobicContact CB-CG2 4.36Å; E86-T125 WeakPolarHBondContact OE2-CG2 3.22Å; I87-T125 HydrophobicContact CD1-CG2 4.08Å; I87-T125 HydrophobicContact CG1-CG2 3.85Å; N121-T125 WeakPolarHBondContact O-CB 3.37Å; N121-T125 PolarHBondContact O-N 3.34Å; N121-T125 PolarHBondContact O-OG1 2.88Å; N121-T125 VanDerWaalsContact O-OG1 3.1Å; T125-C127 VanDerWaalsContact C-N 3.32Å; T125-C127 PolarHBondContact O-N 3.37Å; T125-S128 PolarHBondContact O-N 2.96Å; T125-T129 WeakPolarHBondContact O-CB 3.36Å; T125-T129 PolarHBondContact O-N 3.25Å; T125-T129 PolarHBondContact O-OG1 3.13Å
126	T	92.3	Very high	90.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.3	-48.1	175.9	-55.8	0	0	0	0	109.9	A62 P63 V82 I87 M122 S128 T129 I130	A62-T126 HydrophobicContact CB-CG2 3.67Å; P63-T126 HydrophobicContact CB-CG2 4.26Å; P63-T126 WeakPolarHBondContact CB-OG1 3.42Å; P63-T126 WeakPolarHBondContact CG-OG1 3.5Å; V82-T126 HydrophobicContact CG1-CG2 4.41Å; I87-T126 WeakPolarHBondContact CD1-OG1 3.48Å; M122-T126 VanDerWaalsContact O-CB 3.29Å; M122-T126 WeakPolarHBondContact O-CB 3.28Å; M122-T126 PolarHBondContact O-N 3.46Å; M122-T126 PolarHBondContact O-OG1 2.73Å; T126-S128 PolarHBondContact O-N 2.92Å; T126-T129 WeakPolarHBondContact O-CB 3.3Å; T126-T129 PolarHBondContact O-N 3.26Å; T126-T129 VanDerWaalsContact O-N 3.16Å; T126-I130 HydrophobicContact CG2-CD1 3.86Å; T126-I130 HydrophobicContact CG2-CG1 4.42Å; T126-I130 WeakPolarHBondContact O-CG1 3.43Å; T126-I130 PolarHBondContact O-N 3.05Å
127	C	92.6	Very high	90.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.3	-42.5	-178.8	-170.3	0	0	0	0	112.7	M123 M124 T125 T129 I130 A131 C156 Q235 L238 L239	M123-C127 VanDerWaalsContact O-CB 3.25Å; M123-C127 WeakPolarHBondContact O-CB 3.48Å; M123-C127 PolarHBondContact O-N 2.89Å; M124-C127 PolarHBondContact O-N 3.04Å; T125-C127 VanDerWaalsContact C-N 3.32Å; T125-C127 PolarHBondContact O-N 3.37Å; C127-T129 VanDerWaalsContact C-N 3.31Å; C127-T129 PolarHBondContact O-N 3.07Å; C127-I130 PolarHBondContact O-N 3.11Å; C127-A131 WeakPolarHBondContact O-CB 3.42Å; C127-A131 PolarHBondContact O-N 2.86Å; C127-C156 WeakPolarHBondContact CA-SG 2.97Å; C127-C156 HydrophobicContact CB-CB 3.61Å; C127-C156 WeakPolarHBondContact CB-SG 3.48Å; C127-C156 WeakPolarHBondContact SG-CB 3.41Å; C127-C156 CovalentContact SG-SG 2.04Å; C127-C156 PolarHBondContact SG-SG 3.1Å; C127-Q235 HydrophobicContact CB-CG 4Å; C127-Q235 VanDerWaalsContact SG-CG 3.54Å; C127-L238 HydrophobicContact CB-CD2 4.47Å; C127-L239 VanDerWaalsContact SG-CD2 3.57Å
128	S	94	Very high	90.8	Very high	38 Å²	38	38.4 Å²	38.4	27%	0.266	22%	0.219	S	C	.	.	H	α-helix	trans	-59.6	-41.9	173.1	-173.5	0	0	0	0	111.9	M124 T125 T126 A131 N132	M124-S128 WeakPolarHBondContact O-CB 3.39Å; M124-S128 PolarHBondContact O-N 3.24Å; T125-S128 PolarHBondContact O-N 2.96Å; T126-S128 PolarHBondContact O-N 2.92Å; S128-A131 PolarHBondContact O-N 3.43Å; S128-N132 WeakPolarHBondContact O-CB 3.27Å; S128-N132 PolarHBondContact O-N 2.85Å; S128-N132 PolarHBondContact O-ND2 2.73Å; S128-N132 PolarHBondContact OG-ND2 2.9Å
129	T	93.3	Very high	91	Very high	48 Å²	48	40.2 Å²	40.2	29%	0.294	22%	0.223	S	C	.	.	H	α-helix	trans	-63.6	-49.2	179	-54.5	0	0	0	0	110.7	V82 P84 T125 T126 C127 A131 N132 D133	V82-T129 HydrophobicContact CG1-CG2 3.87Å; P84-T129 HydrophobicContact CB-CG2 4.48Å; T125-T129 WeakPolarHBondContact O-CB 3.36Å; T125-T129 PolarHBondContact O-N 3.25Å; T125-T129 PolarHBondContact O-OG1 3.13Å; T126-T129 WeakPolarHBondContact O-CB 3.3Å; T126-T129 PolarHBondContact O-N 3.26Å; T126-T129 VanDerWaalsContact O-N 3.16Å; C127-T129 VanDerWaalsContact C-N 3.31Å; C127-T129 PolarHBondContact O-N 3.07Å; T129-A131 PolarHBondContact O-N 3.39Å; T129-N132 PolarHBondContact O-N 2.8Å; T129-D133 WeakPolarHBondContact O-CB 3.46Å; T129-D133 PolarHBondContact O-N 3.03Å
130	I	92.5	Very high	91.2	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-61	-46	177.3	-64.7	170	0	0	0	110.5	Y31 L60 A62 V82 T126 C127 N132 D133 I136 R137 I140 L160	Y31-I130 HydrophobicContact CE2-CD1 3.97Å; L60-I130 HydrophobicContact CD2-CD1 4.46Å; A62-I130 HydrophobicContact CB-CD1 3.81Å; V82-I130 HydrophobicContact CG1-CG1 4.3Å; V82-I130 HydrophobicContact CG2-CG1 4.05Å; T126-I130 HydrophobicContact CG2-CD1 3.86Å; T126-I130 HydrophobicContact CG2-CG1 4.42Å; T126-I130 WeakPolarHBondContact O-CG1 3.43Å; T126-I130 PolarHBondContact O-N 3.05Å; C127-I130 PolarHBondContact O-N 3.11Å; I130-N132 VanDerWaalsContact C-N 3.27Å; I130-N132 PolarHBondContact O-N 2.84Å; I130-D133 PolarHBondContact O-N 3.48Å; I130-I136 HydrophobicContact CG2-CG2 3.84Å; I130-R137 WeakPolarHBondContact O-CG 3.42Å; I130-I140 HydrophobicContact CG2-CD1 4.01Å; I130-L160 HydrophobicContact CB-CD1 4.33Å; I130-L160 HydrophobicContact CG2-CD1 3.39Å
131	A	90.9	Very high	91	Very high	2 Å²	2	42 Å²	42	2%	0.017	23%	0.225	C	C	.	.	H	α-helix	trans	-67.2	-25.5	-177.8	0	0	0	0	0	113.2	C127 S128 T129 R137 L160 L239 L242	C127-A131 WeakPolarHBondContact O-CB 3.42Å; C127-A131 PolarHBondContact O-N 2.86Å; S128-A131 PolarHBondContact O-N 3.43Å; T129-A131 PolarHBondContact O-N 3.39Å; A131-R137 WeakPolarHBondContact O-CD 3.25Å; A131-R137 PolarHBondContact O-NE 3.49Å; A131-L160 HydrophobicContact CB-CD2 4.23Å; A131-L239 HydrophobicContact CB-CD2 3.86Å; A131-L242 HydrophobicContact CB-CB 4.35Å; A131-L242 HydrophobicContact CB-CD1 3.81Å
132	N	91.9	Very high	90.7	Very high	97 Å²	97	43.8 Å²	43.8	52%	0.519	23%	0.234	S	C	.	.	H	α-helix	trans	-90.6	-18.5	176.1	-72.8	-55.2	0	0	0	113.1	S128 T129 I130 A134	S128-N132 WeakPolarHBondContact O-CB 3.27Å; S128-N132 PolarHBondContact O-N 2.85Å; S128-N132 PolarHBondContact O-ND2 2.73Å; S128-N132 PolarHBondContact OG-ND2 2.9Å; T129-N132 PolarHBondContact O-N 2.8Å; I130-N132 VanDerWaalsContact C-N 3.27Å; I130-N132 PolarHBondContact O-N 2.84Å; N132-A134 PolarHBondContact O-N 3.03Å
133	D	92.7	Very high	90.6	Very high	59 Å²	59	45.8 Å²	45.8	32%	0.316	25%	0.245	S	C	.	.			trans	-77	108.8	177.3	-169.6	-45.9	0	0	0	110.9	T129 I130 V135 I136 R137	T129-D133 WeakPolarHBondContact O-CB 3.46Å; T129-D133 PolarHBondContact O-N 3.03Å; I130-D133 PolarHBondContact O-N 3.48Å; D133-V135 VanDerWaalsContact C-N 3.31Å; D133-V135 PolarHBondContact O-N 2.92Å; D133-V135 WeakPolarHBondContact OD1-CA 3.44Å; D133-V135 WeakPolarHBondContact OD1-CB 3.35Å; D133-V135 PolarHBondContact OD1-N 2.87Å; D133-I136 HydrophobicContact CB-CB 4.11Å; D133-I136 HydrophobicContact CB-CD1 4.1Å; D133-I136 HydrophobicContact CB-CG1 4.21Å; D133-I136 PolarHBondContact OD1-N 3.39Å; D133-R137 VanDerWaalsContact O-CB 3.32Å; D133-R137 WeakPolarHBondContact O-CB 3.45Å; D133-R137 WeakPolarHBondContact O-CG 3.48Å; D133-R137 PolarHBondContact O-N 3.4Å
134	A	91	Very high	90.6	Very high	67 Å²	67	49.9 Å²	49.9	55%	0.554	26%	0.264	S	S	*	.	H	α-helix	trans	-66	-30.7	-178.5	0	0	0	0	0	113.3	N132 G138	N132-A134 PolarHBondContact O-N 3.03Å; A134-G138 PolarHBondContact O-N 2.98Å
135	V	92.4	Very high	90.5	Very high	103 Å²	103	48.4 Å²	48.4	62%	0.624	26%	0.257	S	S	*	.	H	α-helix	trans	-72.3	-48.8	-179.7	178.5	0	0	0	0	109.5	F80 D133 G138 R139	F80-V135 HydrophobicContact CE1-CG1 4.15Å; D133-V135 VanDerWaalsContact C-N 3.31Å; D133-V135 PolarHBondContact O-N 2.92Å; D133-V135 WeakPolarHBondContact OD1-CA 3.44Å; D133-V135 WeakPolarHBondContact OD1-CB 3.35Å; D133-V135 PolarHBondContact OD1-N 2.87Å; V135-G138 PolarHBondContact O-N 3.25Å; V135-R139 PolarHBondContact O-N 3.39Å
136	I	92.2	Very high	90.4	Very high	11 Å²	11	49.8 Å²	49.8	6%	0.056	26%	0.263	C	S	.	.	H	α-helix	trans	-64.8	-44.2	178.3	-62.4	175.7	0	0	0	110.1	L60 F80 V82 I130 D133 G138 R139 I140	L60-I136 HydrophobicContact CD1-CD1 4.39Å; L60-I136 HydrophobicContact CD1-CG2 4.1Å; L60-I136 HydrophobicContact CD2-CG2 4.12Å; F80-I136 HydrophobicContact CD1-CG1 3.99Å; V82-I136 HydrophobicContact CG2-CD1 3.51Å; I130-I136 HydrophobicContact CG2-CG2 3.84Å; D133-I136 HydrophobicContact CB-CB 4.11Å; D133-I136 HydrophobicContact CB-CD1 4.1Å; D133-I136 HydrophobicContact CB-CG1 4.21Å; D133-I136 PolarHBondContact OD1-N 3.39Å; I136-G138 PolarHBondContact O-N 3.01Å; I136-R139 PolarHBondContact O-N 3.48Å; I136-I140 HydrophobicContact CG2-CD1 3.58Å; I136-I140 HydrophobicContact CG2-CG1 4.26Å; I136-I140 WeakPolarHBondContact O-CB 3.32Å; I136-I140 WeakPolarHBondContact O-CG1 3.1Å; I136-I140 PolarHBondContact O-N 3.31Å
137	R	88.8	Confident	90.4	Very high	88 Å²	88	49.8 Å²	49.8	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-59.8	-45.1	174.7	-79.6	-163.4	-66	131.3	0.6	112.8	I130 A131 D133 R139 I140 R141	I130-R137 WeakPolarHBondContact O-CG 3.42Å; A131-R137 WeakPolarHBondContact O-CD 3.25Å; A131-R137 PolarHBondContact O-NE 3.49Å; D133-R137 VanDerWaalsContact O-CB 3.32Å; D133-R137 WeakPolarHBondContact O-CB 3.45Å; D133-R137 WeakPolarHBondContact O-CG 3.48Å; D133-R137 PolarHBondContact O-N 3.4Å; R137-R139 VanDerWaalsContact C-N 3.32Å; R137-R139 PolarHBondContact O-N 2.88Å; R137-I140 PolarHBondContact O-N 2.89Å; R137-R141 VanDerWaalsContact O-CB 3.28Å; R137-R141 WeakPolarHBondContact O-CB 3.49Å; R137-R141 PolarHBondContact O-N 2.86Å
138	G	89.2	Confident	90.4	Very high	17 Å²	17	50 Å²	50	18%	0.175	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-43.8	176.2	0	0	0	0	0	111.2	A134 V135 I136 I140 R141 D142	A134-G138 PolarHBondContact O-N 2.98Å; V135-G138 PolarHBondContact O-N 3.25Å; I136-G138 PolarHBondContact O-N 3.01Å; G138-I140 VanDerWaalsContact C-N 3.33Å; G138-I140 PolarHBondContact O-N 3.33Å; G138-R141 PolarHBondContact O-N 3.06Å; G138-D142 VanDerWaalsContact CA-OD2 3.31Å; G138-D142 WeakPolarHBondContact CA-OD2 3.3Å; G138-D142 WeakPolarHBondContact O-CA 3.14Å; G138-D142 WeakPolarHBondContact O-CB 3.44Å; G138-D142 VanDerWaalsContact O-CG 3.29Å; G138-D142 PolarHBondContact O-N 3.47Å
139	R	90.3	Very high	90.4	Very high	56 Å²	56	48.2 Å²	48.2	21%	0.211	25%	0.252	C	S	.	.	H	α-helix	trans	-62.1	-40.2	176	-173.5	67.2	-176.6	-177.5	-3	112.7	T58 D78 F80 V135 I136 R137 N143 Y145	T58-R139 HydrophobicContact CG2-CG 4.15Å; T58-R139 PolarHBondContact OG1-NH2 2.71Å; D78-R139 IonicContact OD1-CZ 2.59Å; D78-R139 IonicContact OD1-NE 3.84Å; D78-R139 IonicContact OD1-NH1 3.93Å; D78-R139 PolarHBondContact OD1-NH1 3.38Å; D78-R139 IonicContact OD1-NH2 2.63Å; D78-R139 PolarHBondContact OD1-NH2 3.47Å; D78-R139 IonicContact OD2-NH2 2.82Å; D78-R139 PolarHBondContact OD2-NH2 3.48Å; F80-R139 HydrophobicContact CD2-CG 4.42Å; F80-R139 HydrophobicContact CE1-CB 4.38Å; F80-R139 HydrophobicContact CE1-CG 4.47Å; F80-R139 HydrophobicContact CE2-CB 4.33Å; F80-R139 HydrophobicContact CE2-CG 3.59Å; F80-R139 HydrophobicContact CZ-CB 3.95Å; F80-R139 HydrophobicContact CZ-CG 3.61Å; V135-R139 PolarHBondContact O-N 3.39Å; I136-R139 PolarHBondContact O-N 3.48Å; R137-R139 VanDerWaalsContact C-N 3.32Å; R137-R139 PolarHBondContact O-N 2.88Å; R139-N143 WeakPolarHBondContact O-CB 3.38Å; R139-N143 PolarHBondContact O-ND2 3.48Å; R139-Y145 PolarHBondContact O-OH 2.81Å
140	I	88.8	Confident	90.4	Very high	4 Å²	4	46 Å²	46	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-71.2	-43.1	-179.5	-70.1	169.4	0	0	0	111.5	L60 I130 I136 R137 G138 L157 L160 I161	L60-I140 HydrophobicContact CD2-CD1 3.96Å; I130-I140 HydrophobicContact CG2-CD1 4.01Å; I136-I140 HydrophobicContact CG2-CD1 3.58Å; I136-I140 HydrophobicContact CG2-CG1 4.26Å; I136-I140 WeakPolarHBondContact O-CB 3.32Å; I136-I140 WeakPolarHBondContact O-CG1 3.1Å; I136-I140 PolarHBondContact O-N 3.31Å; R137-I140 PolarHBondContact O-N 2.89Å; G138-I140 VanDerWaalsContact C-N 3.33Å; G138-I140 PolarHBondContact O-N 3.33Å; I140-L157 HydrophobicContact CD1-CD1 3.67Å; I140-L157 HydrophobicContact CG1-CD1 4.03Å; I140-L157 HydrophobicContact CG2-CD1 3.9Å; I140-L160 HydrophobicContact CD1-CD1 4.44Å; I140-L160 HydrophobicContact CG2-CB 4.12Å; I140-I161 HydrophobicContact CG2-CB 4.28Å; I140-I161 HydrophobicContact CG2-CD1 4.33Å; I140-I161 HydrophobicContact CG2-CG1 3.29Å
141	R	84.4	Confident	90.2	Very high	136 Å²	136	46.6 Å²	46.6	51%	0.513	24%	0.241	S	C	.	.	H	α-helix	trans	-91.4	-38.2	-171.2	-171.9	-167.5	66	-179.4	-1.9	113.4	R137 G138 N143	R137-R141 VanDerWaalsContact O-CB 3.28Å; R137-R141 WeakPolarHBondContact O-CB 3.49Å; R137-R141 PolarHBondContact O-N 2.86Å; G138-R141 PolarHBondContact O-N 3.06Å; R141-N143 VanDerWaalsContact C-N 3.3Å; R141-N143 PolarHBondContact O-N 3.36Å
142	D	84.4	Confident	90	Very high	101 Å²	101	46.6 Å²	46.6	54%	0.54	24%	0.241	S	C	.	.	S	Bend	trans	-89.4	1.1	-169.6	-49.8	-27	0	0	0	112.1	G138	G138-D142 VanDerWaalsContact CA-OD2 3.31Å; G138-D142 WeakPolarHBondContact CA-OD2 3.3Å; G138-D142 WeakPolarHBondContact O-CA 3.14Å; G138-D142 WeakPolarHBondContact O-CB 3.44Å; G138-D142 VanDerWaalsContact O-CG 3.29Å; G138-D142 PolarHBondContact O-N 3.47Å
143	N	87.3	Confident	89.7	Confident	56 Å²	56	44.6 Å²	44.6	30%	0.299	23%	0.229	S	C	.	.	S	Bend	trans	-117.2	144.9	178.3	-65.2	-95.2	0	0	0	110.9	R139 R141 Y145	R139-N143 WeakPolarHBondContact O-CB 3.38Å; R139-N143 PolarHBondContact O-ND2 3.48Å; R141-N143 VanDerWaalsContact C-N 3.3Å; R141-N143 PolarHBondContact O-N 3.36Å; N143-Y145 HydrophobicContact CB-CE2 4.02Å
144	H	88.6	Confident	89.2	Confident	106 Å²	106	41.8 Å²	41.8	49%	0.491	21%	0.214	S	C	.	.			trans	-79.6	139.3	173.4	173.3	73.1	0	0	0	110.4	D146	H144-D146 IonicContact CD2-OD1 3.28Å; H144-D146 IonicContact CE1-OD1 3.14Å; H144-D146 IonicContact NE2-OD1 3.41Å; H144-D146 PolarHBondContact NE2-OD1 2.77Å
145	Y	90.9	Very high	88.8	Confident	5 Å²	5	38.6 Å²	38.6	2%	0.02	19%	0.188	C	C	.	.			trans	-131.8	132.4	172.7	-61.2	-75	0	0	0	109.5	L29 R139 N143 A167	L29-Y145 HydrophobicContact CB-CD1 3.6Å; L29-Y145 HydrophobicContact CB-CD2 4.26Å; L29-Y145 HydrophobicContact CB-CE1 3.77Å; L29-Y145 HydrophobicContact CB-CE2 4.43Å; L29-Y145 HydrophobicContact CB-CG 3.85Å; L29-Y145 HydrophobicContact CD1-CE1 4.21Å; L29-Y145 HydrophobicContact CD2-CD2 4.07Å; L29-Y145 HydrophobicContact CD2-CE2 3.89Å; L29-Y145 HydrophobicContact CD2-CG 4.48Å; L29-Y145 HydrophobicContact CG-CE1 4.39Å; R139-Y145 PolarHBondContact O-OH 2.81Å; N143-Y145 HydrophobicContact CB-CE2 4.02Å; Y145-A167 VanDerWaalsContact O-CB 3.29Å; Y145-A167 WeakPolarHBondContact O-CB 3.41Å
146	D	90.8	Very high	88.6	Confident	49 Å²	49	33.7 Å²	33.7	26%	0.262	16%	0.158	S	C	.	.	S	Bend	trans	-77.7	-31.5	173.2	-60	-51.8	0	0	0	111	L26 E27 H144 S168 V476	L26-D146 WeakPolarHBondContact CA-OD2 3.36Å; L26-D146 HydrophobicContact CB-CB 4.35Å; L26-D146 HydrophobicContact CD2-CB 3.91Å; E27-D146 PolarHBondContact N-OD2 2.95Å; E27-D146 PolarHBondContact O-N 3.23Å; H144-D146 IonicContact CD2-OD1 3.28Å; H144-D146 IonicContact CE1-OD1 3.14Å; H144-D146 IonicContact NE2-OD1 3.41Å; H144-D146 PolarHBondContact NE2-OD1 2.77Å; D146-S168 PolarHBondContact O-N 3.4Å; D146-V476 HydrophobicContact CB-CG1 4.35Å
147	V	91.6	Very high	88.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	138.5	-176.8	62.2	0	0	0	0	112.8	L26 E27 V28 L29 M149 S168 I170 L472 V476	L26-V147 HydrophobicContact CD1-CG1 4.38Å; E27-V147 PolarHBondContact O-N 2.61Å; V28-V147 HydrophobicContact CB-CG1 4.15Å; V28-V147 HydrophobicContact CG1-CG1 4.05Å; V28-V147 HydrophobicContact CG2-CG1 3.7Å; L29-V147 PolarHBondContact N-O 2.74Å; V147-M149 HydrophobicContact CG2-CG 4.04Å; V147-S168 CarbonylContact C-O 3.36Å; V147-S168 WeakPolarHBondContact CA-O 3.31Å; V147-S168 WeakPolarHBondContact CG2-O 3.5Å; V147-I170 HydrophobicContact CG2-CB 4.28Å; V147-I170 HydrophobicContact CG2-CG1 3.6Å; V147-L472 HydrophobicContact CG2-CD1 4.33Å; V147-V476 HydrophobicContact CB-CG1 4.49Å; V147-V476 HydrophobicContact CB-CG2 3.66Å; V147-V476 HydrophobicContact CG1-CG2 4.19Å; V147-V476 HydrophobicContact CG2-CG2 3.69Å
148	I	92.2	Very high	88.1	Confident	6 Å²	6	29.7 Å²	29.7	3%	0.031	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117.9	172.5	-56.3	151.6	0	0	0	107.7	L29 T150 L157 F158 I161 A167 S168 I169 I170	L29-I148 HydrophobicContact CB-CG1 4.49Å; L29-I148 WeakPolarHBondContact O-CA 3.47Å; I148-T150 HydrophobicContact CG2-CG2 4.45Å; I148-L157 HydrophobicContact CG2-CD2 3.6Å; I148-L157 HydrophobicContact CG2-CG 4.46Å; I148-F158 HydrophobicContact CG2-CD1 4.5Å; I148-F158 HydrophobicContact CG2-CE1 3.99Å; I148-I161 HydrophobicContact CD1-CD1 3.32Å; I148-I161 HydrophobicContact CD1-CG2 4.18Å; I148-I161 HydrophobicContact CG1-CD1 3.67Å; I148-I161 HydrophobicContact CG2-CD1 4.22Å; I148-A167 HydrophobicContact CD1-CB 3.71Å; I148-A167 HydrophobicContact CG1-CB 4.03Å; I148-S168 PolarHBondContact N-O 2.88Å; I148-I169 HydrophobicContact CD1-CG1 4.49Å; I148-I170 PolarHBondContact O-N 2.71Å
149	M	93.6	Very high	87.8	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122	178.3	-61.5	-176.3	66.9	0	0	109.6	V28 L29 L30 Y31 F46 L50 V147 I170 L172 I260 L472	V28-M149 HydrophobicContact CG1-CG 4.09Å; V28-M149 HydrophobicContact CG1-SD 3.8Å; L29-M149 PolarHBondContact O-N 2.79Å; L30-M149 HydrophobicContact CD1-CB 3.75Å; Y31-M149 PolarHBondContact N-O 3.3Å; F46-M149 HydrophobicContact CD1-CE 3.9Å; F46-M149 HydrophobicContact CE1-CE 4.03Å; L50-M149 HydrophobicContact CD1-SD 3.87Å; L50-M149 HydrophobicContact CD2-SD 4.29Å; V147-M149 HydrophobicContact CG2-CG 4.04Å; M149-I170 WeakPolarHBondContact CA-O 3.03Å; M149-I170 HydrophobicContact CG-CB 4.26Å; M149-L172 HydrophobicContact CB-CD1 4.33Å; M149-L172 HydrophobicContact CE-CD2 3.77Å; M149-I260 HydrophobicContact CE-CD1 3.92Å; M149-L472 HydrophobicContact CE-CD1 4.38Å; M149-L472 HydrophobicContact CE-CD2 4.37Å; M149-L472 HydrophobicContact SD-CD1 4.21Å; M149-L472 HydrophobicContact SD-CD2 3.98Å
150	T	92.9	Very high	87.5	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	160.8	-176.1	168.5	0	0	0	0	112.1	Y31 I148 C152 F158 I170 C171 L172	Y31-T150 WeakPolarHBondContact CD1-OG1 3.43Å; Y31-T150 WeakPolarHBondContact O-CA 3.33Å; I148-T150 HydrophobicContact CG2-CG2 4.45Å; T150-C152 PolarHBondContact O-N 3.49Å; T150-C152 VanDerWaalsContact O-N 3.13Å; T150-C152 PolarHBondContact OG1-N 2.83Å; T150-F158 HydrophobicContact CG2-CE1 3.64Å; T150-F158 HydrophobicContact CG2-CE2 4.27Å; T150-F158 HydrophobicContact CG2-CZ 3.27Å; T150-I170 PolarHBondContact N-O 3.45Å; T150-I170 VanDerWaalsContact N-O 3.08Å; T150-C171 CarbonylContact O-C 3.57Å; T150-C171 WeakPolarHBondContact O-CA 3.39Å; T150-L172 PolarHBondContact O-N 3.5Å
151	H	89.5	Confident	86.9	Confident	15 Å²	15	27.8 Å²	27.8	7%	0.069	14%	0.135	C	C	.	.			trans	-65.5	-9.7	172.5	-68.1	-80.4	0	0	0	114.3	S32 F33 F42 I153 L172	S32-H151 PolarHBondContact OG-CD2 3.42Å; S32-H151 PolarHBondContact OG-NE2 3.01Å; F33-H151 AromaticContact CD2-CD2 3.65Å; F33-H151 HydrophobicContact CE2-CB 3.95Å; F33-H151 AromaticContact CE2-CD2 3.83Å; F42-H151 AromaticContact CE1-CE1 3.57Å; H151-I153 HydrophobicContact CB-CG1 4.03Å; H151-I153 PolarHBondContact O-N 3.23Å; H151-L172 VanDerWaalsContact CA-O 3.26Å; H151-L172 WeakPolarHBondContact CA-O 3.44Å; H151-L172 PolarHBondContact ND1-O 2.77Å
152	C	87	Confident	86	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.014	13%	0.131	C	C	.	.	S	Bend	trans	56.2	7.5	-177.6	-65.2	0	0	0	0	115.4	T150 D154 C171 F181	T150-C152 PolarHBondContact O-N 3.49Å; T150-C152 VanDerWaalsContact O-N 3.13Å; T150-C152 PolarHBondContact OG1-N 2.83Å; C152-D154 VanDerWaalsContact C-N 3.34Å; C152-C171 HydrophobicContact CB-CB 3.78Å; C152-C171 WeakPolarHBondContact CB-SG 3.14Å; C152-C171 WeakPolarHBondContact SG-CA 3.45Å; C152-C171 WeakPolarHBondContact SG-CB 3.32Å; C152-C171 CovalentContact SG-SG 2.01Å; C152-C171 PolarHBondContact SG-SG 3.1Å; C152-F181 VanDerWaalsContact O-CE1 3.29Å; C152-F181 WeakPolarHBondContact O-CE1 3.49Å
153	I	84	Confident	84.5	Confident	54 Å²	54	25 Å²	25	28%	0.277	13%	0.127	S	C	.	.	S	Bend	trans	-90.5	-5.4	169.6	68.8	175.3	0	0	0	112	F33 M123 H151 L232	F33-I153 HydrophobicContact CE2-CD1 3.49Å; F33-I153 VanDerWaalsContact CE2-CD1 3.49Å; F33-I153 HydrophobicContact CE2-CG1 3.56Å; F33-I153 HydrophobicContact CZ-CD1 3.91Å; F33-I153 HydrophobicContact CZ-CG1 3.66Å; M123-I153 WeakPolarHBondContact CE-O 3.47Å; H151-I153 HydrophobicContact CB-CG1 4.03Å; H151-I153 PolarHBondContact O-N 3.23Å; I153-L232 WeakPolarHBondContact O-CD2 3.42Å
154	D	83.9	Confident	82.7	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.			trans	-131.6	120.6	173.2	179.6	-1.8	0	0	0	108	Y31 F33 M123 C152 C156 Q235	Y31-D154 HydrophobicContact CE1-CB 4.07Å; Y31-D154 PolarHBondContact OH-OD2 2.84Å; F33-D154 HydrophobicContact CE1-CB 4.21Å; F33-D154 HydrophobicContact CZ-CB 3.91Å; M123-D154 HydrophobicContact CE-CB 4.15Å; C152-D154 VanDerWaalsContact C-N 3.34Å; D154-C156 WeakPolarHBondContact OD1-CB 3.33Å; D154-C156 PolarHBondContact OD1-N 3.3Å; D154-Q235 PolarHBondContact OD1-NE2 3.47Å; D154-Q235 PolarHBondContact OD1-OE1 2.98Å
155	T	82.3	Confident	81.4	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.134	C	C	.	.			trans	-102.3	3.2	-174.1	50.1	0	0	0	0	113.1	L157 F158 G159 L232 Q235 M236 I250 A254	T155-L157 PolarHBondContact O-N 3.36Å; T155-F158 HydrophobicContact CG2-CD2 3.82Å; T155-F158 HydrophobicContact CG2-CE2 4.1Å; T155-F158 PolarHBondContact O-N 3.16Å; T155-G159 PolarHBondContact O-N 3.35Å; T155-L232 HydrophobicContact CG2-CD1 4.27Å; T155-L232 HydrophobicContact CG2-CD2 4.21Å; T155-Q235 PolarHBondContact OG1-OE1 2.91Å; T155-M236 WeakPolarHBondContact O-CE 3.18Å; T155-M236 WeakPolarHBondContact OG1-CE 3.31Å; T155-I250 HydrophobicContact CG2-CD1 3.51Å; T155-I250 HydrophobicContact CG2-CG1 4.13Å; T155-A254 HydrophobicContact CG2-CB 4Å
156	C	87.4	Confident	80.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-54.4	-44.5	-175.4	-171.5	0	0	0	0	111.4	C127 D154 F158 G159 L160 Q235 L239	C127-C156 WeakPolarHBondContact CA-SG 2.97Å; C127-C156 HydrophobicContact CB-CB 3.61Å; C127-C156 WeakPolarHBondContact CB-SG 3.48Å; C127-C156 WeakPolarHBondContact SG-CB 3.41Å; C127-C156 CovalentContact SG-SG 2.04Å; C127-C156 PolarHBondContact SG-SG 3.1Å; D154-C156 WeakPolarHBondContact OD1-CB 3.33Å; D154-C156 PolarHBondContact OD1-N 3.3Å; C156-F158 VanDerWaalsContact C-N 3.32Å; C156-F158 PolarHBondContact O-N 2.99Å; C156-G159 PolarHBondContact O-N 3.42Å; C156-L160 PolarHBondContact O-N 3.46Å; C156-Q235 HydrophobicContact CB-CG 4.25Å; C156-L239 VanDerWaalsContact O-CD1 3.26Å; C156-L239 WeakPolarHBondContact O-CD1 3.13Å
157	L	86.5	Confident	80.4	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-59.3	-42.2	-179.1	-176.9	62.6	0	0	0	112.7	L29 Y31 I140 I148 T155 G159 L160 I161	L29-L157 HydrophobicContact CD2-CD1 3.98Å; L29-L157 HydrophobicContact CD2-CD2 4.05Å; L29-L157 HydrophobicContact CD2-CG 4.42Å; L29-L157 HydrophobicContact CG-CD2 4.32Å; Y31-L157 VanDerWaalsContact CB-CD2 3.45Å; Y31-L157 HydrophobicContact CD1-CD2 4.38Å; Y31-L157 HydrophobicContact CD2-CD2 4.27Å; Y31-L157 HydrophobicContact CG-CD2 3.8Å; I140-L157 HydrophobicContact CD1-CD1 3.67Å; I140-L157 HydrophobicContact CG1-CD1 4.03Å; I140-L157 HydrophobicContact CG2-CD1 3.9Å; I148-L157 HydrophobicContact CG2-CD2 3.6Å; I148-L157 HydrophobicContact CG2-CG 4.46Å; T155-L157 PolarHBondContact O-N 3.36Å; L157-G159 PolarHBondContact O-N 3.47Å; L157-L160 PolarHBondContact O-N 2.9Å; L157-I161 HydrophobicContact CD1-CD1 3.8Å; L157-I161 HydrophobicContact CD1-CG1 4.04Å; L157-I161 HydrophobicContact CD2-CD1 4.11Å; L157-I161 HydrophobicContact CG-CD1 3.56Å; L157-I161 HydrophobicContact CG-CG1 4.23Å; L157-I161 WeakPolarHBondContact O-CG1 3.42Å; L157-I161 PolarHBondContact O-N 3Å; L157-I161 VanDerWaalsContact O-N 3.14Å
158	F	84.1	Confident	80.3	Confident	13 Å²	13	31 Å²	31	6%	0.057	17%	0.166	C	C	.	.	H	α-helix	trans	-65.7	-28.7	-178.9	-55.8	-40.4	0	0	0	112.8	I148 T150 T155 C156 L160 I169 I253 A254	I148-F158 HydrophobicContact CG2-CD1 4.5Å; I148-F158 HydrophobicContact CG2-CE1 3.99Å; T150-F158 HydrophobicContact CG2-CE1 3.64Å; T150-F158 HydrophobicContact CG2-CE2 4.27Å; T150-F158 HydrophobicContact CG2-CZ 3.27Å; T155-F158 HydrophobicContact CG2-CD2 3.82Å; T155-F158 HydrophobicContact CG2-CE2 4.1Å; T155-F158 PolarHBondContact O-N 3.16Å; C156-F158 VanDerWaalsContact C-N 3.32Å; C156-F158 PolarHBondContact O-N 2.99Å; F158-L160 VanDerWaalsContact C-N 3.32Å; F158-I169 HydrophobicContact CD1-CD1 4.03Å; F158-I169 HydrophobicContact CD1-CG1 4.46Å; F158-I169 HydrophobicContact CE1-CB 4.47Å; F158-I169 HydrophobicContact CE1-CD1 3.91Å; F158-I169 HydrophobicContact CE1-CG1 4.02Å; F158-I169 HydrophobicContact CE1-CG2 3.64Å; F158-I169 HydrophobicContact CE2-CG2 4.46Å; F158-I169 HydrophobicContact CZ-CD1 4.33Å; F158-I169 HydrophobicContact CZ-CG2 3.46Å; F158-I169 VanDerWaalsContact CZ-CG2 3.46Å; F158-I253 HydrophobicContact CB-CB 4.35Å; F158-I253 HydrophobicContact CB-CD1 3.63Å; F158-I253 HydrophobicContact CB-CG1 3.82Å; F158-I253 HydrophobicContact CD2-CG1 4.41Å; F158-A254 HydrophobicContact CD2-CB 4.01Å; F158-A254 HydrophobicContact CE2-CB 4.02Å
159	G	82.7	Confident	80.2	Confident	10 Å²	10	31.2 Å²	31.2	10%	0.103	17%	0.167	C	C	.	.	H	α-helix	trans	-80	-12.1	173.9	0	0	0	0	0	114.1	T155 C156 L157	T155-G159 PolarHBondContact O-N 3.35Å; C156-G159 PolarHBondContact O-N 3.42Å; L157-G159 PolarHBondContact O-N 3.47Å
160	L	83.4	Confident	80	Confident	18 Å²	18	31.2 Å²	31.2	9%	0.094	17%	0.167	C	C	.	.	H	α-helix	trans	-100.6	-25.5	-178.7	-71.1	174.9	0	0	0	114.3	I130 A131 I140 C156 L157 F158 D162 L239 T243	I130-L160 HydrophobicContact CB-CD1 4.33Å; I130-L160 HydrophobicContact CG2-CD1 3.39Å; A131-L160 HydrophobicContact CB-CD2 4.23Å; I140-L160 HydrophobicContact CD1-CD1 4.44Å; I140-L160 HydrophobicContact CG2-CB 4.12Å; C156-L160 PolarHBondContact O-N 3.46Å; L157-L160 PolarHBondContact O-N 2.9Å; F158-L160 VanDerWaalsContact C-N 3.32Å; L160-D162 PolarHBondContact O-N 3.2Å; L160-L239 HydrophobicContact CD1-CD2 4.45Å; L160-L239 HydrophobicContact CD2-CD2 3.71Å; L160-L239 HydrophobicContact CG-CD1 4.49Å; L160-L239 HydrophobicContact CG-CD2 3.93Å; L160-T243 HydrophobicContact CD2-CG2 3.82Å
161	I	76.8	Confident	80	Confident	9 Å²	9	31.2 Å²	31.2	5%	0.046	17%	0.167	C	C	.	.	S	Bend	trans	-69.9	-10.2	-174.9	-75.1	171.4	0	0	0	113.8	L29 I140 I148 L157 H165	L29-I161 HydrophobicContact CD2-CD1 3.72Å; L29-I161 HydrophobicContact CD2-CG1 4.38Å; I140-I161 HydrophobicContact CG2-CB 4.28Å; I140-I161 HydrophobicContact CG2-CD1 4.33Å; I140-I161 HydrophobicContact CG2-CG1 3.29Å; I148-I161 HydrophobicContact CD1-CD1 3.32Å; I148-I161 HydrophobicContact CD1-CG2 4.18Å; I148-I161 HydrophobicContact CG1-CD1 3.67Å; I148-I161 HydrophobicContact CG2-CD1 4.22Å; L157-I161 HydrophobicContact CD1-CD1 3.8Å; L157-I161 HydrophobicContact CD1-CG1 4.04Å; L157-I161 HydrophobicContact CD2-CD1 4.11Å; L157-I161 HydrophobicContact CG-CD1 3.56Å; L157-I161 HydrophobicContact CG-CG1 4.23Å; L157-I161 WeakPolarHBondContact O-CG1 3.42Å; L157-I161 PolarHBondContact O-N 3Å; L157-I161 VanDerWaalsContact O-N 3.14Å; I161-H165 HydrophobicContact CG2-CB 4.44Å
162	D	65.1	Low	80.2	Confident	81 Å²	81	30.6 Å²	30.6	43%	0.433	17%	0.165	S	C	.	.			trans	62.3	134.7	-162.3	-170.9	18.3	0	0	0	111.6	L160 T164	L160-D162 PolarHBondContact O-N 3.2Å; D162-T164 VanDerWaalsContact CG-OG1 3.31Å; D162-T164 PolarHBondContact O-N 3.13Å; D162-T164 WeakPolarHBondContact OD2-CG2 3.42Å; D162-T164 PolarHBondContact OD2-OG1 3.22Å
163	Q	53.1	Low	80.5	Confident	98 Å²	98	31 Å²	31	46%	0.458	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-8	-178.2	-71.7	-151.3	-21.2	0	0	113.6	H165 P248	Q163-H165 PolarHBondContact O-N 2.77Å; Q163-P248 HydrophobicContact CG-CG 4.17Å; Q163-P248 VanDerWaalsContact NE2-CG 3.34Å
164	T	50.7	Low	80.8	Confident	99 Å²	99	29.3 Å²	29.3	61%	0.607	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-8.2	-179.5	64.9	0	0	0	0	113.2	D162	D162-T164 VanDerWaalsContact CG-OG1 3.31Å; D162-T164 PolarHBondContact O-N 3.13Å; D162-T164 WeakPolarHBondContact OD2-CG2 3.42Å; D162-T164 PolarHBondContact OD2-OG1 3.22Å
165	H	60.8	Low	81.1	Confident	69 Å²	69	29.3 Å²	29.3	32%	0.319	16%	0.161	S	C	.	.	S	Bend	trans	-92.2	118.9	173	-68.3	-78.7	0	0	0	111.4	I161 Q163 A167	I161-H165 HydrophobicContact CG2-CB 4.44Å; Q163-H165 PolarHBondContact O-N 2.77Å; H165-A167 PolarHBondContact O-N 3.43Å
166	N	74.5	Confident	81.4	Confident	158 Å²	158	29.3 Å²	29.3	85%	0.845	16%	0.161	S	C	*	.			trans	-69.1	25	-179.7	-82.6	-28.2	0	0	0	114.4	S168	N166-S168 PolarHBondContact O-N 3.33Å
167	A	87	Confident	81.4	Confident	5 Å²	5	31.5 Å²	31.5	4%	0.041	17%	0.17	C	C	.	.			trans	-61.5	138.2	-177.4	0	0	0	0	0	111.2	Y145 I148 H165 R480	Y145-A167 VanDerWaalsContact O-CB 3.29Å; Y145-A167 WeakPolarHBondContact O-CB 3.41Å; I148-A167 HydrophobicContact CD1-CB 3.71Å; I148-A167 HydrophobicContact CG1-CB 4.03Å; H165-A167 PolarHBondContact O-N 3.43Å; A167-R480 PolarHBondContact O-NH2 3.22Å
168	S	88.5	Confident	81.6	Confident	11 Å²	11	32.5 Å²	32.5	8%	0.077	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	141.2	170.8	-69.5	0	0	0	0	110.2	D146 V147 I148 N166 D257 V476	D146-S168 PolarHBondContact O-N 3.4Å; V147-S168 CarbonylContact C-O 3.36Å; V147-S168 WeakPolarHBondContact CA-O 3.31Å; V147-S168 WeakPolarHBondContact CG2-O 3.5Å; I148-S168 PolarHBondContact N-O 2.88Å; N166-S168 PolarHBondContact O-N 3.33Å; S168-D257 WeakPolarHBondContact CA-OD2 3.24Å; S168-V476 PolarHBondContact OG-O 2.93Å
169	I	89.5	Confident	81.8	Confident	11 Å²	11	33.4 Å²	33.4	6%	0.056	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	114.3	177.6	-63.4	173.2	0	0	0	108.8	I148 F158 I253 P256 D257	I148-I169 HydrophobicContact CD1-CG1 4.49Å; F158-I169 HydrophobicContact CD1-CD1 4.03Å; F158-I169 HydrophobicContact CD1-CG1 4.46Å; F158-I169 HydrophobicContact CE1-CB 4.47Å; F158-I169 HydrophobicContact CE1-CD1 3.91Å; F158-I169 HydrophobicContact CE1-CG1 4.02Å; F158-I169 HydrophobicContact CE1-CG2 3.64Å; F158-I169 HydrophobicContact CE2-CG2 4.46Å; F158-I169 HydrophobicContact CZ-CD1 4.33Å; F158-I169 HydrophobicContact CZ-CG2 3.46Å; F158-I169 VanDerWaalsContact CZ-CG2 3.46Å; I169-I253 WeakPolarHBondContact CD1-O 3.44Å; I169-P256 CarbonylContact O-C 3.46Å; I169-P256 WeakPolarHBondContact O-CA 3.47Å; I169-D257 PolarHBondContact N-OD2 3.16Å; I169-D257 WeakPolarHBondContact O-CB 3.28Å; I169-D257 PolarHBondContact O-N 3.11Å
170	I	91.4	Very high	81.9	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117	177.3	-57.3	-62.5	0	0	0	109.3	V147 I148 M149 T150 D257 I260 L472 M475	V147-I170 HydrophobicContact CG2-CB 4.28Å; V147-I170 HydrophobicContact CG2-CG1 3.6Å; I148-I170 PolarHBondContact O-N 2.71Å; M149-I170 WeakPolarHBondContact CA-O 3.03Å; M149-I170 HydrophobicContact CG-CB 4.26Å; T150-I170 PolarHBondContact N-O 3.45Å; T150-I170 VanDerWaalsContact N-O 3.08Å; I170-D257 HydrophobicContact CD1-CB 4.02Å; I170-I260 HydrophobicContact CG2-CD1 3.78Å; I170-I260 HydrophobicContact CG2-CG1 3.76Å; I170-L472 HydrophobicContact CB-CD1 4.39Å; I170-L472 HydrophobicContact CG1-CD1 3.82Å; I170-L472 HydrophobicContact CG2-CD1 4.29Å; I170-M475 HydrophobicContact CD1-CB 3.68Å; I170-M475 HydrophobicContact CD1-CE 4.41Å; I170-M475 HydrophobicContact CD1-CG 4.45Å; I170-M475 HydrophobicContact CD1-SD 4.13Å
171	C	92.8	Very high	82.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	144.8	176.2	-62.1	0	0	0	0	111.1	T150 C152 M182 P256 G258 L259 I260	T150-C171 CarbonylContact O-C 3.57Å; T150-C171 WeakPolarHBondContact O-CA 3.39Å; C152-C171 HydrophobicContact CB-CB 3.78Å; C152-C171 WeakPolarHBondContact CB-SG 3.14Å; C152-C171 WeakPolarHBondContact SG-CA 3.45Å; C152-C171 WeakPolarHBondContact SG-CB 3.32Å; C152-C171 CovalentContact SG-SG 2.01Å; C152-C171 PolarHBondContact SG-SG 3.1Å; C171-M182 HydrophobicContact CB-CE 4.45Å; C171-M182 HydrophobicContact CB-SD 3.66Å; C171-P256 WeakPolarHBondContact SG-CB 3.43Å; C171-P256 WeakPolarHBondContact SG-CG 3.43Å; C171-G258 PolarHBondContact N-O 3.38Å; C171-L259 HydrophobicContact CB-CD1 3.78Å; C171-L259 CarbonylContact O-C 3.55Å; C171-L259 WeakPolarHBondContact O-CA 3.35Å; C171-I260 PolarHBondContact O-N 3.01Å
172	L	93.6	Very high	82.6	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.7	174.8	-58.2	-177.5	0	0	0	108.7	L30 F42 F46 M149 T150 H151 I260	L30-L172 HydrophobicContact CD1-CD1 3.81Å; F42-L172 HydrophobicContact CE1-CD1 4.35Å; F42-L172 HydrophobicContact CZ-CB 4.44Å; F46-L172 HydrophobicContact CE1-CD2 4.27Å; F46-L172 HydrophobicContact CE2-CD2 4.38Å; F46-L172 HydrophobicContact CZ-CD2 4.01Å; M149-L172 HydrophobicContact CB-CD1 4.33Å; M149-L172 HydrophobicContact CE-CD2 3.77Å; T150-L172 PolarHBondContact O-N 3.5Å; H151-L172 VanDerWaalsContact CA-O 3.26Å; H151-L172 WeakPolarHBondContact CA-O 3.44Å; H151-L172 PolarHBondContact ND1-O 2.77Å; L172-I260 CarbonylContact C-O 3.56Å; L172-I260 WeakPolarHBondContact CA-O 3.33Å; L172-I260 HydrophobicContact CD2-CB 3.82Å; L172-I260 HydrophobicContact CD2-CD1 4.28Å; L172-I260 HydrophobicContact CD2-CG1 4.39Å
173	S	93.2	Very high	83.7	Confident	11 Å²	11	29.7 Å²	29.7	8%	0.077	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.1	165.2	-170.3	0	0	0	0	109.3	G175 Y177 I260 N262	S173-G175 PolarHBondContact O-N 2.96Å; S173-G175 PolarHBondContact OG-O 3.43Å; S173-G175 VanDerWaalsContact OG-O 3.06Å; S173-Y177 PolarHBondContact OG-O 2.92Å; S173-I260 PolarHBondContact N-O 3.4Å; S173-N262 WeakPolarHBondContact O-CB 3.29Å; S173-N262 PolarHBondContact O-N 3.48Å
174	A	89.7	Confident	85.2	Confident	18 Å²	18	27.5 Å²	27.5	15%	0.149	15%	0.151	C	C	.	.	S	Bend	trans	-69.9	-7.3	178.9	0	0	0	0	0	113.8	N262	A174-N262 PolarHBondContact O-ND2 3.4Å
175	G	90.2	Very high	86.7	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-156.7	-168.4	173.5	0	0	0	0	0	113.3	S173 Y177 N262	S173-G175 PolarHBondContact O-N 2.96Å; S173-G175 PolarHBondContact OG-O 3.43Å; S173-G175 VanDerWaalsContact OG-O 3.06Å; G175-Y177 PolarHBondContact O-N 3.49Å; G175-N262 CarbonylContact C-O 3.56Å; G175-N262 WeakPolarHBondContact CA-O 3.31Å
176	N	88.2	Confident	87.9	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-78	68	170.5	-100.2	2.7	0	0	0	111.2	N262 E264 D268 Y279 Y385 R413	N176-N262 PolarHBondContact N-O 2.92Å; N176-E264 PolarHBondContact ND2-O 3.48Å; N176-D268 HydrophobicContact CB-CB 4.4Å; N176-D268 PolarHBondContact ND2-N 2.72Å; N176-Y279 VanDerWaalsContact OD1-CD1 3.24Å; N176-Y279 WeakPolarHBondContact OD1-CD1 3.43Å; N176-Y279 WeakPolarHBondContact OD1-CE1 3.15Å; N176-Y385 HydrophobicContact CB-CD2 4.31Å; N176-Y385 HydrophobicContact CB-CE2 3.44Å; N176-Y385 VanDerWaalsContact CB-CE2 3.44Å; N176-Y385 PolarHBondContact ND2-OH 2.66Å; N176-Y385 PolarHBondContact OD1-OH 2.75Å; N176-R413 PolarHBondContact O-NE 3.29Å; N176-R413 PolarHBondContact O-NH2 3.16Å
177	Y	88.6	Confident	88.3	Confident	46 Å²	46	14.2 Å²	14.2	18%	0.18	8%	0.082	C	C	.	.			trans	-150.9	156.6	168.5	57.3	-94	0	0	0	110.1	S173 G175 T179 F198 D406	S173-Y177 PolarHBondContact OG-O 2.92Å; G175-Y177 PolarHBondContact O-N 3.49Å; Y177-T179 HydrophobicContact CD2-CG2 4.03Å; Y177-T179 HydrophobicContact CE2-CG2 3.97Å; Y177-F198 HydrophobicContact CD1-CE2 4.27Å; Y177-F198 AromaticContact CD2-CD2 3.84Å; Y177-F198 HydrophobicContact CD2-CD2 3.84Å; Y177-F198 AromaticContact CD2-CE2 3.88Å; Y177-F198 HydrophobicContact CD2-CE2 3.88Å; Y177-F198 HydrophobicContact CE1-CE2 4.15Å; Y177-F198 HydrophobicContact CE2-CD2 4.15Å; Y177-F198 AromaticContact CE2-CE2 3.75Å; Y177-F198 HydrophobicContact CE2-CE2 3.75Å; Y177-F198 HydrophobicContact CG-CD2 4.09Å; Y177-F198 HydrophobicContact CG-CE2 4.14Å; Y177-F198 AromaticContact CZ-CE2 3.89Å; Y177-D406 HydrophobicContact CD1-CB 4Å; Y177-D406 HydrophobicContact CE1-CB 3.69Å
178	V	90.6	Very high	88.4	Confident	22 Å²	22	14.2 Å²	14.2	13%	0.133	8%	0.081	C	C	.	.			trans	-120.7	122.9	168.5	180	0	0	0	0	106.1	M182 A183 I188 L259 M261 M273	V178-M182 HydrophobicContact CG1-CB 3.77Å; V178-M182 HydrophobicContact CG1-CG 3.87Å; V178-A183 HydrophobicContact CG1-CB 4.03Å; V178-I188 HydrophobicContact CG1-CD1 3.82Å; V178-L259 HydrophobicContact CG2-CD2 4.1Å; V178-M261 HydrophobicContact CG2-CE 4.19Å; V178-M261 HydrophobicContact CG2-SD 4.07Å; V178-M273 HydrophobicContact CG2-CE 4.48Å
179	T	87.8	Confident	88.3	Confident	33 Å²	33	16.5 Å²	16.5	20%	0.202	10%	0.095	C	C	.	.			trans	-71.8	159	176.8	61.5	0	0	0	0	110.3	Y177 F181 M182 A183	Y177-T179 HydrophobicContact CD2-CG2 4.03Å; Y177-T179 HydrophobicContact CE2-CG2 3.97Å; T179-F181 PolarHBondContact O-N 2.79Å; T179-M182 PolarHBondContact O-N 3.4Å; T179-M182 VanDerWaalsContact O-N 3.09Å; T179-M182 WeakPolarHBondContact OG1-CB 3.39Å; T179-M182 PolarHBondContact OG1-N 3.2Å; T179-A183 WeakPolarHBondContact O-CB 3.16Å; T179-A183 PolarHBondContact O-N 3.13Å
180	D	85.7	Confident	88.3	Confident	19 Å²	19	16.9 Å²	16.9	10%	0.102	10%	0.099	C	C	.	.	H	α-helix	trans	-56	-36.1	174.9	-78.8	-9.1	0	0	0	112.4	A183 M184 H197	D180-A183 PolarHBondContact O-N 3.31Å; D180-M184 VanDerWaalsContact O-CB 3.32Å; D180-M184 WeakPolarHBondContact O-CB 3.34Å; D180-M184 PolarHBondContact O-N 2.82Å; D180-H197 IonicContact OD1-CD2 3.51Å; D180-H197 IonicContact OD2-CD2 3.45Å; D180-H197 PolarHBondContact OD2-CD2 2.93Å; D180-H197 VanDerWaalsContact OD2-CD2 3.28Å; D180-H197 IonicContact OD2-NE2 2.75Å; D180-H197 PolarHBondContact OD2-NE2 3.44Å; D180-H197 VanDerWaalsContact OD2-NE2 3.14Å
181	F	85.7	Confident	88.2	Confident	6 Å²	6	20.1 Å²	20.1	3%	0.026	12%	0.116	C	C	.	.	H	α-helix	trans	-63.8	-47.4	176.2	-175.8	-113.5	0	0	0	111.8	C152 T179 A183 M184 L185 P228 I229 L232 I250	C152-F181 VanDerWaalsContact O-CE1 3.29Å; C152-F181 WeakPolarHBondContact O-CE1 3.49Å; T179-F181 PolarHBondContact O-N 2.79Å; F181-A183 VanDerWaalsContact C-N 3.35Å; F181-A183 PolarHBondContact O-N 3.49Å; F181-M184 WeakPolarHBondContact O-CB 2.93Å; F181-M184 PolarHBondContact O-N 2.85Å; F181-L185 HydrophobicContact CD1-CD1 4Å; F181-L185 HydrophobicContact CE1-CD1 3.37Å; F181-L185 HydrophobicContact CE1-CG 4.08Å; F181-L185 HydrophobicContact CE2-CD1 4.3Å; F181-L185 HydrophobicContact CE2-CD2 4.24Å; F181-L185 HydrophobicContact CE2-CG 4.16Å; F181-L185 HydrophobicContact CZ-CD1 3.53Å; F181-L185 HydrophobicContact CZ-CD2 4.03Å; F181-L185 HydrophobicContact CZ-CG 3.87Å; F181-L185 WeakPolarHBondContact O-CG 3.5Å; F181-L185 PolarHBondContact O-N 2.79Å; F181-P228 HydrophobicContact CB-CG 4.36Å; F181-P228 HydrophobicContact CD1-CG 4.46Å; F181-P228 HydrophobicContact CG-CG 4.23Å; F181-I229 HydrophobicContact CD2-CD1 4.35Å; F181-I229 HydrophobicContact CD2-CG1 3.69Å; F181-I229 HydrophobicContact CE2-CG1 3.79Å; F181-L232 HydrophobicContact CD1-CD1 4.41Å; F181-L232 HydrophobicContact CE1-CD1 3.77Å; F181-L232 HydrophobicContact CE2-CD1 4.03Å; F181-L232 HydrophobicContact CZ-CD1 3.57Å; F181-I250 HydrophobicContact CE2-CD1 4.31Å; F181-I250 HydrophobicContact CZ-CD1 3.74Å; F181-I250 HydrophobicContact CZ-CG1 4.3Å
182	M	87.2	Confident	88.2	Confident	11 Å²	11	21 Å²	21	5%	0.054	12%	0.122	C	C	.	.	H	α-helix	trans	-65.2	-41.1	177.6	-169.6	67.5	-94.5	0	0	111.4	C171 V178 T179 M184 L185 M186 P256 L259	C171-M182 HydrophobicContact CB-CE 4.45Å; C171-M182 HydrophobicContact CB-SD 3.66Å; V178-M182 HydrophobicContact CG1-CB 3.77Å; V178-M182 HydrophobicContact CG1-CG 3.87Å; T179-M182 PolarHBondContact O-N 3.4Å; T179-M182 VanDerWaalsContact O-N 3.09Å; T179-M182 WeakPolarHBondContact OG1-CB 3.39Å; T179-M182 PolarHBondContact OG1-N 3.2Å; M182-M184 VanDerWaalsContact C-N 3.28Å; M182-M184 PolarHBondContact O-N 2.9Å; M182-L185 HydrophobicContact CE-CB 3.95Å; M182-L185 HydrophobicContact CE-CD1 4.36Å; M182-L185 PolarHBondContact O-N 3.36Å; M182-M186 HydrophobicContact CE-CB 4.29Å; M182-M186 HydrophobicContact CE-CG 3.39Å; M182-M186 HydrophobicContact CE-SD 3.38Å; M182-M186 WeakPolarHBondContact CE-SD 3.3Å; M182-M186 PolarHBondContact O-N 3.23Å; M182-M186 VanDerWaalsContact O-N 3.14Å; M182-M186 HydrophobicContact SD-SD 4.45Å; M182-P256 HydrophobicContact CE-CB 4.17Å; M182-P256 HydrophobicContact CE-CG 3.59Å; M182-L259 HydrophobicContact CG-CD1 4.2Å; M182-L259 HydrophobicContact CG-CD2 3.86Å; M182-L259 HydrophobicContact SD-CD1 4.02Å
183	A	88.5	Confident	88.1	Confident	3 Å²	3	23.4 Å²	23.4	3%	0.025	14%	0.139	C	C	.	.	H	α-helix	trans	-61.6	-37.9	175.3	0	0	0	0	0	112	V178 T179 D180 F181 A187 I188	V178-A183 HydrophobicContact CG1-CB 4.03Å; T179-A183 WeakPolarHBondContact O-CB 3.16Å; T179-A183 PolarHBondContact O-N 3.13Å; D180-A183 PolarHBondContact O-N 3.31Å; F181-A183 VanDerWaalsContact C-N 3.35Å; F181-A183 PolarHBondContact O-N 3.49Å; A183-A187 CarbonylContact O-C 3.52Å; A183-A187 VanDerWaalsContact O-CA 3.27Å; A183-A187 WeakPolarHBondContact O-CA 3.14Å; A183-A187 PolarHBondContact O-N 3.21Å; A183-I188 HydrophobicContact CB-CB 4.19Å; A183-I188 PolarHBondContact O-N 3.39Å
184	M	85	Confident	88.1	Confident	52 Å²	52	27 Å²	27	26%	0.256	15%	0.152	S	C	.	.	H	α-helix	trans	-65.9	-50.6	174.7	-175	-172	-54	0	0	112	D180 F181 M182 M186 A187 R222 I229 F251	D180-M184 VanDerWaalsContact O-CB 3.32Å; D180-M184 WeakPolarHBondContact O-CB 3.34Å; D180-M184 PolarHBondContact O-N 2.82Å; F181-M184 WeakPolarHBondContact O-CB 2.93Å; F181-M184 PolarHBondContact O-N 2.85Å; M182-M184 VanDerWaalsContact C-N 3.28Å; M182-M184 PolarHBondContact O-N 2.9Å; M184-M186 VanDerWaalsContact C-N 3.28Å; M184-M186 PolarHBondContact O-N 3.17Å; M184-A187 PolarHBondContact O-N 3.12Å; M184-R222 HydrophobicContact CE-CG 3.98Å; M184-I229 HydrophobicContact CE-CD1 3.68Å; M184-I229 HydrophobicContact SD-CD1 3.8Å; M184-F251 HydrophobicContact SD-CE1 4.04Å
185	L	82.4	Confident	88.2	Confident	19 Å²	19	27.1 Å²	27.1	10%	0.099	15%	0.149	C	C	.	.	H	α-helix	trans	-60.2	-36.3	-177.2	-73.7	-177.6	0	0	0	113.1	F181 M182 F251 A254 P256	F181-L185 HydrophobicContact CD1-CD1 4Å; F181-L185 HydrophobicContact CE1-CD1 3.37Å; F181-L185 HydrophobicContact CE1-CG 4.08Å; F181-L185 HydrophobicContact CE2-CD1 4.3Å; F181-L185 HydrophobicContact CE2-CD2 4.24Å; F181-L185 HydrophobicContact CE2-CG 4.16Å; F181-L185 HydrophobicContact CZ-CD1 3.53Å; F181-L185 HydrophobicContact CZ-CD2 4.03Å; F181-L185 HydrophobicContact CZ-CG 3.87Å; F181-L185 WeakPolarHBondContact O-CG 3.5Å; F181-L185 PolarHBondContact O-N 2.79Å; M182-L185 HydrophobicContact CE-CB 3.95Å; M182-L185 HydrophobicContact CE-CD1 4.36Å; M182-L185 PolarHBondContact O-N 3.36Å; L185-F251 HydrophobicContact CD2-CD1 4.37Å; L185-A254 WeakPolarHBondContact CD1-O 3.4Å; L185-P256 HydrophobicContact CB-CG 4.25Å; L185-P256 HydrophobicContact CD1-CG 4.13Å
186	M	85	Confident	88.4	Confident	6 Å²	6	28.2 Å²	28.2	3%	0.03	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	2.2	-179.6	-71	179.9	86	0	0	113.8	M182 M184 I188 P256 L259 L274 I277	M182-M186 HydrophobicContact CE-CB 4.29Å; M182-M186 HydrophobicContact CE-CG 3.39Å; M182-M186 HydrophobicContact CE-SD 3.38Å; M182-M186 WeakPolarHBondContact CE-SD 3.3Å; M182-M186 PolarHBondContact O-N 3.23Å; M182-M186 VanDerWaalsContact O-N 3.14Å; M182-M186 HydrophobicContact SD-SD 4.45Å; M184-M186 VanDerWaalsContact C-N 3.28Å; M184-M186 PolarHBondContact O-N 3.17Å; M186-I188 HydrophobicContact CB-CD1 3.9Å; M186-I188 HydrophobicContact CB-CG1 3.79Å; M186-I188 PolarHBondContact O-N 2.96Å; M186-I188 HydrophobicContact SD-CD1 4.23Å; M186-P256 HydrophobicContact CG-CB 4.3Å; M186-P256 HydrophobicContact CG-CG 4.36Å; M186-P256 HydrophobicContact SD-CB 4.45Å; M186-L259 HydrophobicContact CE-CB 4.06Å; M186-L259 HydrophobicContact SD-CB 3.68Å; M186-L259 HydrophobicContact SD-CD2 4.39Å; M186-L274 HydrophobicContact CB-CD1 4.21Å; M186-L274 HydrophobicContact CE-CD1 4.47Å; M186-L274 VanDerWaalsContact O-CD1 3.23Å; M186-L274 WeakPolarHBondContact O-CD1 3.47Å; M186-I277 HydrophobicContact CE-CG1 4.05Å
187	A	84.4	Confident	88.6	Confident	23 Å²	23	28.7 Å²	28.7	19%	0.19	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	39	-170.6	0	0	0	0	0	114.2	A183 M184 P189 L485 A487 T488	A183-A187 CarbonylContact O-C 3.52Å; A183-A187 VanDerWaalsContact O-CA 3.27Å; A183-A187 WeakPolarHBondContact O-CA 3.14Å; A183-A187 PolarHBondContact O-N 3.21Å; M184-A187 PolarHBondContact O-N 3.12Å; A187-P189 WeakPolarHBondContact O-CD 3.36Å; A187-L485 HydrophobicContact CB-CB 4.1Å; A187-L485 HydrophobicContact CB-CD1 4.19Å; A187-L485 VanDerWaalsContact O-CD1 3.25Å; A187-L485 WeakPolarHBondContact O-CD1 3.5Å; A187-A487 HydrophobicContact CB-CB 4.25Å; A187-T488 HydrophobicContact CB-CG2 3.43Å; A187-T488 VanDerWaalsContact CB-CG2 3.43Å
188	I	88	Confident	88.5	Confident	5 Å²	5	29.5 Å²	29.5	3%	0.026	16%	0.163	C	C	.	.			trans	-73.6	126.4	174	-58.1	164.5	0	0	0	108.5	V178 A183 M186 S190 L259 M273 L274 I277	V178-I188 HydrophobicContact CG1-CD1 3.82Å; A183-I188 HydrophobicContact CB-CB 4.19Å; A183-I188 PolarHBondContact O-N 3.39Å; M186-I188 HydrophobicContact CB-CD1 3.9Å; M186-I188 HydrophobicContact CB-CG1 3.79Å; M186-I188 PolarHBondContact O-N 2.96Å; M186-I188 HydrophobicContact SD-CD1 4.23Å; I188-S190 PolarHBondContact O-N 3.45Å; I188-L259 HydrophobicContact CD1-CD2 4.46Å; I188-M273 HydrophobicContact CG2-CE 3.42Å; I188-M273 VanDerWaalsContact CG2-CE 3.42Å; I188-L274 HydrophobicContact CG1-CD1 4.14Å; I188-L274 HydrophobicContact CG1-CG 4.37Å; I188-I277 HydrophobicContact CD1-CD1 3.49Å; I188-I277 VanDerWaalsContact CD1-CD1 3.49Å; I188-I277 HydrophobicContact CG1-CD1 3.94Å
189	P	86.6	Confident	88.2	Confident	59 Å²	59	32 Å²	32	38%	0.383	17%	0.172	S	C	.	.			trans	-57.3	126.1	174.2	-26.1	35.6	0	0	0	112.5	A187 R271 P272	A187-P189 WeakPolarHBondContact O-CD 3.36Å; P189-R271 PolarHBondContact O-NH2 3.11Å; P189-R271 VanDerWaalsContact O-NH2 3.17Å; P189-P272 HydrophobicContact CB-CB 4.11Å; P189-P272 HydrophobicContact CB-CG 4.06Å; P189-P272 HydrophobicContact CG-CB 3.92Å; P189-P272 HydrophobicContact CG-CG 4.35Å
190	S	89.1	Confident	88.1	Confident	18 Å²	18	30.9 Å²	30.9	13%	0.126	17%	0.165	C	C	.	.			trans	-131.5	64.7	-178.6	65.5	0	0	0	0	110.1	I188 P192 Q218	I188-S190 PolarHBondContact O-N 3.45Å; S190-P192 WeakPolarHBondContact O-CD 3.03Å; S190-Q218 PolarHBondContact O-NE2 3.22Å
191	N	91	Very high	88.1	Confident	69 Å²	69	32.6 Å²	32.6	37%	0.369	18%	0.182	S	C	.	.			trans	-74.4	119.4	-176.6	-170.2	-28	0	0	0	110.7	S193 Y194 I195	N191-S193 VanDerWaalsContact CG-OG 3.28Å; N191-S193 PolarHBondContact O-N 3.29Å; N191-S193 WeakPolarHBondContact OD1-CB 3.24Å; N191-S193 PolarHBondContact OD1-N 3.03Å; N191-S193 PolarHBondContact OD1-OG 3.19Å; N191-Y194 HydrophobicContact CB-CD1 4.27Å; N191-Y194 HydrophobicContact CB-CE1 3.59Å; N191-Y194 HydrophobicContact CB-CE2 4.3Å; N191-Y194 PolarHBondContact O-N 2.81Å; N191-I195 WeakPolarHBondContact O-CB 3.27Å; N191-I195 PolarHBondContact O-N 3.26Å
192	P	92.2	Very high	88.3	Confident	18 Å²	18	33.8 Å²	33.8	12%	0.117	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-10.4	-177.5	24.8	-33.7	0	0	0	114.2	S190 Y194 N214 A215 W219	S190-P192 WeakPolarHBondContact O-CD 3.03Å; P192-Y194 VanDerWaalsContact C-N 3.32Å; P192-N214 PolarHBondContact O-ND2 3.25Å; P192-A215 HydrophobicContact CB-CB 3.88Å; P192-A215 HydrophobicContact CG-CB 4.15Å; P192-W219 HydrophobicContact CG-CZ2 4.47Å
193	S	91.9	Very high	88.6	Confident	53 Å²	53	34.7 Å²	34.7	37%	0.371	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-25.4	178.8	67.3	0	0	0	0	113.7	N191 R211	N191-S193 VanDerWaalsContact CG-OG 3.28Å; N191-S193 PolarHBondContact O-N 3.29Å; N191-S193 WeakPolarHBondContact OD1-CB 3.24Å; N191-S193 PolarHBondContact OD1-N 3.03Å; N191-S193 PolarHBondContact OD1-OG 3.19Å; S193-R211 WeakPolarHBondContact O-CD 3.45Å; S193-R211 WeakPolarHBondContact O-CG 3.49Å
194	Y	91.6	Very high	88.8	Confident	88 Å²	88	35.9 Å²	35.9	35%	0.345	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.9	-8.9	-179.2	58.2	-100.9	0	0	0	114.3	N191 P192 P196 D204	N191-Y194 HydrophobicContact CB-CD1 4.27Å; N191-Y194 HydrophobicContact CB-CE1 3.59Å; N191-Y194 HydrophobicContact CB-CE2 4.3Å; N191-Y194 PolarHBondContact O-N 2.81Å; P192-Y194 VanDerWaalsContact C-N 3.32Å; Y194-P196 WeakPolarHBondContact O-CD 3.46Å; Y194-D204 WeakPolarHBondContact O-CA 3.46Å
195	I	93.4	Very high	89.1	Confident	19 Å²	19	38.1 Å²	38.1	10%	0.097	22%	0.218	C	C	.	.	S	Bend	trans	-98.4	111.3	171.6	-56.3	-60	0	0	0	108.6	N191 N214 R271	N191-I195 WeakPolarHBondContact O-CB 3.27Å; N191-I195 PolarHBondContact O-N 3.26Å; I195-N214 PolarHBondContact O-ND2 3.43Å; I195-R271 HydrophobicContact CD1-CB 3.55Å
196	P	93.3	Very high	89.7	Confident	23 Å²	23	38.2 Å²	38.2	15%	0.149	22%	0.218	C	C	.	.			trans	-67.9	135.7	174.8	27.7	-32.8	0	0	0	110.3	Y194 M202 N214 F269	Y194-P196 WeakPolarHBondContact O-CD 3.46Å; P196-M202 HydrophobicContact CB-CB 4.09Å; P196-M202 WeakPolarHBondContact CB-O 3.3Å; P196-N214 WeakPolarHBondContact CA-OD1 3.41Å; P196-F269 HydrophobicContact CG-CD2 3.72Å; P196-F269 HydrophobicContact CG-CE2 3.71Å
197	H	91.8	Very high	90.2	Very high	10 Å²	10	41.8 Å²	41.8	5%	0.046	24%	0.241	C	C	.	.			trans	-70.1	148.7	177.5	-177.6	-89.3	0	0	0	110.8	D180 F199 T200 N214 I217 Q218	D180-H197 IonicContact OD1-CD2 3.51Å; D180-H197 IonicContact OD2-CD2 3.45Å; D180-H197 PolarHBondContact OD2-CD2 2.93Å; D180-H197 VanDerWaalsContact OD2-CD2 3.28Å; D180-H197 IonicContact OD2-NE2 2.75Å; D180-H197 PolarHBondContact OD2-NE2 3.44Å; D180-H197 VanDerWaalsContact OD2-NE2 3.14Å; H197-F199 AromaticContact CE1-CD2 3.33Å; H197-F199 WeakPolarHBondContact CE1-CD2 3.45Å; H197-F199 AromaticContact CE1-CE2 3.95Å; H197-F199 AromaticContact CE1-CG 3.93Å; H197-F199 AromaticContact ND1-CD2 3.88Å; H197-F199 PolarHBondContact ND1-N 2.92Å; H197-F199 VanDerWaalsContact ND1-N 3.16Å; H197-F199 PolarHBondContact O-N 3.25Å; H197-T200 HydrophobicContact CB-CG2 4.21Å; H197-T200 PolarHBondContact O-N 3.07Å; H197-T200 PolarHBondContact O-OG1 3.11Å; H197-N214 WeakPolarHBondContact CB-OD1 3.41Å; H197-N214 PolarHBondContact N-OD1 3.01Å; H197-I217 HydrophobicContact CB-CG2 4.48Å; H197-I217 WeakPolarHBondContact ND1-CG2 3.31Å; H197-Q218 HydrophobicContact CB-CB 4.41Å
198	F	87.8	Confident	90.8	Very high	64 Å²	64	46.9 Å²	46.9	28%	0.281	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-34.9	-176.1	176.7	-97	0	0	0	114.6	Y177 T200 D406	Y177-F198 HydrophobicContact CD1-CE2 4.27Å; Y177-F198 AromaticContact CD2-CD2 3.84Å; Y177-F198 HydrophobicContact CD2-CD2 3.84Å; Y177-F198 AromaticContact CD2-CE2 3.88Å; Y177-F198 HydrophobicContact CD2-CE2 3.88Å; Y177-F198 HydrophobicContact CE1-CE2 4.15Å; Y177-F198 HydrophobicContact CE2-CD2 4.15Å; Y177-F198 AromaticContact CE2-CE2 3.75Å; Y177-F198 HydrophobicContact CE2-CE2 3.75Å; Y177-F198 HydrophobicContact CG-CD2 4.09Å; Y177-F198 HydrophobicContact CG-CE2 4.14Å; Y177-F198 AromaticContact CZ-CE2 3.89Å; F198-T200 VanDerWaalsContact C-N 3.33Å; F198-D406 HydrophobicContact CE2-CB 3.92Å; F198-D406 HydrophobicContact CZ-CB 4.36Å
199	F	83.9	Confident	91.2	Very high	73 Å²	73	50.5 Å²	50.5	32%	0.32	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	3.3	179	-62.9	-48.8	0	0	0	115	L112 L116 H197 I217 V221	L112-F199 HydrophobicContact CD1-CD1 4.02Å; L112-F199 HydrophobicContact CD1-CE1 3.88Å; L112-F199 HydrophobicContact CD1-CZ 4.46Å; L112-F199 HydrophobicContact CD2-CD1 4.37Å; L112-F199 HydrophobicContact CD2-CD2 4.4Å; L112-F199 HydrophobicContact CD2-CG 4.26Å; L116-F199 HydrophobicContact CD2-CZ 4.27Å; H197-F199 AromaticContact CE1-CD2 3.33Å; H197-F199 WeakPolarHBondContact CE1-CD2 3.45Å; H197-F199 AromaticContact CE1-CE2 3.95Å; H197-F199 AromaticContact CE1-CG 3.93Å; H197-F199 AromaticContact ND1-CD2 3.88Å; H197-F199 PolarHBondContact ND1-N 2.92Å; H197-F199 VanDerWaalsContact ND1-N 3.16Å; H197-F199 PolarHBondContact O-N 3.25Å; F199-I217 HydrophobicContact CB-CG2 4.46Å; F199-V221 HydrophobicContact CD2-CG2 3.98Å; F199-V221 HydrophobicContact CE2-CG1 4.26Å; F199-V221 HydrophobicContact CE2-CG2 4.05Å
200	T	86	Confident	91.6	Very high	10 Å²	10	51.2 Å²	51.2	6%	0.061	28%	0.28	C	S	.	.			trans	-104.8	151	177.3	72.5	0	0	0	0	110.9	H197 F198 M202 N214 I217	H197-T200 HydrophobicContact CB-CG2 4.21Å; H197-T200 PolarHBondContact O-N 3.07Å; H197-T200 PolarHBondContact O-OG1 3.11Å; F198-T200 VanDerWaalsContact C-N 3.33Å; T200-M202 HydrophobicContact CG2-SD 4.28Å; T200-M202 PolarHBondContact O-N 2.59Å; T200-N214 PolarHBondContact OG1-OD1 3.34Å; T200-I217 HydrophobicContact CG2-CD1 3.71Å
201	A	85.1	Confident	92	Very high	55 Å²	55	54.8 Å²	54.8	46%	0.455	29%	0.291	S	S	.	.			trans	-91.7	25.1	173.8	0	0	0	0	0	111.9	P408	A201-P408 HydrophobicContact CB-CB 3.51Å
202	M	90.5	Very high	92.3	Very high	31 Å²	31	56.2 Å²	56.2	15%	0.153	30%	0.297	C	S	.	.			trans	-92	161.5	-169.1	-65.1	172.2	-178.7	0	0	111.9	P196 T200 M206 E210 T213 N214	P196-M202 HydrophobicContact CB-CB 4.09Å; P196-M202 WeakPolarHBondContact CB-O 3.3Å; T200-M202 HydrophobicContact CG2-SD 4.28Å; T200-M202 PolarHBondContact O-N 2.59Å; M202-M206 HydrophobicContact CB-CG 4.12Å; M202-M206 HydrophobicContact CB-SD 4.11Å; M202-M206 HydrophobicContact SD-CG 4.36Å; M202-M206 HydrophobicContact SD-SD 3.79Å; M202-E210 HydrophobicContact CE-CB 3.81Å; M202-E210 HydrophobicContact CE-CG 4.02Å; M202-E210 WeakPolarHBondContact CE-O 3.22Å; M202-E210 HydrophobicContact SD-CB 3.87Å; M202-E210 HydrophobicContact SD-CG 4.49Å; M202-E210 VanDerWaalsContact SD-O 3.39Å; M202-T213 HydrophobicContact CE-CG2 4.13Å; M202-N214 HydrophobicContact SD-CB 3.98Å
203	S	92.2	Very high	92.4	Very high	30 Å²	30	58.3 Å²	58.3	21%	0.21	31%	0.31	C	S	.	.			trans	-98.3	179.4	172	84.1	0	0	0	0	112.1	V205 M206	S203-V205 PolarHBondContact O-N 2.73Å; S203-V205 PolarHBondContact OG-N 3.17Å; S203-V205 PolarHBondContact OG-O 2.63Å; S203-M206 WeakPolarHBondContact O-CG 3.38Å
204	D	92.6	Very high	92.5	Very high	29 Å²	29	55.8 Å²	55.8	16%	0.155	29%	0.292	C	S	.	.	S	Bend	trans	-64.9	-17	167.8	61.1	-36.1	0	0	0	113.2	Y194 F269 R416	Y194-D204 WeakPolarHBondContact O-CA 3.46Å; D204-F269 HydrophobicContact CB-CB 4.05Å; D204-F269 HydrophobicContact CB-CD1 3.86Å; D204-F269 HydrophobicContact CB-CG 3.96Å; D204-F269 VanDerWaalsContact OD1-CD1 3.31Å; D204-F269 WeakPolarHBondContact OD1-CD1 3.35Å; D204-F269 WeakPolarHBondContact OD1-CE1 3.48Å; D204-R416 VanDerWaalsContact OD1-CD 3.3Å; D204-R416 WeakPolarHBondContact OD1-CD 3.22Å; D204-R416 IonicContact OD1-CZ 2.63Å; D204-R416 IonicContact OD1-NE 3Å; D204-R416 PolarHBondContact OD1-NE 3Å; D204-R416 IonicContact OD1-NH2 3.07Å; D204-R416 IonicContact OD2-CZ 3.44Å; D204-R416 IonicContact OD2-NE 3.46Å; D204-R416 PolarHBondContact OD2-NE 3.31Å; D204-R416 IonicContact OD2-NH2 2.69Å; D204-R416 PolarHBondContact OD2-NH2 2.82Å
205	V	93.3	Very high	92.6	Very high	98 Å²	98	52.3 Å²	52.3	59%	0.594	28%	0.281	S	S	*	.	S	Bend	trans	-103.4	115.6	171.9	-174.9	0	0	0	0	108.7	S203	S203-V205 PolarHBondContact O-N 2.73Å; S203-V205 PolarHBondContact OG-N 3.17Å; S203-V205 PolarHBondContact OG-O 2.63Å
206	M	94.2	Very high	92.7	Very high	22 Å²	22	55.3 Å²	55.3	11%	0.108	30%	0.296	C	S	.	.			trans	-132.7	137.5	-175.8	-76.9	178.5	-80	0	0	110.5	M202 S203 E210 R211 N214	M202-M206 HydrophobicContact CB-CG 4.12Å; M202-M206 HydrophobicContact CB-SD 4.11Å; M202-M206 HydrophobicContact SD-CG 4.36Å; M202-M206 HydrophobicContact SD-SD 3.79Å; S203-M206 WeakPolarHBondContact O-CG 3.38Å; M206-E210 HydrophobicContact CB-CB 3.92Å; M206-E210 HydrophobicContact CG-CB 4.06Å; M206-R211 HydrophobicContact CB-CB 4.43Å; M206-R211 HydrophobicContact CB-CG 3.68Å; M206-R211 HydrophobicContact CE-CG 4.07Å; M206-R211 HydrophobicContact SD-CG 4.17Å; M206-N214 HydrophobicContact SD-CB 3.78Å
207	T	96.1	Very high	92.6	Very high	81 Å²	81	56.5 Å²	56.5	50%	0.497	30%	0.301	S	S	.	.			trans	-64.3	167	164.4	62.8	0	0	0	0	110.8	E210 R211	T207-E210 WeakPolarHBondContact CB-OE2 3.3Å; T207-E210 WeakPolarHBondContact CG2-OE2 3.21Å; T207-E210 PolarHBondContact N-OE2 2.78Å; T207-E210 PolarHBondContact O-N 2.94Å; T207-E210 VanDerWaalsContact OG1-CD 3.24Å; T207-E210 VanDerWaalsContact OG1-CG 3.28Å; T207-E210 WeakPolarHBondContact OG1-CG 3.33Å; T207-E210 PolarHBondContact OG1-OE2 3.36Å; T207-R211 WeakPolarHBondContact O-CB 3.48Å; T207-R211 PolarHBondContact O-N 3.37Å
208	F	96.8	Very high	92.6	Very high	130 Å²	130	56.3 Å²	56.3	57%	0.57	30%	0.3	S	S	*	.	H	α-helix	trans	-58.1	-46.9	178.6	175.9	-94.2	0	0	0	113.5	E210 R211 M212	F208-E210 VanDerWaalsContact C-N 3.34Å; F208-E210 PolarHBondContact O-N 3.37Å; F208-R211 PolarHBondContact O-N 2.86Å; F208-M212 HydrophobicContact CE1-SD 4.41Å; F208-M212 WeakPolarHBondContact O-CB 3.48Å; F208-M212 PolarHBondContact O-N 3.24Å
209	P	96.6	Very high	92.7	Very high	80 Å²	80	60.4 Å²	60.4	52%	0.519	31%	0.314	S	S	.	.	H	α-helix	trans	-59.8	-42.5	176	-24.9	35.7	0	0	0	112.8	M212 T213	P209-M212 PolarHBondContact O-N 3.14Å; P209-T213 PolarHBondContact O-N 3.27Å; P209-T213 PolarHBondContact O-OG1 3.28Å
210	E	95.2	Very high	93	Very high	74 Å²	74	59.5 Å²	59.5	35%	0.346	32%	0.315	S	S	.	.	H	α-helix	trans	-61.9	-46.6	177.3	-70.6	168.6	142.8	0	0	111.5	M202 M206 T207 F208 M212 T213 N214	M202-E210 HydrophobicContact CE-CB 3.81Å; M202-E210 HydrophobicContact CE-CG 4.02Å; M202-E210 WeakPolarHBondContact CE-O 3.22Å; M202-E210 HydrophobicContact SD-CB 3.87Å; M202-E210 HydrophobicContact SD-CG 4.49Å; M202-E210 VanDerWaalsContact SD-O 3.39Å; M206-E210 HydrophobicContact CB-CB 3.92Å; M206-E210 HydrophobicContact CG-CB 4.06Å; T207-E210 WeakPolarHBondContact CB-OE2 3.3Å; T207-E210 WeakPolarHBondContact CG2-OE2 3.21Å; T207-E210 PolarHBondContact N-OE2 2.78Å; T207-E210 PolarHBondContact O-N 2.94Å; T207-E210 VanDerWaalsContact OG1-CD 3.24Å; T207-E210 VanDerWaalsContact OG1-CG 3.28Å; T207-E210 WeakPolarHBondContact OG1-CG 3.33Å; T207-E210 PolarHBondContact OG1-OE2 3.36Å; F208-E210 VanDerWaalsContact C-N 3.34Å; F208-E210 PolarHBondContact O-N 3.37Å; E210-M212 VanDerWaalsContact C-N 3.33Å; E210-M212 PolarHBondContact O-N 3.23Å; E210-T213 PolarHBondContact O-N 2.89Å; E210-N214 VanDerWaalsContact O-CB 3.29Å; E210-N214 WeakPolarHBondContact O-CB 3.43Å; E210-N214 PolarHBondContact O-N 3.23Å
211	R	96.7	Very high	93	Very high	93 Å²	93	59.8 Å²	59.8	35%	0.351	32%	0.316	S	S	.	.	H	α-helix	trans	-58.9	-41.6	174.5	-98.7	164.2	48.5	-123.2	-9.3	113	S193 M206 T207 F208 N214 A215	S193-R211 WeakPolarHBondContact O-CD 3.45Å; S193-R211 WeakPolarHBondContact O-CG 3.49Å; M206-R211 HydrophobicContact CB-CB 4.43Å; M206-R211 HydrophobicContact CB-CG 3.68Å; M206-R211 HydrophobicContact CE-CG 4.07Å; M206-R211 HydrophobicContact SD-CG 4.17Å; T207-R211 WeakPolarHBondContact O-CB 3.48Å; T207-R211 PolarHBondContact O-N 3.37Å; F208-R211 PolarHBondContact O-N 2.86Å; R211-N214 PolarHBondContact O-N 3.4Å; R211-A215 WeakPolarHBondContact O-CB 3.25Å; R211-A215 PolarHBondContact O-N 2.82Å
212	M	96.3	Very high	92.9	Very high	99 Å²	99	61.5 Å²	61.5	49%	0.488	31%	0.311	S	S	.	.	H	α-helix	trans	-63.8	-48.4	178.1	-172.6	176.5	83.8	0	0	110.6	F208 P209 E210 N214 A215 I216	F208-M212 HydrophobicContact CE1-SD 4.41Å; F208-M212 WeakPolarHBondContact O-CB 3.48Å; F208-M212 PolarHBondContact O-N 3.24Å; P209-M212 PolarHBondContact O-N 3.14Å; E210-M212 VanDerWaalsContact C-N 3.33Å; E210-M212 PolarHBondContact O-N 3.23Å; M212-N214 VanDerWaalsContact C-N 3.33Å; M212-N214 PolarHBondContact O-N 3.27Å; M212-A215 PolarHBondContact O-N 3.12Å; M212-I216 HydrophobicContact CG-CD1 3.94Å; M212-I216 VanDerWaalsContact O-CG1 3.29Å; M212-I216 WeakPolarHBondContact O-CG1 3.41Å; M212-I216 PolarHBondContact O-N 3.32Å
213	T	94.7	Very high	92.7	Very high	63 Å²	63	64.5 Å²	64.5	39%	0.387	33%	0.331	S	S	.	.	H	α-helix	trans	-60.2	-43.2	175.3	-61.8	0	0	0	0	111.5	M202 P209 E210 A215 I216 I217	M202-T213 HydrophobicContact CE-CG2 4.13Å; P209-T213 PolarHBondContact O-N 3.27Å; P209-T213 PolarHBondContact O-OG1 3.28Å; E210-T213 PolarHBondContact O-N 2.89Å; T213-A215 PolarHBondContact O-N 2.99Å; T213-I216 PolarHBondContact O-N 3.12Å; T213-I217 HydrophobicContact CG2-CD1 3.7Å; T213-I217 HydrophobicContact CG2-CG1 4.4Å; T213-I217 WeakPolarHBondContact O-CB 3.47Å; T213-I217 VanDerWaalsContact O-CG1 3.27Å; T213-I217 WeakPolarHBondContact O-CG1 3.3Å; T213-I217 PolarHBondContact O-N 3.17Å
214	N	94.3	Very high	92.3	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-59.4	-47.8	177.6	-168.1	60.8	0	0	0	112	P192 I195 P196 H197 T200 M202 M206 E210 R211 M212 I217 Q218	P192-N214 PolarHBondContact O-ND2 3.25Å; I195-N214 PolarHBondContact O-ND2 3.43Å; P196-N214 WeakPolarHBondContact CA-OD1 3.41Å; H197-N214 WeakPolarHBondContact CB-OD1 3.41Å; H197-N214 PolarHBondContact N-OD1 3.01Å; T200-N214 PolarHBondContact OG1-OD1 3.34Å; M202-N214 HydrophobicContact SD-CB 3.98Å; M206-N214 HydrophobicContact SD-CB 3.78Å; E210-N214 VanDerWaalsContact O-CB 3.29Å; E210-N214 WeakPolarHBondContact O-CB 3.43Å; E210-N214 PolarHBondContact O-N 3.23Å; R211-N214 PolarHBondContact O-N 3.4Å; M212-N214 VanDerWaalsContact C-N 3.33Å; M212-N214 PolarHBondContact O-N 3.27Å; N214-I217 PolarHBondContact O-N 3.42Å; N214-Q218 WeakPolarHBondContact O-CB 3.34Å; N214-Q218 PolarHBondContact O-N 2.99Å
215	A	94.8	Very high	91.9	Very high	14 Å²	14	72 Å²	72	12%	0.116	37%	0.368	C	S	.	.	H	α-helix	trans	-63.3	-45.8	178	0	0	0	0	0	112.5	P192 R211 M212 T213 I217 Q218 W219	P192-A215 HydrophobicContact CB-CB 3.88Å; P192-A215 HydrophobicContact CG-CB 4.15Å; R211-A215 WeakPolarHBondContact O-CB 3.25Å; R211-A215 PolarHBondContact O-N 2.82Å; M212-A215 PolarHBondContact O-N 3.12Å; T213-A215 PolarHBondContact O-N 2.99Å; A215-I217 PolarHBondContact O-N 3.33Å; A215-Q218 PolarHBondContact O-N 3.47Å; A215-W219 HydrophobicContact CB-CE3 4.42Å; A215-W219 HydrophobicContact CB-CH2 4.07Å; A215-W219 HydrophobicContact CB-CZ2 4.16Å; A215-W219 HydrophobicContact CB-CZ3 4.2Å; A215-W219 WeakPolarHBondContact O-CB 3.39Å; A215-W219 VanDerWaalsContact O-CD2 3.28Å; A215-W219 PolarHBondContact O-N 3.46Å
216	I	94.9	Very high	91.4	Very high	82 Å²	82	72.1 Å²	72.1	42%	0.421	36%	0.362	S	S	.	.	H	α-helix	trans	-59.3	-49.5	177.5	-69.8	167.2	0	0	0	110.1	M212 T213 Q218 W219 T220	M212-I216 HydrophobicContact CG-CD1 3.94Å; M212-I216 VanDerWaalsContact O-CG1 3.29Å; M212-I216 WeakPolarHBondContact O-CG1 3.41Å; M212-I216 PolarHBondContact O-N 3.32Å; T213-I216 PolarHBondContact O-N 3.12Å; I216-Q218 PolarHBondContact O-N 2.92Å; I216-W219 PolarHBondContact O-N 3Å; I216-T220 VanDerWaalsContact O-CB 3.32Å; I216-T220 WeakPolarHBondContact O-CB 3.4Å; I216-T220 PolarHBondContact O-N 3.44Å; I216-T220 PolarHBondContact O-OG1 3.26Å
217	I	91	Very high	90.8	Very high	49 Å²	49	73 Å²	73	25%	0.251	37%	0.367	S	S	.	.	H	α-helix	trans	-59.9	-48.6	-179.7	-69.7	169.3	0	0	0	110.6	H197 F199 T200 T213 N214 A215 W219 T220 V221	H197-I217 HydrophobicContact CB-CG2 4.48Å; H197-I217 WeakPolarHBondContact ND1-CG2 3.31Å; F199-I217 HydrophobicContact CB-CG2 4.46Å; T200-I217 HydrophobicContact CG2-CD1 3.71Å; T213-I217 HydrophobicContact CG2-CD1 3.7Å; T213-I217 HydrophobicContact CG2-CG1 4.4Å; T213-I217 WeakPolarHBondContact O-CB 3.47Å; T213-I217 VanDerWaalsContact O-CG1 3.27Å; T213-I217 WeakPolarHBondContact O-CG1 3.3Å; T213-I217 PolarHBondContact O-N 3.17Å; N214-I217 PolarHBondContact O-N 3.42Å; A215-I217 PolarHBondContact O-N 3.33Å; I217-W219 PolarHBondContact O-N 2.9Å; I217-T220 PolarHBondContact O-N 3.33Å; I217-V221 HydrophobicContact CG2-CG2 4.2Å; I217-V221 WeakPolarHBondContact O-CB 3.39Å; I217-V221 VanDerWaalsContact O-CG2 3.27Å; I217-V221 WeakPolarHBondContact O-CG2 3.43Å; I217-V221 PolarHBondContact O-N 3.05Å
218	Q	91.3	Very high	90.3	Very high	6 Å²	6	70.9 Å²	70.9	3%	0.028	35%	0.354	C	S	.	.	H	α-helix	trans	-58.9	-46.7	179.5	-175.4	178.7	-38.2	0	0	111.4	S190 H197 N214 A215 I216 R222	S190-Q218 PolarHBondContact O-NE2 3.22Å; H197-Q218 HydrophobicContact CB-CB 4.41Å; N214-Q218 WeakPolarHBondContact O-CB 3.34Å; N214-Q218 PolarHBondContact O-N 2.99Å; A215-Q218 PolarHBondContact O-N 3.47Å; I216-Q218 PolarHBondContact O-N 2.92Å; Q218-R222 WeakPolarHBondContact O-CB 3.36Å; Q218-R222 PolarHBondContact O-N 3.37Å
219	W	90.3	Very high	89.9	Confident	149 Å²	149	65.6 Å²	65.6	56%	0.564	33%	0.332	S	S	*	.	H	α-helix	trans	-67.8	-38.9	178.9	-62.5	-26.4	0	0	0	112.8	P192 A215 I216 I217 T223 L224	P192-W219 HydrophobicContact CG-CZ2 4.47Å; A215-W219 HydrophobicContact CB-CE3 4.42Å; A215-W219 HydrophobicContact CB-CH2 4.07Å; A215-W219 HydrophobicContact CB-CZ2 4.16Å; A215-W219 HydrophobicContact CB-CZ3 4.2Å; A215-W219 WeakPolarHBondContact O-CB 3.39Å; A215-W219 VanDerWaalsContact O-CD2 3.28Å; A215-W219 PolarHBondContact O-N 3.46Å; I216-W219 PolarHBondContact O-N 3Å; I217-W219 PolarHBondContact O-N 2.9Å; W219-T223 WeakPolarHBondContact O-CA 3.47Å; W219-T223 WeakPolarHBondContact O-CB 3.3Å; W219-T223 PolarHBondContact O-N 3.28Å; W219-T223 PolarHBondContact O-OG1 2.9Å; W219-L224 PolarHBondContact O-N 3.19Å
220	T	89.7	Confident	89.4	Confident	55 Å²	55	63.9 Å²	63.9	34%	0.337	32%	0.322	S	S	.	.	I	π-helix	trans	-63.1	-48.7	175.5	-64	0	0	0	0	111	I216 I217 L224 L225	I216-T220 VanDerWaalsContact O-CB 3.32Å; I216-T220 WeakPolarHBondContact O-CB 3.4Å; I216-T220 PolarHBondContact O-N 3.44Å; I216-T220 PolarHBondContact O-OG1 3.26Å; I217-T220 PolarHBondContact O-N 3.33Å; T220-L224 HydrophobicContact CG2-CD2 4.24Å; T220-L224 WeakPolarHBondContact O-CB 3.45Å; T220-L224 PolarHBondContact O-N 3.44Å; T220-L225 HydrophobicContact CG2-CD1 4.04Å; T220-L225 HydrophobicContact CG2-CG 4.1Å; T220-L225 PolarHBondContact O-N 3.45Å
221	V	86	Confident	89.2	Confident	15 Å²	15	61 Å²	61	9%	0.091	31%	0.309	C	S	.	.	I	π-helix	trans	-66.2	-46.2	-178.5	172.2	0	0	0	0	111.2	F199 I217 Q226 L227	F199-V221 HydrophobicContact CD2-CG2 3.98Å; F199-V221 HydrophobicContact CE2-CG1 4.26Å; F199-V221 HydrophobicContact CE2-CG2 4.05Å; I217-V221 HydrophobicContact CG2-CG2 4.2Å; I217-V221 WeakPolarHBondContact O-CB 3.39Å; I217-V221 VanDerWaalsContact O-CG2 3.27Å; I217-V221 WeakPolarHBondContact O-CG2 3.43Å; I217-V221 PolarHBondContact O-N 3.05Å; V221-Q226 PolarHBondContact O-N 3.37Å; V221-L227 HydrophobicContact CG1-CB 4.34Å; V221-L227 PolarHBondContact O-N 2.93Å; V221-L227 VanDerWaalsContact O-N 3.17Å
222	R	84.5	Confident	88.9	Confident	91 Å²	91	56.6 Å²	56.6	34%	0.343	29%	0.293	S	S	.	.	I	π-helix	trans	-75.5	-48.7	-176.1	-178.2	176.8	170.6	168.7	-2.1	113.4	M184 Q218	M184-R222 HydrophobicContact CE-CG 3.98Å; Q218-R222 WeakPolarHBondContact O-CB 3.36Å; Q218-R222 PolarHBondContact O-N 3.37Å
223	T	84.6	Confident	88.5	Confident	94 Å²	94	56.5 Å²	56.5	58%	0.577	29%	0.291	S	S	*	.	I	π-helix	trans	-96.9	-46	-168.3	-50.4	0	0	0	0	112.2	W219 Q226	W219-T223 WeakPolarHBondContact O-CA 3.47Å; W219-T223 WeakPolarHBondContact O-CB 3.3Å; W219-T223 PolarHBondContact O-N 3.28Å; W219-T223 PolarHBondContact O-OG1 2.9Å; T223-Q226 WeakPolarHBondContact O-CG 3.41Å
224	L	84.2	Confident	88.4	Confident	133 Å²	133	58.6 Å²	58.6	70%	0.696	30%	0.295	S	S	*	.	I	π-helix	trans	-81.8	-52.4	-175.5	-177.3	65.4	0	0	0	112	W219 T220	W219-L224 PolarHBondContact O-N 3.19Å; T220-L224 HydrophobicContact CG2-CD2 4.24Å; T220-L224 WeakPolarHBondContact O-CB 3.45Å; T220-L224 PolarHBondContact O-N 3.44Å
225	L	83.7	Confident	88.3	Confident	85 Å²	85	58.6 Å²	58.6	45%	0.445	30%	0.295	S	S	.	.	S	Bend	trans	-87.6	-21.5	-175.8	-58.5	179.6	0	0	0	113.1	T220 L227	T220-L225 HydrophobicContact CG2-CD1 4.04Å; T220-L225 HydrophobicContact CG2-CG 4.1Å; T220-L225 PolarHBondContact O-N 3.45Å; L225-L227 VanDerWaalsContact C-N 3.27Å; L225-L227 HydrophobicContact CB-CD1 3.89Å; L225-L227 HydrophobicContact CB-CG 3.8Å; L225-L227 HydrophobicContact CD1-CD1 3.93Å; L225-L227 PolarHBondContact O-N 3.44Å
226	Q	83	Confident	88	Confident	99 Å²	99	58 Å²	58	46%	0.463	29%	0.289	S	S	.	.			trans	47.3	48.7	-177.7	-57.7	-173.5	7.4	0	0	112.5	V221 T223 P228 I229 S230	V221-Q226 PolarHBondContact O-N 3.37Å; T223-Q226 WeakPolarHBondContact O-CG 3.41Å; Q226-P228 CarbonylContact O-C 3.52Å; Q226-I229 HydrophobicContact CB-CB 4.33Å; Q226-I229 WeakPolarHBondContact O-CA 3.21Å; Q226-I229 WeakPolarHBondContact O-CB 3.4Å; Q226-I229 PolarHBondContact O-N 3.42Å; Q226-S230 PolarHBondContact O-N 3.16Å
227	L	81.6	Confident	87.9	Confident	42 Å²	42	57.6 Å²	57.6	22%	0.22	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	133	-179.5	-64.1	170.3	0	0	0	110.4	L116 V221 L225	L116-L227 HydrophobicContact CD1-CD1 3.65Å; L116-L227 HydrophobicContact CD2-CD1 4.29Å; V221-L227 HydrophobicContact CG1-CB 4.34Å; V221-L227 PolarHBondContact O-N 2.93Å; V221-L227 VanDerWaalsContact O-N 3.17Å; L225-L227 VanDerWaalsContact C-N 3.27Å; L225-L227 HydrophobicContact CB-CD1 3.89Å; L225-L227 HydrophobicContact CB-CG 3.8Å; L225-L227 HydrophobicContact CD1-CD1 3.93Å; L225-L227 PolarHBondContact O-N 3.44Å
228	P	86.3	Confident	87.9	Confident	35 Å²	35	57 Å²	57	23%	0.227	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	cis	-91.6	8.3	-2.5	37	-33.2	0	0	0	114.3	F181 Q226 S230 T231 L232	F181-P228 HydrophobicContact CB-CG 4.36Å; F181-P228 HydrophobicContact CD1-CG 4.46Å; F181-P228 HydrophobicContact CG-CG 4.23Å; Q226-P228 CarbonylContact O-C 3.52Å; P228-S230 PolarHBondContact O-N 3.49Å; P228-S230 VanDerWaalsContact O-N 3.08Å; P228-T231 WeakPolarHBondContact O-CA 3.36Å; P228-T231 VanDerWaalsContact O-CB 3.3Å; P228-T231 WeakPolarHBondContact O-CB 3.38Å; P228-T231 PolarHBondContact O-N 3.44Å; P228-L232 HydrophobicContact CB-CD1 4.45Å; P228-L232 HydrophobicContact CB-CG 4.44Å; P228-L232 HydrophobicContact CG-CD1 3.99Å; P228-L232 WeakPolarHBondContact O-CG 3.47Å; P228-L232 PolarHBondContact O-N 3.41Å; P228-L232 VanDerWaalsContact O-N 3.08Å
229	I	87.5	Confident	87.9	Confident	19 Å²	19	56.8 Å²	56.8	10%	0.097	28%	0.282	C	S	.	.	H	α-helix	trans	-46.7	-44.2	-175.4	-61.1	167.4	0	0	0	112.4	F181 M184 Q226 T231 L232 H233 F251	F181-I229 HydrophobicContact CD2-CD1 4.35Å; F181-I229 HydrophobicContact CD2-CG1 3.69Å; F181-I229 HydrophobicContact CE2-CG1 3.79Å; M184-I229 HydrophobicContact CE-CD1 3.68Å; M184-I229 HydrophobicContact SD-CD1 3.8Å; Q226-I229 HydrophobicContact CB-CB 4.33Å; Q226-I229 WeakPolarHBondContact O-CA 3.21Å; Q226-I229 WeakPolarHBondContact O-CB 3.4Å; Q226-I229 PolarHBondContact O-N 3.42Å; I229-T231 VanDerWaalsContact C-N 3.32Å; I229-T231 PolarHBondContact O-N 3.48Å; I229-L232 PolarHBondContact O-N 2.86Å; I229-H233 PolarHBondContact O-N 2.82Å; I229-F251 HydrophobicContact CD1-CZ 4.22Å; I229-F251 HydrophobicContact CG2-CE2 4.38Å; I229-F251 HydrophobicContact CG2-CZ 4.02Å
230	S	87	Confident	87.9	Confident	45 Å²	45	53.6 Å²	53.6	32%	0.315	27%	0.27	S	S	.	.	H	α-helix	trans	-60.4	-37.6	177.9	59.8	0	0	0	0	113.6	Q226 P228 K234	Q226-S230 PolarHBondContact O-N 3.16Å; P228-S230 PolarHBondContact O-N 3.49Å; P228-S230 VanDerWaalsContact O-N 3.08Å; S230-K234 WeakPolarHBondContact O-CG 3.21Å; S230-K234 PolarHBondContact O-N 3.4Å
231	T	90.1	Very high	87.9	Confident	13 Å²	13	59.5 Å²	59.5	8%	0.08	29%	0.286	C	S	.	.	H	α-helix	trans	-68.7	-43.5	174.5	-68.6	0	0	0	0	110.9	H120 M123 P228 I229 H233 K234 Q235	H120-T231 HydrophobicContact CB-CG2 4.43Å; H120-T231 WeakPolarHBondContact ND1-CB 3.34Å; H120-T231 WeakPolarHBondContact ND1-CG2 3.25Å; H120-T231 PolarHBondContact ND1-OG1 2.85Å; M123-T231 HydrophobicContact CB-CG2 4.49Å; M123-T231 HydrophobicContact CE-CG2 3.88Å; M123-T231 HydrophobicContact SD-CG2 4.01Å; P228-T231 WeakPolarHBondContact O-CA 3.36Å; P228-T231 VanDerWaalsContact O-CB 3.3Å; P228-T231 WeakPolarHBondContact O-CB 3.38Å; P228-T231 PolarHBondContact O-N 3.44Å; I229-T231 VanDerWaalsContact C-N 3.32Å; I229-T231 PolarHBondContact O-N 3.48Å; T231-H233 VanDerWaalsContact C-N 3.33Å; T231-H233 PolarHBondContact O-N 2.86Å; T231-K234 WeakPolarHBondContact O-CB 3.24Å; T231-K234 PolarHBondContact O-N 3.33Å; T231-Q235 PolarHBondContact O-N 2.94Å
232	L	90.2	Very high	88.1	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-69.5	-33.6	-176.4	-56.7	175.1	0	0	0	112	M123 I153 T155 F181 P228 I229 Q235 M236 I250	M123-L232 HydrophobicContact CE-CD2 3.52Å; I153-L232 WeakPolarHBondContact O-CD2 3.42Å; T155-L232 HydrophobicContact CG2-CD1 4.27Å; T155-L232 HydrophobicContact CG2-CD2 4.21Å; F181-L232 HydrophobicContact CD1-CD1 4.41Å; F181-L232 HydrophobicContact CE1-CD1 3.77Å; F181-L232 HydrophobicContact CE2-CD1 4.03Å; F181-L232 HydrophobicContact CZ-CD1 3.57Å; P228-L232 HydrophobicContact CB-CD1 4.45Å; P228-L232 HydrophobicContact CB-CG 4.44Å; P228-L232 HydrophobicContact CG-CD1 3.99Å; P228-L232 WeakPolarHBondContact O-CG 3.47Å; P228-L232 PolarHBondContact O-N 3.41Å; P228-L232 VanDerWaalsContact O-N 3.08Å; I229-L232 PolarHBondContact O-N 2.86Å; L232-Q235 WeakPolarHBondContact O-CB 3.19Å; L232-Q235 PolarHBondContact O-N 3.41Å; L232-M236 WeakPolarHBondContact O-CG 3.25Å; L232-M236 PolarHBondContact O-N 3.35Å; L232-I250 HydrophobicContact CB-CD1 3.22Å; L232-I250 HydrophobicContact CD1-CD1 3.24Å; L232-I250 HydrophobicContact CG-CD1 3.77Å
233	H	89.7	Confident	88	Confident	98 Å²	98	59.5 Å²	59.5	45%	0.454	29%	0.293	S	S	.	.	H	α-helix	trans	-61	-45.7	171.8	-164.8	85.5	0	0	0	112	I229 T231 Q235 M236 E237	I229-H233 PolarHBondContact O-N 2.82Å; T231-H233 VanDerWaalsContact C-N 3.33Å; T231-H233 PolarHBondContact O-N 2.86Å; H233-Q235 VanDerWaalsContact C-N 3.27Å; H233-Q235 PolarHBondContact O-N 3.49Å; H233-M236 PolarHBondContact O-N 3.13Å; H233-E237 PolarHBondContact O-N 2.81Å
234	K	91.7	Very high	87.8	Confident	107 Å²	107	62.5 Å²	62.5	47%	0.465	31%	0.306	S	S	.	.	H	α-helix	trans	-62.1	-35.7	175.3	-70.2	174.5	176.3	-177.8	0	112.1	M124 S230 T231 E237 L238	M124-K234 HydrophobicContact CE-CB 4.14Å; M124-K234 HydrophobicContact SD-CB 4.25Å; S230-K234 WeakPolarHBondContact O-CG 3.21Å; S230-K234 PolarHBondContact O-N 3.4Å; T231-K234 WeakPolarHBondContact O-CB 3.24Å; T231-K234 PolarHBondContact O-N 3.33Å; K234-E237 PolarHBondContact O-N 2.83Å; K234-L238 WeakPolarHBondContact O-CB 3.31Å; K234-L238 PolarHBondContact O-N 3.26Å
235	Q	91.5	Very high	87.5	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.1	-42.3	175.7	-169.1	177.4	60.6	0	0	111.7	M124 C127 D154 T155 C156 T231 L232 H233 L238 L239	M124-Q235 HydrophobicContact SD-CB 4Å; C127-Q235 HydrophobicContact CB-CG 4Å; C127-Q235 VanDerWaalsContact SG-CG 3.54Å; D154-Q235 PolarHBondContact OD1-NE2 3.47Å; D154-Q235 PolarHBondContact OD1-OE1 2.98Å; T155-Q235 PolarHBondContact OG1-OE1 2.91Å; C156-Q235 HydrophobicContact CB-CG 4.25Å; T231-Q235 PolarHBondContact O-N 2.94Å; L232-Q235 WeakPolarHBondContact O-CB 3.19Å; L232-Q235 PolarHBondContact O-N 3.41Å; H233-Q235 VanDerWaalsContact C-N 3.27Å; H233-Q235 PolarHBondContact O-N 3.49Å; Q235-L238 WeakPolarHBondContact O-CB 3.38Å; Q235-L238 PolarHBondContact O-N 3.46Å; Q235-L239 WeakPolarHBondContact O-CG 3.15Å; Q235-L239 PolarHBondContact O-N 3.23Å
236	M	90.3	Very high	87.3	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.1	-40.9	175.2	-65	-54.7	95.8	0	0	112	T155 L232 H233 L238 L239 R240 V247 I253	T155-M236 WeakPolarHBondContact O-CE 3.18Å; T155-M236 WeakPolarHBondContact OG1-CE 3.31Å; L232-M236 WeakPolarHBondContact O-CG 3.25Å; L232-M236 PolarHBondContact O-N 3.35Å; H233-M236 PolarHBondContact O-N 3.13Å; M236-L238 VanDerWaalsContact C-N 3.34Å; M236-L238 PolarHBondContact O-N 2.98Å; M236-L239 HydrophobicContact CE-CD1 3.65Å; M236-L239 PolarHBondContact O-N 2.77Å; M236-L239 HydrophobicContact SD-CD1 4.42Å; M236-R240 WeakPolarHBondContact O-CG 3.4Å; M236-R240 PolarHBondContact O-N 3.5Å; M236-V247 HydrophobicContact SD-CG1 3.56Å; M236-V247 VanDerWaalsContact SD-CG1 3.56Å; M236-I253 HydrophobicContact CE-CD1 4.21Å; M236-I253 HydrophobicContact CG-CD1 4.43Å; M236-I253 HydrophobicContact SD-CD1 3.26Å; M236-I253 WeakPolarHBondContact SD-CD1 3.09Å
237	E	91.3	Very high	87.3	Confident	75 Å²	75	57 Å²	57	35%	0.35	29%	0.29	S	S	.	.	H	α-helix	trans	-61.1	-42.9	174.4	-173.3	179.6	-172	0	0	112.1	H233 K234 L239 R240 R241	H233-E237 PolarHBondContact O-N 2.81Å; K234-E237 PolarHBondContact O-N 2.83Å; E237-L239 VanDerWaalsContact C-N 3.34Å; E237-L239 PolarHBondContact O-N 3.28Å; E237-R240 PolarHBondContact O-N 2.8Å; E237-R241 WeakPolarHBondContact O-CG 3.46Å; E237-R241 PolarHBondContact O-N 2.95Å; E237-R241 IonicContact OE1-CZ 2.98Å; E237-R241 IonicContact OE1-NE 3.34Å; E237-R241 IonicContact OE1-NH2 2.81Å; E237-R241 PolarHBondContact OE1-NH2 3.47Å
238	L	92.1	Very high	87.3	Confident	37 Å²	37	56.4 Å²	56.4	19%	0.194	29%	0.289	C	S	.	.	H	α-helix	trans	-58.3	-46.6	174	176	67.6	0	0	0	111.2	M124 C127 K234 Q235 M236 R240 R241 L242	M124-L238 HydrophobicContact CE-CB 3.83Å; M124-L238 HydrophobicContact CE-CD2 3.74Å; M124-L238 HydrophobicContact CE-CG 4.34Å; C127-L238 HydrophobicContact CB-CD2 4.47Å; K234-L238 WeakPolarHBondContact O-CB 3.31Å; K234-L238 PolarHBondContact O-N 3.26Å; Q235-L238 WeakPolarHBondContact O-CB 3.38Å; Q235-L238 PolarHBondContact O-N 3.46Å; M236-L238 VanDerWaalsContact C-N 3.34Å; M236-L238 PolarHBondContact O-N 2.98Å; L238-R240 PolarHBondContact O-N 3.48Å; L238-R241 PolarHBondContact O-N 3.01Å; L238-L242 HydrophobicContact CD1-CD1 3.76Å; L238-L242 HydrophobicContact CD1-CG 3.96Å; L238-L242 HydrophobicContact CD2-CD1 4.36Å; L238-L242 HydrophobicContact CG-CD1 3.83Å; L238-L242 HydrophobicContact CG-CG 4.31Å; L238-L242 WeakPolarHBondContact O-CG 3.43Å; L238-L242 PolarHBondContact O-N 3.11Å
239	L	90.1	Very high	87.2	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.6	-41.5	179.9	-73.6	179	0	0	0	112.8	C127 A131 C156 L160 Q235 M236 E237 R241 L242 T243 V247	C127-L239 VanDerWaalsContact SG-CD2 3.57Å; A131-L239 HydrophobicContact CB-CD2 3.86Å; C156-L239 VanDerWaalsContact O-CD1 3.26Å; C156-L239 WeakPolarHBondContact O-CD1 3.13Å; L160-L239 HydrophobicContact CD1-CD2 4.45Å; L160-L239 HydrophobicContact CD2-CD2 3.71Å; L160-L239 HydrophobicContact CG-CD1 4.49Å; L160-L239 HydrophobicContact CG-CD2 3.93Å; Q235-L239 WeakPolarHBondContact O-CG 3.15Å; Q235-L239 PolarHBondContact O-N 3.23Å; M236-L239 HydrophobicContact CE-CD1 3.65Å; M236-L239 PolarHBondContact O-N 2.77Å; M236-L239 HydrophobicContact SD-CD1 4.42Å; E237-L239 VanDerWaalsContact C-N 3.34Å; E237-L239 PolarHBondContact O-N 3.28Å; L239-R241 VanDerWaalsContact C-N 3.25Å; L239-R241 PolarHBondContact O-N 3.06Å; L239-L242 PolarHBondContact O-N 2.95Å; L239-T243 WeakPolarHBondContact O-CB 2.94Å; L239-T243 WeakPolarHBondContact O-CG2 3.43Å; L239-T243 PolarHBondContact O-N 3.11Å; L239-T243 PolarHBondContact O-OG1 2.85Å; L239-V247 HydrophobicContact CB-CG2 4.02Å
240	R	90.1	Very high	86.9	Confident	82 Å²	82	56.4 Å²	56.4	31%	0.309	29%	0.288	S	S	.	.	H	α-helix	trans	-55.9	-44.1	174.2	-69.1	175.9	-168.3	130.4	7.2	111.2	M236 E237 L238 N244 V247 P248	M236-R240 WeakPolarHBondContact O-CG 3.4Å; M236-R240 PolarHBondContact O-N 3.5Å; E237-R240 PolarHBondContact O-N 2.8Å; L238-R240 PolarHBondContact O-N 3.48Å; R240-N244 WeakPolarHBondContact O-CA 3.37Å; R240-N244 PolarHBondContact O-N 2.91Å; R240-V247 HydrophobicContact CG-CB 3.77Å; R240-V247 HydrophobicContact CG-CG2 4.12Å; R240-V247 VanDerWaalsContact CZ-O 3.24Å; R240-V247 PolarHBondContact NE-O 3.28Å; R240-V247 PolarHBondContact NH2-O 3.18Å; R240-P248 PolarHBondContact NH2-O 3.36Å
241	R	90.8	Very high	86.5	Confident	180 Å²	180	58.5 Å²	58.5	68%	0.679	29%	0.291	S	S	*	.	H	α-helix	trans	-67.2	-44.2	179.5	-66.5	174.3	-172.5	-165.9	2.5	112.4	E237 L238 L239	E237-R241 WeakPolarHBondContact O-CG 3.46Å; E237-R241 PolarHBondContact O-N 2.95Å; E237-R241 IonicContact OE1-CZ 2.98Å; E237-R241 IonicContact OE1-NE 3.34Å; E237-R241 IonicContact OE1-NH2 2.81Å; E237-R241 PolarHBondContact OE1-NH2 3.47Å; L238-R241 PolarHBondContact O-N 3.01Å; L239-R241 VanDerWaalsContact C-N 3.25Å; L239-R241 PolarHBondContact O-N 3.06Å
242	L	89.2	Confident	85.9	Confident	65 Å²	65	63 Å²	63	34%	0.34	31%	0.311	S	S	.	.	H	α-helix	trans	-77.5	-32.3	-175.8	-67.9	-179.4	0	0	0	113.6	A131 L238 L239	A131-L242 HydrophobicContact CB-CB 4.35Å; A131-L242 HydrophobicContact CB-CD1 3.81Å; L238-L242 HydrophobicContact CD1-CD1 3.76Å; L238-L242 HydrophobicContact CD1-CG 3.96Å; L238-L242 HydrophobicContact CD2-CD1 4.36Å; L238-L242 HydrophobicContact CG-CD1 3.83Å; L238-L242 HydrophobicContact CG-CG 4.31Å; L238-L242 WeakPolarHBondContact O-CG 3.43Å; L238-L242 PolarHBondContact O-N 3.11Å; L239-L242 PolarHBondContact O-N 2.95Å
243	T	82.8	Confident	85.3	Confident	40 Å²	40	63.5 Å²	63.5	25%	0.245	31%	0.314	C	S	.	.	H	α-helix	trans	-100.5	-9.1	-175.4	64.9	0	0	0	0	113.6	L160 L239 S245	L160-T243 HydrophobicContact CD2-CG2 3.82Å; L239-T243 WeakPolarHBondContact O-CB 2.94Å; L239-T243 WeakPolarHBondContact O-CG2 3.43Å; L239-T243 PolarHBondContact O-N 3.11Å; L239-T243 PolarHBondContact O-OG1 2.85Å; T243-S245 PolarHBondContact O-N 3.25Å; T243-S245 PolarHBondContact OG1-OG 2.84Å
244	N	81	Confident	84.5	Confident	158 Å²	158	59 Å²	59	85%	0.845	29%	0.293	S	S	*	.			trans	51.4	35.9	-173.9	-161.5	35.8	0	0	0	112.8	R240	R240-N244 WeakPolarHBondContact O-CA 3.37Å; R240-N244 PolarHBondContact O-N 2.91Å
245	S	78.1	Confident	83.9	Confident	56 Å²	56	58.5 Å²	58.5	39%	0.392	29%	0.291	S	S	.	.	S	Bend	trans	-120.9	157.7	-176.2	73.3	0	0	0	0	111.6	T243 V247	T243-S245 PolarHBondContact O-N 3.25Å; T243-S245 PolarHBondContact OG1-OG 2.84Å; S245-V247 VanDerWaalsContact C-N 3.3Å; S245-V247 PolarHBondContact O-N 2.98Å; S245-V247 WeakPolarHBondContact OG-CG2 3.49Å
246	T	80	Confident	83.7	Confident	138 Å²	138	58.7 Å²	58.7	85%	0.847	29%	0.292	S	S	*	.			trans	-79.1	78.5	173.5	52.6	0	0	0	0	109.8	P248	T246-P248 WeakPolarHBondContact O-CD 3.39Å
247	V	83	Confident	83.6	Confident	6 Å²	6	58.9 Å²	58.9	4%	0.036	29%	0.294	C	S	.	.			trans	-72.9	120	172.1	-177.1	0	0	0	0	108.9	M236 L239 R240 S245	M236-V247 HydrophobicContact SD-CG1 3.56Å; M236-V247 VanDerWaalsContact SD-CG1 3.56Å; L239-V247 HydrophobicContact CB-CG2 4.02Å; R240-V247 HydrophobicContact CG-CB 3.77Å; R240-V247 HydrophobicContact CG-CG2 4.12Å; R240-V247 VanDerWaalsContact CZ-O 3.24Å; R240-V247 PolarHBondContact NE-O 3.28Å; R240-V247 PolarHBondContact NH2-O 3.18Å; S245-V247 VanDerWaalsContact C-N 3.3Å; S245-V247 PolarHBondContact O-N 2.98Å; S245-V247 WeakPolarHBondContact OG-CG2 3.49Å
248	P	81	Confident	83.5	Confident	30 Å²	30	55.3 Å²	55.3	20%	0.195	28%	0.277	C	S	.	.			trans	-72.8	178.7	-175.8	-26.4	44	0	0	0	112.4	Q163 R240 T246 E252 I253	Q163-P248 HydrophobicContact CG-CG 4.17Å; Q163-P248 VanDerWaalsContact NE2-CG 3.34Å; R240-P248 PolarHBondContact NH2-O 3.36Å; T246-P248 WeakPolarHBondContact O-CD 3.39Å; P248-E252 HydrophobicContact CB-CB 4.21Å; P248-E252 WeakPolarHBondContact CB-OE2 2.74Å; P248-I253 HydrophobicContact CB-CG2 3.85Å; P248-I253 HydrophobicContact CG-CG2 4.44Å
249	N	83.1	Confident	83.5	Confident	53 Å²	53	53.6 Å²	53.6	28%	0.283	27%	0.268	S	S	.	.			trans	-74.3	156.7	-175.9	107.3	47.8	0	0	0	110.8	F251 E252 I253	N249-F251 VanDerWaalsContact C-N 3.31Å; N249-F251 PolarHBondContact O-N 3.3Å; N249-F251 WeakPolarHBondContact OD1-CA 3.07Å; N249-F251 WeakPolarHBondContact OD1-CB 3.47Å; N249-F251 WeakPolarHBondContact OD1-CD2 3.25Å; N249-F251 PolarHBondContact OD1-N 3.2Å; N249-E252 PolarHBondContact N-OE2 2.81Å; N249-E252 PolarHBondContact ND2-OE1 3.34Å; N249-E252 WeakPolarHBondContact O-CA 3.36Å; N249-E252 WeakPolarHBondContact O-CB 3.32Å; N249-E252 PolarHBondContact O-N 3.11Å; N249-I253 VanDerWaalsContact O-CG2 3.26Å; N249-I253 WeakPolarHBondContact O-CG2 3.29Å; N249-I253 PolarHBondContact O-N 3.36Å; N249-I253 VanDerWaalsContact O-N 3.13Å
250	I	81.7	Confident	83.7	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-52	-43.9	-177.9	178.1	151.6	0	0	0	114.8	T155 F181 L232 E252 I253 A254	T155-I250 HydrophobicContact CG2-CD1 3.51Å; T155-I250 HydrophobicContact CG2-CG1 4.13Å; F181-I250 HydrophobicContact CE2-CD1 4.31Å; F181-I250 HydrophobicContact CZ-CD1 3.74Å; F181-I250 HydrophobicContact CZ-CG1 4.3Å; L232-I250 HydrophobicContact CB-CD1 3.22Å; L232-I250 HydrophobicContact CD1-CD1 3.24Å; L232-I250 HydrophobicContact CG-CD1 3.77Å; I250-E252 PolarHBondContact O-N 3.33Å; I250-I253 PolarHBondContact O-N 2.91Å; I250-A254 HydrophobicContact CG1-CB 3.99Å; I250-A254 VanDerWaalsContact O-CB 3.29Å; I250-A254 WeakPolarHBondContact O-CB 3.46Å; I250-A254 PolarHBondContact O-N 2.73Å
251	F	78.7	Confident	83.9	Confident	88 Å²	88	49.8 Å²	49.8	39%	0.386	25%	0.253	S	S	.	.	H	α-helix	trans	-68.9	-16.3	179.9	-58.8	-73.1	0	0	0	113.1	M184 L185 I229 N249 K255	M184-F251 HydrophobicContact SD-CE1 4.04Å; L185-F251 HydrophobicContact CD2-CD1 4.37Å; I229-F251 HydrophobicContact CD1-CZ 4.22Å; I229-F251 HydrophobicContact CG2-CE2 4.38Å; I229-F251 HydrophobicContact CG2-CZ 4.02Å; N249-F251 VanDerWaalsContact C-N 3.31Å; N249-F251 PolarHBondContact O-N 3.3Å; N249-F251 WeakPolarHBondContact OD1-CA 3.07Å; N249-F251 WeakPolarHBondContact OD1-CB 3.47Å; N249-F251 WeakPolarHBondContact OD1-CD2 3.25Å; N249-F251 PolarHBondContact OD1-N 3.2Å; F251-K255 WeakPolarHBondContact O-CE 3.48Å
252	E	78	Confident	84	Confident	108 Å²	108	41.2 Å²	41.2	51%	0.505	22%	0.221	S	C	.	.	H	α-helix	trans	-86.4	-37.8	173.6	-67.2	160.1	-170.3	0	0	111.1	P248 N249 I250	P248-E252 HydrophobicContact CB-CB 4.21Å; P248-E252 WeakPolarHBondContact CB-OE2 2.74Å; N249-E252 PolarHBondContact N-OE2 2.81Å; N249-E252 PolarHBondContact ND2-OE1 3.34Å; N249-E252 WeakPolarHBondContact O-CA 3.36Å; N249-E252 WeakPolarHBondContact O-CB 3.32Å; N249-E252 PolarHBondContact O-N 3.11Å; I250-E252 PolarHBondContact O-N 3.33Å
253	I	76.6	Confident	84	Confident	11 Å²	11	38.1 Å²	38.1	6%	0.056	21%	0.205	C	C	.	.	H	α-helix	trans	-91.2	-36.4	-171.9	84.6	-177.8	0	0	0	112.7	F158 I169 M236 P248 N249 I250 K255	F158-I253 HydrophobicContact CB-CB 4.35Å; F158-I253 HydrophobicContact CB-CD1 3.63Å; F158-I253 HydrophobicContact CB-CG1 3.82Å; F158-I253 HydrophobicContact CD2-CG1 4.41Å; I169-I253 WeakPolarHBondContact CD1-O 3.44Å; M236-I253 HydrophobicContact CE-CD1 4.21Å; M236-I253 HydrophobicContact CG-CD1 4.43Å; M236-I253 HydrophobicContact SD-CD1 3.26Å; M236-I253 WeakPolarHBondContact SD-CD1 3.09Å; P248-I253 HydrophobicContact CB-CG2 3.85Å; P248-I253 HydrophobicContact CG-CG2 4.44Å; N249-I253 VanDerWaalsContact O-CG2 3.26Å; N249-I253 WeakPolarHBondContact O-CG2 3.29Å; N249-I253 PolarHBondContact O-N 3.36Å; N249-I253 VanDerWaalsContact O-N 3.13Å; I250-I253 PolarHBondContact O-N 2.91Å; I253-K255 VanDerWaalsContact C-N 3.32Å; I253-K255 PolarHBondContact O-N 2.75Å
254	A	73.1	Confident	84.4	Confident	2 Å²	2	36.7 Å²	36.7	2%	0.017	20%	0.196	C	C	.	.			trans	-98.3	47.8	-169.6	0	0	0	0	0	111	T155 F158 L185 I250 P256	T155-A254 HydrophobicContact CG2-CB 4Å; F158-A254 HydrophobicContact CD2-CB 4.01Å; F158-A254 HydrophobicContact CE2-CB 4.02Å; L185-A254 WeakPolarHBondContact CD1-O 3.4Å; I250-A254 HydrophobicContact CG1-CB 3.99Å; I250-A254 VanDerWaalsContact O-CB 3.29Å; I250-A254 WeakPolarHBondContact O-CB 3.46Å; I250-A254 PolarHBondContact O-N 2.73Å; A254-P256 WeakPolarHBondContact O-CD 3.38Å
255	K	80.3	Confident	84.9	Confident	98 Å²	98	34.4 Å²	34.4	43%	0.426	18%	0.18	S	C	.	.			trans	-90.1	105.3	175.3	-70	-175.8	-175.5	175.8	0	109.5	F251 I253	F251-K255 WeakPolarHBondContact O-CE 3.48Å; I253-K255 VanDerWaalsContact C-N 3.32Å; I253-K255 PolarHBondContact O-N 2.75Å
256	P	87.1	Confident	85.6	Confident	4 Å²	4	37.4 Å²	37.4	3%	0.026	19%	0.186	C	C	.	.			trans	-74.6	135.2	-176	-20.2	39.5	0	0	0	110.5	I169 C171 M182 L185 M186 A254 G258	I169-P256 CarbonylContact O-C 3.46Å; I169-P256 WeakPolarHBondContact O-CA 3.47Å; C171-P256 WeakPolarHBondContact SG-CB 3.43Å; C171-P256 WeakPolarHBondContact SG-CG 3.43Å; M182-P256 HydrophobicContact CE-CB 4.17Å; M182-P256 HydrophobicContact CE-CG 3.59Å; L185-P256 HydrophobicContact CB-CG 4.25Å; L185-P256 HydrophobicContact CD1-CG 4.13Å; M186-P256 HydrophobicContact CG-CB 4.3Å; M186-P256 HydrophobicContact CG-CG 4.36Å; M186-P256 HydrophobicContact SD-CB 4.45Å; A254-P256 WeakPolarHBondContact O-CD 3.38Å; P256-G258 VanDerWaalsContact C-N 3.28Å
257	D	86.7	Confident	86.4	Confident	4 Å²	4	30.9 Å²	30.9	2%	0.021	15%	0.146	C	C	.	.	S	Bend	trans	-79.7	-14.1	169.7	-71.9	-77.8	0	0	0	112.3	S168 I169 I170 R480 K483	S168-D257 WeakPolarHBondContact CA-OD2 3.24Å; I169-D257 PolarHBondContact N-OD2 3.16Å; I169-D257 WeakPolarHBondContact O-CB 3.28Å; I169-D257 PolarHBondContact O-N 3.11Å; I170-D257 HydrophobicContact CD1-CB 4.02Å; D257-R480 WeakPolarHBondContact OD1-CG 3.47Å; D257-R480 IonicContact OD1-NE 3.66Å; D257-R480 PolarHBondContact OD1-NE 3.05Å; D257-R480 VanDerWaalsContact OD1-NE 3.08Å; D257-R480 IonicContact OD2-CZ 3.83Å; D257-R480 IonicContact OD2-NE 2.66Å; D257-R480 PolarHBondContact OD2-NE 3.14Å; D257-R480 VanDerWaalsContact OD2-NE 3.13Å; D257-R480 IonicContact OD2-NH2 3.55Å; D257-R480 PolarHBondContact OD2-NH2 3.3Å; D257-K483 IonicContact OD1-NZ 2.97Å; D257-K483 PolarHBondContact OD1-NZ 3.21Å
258	G	90.3	Very high	86.8	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.1	172.3	176.5	0	0	0	0	0	112.8	C171 P256 D276	C171-G258 PolarHBondContact N-O 3.38Å; P256-G258 VanDerWaalsContact C-N 3.28Å; G258-D276 CarbonylContact C-O 3.54Å; G258-D276 VanDerWaalsContact CA-O 3.25Å; G258-D276 WeakPolarHBondContact CA-O 3.11Å
259	L	92.5	Very high	87.3	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	124.7	178.4	173.9	64.8	0	0	0	110.4	C171 V178 M182 M186 I188 M261 D276 I277 T278	C171-L259 HydrophobicContact CB-CD1 3.78Å; C171-L259 CarbonylContact O-C 3.55Å; C171-L259 WeakPolarHBondContact O-CA 3.35Å; V178-L259 HydrophobicContact CG2-CD2 4.1Å; M182-L259 HydrophobicContact CG-CD1 4.2Å; M182-L259 HydrophobicContact CG-CD2 3.86Å; M182-L259 HydrophobicContact SD-CD1 4.02Å; M186-L259 HydrophobicContact CE-CB 4.06Å; M186-L259 HydrophobicContact SD-CB 3.68Å; M186-L259 HydrophobicContact SD-CD2 4.39Å; I188-L259 HydrophobicContact CD1-CD2 4.46Å; L259-M261 HydrophobicContact CD2-CG 4.18Å; L259-M261 HydrophobicContact CG-CG 4.14Å; L259-D276 PolarHBondContact N-O 2.98Å; L259-I277 HydrophobicContact CB-CG1 4.25Å; L259-I277 HydrophobicContact CB-CG2 4.45Å; L259-I277 HydrophobicContact CD2-CD1 4.47Å; L259-I277 HydrophobicContact CD2-CG1 4.49Å; L259-I277 HydrophobicContact CD2-CG2 4.21Å; L259-I277 HydrophobicContact CG-CG2 4.38Å; L259-I277 CarbonylContact O-C 3.59Å; L259-I277 VanDerWaalsContact O-CA 3.31Å; L259-I277 WeakPolarHBondContact O-CA 3.45Å; L259-T278 PolarHBondContact O-N 2.85Å
260	I	94.7	Very high	87.7	Confident	1 Å²	1	32 Å²	32	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	115.9	170.1	-53.8	179.2	0	0	0	108.6	F46 M149 I170 C171 L172 S173 T278 M280 T468 L472 M475	F46-I260 HydrophobicContact CE1-CD1 4.26Å; F46-I260 HydrophobicContact CE1-CG2 4.12Å; F46-I260 HydrophobicContact CZ-CG2 3.72Å; M149-I260 HydrophobicContact CE-CD1 3.92Å; I170-I260 HydrophobicContact CG2-CD1 3.78Å; I170-I260 HydrophobicContact CG2-CG1 3.76Å; C171-I260 PolarHBondContact O-N 3.01Å; L172-I260 CarbonylContact C-O 3.56Å; L172-I260 WeakPolarHBondContact CA-O 3.33Å; L172-I260 HydrophobicContact CD2-CB 3.82Å; L172-I260 HydrophobicContact CD2-CD1 4.28Å; L172-I260 HydrophobicContact CD2-CG1 4.39Å; S173-I260 PolarHBondContact N-O 3.4Å; I260-T278 CarbonylContact C-O 3.59Å; I260-T278 WeakPolarHBondContact CA-O 3.45Å; I260-T278 HydrophobicContact CB-CG2 4.23Å; I260-T278 HydrophobicContact CG1-CG2 3.77Å; I260-T278 HydrophobicContact CG2-CG2 4.1Å; I260-M280 HydrophobicContact CG2-CB 3.8Å; I260-T468 HydrophobicContact CD1-CG2 4.3Å; I260-T468 HydrophobicContact CG2-CG2 4.11Å; I260-L472 HydrophobicContact CD1-CD1 4.37Å; I260-M475 HydrophobicContact CD1-CE 4.15Å; I260-M475 HydrophobicContact CG1-CE 3.95Å
261	M	93.6	Very high	88.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	125.8	176.6	-63.3	-173.7	59.6	0	0	110.3	V178 L259 G263 M273 I277 T278 Y279 M280	V178-M261 HydrophobicContact CG2-CE 4.19Å; V178-M261 HydrophobicContact CG2-SD 4.07Å; L259-M261 HydrophobicContact CD2-CG 4.18Å; L259-M261 HydrophobicContact CG-CG 4.14Å; M261-G263 PolarHBondContact O-N 2.92Å; M261-M273 HydrophobicContact SD-SD 4.45Å; M261-I277 HydrophobicContact CG-CG2 4.09Å; M261-I277 HydrophobicContact SD-CG2 3.85Å; M261-T278 PolarHBondContact N-O 2.7Å; M261-Y279 HydrophobicContact CB-CD1 3.88Å; M261-Y279 HydrophobicContact CB-CE1 4.09Å; M261-Y279 HydrophobicContact CB-CG 4.4Å; M261-Y279 HydrophobicContact CE-CD1 4.44Å; M261-Y279 HydrophobicContact CE-CE1 3.57Å; M261-Y279 HydrophobicContact CG-CE1 4.46Å; M261-Y279 HydrophobicContact SD-CD1 4.33Å; M261-Y279 HydrophobicContact SD-CE1 3.63Å; M261-Y279 HydrophobicContact SD-CE2 4.19Å; M261-Y279 VanDerWaalsContact SD-CZ 3.54Å; M261-M280 WeakPolarHBondContact O-CG 3.43Å; M261-M280 PolarHBondContact O-N 2.95Å
262	N	91.8	Very high	88.5	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.159	C	C	.	.	S	Bend	trans	-65.4	99.2	166.9	-175.5	27.5	0	0	0	108.5	F42 S173 A174 G175 N176 M280 Y385 N386	F42-N262 HydrophobicContact CD2-CB 4.25Å; F42-N262 HydrophobicContact CE2-CB 3.54Å; F42-N262 HydrophobicContact CZ-CB 4.31Å; S173-N262 WeakPolarHBondContact O-CB 3.29Å; S173-N262 PolarHBondContact O-N 3.48Å; A174-N262 PolarHBondContact O-ND2 3.4Å; G175-N262 CarbonylContact C-O 3.56Å; G175-N262 WeakPolarHBondContact CA-O 3.31Å; N176-N262 PolarHBondContact N-O 2.92Å; N262-M280 HydrophobicContact CB-SD 4.14Å; N262-Y385 WeakPolarHBondContact O-CD1 3.28Å; N262-Y385 WeakPolarHBondContact O-CE1 3.25Å; N262-Y385 VanDerWaalsContact O-CZ 3.31Å; N262-N386 PolarHBondContact ND2-OD1 2.82Å
263	G	90.1	Very high	88.9	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	152.2	-171.6	-178.5	0	0	0	0	0	117.2	M261 Y279 G281 Y385	M261-G263 PolarHBondContact O-N 2.92Å; G263-Y279 WeakPolarHBondContact O-CB 3.09Å; G263-G281 WeakPolarHBondContact O-CA 3.41Å; G263-G281 PolarHBondContact O-N 3.28Å; G263-Y385 WeakPolarHBondContact CA-OH 3.43Å
264	E	91.6	Very high	89.3	Confident	10 Å²	10	30.7 Å²	30.7	5%	0.047	15%	0.154	C	C	.	.			trans	-118.2	132.5	-179.6	-69.2	-70.5	174.3	0	0	109.7	N176 F266 I267 G281 Y385 L389 L457 K460 N464	N176-E264 PolarHBondContact ND2-O 3.48Å; E264-F266 VanDerWaalsContact C-N 3.26Å; E264-F266 PolarHBondContact O-N 3.5Å; E264-I267 HydrophobicContact CB-CB 4.47Å; E264-I267 HydrophobicContact CB-CD1 3.85Å; E264-I267 HydrophobicContact CB-CG1 3.97Å; E264-I267 HydrophobicContact CG-CD1 4.25Å; E264-I267 PolarHBondContact O-N 3.25Å; E264-G281 VanDerWaalsContact OE1-CA 3.22Å; E264-G281 WeakPolarHBondContact OE1-CA 3.4Å; E264-Y385 PolarHBondContact N-OH 3.45Å; E264-L389 HydrophobicContact CB-CD1 4.46Å; E264-L389 HydrophobicContact CG-CD1 3.58Å; E264-L457 HydrophobicContact CB-CD2 4.13Å; E264-L457 HydrophobicContact CG-CD1 4.41Å; E264-L457 HydrophobicContact CG-CD2 4.49Å; E264-K460 IonicContact OE1-NZ 3.93Å; E264-K460 PolarHBondContact OE1-NZ 3.21Å; E264-K460 IonicContact OE2-NZ 2.75Å; E264-K460 PolarHBondContact OE2-NZ 2.7Å; E264-N464 PolarHBondContact OE1-ND2 3.35Å
265	Q	91.7	Very high	89.9	Confident	109 Å²	109	39.7 Å²	39.7	51%	0.509	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-53.4	-43.7	-175.1	-176.6	178.5	1.6	0	0	112.5	I267 D268 Y279	Q265-I267 VanDerWaalsContact C-N 3.29Å; Q265-I267 PolarHBondContact O-N 3.45Å; Q265-D268 WeakPolarHBondContact O-CB 3.3Å; Q265-D268 PolarHBondContact O-N 2.94Å; Q265-D268 VanDerWaalsContact O-N 3.17Å; Q265-Y279 HydrophobicContact CB-CD1 4.37Å; Q265-Y279 HydrophobicContact CB-CD2 3.62Å; Q265-Y279 HydrophobicContact CB-CE1 4.49Å; Q265-Y279 HydrophobicContact CB-CE2 3.79Å; Q265-Y279 HydrophobicContact CB-CG 3.92Å; Q265-Y279 HydrophobicContact CG-CD2 4.05Å; Q265-Y279 HydrophobicContact CG-CE2 3.76Å
266	F	93.1	Very high	90.1	Very high	120 Å²	120	36.9 Å²	36.9	53%	0.526	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-77	-11	-175.7	-62.3	-69.9	0	0	0	114.4	E264 H417 M456 L457	E264-F266 VanDerWaalsContact C-N 3.26Å; E264-F266 PolarHBondContact O-N 3.5Å; F266-H417 PolarHBondContact O-CE1 3.04Å; F266-H417 VanDerWaalsContact O-CE1 3.23Å; F266-H417 PolarHBondContact O-NE2 3.14Å; F266-M456 HydrophobicContact CB-CE 3.8Å; F266-M456 HydrophobicContact CG-CE 4.16Å; F266-L457 HydrophobicContact CB-CD2 3.89Å; F266-L457 HydrophobicContact CD2-CD2 4.37Å
267	I	94.9	Very high	90.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-76.3	-31.9	169.2	-65.6	176.6	0	0	0	110	E264 Q265 L388 L389 T392 H417 F453 L457	E264-I267 HydrophobicContact CB-CB 4.47Å; E264-I267 HydrophobicContact CB-CD1 3.85Å; E264-I267 HydrophobicContact CB-CG1 3.97Å; E264-I267 HydrophobicContact CG-CD1 4.25Å; E264-I267 PolarHBondContact O-N 3.25Å; Q265-I267 VanDerWaalsContact C-N 3.29Å; Q265-I267 PolarHBondContact O-N 3.45Å; I267-L388 HydrophobicContact CG2-CD2 4.31Å; I267-L389 HydrophobicContact CD1-CD1 3.96Å; I267-T392 HydrophobicContact CD1-CG2 3.91Å; I267-T392 HydrophobicContact CG1-CG2 4.28Å; I267-H417 PolarHBondContact O-NE2 3.46Å; I267-H417 VanDerWaalsContact O-NE2 3.15Å; I267-F453 HydrophobicContact CG1-CE1 3.93Å; I267-F453 HydrophobicContact CG1-CZ 4.32Å; I267-L457 HydrophobicContact CD1-CD1 3.99Å; I267-L457 HydrophobicContact CG1-CD1 4.03Å
268	D	92.7	Very high	90.5	Very high	8 Å²	8	37 Å²	37	4%	0.043	19%	0.185	C	C	.	.	S	Bend	trans	-69.6	163.3	-178.5	-152.7	1.5	0	0	0	112.1	N176 Q265 Y279 R413	N176-D268 HydrophobicContact CB-CB 4.4Å; N176-D268 PolarHBondContact ND2-N 2.72Å; Q265-D268 WeakPolarHBondContact O-CB 3.3Å; Q265-D268 PolarHBondContact O-N 2.94Å; Q265-D268 VanDerWaalsContact O-N 3.17Å; D268-Y279 HydrophobicContact CB-CE1 4.41Å; D268-Y279 PolarHBondContact OD2-OH 3.02Å; D268-R413 IonicContact OD1-CZ 3.73Å; D268-R413 IonicContact OD1-NE 3.84Å; D268-R413 PolarHBondContact OD1-NE 3.1Å; D268-R413 IonicContact OD1-NH2 2.89Å; D268-R413 PolarHBondContact OD1-NH2 2.97Å
269	F	92.1	Very high	90.6	Very high	7 Å²	7	38.2 Å²	38.2	3%	0.031	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-70.2	141	166.8	-63.5	-54.8	0	0	0	109.7	P196 D204 R271 A412 R413 R416	P196-F269 HydrophobicContact CG-CD2 3.72Å; P196-F269 HydrophobicContact CG-CE2 3.71Å; D204-F269 HydrophobicContact CB-CB 4.05Å; D204-F269 HydrophobicContact CB-CD1 3.86Å; D204-F269 HydrophobicContact CB-CG 3.96Å; D204-F269 VanDerWaalsContact OD1-CD1 3.31Å; D204-F269 WeakPolarHBondContact OD1-CD1 3.35Å; D204-F269 WeakPolarHBondContact OD1-CE1 3.48Å; F269-R271 PolarHBondContact O-N 2.82Å; F269-A412 HydrophobicContact CZ-CB 4.14Å; F269-R413 HydrophobicContact CD1-CG 4.37Å; F269-R413 HydrophobicContact CD2-CG 4.02Å; F269-R413 HydrophobicContact CE1-CG 3.99Å; F269-R413 HydrophobicContact CE2-CG 3.62Å; F269-R413 HydrophobicContact CG-CG 4.38Å; F269-R413 HydrophobicContact CZ-CB 4.32Å; F269-R413 HydrophobicContact CZ-CG 3.59Å; F269-R416 HydrophobicContact CD1-CG 4.26Å; F269-R416 HydrophobicContact CE1-CB 3.84Å; F269-R416 HydrophobicContact CE1-CG 3.82Å
270	P	91	Very high	90.6	Very high	96 Å²	96	38.1 Å²	38.1	62%	0.623	19%	0.19	S	C	*	.	P	Polyproline II helix	trans	-56.3	129.8	176.5	-24.3	33.8	0	0	0	111.3
271	R	90.3	Very high	90.3	Very high	40 Å²	40	38.1 Å²	38.1	15%	0.151	19%	0.19	C	C	.	.			trans	-157.2	158.5	178.9	63	-178.3	-45.4	-138.3	-3.2	113.1	P189 I195 F269 M273	P189-R271 PolarHBondContact O-NH2 3.11Å; P189-R271 VanDerWaalsContact O-NH2 3.17Å; I195-R271 HydrophobicContact CD1-CB 3.55Å; F269-R271 PolarHBondContact O-N 2.82Å; R271-M273 HydrophobicContact CG-CE 3.74Å; R271-M273 HydrophobicContact CG-CG 4.09Å; R271-M273 HydrophobicContact CG-SD 4.04Å; R271-M273 PolarHBondContact O-N 2.8Å
272	P	87.2	Confident	90	Very high	53 Å²	53	39.2 Å²	39.2	34%	0.344	20%	0.196	S	C	.	.			trans	-64.6	125.5	173.1	-20.9	34.4	0	0	0	110.8	P189	P189-P272 HydrophobicContact CB-CB 4.11Å; P189-P272 HydrophobicContact CB-CG 4.06Å; P189-P272 HydrophobicContact CG-CB 3.92Å; P189-P272 HydrophobicContact CG-CG 4.35Å
273	M	86.2	Confident	89.7	Confident	53 Å²	53	39.1 Å²	39.1	26%	0.261	20%	0.195	S	C	.	.			trans	-127.2	156.1	179.8	-63.1	-81.3	83.4	0	0	110.5	V178 I188 M261 R271 I277	V178-M273 HydrophobicContact CG2-CE 4.48Å; I188-M273 HydrophobicContact CG2-CE 3.42Å; I188-M273 VanDerWaalsContact CG2-CE 3.42Å; M261-M273 HydrophobicContact SD-SD 4.45Å; R271-M273 HydrophobicContact CG-CE 3.74Å; R271-M273 HydrophobicContact CG-CG 4.09Å; R271-M273 HydrophobicContact CG-SD 4.04Å; R271-M273 PolarHBondContact O-N 2.8Å; M273-I277 HydrophobicContact CB-CD1 4.39Å; M273-I277 HydrophobicContact CE-CD1 4.02Å; M273-I277 HydrophobicContact SD-CD1 3.99Å; M273-I277 HydrophobicContact SD-CG2 4.24Å
274	L	85.2	Confident	89.1	Confident	36 Å²	36	42.7 Å²	42.7	19%	0.188	21%	0.212	C	C	.	.			trans	-95.7	160	177.5	-48.8	178.1	0	0	0	110.7	M186 I188 D276 I277 L485	M186-L274 HydrophobicContact CB-CD1 4.21Å; M186-L274 HydrophobicContact CE-CD1 4.47Å; M186-L274 VanDerWaalsContact O-CD1 3.23Å; M186-L274 WeakPolarHBondContact O-CD1 3.47Å; I188-L274 HydrophobicContact CG1-CD1 4.14Å; I188-L274 HydrophobicContact CG1-CG 4.37Å; L274-D276 PolarHBondContact O-N 2.84Å; L274-I277 HydrophobicContact CB-CD1 4.16Å; L274-I277 HydrophobicContact CB-CG1 4.13Å; L274-I277 HydrophobicContact CG-CD1 4.29Å; L274-I277 WeakPolarHBondContact O-CB 3.45Å; L274-I277 PolarHBondContact O-N 3.48Å; L274-I277 VanDerWaalsContact O-N 3.11Å; L274-L485 HydrophobicContact CD1-CD1 4.03Å; L274-L485 HydrophobicContact CD2-CD1 3.28Å; L274-L485 HydrophobicContact CD2-CG 3.93Å; L274-L485 HydrophobicContact CG-CD1 4.28Å
275	H	84.1	Confident	87.9	Confident	192 Å²	192	43.7 Å²	43.7	89%	0.889	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-27.5	178.3	-65.7	94.3	0	0	0	113	I277	H275-I277 PolarHBondContact O-N 2.94Å
276	D	84.5	Confident	86.7	Confident	38 Å²	38	40.1 Å²	40.1	20%	0.203	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	18.1	176	-56.6	-45.8	0	0	0	112.8	G258 L259 L274 K483	G258-D276 CarbonylContact C-O 3.54Å; G258-D276 VanDerWaalsContact CA-O 3.25Å; G258-D276 WeakPolarHBondContact CA-O 3.11Å; L259-D276 PolarHBondContact N-O 2.98Å; L274-D276 PolarHBondContact O-N 2.84Å; D276-K483 VanDerWaalsContact OD2-CB 3.31Å; D276-K483 WeakPolarHBondContact OD2-CB 3.42Å
277	I	90.2	Very high	85.4	Confident	9 Å²	9	36.4 Å²	36.4	5%	0.046	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.1	170.1	-53.3	179.1	0	0	0	108.5	M186 I188 L259 M261 M273 L274 H275	M186-I277 HydrophobicContact CE-CG1 4.05Å; I188-I277 HydrophobicContact CD1-CD1 3.49Å; I188-I277 VanDerWaalsContact CD1-CD1 3.49Å; I188-I277 HydrophobicContact CG1-CD1 3.94Å; L259-I277 HydrophobicContact CB-CG1 4.25Å; L259-I277 HydrophobicContact CB-CG2 4.45Å; L259-I277 HydrophobicContact CD2-CD1 4.47Å; L259-I277 HydrophobicContact CD2-CG1 4.49Å; L259-I277 HydrophobicContact CD2-CG2 4.21Å; L259-I277 HydrophobicContact CG-CG2 4.38Å; L259-I277 CarbonylContact O-C 3.59Å; L259-I277 VanDerWaalsContact O-CA 3.31Å; L259-I277 WeakPolarHBondContact O-CA 3.45Å; M261-I277 HydrophobicContact CG-CG2 4.09Å; M261-I277 HydrophobicContact SD-CG2 3.85Å; M273-I277 HydrophobicContact CB-CD1 4.39Å; M273-I277 HydrophobicContact CE-CD1 4.02Å; M273-I277 HydrophobicContact SD-CD1 3.99Å; M273-I277 HydrophobicContact SD-CG2 4.24Å; L274-I277 HydrophobicContact CB-CD1 4.16Å; L274-I277 HydrophobicContact CB-CG1 4.13Å; L274-I277 HydrophobicContact CG-CD1 4.29Å; L274-I277 WeakPolarHBondContact O-CB 3.45Å; L274-I277 PolarHBondContact O-N 3.48Å; L274-I277 VanDerWaalsContact O-N 3.11Å; H275-I277 PolarHBondContact O-N 2.94Å
278	T	92.1	Very high	84.1	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142	176.4	-166	0	0	0	0	112.4	L259 I260 M261 R471 M475	L259-T278 PolarHBondContact O-N 2.85Å; I260-T278 CarbonylContact C-O 3.59Å; I260-T278 WeakPolarHBondContact CA-O 3.45Å; I260-T278 HydrophobicContact CB-CG2 4.23Å; I260-T278 HydrophobicContact CG1-CG2 3.77Å; I260-T278 HydrophobicContact CG2-CG2 4.1Å; M261-T278 PolarHBondContact N-O 2.7Å; T278-R471 VanDerWaalsContact CB-NH1 3.34Å; T278-R471 HydrophobicContact CG2-CB 4.41Å; T278-R471 WeakPolarHBondContact OG1-CD 3.46Å; T278-R471 PolarHBondContact OG1-NH1 2.92Å; T278-M475 HydrophobicContact CG2-CE 4.23Å
279	Y	93.4	Very high	83.4	Confident	25 Å²	25	52.2 Å²	52.2	10%	0.098	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	121.2	172.5	-71.1	-92.7	0	0	0	107.7	N176 M261 G263 Q265 D268 G281	N176-Y279 VanDerWaalsContact OD1-CD1 3.24Å; N176-Y279 WeakPolarHBondContact OD1-CD1 3.43Å; N176-Y279 WeakPolarHBondContact OD1-CE1 3.15Å; M261-Y279 HydrophobicContact CB-CD1 3.88Å; M261-Y279 HydrophobicContact CB-CE1 4.09Å; M261-Y279 HydrophobicContact CB-CG 4.4Å; M261-Y279 HydrophobicContact CE-CD1 4.44Å; M261-Y279 HydrophobicContact CE-CE1 3.57Å; M261-Y279 HydrophobicContact CG-CE1 4.46Å; M261-Y279 HydrophobicContact SD-CD1 4.33Å; M261-Y279 HydrophobicContact SD-CE1 3.63Å; M261-Y279 HydrophobicContact SD-CE2 4.19Å; M261-Y279 VanDerWaalsContact SD-CZ 3.54Å; G263-Y279 WeakPolarHBondContact O-CB 3.09Å; Q265-Y279 HydrophobicContact CB-CD1 4.37Å; Q265-Y279 HydrophobicContact CB-CD2 3.62Å; Q265-Y279 HydrophobicContact CB-CE1 4.49Å; Q265-Y279 HydrophobicContact CB-CE2 3.79Å; Q265-Y279 HydrophobicContact CB-CG 3.92Å; Q265-Y279 HydrophobicContact CG-CD2 4.05Å; Q265-Y279 HydrophobicContact CG-CE2 3.76Å; D268-Y279 HydrophobicContact CB-CE1 4.41Å; D268-Y279 PolarHBondContact OD2-OH 3.02Å; Y279-G281 VanDerWaalsContact C-N 3.29Å
280	M	92.1	Very high	83.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.305	C	S	.	.			trans	-77.4	-17.5	-176.5	70.7	179.5	-89.3	0	0	113.5	F42 F46 I260 M261 N262 F283 N464 T468	F42-M280 HydrophobicContact CE2-SD 3.96Å; F46-M280 HydrophobicContact CD2-CE 4.35Å; F46-M280 HydrophobicContact CD2-SD 4.33Å; F46-M280 HydrophobicContact CE1-SD 4.36Å; F46-M280 HydrophobicContact CE2-CE 3.73Å; F46-M280 HydrophobicContact CE2-SD 3.21Å; F46-M280 WeakPolarHBondContact CE2-SD 3.2Å; F46-M280 HydrophobicContact CZ-CB 4.33Å; F46-M280 HydrophobicContact CZ-CE 3.95Å; F46-M280 HydrophobicContact CZ-CG 4.4Å; F46-M280 HydrophobicContact CZ-SD 3.24Å; F46-M280 WeakPolarHBondContact CZ-SD 3.17Å; I260-M280 HydrophobicContact CG2-CB 3.8Å; M261-M280 WeakPolarHBondContact O-CG 3.43Å; M261-M280 PolarHBondContact O-N 2.95Å; N262-M280 HydrophobicContact CB-SD 4.14Å; M280-F283 HydrophobicContact CB-CE1 3.91Å; M280-F283 HydrophobicContact CB-CZ 4.06Å; M280-F283 HydrophobicContact CE-CD1 4.25Å; M280-F283 HydrophobicContact CE-CD2 3.97Å; M280-F283 HydrophobicContact CE-CE1 3.98Å; M280-F283 HydrophobicContact CE-CE2 3.65Å; M280-F283 HydrophobicContact CE-CG 4.26Å; M280-F283 HydrophobicContact CE-CZ 3.67Å; M280-N464 WeakPolarHBondContact O-CB 3.04Å; M280-T468 WeakPolarHBondContact CA-OG1 3.47Å; M280-T468 HydrophobicContact CB-CG2 3.96Å
281	G	89.7	Confident	83	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.283	C	S	.	.			trans	56.1	-134.9	-171.1	0	0	0	0	0	112.8	G263 E264 Y279	G263-G281 WeakPolarHBondContact O-CA 3.41Å; G263-G281 PolarHBondContact O-N 3.28Å; E264-G281 VanDerWaalsContact OE1-CA 3.22Å; E264-G281 WeakPolarHBondContact OE1-CA 3.4Å; Y279-G281 VanDerWaalsContact C-N 3.29Å
282	D	87.2	Confident	83.2	Confident	23 Å²	23	57.6 Å²	57.6	12%	0.123	30%	0.295	C	S	.	.			trans	-115.1	133.8	175.6	-177.9	32	0	0	0	110.3	R368 L389 L393 N464	D282-R368 VanDerWaalsContact CG-NH1 3.26Å; D282-R368 VanDerWaalsContact CG-NH2 3.35Å; D282-R368 IonicContact OD1-CZ 3.62Å; D282-R368 IonicContact OD1-NH1 3.13Å; D282-R368 PolarHBondContact OD1-NH1 3.07Å; D282-R368 IonicContact OD1-NH2 3.77Å; D282-R368 PolarHBondContact OD1-NH2 3.27Å; D282-R368 IonicContact OD2-CZ 2.71Å; D282-R368 IonicContact OD2-NE 3.71Å; D282-R368 IonicContact OD2-NH1 2.72Å; D282-R368 PolarHBondContact OD2-NH1 2.75Å; D282-R368 VanDerWaalsContact OD2-NH1 3.07Å; D282-R368 IonicContact OD2-NH2 3.42Å; D282-R368 PolarHBondContact OD2-NH2 2.96Å; D282-L389 HydrophobicContact CB-CD2 4.37Å; D282-L393 HydrophobicContact CB-CD1 3.52Å; D282-N464 PolarHBondContact N-ND2 2.78Å; D282-N464 VanDerWaalsContact O-CB 3.24Å; D282-N464 WeakPolarHBondContact O-CB 3.44Å; D282-N464 PolarHBondContact O-ND2 2.76Å
283	F	84.6	Confident	83.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.314	C	S	.	.			trans	-86.8	129	-179.1	-69.1	-15.3	0	0	0	111.5	R45 F46 A49 M280 S285 S286 R368 E465 T468 M469	R45-F283 HydrophobicContact CB-CD2 4.23Å; F46-F283 HydrophobicContact CD1-CE2 4.04Å; F46-F283 HydrophobicContact CD1-CZ 4.28Å; F46-F283 HydrophobicContact CE1-CE2 4.17Å; F46-F283 AromaticContact CE1-CZ 3.98Å; F46-F283 HydrophobicContact CE1-CZ 3.98Å; F46-F283 HydrophobicContact CG-CE2 4.31Å; F46-F283 HydrophobicContact CZ-CZ 4.37Å; A49-F283 HydrophobicContact CB-CD2 3.62Å; A49-F283 HydrophobicContact CB-CE2 3.67Å; A49-F283 HydrophobicContact CB-CG 4.39Å; A49-F283 HydrophobicContact CB-CZ 4.46Å; M280-F283 HydrophobicContact CB-CE1 3.91Å; M280-F283 HydrophobicContact CB-CZ 4.06Å; M280-F283 HydrophobicContact CE-CD1 4.25Å; M280-F283 HydrophobicContact CE-CD2 3.97Å; M280-F283 HydrophobicContact CE-CE1 3.98Å; M280-F283 HydrophobicContact CE-CE2 3.65Å; M280-F283 HydrophobicContact CE-CG 4.26Å; M280-F283 HydrophobicContact CE-CZ 3.67Å; F283-S285 VanDerWaalsContact C-N 3.34Å; F283-S285 PolarHBondContact O-N 3.39Å; F283-S286 PolarHBondContact O-N 3.26Å; F283-S286 PolarHBondContact O-OG 3.31Å; F283-R368 PolarHBondContact O-NH2 3.09Å; F283-E465 HydrophobicContact CB-CB 4.47Å; F283-E465 HydrophobicContact CB-CG 4.49Å; F283-E465 HydrophobicContact CD1-CB 3.9Å; F283-E465 HydrophobicContact CD1-CG 4.18Å; F283-E465 HydrophobicContact CE1-CB 4.45Å; F283-E465 HydrophobicContact CG-CB 4.3Å; F283-E465 HydrophobicContact CG-CG 4.23Å; F283-T468 HydrophobicContact CE1-CG2 4.24Å; F283-T468 HydrophobicContact CZ-CG2 4.09Å; F283-M469 HydrophobicContact CE2-CE 4.44Å; F283-M469 HydrophobicContact CZ-CE 4.01Å
284	E	76.5	Confident	84	Confident	75 Å²	75	65.4 Å²	65.4	35%	0.35	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-67.2	-34.9	-175.7	-63.8	82	179	0	0	112	S286 S287 P463 N464 E465	E284-S286 PolarHBondContact O-N 2.78Å; E284-S286 VanDerWaalsContact O-N 3.1Å; E284-S287 WeakPolarHBondContact O-CB 3.29Å; E284-S287 PolarHBondContact O-N 3.31Å; E284-S287 PolarHBondContact O-OG 2.98Å; E284-P463 WeakPolarHBondContact OE1-CA 3.42Å; E284-P463 WeakPolarHBondContact OE1-CB 3.4Å; E284-N464 PolarHBondContact OE1-N 2.68Å; E284-N464 VanDerWaalsContact OE1-N 3.12Å; E284-E465 VanDerWaalsContact OE2-CB 3.23Å; E284-E465 WeakPolarHBondContact OE2-CB 3.45Å; E284-E465 PolarHBondContact OE2-N 3.11Å
285	S	66.6	Low	84.5	Confident	30 Å²	30	64.6 Å²	64.6	21%	0.21	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-54.2	-29.1	175.9	53.7	0	0	0	0	113.3	M52 F283 S287 E465	M52-S285 VanDerWaalsContact SD-CB 3.54Å; F283-S285 VanDerWaalsContact C-N 3.34Å; F283-S285 PolarHBondContact O-N 3.39Å; S285-S287 PolarHBondContact O-N 3.2Å; S285-E465 WeakPolarHBondContact CB-OE2 3.47Å; S285-E465 PolarHBondContact N-OE2 3.49Å; S285-E465 VanDerWaalsContact N-OE2 3.14Å; S285-E465 PolarHBondContact OG-OE2 2.87Å
286	S	67.3	Low	85	Confident	34 Å²	34	59.3 Å²	59.3	24%	0.238	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-84	-3.4	-178.7	71	0	0	0	0	115.1	F283 E284 R368	F283-S286 PolarHBondContact O-N 3.26Å; F283-S286 PolarHBondContact O-OG 3.31Å; E284-S286 PolarHBondContact O-N 2.78Å; E284-S286 VanDerWaalsContact O-N 3.1Å; S286-R368 PolarHBondContact OG-NH1 3.33Å
287	S	66.3	Low	85.5	Confident	42 Å²	42	61.9 Å²	61.9	29%	0.294	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-85.8	-23.6	-174.3	67	0	0	0	0	116.1	E284 S285 K289 R368	E284-S287 WeakPolarHBondContact O-CB 3.29Å; E284-S287 PolarHBondContact O-N 3.31Å; E284-S287 PolarHBondContact O-OG 2.98Å; S285-S287 PolarHBondContact O-N 3.2Å; S287-K289 PolarHBondContact O-N 3.14Å; S287-R368 VanDerWaalsContact CB-NH2 3.32Å
288	K	66.4	Low	85.8	Confident	184 Å²	184	62 Å²	62	80%	0.8	31%	0.313	S	S	*	.			trans	-84	63.9	-161.2	-62.1	-175.9	-179.7	179.1	0	114.2
289	K	78.1	Confident	86	Confident	158 Å²	158	62.6 Å²	62.6	69%	0.687	32%	0.316	S	S	*	.			trans	-119.2	130.8	169	-61	-175.7	179.1	-179.8	0	111.1	S287 Q369	S287-K289 PolarHBondContact O-N 3.14Å; K289-Q369 VanDerWaalsContact O-CG 3.28Å; K289-Q369 WeakPolarHBondContact O-CG 3.36Å
290	N	85.5	Confident	86.1	Confident	164 Å²	164	67.3 Å²	67.3	88%	0.877	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-72.6	145.4	169.7	-65.9	-17	0	0	0	109.7
291	L	90.6	Very high	86.2	Confident	34 Å²	34	74 Å²	74	18%	0.178	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-74.3	148.3	170.9	-75.2	174.8	0	0	0	110.2	W295 L296 L299 P366 Q369	L291-W295 HydrophobicContact CB-CB 4.02Å; L291-W295 HydrophobicContact CD1-CB 4.29Å; L291-W295 HydrophobicContact CD2-CB 3.82Å; L291-W295 HydrophobicContact CD2-CG 4.05Å; L291-W295 HydrophobicContact CG-CB 4.26Å; L291-L296 HydrophobicContact CB-CD2 4.2Å; L291-L296 HydrophobicContact CB-CG 4.2Å; L291-L299 HydrophobicContact CD1-CD1 3.41Å; L291-L299 VanDerWaalsContact CD1-CD1 3.41Å; L291-P366 HydrophobicContact CD2-CB 3.75Å; L291-P366 HydrophobicContact CD2-CG 3.55Å; L291-Q369 HydrophobicContact CD1-CB 4.14Å; L291-Q369 HydrophobicContact CD2-CB 3.37Å; L291-Q369 HydrophobicContact CD2-CG 4.01Å; L291-Q369 HydrophobicContact CG-CB 3.7Å; L291-Q369 HydrophobicContact CG-CG 4.24Å
292	S	93.3	Very high	86.5	Confident	58 Å²	58	74.1 Å²	74.1	41%	0.406	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-69.6	163.7	168.6	65.2	0	0	0	0	110.5	E294 W295 L296	S292-E294 PolarHBondContact O-N 3.45Å; S292-W295 PolarHBondContact O-N 3.14Å; S292-W295 VanDerWaalsContact O-N 3.13Å; S292-L296 PolarHBondContact O-N 3.03Å; S292-L296 VanDerWaalsContact O-N 3.07Å
293	E	94.5	Very high	86.8	Confident	155 Å²	155	77.5 Å²	77.5	72%	0.724	40%	0.401	S	S	*	.	H	α-helix	trans	-57.1	-36.9	176.6	-66.5	-176.1	171.5	0	0	112.6	W295 L296 N297	E293-W295 VanDerWaalsContact C-N 3.35Å; E293-W295 PolarHBondContact O-N 3.09Å; E293-L296 PolarHBondContact O-N 3.25Å; E293-N297 WeakPolarHBondContact O-CB 3.49Å; E293-N297 VanDerWaalsContact O-CG 3.26Å; E293-N297 PolarHBondContact O-N 3.2Å; E293-N297 PolarHBondContact O-ND2 3.38Å
294	E	95.4	Very high	87.3	Confident	115 Å²	115	81.7 Å²	81.7	54%	0.537	42%	0.423	S	S	.	.	H	α-helix	trans	-54.1	-49	174.2	180	-177	-157.5	0	0	111.9	S292 N297 L298	S292-E294 PolarHBondContact O-N 3.45Å; E294-N297 PolarHBondContact O-N 2.73Å; E294-L298 PolarHBondContact O-N 2.62Å
295	W	95.7	Very high	88.3	Confident	19 Å²	19	78.2 Å²	78.2	7%	0.072	41%	0.407	C	S	.	.	H	α-helix	trans	-70.9	-35.6	179.3	-70.2	111.2	0	0	0	112.6	L291 S292 E293 L298 L299 V341 F362 L365 P366 L370	L291-W295 HydrophobicContact CB-CB 4.02Å; L291-W295 HydrophobicContact CD1-CB 4.29Å; L291-W295 HydrophobicContact CD2-CB 3.82Å; L291-W295 HydrophobicContact CD2-CG 4.05Å; L291-W295 HydrophobicContact CG-CB 4.26Å; S292-W295 PolarHBondContact O-N 3.14Å; S292-W295 VanDerWaalsContact O-N 3.13Å; E293-W295 VanDerWaalsContact C-N 3.35Å; E293-W295 PolarHBondContact O-N 3.09Å; W295-L298 HydrophobicContact CE3-CD2 3.78Å; W295-L298 HydrophobicContact CZ3-CD2 3.66Å; W295-L298 PolarHBondContact O-N 2.87Å; W295-L299 WeakPolarHBondContact O-CB 3.5Å; W295-L299 VanDerWaalsContact O-CG 3.25Å; W295-L299 WeakPolarHBondContact O-CG 3.36Å; W295-L299 PolarHBondContact O-N 2.87Å; W295-V341 HydrophobicContact CH2-CG1 4.07Å; W295-V341 HydrophobicContact CZ3-CG1 4Å; W295-V341 HydrophobicContact CZ3-CG2 4.44Å; W295-F362 HydrophobicContact CH2-CB 4.48Å; W295-F362 AromaticContact CH2-CD1 3.8Å; W295-F362 HydrophobicContact CH2-CD1 3.8Å; W295-F362 AromaticContact CH2-CD2 3.56Å; W295-F362 HydrophobicContact CH2-CD2 3.56Å; W295-F362 AromaticContact CH2-CE1 3.79Å; W295-F362 HydrophobicContact CH2-CE1 3.79Å; W295-F362 AromaticContact CH2-CE2 3.52Å; W295-F362 HydrophobicContact CH2-CE2 3.52Å; W295-F362 AromaticContact CH2-CG 3.68Å; W295-F362 HydrophobicContact CH2-CG 3.68Å; W295-F362 AromaticContact CH2-CZ 3.65Å; W295-F362 HydrophobicContact CH2-CZ 3.65Å; W295-F362 AromaticContact CZ2-CD1 3.78Å; W295-F362 HydrophobicContact CZ2-CD1 3.78Å; W295-F362 HydrophobicContact CZ2-CD2 4.35Å; W295-F362 AromaticContact CZ2-CE1 3.89Å; W295-F362 HydrophobicContact CZ2-CE1 3.89Å; W295-F362 HydrophobicContact CZ2-CE2 4.42Å; W295-F362 HydrophobicContact CZ2-CG 4.02Å; W295-F362 HydrophobicContact CZ2-CZ 4.21Å; W295-F362 HydrophobicContact CZ3-CD2 4.28Å; W295-F362 HydrophobicContact CZ3-CE1 4.42Å; W295-F362 AromaticContact CZ3-CE2 3.82Å; W295-F362 HydrophobicContact CZ3-CE2 3.82Å; W295-F362 AromaticContact CZ3-CZ 3.91Å; W295-F362 HydrophobicContact CZ3-CZ 3.91Å; W295-L365 HydrophobicContact CH2-CD2 3.63Å; W295-L365 HydrophobicContact CZ2-CD2 4.24Å; W295-P366 HydrophobicContact CD2-CG 3.7Å; W295-P366 VanDerWaalsContact CE2-CG 3.48Å; W295-P366 HydrophobicContact CE3-CG 4.42Å; W295-P366 HydrophobicContact CG-CG 3.84Å; W295-P366 HydrophobicContact CZ2-CG 4.03Å; W295-L370 HydrophobicContact CD2-CD2 4.39Å; W295-L370 HydrophobicContact CE3-CD1 4.04Å; W295-L370 HydrophobicContact CE3-CD2 3.7Å; W295-L370 HydrophobicContact CE3-CG 4.37Å; W295-L370 HydrophobicContact CH2-CD1 4.25Å; W295-L370 HydrophobicContact CZ3-CD1 3.75Å; W295-L370 HydrophobicContact CZ3-CD2 4.2Å
296	L	95.1	Very high	89.8	Confident	81 Å²	81	76.8 Å²	76.8	42%	0.424	40%	0.397	S	S	.	.	H	α-helix	trans	-63.8	-43	174.8	-68.6	173.2	0	0	0	111.3	L291 S292 E293 L299 N300	L291-L296 HydrophobicContact CB-CD2 4.2Å; L291-L296 HydrophobicContact CB-CG 4.2Å; S292-L296 PolarHBondContact O-N 3.03Å; S292-L296 VanDerWaalsContact O-N 3.07Å; E293-L296 PolarHBondContact O-N 3.25Å; L296-L299 PolarHBondContact O-N 2.81Å; L296-N300 WeakPolarHBondContact O-CB 3.39Å; L296-N300 VanDerWaalsContact O-CG 3.25Å; L296-N300 PolarHBondContact O-N 2.87Å; L296-N300 PolarHBondContact O-ND2 2.91Å
297	N	96	Very high	91.3	Very high	91 Å²	91	75.1 Å²	75.1	49%	0.487	39%	0.386	S	S	.	.	H	α-helix	trans	-63.1	-44.7	176.4	-73.1	-19.9	0	0	0	111.4	E293 E294 L299 N300 Q301	E293-N297 WeakPolarHBondContact O-CB 3.49Å; E293-N297 VanDerWaalsContact O-CG 3.26Å; E293-N297 PolarHBondContact O-N 3.2Å; E293-N297 PolarHBondContact O-ND2 3.38Å; E294-N297 PolarHBondContact O-N 2.73Å; N297-L299 PolarHBondContact O-N 2.86Å; N297-N300 PolarHBondContact O-N 3.48Å; N297-Q301 WeakPolarHBondContact O-CG 3.26Å; N297-Q301 PolarHBondContact O-N 2.85Å
298	L	96.1	Very high	92.8	Very high	12 Å²	12	73.1 Å²	73.1	6%	0.063	37%	0.372	C	S	.	.	H	α-helix	trans	-58.5	-48.6	175.7	-167.5	74.7	0	0	0	111.2	E294 W295 N300 Q301 S302 T339 V341 F362	E294-L298 PolarHBondContact O-N 2.62Å; W295-L298 HydrophobicContact CE3-CD2 3.78Å; W295-L298 HydrophobicContact CZ3-CD2 3.66Å; W295-L298 PolarHBondContact O-N 2.87Å; L298-N300 VanDerWaalsContact C-N 3.28Å; L298-N300 PolarHBondContact O-N 3.45Å; L298-Q301 PolarHBondContact O-N 3.17Å; L298-S302 PolarHBondContact O-N 2.77Å; L298-S302 PolarHBondContact O-OG 3.01Å; L298-T339 HydrophobicContact CD1-CG2 3.88Å; L298-T339 HydrophobicContact CG-CG2 4.19Å; L298-V341 HydrophobicContact CD2-CG2 3.65Å; L298-F362 HydrophobicContact CD2-CE2 4.43Å; L298-F362 HydrophobicContact CD2-CZ 4.4Å
299	L	95.8	Very high	94.3	Very high	15 Å²	15	64.5 Å²	64.5	8%	0.079	33%	0.334	C	S	.	.	H	α-helix	trans	-59.6	-36.2	178.2	-74	171.1	0	0	0	113.4	L291 W295 L296 N297 I306 L370 S373 K375	L291-L299 HydrophobicContact CD1-CD1 3.41Å; L291-L299 VanDerWaalsContact CD1-CD1 3.41Å; W295-L299 WeakPolarHBondContact O-CB 3.5Å; W295-L299 VanDerWaalsContact O-CG 3.25Å; W295-L299 WeakPolarHBondContact O-CG 3.36Å; W295-L299 PolarHBondContact O-N 2.87Å; L296-L299 PolarHBondContact O-N 2.81Å; N297-L299 PolarHBondContact O-N 2.86Å; L299-I306 HydrophobicContact CD2-CD1 3.59Å; L299-L370 HydrophobicContact CD2-CD2 4.21Å; L299-L370 HydrophobicContact CG-CD2 4.42Å; L299-S373 WeakPolarHBondContact CD2-OG 3.39Å; L299-K375 HydrophobicContact CD2-CB 3.88Å; L299-K375 HydrophobicContact CD2-CG 3.91Å
300	N	95.2	Very high	95.2	Very high	123 Å²	123	57.3 Å²	57.3	66%	0.658	30%	0.304	S	S	*	.	H	α-helix	trans	-71.4	-36.9	178.1	-73.6	-21.3	0	0	0	112	L296 N297 L298	L296-N300 WeakPolarHBondContact O-CB 3.39Å; L296-N300 VanDerWaalsContact O-CG 3.25Å; L296-N300 PolarHBondContact O-N 2.87Å; L296-N300 PolarHBondContact O-ND2 2.91Å; N297-N300 PolarHBondContact O-N 3.48Å; L298-N300 VanDerWaalsContact C-N 3.28Å; L298-N300 PolarHBondContact O-N 3.45Å
301	Q	94.3	Very high	95.6	Very high	142 Å²	142	49.7 Å²	49.7	66%	0.664	26%	0.263	S	S	*	.	H	α-helix	trans	-74.9	-25.7	178.2	-69.2	172.5	2.2	0	0	112.8	N297 L298 S303	N297-Q301 WeakPolarHBondContact O-CG 3.26Å; N297-Q301 PolarHBondContact O-N 2.85Å; L298-Q301 PolarHBondContact O-N 3.17Å; Q301-S303 VanDerWaalsContact C-N 3.34Å; Q301-S303 PolarHBondContact O-N 3.02Å
302	S	96.1	Very high	95.6	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.007	26%	0.259	C	S	.	.			trans	-77.9	71	179.1	-54.7	0	0	0	0	113.5	L298 G305 I306 T339	L298-S302 PolarHBondContact O-N 2.77Å; L298-S302 PolarHBondContact O-OG 3.01Å; S302-G305 PolarHBondContact O-N 3.41Å; S302-I306 WeakPolarHBondContact OG-CG1 3.25Å; S302-T339 WeakPolarHBondContact CB-OG1 3.34Å; S302-T339 WeakPolarHBondContact OG-CB 3.42Å; S302-T339 WeakPolarHBondContact OG-CG2 3.25Å; S302-T339 PolarHBondContact OG-OG1 3.25Å
303	S	92.6	Very high	95	Very high	95 Å²	95	47.6 Å²	47.6	66%	0.664	25%	0.253	S	S	*	.	S	Bend	trans	-62.8	-45.8	-178.2	56.6	0	0	0	0	113.6	Q301 G305	Q301-S303 VanDerWaalsContact C-N 3.34Å; Q301-S303 PolarHBondContact O-N 3.02Å; S303-G305 VanDerWaalsContact C-N 3.28Å; S303-G305 PolarHBondContact O-N 3.3Å
304	N	95.4	Very high	94.2	Very high	88 Å²	88	41.8 Å²	41.8	47%	0.471	23%	0.228	S	C	.	.	S	Bend	trans	-81	-9.7	178.9	-62.1	-40.5	0	0	0	113.4	Q337 F338	N304-Q337 VanDerWaalsContact CB-O 3.23Å; N304-Q337 WeakPolarHBondContact CB-O 3.31Å; N304-Q337 PolarHBondContact ND2-O 2.87Å; N304-F338 HydrophobicContact CB-CD1 4.24Å; N304-F338 HydrophobicContact CB-CE1 4.32Å; N304-F338 VanDerWaalsContact O-CE1 3.3Å; N304-F338 WeakPolarHBondContact O-CE1 3.31Å
305	G	97.6	Very high	93.4	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.01	20%	0.203	C	C	.	.			trans	108.7	179.6	179.2	0	0	0	0	0	113.9	S302 S303 T339 K375	S302-G305 PolarHBondContact O-N 3.41Å; S303-G305 VanDerWaalsContact C-N 3.28Å; S303-G305 PolarHBondContact O-N 3.3Å; G305-T339 PolarHBondContact O-N 3Å; G305-K375 CarbonylContact C-O 3.53Å; G305-K375 WeakPolarHBondContact CA-O 3.47Å
306	I	98.6	Very high	92.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	138.2	-170.3	-60.9	178.6	0	0	0	110.7	L299 S302 I308 T339 V341 K375 V376 K377	L299-I306 HydrophobicContact CD2-CD1 3.59Å; S302-I306 WeakPolarHBondContact OG-CG1 3.25Å; I306-I308 HydrophobicContact CG2-CG1 3.81Å; I306-T339 CarbonylContact C-O 3.57Å; I306-T339 VanDerWaalsContact CA-O 3.27Å; I306-T339 WeakPolarHBondContact CA-O 3.45Å; I306-V341 HydrophobicContact CG2-CB 4.26Å; I306-V341 HydrophobicContact CG2-CG2 3.75Å; I306-K375 HydrophobicContact CD1-CB 4.27Å; I306-K375 HydrophobicContact CG1-CB 4.4Å; I306-K375 PolarHBondContact N-O 2.99Å; I306-V376 HydrophobicContact CB-CG2 4.39Å; I306-V376 CarbonylContact O-C 3.48Å; I306-V376 WeakPolarHBondContact O-CA 3.29Å; I306-K377 PolarHBondContact O-N 3.3Å
307	I	98.7	Very high	92.2	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124	165.6	-55.9	174.7	0	0	0	107.2	F338 T339 I340 V341 L378 I380 M437 L441	I307-F338 HydrophobicContact CD1-CB 3.8Å; I307-F338 HydrophobicContact CD1-CD2 3.96Å; I307-F338 HydrophobicContact CD1-CG 3.89Å; I307-F338 HydrophobicContact CG1-CB 4.02Å; I307-F338 HydrophobicContact CG1-CG 4.19Å; I307-T339 PolarHBondContact N-O 3.26Å; I307-I340 HydrophobicContact CB-CG1 4.28Å; I307-I340 CarbonylContact O-C 3.56Å; I307-I340 WeakPolarHBondContact O-CA 3.34Å; I307-V341 PolarHBondContact O-N 3.43Å; I307-L378 WeakPolarHBondContact CA-O 3.42Å; I307-L378 HydrophobicContact CG1-CB 4.29Å; I307-L378 HydrophobicContact CG2-CB 4.22Å; I307-L378 HydrophobicContact CG2-CD2 4.19Å; I307-L378 HydrophobicContact CG2-CG 4.28Å; I307-I380 HydrophobicContact CG2-CD1 4.17Å; I307-I380 HydrophobicContact CG2-CG1 4.46Å; I307-M437 HydrophobicContact CD1-CE 3.63Å; I307-M437 HydrophobicContact CG2-CE 4.29Å; I307-L441 HydrophobicContact CD1-CD1 3.71Å; I307-L441 HydrophobicContact CD1-CD2 4.49Å
308	I	98.7	Very high	91.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	133.7	177.5	-58.7	-179.8	0	0	0	109.2	I306 V341 L365 L370 V376 L378 F379 I380	I306-I308 HydrophobicContact CG2-CG1 3.81Å; I308-V341 CarbonylContact C-O 3.58Å; I308-V341 WeakPolarHBondContact CA-O 3.2Å; I308-V341 HydrophobicContact CG1-CB 4.32Å; I308-L365 HydrophobicContact CG2-CD1 3.54Å; I308-L370 HydrophobicContact CD1-CB 3.87Å; I308-L370 HydrophobicContact CD1-CD1 4.05Å; I308-V376 HydrophobicContact CD1-CG1 4.06Å; I308-V376 HydrophobicContact CD1-CG2 3.6Å; I308-V376 HydrophobicContact CG1-CG1 4.1Å; I308-V376 HydrophobicContact CG1-CG2 4.22Å; I308-L378 PolarHBondContact N-O 2.85Å; I308-F379 HydrophobicContact CB-CD2 3.74Å; I308-F379 HydrophobicContact CB-CE2 3.74Å; I308-F379 HydrophobicContact CB-CG 4.23Å; I308-F379 HydrophobicContact CB-CZ 4.2Å; I308-F379 HydrophobicContact CD1-CD2 4.13Å; I308-F379 HydrophobicContact CD1-CE2 3.95Å; I308-F379 HydrophobicContact CG1-CD2 4.41Å; I308-F379 HydrophobicContact CG1-CE2 4.42Å; I308-F379 HydrophobicContact CG2-CD2 4.01Å; I308-F379 HydrophobicContact CG2-CE1 4.13Å; I308-F379 HydrophobicContact CG2-CE2 3.46Å; I308-F379 VanDerWaalsContact CG2-CE2 3.46Å; I308-F379 HydrophobicContact CG2-CZ 3.53Å; I308-F379 CarbonylContact O-C 3.57Å; I308-F379 WeakPolarHBondContact O-CA 3.29Å; I308-I380 PolarHBondContact O-N 3.22Å
309	F	98.1	Very high	91.1	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.009	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.4	167.6	-176.6	-79.4	0	0	0	110.1	L311 L328 F332 V341 W342 K343 I380 I401	F309-L311 HydrophobicContact CE1-CD1 3.81Å; F309-L311 HydrophobicContact CE1-CD2 4.34Å; F309-L311 HydrophobicContact CE1-CG 3.61Å; F309-L311 HydrophobicContact CZ-CD1 3.64Å; F309-L311 HydrophobicContact CZ-CD2 4.03Å; F309-L311 HydrophobicContact CZ-CG 3.68Å; F309-L328 HydrophobicContact CD2-CD2 4.47Å; F309-L328 HydrophobicContact CE1-CD1 4.45Å; F309-L328 HydrophobicContact CE2-CD1 3.8Å; F309-L328 HydrophobicContact CE2-CD2 3.76Å; F309-L328 HydrophobicContact CE2-CG 4.43Å; F309-L328 HydrophobicContact CZ-CD1 3.57Å; F309-L328 HydrophobicContact CZ-CD2 4.39Å; F309-F332 HydrophobicContact CB-CZ 4.01Å; F309-F332 AromaticContact CD2-CZ 3.66Å; F309-F332 HydrophobicContact CD2-CZ 3.66Å; F309-F332 HydrophobicContact CE2-CZ 4.38Å; F309-F332 AromaticContact CG-CZ 3.99Å; F309-F332 HydrophobicContact CG-CZ 3.99Å; F309-V341 PolarHBondContact N-O 3.14Å; F309-W342 HydrophobicContact CB-CG 4.43Å; F309-W342 AromaticContact CD1-CD1 3.3Å; F309-W342 HydrophobicContact CD1-CG 4.3Å; F309-W342 AromaticContact CD1-NE1 3.27Å; F309-W342 VanDerWaalsContact CD1-NE1 3.27Å; F309-W342 AromaticContact CE1-CD1 4Å; F309-W342 AromaticContact CE1-NE1 3.48Å; F309-W342 AromaticContact CG-CD1 3.97Å; F309-K343 PolarHBondContact O-N 3.03Å; F309-I380 WeakPolarHBondContact CA-O 3.5Å; F309-I380 HydrophobicContact CB-CB 4.38Å; F309-I380 HydrophobicContact CD2-CB 3.63Å; F309-I380 HydrophobicContact CD2-CD1 4.12Å; F309-I380 HydrophobicContact CD2-CG1 4.48Å; F309-I380 HydrophobicContact CD2-CG2 3.39Å; F309-I380 HydrophobicContact CE2-CB 4.36Å; F309-I380 HydrophobicContact CE2-CG2 3.61Å; F309-I380 HydrophobicContact CG-CB 4.34Å; F309-I380 HydrophobicContact CG-CG2 4.44Å; F309-I401 HydrophobicContact CE2-CD1 3.92Å; F309-I401 HydrophobicContact CZ-CD1 4.44Å
310	S	96.9	Very high	90.9	Very high	8 Å²	8	36.8 Å²	36.8	6%	0.056	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	118.6	175.9	176.6	0	0	0	0	112.7	G312 I380 T381 H382	S310-G312 VanDerWaalsContact C-N 3.29Å; S310-G312 PolarHBondContact OG-N 2.81Å; S310-I380 PolarHBondContact N-O 3Å; S310-T381 VanDerWaalsContact O-CA 3.32Å; S310-T381 WeakPolarHBondContact O-CA 3.23Å; S310-H382 PolarHBondContact O-N 3.41Å
311	L	93.8	Very high	90.8	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	19%	0.187	C	C	.	.			trans	-94.6	20.1	175.5	-59.9	179	0	0	0	113.3	F309 I320 H382 I401 L403	F309-L311 HydrophobicContact CE1-CD1 3.81Å; F309-L311 HydrophobicContact CE1-CD2 4.34Å; F309-L311 HydrophobicContact CE1-CG 3.61Å; F309-L311 HydrophobicContact CZ-CD1 3.64Å; F309-L311 HydrophobicContact CZ-CD2 4.03Å; F309-L311 HydrophobicContact CZ-CG 3.68Å; L311-I320 HydrophobicContact CD1-CD1 3.37Å; L311-H382 VanDerWaalsContact C-CG 3.45Å; L311-H382 VanDerWaalsContact C-ND1 3.3Å; L311-H382 HydrophobicContact CB-CB 4.2Å; L311-H382 HydrophobicContact CD2-CB 3.91Å; L311-H382 PolarHBondContact O-CD2 3.49Å; L311-H382 VanDerWaalsContact O-CG 3.27Å; L311-I401 HydrophobicContact CD2-CB 4.16Å; L311-I401 HydrophobicContact CD2-CD1 4.27Å; L311-L403 HydrophobicContact CB-CD1 4.38Å; L311-L403 HydrophobicContact CD1-CD1 4.47Å
312	G	89.8	Confident	90.7	Very high	9 Å²	9	32.6 Å²	32.6	9%	0.093	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.3	-163	173.1	0	0	0	0	0	114.4	S310 K343 H382	S310-G312 VanDerWaalsContact C-N 3.29Å; S310-G312 PolarHBondContact OG-N 2.81Å; G312-K343 PolarHBondContact O-NZ 2.84Å; G312-H382 WeakPolarHBondContact CA-CE1 3.49Å; G312-H382 PolarHBondContact N-CE1 3.42Å; G312-H382 PolarHBondContact N-ND1 2.96Å
313	S	81.8	Confident	90.7	Very high	39 Å²	39	39.4 Å²	39.4	27%	0.273	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-8.7	-173.2	73.1	0	0	0	0	114.5
314	V	77.3	Confident	90.8	Very high	33 Å²	33	35.6 Å²	35.6	20%	0.2	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-39.4	-175.1	-179.8	0	0	0	0	110.6	L99 K316 F404	L99-V314 HydrophobicContact CD2-CG1 4.34Å; V314-K316 PolarHBondContact O-N 3.45Å; V314-F404 HydrophobicContact CB-CZ 4.15Å; V314-F404 HydrophobicContact CG1-CE2 4.31Å; V314-F404 HydrophobicContact CG1-CZ 3.78Å
315	V	77.5	Confident	90.9	Very high	3 Å²	3	32 Å²	32	2%	0.018	16%	0.161	C	C	.	.	S	Bend	trans	-79	120.7	174.5	179.9	0	0	0	0	108.9	I103 I320 L403 F404	I103-V315 HydrophobicContact CD1-CB 4.3Å; I103-V315 HydrophobicContact CD1-CG1 3.7Å; I103-V315 HydrophobicContact CD1-CG2 3.75Å; I103-V315 HydrophobicContact CG1-CG2 4.25Å; V315-I320 HydrophobicContact CG1-CD1 4.34Å; V315-I320 HydrophobicContact CG1-CG1 4.22Å; V315-L403 HydrophobicContact CB-CD1 4.31Å; V315-L403 HydrophobicContact CG1-CD1 4.37Å; V315-L403 HydrophobicContact CG2-CD1 3.62Å; V315-F404 HydrophobicContact CG2-CE1 3.47Å; V315-F404 VanDerWaalsContact CG2-CE1 3.47Å; V315-F404 HydrophobicContact CG2-CZ 4.09Å
316	K	82.1	Confident	90.9	Very high	85 Å²	85	34.4 Å²	34.4	37%	0.37	18%	0.176	S	C	.	.			trans	-78	131.7	163.8	-64.9	174.8	176.9	160.5	0	108.2	E95 V314 N318 L319	E95-K316 VanDerWaalsContact OE2-CE 3.29Å; E95-K316 WeakPolarHBondContact OE2-CE 3.33Å; E95-K316 IonicContact OE2-NZ 3.43Å; E95-K316 PolarHBondContact OE2-NZ 3.32Å; V314-K316 PolarHBondContact O-N 3.45Å; K316-N318 WeakPolarHBondContact CB-OD1 3.25Å; K316-N318 PolarHBondContact O-N 3.43Å; K316-N318 VanDerWaalsContact O-N 3.14Å; K316-L319 HydrophobicContact CB-CD1 4.4Å; K316-L319 HydrophobicContact CB-CG 4.33Å; K316-L319 WeakPolarHBondContact O-CB 3.43Å; K316-L319 PolarHBondContact O-N 2.93Å
317	E	83.7	Confident	90.9	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.019	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-61.7	-23.2	-176.1	-74.5	76.3	-169.5	0	0	113.1	L319 I320 K343 L344 D346	E317-L319 PolarHBondContact O-N 2.92Å; E317-I320 WeakPolarHBondContact O-CB 3.29Å; E317-I320 PolarHBondContact O-N 3.41Å; E317-I320 VanDerWaalsContact O-N 3.14Å; E317-K343 VanDerWaalsContact CD-NZ 3.25Å; E317-K343 WeakPolarHBondContact OE1-CD 3.04Å; E317-K343 WeakPolarHBondContact OE1-CE 2.9Å; E317-K343 IonicContact OE1-NZ 3.26Å; E317-K343 PolarHBondContact OE1-NZ 2.81Å; E317-K343 IonicContact OE2-NZ 3.58Å; E317-K343 PolarHBondContact OE2-NZ 3.31Å; E317-K343 VanDerWaalsContact OE2-NZ 3.07Å; E317-L344 HydrophobicContact CB-CD1 3.79Å; E317-L344 HydrophobicContact CG-CD1 3.9Å; E317-D346 HydrophobicContact CB-CB 4.2Å
318	N	83.2	Confident	90.8	Very high	99 Å²	99	36.5 Å²	36.5	53%	0.529	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-68.3	-13	173	72.4	-13.5	0	0	0	114.6	K316 D346	K316-N318 WeakPolarHBondContact CB-OD1 3.25Å; K316-N318 PolarHBondContact O-N 3.43Å; K316-N318 VanDerWaalsContact O-N 3.14Å; N318-D346 WeakPolarHBondContact CA-OD2 3.46Å
319	L	86.6	Confident	90.8	Very high	29 Å²	29	36.9 Å²	36.9	15%	0.152	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-84.2	-15.2	173.2	-61	175.7	0	0	0	112.5	E95 I103 N104 K316 E317	E95-L319 HydrophobicContact CG-CD1 3.83Å; I103-L319 HydrophobicContact CD1-CB 4.23Å; I103-L319 HydrophobicContact CD1-CD1 4.2Å; N104-L319 PolarHBondContact ND2-O 3.31Å; K316-L319 HydrophobicContact CB-CD1 4.4Å; K316-L319 HydrophobicContact CB-CG 4.33Å; K316-L319 WeakPolarHBondContact O-CB 3.43Å; K316-L319 PolarHBondContact O-N 2.93Å; E317-L319 PolarHBondContact O-N 2.92Å
320	I	91.2	Very high	90.8	Very high	8 Å²	8	40.5 Å²	40.5	4%	0.041	21%	0.205	C	C	.	.	S	Bend	trans	-80.4	130.7	175.5	-59.8	170.4	0	0	0	107.4	I103 L311 V315 E317 E322 T324 K325 I425	I103-I320 HydrophobicContact CG2-CG1 4.2Å; L311-I320 HydrophobicContact CD1-CD1 3.37Å; V315-I320 HydrophobicContact CG1-CD1 4.34Å; V315-I320 HydrophobicContact CG1-CG1 4.22Å; E317-I320 WeakPolarHBondContact O-CB 3.29Å; E317-I320 PolarHBondContact O-N 3.41Å; E317-I320 VanDerWaalsContact O-N 3.14Å; I320-E322 PolarHBondContact O-N 2.92Å; I320-T324 HydrophobicContact CG2-CG2 3.99Å; I320-K325 HydrophobicContact CB-CG 4.46Å; I320-K325 HydrophobicContact CG2-CG 4.09Å; I320-K325 WeakPolarHBondContact O-CE 3.47Å; I320-I425 HydrophobicContact CG2-CD1 4.37Å
321	E	92.2	Very high	90.9	Very high	73 Å²	73	40.1 Å²	40.1	34%	0.341	20%	0.202	S	C	.	.			trans	-53.3	135.1	177.8	-79.1	176.6	-176.4	0	0	111	N104 K106 K323 T324 K325	N104-E321 HydrophobicContact CB-CG 4.25Å; N104-E321 WeakPolarHBondContact OD1-CG 3.41Å; N104-E321 PolarHBondContact OD1-N 3.16Å; N104-E321 VanDerWaalsContact OD1-N 3.11Å; K106-E321 VanDerWaalsContact CE-OE1 3.29Å; K106-E321 WeakPolarHBondContact CE-OE1 3.49Å; K106-E321 IonicContact NZ-OE1 3.97Å; K106-E321 PolarHBondContact NZ-OE1 3.27Å; E321-K323 PolarHBondContact O-N 2.95Å; E321-T324 WeakPolarHBondContact O-CB 3.39Å; E321-T324 PolarHBondContact O-N 3.03Å; E321-K325 PolarHBondContact O-N 3.33Å
322	E	93.2	Very high	91.1	Very high	103 Å²	103	40 Å²	40	48%	0.481	20%	0.201	S	C	.	.	H	α-helix	trans	-56.8	-39.6	-176.6	-171.5	172.6	168.4	0	0	112.1	I320 T324 K325 V326 F349 H353	I320-E322 PolarHBondContact O-N 2.92Å; E322-T324 VanDerWaalsContact C-N 3.29Å; E322-T324 PolarHBondContact O-N 2.92Å; E322-K325 PolarHBondContact O-N 3.42Å; E322-V326 HydrophobicContact CG-CG2 4.49Å; E322-V326 WeakPolarHBondContact O-CG2 3.39Å; E322-V326 PolarHBondContact O-N 2.95Å; E322-F349 HydrophobicContact CG-CD2 4.28Å; E322-H353 IonicContact OE1-CE1 3.93Å; E322-H353 PolarHBondContact OE1-CE1 2.87Å
323	K	94.9	Very high	91.5	Very high	144 Å²	144	44 Å²	44	63%	0.626	22%	0.217	S	C	*	.	H	α-helix	trans	-49.4	-48.9	171.8	-176.6	-177.5	176.8	-177	0	111.9	E321 K325 V326 E327	E321-K323 PolarHBondContact O-N 2.95Å; K323-K325 VanDerWaalsContact C-N 3.32Å; K323-K325 PolarHBondContact O-N 3.43Å; K323-V326 PolarHBondContact O-N 3.25Å; K323-E327 HydrophobicContact CG-CG 4.37Å; K323-E327 WeakPolarHBondContact O-CG 3.44Å; K323-E327 PolarHBondContact O-N 3.09Å
324	T	95.9	Very high	92.3	Very high	15 Å²	15	45.2 Å²	45.2	9%	0.092	22%	0.216	C	C	.	.	H	α-helix	trans	-63.3	-37.9	179.8	-57.8	0	0	0	0	111.9	I320 E321 E322 E327 L328 I425 I428	I320-T324 HydrophobicContact CG2-CG2 3.99Å; E321-T324 WeakPolarHBondContact O-CB 3.39Å; E321-T324 PolarHBondContact O-N 3.03Å; E322-T324 VanDerWaalsContact C-N 3.29Å; E322-T324 PolarHBondContact O-N 2.92Å; T324-E327 PolarHBondContact O-N 3.43Å; T324-L328 HydrophobicContact CG2-CD1 4.35Å; T324-L328 VanDerWaalsContact O-CG 3.25Å; T324-L328 WeakPolarHBondContact O-CG 3.29Å; T324-L328 PolarHBondContact O-N 2.83Å; T324-I425 HydrophobicContact CG2-CG1 4.11Å; T324-I428 HydrophobicContact CG2-CB 4.21Å; T324-I428 HydrophobicContact CG2-CD1 4.26Å; T324-I428 HydrophobicContact CG2-CG2 4.12Å
325	K	96.5	Very high	93.3	Very high	13 Å²	13	43.7 Å²	43.7	6%	0.057	21%	0.207	C	C	.	.	H	α-helix	trans	-68.1	-38	176.1	-68	179.1	-73.2	168.8	0	112.2	I320 E321 E322 K323 L328 L329 D346 F349	I320-K325 HydrophobicContact CB-CG 4.46Å; I320-K325 HydrophobicContact CG2-CG 4.09Å; I320-K325 WeakPolarHBondContact O-CE 3.47Å; E321-K325 PolarHBondContact O-N 3.33Å; E322-K325 PolarHBondContact O-N 3.42Å; K323-K325 VanDerWaalsContact C-N 3.32Å; K323-K325 PolarHBondContact O-N 3.43Å; K325-L328 PolarHBondContact O-N 2.93Å; K325-L329 WeakPolarHBondContact O-CB 3.43Å; K325-L329 PolarHBondContact O-N 2.76Å; K325-D346 IonicContact NZ-OD2 3.95Å; K325-D346 PolarHBondContact NZ-OD2 2.95Å; K325-F349 HydrophobicContact CB-CD2 3.9Å; K325-F349 HydrophobicContact CB-CE1 4.41Å; K325-F349 HydrophobicContact CB-CE2 3.42Å; K325-F349 VanDerWaalsContact CB-CE2 3.42Å; K325-F349 HydrophobicContact CB-CZ 3.71Å; K325-F349 HydrophobicContact CD-CD2 4.08Å; K325-F349 HydrophobicContact CD-CE2 4.46Å; K325-F349 HydrophobicContact CD-CG 4.21Å
326	V	97.7	Very high	94.3	Very high	52 Å²	52	47.6 Å²	47.6	32%	0.315	23%	0.232	S	C	.	.	H	α-helix	trans	-62.6	-46.9	174.2	173.6	0	0	0	0	110.7	E322 K323 L328 L329 E330 F349 H353	E322-V326 HydrophobicContact CG-CG2 4.49Å; E322-V326 WeakPolarHBondContact O-CG2 3.39Å; E322-V326 PolarHBondContact O-N 2.95Å; K323-V326 PolarHBondContact O-N 3.25Å; V326-L328 VanDerWaalsContact C-N 3.3Å; V326-L328 PolarHBondContact O-N 3.01Å; V326-L329 PolarHBondContact O-N 3.09Å; V326-L329 VanDerWaalsContact O-N 3.17Å; V326-E330 PolarHBondContact O-N 3.09Å; V326-F349 HydrophobicContact CG2-CE2 4.06Å; V326-H353 WeakPolarHBondContact CG2-NE2 3.42Å
327	E	98.2	Very high	95	Very high	39 Å²	39	47.3 Å²	47.3	18%	0.182	23%	0.232	C	C	.	.	H	α-helix	trans	-61.8	-37.5	177.7	-63.1	-84.8	-179.8	0	0	112	K323 T324 A331 I428 T429 A430	K323-E327 HydrophobicContact CG-CG 4.37Å; K323-E327 WeakPolarHBondContact O-CG 3.44Å; K323-E327 PolarHBondContact O-N 3.09Å; T324-E327 PolarHBondContact O-N 3.43Å; E327-A331 WeakPolarHBondContact O-CB 3.42Å; E327-A331 PolarHBondContact O-N 2.8Å; E327-I428 HydrophobicContact CB-CG2 4.5Å; E327-T429 WeakPolarHBondContact OE2-CA 3.41Å; E327-T429 WeakPolarHBondContact OE2-CB 3.24Å; E327-A430 WeakPolarHBondContact O-CA 3.3Å; E327-A430 PolarHBondContact OE2-N 2.91Å
328	L	98.1	Very high	95.7	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-45.8	172.8	-73.5	168.9	0	0	0	112	F309 T324 K325 V326 E330 A331 F332 W342 I428 M433	F309-L328 HydrophobicContact CD2-CD2 4.47Å; F309-L328 HydrophobicContact CE1-CD1 4.45Å; F309-L328 HydrophobicContact CE2-CD1 3.8Å; F309-L328 HydrophobicContact CE2-CD2 3.76Å; F309-L328 HydrophobicContact CE2-CG 4.43Å; F309-L328 HydrophobicContact CZ-CD1 3.57Å; F309-L328 HydrophobicContact CZ-CD2 4.39Å; T324-L328 HydrophobicContact CG2-CD1 4.35Å; T324-L328 VanDerWaalsContact O-CG 3.25Å; T324-L328 WeakPolarHBondContact O-CG 3.29Å; T324-L328 PolarHBondContact O-N 2.83Å; K325-L328 PolarHBondContact O-N 2.93Å; V326-L328 VanDerWaalsContact C-N 3.3Å; V326-L328 PolarHBondContact O-N 3.01Å; L328-E330 VanDerWaalsContact C-N 3.34Å; L328-E330 PolarHBondContact O-N 3.41Å; L328-A331 WeakPolarHBondContact O-CB 3.43Å; L328-A331 PolarHBondContact O-N 2.93Å; L328-F332 HydrophobicContact CB-CE2 4.24Å; L328-F332 HydrophobicContact CB-CZ 4.31Å; L328-F332 HydrophobicContact CD2-CZ 4.31Å; L328-F332 WeakPolarHBondContact O-CB 3.3Å; L328-F332 WeakPolarHBondContact O-CD1 3.44Å; L328-F332 VanDerWaalsContact O-CD2 3.32Å; L328-F332 WeakPolarHBondContact O-CD2 3.46Å; L328-F332 WeakPolarHBondContact O-CG 3.45Å; L328-F332 PolarHBondContact O-N 2.83Å; L328-W342 HydrophobicContact CB-CH2 4.26Å; L328-W342 HydrophobicContact CB-CZ2 4.41Å; L328-W342 HydrophobicContact CD1-CZ2 4.42Å; L328-I428 HydrophobicContact CD2-CG2 3.97Å; L328-I428 HydrophobicContact CG-CG2 4.11Å; L328-M433 HydrophobicContact CD2-CE 3.54Å; L328-M433 HydrophobicContact CD2-CG 4.28Å
329	L	98.3	Very high	96.4	Very high	9 Å²	9	44.3 Å²	44.3	5%	0.047	22%	0.216	C	C	.	.	H	α-helix	trans	-60.9	-44.4	177.7	177.2	58.4	0	0	0	111.2	K325 V326 F332 Q333 W342 F349 H353 L355	K325-L329 WeakPolarHBondContact O-CB 3.43Å; K325-L329 PolarHBondContact O-N 2.76Å; V326-L329 PolarHBondContact O-N 3.09Å; V326-L329 VanDerWaalsContact O-N 3.17Å; L329-F332 PolarHBondContact O-N 3Å; L329-Q333 WeakPolarHBondContact O-CG 3.34Å; L329-Q333 PolarHBondContact O-N 3.13Å; L329-W342 HydrophobicContact CB-CH2 4.37Å; L329-W342 HydrophobicContact CB-CZ3 4.09Å; L329-W342 HydrophobicContact CD1-CZ3 4.27Å; L329-F349 HydrophobicContact CB-CZ 4.45Å; L329-F349 HydrophobicContact CD2-CE1 4.47Å; L329-F349 HydrophobicContact CD2-CZ 4.21Å; L329-H353 HydrophobicContact CD2-CB 4.02Å; L329-L355 HydrophobicContact CD1-CD2 3.62Å; L329-L355 HydrophobicContact CD2-CD2 4.33Å
330	E	98.4	Very high	97	Very high	78 Å²	78	43 Å²	43	36%	0.364	21%	0.209	S	C	.	.	H	α-helix	trans	-62.3	-44.3	176.1	-171.9	-176.3	153	0	0	111.2	V326 L328 F332 Q333 R334 A430	V326-E330 PolarHBondContact O-N 3.09Å; L328-E330 VanDerWaalsContact C-N 3.34Å; L328-E330 PolarHBondContact O-N 3.41Å; E330-F332 VanDerWaalsContact C-N 3.32Å; E330-F332 PolarHBondContact O-N 3.14Å; E330-Q333 WeakPolarHBondContact O-CB 3.35Å; E330-Q333 PolarHBondContact O-N 2.97Å; E330-R334 WeakPolarHBondContact O-CG 3.41Å; E330-R334 PolarHBondContact O-N 3.49Å; E330-R334 IonicContact OE1-CZ 3.09Å; E330-R334 IonicContact OE1-NE 3.05Å; E330-R334 IonicContact OE1-NH2 3.41Å; E330-R334 PolarHBondContact OE1-NH2 3.05Å; E330-A430 HydrophobicContact CB-CB 3.89Å; E330-A430 HydrophobicContact CG-CB 3.84Å
331	A	98.6	Very high	97.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.3	-45.5	173.5	0	0	0	0	0	111.7	E327 L328 Q333 R334 F335 M433	E327-A331 WeakPolarHBondContact O-CB 3.42Å; E327-A331 PolarHBondContact O-N 2.8Å; L328-A331 WeakPolarHBondContact O-CB 3.43Å; L328-A331 PolarHBondContact O-N 2.93Å; A331-Q333 VanDerWaalsContact C-N 3.31Å; A331-Q333 PolarHBondContact O-N 3.06Å; A331-R334 WeakPolarHBondContact O-CB 3.5Å; A331-R334 PolarHBondContact O-N 2.81Å; A331-R334 VanDerWaalsContact O-N 3.08Å; A331-F335 VanDerWaalsContact O-CD2 3.24Å; A331-F335 WeakPolarHBondContact O-CD2 3.32Å; A331-M433 HydrophobicContact CB-CB 3.74Å; A331-M433 HydrophobicContact CB-CG 3.73Å
332	F	98.6	Very high	97.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-33.5	179.8	-65.9	-16.1	0	0	0	113.2	F309 L328 L329 E330 R334 F335 I340 W342 H358 V359 I380 M437	F309-F332 HydrophobicContact CB-CZ 4.01Å; F309-F332 AromaticContact CD2-CZ 3.66Å; F309-F332 HydrophobicContact CD2-CZ 3.66Å; F309-F332 HydrophobicContact CE2-CZ 4.38Å; F309-F332 AromaticContact CG-CZ 3.99Å; F309-F332 HydrophobicContact CG-CZ 3.99Å; L328-F332 HydrophobicContact CB-CE2 4.24Å; L328-F332 HydrophobicContact CB-CZ 4.31Å; L328-F332 HydrophobicContact CD2-CZ 4.31Å; L328-F332 WeakPolarHBondContact O-CB 3.3Å; L328-F332 WeakPolarHBondContact O-CD1 3.44Å; L328-F332 VanDerWaalsContact O-CD2 3.32Å; L328-F332 WeakPolarHBondContact O-CD2 3.46Å; L328-F332 WeakPolarHBondContact O-CG 3.45Å; L328-F332 PolarHBondContact O-N 2.83Å; L329-F332 PolarHBondContact O-N 3Å; E330-F332 VanDerWaalsContact C-N 3.32Å; E330-F332 PolarHBondContact O-N 3.14Å; F332-R334 PolarHBondContact O-N 2.85Å; F332-F335 PolarHBondContact O-N 2.85Å; F332-I340 HydrophobicContact CB-CD1 3.45Å; F332-I340 VanDerWaalsContact CB-CD1 3.45Å; F332-I340 HydrophobicContact CB-CG2 4.48Å; F332-I340 HydrophobicContact CD1-CD1 4.02Å; F332-I340 HydrophobicContact CD1-CG2 4.33Å; F332-I340 HydrophobicContact CD2-CG2 3.98Å; F332-I340 HydrophobicContact CE2-CG2 4.3Å; F332-I340 HydrophobicContact CG-CD1 3.84Å; F332-I340 HydrophobicContact CG-CG2 4.01Å; F332-I340 VanDerWaalsContact O-CD1 3.31Å; F332-I340 WeakPolarHBondContact O-CD1 3.38Å; F332-W342 HydrophobicContact CD2-CD2 4.34Å; F332-W342 AromaticContact CD2-CE3 3.79Å; F332-W342 HydrophobicContact CD2-CE3 3.79Å; F332-W342 AromaticContact CD2-CZ3 3.98Å; F332-W342 HydrophobicContact CD2-CZ3 3.98Å; F332-W342 AromaticContact CE2-CD2 3.75Å; F332-W342 HydrophobicContact CE2-CD2 3.75Å; F332-W342 AromaticContact CE2-CE3 3.66Å; F332-W342 HydrophobicContact CE2-CE3 3.66Å; F332-W342 HydrophobicContact CE2-CG 4.27Å; F332-W342 HydrophobicContact CE2-CH2 4.35Å; F332-W342 HydrophobicContact CE2-CZ2 4.45Å; F332-W342 AromaticContact CE2-CZ3 3.97Å; F332-W342 HydrophobicContact CE2-CZ3 3.97Å; F332-H358 PolarHBondContact O-NE2 2.86Å; F332-V359 HydrophobicContact CB-CG2 3.99Å; F332-I380 HydrophobicContact CE1-CD1 3.88Å; F332-I380 HydrophobicContact CZ-CD1 4.4Å; F332-M437 HydrophobicContact CD1-CE 4.24Å; F332-M437 HydrophobicContact CD1-SD 4.29Å; F332-M437 HydrophobicContact CE1-SD 4.31Å
333	Q	98.1	Very high	97.7	Very high	93 Å²	93	35 Å²	35	44%	0.435	17%	0.171	S	C	.	.	H	α-helix	trans	-63.4	-24.9	174.1	-74.9	171.3	-20.9	0	0	112.9	L329 E330 A331 F335 P356	L329-Q333 WeakPolarHBondContact O-CG 3.34Å; L329-Q333 PolarHBondContact O-N 3.13Å; E330-Q333 WeakPolarHBondContact O-CB 3.35Å; E330-Q333 PolarHBondContact O-N 2.97Å; A331-Q333 VanDerWaalsContact C-N 3.31Å; A331-Q333 PolarHBondContact O-N 3.06Å; Q333-F335 PolarHBondContact O-N 3.38Å; Q333-P356 HydrophobicContact CG-CB 4.43Å; Q333-P356 HydrophobicContact CG-CG 3.84Å
334	R	98.2	Very high	97.6	Very high	66 Å²	66	28.4 Å²	28.4	25%	0.249	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-0.7	178.6	-56.7	177.5	-169.8	-176	-0.4	114	E330 A331 F332 P336 D431 E434	E330-R334 WeakPolarHBondContact O-CG 3.41Å; E330-R334 PolarHBondContact O-N 3.49Å; E330-R334 IonicContact OE1-CZ 3.09Å; E330-R334 IonicContact OE1-NE 3.05Å; E330-R334 IonicContact OE1-NH2 3.41Å; E330-R334 PolarHBondContact OE1-NH2 3.05Å; A331-R334 WeakPolarHBondContact O-CB 3.5Å; A331-R334 PolarHBondContact O-N 2.81Å; A331-R334 VanDerWaalsContact O-N 3.08Å; F332-R334 PolarHBondContact O-N 2.85Å; R334-P336 WeakPolarHBondContact O-CD 3.47Å; R334-D431 IonicContact CZ-OD1 2.93Å; R334-D431 IonicContact NH1-OD1 3.09Å; R334-D431 PolarHBondContact NH1-OD1 2.96Å; R334-D431 IonicContact NH2-OD1 2.76Å; R334-D431 PolarHBondContact NH2-OD1 3.29Å; R334-D431 VanDerWaalsContact NH2-OD1 3.13Å; R334-E434 WeakPolarHBondContact CD-OE2 3.13Å; R334-E434 IonicContact CZ-OE2 2.68Å; R334-E434 IonicContact NE-OE2 3.33Å; R334-E434 IonicContact NH1-OE2 2.83Å; R334-E434 PolarHBondContact NH1-OE2 3.26Å
335	F	98.3	Very high	97.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.166	C	C	.	.			trans	-122.8	53.8	177.1	-63.7	-93.3	0	0	0	113	A331 F332 Q333 Q337 F338 I340 E434 M437 R438 L441	A331-F335 VanDerWaalsContact O-CD2 3.24Å; A331-F335 WeakPolarHBondContact O-CD2 3.32Å; F332-F335 PolarHBondContact O-N 2.85Å; Q333-F335 PolarHBondContact O-N 3.38Å; F335-Q337 PolarHBondContact O-N 2.82Å; F335-F338 HydrophobicContact CB-CD2 4.25Å; F335-F338 HydrophobicContact CD1-CD2 4.25Å; F335-F338 HydrophobicContact CD1-CE2 4.41Å; F335-F338 PolarHBondContact O-N 2.87Å; F335-F338 VanDerWaalsContact O-N 3.13Å; F335-I340 HydrophobicContact CB-CD1 4.48Å; F335-E434 HydrophobicContact CE2-CB 4.2Å; F335-E434 HydrophobicContact CE2-CG 3.91Å; F335-E434 HydrophobicContact CZ-CB 4.44Å; F335-E434 HydrophobicContact CZ-CG 3.86Å; F335-M437 HydrophobicContact CD1-CE 4.41Å; F335-M437 HydrophobicContact CD2-CE 3.52Å; F335-M437 HydrophobicContact CD2-SD 4.21Å; F335-M437 HydrophobicContact CE1-CB 4.03Å; F335-M437 HydrophobicContact CE1-CE 4.49Å; F335-M437 HydrophobicContact CE2-CB 3.89Å; F335-M437 HydrophobicContact CE2-CE 3.65Å; F335-M437 HydrophobicContact CE2-CG 4.48Å; F335-M437 HydrophobicContact CE2-SD 3.81Å; F335-M437 HydrophobicContact CG-CE 3.94Å; F335-M437 HydrophobicContact CZ-CB 3.43Å; F335-M437 VanDerWaalsContact CZ-CB 3.43Å; F335-M437 HydrophobicContact CZ-CE 4.14Å; F335-M437 HydrophobicContact CZ-CG 4.47Å; F335-M437 HydrophobicContact CZ-SD 4.36Å; F335-R438 HydrophobicContact CE1-CG 3.8Å; F335-R438 HydrophobicContact CZ-CG 3.73Å; F335-L441 HydrophobicContact CD1-CD1 3.95Å; F335-L441 HydrophobicContact CE1-CD1 3.86Å
336	P	97.5	Very high	97.1	Very high	86 Å²	86	32.7 Å²	32.7	56%	0.558	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-17.7	-175.5	29.6	-37.5	0	0	0	114.2	R334 F338	R334-P336 WeakPolarHBondContact O-CD 3.47Å; P336-F338 VanDerWaalsContact C-N 3.33Å
337	Q	97.3	Very high	96.8	Very high	79 Å²	79	34.5 Å²	34.5	37%	0.369	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-20.8	178.4	73.2	-82.2	23.1	0	0	113.4	N304 F335	N304-Q337 VanDerWaalsContact CB-O 3.23Å; N304-Q337 WeakPolarHBondContact CB-O 3.31Å; N304-Q337 PolarHBondContact ND2-O 2.87Å; F335-Q337 PolarHBondContact O-N 2.82Å
338	F	98.4	Very high	96.5	Very high	23 Å²	23	37.9 Å²	37.9	10%	0.101	20%	0.2	C	C	.	.	S	Bend	trans	-104.3	147.5	179.7	-66.7	-77.4	0	0	0	111	N304 I307 F335 P336 H358 K377 L441	N304-F338 HydrophobicContact CB-CD1 4.24Å; N304-F338 HydrophobicContact CB-CE1 4.32Å; N304-F338 VanDerWaalsContact O-CE1 3.3Å; N304-F338 WeakPolarHBondContact O-CE1 3.31Å; I307-F338 HydrophobicContact CD1-CB 3.8Å; I307-F338 HydrophobicContact CD1-CD2 3.96Å; I307-F338 HydrophobicContact CD1-CG 3.89Å; I307-F338 HydrophobicContact CG1-CB 4.02Å; I307-F338 HydrophobicContact CG1-CG 4.19Å; F335-F338 HydrophobicContact CB-CD2 4.25Å; F335-F338 HydrophobicContact CD1-CD2 4.25Å; F335-F338 HydrophobicContact CD1-CE2 4.41Å; F335-F338 PolarHBondContact O-N 2.87Å; F335-F338 VanDerWaalsContact O-N 3.13Å; P336-F338 VanDerWaalsContact C-N 3.33Å; F338-H358 PolarHBondContact O-CD2 3.13Å; F338-K377 HydrophobicContact CE1-CG 4.24Å; F338-L441 HydrophobicContact CD2-CD1 4.28Å; F338-L441 HydrophobicContact CE1-CD2 4.26Å; F338-L441 HydrophobicContact CE2-CD1 3.87Å; F338-L441 HydrophobicContact CE2-CD2 4.35Å; F338-L441 HydrophobicContact CZ-CD1 4.32Å; F338-L441 HydrophobicContact CZ-CD2 3.98Å
339	T	98.5	Very high	96.3	Very high	17 Å²	17	37.8 Å²	37.8	10%	0.104	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	127.5	165.9	-56.9	0	0	0	0	108.9	L298 S302 G305 I306 I307	L298-T339 HydrophobicContact CD1-CG2 3.88Å; L298-T339 HydrophobicContact CG-CG2 4.19Å; S302-T339 WeakPolarHBondContact CB-OG1 3.34Å; S302-T339 WeakPolarHBondContact OG-CB 3.42Å; S302-T339 WeakPolarHBondContact OG-CG2 3.25Å; S302-T339 PolarHBondContact OG-OG1 3.25Å; G305-T339 PolarHBondContact O-N 3Å; I306-T339 CarbonylContact C-O 3.57Å; I306-T339 VanDerWaalsContact CA-O 3.27Å; I306-T339 WeakPolarHBondContact CA-O 3.45Å; I307-T339 PolarHBondContact N-O 3.26Å
340	I	98.6	Very high	96.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	119.3	-179.9	-60.8	178.2	0	0	0	108.5	I307 F332 F335 H358 V359 H360	I307-I340 HydrophobicContact CB-CG1 4.28Å; I307-I340 CarbonylContact O-C 3.56Å; I307-I340 WeakPolarHBondContact O-CA 3.34Å; F332-I340 HydrophobicContact CB-CD1 3.45Å; F332-I340 VanDerWaalsContact CB-CD1 3.45Å; F332-I340 HydrophobicContact CB-CG2 4.48Å; F332-I340 HydrophobicContact CD1-CD1 4.02Å; F332-I340 HydrophobicContact CD1-CG2 4.33Å; F332-I340 HydrophobicContact CD2-CG2 3.98Å; F332-I340 HydrophobicContact CE2-CG2 4.3Å; F332-I340 HydrophobicContact CG-CD1 3.84Å; F332-I340 HydrophobicContact CG-CG2 4.01Å; F332-I340 VanDerWaalsContact O-CD1 3.31Å; F332-I340 WeakPolarHBondContact O-CD1 3.38Å; F335-I340 HydrophobicContact CB-CD1 4.48Å; I340-H358 PolarHBondContact N-O 3.09Å; I340-V359 HydrophobicContact CB-CB 4.43Å; I340-V359 HydrophobicContact CB-CG1 4.49Å; I340-V359 HydrophobicContact CB-CG2 3.93Å; I340-V359 HydrophobicContact CD1-CG2 4.03Å; I340-V359 HydrophobicContact CG1-CG2 4.42Å; I340-V359 HydrophobicContact CG2-CG1 4.29Å; I340-V359 HydrophobicContact CG2-CG2 4.34Å; I340-V359 WeakPolarHBondContact O-CA 3.36Å; I340-H360 PolarHBondContact O-N 3.41Å
341	V	98.3	Very high	95.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	107.7	176.7	175	0	0	0	0	108	W295 L298 I306 I307 I308 F309 F362 L365	W295-V341 HydrophobicContact CH2-CG1 4.07Å; W295-V341 HydrophobicContact CZ3-CG1 4Å; W295-V341 HydrophobicContact CZ3-CG2 4.44Å; L298-V341 HydrophobicContact CD2-CG2 3.65Å; I306-V341 HydrophobicContact CG2-CB 4.26Å; I306-V341 HydrophobicContact CG2-CG2 3.75Å; I307-V341 PolarHBondContact O-N 3.43Å; I308-V341 CarbonylContact C-O 3.58Å; I308-V341 WeakPolarHBondContact CA-O 3.2Å; I308-V341 HydrophobicContact CG1-CB 4.32Å; F309-V341 PolarHBondContact N-O 3.14Å; V341-F362 HydrophobicContact CG1-CD2 3.91Å; V341-F362 HydrophobicContact CG1-CE2 4.08Å; V341-L365 HydrophobicContact CG1-CD1 3.98Å; V341-L365 HydrophobicContact CG1-CD2 3.45Å; V341-L365 VanDerWaalsContact CG1-CD2 3.45Å; V341-L365 HydrophobicContact CG1-CG 4.37Å
342	W	97.5	Very high	95.6	Very high	3 Å²	3	50.2 Å²	50.2	1%	0.011	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	113.4	-176	-169.7	-5.7	0	0	0	110	F309 L328 L329 F332 L344 F349 L355 V359 H360 A361 F362	F309-W342 HydrophobicContact CB-CG 4.43Å; F309-W342 AromaticContact CD1-CD1 3.3Å; F309-W342 HydrophobicContact CD1-CG 4.3Å; F309-W342 AromaticContact CD1-NE1 3.27Å; F309-W342 VanDerWaalsContact CD1-NE1 3.27Å; F309-W342 AromaticContact CE1-CD1 4Å; F309-W342 AromaticContact CE1-NE1 3.48Å; F309-W342 AromaticContact CG-CD1 3.97Å; L328-W342 HydrophobicContact CB-CH2 4.26Å; L328-W342 HydrophobicContact CB-CZ2 4.41Å; L328-W342 HydrophobicContact CD1-CZ2 4.42Å; L329-W342 HydrophobicContact CB-CH2 4.37Å; L329-W342 HydrophobicContact CB-CZ3 4.09Å; L329-W342 HydrophobicContact CD1-CZ3 4.27Å; F332-W342 HydrophobicContact CD2-CD2 4.34Å; F332-W342 AromaticContact CD2-CE3 3.79Å; F332-W342 HydrophobicContact CD2-CE3 3.79Å; F332-W342 AromaticContact CD2-CZ3 3.98Å; F332-W342 HydrophobicContact CD2-CZ3 3.98Å; F332-W342 AromaticContact CE2-CD2 3.75Å; F332-W342 HydrophobicContact CE2-CD2 3.75Å; F332-W342 AromaticContact CE2-CE3 3.66Å; F332-W342 HydrophobicContact CE2-CE3 3.66Å; F332-W342 HydrophobicContact CE2-CG 4.27Å; F332-W342 HydrophobicContact CE2-CH2 4.35Å; F332-W342 HydrophobicContact CE2-CZ2 4.45Å; F332-W342 AromaticContact CE2-CZ3 3.97Å; F332-W342 HydrophobicContact CE2-CZ3 3.97Å; W342-L344 HydrophobicContact CD2-CB 4.21Å; W342-L344 HydrophobicContact CD2-CD2 3.92Å; W342-L344 HydrophobicContact CE3-CD2 4.03Å; W342-L344 HydrophobicContact CG-CB 4.01Å; W342-L344 HydrophobicContact CH2-CD2 4.17Å; W342-L344 HydrophobicContact CZ2-CD1 4.34Å; W342-L344 HydrophobicContact CZ2-CD2 4.04Å; W342-L344 HydrophobicContact CZ3-CD2 4.16Å; W342-L344 PolarHBondContact O-N 2.82Å; W342-L344 VanDerWaalsContact O-N 3.12Å; W342-F349 AromaticContact CH2-CE1 3.97Å; W342-F349 HydrophobicContact CH2-CE1 3.97Å; W342-F349 HydrophobicContact CH2-CZ 4.26Å; W342-F349 HydrophobicContact CZ3-CE1 4.27Å; W342-L355 HydrophobicContact CZ3-CD2 4.43Å; W342-V359 HydrophobicContact CE3-CG1 4.17Å; W342-H360 PolarHBondContact N-O 2.82Å; W342-A361 CarbonylContact O-C 3.59Å; W342-A361 VanDerWaalsContact O-CA 3.27Å; W342-A361 WeakPolarHBondContact O-CA 3.09Å; W342-F362 PolarHBondContact O-N 2.89Å
343	K	95.7	Very high	95.5	Very high	15 Å²	15	52.4 Å²	52.4	7%	0.065	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	106.6	164.5	-169.1	-92.3	171.9	-177.8	0	108.5	F309 G312 E317 F362 D363 L365	F309-K343 PolarHBondContact O-N 3.03Å; G312-K343 PolarHBondContact O-NZ 2.84Å; E317-K343 VanDerWaalsContact CD-NZ 3.25Å; E317-K343 WeakPolarHBondContact OE1-CD 3.04Å; E317-K343 WeakPolarHBondContact OE1-CE 2.9Å; E317-K343 IonicContact OE1-NZ 3.26Å; E317-K343 PolarHBondContact OE1-NZ 2.81Å; E317-K343 IonicContact OE2-NZ 3.58Å; E317-K343 PolarHBondContact OE2-NZ 3.31Å; E317-K343 VanDerWaalsContact OE2-NZ 3.07Å; K343-F362 CarbonylContact C-O 3.55Å; K343-F362 VanDerWaalsContact CA-O 3.27Å; K343-F362 WeakPolarHBondContact CA-O 3.47Å; K343-D363 VanDerWaalsContact CE-O 3.22Å; K343-D363 WeakPolarHBondContact CE-O 3.47Å; K343-L365 HydrophobicContact CB-CD1 3.93Å; K343-L365 HydrophobicContact CB-CG 4.01Å; K343-L365 HydrophobicContact CG-CG 4.37Å
344	L	94	Very high	95.3	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.026	29%	0.287	C	S	.	.			trans	-146.9	101.2	-173.8	178.2	59.7	0	0	0	110.4	E317 W342 D346 F349 L350 A361 F362	E317-L344 HydrophobicContact CB-CD1 3.79Å; E317-L344 HydrophobicContact CG-CD1 3.9Å; W342-L344 HydrophobicContact CD2-CB 4.21Å; W342-L344 HydrophobicContact CD2-CD2 3.92Å; W342-L344 HydrophobicContact CE3-CD2 4.03Å; W342-L344 HydrophobicContact CG-CB 4.01Å; W342-L344 HydrophobicContact CH2-CD2 4.17Å; W342-L344 HydrophobicContact CZ2-CD1 4.34Å; W342-L344 HydrophobicContact CZ2-CD2 4.04Å; W342-L344 HydrophobicContact CZ3-CD2 4.16Å; W342-L344 PolarHBondContact O-N 2.82Å; W342-L344 VanDerWaalsContact O-N 3.12Å; L344-D346 HydrophobicContact CD1-CB 3.84Å; L344-F349 HydrophobicContact CD2-CD1 3.83Å; L344-F349 HydrophobicContact CD2-CE1 4.12Å; L344-L350 HydrophobicContact CD2-CD2 3.75Å; L344-L350 HydrophobicContact CD2-CG 4.21Å; L344-L350 HydrophobicContact CG-CD2 4.5Å; L344-A361 HydrophobicContact CB-CB 4.18Å; L344-A361 HydrophobicContact CD2-CB 4.39Å; L344-F362 PolarHBondContact N-O 3.41Å
345	D	89.3	Confident	95.3	Very high	108 Å²	108	52.9 Å²	52.9	58%	0.578	29%	0.285	S	S	*	.			trans	-103.6	66.9	174.3	-173.8	18.2	0	0	0	109.8
346	D	91.6	Very high	95.2	Very high	10 Å²	10	54 Å²	54	5%	0.053	29%	0.292	C	S	.	.			trans	-138.2	86.9	178.2	-168	-22.1	0	0	0	111	E317 N318 K325 L344 N348 F349 L350	E317-D346 HydrophobicContact CB-CB 4.2Å; N318-D346 WeakPolarHBondContact CA-OD2 3.46Å; K325-D346 IonicContact NZ-OD2 3.95Å; K325-D346 PolarHBondContact NZ-OD2 2.95Å; L344-D346 HydrophobicContact CD1-CB 3.84Å; D346-N348 PolarHBondContact O-N 2.82Å; D346-N348 PolarHBondContact OD1-N 3.08Å; D346-F349 HydrophobicContact CB-CB 4.02Å; D346-F349 PolarHBondContact O-N 3.36Å; D346-F349 PolarHBondContact OD1-N 2.89Å; D346-F349 VanDerWaalsContact OD1-N 3.11Å; D346-L350 WeakPolarHBondContact O-CG 3.35Å; D346-L350 PolarHBondContact O-N 2.8Å
347	S	90.5	Very high	95.1	Very high	89 Å²	89	55.7 Å²	55.7	62%	0.622	30%	0.303	S	S	*	.	H	α-helix	trans	-59.2	-29.6	179.9	60.7	0	0	0	0	114.2	K351	S347-K351 VanDerWaalsContact O-CB 3.3Å; S347-K351 WeakPolarHBondContact O-CB 3.42Å; S347-K351 PolarHBondContact O-N 2.85Å
348	N	92.4	Very high	95.1	Very high	110 Å²	110	53.4 Å²	53.4	59%	0.588	29%	0.292	S	S	*	.	H	α-helix	trans	-70	-49	177.6	-68.7	-23.4	0	0	0	109.6	D346 L350 K351 D352	D346-N348 PolarHBondContact O-N 2.82Å; D346-N348 PolarHBondContact OD1-N 3.08Å; N348-L350 VanDerWaalsContact C-N 3.33Å; N348-L350 PolarHBondContact O-N 3.31Å; N348-K351 WeakPolarHBondContact O-CB 3.5Å; N348-K351 PolarHBondContact O-N 3.47Å; N348-K351 VanDerWaalsContact O-N 3.13Å; N348-D352 PolarHBondContact O-N 2.96Å; N348-D352 VanDerWaalsContact O-N 3.07Å
349	F	94.2	Very high	95.1	Very high	3 Å²	3	52.6 Å²	52.6	1%	0.013	29%	0.289	C	S	.	.	H	α-helix	trans	-59.5	-44.1	177.5	-176.6	-94.5	0	0	0	112.4	E322 K325 V326 L329 W342 L344 D346 K351 D352 H353	E322-F349 HydrophobicContact CG-CD2 4.28Å; K325-F349 HydrophobicContact CB-CD2 3.9Å; K325-F349 HydrophobicContact CB-CE1 4.41Å; K325-F349 HydrophobicContact CB-CE2 3.42Å; K325-F349 VanDerWaalsContact CB-CE2 3.42Å; K325-F349 HydrophobicContact CB-CZ 3.71Å; K325-F349 HydrophobicContact CD-CD2 4.08Å; K325-F349 HydrophobicContact CD-CE2 4.46Å; K325-F349 HydrophobicContact CD-CG 4.21Å; V326-F349 HydrophobicContact CG2-CE2 4.06Å; L329-F349 HydrophobicContact CB-CZ 4.45Å; L329-F349 HydrophobicContact CD2-CE1 4.47Å; L329-F349 HydrophobicContact CD2-CZ 4.21Å; W342-F349 AromaticContact CH2-CE1 3.97Å; W342-F349 HydrophobicContact CH2-CE1 3.97Å; W342-F349 HydrophobicContact CH2-CZ 4.26Å; W342-F349 HydrophobicContact CZ3-CE1 4.27Å; L344-F349 HydrophobicContact CD2-CD1 3.83Å; L344-F349 HydrophobicContact CD2-CE1 4.12Å; D346-F349 HydrophobicContact CB-CB 4.02Å; D346-F349 PolarHBondContact O-N 3.36Å; D346-F349 PolarHBondContact OD1-N 2.89Å; D346-F349 VanDerWaalsContact OD1-N 3.11Å; F349-K351 VanDerWaalsContact C-N 3.26Å; F349-K351 PolarHBondContact O-N 2.94Å; F349-D352 PolarHBondContact O-N 2.87Å; F349-H353 AromaticContact CD2-ND1 3.65Å; F349-H353 HydrophobicContact CE1-CB 4.26Å; F349-H353 AromaticContact CE2-CE1 3.85Å; F349-H353 AromaticContact CE2-CG 3.93Å; F349-H353 AromaticContact CE2-ND1 3.63Å; F349-H353 HydrophobicContact CZ-CB 4.25Å; F349-H353 WeakPolarHBondContact O-CB 3.38Å; F349-H353 PolarHBondContact O-N 2.83Å; F349-H353 PolarHBondContact O-ND1 2.91Å
350	L	93.6	Very high	95	Very high	66 Å²	66	54.5 Å²	54.5	35%	0.346	30%	0.297	S	S	.	.	H	α-helix	trans	-68.4	-23.6	178.8	-68.9	174.9	0	0	0	113.5	L344 D346 N348 L355 A361	L344-L350 HydrophobicContact CD2-CD2 3.75Å; L344-L350 HydrophobicContact CD2-CG 4.21Å; L344-L350 HydrophobicContact CG-CD2 4.5Å; D346-L350 WeakPolarHBondContact O-CG 3.35Å; D346-L350 PolarHBondContact O-N 2.8Å; N348-L350 VanDerWaalsContact C-N 3.33Å; N348-L350 PolarHBondContact O-N 3.31Å; L350-L355 HydrophobicContact CD2-CD1 3.68Å; L350-L355 HydrophobicContact CD2-CD2 4.41Å; L350-L355 HydrophobicContact CD2-CG 4.1Å; L350-A361 HydrophobicContact CD1-CB 4.31Å; L350-A361 HydrophobicContact CD2-CB 3.93Å
351	K	93.4	Very high	94.9	Very high	174 Å²	174	56 Å²	56	76%	0.757	31%	0.31	S	S	*	.	H	α-helix	trans	-75.8	-38.7	173.1	-177.6	-177.6	175.8	-174.1	0	111.3	S347 N348 F349	S347-K351 VanDerWaalsContact O-CB 3.3Å; S347-K351 WeakPolarHBondContact O-CB 3.42Å; S347-K351 PolarHBondContact O-N 2.85Å; N348-K351 WeakPolarHBondContact O-CB 3.5Å; N348-K351 PolarHBondContact O-N 3.47Å; N348-K351 VanDerWaalsContact O-N 3.13Å; F349-K351 VanDerWaalsContact C-N 3.26Å; F349-K351 PolarHBondContact O-N 2.94Å
352	D	94.8	Very high	94.7	Very high	107 Å²	107	57.4 Å²	57.4	57%	0.572	32%	0.316	S	S	*	.	H	α-helix	trans	-87.4	-16.5	-174	-61.2	-26.3	0	0	0	112.8	N348 F349	N348-D352 PolarHBondContact O-N 2.96Å; N348-D352 VanDerWaalsContact O-N 3.07Å; F349-D352 PolarHBondContact O-N 2.87Å
353	H	95.6	Very high	94.4	Very high	46 Å²	46	61.9 Å²	61.9	21%	0.213	34%	0.34	C	S	.	.	S	Bend	trans	-130.1	129.8	-177	-60.8	78.4	0	0	0	112.4	E322 V326 L329 F349	E322-H353 IonicContact OE1-CE1 3.93Å; E322-H353 PolarHBondContact OE1-CE1 2.87Å; V326-H353 WeakPolarHBondContact CG2-NE2 3.42Å; L329-H353 HydrophobicContact CD2-CB 4.02Å; F349-H353 AromaticContact CD2-ND1 3.65Å; F349-H353 HydrophobicContact CE1-CB 4.26Å; F349-H353 AromaticContact CE2-CE1 3.85Å; F349-H353 AromaticContact CE2-CG 3.93Å; F349-H353 AromaticContact CE2-ND1 3.63Å; F349-H353 HydrophobicContact CZ-CB 4.25Å; F349-H353 WeakPolarHBondContact O-CB 3.38Å; F349-H353 PolarHBondContact O-N 2.83Å; F349-H353 PolarHBondContact O-ND1 2.91Å
354	T	94.2	Very high	94.1	Very high	130 Å²	130	65.1 Å²	65.1	80%	0.798	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-85	123.2	174	-57.8	0	0	0	0	110.5
355	L	96.9	Very high	94.1	Very high	40 Å²	40	65.2 Å²	65.2	21%	0.209	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-78.2	137.9	174.4	-58.5	-178.1	0	0	0	110.7	L329 W342 L350 V359 A361	L329-L355 HydrophobicContact CD1-CD2 3.62Å; L329-L355 HydrophobicContact CD2-CD2 4.33Å; W342-L355 HydrophobicContact CZ3-CD2 4.43Å; L350-L355 HydrophobicContact CD2-CD1 3.68Å; L350-L355 HydrophobicContact CD2-CD2 4.41Å; L350-L355 HydrophobicContact CD2-CG 4.1Å; L355-V359 HydrophobicContact CD1-CG1 4.43Å; L355-V359 HydrophobicContact CD2-CG1 4.31Å; L355-A361 HydrophobicContact CD1-CB 3.58Å
356	P	96.5	Very high	94.2	Very high	22 Å²	22	61.3 Å²	61.3	14%	0.143	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-67.4	157.8	173	33.4	-39.3	0	0	0	110.8	Q333 H358 V359	Q333-P356 HydrophobicContact CG-CB 4.43Å; Q333-P356 HydrophobicContact CG-CG 3.84Å; P356-H358 VanDerWaalsContact CG-CE1 3.49Å; P356-H358 WeakPolarHBondContact CG-CE1 3.33Å; P356-H358 PolarHBondContact O-N 2.01Å; P356-V359 HydrophobicContact CG-CB 3.83Å; P356-V359 HydrophobicContact CG-CG2 3.44Å; P356-V359 VanDerWaalsContact CG-CG2 3.44Å; P356-V359 PolarHBondContact O-N 2.72Å
357	P	95.9	Very high	94.3	Very high	123 Å²	123	62 Å²	62	80%	0.799	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.1	-171.1	-26.6	35	0	0	0	116	H360	P357-H360 PolarHBondContact O-CE1 3.13Å; P357-H360 PolarHBondContact O-NE2 3.08Å
358	H	97.1	Very high	94.4	Very high	31 Å²	31	59.1 Å²	59.1	14%	0.144	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-5.1	178.8	66	-71.7	0	0	0	113.6	F332 F338 I340 P356	F332-H358 PolarHBondContact O-NE2 2.86Å; F338-H358 PolarHBondContact O-CD2 3.13Å; I340-H358 PolarHBondContact N-O 3.09Å; P356-H358 VanDerWaalsContact CG-CE1 3.49Å; P356-H358 WeakPolarHBondContact CG-CE1 3.33Å; P356-H358 PolarHBondContact O-N 2.01Å
359	V	98.1	Very high	94.4	Very high	6 Å²	6	55.4 Å²	55.4	4%	0.036	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	116.2	177.8	178.9	0	0	0	0	109.1	F332 I340 W342 L355 P356	F332-V359 HydrophobicContact CB-CG2 3.99Å; I340-V359 HydrophobicContact CB-CB 4.43Å; I340-V359 HydrophobicContact CB-CG1 4.49Å; I340-V359 HydrophobicContact CB-CG2 3.93Å; I340-V359 HydrophobicContact CD1-CG2 4.03Å; I340-V359 HydrophobicContact CG1-CG2 4.42Å; I340-V359 HydrophobicContact CG2-CG1 4.29Å; I340-V359 HydrophobicContact CG2-CG2 4.34Å; I340-V359 WeakPolarHBondContact O-CA 3.36Å; W342-V359 HydrophobicContact CE3-CG1 4.17Å; L355-V359 HydrophobicContact CD1-CG1 4.43Å; L355-V359 HydrophobicContact CD2-CG1 4.31Å; P356-V359 HydrophobicContact CG-CB 3.83Å; P356-V359 HydrophobicContact CG-CG2 3.44Å; P356-V359 VanDerWaalsContact CG-CG2 3.44Å; P356-V359 PolarHBondContact O-N 2.72Å
360	H	97.1	Very high	94.4	Very high	56 Å²	56	55.2 Å²	55.2	26%	0.259	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.1	-176.9	-55.3	-92.2	0	0	0	110	I340 W342 P357 F362	I340-H360 PolarHBondContact O-N 3.41Å; W342-H360 PolarHBondContact N-O 2.82Å; P357-H360 PolarHBondContact O-CE1 3.13Å; P357-H360 PolarHBondContact O-NE2 3.08Å; H360-F362 HydrophobicContact CB-CD2 4.29Å; H360-F362 HydrophobicContact CB-CE2 3.45Å; H360-F362 VanDerWaalsContact CB-CE2 3.45Å; H360-F362 HydrophobicContact CB-CZ 3.99Å
361	A	96.2	Very high	94.5	Very high	33 Å²	33	52.4 Å²	52.4	27%	0.273	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	135.6	176	0	0	0	0	0	111.6	W342 L344 L350 L355	W342-A361 CarbonylContact O-C 3.59Å; W342-A361 VanDerWaalsContact O-CA 3.27Å; W342-A361 WeakPolarHBondContact O-CA 3.09Å; L344-A361 HydrophobicContact CB-CB 4.18Å; L344-A361 HydrophobicContact CD2-CB 4.39Å; L350-A361 HydrophobicContact CD1-CB 4.31Å; L350-A361 HydrophobicContact CD2-CB 3.93Å; L355-A361 HydrophobicContact CD1-CB 3.58Å
362	F	94.3	Very high	94.4	Very high	29 Å²	29	48.4 Å²	48.4	13%	0.127	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	148.3	177	-61	-88.1	0	0	0	111	W295 L298 V341 W342 K343 L344 H360 L365	W295-F362 HydrophobicContact CH2-CB 4.48Å; W295-F362 AromaticContact CH2-CD1 3.8Å; W295-F362 HydrophobicContact CH2-CD1 3.8Å; W295-F362 AromaticContact CH2-CD2 3.56Å; W295-F362 HydrophobicContact CH2-CD2 3.56Å; W295-F362 AromaticContact CH2-CE1 3.79Å; W295-F362 HydrophobicContact CH2-CE1 3.79Å; W295-F362 AromaticContact CH2-CE2 3.52Å; W295-F362 HydrophobicContact CH2-CE2 3.52Å; W295-F362 AromaticContact CH2-CG 3.68Å; W295-F362 HydrophobicContact CH2-CG 3.68Å; W295-F362 AromaticContact CH2-CZ 3.65Å; W295-F362 HydrophobicContact CH2-CZ 3.65Å; W295-F362 AromaticContact CZ2-CD1 3.78Å; W295-F362 HydrophobicContact CZ2-CD1 3.78Å; W295-F362 HydrophobicContact CZ2-CD2 4.35Å; W295-F362 AromaticContact CZ2-CE1 3.89Å; W295-F362 HydrophobicContact CZ2-CE1 3.89Å; W295-F362 HydrophobicContact CZ2-CE2 4.42Å; W295-F362 HydrophobicContact CZ2-CG 4.02Å; W295-F362 HydrophobicContact CZ2-CZ 4.21Å; W295-F362 HydrophobicContact CZ3-CD2 4.28Å; W295-F362 HydrophobicContact CZ3-CE1 4.42Å; W295-F362 AromaticContact CZ3-CE2 3.82Å; W295-F362 HydrophobicContact CZ3-CE2 3.82Å; W295-F362 AromaticContact CZ3-CZ 3.91Å; W295-F362 HydrophobicContact CZ3-CZ 3.91Å; L298-F362 HydrophobicContact CD2-CE2 4.43Å; L298-F362 HydrophobicContact CD2-CZ 4.4Å; V341-F362 HydrophobicContact CG1-CD2 3.91Å; V341-F362 HydrophobicContact CG1-CE2 4.08Å; W342-F362 PolarHBondContact O-N 2.89Å; K343-F362 CarbonylContact C-O 3.55Å; K343-F362 VanDerWaalsContact CA-O 3.27Å; K343-F362 WeakPolarHBondContact CA-O 3.47Å; L344-F362 PolarHBondContact N-O 3.41Å; H360-F362 HydrophobicContact CB-CD2 4.29Å; H360-F362 HydrophobicContact CB-CE2 3.45Å; H360-F362 VanDerWaalsContact CB-CE2 3.45Å; H360-F362 HydrophobicContact CB-CZ 3.99Å; F362-L365 HydrophobicContact CB-CD2 3.7Å; F362-L365 HydrophobicContact CD2-CD2 4Å; F362-L365 HydrophobicContact CG-CD2 4.09Å
363	D	90.1	Very high	94.3	Very high	96 Å²	96	45.3 Å²	45.3	51%	0.513	25%	0.248	S	C	.	.	S	Bend	trans	-72.6	-34.2	173.5	69.5	-34.5	0	0	0	111.9	K343	K343-D363 VanDerWaalsContact CE-O 3.22Å; K343-D363 WeakPolarHBondContact CE-O 3.47Å
364	W	90.5	Very high	94.2	Very high	84 Å²	84	46 Å²	46	32%	0.318	27%	0.268	S	S	.	.			trans	-146.4	142	-179.5	-169.5	-98	0	0	0	112.6	R37 M41	R37-W364 HydrophobicContact CG-CH2 4.26Å; R37-W364 VanDerWaalsContact CZ-CE2 3.44Å; R37-W364 VanDerWaalsContact NH1-CE3 3.34Å; M41-W364 HydrophobicContact CE-CH2 3.9Å; M41-W364 HydrophobicContact CE-CZ2 3.91Å; M41-W364 HydrophobicContact SD-CZ2 4.16Å
365	L	93.1	Very high	94.3	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.037	25%	0.245	C	C	.	.			trans	-109.6	139.4	-179.4	-53.5	-176.6	0	0	0	111.3	W295 I308 V341 K343 F362 Q367 L370	W295-L365 HydrophobicContact CH2-CD2 3.63Å; W295-L365 HydrophobicContact CZ2-CD2 4.24Å; I308-L365 HydrophobicContact CG2-CD1 3.54Å; V341-L365 HydrophobicContact CG1-CD1 3.98Å; V341-L365 HydrophobicContact CG1-CD2 3.45Å; V341-L365 VanDerWaalsContact CG1-CD2 3.45Å; V341-L365 HydrophobicContact CG1-CG 4.37Å; K343-L365 HydrophobicContact CB-CD1 3.93Å; K343-L365 HydrophobicContact CB-CG 4.01Å; K343-L365 HydrophobicContact CG-CG 4.37Å; F362-L365 HydrophobicContact CB-CD2 3.7Å; F362-L365 HydrophobicContact CD2-CD2 4Å; F362-L365 HydrophobicContact CG-CD2 4.09Å; L365-Q367 PolarHBondContact O-N 2.74Å; L365-L370 HydrophobicContact CB-CD1 4.47Å
366	P	92.6	Very high	94.4	Very high	26 Å²	26	41.9 Å²	41.9	17%	0.169	24%	0.238	C	C	.	.			trans	-75.1	61.4	161.4	34.2	-33.9	0	0	0	109.4	L291 W295 R368 Q369 L370	L291-P366 HydrophobicContact CD2-CB 3.75Å; L291-P366 HydrophobicContact CD2-CG 3.55Å; W295-P366 HydrophobicContact CD2-CG 3.7Å; W295-P366 VanDerWaalsContact CE2-CG 3.48Å; W295-P366 HydrophobicContact CE3-CG 4.42Å; W295-P366 HydrophobicContact CG-CG 3.84Å; W295-P366 HydrophobicContact CZ2-CG 4.03Å; P366-R368 VanDerWaalsContact C-N 3.33Å; P366-R368 PolarHBondContact O-N 3.23Å; P366-Q369 HydrophobicContact CB-CB 4.31Å; P366-Q369 PolarHBondContact O-N 3.09Å; P366-Q369 PolarHBondContact O-OE1 3.36Å; P366-L370 HydrophobicContact CG-CD1 4.28Å; P366-L370 HydrophobicContact CG-CG 4.14Å; P366-L370 PolarHBondContact O-N 3.39Å
367	Q	93.6	Very high	94.4	Very high	23 Å²	23	45.5 Å²	45.5	11%	0.107	25%	0.251	C	S	.	.	H	α-helix	trans	-50.1	-49.5	-167.7	176.9	173.1	-64.6	0	0	112.6	L365 Q369 L370 L371 F379 S387 E390	L365-Q367 PolarHBondContact O-N 2.74Å; Q367-Q369 VanDerWaalsContact C-N 3.34Å; Q367-Q369 PolarHBondContact O-N 3.14Å; Q367-L370 PolarHBondContact O-N 3.23Å; Q367-L371 HydrophobicContact CG-CD1 3.83Å; Q367-L371 HydrophobicContact CG-CG 4.43Å; Q367-L371 WeakPolarHBondContact O-CB 3.41Å; Q367-L371 WeakPolarHBondContact O-CG 3.27Å; Q367-L371 PolarHBondContact O-N 2.85Å; Q367-F379 HydrophobicContact CG-CE2 3.89Å; Q367-F379 HydrophobicContact CG-CZ 4.11Å; Q367-S387 PolarHBondContact NE2-OG 2.95Å; Q367-E390 PolarHBondContact NE2-OE2 3.37Å
368	R	91.2	Very high	94.6	Very high	30 Å²	30	39.6 Å²	39.6	11%	0.113	21%	0.213	C	C	.	.	H	α-helix	trans	-60.7	-42.4	-179.3	-173.6	178.6	-179.1	136.4	-3.3	112.3	D282 F283 S286 S287 P366 N372	D282-R368 VanDerWaalsContact CG-NH1 3.26Å; D282-R368 VanDerWaalsContact CG-NH2 3.35Å; D282-R368 IonicContact OD1-CZ 3.62Å; D282-R368 IonicContact OD1-NH1 3.13Å; D282-R368 PolarHBondContact OD1-NH1 3.07Å; D282-R368 IonicContact OD1-NH2 3.77Å; D282-R368 PolarHBondContact OD1-NH2 3.27Å; D282-R368 IonicContact OD2-CZ 2.71Å; D282-R368 IonicContact OD2-NE 3.71Å; D282-R368 IonicContact OD2-NH1 2.72Å; D282-R368 PolarHBondContact OD2-NH1 2.75Å; D282-R368 VanDerWaalsContact OD2-NH1 3.07Å; D282-R368 IonicContact OD2-NH2 3.42Å; D282-R368 PolarHBondContact OD2-NH2 2.96Å; F283-R368 PolarHBondContact O-NH2 3.09Å; S286-R368 PolarHBondContact OG-NH1 3.33Å; S287-R368 VanDerWaalsContact CB-NH2 3.32Å; P366-R368 VanDerWaalsContact C-N 3.33Å; P366-R368 PolarHBondContact O-N 3.23Å; R368-N372 WeakPolarHBondContact O-CB 3.47Å; R368-N372 VanDerWaalsContact O-CG 3.26Å; R368-N372 PolarHBondContact O-N 3.09Å; R368-N372 PolarHBondContact O-ND2 3.16Å
369	Q	92.6	Very high	94.7	Very high	31 Å²	31	38.1 Å²	38.1	15%	0.145	21%	0.207	C	C	.	.	H	α-helix	trans	-68.8	-41.8	179.4	-68.2	68.9	29.4	0	0	111.1	K289 L291 P366 Q367 N372 S373	K289-Q369 VanDerWaalsContact O-CG 3.28Å; K289-Q369 WeakPolarHBondContact O-CG 3.36Å; L291-Q369 HydrophobicContact CD1-CB 4.14Å; L291-Q369 HydrophobicContact CD2-CB 3.37Å; L291-Q369 HydrophobicContact CD2-CG 4.01Å; L291-Q369 HydrophobicContact CG-CB 3.7Å; L291-Q369 HydrophobicContact CG-CG 4.24Å; P366-Q369 HydrophobicContact CB-CB 4.31Å; P366-Q369 PolarHBondContact O-N 3.09Å; P366-Q369 PolarHBondContact O-OE1 3.36Å; Q367-Q369 VanDerWaalsContact C-N 3.34Å; Q367-Q369 PolarHBondContact O-N 3.14Å; Q369-N372 PolarHBondContact O-N 3.31Å; Q369-S373 PolarHBondContact O-N 3.47Å; Q369-S373 VanDerWaalsContact O-N 3.11Å
370	L	95.4	Very high	94.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-62.5	-46.2	175.5	-66.1	174.5	0	0	0	111.4	W295 L299 I308 L365 P366 Q367 N372 S373 V376	W295-L370 HydrophobicContact CD2-CD2 4.39Å; W295-L370 HydrophobicContact CE3-CD1 4.04Å; W295-L370 HydrophobicContact CE3-CD2 3.7Å; W295-L370 HydrophobicContact CE3-CG 4.37Å; W295-L370 HydrophobicContact CH2-CD1 4.25Å; W295-L370 HydrophobicContact CZ3-CD1 3.75Å; W295-L370 HydrophobicContact CZ3-CD2 4.2Å; L299-L370 HydrophobicContact CD2-CD2 4.21Å; L299-L370 HydrophobicContact CG-CD2 4.42Å; I308-L370 HydrophobicContact CD1-CB 3.87Å; I308-L370 HydrophobicContact CD1-CD1 4.05Å; L365-L370 HydrophobicContact CB-CD1 4.47Å; P366-L370 HydrophobicContact CG-CD1 4.28Å; P366-L370 HydrophobicContact CG-CG 4.14Å; P366-L370 PolarHBondContact O-N 3.39Å; Q367-L370 PolarHBondContact O-N 3.23Å; L370-N372 VanDerWaalsContact C-N 3.29Å; L370-N372 PolarHBondContact O-N 2.89Å; L370-S373 VanDerWaalsContact O-CB 3.28Å; L370-S373 WeakPolarHBondContact O-CB 3.43Å; L370-S373 PolarHBondContact O-N 3.21Å; L370-S373 VanDerWaalsContact O-N 3.11Å; L370-S373 PolarHBondContact O-OG 3.28Å; L370-V376 HydrophobicContact CB-CG2 4.42Å; L370-V376 WeakPolarHBondContact O-CG2 3.27Å
371	L	95.4	Very high	94.7	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.031	19%	0.192	C	C	.	.	H	α-helix	trans	-59.8	-38.7	176.4	-79.6	173.5	0	0	0	112.4	Q367 S373 V376 F379 E390 I391 A394 V396	Q367-L371 HydrophobicContact CG-CD1 3.83Å; Q367-L371 HydrophobicContact CG-CG 4.43Å; Q367-L371 WeakPolarHBondContact O-CB 3.41Å; Q367-L371 WeakPolarHBondContact O-CG 3.27Å; Q367-L371 PolarHBondContact O-N 2.85Å; L371-S373 VanDerWaalsContact C-N 3.29Å; L371-S373 PolarHBondContact O-N 3.14Å; L371-V376 HydrophobicContact CD2-CG1 4.36Å; L371-F379 HydrophobicContact CD1-CE2 4.4Å; L371-F379 HydrophobicContact CD2-CD2 3.8Å; L371-F379 HydrophobicContact CD2-CE2 4.31Å; L371-F379 HydrophobicContact CG-CD2 4.38Å; L371-F379 HydrophobicContact CG-CE2 4.4Å; L371-E390 HydrophobicContact CD1-CB 3.79Å; L371-I391 HydrophobicContact CD1-CG1 3.95Å; L371-I391 HydrophobicContact CD2-CG1 4.29Å; L371-A394 HydrophobicContact CB-CB 3.73Å; L371-A394 HydrophobicContact CD2-CB 3.94Å; L371-A394 HydrophobicContact CG-CB 4.29Å; L371-V396 HydrophobicContact CD2-CB 4.31Å; L371-V396 HydrophobicContact CD2-CG2 4.03Å
372	N	91.5	Very high	94.7	Very high	90 Å²	90	34.5 Å²	34.5	48%	0.481	18%	0.184	S	C	.	.	H	α-helix	trans	-79.3	-5.2	177.9	-70.7	-26.6	0	0	0	114.3	R368 Q369 L370 G374	R368-N372 WeakPolarHBondContact O-CB 3.47Å; R368-N372 VanDerWaalsContact O-CG 3.26Å; R368-N372 PolarHBondContact O-N 3.09Å; R368-N372 PolarHBondContact O-ND2 3.16Å; Q369-N372 PolarHBondContact O-N 3.31Å; L370-N372 VanDerWaalsContact C-N 3.29Å; L370-N372 PolarHBondContact O-N 2.89Å; N372-G374 PolarHBondContact O-N 3.5Å
373	S	92.8	Very high	94.8	Very high	42 Å²	42	33.1 Å²	33.1	29%	0.294	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-16.9	177.9	72	0	0	0	0	113.9	L299 Q369 L370 L371 K375	L299-S373 WeakPolarHBondContact CD2-OG 3.39Å; Q369-S373 PolarHBondContact O-N 3.47Å; Q369-S373 VanDerWaalsContact O-N 3.11Å; L370-S373 VanDerWaalsContact O-CB 3.28Å; L370-S373 WeakPolarHBondContact O-CB 3.43Å; L370-S373 PolarHBondContact O-N 3.21Å; L370-S373 VanDerWaalsContact O-N 3.11Å; L370-S373 PolarHBondContact O-OG 3.28Å; L371-S373 VanDerWaalsContact C-N 3.29Å; L371-S373 PolarHBondContact O-N 3.14Å; S373-K375 PolarHBondContact O-N 3.45Å; S373-K375 WeakPolarHBondContact OG-CB 3.42Å; S373-K375 PolarHBondContact OG-N 3.38Å; S373-K375 VanDerWaalsContact OG-N 3.14Å
374	G	92.6	Very high	95	Very high	61 Å²	61	29 Å²	29	63%	0.629	16%	0.158	S	C	*	.	S	Bend	trans	72.8	-0.3	-171.9	0	0	0	0	0	115	N372	N372-G374 PolarHBondContact O-N 3.5Å
375	K	96.6	Very high	95.2	Very high	74 Å²	74	25.3 Å²	25.3	32%	0.322	14%	0.144	S	C	.	.			trans	-87.4	-22.6	-179.9	-66.1	-71.5	-169.6	160.7	0	113.8	L299 G305 I306 S373 K377	L299-K375 HydrophobicContact CD2-CB 3.88Å; L299-K375 HydrophobicContact CD2-CG 3.91Å; G305-K375 CarbonylContact C-O 3.53Å; G305-K375 WeakPolarHBondContact CA-O 3.47Å; I306-K375 HydrophobicContact CD1-CB 4.27Å; I306-K375 HydrophobicContact CG1-CB 4.4Å; I306-K375 PolarHBondContact N-O 2.99Å; S373-K375 PolarHBondContact O-N 3.45Å; S373-K375 WeakPolarHBondContact OG-CB 3.42Å; S373-K375 PolarHBondContact OG-N 3.38Å; S373-K375 VanDerWaalsContact OG-N 3.14Å; K375-K377 PolarHBondContact O-N 3.21Å
376	V	98.3	Very high	95.1	Very high	10 Å²	10	26.5 Å²	26.5	6%	0.061	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	126.7	-178.6	-173.8	0	0	0	0	110.1	I306 I308 L370 L371 V396	I306-V376 HydrophobicContact CB-CG2 4.39Å; I306-V376 CarbonylContact O-C 3.48Å; I306-V376 WeakPolarHBondContact O-CA 3.29Å; I308-V376 HydrophobicContact CD1-CG1 4.06Å; I308-V376 HydrophobicContact CD1-CG2 3.6Å; I308-V376 HydrophobicContact CG1-CG1 4.1Å; I308-V376 HydrophobicContact CG1-CG2 4.22Å; L370-V376 HydrophobicContact CB-CG2 4.42Å; L370-V376 WeakPolarHBondContact O-CG2 3.27Å; L371-V376 HydrophobicContact CD2-CG1 4.36Å; V376-V396 HydrophobicContact CB-CG2 4.25Å; V376-V396 HydrophobicContact CG1-CG1 3.85Å; V376-V396 HydrophobicContact CG1-CG2 4.36Å
377	K	98.3	Very high	95.2	Very high	97 Å²	97	26 Å²	26	42%	0.422	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-29.6	-179.1	-61	-61.6	-173.9	176	0	112.8	I306 F338 K375 P397 L441	I306-K377 PolarHBondContact O-N 3.3Å; F338-K377 HydrophobicContact CE1-CG 4.24Å; K375-K377 PolarHBondContact O-N 3.21Å; K377-P397 WeakPolarHBondContact O-CD 3.27Å; K377-P397 WeakPolarHBondContact O-CG 3.26Å; K377-L441 HydrophobicContact CB-CD2 3.85Å
378	L	98.8	Very high	95.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	140.4	-179.4	176.7	62.9	0	0	0	109.9	I307 I308 I380 P397 I399 M437 L440 L441	I307-L378 WeakPolarHBondContact CA-O 3.42Å; I307-L378 HydrophobicContact CG1-CB 4.29Å; I307-L378 HydrophobicContact CG2-CB 4.22Å; I307-L378 HydrophobicContact CG2-CD2 4.19Å; I307-L378 HydrophobicContact CG2-CG 4.28Å; I308-L378 PolarHBondContact N-O 2.85Å; L378-I380 HydrophobicContact CD2-CG1 4.42Å; L378-I380 HydrophobicContact CG-CG1 4.42Å; L378-P397 WeakPolarHBondContact CD1-O 3.47Å; L378-I399 HydrophobicContact CD1-CG1 4.26Å; L378-I399 HydrophobicContact CD2-CD1 4.19Å; L378-M437 HydrophobicContact CD2-CB 4.19Å; L378-M437 HydrophobicContact CD2-CG 3.87Å; L378-L440 HydrophobicContact CD1-CB 3.98Å; L378-L440 HydrophobicContact CD1-CD1 3.5Å; L378-L440 VanDerWaalsContact CD1-CD1 3.5Å; L378-L440 HydrophobicContact CD1-CG 4.41Å; L378-L441 HydrophobicContact CB-CD2 3.85Å; L378-L441 HydrophobicContact CB-CG 4.43Å; L378-L441 HydrophobicContact CD2-CD1 4.25Å; L378-L441 HydrophobicContact CD2-CD2 4.48Å; L378-L441 HydrophobicContact CD2-CG 4.18Å
379	F	98.8	Very high	95.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	122.4	171.8	-155.7	-63.4	0	0	0	110.9	I308 Q367 L371 T381 I391 V396 P397 M398 I399	I308-F379 HydrophobicContact CB-CD2 3.74Å; I308-F379 HydrophobicContact CB-CE2 3.74Å; I308-F379 HydrophobicContact CB-CG 4.23Å; I308-F379 HydrophobicContact CB-CZ 4.2Å; I308-F379 HydrophobicContact CD1-CD2 4.13Å; I308-F379 HydrophobicContact CD1-CE2 3.95Å; I308-F379 HydrophobicContact CG1-CD2 4.41Å; I308-F379 HydrophobicContact CG1-CE2 4.42Å; I308-F379 HydrophobicContact CG2-CD2 4.01Å; I308-F379 HydrophobicContact CG2-CE1 4.13Å; I308-F379 HydrophobicContact CG2-CE2 3.46Å; I308-F379 VanDerWaalsContact CG2-CE2 3.46Å; I308-F379 HydrophobicContact CG2-CZ 3.53Å; I308-F379 CarbonylContact O-C 3.57Å; I308-F379 WeakPolarHBondContact O-CA 3.29Å; Q367-F379 HydrophobicContact CG-CE2 3.89Å; Q367-F379 HydrophobicContact CG-CZ 4.11Å; L371-F379 HydrophobicContact CD1-CE2 4.4Å; L371-F379 HydrophobicContact CD2-CD2 3.8Å; L371-F379 HydrophobicContact CD2-CE2 4.31Å; L371-F379 HydrophobicContact CG-CD2 4.38Å; L371-F379 HydrophobicContact CG-CE2 4.4Å; F379-T381 HydrophobicContact CD1-CG2 4.34Å; F379-I391 HydrophobicContact CB-CD1 3.97Å; F379-I391 HydrophobicContact CB-CG1 4.12Å; F379-I391 HydrophobicContact CB-CG2 3.95Å; F379-I391 HydrophobicContact CD1-CD1 3.4Å; F379-I391 HydrophobicContact CD1-CG1 4.14Å; F379-I391 HydrophobicContact CD2-CD1 3.95Å; F379-I391 HydrophobicContact CD2-CG1 3.74Å; F379-I391 HydrophobicContact CE1-CD1 3.81Å; F379-I391 HydrophobicContact CE2-CD1 4.29Å; F379-I391 HydrophobicContact CE2-CG1 4.14Å; F379-I391 HydrophobicContact CG-CD1 3.48Å; F379-I391 VanDerWaalsContact CG-CD1 3.48Å; F379-I391 HydrophobicContact CG-CG1 3.72Å; F379-I391 HydrophobicContact CG-CG2 4.46Å; F379-I391 HydrophobicContact CZ-CD1 4.22Å; F379-V396 HydrophobicContact CB-CG1 4.09Å; F379-P397 PolarHBondContact N-O 2.84Å; F379-M398 HydrophobicContact CB-CB 4.48Å; F379-M398 CarbonylContact O-C 3.53Å; F379-M398 WeakPolarHBondContact O-CA 2.96Å; F379-M398 WeakPolarHBondContact O-CB 3.29Å; F379-I399 PolarHBondContact O-N 3.3Å
380	I	98.7	Very high	95.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	115.1	173.4	-51.7	172.4	0	0	0	107.7	I307 I308 F309 S310 F332 L378 I399 I401 M433 M437	I307-I380 HydrophobicContact CG2-CD1 4.17Å; I307-I380 HydrophobicContact CG2-CG1 4.46Å; I308-I380 PolarHBondContact O-N 3.22Å; F309-I380 WeakPolarHBondContact CA-O 3.5Å; F309-I380 HydrophobicContact CB-CB 4.38Å; F309-I380 HydrophobicContact CD2-CB 3.63Å; F309-I380 HydrophobicContact CD2-CD1 4.12Å; F309-I380 HydrophobicContact CD2-CG1 4.48Å; F309-I380 HydrophobicContact CD2-CG2 3.39Å; F309-I380 HydrophobicContact CE2-CB 4.36Å; F309-I380 HydrophobicContact CE2-CG2 3.61Å; F309-I380 HydrophobicContact CG-CB 4.34Å; F309-I380 HydrophobicContact CG-CG2 4.44Å; S310-I380 PolarHBondContact N-O 3Å; F332-I380 HydrophobicContact CE1-CD1 3.88Å; F332-I380 HydrophobicContact CZ-CD1 4.4Å; L378-I380 HydrophobicContact CD2-CG1 4.42Å; L378-I380 HydrophobicContact CG-CG1 4.42Å; I380-I399 CarbonylContact C-O 3.59Å; I380-I399 WeakPolarHBondContact CA-O 3.46Å; I380-I399 HydrophobicContact CG1-CB 4.24Å; I380-I399 HydrophobicContact CG1-CD1 4.35Å; I380-I399 HydrophobicContact CG2-CB 4.23Å; I380-I399 HydrophobicContact CG2-CG2 4.42Å; I380-I401 HydrophobicContact CG2-CD1 3.54Å; I380-I401 HydrophobicContact CG2-CG1 4.31Å; I380-M433 HydrophobicContact CD1-SD 4.15Å; I380-M437 HydrophobicContact CD1-CG 4.34Å; I380-M437 HydrophobicContact CD1-SD 4.14Å
381	T	98.1	Very high	95.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	152	-168.6	-177	0	0	0	0	113	S310 F379 A383 I391 M398 I399 M400 I401	S310-T381 VanDerWaalsContact O-CA 3.32Å; S310-T381 WeakPolarHBondContact O-CA 3.23Å; F379-T381 HydrophobicContact CD1-CG2 4.34Å; T381-A383 PolarHBondContact O-N 2.95Å; T381-A383 PolarHBondContact OG1-N 3.5Å; T381-A383 VanDerWaalsContact OG1-N 3.13Å; T381-I391 HydrophobicContact CG2-CD1 3.82Å; T381-M398 HydrophobicContact CG2-CB 4.44Å; T381-M398 HydrophobicContact CG2-SD 4.3Å; T381-I399 PolarHBondContact N-O 2.82Å; T381-M400 HydrophobicContact CG2-CG 3.98Å; T381-M400 CarbonylContact O-C 3.49Å; T381-M400 VanDerWaalsContact O-CA 3.24Å; T381-M400 WeakPolarHBondContact O-CA 3.18Å; T381-I401 PolarHBondContact O-N 3.32Å
382	H	95.7	Very high	95.8	Very high	19 Å²	19	23.8 Å²	23.8	9%	0.088	14%	0.138	C	C	.	.			trans	-67.7	-3.1	165.2	67.3	-51.5	0	0	0	114.7	S310 L311 G312 G384 I401 P402 L403 Q407	S310-H382 PolarHBondContact O-N 3.41Å; L311-H382 VanDerWaalsContact C-CG 3.45Å; L311-H382 VanDerWaalsContact C-ND1 3.3Å; L311-H382 HydrophobicContact CB-CB 4.2Å; L311-H382 HydrophobicContact CD2-CB 3.91Å; L311-H382 PolarHBondContact O-CD2 3.49Å; L311-H382 VanDerWaalsContact O-CG 3.27Å; G312-H382 WeakPolarHBondContact CA-CE1 3.49Å; G312-H382 PolarHBondContact N-CE1 3.42Å; G312-H382 PolarHBondContact N-ND1 2.96Å; H382-G384 VanDerWaalsContact C-N 3.26Å; H382-G384 PolarHBondContact CD2-N 3.45Å; H382-G384 WeakPolarHBondContact NE2-CA 3.43Å; H382-G384 PolarHBondContact NE2-N 2.96Å; H382-G384 PolarHBondContact O-N 2.9Å; H382-I401 VanDerWaalsContact CA-O 3.31Å; H382-I401 WeakPolarHBondContact CA-O 3.32Å; H382-P402 WeakPolarHBondContact O-CA 3.32Å; H382-L403 HydrophobicContact CB-CD1 4.23Å; H382-L403 HydrophobicContact CB-CG 4.35Å; H382-Q407 VanDerWaalsContact O-CB 3.31Å; H382-Q407 WeakPolarHBondContact O-CB 3.32Å; H382-Q407 WeakPolarHBondContact O-CG 3.2Å; H382-Q407 PolarHBondContact O-OE1 3.34Å
383	A	96.5	Very high	96	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.118	C	C	.	.			trans	61	27.9	-174.8	0	0	0	0	0	114.5	T381 M400 N410 A411	T381-A383 PolarHBondContact O-N 2.95Å; T381-A383 PolarHBondContact OG1-N 3.5Å; T381-A383 VanDerWaalsContact OG1-N 3.13Å; A383-M400 HydrophobicContact CB-CB 4.07Å; A383-M400 HydrophobicContact CB-CG 3.96Å; A383-M400 HydrophobicContact CB-SD 4.36Å; A383-N410 HydrophobicContact CB-CB 4.28Å; A383-N410 WeakPolarHBondContact O-CB 3.44Å; A383-N410 PolarHBondContact O-ND2 3.35Å; A383-A411 HydrophobicContact CB-CB 4.1Å
384	G	94.4	Very high	96.1	Very high	9 Å²	9	19.3 Å²	19.3	9%	0.093	11%	0.114	C	C	.	.			trans	-60.3	137.9	164.7	0	0	0	0	0	110.5	H382 N386 S387 L388	H382-G384 VanDerWaalsContact C-N 3.26Å; H382-G384 PolarHBondContact CD2-N 3.45Å; H382-G384 WeakPolarHBondContact NE2-CA 3.43Å; H382-G384 PolarHBondContact NE2-N 2.96Å; H382-G384 PolarHBondContact O-N 2.9Å; G384-N386 PolarHBondContact O-N 2.93Å; G384-S387 WeakPolarHBondContact O-CB 3.49Å; G384-S387 PolarHBondContact O-N 2.78Å; G384-L388 PolarHBondContact O-N 3.31Å
385	Y	93.7	Very high	96.4	Very high	7 Å²	7	16.6 Å²	16.6	3%	0.027	9%	0.087	C	C	.	.	H	α-helix	trans	-57.4	-43.9	-160.5	-170.3	-94.4	0	0	0	114.9	N176 N262 G263 E264 S387 L388 L389 N410	N176-Y385 HydrophobicContact CB-CD2 4.31Å; N176-Y385 HydrophobicContact CB-CE2 3.44Å; N176-Y385 VanDerWaalsContact CB-CE2 3.44Å; N176-Y385 PolarHBondContact ND2-OH 2.66Å; N176-Y385 PolarHBondContact OD1-OH 2.75Å; N262-Y385 WeakPolarHBondContact O-CD1 3.28Å; N262-Y385 WeakPolarHBondContact O-CE1 3.25Å; N262-Y385 VanDerWaalsContact O-CZ 3.31Å; G263-Y385 WeakPolarHBondContact CA-OH 3.43Å; E264-Y385 PolarHBondContact N-OH 3.45Å; Y385-S387 VanDerWaalsContact C-N 3.3Å; Y385-S387 PolarHBondContact O-N 2.88Å; Y385-L388 HydrophobicContact CD2-CD2 4.36Å; Y385-L388 HydrophobicContact CE2-CD2 4.26Å; Y385-L388 WeakPolarHBondContact O-CB 3.49Å; Y385-L388 PolarHBondContact O-N 2.79Å; Y385-L388 VanDerWaalsContact O-N 3.16Å; Y385-L389 HydrophobicContact CE1-CB 4.24Å; Y385-L389 HydrophobicContact CE1-CD2 4.47Å; Y385-L389 PolarHBondContact O-N 3.4Å; Y385-N410 PolarHBondContact N-ND2 3.16Å
386	N	92.2	Very high	96.5	Very high	32 Å²	32	13.5 Å²	13.5	17%	0.171	7%	0.074	C	C	.	.	H	α-helix	trans	-61.6	-39	179	-70.3	-45.1	0	0	0	112.3	R45 N262 G384 L389 E390	R45-N386 PolarHBondContact NH2-OD1 2.92Å; N262-N386 PolarHBondContact ND2-OD1 2.82Å; G384-N386 PolarHBondContact O-N 2.93Å; N386-L389 PolarHBondContact O-N 3.45Å; N386-E390 VanDerWaalsContact O-CG 3.32Å; N386-E390 WeakPolarHBondContact O-CG 3.22Å; N386-E390 PolarHBondContact O-N 3.48Å
387	S	94.2	Very high	96.5	Very high	15 Å²	15	13.2 Å²	13.2	11%	0.105	7%	0.073	C	C	.	.	H	α-helix	trans	-68.1	-42.7	174.8	-57.1	0	0	0	0	111.1	Q367 G384 Y385 L389 E390 I391	Q367-S387 PolarHBondContact NE2-OG 2.95Å; G384-S387 WeakPolarHBondContact O-CB 3.49Å; G384-S387 PolarHBondContact O-N 2.78Å; Y385-S387 VanDerWaalsContact C-N 3.3Å; Y385-S387 PolarHBondContact O-N 2.88Å; S387-L389 VanDerWaalsContact C-N 3.29Å; S387-L389 PolarHBondContact O-N 3.44Å; S387-E390 PolarHBondContact O-N 2.97Å; S387-I391 WeakPolarHBondContact O-CB 3.27Å; S387-I391 VanDerWaalsContact O-CD1 3.26Å; S387-I391 WeakPolarHBondContact O-CD1 3.36Å; S387-I391 WeakPolarHBondContact O-CG1 3.38Å; S387-I391 PolarHBondContact O-N 2.94Å
388	L	96.2	Very high	96.5	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-54.9	-47.6	175.3	175.2	66.6	0	0	0	111	I267 G384 Y385 T392 M398 N410 A414	I267-L388 HydrophobicContact CG2-CD2 4.31Å; G384-L388 PolarHBondContact O-N 3.31Å; Y385-L388 HydrophobicContact CD2-CD2 4.36Å; Y385-L388 HydrophobicContact CE2-CD2 4.26Å; Y385-L388 WeakPolarHBondContact O-CB 3.49Å; Y385-L388 PolarHBondContact O-N 2.79Å; Y385-L388 VanDerWaalsContact O-N 3.16Å; L388-T392 WeakPolarHBondContact O-CB 3.37Å; L388-T392 PolarHBondContact O-N 3.44Å; L388-T392 PolarHBondContact O-OG1 3.16Å; L388-M398 HydrophobicContact CD1-CE 3.93Å; L388-M398 HydrophobicContact CD1-SD 3.59Å; L388-M398 VanDerWaalsContact CD1-SD 3.59Å; L388-N410 HydrophobicContact CD2-CB 3.86Å; L388-A414 HydrophobicContact CD1-CB 3.75Å
389	L	95.3	Very high	96.5	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.01	5%	0.052	C	C	.	.	H	α-helix	trans	-60.4	-50.8	178.4	178.4	61.6	0	0	0	111.5	E264 I267 D282 Y385 N386 S387 I391 T392 L393	E264-L389 HydrophobicContact CB-CD1 4.46Å; E264-L389 HydrophobicContact CG-CD1 3.58Å; I267-L389 HydrophobicContact CD1-CD1 3.96Å; D282-L389 HydrophobicContact CB-CD2 4.37Å; Y385-L389 HydrophobicContact CE1-CB 4.24Å; Y385-L389 HydrophobicContact CE1-CD2 4.47Å; Y385-L389 PolarHBondContact O-N 3.4Å; N386-L389 PolarHBondContact O-N 3.45Å; S387-L389 VanDerWaalsContact C-N 3.29Å; S387-L389 PolarHBondContact O-N 3.44Å; L389-I391 PolarHBondContact O-N 2.84Å; L389-T392 PolarHBondContact O-N 3Å; L389-L393 HydrophobicContact CD1-CD1 3.82Å; L389-L393 HydrophobicContact CD1-CG 4.03Å; L389-L393 HydrophobicContact CG-CD1 3.94Å; L389-L393 HydrophobicContact CG-CG 4.49Å; L389-L393 WeakPolarHBondContact O-CB 3.33Å; L389-L393 VanDerWaalsContact O-CG 3.31Å; L389-L393 WeakPolarHBondContact O-CG 3.29Å; L389-L393 PolarHBondContact O-N 3.02Å
390	E	94.6	Very high	96.5	Very high	37 Å²	37	8.6 Å²	8.6	17%	0.173	5%	0.052	C	C	.	.	H	α-helix	trans	-60.3	-46.1	-179.7	-72.6	172	-161.9	0	0	112.3	Q367 L371 N386 S387 L393 A394	Q367-E390 PolarHBondContact NE2-OE2 3.37Å; L371-E390 HydrophobicContact CD1-CB 3.79Å; N386-E390 VanDerWaalsContact O-CG 3.32Å; N386-E390 WeakPolarHBondContact O-CG 3.22Å; N386-E390 PolarHBondContact O-N 3.48Å; S387-E390 PolarHBondContact O-N 2.97Å; E390-L393 PolarHBondContact O-N 3.37Å; E390-A394 WeakPolarHBondContact O-CB 3.43Å; E390-A394 PolarHBondContact O-N 2.93Å
391	I	97.7	Very high	96.4	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-64.9	-43	179.7	-61.2	160.2	0	0	0	110.2	L371 F379 T381 S387 L389 A394 G395 V396 M398	L371-I391 HydrophobicContact CD1-CG1 3.95Å; L371-I391 HydrophobicContact CD2-CG1 4.29Å; F379-I391 HydrophobicContact CB-CD1 3.97Å; F379-I391 HydrophobicContact CB-CG1 4.12Å; F379-I391 HydrophobicContact CB-CG2 3.95Å; F379-I391 HydrophobicContact CD1-CD1 3.4Å; F379-I391 HydrophobicContact CD1-CG1 4.14Å; F379-I391 HydrophobicContact CD2-CD1 3.95Å; F379-I391 HydrophobicContact CD2-CG1 3.74Å; F379-I391 HydrophobicContact CE1-CD1 3.81Å; F379-I391 HydrophobicContact CE2-CD1 4.29Å; F379-I391 HydrophobicContact CE2-CG1 4.14Å; F379-I391 HydrophobicContact CG-CD1 3.48Å; F379-I391 VanDerWaalsContact CG-CD1 3.48Å; F379-I391 HydrophobicContact CG-CG1 3.72Å; F379-I391 HydrophobicContact CG-CG2 4.46Å; F379-I391 HydrophobicContact CZ-CD1 4.22Å; T381-I391 HydrophobicContact CG2-CD1 3.82Å; S387-I391 WeakPolarHBondContact O-CB 3.27Å; S387-I391 VanDerWaalsContact O-CD1 3.26Å; S387-I391 WeakPolarHBondContact O-CD1 3.36Å; S387-I391 WeakPolarHBondContact O-CG1 3.38Å; S387-I391 PolarHBondContact O-N 2.94Å; L389-I391 PolarHBondContact O-N 2.84Å; I391-A394 PolarHBondContact O-N 3.27Å; I391-G395 PolarHBondContact O-N 3.21Å; I391-G395 VanDerWaalsContact O-N 3.16Å; I391-V396 HydrophobicContact CG2-CB 4.02Å; I391-V396 HydrophobicContact CG2-CG1 4.29Å; I391-V396 WeakPolarHBondContact CG2-O 3.29Å; I391-V396 PolarHBondContact O-N 2.94Å; I391-M398 HydrophobicContact CB-CE 3.9Å; I391-M398 HydrophobicContact CG2-CB 4.22Å; I391-M398 HydrophobicContact CG2-CE 3.4Å; I391-M398 VanDerWaalsContact CG2-CE 3.4Å; I391-M398 HydrophobicContact CG2-SD 4.17Å
392	T	97.4	Very high	96.2	Very high	4 Å²	4	9.4 Å²	9.4	3%	0.025	6%	0.058	C	C	.	.	H	α-helix	trans	-63.9	-44.8	178.8	-59.2	0	0	0	0	111.1	I267 L388 L389 A394 G395 L419 F453 S454 L457	I267-T392 HydrophobicContact CD1-CG2 3.91Å; I267-T392 HydrophobicContact CG1-CG2 4.28Å; L388-T392 WeakPolarHBondContact O-CB 3.37Å; L388-T392 PolarHBondContact O-N 3.44Å; L388-T392 PolarHBondContact O-OG1 3.16Å; L389-T392 PolarHBondContact O-N 3Å; T392-A394 VanDerWaalsContact C-N 3.27Å; T392-A394 PolarHBondContact O-N 2.89Å; T392-G395 PolarHBondContact O-N 3.44Å; T392-G395 VanDerWaalsContact O-N 3.09Å; T392-L419 HydrophobicContact CG2-CD1 3.81Å; T392-F453 HydrophobicContact CG2-CD1 3.57Å; T392-F453 HydrophobicContact CG2-CE1 3.66Å; T392-S454 WeakPolarHBondContact O-CB 3.26Å; T392-L457 HydrophobicContact CG2-CD1 3.69Å
393	L	95.1	Very high	96	Very high	12 Å²	12	9.1 Å²	9.1	6%	0.063	6%	0.057	C	C	.	.	H	α-helix	trans	-65.6	-30.4	175.7	-71.9	173.9	0	0	0	112.1	D282 L389 E390 G395 S454 L457 R458	D282-L393 HydrophobicContact CB-CD1 3.52Å; L389-L393 HydrophobicContact CD1-CD1 3.82Å; L389-L393 HydrophobicContact CD1-CG 4.03Å; L389-L393 HydrophobicContact CG-CD1 3.94Å; L389-L393 HydrophobicContact CG-CG 4.49Å; L389-L393 WeakPolarHBondContact O-CB 3.33Å; L389-L393 VanDerWaalsContact O-CG 3.31Å; L389-L393 WeakPolarHBondContact O-CG 3.29Å; L389-L393 PolarHBondContact O-N 3.02Å; E390-L393 PolarHBondContact O-N 3.37Å; L393-G395 VanDerWaalsContact C-N 3.25Å; L393-G395 PolarHBondContact O-N 2.83Å; L393-S454 PolarHBondContact O-OG 2.61Å; L393-L457 HydrophobicContact CD2-CB 4.06Å; L393-L457 HydrophobicContact CD2-CD1 4.16Å; L393-R458 VanDerWaalsContact O-CZ 3.26Å; L393-R458 PolarHBondContact O-NE 3.18Å; L393-R458 PolarHBondContact O-NH2 2.98Å
394	A	96.1	Very high	95.6	Very high	26 Å²	26	10.6 Å²	10.6	22%	0.215	6%	0.063	C	C	.	.	H	α-helix	trans	-75.5	-12.4	174.3	0	0	0	0	0	113.7	L371 E390 I391 T392 V396	L371-A394 HydrophobicContact CB-CB 3.73Å; L371-A394 HydrophobicContact CD2-CB 3.94Å; L371-A394 HydrophobicContact CG-CB 4.29Å; E390-A394 WeakPolarHBondContact O-CB 3.43Å; E390-A394 PolarHBondContact O-N 2.93Å; I391-A394 PolarHBondContact O-N 3.27Å; T392-A394 VanDerWaalsContact C-N 3.27Å; T392-A394 PolarHBondContact O-N 2.89Å; A394-V396 VanDerWaalsContact C-N 3.35Å; A394-V396 HydrophobicContact CB-CG2 4.06Å
395	G	97.8	Very high	95.2	Very high	5 Å²	5	11.7 Å²	11.7	5%	0.052	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	33.2	-179.1	0	0	0	0	0	113.1	I391 T392 L393 A450	I391-G395 PolarHBondContact O-N 3.21Å; I391-G395 VanDerWaalsContact O-N 3.16Å; T392-G395 PolarHBondContact O-N 3.44Å; T392-G395 VanDerWaalsContact O-N 3.09Å; L393-G395 VanDerWaalsContact C-N 3.25Å; L393-G395 PolarHBondContact O-N 2.83Å; G395-A450 WeakPolarHBondContact CA-O 3.36Å; G395-A450 WeakPolarHBondContact O-CB 3.5Å
396	V	98.5	Very high	95.1	Very high	9 Å²	9	12.9 Å²	12.9	6%	0.055	8%	0.081	C	C	.	.			trans	-102.2	130.7	-179	172.9	0	0	0	0	109.6	L371 V376 F379 I391 A394	L371-V396 HydrophobicContact CD2-CB 4.31Å; L371-V396 HydrophobicContact CD2-CG2 4.03Å; V376-V396 HydrophobicContact CB-CG2 4.25Å; V376-V396 HydrophobicContact CG1-CG1 3.85Å; V376-V396 HydrophobicContact CG1-CG2 4.36Å; F379-V396 HydrophobicContact CB-CG1 4.09Å; I391-V396 HydrophobicContact CG2-CB 4.02Å; I391-V396 HydrophobicContact CG2-CG1 4.29Å; I391-V396 WeakPolarHBondContact CG2-O 3.29Å; I391-V396 PolarHBondContact O-N 2.94Å; A394-V396 VanDerWaalsContact C-N 3.35Å; A394-V396 HydrophobicContact CB-CG2 4.06Å
397	P	98.6	Very high	95.1	Very high	4 Å²	4	11.8 Å²	11.8	3%	0.026	8%	0.075	C	C	.	.			trans	-68.3	154.9	173.6	30.4	-35.1	0	0	0	111	K377 L378 F379 L419 L440 F446	K377-P397 WeakPolarHBondContact O-CD 3.27Å; K377-P397 WeakPolarHBondContact O-CG 3.26Å; L378-P397 WeakPolarHBondContact CD1-O 3.47Å; F379-P397 PolarHBondContact N-O 2.84Å; P397-L419 WeakPolarHBondContact CA-O 2.96Å; P397-L440 HydrophobicContact CB-CD2 4.49Å; P397-F446 HydrophobicContact CB-CB 4.13Å
398	M	98.7	Very high	95.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	149	-173.4	64.7	-169.9	90.4	0	0	115.8	F379 T381 L388 I391 M400 L419 G420 L421 L440	F379-M398 HydrophobicContact CB-CB 4.48Å; F379-M398 CarbonylContact O-C 3.53Å; F379-M398 WeakPolarHBondContact O-CA 2.96Å; F379-M398 WeakPolarHBondContact O-CB 3.29Å; T381-M398 HydrophobicContact CG2-CB 4.44Å; T381-M398 HydrophobicContact CG2-SD 4.3Å; L388-M398 HydrophobicContact CD1-CE 3.93Å; L388-M398 HydrophobicContact CD1-SD 3.59Å; L388-M398 VanDerWaalsContact CD1-SD 3.59Å; I391-M398 HydrophobicContact CB-CE 3.9Å; I391-M398 HydrophobicContact CG2-CB 4.22Å; I391-M398 HydrophobicContact CG2-CE 3.4Å; I391-M398 VanDerWaalsContact CG2-CE 3.4Å; I391-M398 HydrophobicContact CG2-SD 4.17Å; M398-M400 HydrophobicContact CG-CE 4.13Å; M398-M400 HydrophobicContact CG-CG 3.89Å; M398-M400 HydrophobicContact CG-SD 3.92Å; M398-M400 HydrophobicContact SD-CG 4.05Å; M398-M400 HydrophobicContact SD-SD 3.83Å; M398-L419 HydrophobicContact CE-CB 4.35Å; M398-L419 PolarHBondContact N-O 3.29Å; M398-L419 VanDerWaalsContact N-O 3.12Å; M398-G420 CarbonylContact O-C 3.55Å; M398-G420 WeakPolarHBondContact O-CA 3.41Å; M398-L421 PolarHBondContact O-N 2.89Å; M398-L440 WeakPolarHBondContact O-CD1 3.48Å
399	I	98.8	Very high	95	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	128.1	162.4	-60.6	172.7	0	0	0	107.2	L378 F379 I380 T381 I401 L421 L423 M433 K436 M437 L440	L378-I399 HydrophobicContact CD1-CG1 4.26Å; L378-I399 HydrophobicContact CD2-CD1 4.19Å; F379-I399 PolarHBondContact O-N 3.3Å; I380-I399 CarbonylContact C-O 3.59Å; I380-I399 WeakPolarHBondContact CA-O 3.46Å; I380-I399 HydrophobicContact CG1-CB 4.24Å; I380-I399 HydrophobicContact CG1-CD1 4.35Å; I380-I399 HydrophobicContact CG2-CB 4.23Å; I380-I399 HydrophobicContact CG2-CG2 4.42Å; T381-I399 PolarHBondContact N-O 2.82Å; I399-I401 HydrophobicContact CG2-CG1 4.45Å; I399-L421 CarbonylContact C-O 3.58Å; I399-L421 WeakPolarHBondContact CA-O 3.42Å; I399-L423 HydrophobicContact CG2-CB 3.93Å; I399-M433 HydrophobicContact CD1-SD 3.98Å; I399-K436 HydrophobicContact CD1-CB 3.74Å; I399-K436 HydrophobicContact CG1-CB 4.37Å; I399-M437 HydrophobicContact CD1-CB 4.5Å; I399-M437 HydrophobicContact CD1-CG 3.72Å; I399-L440 HydrophobicContact CD1-CD1 4.33Å; I399-L440 HydrophobicContact CG1-CD1 3.52Å
400	M	98.4	Very high	95	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.3	-175.1	-67.8	162.9	-70.2	0	0	110.5	T381 A383 M398 P402 A411 A414 V415 L421 Q422 L423	T381-M400 HydrophobicContact CG2-CG 3.98Å; T381-M400 CarbonylContact O-C 3.49Å; T381-M400 VanDerWaalsContact O-CA 3.24Å; T381-M400 WeakPolarHBondContact O-CA 3.18Å; A383-M400 HydrophobicContact CB-CB 4.07Å; A383-M400 HydrophobicContact CB-CG 3.96Å; A383-M400 HydrophobicContact CB-SD 4.36Å; M398-M400 HydrophobicContact CG-CE 4.13Å; M398-M400 HydrophobicContact CG-CG 3.89Å; M398-M400 HydrophobicContact CG-SD 3.92Å; M398-M400 HydrophobicContact SD-CG 4.05Å; M398-M400 HydrophobicContact SD-SD 3.83Å; M400-P402 WeakPolarHBondContact O-CD 3.46Å; M400-A411 HydrophobicContact CB-CB 3.92Å; M400-A411 HydrophobicContact SD-CB 4.05Å; M400-A414 HydrophobicContact CE-CB 3.68Å; M400-A414 HydrophobicContact SD-CB 3.28Å; M400-A414 WeakPolarHBondContact SD-CB 3.33Å; M400-V415 HydrophobicContact CE-CG2 3.73Å; M400-L421 PolarHBondContact N-O 3.5Å; M400-Q422 CarbonylContact O-C 3.59Å; M400-Q422 WeakPolarHBondContact O-CA 3.19Å; M400-L423 PolarHBondContact O-N 2.86Å
401	I	97	Very high	95.1	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	8%	0.076	C	C	.	.			trans	-114	70.9	179.2	-52.1	166.4	0	0	0	107.6	F309 L311 I380 T381 H382 I399 L403 L423 I425 I428 M433	F309-I401 HydrophobicContact CE2-CD1 3.92Å; F309-I401 HydrophobicContact CZ-CD1 4.44Å; L311-I401 HydrophobicContact CD2-CB 4.16Å; L311-I401 HydrophobicContact CD2-CD1 4.27Å; I380-I401 HydrophobicContact CG2-CD1 3.54Å; I380-I401 HydrophobicContact CG2-CG1 4.31Å; T381-I401 PolarHBondContact O-N 3.32Å; H382-I401 VanDerWaalsContact CA-O 3.31Å; H382-I401 WeakPolarHBondContact CA-O 3.32Å; I399-I401 HydrophobicContact CG2-CG1 4.45Å; I401-L403 HydrophobicContact CG2-CD2 4.06Å; I401-L403 WeakPolarHBondContact O-CD2 3.43Å; I401-L403 WeakPolarHBondContact O-CG 3.27Å; I401-L403 PolarHBondContact O-N 3.39Å; I401-L423 WeakPolarHBondContact CA-O 3.45Å; I401-I425 HydrophobicContact CG2-CB 3.69Å; I401-I425 HydrophobicContact CG2-CG1 4.27Å; I401-I428 HydrophobicContact CD1-CD1 3.71Å; I401-I428 HydrophobicContact CG1-CD1 4.2Å; I401-I428 HydrophobicContact CG2-CD1 3.97Å; I401-M433 HydrophobicContact CD1-CE 4Å
402	P	94.4	Very high	95	Very high	17 Å²	17	11.6 Å²	11.6	11%	0.11	8%	0.08	C	C	.	.			trans	-65.6	135.6	-176.9	28.4	-34.6	0	0	0	110.7	H382 M400 Q407 P408 A411 Q422	H382-P402 WeakPolarHBondContact O-CA 3.32Å; M400-P402 WeakPolarHBondContact O-CD 3.46Å; P402-Q407 HydrophobicContact CB-CB 3.83Å; P402-P408 HydrophobicContact CB-CB 4.35Å; P402-P408 HydrophobicContact CB-CG 4.15Å; P402-A411 HydrophobicContact CB-CB 4.33Å; P402-A411 HydrophobicContact CG-CB 4.06Å; P402-Q422 HydrophobicContact CG-CG 4.03Å
403	L	91	Very high	95	Very high	13 Å²	13	12.5 Å²	12.5	7%	0.068	8%	0.083	C	C	.	.			trans	-110.5	-46.6	-173.3	-52.1	177.4	0	0	0	111.7	I102 I103 L311 V315 H382 I401 Q407 I425	I102-L403 WeakPolarHBondContact CG2-O 3.13Å; I103-L403 HydrophobicContact CG1-CB 4.3Å; I103-L403 HydrophobicContact CG2-CD2 4.38Å; L311-L403 HydrophobicContact CB-CD1 4.38Å; L311-L403 HydrophobicContact CD1-CD1 4.47Å; V315-L403 HydrophobicContact CB-CD1 4.31Å; V315-L403 HydrophobicContact CG1-CD1 4.37Å; V315-L403 HydrophobicContact CG2-CD1 3.62Å; H382-L403 HydrophobicContact CB-CD1 4.23Å; H382-L403 HydrophobicContact CB-CG 4.35Å; I401-L403 HydrophobicContact CG2-CD2 4.06Å; I401-L403 WeakPolarHBondContact O-CD2 3.43Å; I401-L403 WeakPolarHBondContact O-CG 3.27Å; I401-L403 PolarHBondContact O-N 3.39Å; L403-Q407 VanDerWaalsContact CB-OE1 3.31Å; L403-I425 HydrophobicContact CD2-CB 4.18Å; L403-I425 HydrophobicContact CD2-CD1 3.71Å; L403-I425 HydrophobicContact CD2-CG2 4.26Å
404	F	87.6	Confident	95.1	Very high	31 Å²	31	12 Å²	12	14%	0.136	8%	0.08	C	C	.	.	S	Bend	trans	-165.5	175.6	-178.5	58.2	-89	0	0	0	112.9	L99 I102 I103 V314 V315 D406 Q407	L99-F404 HydrophobicContact CD1-CB 4.27Å; L99-F404 HydrophobicContact CD1-CD1 3.49Å; L99-F404 VanDerWaalsContact CD1-CD1 3.49Å; L99-F404 HydrophobicContact CD1-CD2 4Å; L99-F404 HydrophobicContact CD1-CE1 3.72Å; L99-F404 HydrophobicContact CD1-CE2 4.21Å; L99-F404 HydrophobicContact CD1-CG 3.65Å; L99-F404 HydrophobicContact CD1-CZ 4.08Å; L99-F404 HydrophobicContact CD2-CE1 4.05Å; L99-F404 HydrophobicContact CD2-CZ 4.09Å; L99-F404 HydrophobicContact CG-CD1 4.28Å; L99-F404 HydrophobicContact CG-CE1 4.15Å; I102-F404 HydrophobicContact CG2-CB 4Å; I103-F404 HydrophobicContact CG1-CD1 4.37Å; V314-F404 HydrophobicContact CB-CZ 4.15Å; V314-F404 HydrophobicContact CG1-CE2 4.31Å; V314-F404 HydrophobicContact CG1-CZ 3.78Å; V315-F404 HydrophobicContact CG2-CE1 3.47Å; V315-F404 VanDerWaalsContact CG2-CE1 3.47Å; V315-F404 HydrophobicContact CG2-CZ 4.09Å; F404-D406 PolarHBondContact O-N 2.94Å; F404-Q407 VanDerWaalsContact N-OE1 3.16Å; F404-Q407 VanDerWaalsContact O-CB 3.25Å; F404-Q407 WeakPolarHBondContact O-CB 3.5Å; F404-Q407 WeakPolarHBondContact O-CG 3.43Å; F404-Q407 PolarHBondContact O-N 3.28Å; F404-Q407 PolarHBondContact O-NE2 3.22Å; F404-Q407 PolarHBondContact O-OE1 2.81Å
405	G	86.5	Confident	95.1	Very high	31 Å²	31	13.6 Å²	13.6	32%	0.32	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.7	-131.5	173.5	0	0	0	0	0	112.1	Q407 P408	G405-Q407 VanDerWaalsContact C-N 3.3Å; G405-P408 WeakPolarHBondContact O-CD 3.41Å
406	D	90.3	Very high	95	Very high	33 Å²	33	18.6 Å²	18.6	18%	0.176	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-15.6	179.2	65.2	-40.5	0	0	0	113.6	Y177 F198 F404 G409 N410	Y177-D406 HydrophobicContact CD1-CB 4Å; Y177-D406 HydrophobicContact CE1-CB 3.69Å; F198-D406 HydrophobicContact CE2-CB 3.92Å; F198-D406 HydrophobicContact CZ-CB 4.36Å; F404-D406 PolarHBondContact O-N 2.94Å; D406-G409 PolarHBondContact O-N 3.31Å; D406-G409 VanDerWaalsContact O-N 3.11Å; D406-N410 VanDerWaalsContact O-CG 3.25Å; D406-N410 PolarHBondContact O-N 2.85Å; D406-N410 PolarHBondContact O-ND2 3.32Å; D406-N410 PolarHBondContact O-OD1 3.12Å; D406-N410 PolarHBondContact OD2-ND2 3.43Å
407	Q	93.9	Very high	94.9	Very high	9 Å²	9	19.6 Å²	19.6	4%	0.042	11%	0.108	C	C	.	.	H	α-helix	trans	-55.7	-42.4	-172.6	-62.9	162.8	23.2	0	0	114.4	H382 P402 L403 F404 G405 G409 N410 A411	H382-Q407 VanDerWaalsContact O-CB 3.31Å; H382-Q407 WeakPolarHBondContact O-CB 3.32Å; H382-Q407 WeakPolarHBondContact O-CG 3.2Å; H382-Q407 PolarHBondContact O-OE1 3.34Å; P402-Q407 HydrophobicContact CB-CB 3.83Å; L403-Q407 VanDerWaalsContact CB-OE1 3.31Å; F404-Q407 VanDerWaalsContact N-OE1 3.16Å; F404-Q407 VanDerWaalsContact O-CB 3.25Å; F404-Q407 WeakPolarHBondContact O-CB 3.5Å; F404-Q407 WeakPolarHBondContact O-CG 3.43Å; F404-Q407 PolarHBondContact O-N 3.28Å; F404-Q407 PolarHBondContact O-NE2 3.22Å; F404-Q407 PolarHBondContact O-OE1 2.81Å; G405-Q407 VanDerWaalsContact C-N 3.3Å; Q407-G409 PolarHBondContact O-N 3.49Å; Q407-N410 WeakPolarHBondContact O-CB 3.43Å; Q407-N410 PolarHBondContact O-N 3.28Å; Q407-A411 WeakPolarHBondContact O-CB 3.36Å; Q407-A411 PolarHBondContact O-N 2.83Å
408	P	92.9	Very high	94.9	Very high	29 Å²	29	26.4 Å²	26.4	19%	0.188	14%	0.138	C	C	.	.	H	α-helix	trans	-62.8	-41.1	177.1	-21.2	34	0	0	0	112.7	A201 P402 G405 N410 A411 A412	A201-P408 HydrophobicContact CB-CB 3.51Å; P402-P408 HydrophobicContact CB-CB 4.35Å; P402-P408 HydrophobicContact CB-CG 4.15Å; G405-P408 WeakPolarHBondContact O-CD 3.41Å; P408-N410 VanDerWaalsContact C-N 3.35Å; P408-A411 PolarHBondContact O-N 3.43Å; P408-A412 PolarHBondContact O-N 3.44Å
409	G	93.8	Very high	94.8	Very high	12 Å²	12	26.6 Å²	26.6	12%	0.124	14%	0.138	C	C	.	.	H	α-helix	trans	-67.9	-34.8	175.8	0	0	0	0	0	112.6	D406 Q407 A412 R413	D406-G409 PolarHBondContact O-N 3.31Å; D406-G409 VanDerWaalsContact O-N 3.11Å; Q407-G409 PolarHBondContact O-N 3.49Å; G409-A412 PolarHBondContact O-N 2.85Å; G409-R413 WeakPolarHBondContact O-CG 3.3Å; G409-R413 PolarHBondContact O-N 3.32Å; G409-R413 VanDerWaalsContact O-N 3.12Å; G409-R413 PolarHBondContact O-NH1 3.18Å
410	N	95.7	Very high	94.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-64.5	-44.6	173.1	-66.6	-17	0	0	0	111.4	A383 Y385 L388 D406 Q407 P408 A412 R413 A414	A383-N410 HydrophobicContact CB-CB 4.28Å; A383-N410 WeakPolarHBondContact O-CB 3.44Å; A383-N410 PolarHBondContact O-ND2 3.35Å; Y385-N410 PolarHBondContact N-ND2 3.16Å; L388-N410 HydrophobicContact CD2-CB 3.86Å; D406-N410 VanDerWaalsContact O-CG 3.25Å; D406-N410 PolarHBondContact O-N 2.85Å; D406-N410 PolarHBondContact O-ND2 3.32Å; D406-N410 PolarHBondContact O-OD1 3.12Å; D406-N410 PolarHBondContact OD2-ND2 3.43Å; Q407-N410 WeakPolarHBondContact O-CB 3.43Å; Q407-N410 PolarHBondContact O-N 3.28Å; P408-N410 VanDerWaalsContact C-N 3.35Å; N410-A412 VanDerWaalsContact C-N 3.35Å; N410-A412 PolarHBondContact O-N 2.96Å; N410-R413 PolarHBondContact O-N 2.93Å; N410-A414 PolarHBondContact O-N 2.87Å; N410-A414 VanDerWaalsContact O-N 3.13Å
411	A	96.9	Very high	94.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.5	-43.2	175.6	0	0	0	0	0	111.6	A383 M400 P402 Q407 P408 R413 A414 V415 Q422	A383-A411 HydrophobicContact CB-CB 4.1Å; M400-A411 HydrophobicContact CB-CB 3.92Å; M400-A411 HydrophobicContact SD-CB 4.05Å; P402-A411 HydrophobicContact CB-CB 4.33Å; P402-A411 HydrophobicContact CG-CB 4.06Å; Q407-A411 WeakPolarHBondContact O-CB 3.36Å; Q407-A411 PolarHBondContact O-N 2.83Å; P408-A411 PolarHBondContact O-N 3.43Å; A411-R413 VanDerWaalsContact C-N 3.34Å; A411-R413 PolarHBondContact O-N 2.97Å; A411-A414 PolarHBondContact O-N 3.46Å; A411-V415 WeakPolarHBondContact O-CG2 3.39Å; A411-V415 PolarHBondContact O-N 2.94Å; A411-Q422 HydrophobicContact CB-CG 4.31Å
412	A	96.1	Very high	94.8	Very high	9 Å²	9	31.9 Å²	31.9	7%	0.074	17%	0.165	C	C	.	.	H	α-helix	trans	-58.9	-42.2	176.8	0	0	0	0	0	112.4	F269 P408 G409 N410 V415 R416	F269-A412 HydrophobicContact CZ-CB 4.14Å; P408-A412 PolarHBondContact O-N 3.44Å; G409-A412 PolarHBondContact O-N 2.85Å; N410-A412 VanDerWaalsContact C-N 3.35Å; N410-A412 PolarHBondContact O-N 2.96Å; A412-V415 PolarHBondContact O-N 3.48Å; A412-R416 VanDerWaalsContact O-CB 3.27Å; A412-R416 WeakPolarHBondContact O-CB 3.32Å; A412-R416 PolarHBondContact O-N 3.03Å
413	R	96.2	Very high	94.9	Very high	23 Å²	23	31.4 Å²	31.4	9%	0.087	16%	0.162	C	C	.	.	H	α-helix	trans	-61.3	-45.8	174.6	-73.1	175.5	-178.8	86.6	2.7	112.2	N176 D268 F269 G409 N410 A411 R416 H417	N176-R413 PolarHBondContact O-NE 3.29Å; N176-R413 PolarHBondContact O-NH2 3.16Å; D268-R413 IonicContact OD1-CZ 3.73Å; D268-R413 IonicContact OD1-NE 3.84Å; D268-R413 PolarHBondContact OD1-NE 3.1Å; D268-R413 IonicContact OD1-NH2 2.89Å; D268-R413 PolarHBondContact OD1-NH2 2.97Å; F269-R413 HydrophobicContact CD1-CG 4.37Å; F269-R413 HydrophobicContact CD2-CG 4.02Å; F269-R413 HydrophobicContact CE1-CG 3.99Å; F269-R413 HydrophobicContact CE2-CG 3.62Å; F269-R413 HydrophobicContact CG-CG 4.38Å; F269-R413 HydrophobicContact CZ-CB 4.32Å; F269-R413 HydrophobicContact CZ-CG 3.59Å; G409-R413 WeakPolarHBondContact O-CG 3.3Å; G409-R413 PolarHBondContact O-N 3.32Å; G409-R413 VanDerWaalsContact O-N 3.12Å; G409-R413 PolarHBondContact O-NH1 3.18Å; N410-R413 PolarHBondContact O-N 2.93Å; A411-R413 VanDerWaalsContact C-N 3.34Å; A411-R413 PolarHBondContact O-N 2.97Å; R413-R416 WeakPolarHBondContact O-CB 3.47Å; R413-R416 PolarHBondContact O-N 3.25Å; R413-H417 PolarHBondContact O-CD2 2.82Å; R413-H417 PolarHBondContact O-N 2.91Å; R413-H417 VanDerWaalsContact O-N 3.1Å
414	A	97.4	Very high	95	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.008	17%	0.173	C	C	.	.	H	α-helix	trans	-65.4	-40.9	179.4	0	0	0	0	0	112.7	L388 M400 N410 A411 H417 K418 L419	L388-A414 HydrophobicContact CD1-CB 3.75Å; M400-A414 HydrophobicContact CE-CB 3.68Å; M400-A414 HydrophobicContact SD-CB 3.28Å; M400-A414 WeakPolarHBondContact SD-CB 3.33Å; N410-A414 PolarHBondContact O-N 2.87Å; N410-A414 VanDerWaalsContact O-N 3.13Å; A411-A414 PolarHBondContact O-N 3.46Å; A414-H417 CarbonylContact O-C 3.04Å; A414-H417 PolarHBondContact O-N 3.23Å; A414-K418 PolarHBondContact O-N 2.9Å; A414-K418 VanDerWaalsContact O-N 3.17Å; A414-L419 HydrophobicContact CB-CB 4.47Å; A414-L419 PolarHBondContact O-N 2.91Å
415	V	97.2	Very high	95.3	Very high	60 Å²	60	32.2 Å²	32.2	36%	0.364	17%	0.17	S	C	.	.	H	α-helix	trans	-63.9	-44	174.2	171.5	0	0	0	0	110.8	M400 A411 A412 H417 K418 Q422	M400-V415 HydrophobicContact CE-CG2 3.73Å; A411-V415 WeakPolarHBondContact O-CG2 3.39Å; A411-V415 PolarHBondContact O-N 2.94Å; A412-V415 PolarHBondContact O-N 3.48Å; V415-H417 PolarHBondContact O-N 3.47Å; V415-K418 WeakPolarHBondContact O-CA 3.3Å; V415-K418 PolarHBondContact O-N 3.24Å; V415-Q422 HydrophobicContact CG2-CB 4.08Å
416	R	95.4	Very high	95.6	Very high	109 Å²	109	35.1 Å²	35.1	41%	0.411	18%	0.182	S	C	.	.	H	α-helix	trans	-53.9	-39.7	175.2	178	71.1	167.3	83.8	6.2	112.1	D204 F269 A412 R413 K418	D204-R416 VanDerWaalsContact OD1-CD 3.3Å; D204-R416 WeakPolarHBondContact OD1-CD 3.22Å; D204-R416 IonicContact OD1-CZ 2.63Å; D204-R416 IonicContact OD1-NE 3Å; D204-R416 PolarHBondContact OD1-NE 3Å; D204-R416 IonicContact OD1-NH2 3.07Å; D204-R416 IonicContact OD2-CZ 3.44Å; D204-R416 IonicContact OD2-NE 3.46Å; D204-R416 PolarHBondContact OD2-NE 3.31Å; D204-R416 IonicContact OD2-NH2 2.69Å; D204-R416 PolarHBondContact OD2-NH2 2.82Å; F269-R416 HydrophobicContact CD1-CG 4.26Å; F269-R416 HydrophobicContact CE1-CB 3.84Å; F269-R416 HydrophobicContact CE1-CG 3.82Å; A412-R416 VanDerWaalsContact O-CB 3.27Å; A412-R416 WeakPolarHBondContact O-CB 3.32Å; A412-R416 PolarHBondContact O-N 3.03Å; R413-R416 WeakPolarHBondContact O-CB 3.47Å; R413-R416 PolarHBondContact O-N 3.25Å; R416-K418 VanDerWaalsContact C-N 3.3Å
417	H	96.5	Very high	95.9	Very high	31 Å²	31	40 Å²	40	14%	0.144	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	0.9	177.9	-68.6	-54.6	0	0	0	114.3	F266 I267 R413 A414 V415 L419 R449 F453	F266-H417 PolarHBondContact O-CE1 3.04Å; F266-H417 VanDerWaalsContact O-CE1 3.23Å; F266-H417 PolarHBondContact O-NE2 3.14Å; I267-H417 PolarHBondContact O-NE2 3.46Å; I267-H417 VanDerWaalsContact O-NE2 3.15Å; R413-H417 PolarHBondContact O-CD2 2.82Å; R413-H417 PolarHBondContact O-N 2.91Å; R413-H417 VanDerWaalsContact O-N 3.1Å; A414-H417 CarbonylContact O-C 3.04Å; A414-H417 PolarHBondContact O-N 3.23Å; V415-H417 PolarHBondContact O-N 3.47Å; H417-L419 VanDerWaalsContact C-N 3.3Å; H417-L419 HydrophobicContact CB-CD1 3.98Å; H417-L419 HydrophobicContact CB-CD2 4.4Å; H417-L419 HydrophobicContact CB-CG 3.77Å; H417-L419 PolarHBondContact O-N 2.96Å; H417-R449 PolarHBondContact O-NE 3.28Å; H417-R449 PolarHBondContact O-NH2 3.44Å; H417-F453 HydrophobicContact CB-CE2 4.33Å; H417-F453 HydrophobicContact CB-CZ 4.39Å; H417-F453 AromaticContact CG-CE2 3.99Å; H417-F453 AromaticContact CG-CZ 3.93Å; H417-F453 AromaticContact ND1-CE2 3.84Å
418	K	97.2	Very high	96.1	Very high	147 Å²	147	40.1 Å²	40.1	64%	0.639	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	36.4	-177.8	-53.9	178.3	-178.2	179.1	0	113.1	A414 V415 R416 G420 R449	A414-K418 PolarHBondContact O-N 2.9Å; A414-K418 VanDerWaalsContact O-N 3.17Å; V415-K418 WeakPolarHBondContact O-CA 3.3Å; V415-K418 PolarHBondContact O-N 3.24Å; R416-K418 VanDerWaalsContact C-N 3.3Å; K418-G420 VanDerWaalsContact C-N 3.33Å; K418-R449 HydrophobicContact CB-CG 4.18Å; K418-R449 WeakPolarHBondContact O-CG 3.25Å
419	L	98	Very high	96.3	Very high	3 Å²	3	41 Å²	41	2%	0.016	21%	0.207	C	C	.	.	S	Bend	trans	-87.2	-7	179.3	-55.5	178.3	0	0	0	112.8	T392 P397 M398 A414 H417 F453	T392-L419 HydrophobicContact CG2-CD1 3.81Å; P397-L419 WeakPolarHBondContact CA-O 2.96Å; M398-L419 HydrophobicContact CE-CB 4.35Å; M398-L419 PolarHBondContact N-O 3.29Å; M398-L419 VanDerWaalsContact N-O 3.12Å; A414-L419 HydrophobicContact CB-CB 4.47Å; A414-L419 PolarHBondContact O-N 2.91Å; H417-L419 VanDerWaalsContact C-N 3.3Å; H417-L419 HydrophobicContact CB-CD1 3.98Å; H417-L419 HydrophobicContact CB-CD2 4.4Å; H417-L419 HydrophobicContact CB-CG 3.77Å; H417-L419 PolarHBondContact O-N 2.96Å; L419-F453 HydrophobicContact CD1-CD1 3.99Å; L419-F453 HydrophobicContact CD1-CE1 4.05Å; L419-F453 HydrophobicContact CD2-CB 3.84Å; L419-F453 HydrophobicContact CD2-CD1 3.98Å; L419-F453 HydrophobicContact CD2-CG 3.95Å
420	G	98	Very high	96.6	Very high	3 Å²	3	40.6 Å²	40.6	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.8	-170	-171.8	0	0	0	0	0	113.6	M398 K418	M398-G420 CarbonylContact O-C 3.55Å; M398-G420 WeakPolarHBondContact O-CA 3.41Å; K418-G420 VanDerWaalsContact C-N 3.33Å
421	L	98.3	Very high	96.7	Very high	36 Å²	36	45.5 Å²	45.5	19%	0.188	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	143.5	-177.8	-57.7	171.4	0	0	0	109.5	M398 I399 M400 K436 L439 L440 F446	M398-L421 PolarHBondContact O-N 2.89Å; I399-L421 CarbonylContact C-O 3.58Å; I399-L421 WeakPolarHBondContact CA-O 3.42Å; M400-L421 PolarHBondContact N-O 3.5Å; L421-K436 HydrophobicContact CD1-CB 4.31Å; L421-K436 HydrophobicContact CD1-CD 3.93Å; L421-L439 HydrophobicContact CD1-CB 4.45Å; L421-L439 HydrophobicContact CD1-CD2 3.64Å; L421-L439 HydrophobicContact CD1-CG 4.16Å; L421-L440 HydrophobicContact CD1-CD1 4.31Å; L421-L440 HydrophobicContact CD1-CD2 4.03Å; L421-L440 HydrophobicContact CD1-CG 3.93Å; L421-L440 HydrophobicContact CG-CD1 4.41Å; L421-L440 HydrophobicContact CG-CD2 4.07Å; L421-L440 HydrophobicContact CG-CG 4.34Å; L421-F446 HydrophobicContact CD2-CE1 4.32Å; L421-F446 HydrophobicContact CD2-CZ 4.2Å
422	Q	96.7	Very high	96.8	Very high	72 Å²	72	47.3 Å²	47.3	34%	0.336	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	132.2	170.8	-174.9	178.9	-9.9	0	0	109.7	M400 P402 A411 V415	M400-Q422 CarbonylContact O-C 3.59Å; M400-Q422 WeakPolarHBondContact O-CA 3.19Å; P402-Q422 HydrophobicContact CG-CG 4.03Å; A411-Q422 HydrophobicContact CB-CG 4.31Å; V415-Q422 HydrophobicContact CG2-CB 4.08Å
423	L	97.2	Very high	96.9	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.042	24%	0.236	C	C	.	.			trans	-129.1	105.8	174.7	-179.7	56.9	0	0	0	108.9	I399 M400 I401 I425 K427 I428 M433 K436	I399-L423 HydrophobicContact CG2-CB 3.93Å; M400-L423 PolarHBondContact O-N 2.86Å; I401-L423 WeakPolarHBondContact CA-O 3.45Å; L423-I425 PolarHBondContact O-N 3.42Å; L423-K427 HydrophobicContact CD1-CB 4.07Å; L423-I428 HydrophobicContact CD2-CG1 3.95Å; L423-I428 HydrophobicContact CG-CG1 4.01Å; L423-M433 HydrophobicContact CD2-CE 3.62Å; L423-M433 HydrophobicContact CD2-SD 4.17Å; L423-K436 HydrophobicContact CD2-CG 4.37Å
424	P	94.2	Very high	97	Very high	48 Å²	48	47.6 Å²	47.6	31%	0.312	24%	0.24	S	C	.	.			trans	-57.4	136.6	174	-23.8	34	0	0	0	110.8	T426 K427	P424-T426 PolarHBondContact O-N 3.49Å; P424-T426 VanDerWaalsContact O-N 3.16Å; P424-K427 HydrophobicContact CB-CG 4.35Å; P424-K427 HydrophobicContact CG-CD 4.29Å; P424-K427 WeakPolarHBondContact O-CB 3.45Å; P424-K427 PolarHBondContact O-N 3.22Å
425	I	93.5	Very high	97.1	Very high	13 Å²	13	52.4 Å²	52.4	7%	0.067	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-55.5	-33.8	-179.6	-170.3	167.1	0	0	0	113.5	I103 I320 T324 I401 L403 L423 K427 I428	I103-I425 HydrophobicContact CG2-CD1 3.9Å; I103-I425 WeakPolarHBondContact O-CG2 3.48Å; I320-I425 HydrophobicContact CG2-CD1 4.37Å; T324-I425 HydrophobicContact CG2-CG1 4.11Å; I401-I425 HydrophobicContact CG2-CB 3.69Å; I401-I425 HydrophobicContact CG2-CG1 4.27Å; L403-I425 HydrophobicContact CD2-CB 4.18Å; L403-I425 HydrophobicContact CD2-CD1 3.71Å; L403-I425 HydrophobicContact CD2-CG2 4.26Å; L423-I425 PolarHBondContact O-N 3.42Å; I425-K427 PolarHBondContact O-N 3.04Å; I425-I428 HydrophobicContact CB-CD1 4.41Å; I425-I428 HydrophobicContact CG1-CD1 4.19Å; I425-I428 WeakPolarHBondContact O-CB 3.38Å; I425-I428 PolarHBondContact O-N 3.06Å
426	T	92.8	Very high	97.1	Very high	92 Å²	92	52 Å²	52	56%	0.564	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-68.5	-13.4	176.2	52.3	0	0	0	0	114.4	P424	P424-T426 PolarHBondContact O-N 3.49Å; P424-T426 VanDerWaalsContact O-N 3.16Å
427	K	96	Very high	97.3	Very high	135 Å²	135	46.8 Å²	46.8	59%	0.587	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-104.6	4.5	178	-64.4	-169.6	175.4	-174	0	112.7	L423 P424 I425 T429 T432	L423-K427 HydrophobicContact CD1-CB 4.07Å; P424-K427 HydrophobicContact CB-CG 4.35Å; P424-K427 HydrophobicContact CG-CD 4.29Å; P424-K427 WeakPolarHBondContact O-CB 3.45Å; P424-K427 PolarHBondContact O-N 3.22Å; I425-K427 PolarHBondContact O-N 3.04Å; K427-T429 PolarHBondContact O-N 3.4Å; K427-T432 PolarHBondContact O-OG1 3.46Å
428	I	97.5	Very high	97.4	Very high	12 Å²	12	49.5 Å²	49.5	6%	0.062	25%	0.245	C	C	.	.			trans	-74.1	117.7	177.9	-65	177.8	0	0	0	109.1	T324 E327 L328 I401 L423 I425 M433	T324-I428 HydrophobicContact CG2-CB 4.21Å; T324-I428 HydrophobicContact CG2-CD1 4.26Å; T324-I428 HydrophobicContact CG2-CG2 4.12Å; E327-I428 HydrophobicContact CB-CG2 4.5Å; L328-I428 HydrophobicContact CD2-CG2 3.97Å; L328-I428 HydrophobicContact CG-CG2 4.11Å; I401-I428 HydrophobicContact CD1-CD1 3.71Å; I401-I428 HydrophobicContact CG1-CD1 4.2Å; I401-I428 HydrophobicContact CG2-CD1 3.97Å; L423-I428 HydrophobicContact CD2-CG1 3.95Å; L423-I428 HydrophobicContact CG-CG1 4.01Å; I425-I428 HydrophobicContact CB-CD1 4.41Å; I425-I428 HydrophobicContact CG1-CD1 4.19Å; I425-I428 WeakPolarHBondContact O-CB 3.38Å; I425-I428 PolarHBondContact O-N 3.06Å; I428-M433 HydrophobicContact CD1-CE 4.12Å; I428-M433 HydrophobicContact CG1-CE 4.24Å; I428-M433 HydrophobicContact CG2-CE 4.37Å
429	T	98.4	Very high	97.5	Very high	48 Å²	48	45.8 Å²	45.8	29%	0.294	23%	0.232	S	C	.	.			trans	-129.7	168.6	160.8	67.7	0	0	0	0	107.7	E327 K427 D431 T432 M433	E327-T429 WeakPolarHBondContact OE2-CA 3.41Å; E327-T429 WeakPolarHBondContact OE2-CB 3.24Å; K427-T429 PolarHBondContact O-N 3.4Å; T429-D431 PolarHBondContact O-N 3.29Å; T429-T432 PolarHBondContact N-OG1 2.71Å; T429-T432 PolarHBondContact O-N 2.95Å; T429-T432 PolarHBondContact O-OG1 3.49Å; T429-T432 WeakPolarHBondContact OG1-CG2 3.31Å; T429-T432 PolarHBondContact OG1-N 2.95Å; T429-T432 VanDerWaalsContact OG1-N 3.16Å; T429-T432 PolarHBondContact OG1-OG1 3.33Å; T429-M433 WeakPolarHBondContact O-CB 3.41Å; T429-M433 PolarHBondContact O-N 3.29Å
430	A	98.6	Very high	97.5	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.017	23%	0.232	C	C	.	.	H	α-helix	trans	-55.3	-43.9	175.5	0	0	0	0	0	111	E327 E330 E434	E327-A430 WeakPolarHBondContact O-CA 3.3Å; E327-A430 PolarHBondContact OE2-N 2.91Å; E330-A430 HydrophobicContact CB-CB 3.89Å; E330-A430 HydrophobicContact CG-CB 3.84Å; A430-E434 VanDerWaalsContact O-CB 3.27Å; A430-E434 WeakPolarHBondContact O-CB 3.4Å; A430-E434 PolarHBondContact O-N 3.46Å
431	D	98.7	Very high	97.5	Very high	103 Å²	103	46.9 Å²	46.9	55%	0.551	24%	0.237	S	C	*	.	H	α-helix	trans	-67.6	-46.6	179.9	-59.4	-24.1	0	0	0	112.8	R334 T429 M433 E434 E435	R334-D431 IonicContact CZ-OD1 2.93Å; R334-D431 IonicContact NH1-OD1 3.09Å; R334-D431 PolarHBondContact NH1-OD1 2.96Å; R334-D431 IonicContact NH2-OD1 2.76Å; R334-D431 PolarHBondContact NH2-OD1 3.29Å; R334-D431 VanDerWaalsContact NH2-OD1 3.13Å; T429-D431 PolarHBondContact O-N 3.29Å; D431-M433 VanDerWaalsContact C-N 3.33Å; D431-M433 PolarHBondContact O-N 3.44Å; D431-E434 PolarHBondContact O-N 3.38Å; D431-E435 WeakPolarHBondContact O-CB 3.43Å; D431-E435 PolarHBondContact O-N 3.32Å
432	T	98.5	Very high	97.4	Very high	38 Å²	38	50.2 Å²	50.2	23%	0.233	26%	0.255	C	S	.	.	H	α-helix	trans	-68.5	-36.8	-179.2	61.6	0	0	0	0	111.1	K427 T429 K436	K427-T432 PolarHBondContact O-OG1 3.46Å; T429-T432 PolarHBondContact N-OG1 2.71Å; T429-T432 PolarHBondContact O-N 2.95Å; T429-T432 PolarHBondContact O-OG1 3.49Å; T429-T432 WeakPolarHBondContact OG1-CG2 3.31Å; T429-T432 PolarHBondContact OG1-N 2.95Å; T429-T432 VanDerWaalsContact OG1-N 3.16Å; T429-T432 PolarHBondContact OG1-OG1 3.33Å; T432-K436 WeakPolarHBondContact O-CG 3.26Å; T432-K436 PolarHBondContact O-N 2.97Å
433	M	98.6	Very high	97.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.2	-45.9	175.9	-175.2	55.7	73.8	0	0	111	L328 A331 I380 I399 I401 L423 I428 T429 D431 E435 K436 M437	L328-M433 HydrophobicContact CD2-CE 3.54Å; L328-M433 HydrophobicContact CD2-CG 4.28Å; A331-M433 HydrophobicContact CB-CB 3.74Å; A331-M433 HydrophobicContact CB-CG 3.73Å; I380-M433 HydrophobicContact CD1-SD 4.15Å; I399-M433 HydrophobicContact CD1-SD 3.98Å; I401-M433 HydrophobicContact CD1-CE 4Å; L423-M433 HydrophobicContact CD2-CE 3.62Å; L423-M433 HydrophobicContact CD2-SD 4.17Å; I428-M433 HydrophobicContact CD1-CE 4.12Å; I428-M433 HydrophobicContact CG1-CE 4.24Å; I428-M433 HydrophobicContact CG2-CE 4.37Å; T429-M433 WeakPolarHBondContact O-CB 3.41Å; T429-M433 PolarHBondContact O-N 3.29Å; D431-M433 VanDerWaalsContact C-N 3.33Å; D431-M433 PolarHBondContact O-N 3.44Å; M433-E435 PolarHBondContact O-N 2.92Å; M433-K436 PolarHBondContact O-N 3.48Å; M433-M437 HydrophobicContact CG-CG 4.28Å; M433-M437 HydrophobicContact CG-SD 3.7Å; M433-M437 WeakPolarHBondContact O-CB 3.44Å; M433-M437 VanDerWaalsContact O-CG 3.23Å; M433-M437 WeakPolarHBondContact O-CG 3.45Å; M433-M437 PolarHBondContact O-N 2.92Å; M433-M437 HydrophobicContact SD-CG 4.08Å; M433-M437 HydrophobicContact SD-SD 4.11Å
434	E	98.7	Very high	97.4	Very high	39 Å²	39	55.1 Å²	55.1	18%	0.182	28%	0.284	C	S	.	.	H	α-helix	trans	-56.5	-48.9	174.7	179.1	-177.7	-170.3	0	0	111.6	R334 F335 A430 D431 K436 M437 R438	R334-E434 WeakPolarHBondContact CD-OE2 3.13Å; R334-E434 IonicContact CZ-OE2 2.68Å; R334-E434 IonicContact NE-OE2 3.33Å; R334-E434 IonicContact NH1-OE2 2.83Å; R334-E434 PolarHBondContact NH1-OE2 3.26Å; F335-E434 HydrophobicContact CE2-CB 4.2Å; F335-E434 HydrophobicContact CE2-CG 3.91Å; F335-E434 HydrophobicContact CZ-CB 4.44Å; F335-E434 HydrophobicContact CZ-CG 3.86Å; A430-E434 VanDerWaalsContact O-CB 3.27Å; A430-E434 WeakPolarHBondContact O-CB 3.4Å; A430-E434 PolarHBondContact O-N 3.46Å; D431-E434 PolarHBondContact O-N 3.38Å; E434-K436 VanDerWaalsContact C-N 3.32Å; E434-K436 PolarHBondContact O-N 3.48Å; E434-M437 PolarHBondContact O-N 3.42Å; E434-R438 HydrophobicContact CG-CG 4.2Å; E434-R438 WeakPolarHBondContact O-CG 2.98Å; E434-R438 PolarHBondContact O-N 3.42Å; E434-R438 IonicContact OE1-CZ 3.2Å; E434-R438 IonicContact OE1-NE 2.79Å; E434-R438 PolarHBondContact OE1-NE 3.24Å; E434-R438 IonicContact OE1-NH2 2.74Å; E434-R438 PolarHBondContact OE1-NH2 3.36Å
435	E	98.6	Very high	97.5	Very high	102 Å²	102	60.7 Å²	60.7	48%	0.477	30%	0.303	S	S	.	.	H	α-helix	trans	-54.2	-48.4	179.2	-173	-147.6	134.4	0	0	111.1	D431 M433 L439	D431-E435 WeakPolarHBondContact O-CB 3.43Å; D431-E435 PolarHBondContact O-N 3.32Å; M433-E435 PolarHBondContact O-N 2.92Å; E435-L439 WeakPolarHBondContact O-CB 3.21Å; E435-L439 PolarHBondContact O-N 2.87Å
436	K	98.6	Very high	97.7	Very high	50 Å²	50	61.8 Å²	61.8	22%	0.217	31%	0.307	C	S	.	.	H	α-helix	trans	-69.6	-37.1	179.6	-60.1	-48.4	169.6	-155.5	0	112.5	I399 L421 L423 T432 M433 E434 L440	I399-K436 HydrophobicContact CD1-CB 3.74Å; I399-K436 HydrophobicContact CG1-CB 4.37Å; L421-K436 HydrophobicContact CD1-CB 4.31Å; L421-K436 HydrophobicContact CD1-CD 3.93Å; L423-K436 HydrophobicContact CD2-CG 4.37Å; T432-K436 WeakPolarHBondContact O-CG 3.26Å; T432-K436 PolarHBondContact O-N 2.97Å; M433-K436 PolarHBondContact O-N 3.48Å; E434-K436 VanDerWaalsContact C-N 3.32Å; E434-K436 PolarHBondContact O-N 3.48Å; K436-L440 PolarHBondContact O-N 3.22Å
437	M	98.8	Very high	97.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.8	-49.5	176.6	-73.3	174.3	67.5	0	0	111	I307 F332 F335 L378 I380 I399 M433 E434 L439 L440 L441	I307-M437 HydrophobicContact CD1-CE 3.63Å; I307-M437 HydrophobicContact CG2-CE 4.29Å; F332-M437 HydrophobicContact CD1-CE 4.24Å; F332-M437 HydrophobicContact CD1-SD 4.29Å; F332-M437 HydrophobicContact CE1-SD 4.31Å; F335-M437 HydrophobicContact CD1-CE 4.41Å; F335-M437 HydrophobicContact CD2-CE 3.52Å; F335-M437 HydrophobicContact CD2-SD 4.21Å; F335-M437 HydrophobicContact CE1-CB 4.03Å; F335-M437 HydrophobicContact CE1-CE 4.49Å; F335-M437 HydrophobicContact CE2-CB 3.89Å; F335-M437 HydrophobicContact CE2-CE 3.65Å; F335-M437 HydrophobicContact CE2-CG 4.48Å; F335-M437 HydrophobicContact CE2-SD 3.81Å; F335-M437 HydrophobicContact CG-CE 3.94Å; F335-M437 HydrophobicContact CZ-CB 3.43Å; F335-M437 VanDerWaalsContact CZ-CB 3.43Å; F335-M437 HydrophobicContact CZ-CE 4.14Å; F335-M437 HydrophobicContact CZ-CG 4.47Å; F335-M437 HydrophobicContact CZ-SD 4.36Å; L378-M437 HydrophobicContact CD2-CB 4.19Å; L378-M437 HydrophobicContact CD2-CG 3.87Å; I380-M437 HydrophobicContact CD1-CG 4.34Å; I380-M437 HydrophobicContact CD1-SD 4.14Å; I399-M437 HydrophobicContact CD1-CB 4.5Å; I399-M437 HydrophobicContact CD1-CG 3.72Å; M433-M437 HydrophobicContact CG-CG 4.28Å; M433-M437 HydrophobicContact CG-SD 3.7Å; M433-M437 WeakPolarHBondContact O-CB 3.44Å; M433-M437 VanDerWaalsContact O-CG 3.23Å; M433-M437 WeakPolarHBondContact O-CG 3.45Å; M433-M437 PolarHBondContact O-N 2.92Å; M433-M437 HydrophobicContact SD-CG 4.08Å; M433-M437 HydrophobicContact SD-SD 4.11Å; E434-M437 PolarHBondContact O-N 3.42Å; M437-L439 VanDerWaalsContact C-N 3.33Å; M437-L439 PolarHBondContact O-N 3.43Å; M437-L440 PolarHBondContact O-N 3.48Å; M437-L440 VanDerWaalsContact O-N 3.16Å; M437-L441 HydrophobicContact CB-CD1 4.32Å; M437-L441 WeakPolarHBondContact O-CB 3.33Å; M437-L441 VanDerWaalsContact O-CG 3.28Å; M437-L441 WeakPolarHBondContact O-CG 3.41Å; M437-L441 PolarHBondContact O-N 3.46Å
438	R	98.5	Very high	98.1	Very high	89 Å²	89	54.9 Å²	54.9	34%	0.336	29%	0.285	S	S	.	.	H	α-helix	trans	-57.7	-45.3	175.1	-71.2	-168.6	-175.7	-69.9	-6.1	111.5	F335 E434 L440 L441 D442	F335-R438 HydrophobicContact CE1-CG 3.8Å; F335-R438 HydrophobicContact CZ-CG 3.73Å; E434-R438 HydrophobicContact CG-CG 4.2Å; E434-R438 WeakPolarHBondContact O-CG 2.98Å; E434-R438 PolarHBondContact O-N 3.42Å; E434-R438 IonicContact OE1-CZ 3.2Å; E434-R438 IonicContact OE1-NE 2.79Å; E434-R438 PolarHBondContact OE1-NE 3.24Å; E434-R438 IonicContact OE1-NH2 2.74Å; E434-R438 PolarHBondContact OE1-NH2 3.36Å; R438-L440 PolarHBondContact O-N 3.18Å; R438-L441 PolarHBondContact O-N 3.07Å; R438-D442 VanDerWaalsContact O-CB 3.25Å; R438-D442 WeakPolarHBondContact O-CB 3.34Å; R438-D442 PolarHBondContact O-N 2.81Å
439	L	98.4	Very high	98.1	Very high	68 Å²	68	58.6 Å²	58.6	36%	0.356	30%	0.298	S	S	.	.	H	α-helix	trans	-58.2	-34	178.7	179.9	58.2	0	0	0	113.2	L421 E435 M437 N443 F446	L421-L439 HydrophobicContact CD1-CB 4.45Å; L421-L439 HydrophobicContact CD1-CD2 3.64Å; L421-L439 HydrophobicContact CD1-CG 4.16Å; E435-L439 WeakPolarHBondContact O-CB 3.21Å; E435-L439 PolarHBondContact O-N 2.87Å; M437-L439 VanDerWaalsContact C-N 3.33Å; M437-L439 PolarHBondContact O-N 3.43Å; L439-N443 WeakPolarHBondContact O-CB 3.29Å; L439-F446 HydrophobicContact CD1-CE2 4.24Å; L439-F446 HydrophobicContact CG-CE2 4.09Å
440	L	98.5	Very high	98.1	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-89	-31	179	-68.2	-179.2	0	0	0	113.8	L378 P397 M398 I399 L421 K436 M437 R438 F446	L378-L440 HydrophobicContact CD1-CB 3.98Å; L378-L440 HydrophobicContact CD1-CD1 3.5Å; L378-L440 VanDerWaalsContact CD1-CD1 3.5Å; L378-L440 HydrophobicContact CD1-CG 4.41Å; P397-L440 HydrophobicContact CB-CD2 4.49Å; M398-L440 WeakPolarHBondContact O-CD1 3.48Å; I399-L440 HydrophobicContact CD1-CD1 4.33Å; I399-L440 HydrophobicContact CG1-CD1 3.52Å; L421-L440 HydrophobicContact CD1-CD1 4.31Å; L421-L440 HydrophobicContact CD1-CD2 4.03Å; L421-L440 HydrophobicContact CD1-CG 3.93Å; L421-L440 HydrophobicContact CG-CD1 4.41Å; L421-L440 HydrophobicContact CG-CD2 4.07Å; L421-L440 HydrophobicContact CG-CG 4.34Å; K436-L440 PolarHBondContact O-N 3.22Å; M437-L440 PolarHBondContact O-N 3.48Å; M437-L440 VanDerWaalsContact O-N 3.16Å; R438-L440 PolarHBondContact O-N 3.18Å; L440-F446 HydrophobicContact CD2-CB 3.8Å; L440-F446 HydrophobicContact CD2-CD1 3.38Å; L440-F446 HydrophobicContact CD2-CD2 3.57Å; L440-F446 HydrophobicContact CD2-CE1 3.71Å; L440-F446 HydrophobicContact CD2-CE2 3.88Å; L440-F446 HydrophobicContact CD2-CG 3.3Å; L440-F446 HydrophobicContact CD2-CZ 3.95Å
441	L	98.1	Very high	98.1	Very high	26 Å²	26	62.8 Å²	62.8	14%	0.136	31%	0.313	C	S	.	.	H	α-helix	trans	-82.2	-37.5	-178.4	-69.7	166.1	0	0	0	112.5	I307 F335 F338 K377 L378 M437 R438	I307-L441 HydrophobicContact CD1-CD1 3.71Å; I307-L441 HydrophobicContact CD1-CD2 4.49Å; F335-L441 HydrophobicContact CD1-CD1 3.95Å; F335-L441 HydrophobicContact CE1-CD1 3.86Å; F338-L441 HydrophobicContact CD2-CD1 4.28Å; F338-L441 HydrophobicContact CE1-CD2 4.26Å; F338-L441 HydrophobicContact CE2-CD1 3.87Å; F338-L441 HydrophobicContact CE2-CD2 4.35Å; F338-L441 HydrophobicContact CZ-CD1 4.32Å; F338-L441 HydrophobicContact CZ-CD2 3.98Å; K377-L441 HydrophobicContact CB-CD2 3.85Å; L378-L441 HydrophobicContact CB-CD2 3.85Å; L378-L441 HydrophobicContact CB-CG 4.43Å; L378-L441 HydrophobicContact CD2-CD1 4.25Å; L378-L441 HydrophobicContact CD2-CD2 4.48Å; L378-L441 HydrophobicContact CD2-CG 4.18Å; M437-L441 HydrophobicContact CB-CD1 4.32Å; M437-L441 WeakPolarHBondContact O-CB 3.33Å; M437-L441 VanDerWaalsContact O-CG 3.28Å; M437-L441 WeakPolarHBondContact O-CG 3.41Å; M437-L441 PolarHBondContact O-N 3.46Å; R438-L441 PolarHBondContact O-N 3.07Å
442	D	97.4	Very high	98.1	Very high	106 Å²	106	60.6 Å²	60.6	57%	0.567	31%	0.308	S	S	*	.	S	Bend	trans	-93.3	-8.6	-173.8	-55.6	-24.5	0	0	0	112.3	R438	R438-D442 VanDerWaalsContact O-CB 3.25Å; R438-D442 WeakPolarHBondContact O-CB 3.34Å; R438-D442 PolarHBondContact O-N 2.81Å
443	N	96.6	Very high	98.1	Very high	54 Å²	54	59 Å²	59	29%	0.289	30%	0.298	S	S	.	.			trans	-113.7	97.5	179.2	-172.5	-12.7	0	0	0	111.7	L439 K445 F446	L439-N443 WeakPolarHBondContact O-CB 3.29Å; N443-K445 PolarHBondContact O-N 2.89Å; N443-K445 VanDerWaalsContact OD1-CB 3.26Å; N443-K445 WeakPolarHBondContact OD1-CB 3.26Å; N443-K445 WeakPolarHBondContact OD1-CG 3.41Å; N443-K445 PolarHBondContact OD1-N 3.48Å; N443-F446 HydrophobicContact CB-CD2 4.17Å; N443-F446 PolarHBondContact O-N 3.47Å; N443-F446 VanDerWaalsContact O-N 3.13Å
444	D	95.9	Very high	98	Very high	129 Å²	129	59.6 Å²	59.6	69%	0.69	30%	0.302	S	S	*	.	H	α-helix	trans	-55.7	-19.6	-178.8	-74.2	-30.5	0	0	0	114.5	F446 A447 A448	D444-F446 PolarHBondContact O-N 3.44Å; D444-A447 PolarHBondContact O-N 3.38Å; D444-A448 VanDerWaalsContact O-CB 3.25Å; D444-A448 WeakPolarHBondContact O-CB 2.98Å; D444-A448 PolarHBondContact O-N 3.25Å
445	K	96.9	Very high	97.9	Very high	164 Å²	164	60.5 Å²	60.5	71%	0.713	32%	0.317	S	S	*	.	H	α-helix	trans	-59.2	-35.6	177.6	-65.6	179.1	178.7	175.1	0	112.2	N443 R449	N443-K445 PolarHBondContact O-N 2.89Å; N443-K445 VanDerWaalsContact OD1-CB 3.26Å; N443-K445 WeakPolarHBondContact OD1-CB 3.26Å; N443-K445 WeakPolarHBondContact OD1-CG 3.41Å; N443-K445 PolarHBondContact OD1-N 3.48Å; K445-R449 WeakPolarHBondContact O-CB 3.01Å; K445-R449 PolarHBondContact O-N 3.33Å
446	F	97.8	Very high	97.9	Very high	36 Å²	36	59.7 Å²	59.7	16%	0.158	31%	0.314	C	S	.	.	H	α-helix	trans	-70.6	-46.2	178.3	-75.4	-79.6	0	0	0	111.6	P397 L421 L439 L440 N443 D444 R449 A450	P397-F446 HydrophobicContact CB-CB 4.13Å; L421-F446 HydrophobicContact CD2-CE1 4.32Å; L421-F446 HydrophobicContact CD2-CZ 4.2Å; L439-F446 HydrophobicContact CD1-CE2 4.24Å; L439-F446 HydrophobicContact CG-CE2 4.09Å; L440-F446 HydrophobicContact CD2-CB 3.8Å; L440-F446 HydrophobicContact CD2-CD1 3.38Å; L440-F446 HydrophobicContact CD2-CD2 3.57Å; L440-F446 HydrophobicContact CD2-CE1 3.71Å; L440-F446 HydrophobicContact CD2-CE2 3.88Å; L440-F446 HydrophobicContact CD2-CG 3.3Å; L440-F446 HydrophobicContact CD2-CZ 3.95Å; N443-F446 HydrophobicContact CB-CD2 4.17Å; N443-F446 PolarHBondContact O-N 3.47Å; N443-F446 VanDerWaalsContact O-N 3.13Å; D444-F446 PolarHBondContact O-N 3.44Å; F446-R449 PolarHBondContact O-N 2.91Å; F446-A450 WeakPolarHBondContact O-CB 3.26Å; F446-A450 PolarHBondContact O-N 2.99Å
447	A	97.9	Very high	97.7	Very high	25 Å²	25	57.5 Å²	57.5	21%	0.207	30%	0.304	C	S	.	.	H	α-helix	trans	-63.3	-43.6	176.2	0	0	0	0	0	111.8	D444 A450 K451	D444-A447 PolarHBondContact O-N 3.38Å; A447-A450 PolarHBondContact O-N 3.32Å; A447-K451 WeakPolarHBondContact O-CB 3.34Å; A447-K451 VanDerWaalsContact O-CG 3.32Å; A447-K451 WeakPolarHBondContact O-CG 3.44Å; A447-K451 PolarHBondContact O-N 2.89Å
448	A	98.4	Very high	97.4	Very high	58 Å²	58	64 Å²	64	48%	0.479	33%	0.329	S	S	.	.	H	α-helix	trans	-62	-43.1	175.9	0	0	0	0	0	111.7	D444 K451 A452	D444-A448 VanDerWaalsContact O-CB 3.25Å; D444-A448 WeakPolarHBondContact O-CB 2.98Å; D444-A448 PolarHBondContact O-N 3.25Å; A448-K451 PolarHBondContact O-N 3.47Å; A448-A452 VanDerWaalsContact O-CB 3.31Å; A448-A452 WeakPolarHBondContact O-CB 3.34Å; A448-A452 PolarHBondContact O-N 3.16Å
449	R	98.4	Very high	97.1	Very high	89 Å²	89	66.6 Å²	66.6	34%	0.336	35%	0.349	S	S	.	.	H	α-helix	trans	-63.6	-45.9	176.6	175.5	56.1	-173.3	152.7	0.6	112	H417 K418 K445 F446 A452 F453	H417-R449 PolarHBondContact O-NE 3.28Å; H417-R449 PolarHBondContact O-NH2 3.44Å; K418-R449 HydrophobicContact CB-CG 4.18Å; K418-R449 WeakPolarHBondContact O-CG 3.25Å; K445-R449 WeakPolarHBondContact O-CB 3.01Å; K445-R449 PolarHBondContact O-N 3.33Å; F446-R449 PolarHBondContact O-N 2.91Å; R449-A452 PolarHBondContact O-N 3.47Å; R449-F453 VanDerWaalsContact NH2-CD2 3.33Å; R449-F453 WeakPolarHBondContact O-CB 3.28Å; R449-F453 PolarHBondContact O-N 3.46Å
450	A	98.5	Very high	96.7	Very high	3 Å²	3	66.8 Å²	66.8	3%	0.025	35%	0.347	C	S	.	.	H	α-helix	trans	-61.7	-44.3	178.6	0	0	0	0	0	111.4	G395 F446 A447 F453 S454	G395-A450 WeakPolarHBondContact CA-O 3.36Å; G395-A450 WeakPolarHBondContact O-CB 3.5Å; F446-A450 WeakPolarHBondContact O-CB 3.26Å; F446-A450 PolarHBondContact O-N 2.99Å; A447-A450 PolarHBondContact O-N 3.32Å; A450-F453 PolarHBondContact O-N 3.35Å; A450-S454 WeakPolarHBondContact O-CB 3.42Å; A450-S454 PolarHBondContact O-N 3.34Å
451	K	98.4	Very high	96.2	Very high	136 Å²	136	75.4 Å²	75.4	59%	0.591	39%	0.392	S	S	*	.	H	α-helix	trans	-63.3	-45.4	175	-73.2	176.3	-179.7	178.8	0	113	A447 A448 F453 S454 A455	A447-K451 WeakPolarHBondContact O-CB 3.34Å; A447-K451 VanDerWaalsContact O-CG 3.32Å; A447-K451 WeakPolarHBondContact O-CG 3.44Å; A447-K451 PolarHBondContact O-N 2.89Å; A448-K451 PolarHBondContact O-N 3.47Å; K451-F453 VanDerWaalsContact C-N 3.31Å; K451-F453 PolarHBondContact O-N 2.85Å; K451-S454 WeakPolarHBondContact O-CB 3.45Å; K451-S454 PolarHBondContact O-N 3.25Å; K451-A455 WeakPolarHBondContact O-CB 3.4Å; K451-A455 PolarHBondContact O-N 2.91Å
452	A	98.5	Very high	95.9	Very high	56 Å²	56	75.8 Å²	75.8	46%	0.463	40%	0.399	S	S	.	.	H	α-helix	trans	-62.1	-40.6	178.1	0	0	0	0	0	111.7	A448 R449 A455 M456	A448-A452 VanDerWaalsContact O-CB 3.31Å; A448-A452 WeakPolarHBondContact O-CB 3.34Å; A448-A452 PolarHBondContact O-N 3.16Å; R449-A452 PolarHBondContact O-N 3.47Å; A452-A455 PolarHBondContact O-N 3.35Å; A452-M456 PolarHBondContact O-N 3.06Å; A452-M456 VanDerWaalsContact O-N 3.08Å
453	F	98.3	Very high	95.5	Very high	5 Å²	5	73.7 Å²	73.7	2%	0.022	39%	0.391	C	S	.	.	H	α-helix	trans	-68.6	-41.3	176.6	-165.4	-99.5	0	0	0	112.2	I267 T392 H417 L419 R449 A450 K451 A455 M456 L457	I267-F453 HydrophobicContact CG1-CE1 3.93Å; I267-F453 HydrophobicContact CG1-CZ 4.32Å; T392-F453 HydrophobicContact CG2-CD1 3.57Å; T392-F453 HydrophobicContact CG2-CE1 3.66Å; H417-F453 HydrophobicContact CB-CE2 4.33Å; H417-F453 HydrophobicContact CB-CZ 4.39Å; H417-F453 AromaticContact CG-CE2 3.99Å; H417-F453 AromaticContact CG-CZ 3.93Å; H417-F453 AromaticContact ND1-CE2 3.84Å; L419-F453 HydrophobicContact CD1-CD1 3.99Å; L419-F453 HydrophobicContact CD1-CE1 4.05Å; L419-F453 HydrophobicContact CD2-CB 3.84Å; L419-F453 HydrophobicContact CD2-CD1 3.98Å; L419-F453 HydrophobicContact CD2-CG 3.95Å; R449-F453 VanDerWaalsContact NH2-CD2 3.33Å; R449-F453 WeakPolarHBondContact O-CB 3.28Å; R449-F453 PolarHBondContact O-N 3.46Å; A450-F453 PolarHBondContact O-N 3.35Å; K451-F453 VanDerWaalsContact C-N 3.31Å; K451-F453 PolarHBondContact O-N 2.85Å; F453-A455 PolarHBondContact O-N 3.35Å; F453-M456 HydrophobicContact CD2-CE 3.69Å; F453-M456 HydrophobicContact CE2-CE 3.49Å; F453-M456 VanDerWaalsContact CE2-CE 3.49Å; F453-M456 HydrophobicContact CG-CE 4.43Å; F453-M456 HydrophobicContact CZ-CE 4.06Å; F453-M456 WeakPolarHBondContact O-CB 3.45Å; F453-M456 PolarHBondContact O-N 3Å; F453-L457 HydrophobicContact CD1-CD1 3.94Å; F453-L457 HydrophobicContact CD1-CG 4.17Å; F453-L457 HydrophobicContact CE1-CD1 3.71Å; F453-L457 HydrophobicContact CE1-CD2 4.3Å; F453-L457 HydrophobicContact CE1-CG 4.03Å; F453-L457 WeakPolarHBondContact O-CG 3.41Å; F453-L457 PolarHBondContact O-N 3.3Å
454	S	97.4	Very high	95.2	Very high	12 Å²	12	71.7 Å²	71.7	8%	0.084	38%	0.38	C	S	.	.	H	α-helix	trans	-56.8	-47.3	171.5	170.1	0	0	0	0	112	T392 L393 A450 K451 M456 L457 R458	T392-S454 WeakPolarHBondContact O-CB 3.26Å; L393-S454 PolarHBondContact O-OG 2.61Å; A450-S454 WeakPolarHBondContact O-CB 3.42Å; A450-S454 PolarHBondContact O-N 3.34Å; K451-S454 WeakPolarHBondContact O-CB 3.45Å; K451-S454 PolarHBondContact O-N 3.25Å; S454-M456 VanDerWaalsContact C-N 3.34Å; S454-M456 PolarHBondContact O-N 2.94Å; S454-L457 PolarHBondContact O-N 2.65Å; S454-L457 VanDerWaalsContact O-N 3.16Å; S454-R458 WeakPolarHBondContact O-CB 3.42Å; S454-R458 WeakPolarHBondContact O-CG 3.3Å; S454-R458 PolarHBondContact O-N 3.19Å; S454-R458 PolarHBondContact OG-NE 2.04Å
455	A	97.3	Very high	95	Very high	59 Å²	59	66.2 Å²	66.2	49%	0.488	35%	0.351	S	S	.	.	H	α-helix	trans	-58.9	-45.5	178.1	0	0	0	0	0	111.5	K451 A452 F453 L457 R458 D459	K451-A455 WeakPolarHBondContact O-CB 3.4Å; K451-A455 PolarHBondContact O-N 2.91Å; A452-A455 PolarHBondContact O-N 3.35Å; F453-A455 PolarHBondContact O-N 3.35Å; A455-L457 PolarHBondContact O-N 2.92Å; A455-R458 PolarHBondContact O-N 3.14Å; A455-D459 PolarHBondContact O-N 3.36Å
456	M	96.8	Very high	94.7	Very high	85 Å²	85	63.3 Å²	63.3	42%	0.419	34%	0.34	S	S	.	.	H	α-helix	trans	-59.9	-41.7	175	-177	-164.5	76.1	0	0	112.5	F266 A452 F453 S454 R458	F266-M456 HydrophobicContact CB-CE 3.8Å; F266-M456 HydrophobicContact CG-CE 4.16Å; A452-M456 PolarHBondContact O-N 3.06Å; A452-M456 VanDerWaalsContact O-N 3.08Å; F453-M456 HydrophobicContact CD2-CE 3.69Å; F453-M456 HydrophobicContact CE2-CE 3.49Å; F453-M456 VanDerWaalsContact CE2-CE 3.49Å; F453-M456 HydrophobicContact CG-CE 4.43Å; F453-M456 HydrophobicContact CZ-CE 4.06Å; F453-M456 WeakPolarHBondContact O-CB 3.45Å; F453-M456 PolarHBondContact O-N 3Å; S454-M456 VanDerWaalsContact C-N 3.34Å; S454-M456 PolarHBondContact O-N 2.94Å; M456-R458 VanDerWaalsContact C-N 3.32Å
457	L	94.6	Very high	94.3	Very high	3 Å²	3	64.9 Å²	64.9	2%	0.016	35%	0.349	C	S	.	.	H	α-helix	trans	-69.3	-30.2	177.5	-68.8	-175.9	0	0	0	112.8	E264 F266 I267 T392 L393 F453 S454 A455 K460	E264-L457 HydrophobicContact CB-CD2 4.13Å; E264-L457 HydrophobicContact CG-CD1 4.41Å; E264-L457 HydrophobicContact CG-CD2 4.49Å; F266-L457 HydrophobicContact CB-CD2 3.89Å; F266-L457 HydrophobicContact CD2-CD2 4.37Å; I267-L457 HydrophobicContact CD1-CD1 3.99Å; I267-L457 HydrophobicContact CG1-CD1 4.03Å; T392-L457 HydrophobicContact CG2-CD1 3.69Å; L393-L457 HydrophobicContact CD2-CB 4.06Å; L393-L457 HydrophobicContact CD2-CD1 4.16Å; F453-L457 HydrophobicContact CD1-CD1 3.94Å; F453-L457 HydrophobicContact CD1-CG 4.17Å; F453-L457 HydrophobicContact CE1-CD1 3.71Å; F453-L457 HydrophobicContact CE1-CD2 4.3Å; F453-L457 HydrophobicContact CE1-CG 4.03Å; F453-L457 WeakPolarHBondContact O-CG 3.41Å; F453-L457 PolarHBondContact O-N 3.3Å; S454-L457 PolarHBondContact O-N 2.65Å; S454-L457 VanDerWaalsContact O-N 3.16Å; A455-L457 PolarHBondContact O-N 2.92Å; L457-K460 WeakPolarHBondContact O-CE 3.21Å; L457-K460 WeakPolarHBondContact O-CG 3.29Å
458	R	92.2	Very high	94.1	Very high	138 Å²	138	63.7 Å²	63.7	52%	0.521	34%	0.339	S	S	.	.	H	α-helix	trans	-83.2	-19.3	179.9	-71.1	177.2	-179.3	-86.5	5	113.1	L393 S454 A455 M456 K460	L393-R458 VanDerWaalsContact O-CZ 3.26Å; L393-R458 PolarHBondContact O-NE 3.18Å; L393-R458 PolarHBondContact O-NH2 2.98Å; S454-R458 WeakPolarHBondContact O-CB 3.42Å; S454-R458 WeakPolarHBondContact O-CG 3.3Å; S454-R458 PolarHBondContact O-N 3.19Å; S454-R458 PolarHBondContact OG-NE 2.04Å; A455-R458 PolarHBondContact O-N 3.14Å; M456-R458 VanDerWaalsContact C-N 3.32Å; R458-K460 VanDerWaalsContact C-N 3.28Å; R458-K460 PolarHBondContact O-N 3.37Å
459	D	93.4	Very high	93.8	Very high	142 Å²	142	61 Å²	61	76%	0.759	32%	0.317	S	S	*	.			trans	-72.7	81.6	174.9	-171.6	18.9	0	0	0	110.5	A455	A455-D459 PolarHBondContact O-N 3.36Å
460	K	89.5	Confident	93.4	Very high	72 Å²	72	61.3 Å²	61.3	31%	0.313	32%	0.32	S	S	.	.			trans	-119.3	144.2	-176.7	-58.1	-164.1	-176.8	-150	0	111.5	E264 L457 R458 A462 N464	E264-K460 IonicContact OE1-NZ 3.93Å; E264-K460 PolarHBondContact OE1-NZ 3.21Å; E264-K460 IonicContact OE2-NZ 2.75Å; E264-K460 PolarHBondContact OE2-NZ 2.7Å; L457-K460 WeakPolarHBondContact O-CE 3.21Å; L457-K460 WeakPolarHBondContact O-CG 3.29Å; R458-K460 VanDerWaalsContact C-N 3.28Å; R458-K460 PolarHBondContact O-N 3.37Å; K460-A462 VanDerWaalsContact C-N 3.25Å; K460-A462 WeakPolarHBondContact CB-O 3.48Å; K460-A462 PolarHBondContact O-N 3.23Å; K460-N464 VanDerWaalsContact NZ-CG 3.33Å; K460-N464 PolarHBondContact NZ-ND2 3Å; K460-N464 PolarHBondContact NZ-OD1 3.02Å
461	I	88.9	Confident	93	Very high	185 Å²	185	65.7 Å²	65.7	95%	0.949	34%	0.337	S	S	*	.	S	Bend	trans	-66.3	-30.3	175.5	-58.6	170.3	0	0	0	111.5
462	A	90.2	Very high	92.7	Very high	35 Å²	35	59.2 Å²	59.2	29%	0.289	31%	0.308	S	S	.	.	S	Bend	trans	-147.6	155.7	179.5	0	0	0	0	0	111.1	K460	K460-A462 VanDerWaalsContact C-N 3.25Å; K460-A462 WeakPolarHBondContact CB-O 3.48Å; K460-A462 PolarHBondContact O-N 3.23Å
463	P	89.8	Confident	92.3	Very high	62 Å²	62	58.4 Å²	58.4	40%	0.403	30%	0.295	S	S	.	.			trans	-54.9	145.6	170.3	-25.6	35.8	0	0	0	112.5	E284 E465 Q466 L467	E284-P463 WeakPolarHBondContact OE1-CA 3.42Å; E284-P463 WeakPolarHBondContact OE1-CB 3.4Å; P463-E465 PolarHBondContact O-N 2.93Å; P463-Q466 HydrophobicContact CB-CB 4.45Å; P463-Q466 PolarHBondContact O-N 2.97Å; P463-L467 WeakPolarHBondContact O-CB 3.46Å; P463-L467 PolarHBondContact O-N 2.95Å; P463-L467 VanDerWaalsContact O-N 3.07Å
464	N	90.7	Very high	91.8	Very high	12 Å²	12	67.1 Å²	67.1	6%	0.064	33%	0.328	C	S	.	.	H	α-helix	trans	-62.4	-45.3	-175.6	-92.4	-28.8	0	0	0	112.4	E264 M280 D282 E284 K460 L467 T468	E264-N464 PolarHBondContact OE1-ND2 3.35Å; M280-N464 WeakPolarHBondContact O-CB 3.04Å; D282-N464 PolarHBondContact N-ND2 2.78Å; D282-N464 VanDerWaalsContact O-CB 3.24Å; D282-N464 WeakPolarHBondContact O-CB 3.44Å; D282-N464 PolarHBondContact O-ND2 2.76Å; E284-N464 PolarHBondContact OE1-N 2.68Å; E284-N464 VanDerWaalsContact OE1-N 3.12Å; K460-N464 VanDerWaalsContact NZ-CG 3.33Å; K460-N464 PolarHBondContact NZ-ND2 3Å; K460-N464 PolarHBondContact NZ-OD1 3.02Å; N464-L467 PolarHBondContact O-N 3.33Å; N464-T468 VanDerWaalsContact O-CB 3.3Å; N464-T468 WeakPolarHBondContact O-CB 3.41Å; N464-T468 PolarHBondContact O-N 3.41Å; N464-T468 PolarHBondContact O-OG1 3.08Å
465	E	91.1	Very high	91.3	Very high	14 Å²	14	67 Å²	67	7%	0.065	33%	0.326	C	S	.	.	H	α-helix	trans	-60.2	-51.2	-178.5	-168.7	175	131.4	0	0	110.3	A49 F283 E284 S285 P463 L467 T468 M469	A49-E465 HydrophobicContact CB-CG 3.8Å; F283-E465 HydrophobicContact CB-CB 4.47Å; F283-E465 HydrophobicContact CB-CG 4.49Å; F283-E465 HydrophobicContact CD1-CB 3.9Å; F283-E465 HydrophobicContact CD1-CG 4.18Å; F283-E465 HydrophobicContact CE1-CB 4.45Å; F283-E465 HydrophobicContact CG-CB 4.3Å; F283-E465 HydrophobicContact CG-CG 4.23Å; E284-E465 VanDerWaalsContact OE2-CB 3.23Å; E284-E465 WeakPolarHBondContact OE2-CB 3.45Å; E284-E465 PolarHBondContact OE2-N 3.11Å; S285-E465 WeakPolarHBondContact CB-OE2 3.47Å; S285-E465 PolarHBondContact N-OE2 3.49Å; S285-E465 VanDerWaalsContact N-OE2 3.14Å; S285-E465 PolarHBondContact OG-OE2 2.87Å; P463-E465 PolarHBondContact O-N 2.93Å; E465-L467 PolarHBondContact O-N 3.49Å; E465-T468 PolarHBondContact O-N 3.38Å; E465-M469 WeakPolarHBondContact O-CB 3.42Å; E465-M469 WeakPolarHBondContact O-CG 3.36Å; E465-M469 PolarHBondContact O-N 3.42Å
466	Q	89.8	Confident	90.8	Very high	103 Å²	103	65 Å²	65	48%	0.481	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-45.4	179.2	-171.8	-178.8	10.6	0	0	112.5	P463 T468 M469 K470	P463-Q466 HydrophobicContact CB-CB 4.45Å; P463-Q466 PolarHBondContact O-N 2.97Å; Q466-T468 PolarHBondContact O-N 2.82Å; Q466-M469 PolarHBondContact O-N 3.29Å; Q466-K470 WeakPolarHBondContact O-CB 3.33Å; Q466-K470 WeakPolarHBondContact O-CG 3.32Å; Q466-K470 PolarHBondContact O-N 2.86Å
467	L	91.1	Very high	90.2	Very high	68 Å²	68	67 Å²	67	36%	0.356	32%	0.32	S	S	.	.	H	α-helix	trans	-62.5	-44	179.1	178.9	63.2	0	0	0	111.6	P463 N464 E465 R471	P463-L467 WeakPolarHBondContact O-CB 3.46Å; P463-L467 PolarHBondContact O-N 2.95Å; P463-L467 VanDerWaalsContact O-N 3.07Å; N464-L467 PolarHBondContact O-N 3.33Å; E465-L467 PolarHBondContact O-N 3.49Å; L467-R471 HydrophobicContact CD1-CG 4.47Å; L467-R471 WeakPolarHBondContact O-CB 3.5Å; L467-R471 WeakPolarHBondContact O-CG 3.38Å; L467-R471 PolarHBondContact O-N 3.25Å
468	T	93.1	Very high	89.1	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-65.4	-44.1	-178.8	-56	0	0	0	0	111	I260 M280 F283 N464 E465 Q466 R471 L472	I260-T468 HydrophobicContact CD1-CG2 4.3Å; I260-T468 HydrophobicContact CG2-CG2 4.11Å; M280-T468 WeakPolarHBondContact CA-OG1 3.47Å; M280-T468 HydrophobicContact CB-CG2 3.96Å; F283-T468 HydrophobicContact CE1-CG2 4.24Å; F283-T468 HydrophobicContact CZ-CG2 4.09Å; N464-T468 VanDerWaalsContact O-CB 3.3Å; N464-T468 WeakPolarHBondContact O-CB 3.41Å; N464-T468 PolarHBondContact O-N 3.41Å; N464-T468 PolarHBondContact O-OG1 3.08Å; E465-T468 PolarHBondContact O-N 3.38Å; Q466-T468 PolarHBondContact O-N 2.82Å; T468-R471 PolarHBondContact O-N 3.17Å; T468-L472 WeakPolarHBondContact O-CB 3.43Å; T468-L472 PolarHBondContact O-N 3.08Å
469	M	91.4	Very high	87.4	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-66.2	-43.3	179.5	-62.5	-66.8	112.7	0	0	111.3	A49 L50 Q53 F283 E465 Q466 R471 L472 E473	A49-M469 HydrophobicContact CB-CE 4.33Å; A49-M469 HydrophobicContact CB-SD 4.48Å; L50-M469 HydrophobicContact CD2-CE 4.16Å; L50-M469 HydrophobicContact CD2-SD 3.61Å; L50-M469 HydrophobicContact CG-CE 4.44Å; L50-M469 HydrophobicContact CG-SD 4.09Å; Q53-M469 HydrophobicContact CG-CB 3.97Å; Q53-M469 HydrophobicContact CG-CG 3.69Å; Q53-M469 HydrophobicContact CG-SD 4.34Å; F283-M469 HydrophobicContact CE2-CE 4.44Å; F283-M469 HydrophobicContact CZ-CE 4.01Å; E465-M469 WeakPolarHBondContact O-CB 3.42Å; E465-M469 WeakPolarHBondContact O-CG 3.36Å; E465-M469 PolarHBondContact O-N 3.42Å; Q466-M469 PolarHBondContact O-N 3.29Å; M469-R471 VanDerWaalsContact C-N 3.29Å; M469-R471 PolarHBondContact O-N 2.84Å; M469-L472 WeakPolarHBondContact O-CB 3.33Å; M469-L472 PolarHBondContact O-N 3.04Å; M469-L472 VanDerWaalsContact O-N 3.13Å; M469-E473 WeakPolarHBondContact O-CG 3.43Å; M469-E473 PolarHBondContact O-N 2.71Å
470	K	90	Very high	85.6	Confident	96 Å²	96	67.5 Å²	67.5	42%	0.417	33%	0.325	S	S	.	.	H	α-helix	trans	-62.7	-35.8	173.7	-73.9	-73.3	158.3	-144.2	0	112.8	Q466 E473 R474	Q466-K470 WeakPolarHBondContact O-CB 3.33Å; Q466-K470 WeakPolarHBondContact O-CG 3.32Å; Q466-K470 PolarHBondContact O-N 2.86Å; K470-E473 WeakPolarHBondContact CD-OE2 3.36Å; K470-E473 IonicContact NZ-OE1 2.69Å; K470-E473 PolarHBondContact NZ-OE1 3.13Å; K470-E473 IonicContact NZ-OE2 2.67Å; K470-E473 PolarHBondContact NZ-OE2 3.24Å; K470-R474 VanDerWaalsContact O-CG 3.25Å; K470-R474 WeakPolarHBondContact O-CG 3.47Å; K470-R474 PolarHBondContact O-N 3.06Å; K470-R474 VanDerWaalsContact O-N 3.11Å
471	R	90.3	Very high	83.9	Confident	96 Å²	96	71.3 Å²	71.3	36%	0.362	35%	0.349	S	S	.	.	H	α-helix	trans	-68.8	-40.6	173.3	-77.1	-178.9	173.5	-155.5	-5.4	111.5	T278 L467 T468 M469 R474 M475	T278-R471 VanDerWaalsContact CB-NH1 3.34Å; T278-R471 HydrophobicContact CG2-CB 4.41Å; T278-R471 WeakPolarHBondContact OG1-CD 3.46Å; T278-R471 PolarHBondContact OG1-NH1 2.92Å; L467-R471 HydrophobicContact CD1-CG 4.47Å; L467-R471 WeakPolarHBondContact O-CB 3.5Å; L467-R471 WeakPolarHBondContact O-CG 3.38Å; L467-R471 PolarHBondContact O-N 3.25Å; T468-R471 PolarHBondContact O-N 3.17Å; M469-R471 VanDerWaalsContact C-N 3.29Å; M469-R471 PolarHBondContact O-N 2.84Å; R471-R474 PolarHBondContact O-N 2.84Å; R471-M475 HydrophobicContact CB-CE 4.42Å; R471-M475 VanDerWaalsContact O-CG 3.29Å; R471-M475 WeakPolarHBondContact O-CG 3.34Å; R471-M475 PolarHBondContact O-N 3.26Å
472	L	91.9	Very high	82.1	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-57	-53.6	173.5	175.5	66.3	0	0	0	111.1	L50 V147 M149 I170 I260 T468 M469 R474 M475 V476	L50-L472 HydrophobicContact CD2-CD2 3.3Å; V147-L472 HydrophobicContact CG2-CD1 4.33Å; M149-L472 HydrophobicContact CE-CD1 4.38Å; M149-L472 HydrophobicContact CE-CD2 4.37Å; M149-L472 HydrophobicContact SD-CD1 4.21Å; M149-L472 HydrophobicContact SD-CD2 3.98Å; I170-L472 HydrophobicContact CB-CD1 4.39Å; I170-L472 HydrophobicContact CG1-CD1 3.82Å; I170-L472 HydrophobicContact CG2-CD1 4.29Å; I260-L472 HydrophobicContact CD1-CD1 4.37Å; T468-L472 WeakPolarHBondContact O-CB 3.43Å; T468-L472 PolarHBondContact O-N 3.08Å; M469-L472 WeakPolarHBondContact O-CB 3.33Å; M469-L472 PolarHBondContact O-N 3.04Å; M469-L472 VanDerWaalsContact O-N 3.13Å; L472-R474 PolarHBondContact O-N 3.17Å; L472-M475 HydrophobicContact CB-CE 4.44Å; L472-M475 CarbonylContact O-C 3.56Å; L472-M475 WeakPolarHBondContact O-CA 3.18Å; L472-M475 WeakPolarHBondContact O-CB 3.46Å; L472-M475 PolarHBondContact O-N 3.27Å; L472-V476 HydrophobicContact CD1-CG2 4.15Å; L472-V476 HydrophobicContact CG-CG2 4.47Å; L472-V476 WeakPolarHBondContact O-CG2 3.31Å; L472-V476 PolarHBondContact O-N 2.99Å
473	E	90.4	Very high	80.5	Confident	38 Å²	38	70.9 Å²	70.9	18%	0.178	33%	0.334	C	S	.	.	H	α-helix	trans	-55.4	-40.5	176.9	-69.2	168.7	-172.6	0	0	112	H55 M469 K470 V476 N477	H55-E473 IonicContact CE1-OE1 3.52Å; H55-E473 IonicContact NE2-OE1 2.73Å; M469-E473 WeakPolarHBondContact O-CG 3.43Å; M469-E473 PolarHBondContact O-N 2.71Å; K470-E473 WeakPolarHBondContact CD-OE2 3.36Å; K470-E473 IonicContact NZ-OE1 2.69Å; K470-E473 PolarHBondContact NZ-OE1 3.13Å; K470-E473 IonicContact NZ-OE2 2.67Å; K470-E473 PolarHBondContact NZ-OE2 3.24Å; E473-V476 PolarHBondContact O-N 3.04Å; E473-N477 VanDerWaalsContact O-CB 3.25Å; E473-N477 WeakPolarHBondContact O-CB 3.35Å; E473-N477 VanDerWaalsContact O-CG 3.29Å; E473-N477 PolarHBondContact O-N 3.25Å; E473-N477 PolarHBondContact O-ND2 2.95Å; E473-N477 VanDerWaalsContact O-ND2 3.09Å
474	R	87.4	Confident	79.1	Confident	189 Å²	189	71.2 Å²	71.2	71%	0.713	33%	0.332	S	S	*	.	H	α-helix	trans	-66.4	-41.1	175.4	-74.4	172.6	179.8	-173.4	0.9	112.5	K470 R471 L472 V476 G478	K470-R474 VanDerWaalsContact O-CG 3.25Å; K470-R474 WeakPolarHBondContact O-CG 3.47Å; K470-R474 PolarHBondContact O-N 3.06Å; K470-R474 VanDerWaalsContact O-N 3.11Å; R471-R474 PolarHBondContact O-N 2.84Å; L472-R474 PolarHBondContact O-N 3.17Å; R474-V476 VanDerWaalsContact C-N 3.29Å; R474-G478 WeakPolarHBondContact O-CA 3.29Å; R474-G478 PolarHBondContact O-N 2.95Å
475	M	87.3	Confident	77.8	Confident	9 Å²	9	74 Å²	74	4%	0.044	35%	0.347	C	S	.	.	H	α-helix	trans	-65	-35.5	175.9	-70.9	-178.7	-69	0	0	110.9	I170 I260 T278 R471 L472 K483	I170-M475 HydrophobicContact CD1-CB 3.68Å; I170-M475 HydrophobicContact CD1-CE 4.41Å; I170-M475 HydrophobicContact CD1-CG 4.45Å; I170-M475 HydrophobicContact CD1-SD 4.13Å; I260-M475 HydrophobicContact CD1-CE 4.15Å; I260-M475 HydrophobicContact CG1-CE 3.95Å; T278-M475 HydrophobicContact CG2-CE 4.23Å; R471-M475 HydrophobicContact CB-CE 4.42Å; R471-M475 VanDerWaalsContact O-CG 3.29Å; R471-M475 WeakPolarHBondContact O-CG 3.34Å; R471-M475 PolarHBondContact O-N 3.26Å; L472-M475 HydrophobicContact CB-CE 4.44Å; L472-M475 CarbonylContact O-C 3.56Å; L472-M475 WeakPolarHBondContact O-CA 3.18Å; L472-M475 WeakPolarHBondContact O-CB 3.46Å; L472-M475 PolarHBondContact O-N 3.27Å; M475-K483 PolarHBondContact O-NZ 3.21Å
476	V	87.7	Confident	76.8	Confident	18 Å²	18	81.4 Å²	81.4	11%	0.109	38%	0.378	C	S	.	.	H	α-helix	trans	-75.3	-48.7	177.6	176.8	0	0	0	0	111.7	L26 D146 V147 S168 L472 E473 R474 G478	L26-V476 HydrophobicContact CD1-CB 4.32Å; L26-V476 HydrophobicContact CD1-CG1 4.33Å; L26-V476 HydrophobicContact CD1-CG2 4.13Å; L26-V476 HydrophobicContact CD2-CG1 4.01Å; D146-V476 HydrophobicContact CB-CG1 4.35Å; V147-V476 HydrophobicContact CB-CG1 4.49Å; V147-V476 HydrophobicContact CB-CG2 3.66Å; V147-V476 HydrophobicContact CG1-CG2 4.19Å; V147-V476 HydrophobicContact CG2-CG2 3.69Å; S168-V476 PolarHBondContact OG-O 2.93Å; L472-V476 HydrophobicContact CD1-CG2 4.15Å; L472-V476 HydrophobicContact CG-CG2 4.47Å; L472-V476 WeakPolarHBondContact O-CG2 3.31Å; L472-V476 PolarHBondContact O-N 2.99Å; E473-V476 PolarHBondContact O-N 3.04Å; R474-V476 VanDerWaalsContact C-N 3.29Å; V476-G478 PolarHBondContact O-N 2.84Å
477	N	83.1	Confident	75.8	Confident	126 Å²	126	78.6 Å²	78.6	67%	0.674	37%	0.373	S	S	*	.	H	α-helix	trans	-76	-22.5	-177	-68.7	-38.5	0	0	0	113.6	E473	E473-N477 VanDerWaalsContact O-CB 3.25Å; E473-N477 WeakPolarHBondContact O-CB 3.35Å; E473-N477 VanDerWaalsContact O-CG 3.29Å; E473-N477 PolarHBondContact O-N 3.25Å; E473-N477 PolarHBondContact O-ND2 2.95Å; E473-N477 VanDerWaalsContact O-ND2 3.09Å
478	G	72.7	Confident	74.8	Confident	31 Å²	31	77.8 Å²	77.8	32%	0.32	37%	0.37	S	S	.	.	S	Bend	trans	-67.1	133.7	178.4	0	0	0	0	0	111.6	R474 V476 R480 K483	R474-G478 WeakPolarHBondContact O-CA 3.29Å; R474-G478 PolarHBondContact O-N 2.95Å; V476-G478 PolarHBondContact O-N 2.84Å; G478-R480 PolarHBondContact O-N 3.4Å; G478-K483 WeakPolarHBondContact O-CE 3.46Å; G478-K483 PolarHBondContact O-NZ 3.11Å
479	K	55.5	Low	73.8	Confident	157 Å²	157	84 Å²	84	68%	0.683	40%	0.404	S	S	*	.			trans	-62.7	127.8	173.7	-68.5	-174	178.4	-177.8	0	110.3	N481 F482	K479-N481 PolarHBondContact O-N 3.11Å; K479-F482 HydrophobicContact CB-CD2 4.19Å; K479-F482 HydrophobicContact CB-CE2 4.29Å; K479-F482 PolarHBondContact O-N 2.98Å
480	R	56	Low	73.1	Confident	106 Å²	106	87 Å²	87	40%	0.4	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-41.1	-37.1	176.2	-96.8	178.7	173.3	167.2	2.7	114.6	A167 D257 G478 F482 K483	A167-R480 PolarHBondContact O-NH2 3.22Å; D257-R480 WeakPolarHBondContact OD1-CG 3.47Å; D257-R480 IonicContact OD1-NE 3.66Å; D257-R480 PolarHBondContact OD1-NE 3.05Å; D257-R480 VanDerWaalsContact OD1-NE 3.08Å; D257-R480 IonicContact OD2-CZ 3.83Å; D257-R480 IonicContact OD2-NE 2.66Å; D257-R480 PolarHBondContact OD2-NE 3.14Å; D257-R480 VanDerWaalsContact OD2-NE 3.13Å; D257-R480 IonicContact OD2-NH2 3.55Å; D257-R480 PolarHBondContact OD2-NH2 3.3Å; G478-R480 PolarHBondContact O-N 3.4Å; R480-F482 PolarHBondContact O-N 2.85Å; R480-F482 VanDerWaalsContact O-N 3.09Å; R480-K483 WeakPolarHBondContact O-CB 3.32Å; R480-K483 PolarHBondContact O-N 3.07Å; R480-K483 VanDerWaalsContact O-N 3.09Å
481	N	53.8	Low	72.8	Confident	151 Å²	151	86.1 Å²	86.1	81%	0.807	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-64	-17.6	-170.5	-60.7	-5	0	0	0	114.8	K479	K479-N481 PolarHBondContact O-N 3.11Å
482	F	51.2	Low	72.2	Confident	186 Å²	186	86 Å²	86	82%	0.816	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-91.6	-7.1	178	-63.4	-70.6	0	0	0	114.1	K479 R480	K479-F482 HydrophobicContact CB-CD2 4.19Å; K479-F482 HydrophobicContact CB-CE2 4.29Å; K479-F482 PolarHBondContact O-N 2.98Å; R480-F482 PolarHBondContact O-N 2.85Å; R480-F482 VanDerWaalsContact O-N 3.09Å
483	K	56.1	Low	71.9	Confident	25 Å²	25	90.6 Å²	90.6	11%	0.109	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-38.9	-156.8	-59.5	-174.6	-167.1	162.7	0	115.1	D257 D276 M475 G478 R480	D257-K483 IonicContact OD1-NZ 2.97Å; D257-K483 PolarHBondContact OD1-NZ 3.21Å; D276-K483 VanDerWaalsContact OD2-CB 3.31Å; D276-K483 WeakPolarHBondContact OD2-CB 3.42Å; M475-K483 PolarHBondContact O-NZ 3.21Å; G478-K483 WeakPolarHBondContact O-CE 3.46Å; G478-K483 PolarHBondContact O-NZ 3.11Å; R480-K483 WeakPolarHBondContact O-CB 3.32Å; R480-K483 PolarHBondContact O-N 3.07Å; R480-K483 VanDerWaalsContact O-N 3.09Å
484	L	60.2	Low	71.7	Confident	69 Å²	69	92.3 Å²	92.3	36%	0.361	47%	0.471	S	S	.	.	S	Bend	trans	-87.6	126.3	-173.2	-77.5	146.2	0	0	0	111.2	K486 T488	L484-K486 PolarHBondContact O-N 3.22Å; L484-T488 HydrophobicContact CD2-CG2 4.04Å
485	L	64.7	Low	71.5	Confident	72 Å²	72	85.7 Å²	85.7	38%	0.377	46%	0.457	S	S	.	.			trans	-49.1	124.9	167.4	-92.2	165.9	0	0	0	109.2	A187 L274 A487 T488	A187-L485 HydrophobicContact CB-CB 4.1Å; A187-L485 HydrophobicContact CB-CD1 4.19Å; A187-L485 VanDerWaalsContact O-CD1 3.25Å; A187-L485 WeakPolarHBondContact O-CD1 3.5Å; L274-L485 HydrophobicContact CD1-CD1 4.03Å; L274-L485 HydrophobicContact CD2-CD1 3.28Å; L274-L485 HydrophobicContact CD2-CG 3.93Å; L274-L485 HydrophobicContact CG-CD1 4.28Å; L485-A487 HydrophobicContact CB-CB 4.39Å; L485-A487 PolarHBondContact O-N 2.96Å; L485-T488 WeakPolarHBondContact O-CG2 3.43Å; L485-T488 PolarHBondContact O-N 3.48Å; L485-T488 PolarHBondContact O-OG1 3.26Å; L485-T488 VanDerWaalsContact O-OG1 3.12Å
486	K	68.2	Low	71.5	Confident	169 Å²	169	90.8 Å²	90.8	74%	0.735	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-51.7	-26	177.7	-169	174.8	-178.7	-179.8	0	112.8	L484 T488 N489	L484-K486 PolarHBondContact O-N 3.22Å; K486-T488 PolarHBondContact O-N 3.31Å; K486-T488 VanDerWaalsContact O-N 3.16Å; K486-N489 PolarHBondContact O-N 3.06Å; K486-N489 VanDerWaalsContact O-N 3.1Å
487	A	69	Low	71.6	Confident	44 Å²	44	93.1 Å²	93.1	36%	0.364	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-53.1	-27.3	174.1	0	0	0	0	0	114.4	A187 L485 N489 L490	A187-A487 HydrophobicContact CB-CB 4.25Å; L485-A487 HydrophobicContact CB-CB 4.39Å; L485-A487 PolarHBondContact O-N 2.96Å; A487-N489 PolarHBondContact O-N 3.04Å; A487-L490 PolarHBondContact O-N 3.27Å
488	T	69.8	Low	72.1	Confident	50 Å²	50	90.6 Å²	90.6	31%	0.307	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-61.5	-24.9	177.3	59.1	0	0	0	0	113.1	A187 L484 L485 K486	A187-T488 HydrophobicContact CB-CG2 3.43Å; A187-T488 VanDerWaalsContact CB-CG2 3.43Å; L484-T488 HydrophobicContact CD2-CG2 4.04Å; L485-T488 WeakPolarHBondContact O-CG2 3.43Å; L485-T488 PolarHBondContact O-N 3.48Å; L485-T488 PolarHBondContact O-OG1 3.26Å; L485-T488 VanDerWaalsContact O-OG1 3.12Å; K486-T488 PolarHBondContact O-N 3.31Å; K486-T488 VanDerWaalsContact O-N 3.16Å
489	N	72.4	Confident	73.1	Confident	130 Å²	130	91.9 Å²	91.9	70%	0.695	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-109.4	2.9	-176.1	-61.2	-20.3	0	0	0	112.9	K486 A487	K486-N489 PolarHBondContact O-N 3.06Å; K486-N489 VanDerWaalsContact O-N 3.1Å; A487-N489 PolarHBondContact O-N 3.04Å
490	L	77.9	Confident	75	Confident	64 Å²	64	87.9 Å²	87.9	34%	0.335	48%	0.475	S	S	.	.	S	Bend	trans	-88.1	135.6	179.6	-68.5	179.2	0	0	0	110.5	A487 I494 A495	A487-L490 PolarHBondContact O-N 3.27Å; L490-I494 HydrophobicContact CD1-CG2 4.38Å; L490-I494 HydrophobicContact CD2-CG2 4.23Å; L490-A495 HydrophobicContact CB-CB 4.13Å
491	P	82.9	Confident	77	Confident	79 Å²	79	87.6 Å²	87.6	51%	0.513	48%	0.48	S	S	.	.			trans	-55.4	143.8	164.8	-22.1	32.1	0	0	0	110.7	L493 I494 A495	P491-L493 PolarHBondContact O-N 3.34Å; P491-I494 HydrophobicContact CG-CD1 4.28Å; P491-I494 PolarHBondContact O-N 2.97Å; P491-A495 PolarHBondContact O-N 3.41Å
492	S	78.6	Confident	79	Confident	93 Å²	93	84 Å²	84	65%	0.65	47%	0.466	S	S	*	.	H	α-helix	trans	-53.5	-32.9	-178.3	-55.1	0	0	0	0	113.5	I494 A495 L496	S492-I494 VanDerWaalsContact C-N 3.34Å; S492-I494 PolarHBondContact O-N 2.89Å; S492-A495 PolarHBondContact O-N 2.86Å; S492-L496 WeakPolarHBondContact O-CB 3.46Å; S492-L496 WeakPolarHBondContact O-CG 3.38Å; S492-L496 PolarHBondContact O-N 2.94Å
493	L	84.1	Confident	81.2	Confident	96 Å²	96	81.2 Å²	81.2	50%	0.503	45%	0.454	S	S	.	.	H	α-helix	trans	-62.9	-38.7	178.2	-172.1	126.3	0	0	0	112.3	P491 L498 D499	P491-L493 PolarHBondContact O-N 3.34Å; L493-L498 HydrophobicContact CG-CB 4.08Å; L493-L498 WeakPolarHBondContact O-CB 3.02Å; L493-L498 PolarHBondContact O-N 3.32Å; L493-D499 HydrophobicContact CD2-CB 3.61Å; L493-D499 PolarHBondContact O-N 3.41Å
494	I	87.5	Confident	83.1	Confident	74 Å²	74	84.2 Å²	84.2	38%	0.379	47%	0.47	S	S	.	.	H	α-helix	trans	-80.7	-42.6	176.4	-56.2	-177.9	0	0	0	110.2	L490 P491 S492 L496 C497	L490-I494 HydrophobicContact CD1-CG2 4.38Å; L490-I494 HydrophobicContact CD2-CG2 4.23Å; P491-I494 HydrophobicContact CG-CD1 4.28Å; P491-I494 PolarHBondContact O-N 2.97Å; S492-I494 VanDerWaalsContact C-N 3.34Å; S492-I494 PolarHBondContact O-N 2.89Å; I494-L496 PolarHBondContact O-N 3.28Å; I494-C497 PolarHBondContact O-N 2.88Å
495	A	83.6	Confident	84.9	Confident	51 Å²	51	83 Å²	83	42%	0.421	47%	0.47	S	S	.	.	H	α-helix	trans	-62.1	-30.8	-177.4	0	0	0	0	0	113.3	L490 P491 S492	L490-A495 HydrophobicContact CB-CB 4.13Å; P491-A495 PolarHBondContact O-N 3.41Å; S492-A495 PolarHBondContact O-N 2.86Å
496	L	85.8	Confident	86.5	Confident	115 Å²	115	84.1 Å²	84.1	60%	0.602	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	6.2	176.5	-64.4	174.1	0	0	0	113.1	S492 I494 L498	S492-L496 WeakPolarHBondContact O-CB 3.46Å; S492-L496 WeakPolarHBondContact O-CG 3.38Å; S492-L496 PolarHBondContact O-N 2.94Å; I494-L496 PolarHBondContact O-N 3.28Å; L496-L498 HydrophobicContact CB-CD1 4.19Å; L496-L498 HydrophobicContact CB-CG 3.89Å; L496-L498 HydrophobicContact CD1-CD1 4.19Å; L496-L498 PolarHBondContact O-N 3.26Å; L496-L498 VanDerWaalsContact O-N 3.16Å
497	C	90.1	Very high	87.9	Confident	68 Å²	68	79.6 Å²	79.6	46%	0.459	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	28.8	-174.4	-56.7	0	0	0	0	113.6	I494 D499 V500 I501	I494-C497 PolarHBondContact O-N 2.88Å; C497-D499 VanDerWaalsContact C-N 3.29Å; C497-D499 VanDerWaalsContact C-OD1 3.27Å; C497-D499 WeakPolarHBondContact CA-OD1 3.46Å; C497-V500 HydrophobicContact CB-CB 4.3Å; C497-V500 HydrophobicContact CB-CG2 4.44Å; C497-V500 PolarHBondContact O-N 3.05Å; C497-I501 VanDerWaalsContact O-CG1 3.3Å; C497-I501 WeakPolarHBondContact O-CG1 3.28Å; C497-I501 PolarHBondContact O-N 3.34Å
498	L	93.6	Very high	89.2	Confident	73 Å²	73	81.8 Å²	81.8	38%	0.382	46%	0.464	S	S	.	.	H	α-helix	trans	-68.5	-31.4	177.8	-67.8	173.2	0	0	0	111	L493 L496 I501 S502	L493-L498 HydrophobicContact CG-CB 4.08Å; L493-L498 WeakPolarHBondContact O-CB 3.02Å; L493-L498 PolarHBondContact O-N 3.32Å; L496-L498 HydrophobicContact CB-CD1 4.19Å; L496-L498 HydrophobicContact CB-CG 3.89Å; L496-L498 HydrophobicContact CD1-CD1 4.19Å; L496-L498 PolarHBondContact O-N 3.26Å; L496-L498 VanDerWaalsContact O-N 3.16Å; L498-I501 HydrophobicContact CD2-CD1 4.28Å; L498-I501 PolarHBondContact O-N 3.44Å; L498-S502 WeakPolarHBondContact O-CB 3.21Å; L498-S502 PolarHBondContact O-N 3.39Å; L498-S502 PolarHBondContact O-OG 3Å
499	D	94.8	Very high	90.6	Very high	58 Å²	58	84 Å²	84	31%	0.31	47%	0.473	S	S	.	.	H	α-helix	trans	-55	-49.3	167	49	-8.8	0	0	0	112.3	L493 C497 S502 F503	L493-D499 HydrophobicContact CD2-CB 3.61Å; L493-D499 PolarHBondContact O-N 3.41Å; C497-D499 VanDerWaalsContact C-N 3.29Å; C497-D499 VanDerWaalsContact C-OD1 3.27Å; C497-D499 WeakPolarHBondContact CA-OD1 3.46Å; D499-S502 PolarHBondContact O-N 2.9Å; D499-F503 WeakPolarHBondContact O-CB 3.22Å; D499-F503 PolarHBondContact O-N 2.93Å
500	V	95.3	Very high	91.7	Very high	73 Å²	73	81.3 Å²	81.3	44%	0.442	46%	0.461	S	S	.	.	H	α-helix	trans	-66.7	-45	179.7	-179.5	0	0	0	0	110.5	C497 S502 F503 I504	C497-V500 HydrophobicContact CB-CB 4.3Å; C497-V500 HydrophobicContact CB-CG2 4.44Å; C497-V500 PolarHBondContact O-N 3.05Å; V500-S502 VanDerWaalsContact C-N 3.34Å; V500-S502 PolarHBondContact O-N 2.87Å; V500-F503 PolarHBondContact O-N 3.48Å; V500-I504 HydrophobicContact CG1-CD1 3.86Å; V500-I504 HydrophobicContact CG1-CG1 4.44Å; V500-I504 WeakPolarHBondContact O-CG1 3.49Å; V500-I504 PolarHBondContact O-N 2.75Å
501	I	96.8	Very high	92.6	Very high	100 Å²	100	83.1 Å²	83.1	51%	0.513	47%	0.469	S	S	.	.	H	α-helix	trans	-60.8	-45.1	177	-68	164	0	0	0	110.4	C497 L498 F503 I504 A505	C497-I501 VanDerWaalsContact O-CG1 3.3Å; C497-I501 WeakPolarHBondContact O-CG1 3.28Å; C497-I501 PolarHBondContact O-N 3.34Å; L498-I501 HydrophobicContact CD2-CD1 4.28Å; L498-I501 PolarHBondContact O-N 3.44Å; I501-F503 VanDerWaalsContact C-N 3.35Å; I501-F503 PolarHBondContact O-N 2.86Å; I501-I504 PolarHBondContact O-N 3.44Å; I501-A505 VanDerWaalsContact O-CB 3.3Å; I501-A505 WeakPolarHBondContact O-CB 3.48Å; I501-A505 PolarHBondContact O-N 2.9Å
502	S	95.9	Very high	93.2	Very high	74 Å²	74	83.4 Å²	83.4	52%	0.517	47%	0.47	S	S	.	.	H	α-helix	trans	-63	-39.6	176.6	-68.5	0	0	0	0	112.2	L498 D499 V500 A505 L506	L498-S502 WeakPolarHBondContact O-CB 3.21Å; L498-S502 PolarHBondContact O-N 3.39Å; L498-S502 PolarHBondContact O-OG 3Å; D499-S502 PolarHBondContact O-N 2.9Å; V500-S502 VanDerWaalsContact C-N 3.34Å; V500-S502 PolarHBondContact O-N 2.87Å; S502-A505 PolarHBondContact O-N 3.33Å; S502-L506 WeakPolarHBondContact O-CB 3.48Å; S502-L506 PolarHBondContact O-N 2.64Å
503	F	97.5	Very high	94	Very high	129 Å²	129	83.7 Å²	83.7	57%	0.566	46%	0.463	S	S	*	.	H	α-helix	trans	-66.9	-43.8	176.6	-176.3	-109.7	0	0	0	112.4	D499 V500 I501 L506 I507	D499-F503 WeakPolarHBondContact O-CB 3.22Å; D499-F503 PolarHBondContact O-N 2.93Å; V500-F503 PolarHBondContact O-N 3.48Å; I501-F503 VanDerWaalsContact C-N 3.35Å; I501-F503 PolarHBondContact O-N 2.86Å; F503-L506 WeakPolarHBondContact O-CB 3.47Å; F503-L506 PolarHBondContact O-N 3.1Å; F503-I507 HydrophobicContact CD1-CD1 3.96Å; F503-I507 HydrophobicContact CE1-CD1 3.52Å; F503-I507 HydrophobicContact CE1-CG1 4.45Å; F503-I507 HydrophobicContact CZ-CD1 3.89Å; F503-I507 HydrophobicContact CZ-CG1 4.46Å; F503-I507 WeakPolarHBondContact O-CG1 3.48Å; F503-I507 PolarHBondContact O-N 3.46Å
504	I	97.7	Very high	94.5	Very high	87 Å²	87	82.2 Å²	82.2	45%	0.446	46%	0.458	S	S	.	.	H	α-helix	trans	-63.1	-44.3	175.3	-67.6	169.8	0	0	0	110.6	V500 I501 L506 I507 I508	V500-I504 HydrophobicContact CG1-CD1 3.86Å; V500-I504 HydrophobicContact CG1-CG1 4.44Å; V500-I504 WeakPolarHBondContact O-CG1 3.49Å; V500-I504 PolarHBondContact O-N 2.75Å; I501-I504 PolarHBondContact O-N 3.44Å; I504-L506 VanDerWaalsContact C-N 3.29Å; I504-L506 PolarHBondContact O-N 3.24Å; I504-I507 PolarHBondContact O-N 3.2Å; I504-I508 HydrophobicContact CG2-CD1 3.98Å; I504-I508 WeakPolarHBondContact O-CG1 3.47Å; I504-I508 PolarHBondContact O-N 3.02Å
505	A	97.2	Very high	94.8	Very high	43 Å²	43	84.1 Å²	84.1	36%	0.355	47%	0.467	S	S	.	.	H	α-helix	trans	-59.8	-40.9	176.4	0	0	0	0	0	111.7	I501 S502 I508 I509	I501-A505 VanDerWaalsContact O-CB 3.3Å; I501-A505 WeakPolarHBondContact O-CB 3.48Å; I501-A505 PolarHBondContact O-N 2.9Å; S502-A505 PolarHBondContact O-N 3.33Å; A505-I508 PolarHBondContact O-N 3.23Å; A505-I509 WeakPolarHBondContact O-CD1 3.48Å; A505-I509 VanDerWaalsContact O-CG1 3.24Å; A505-I509 WeakPolarHBondContact O-CG1 3.37Å; A505-I509 PolarHBondContact O-N 3.46Å
506	L	97.7	Very high	95.2	Very high	96 Å²	96	86.2 Å²	86.2	50%	0.503	47%	0.468	S	S	.	.	H	α-helix	trans	-61	-44.9	175.4	-178.6	65.5	0	0	0	111.9	S502 F503 I504 I508 I509 V510	S502-L506 WeakPolarHBondContact O-CB 3.48Å; S502-L506 PolarHBondContact O-N 2.64Å; F503-L506 WeakPolarHBondContact O-CB 3.47Å; F503-L506 PolarHBondContact O-N 3.1Å; I504-L506 VanDerWaalsContact C-N 3.29Å; I504-L506 PolarHBondContact O-N 3.24Å; L506-I508 VanDerWaalsContact C-N 3.35Å; L506-I508 PolarHBondContact O-N 2.98Å; L506-I509 PolarHBondContact O-N 2.84Å; L506-V510 HydrophobicContact CD1-CG2 4.43Å; L506-V510 WeakPolarHBondContact O-CG2 3.4Å; L506-V510 PolarHBondContact O-N 3.37Å
507	I	97.9	Very high	95.4	Very high	74 Å²	74	83.9 Å²	83.9	38%	0.379	46%	0.459	S	S	.	.	H	α-helix	trans	-59.6	-46.2	176.6	-68.5	170.1	0	0	0	110.8	F503 I504 I509 V510 M511	F503-I507 HydrophobicContact CD1-CD1 3.96Å; F503-I507 HydrophobicContact CE1-CD1 3.52Å; F503-I507 HydrophobicContact CE1-CG1 4.45Å; F503-I507 HydrophobicContact CZ-CD1 3.89Å; F503-I507 HydrophobicContact CZ-CG1 4.46Å; F503-I507 WeakPolarHBondContact O-CG1 3.48Å; F503-I507 PolarHBondContact O-N 3.46Å; I504-I507 PolarHBondContact O-N 3.2Å; I507-I509 VanDerWaalsContact C-N 3.33Å; I507-I509 PolarHBondContact O-N 3.21Å; I507-V510 PolarHBondContact O-N 3.03Å; I507-M511 HydrophobicContact CG2-CE 4.32Å; I507-M511 HydrophobicContact CG2-CG 4.38Å; I507-M511 HydrophobicContact CG2-SD 4.34Å; I507-M511 WeakPolarHBondContact O-CG 3.43Å; I507-M511 PolarHBondContact O-N 3.39Å
508	I	97.5	Very high	95.3	Very high	90 Å²	90	86.3 Å²	86.3	46%	0.462	46%	0.463	S	S	.	.	H	α-helix	trans	-61.4	-42.9	179	-66.4	168.4	0	0	0	110.8	I504 A505 L506 M511 T512	I504-I508 HydrophobicContact CG2-CD1 3.98Å; I504-I508 WeakPolarHBondContact O-CG1 3.47Å; I504-I508 PolarHBondContact O-N 3.02Å; A505-I508 PolarHBondContact O-N 3.23Å; L506-I508 VanDerWaalsContact C-N 3.35Å; L506-I508 PolarHBondContact O-N 2.98Å; I508-M511 PolarHBondContact O-N 3.25Å; I508-T512 WeakPolarHBondContact O-CB 3.26Å; I508-T512 PolarHBondContact O-N 3.44Å; I508-T512 PolarHBondContact O-OG1 3.03Å
509	I	97.6	Very high	94.7	Very high	96 Å²	96	85.1 Å²	85.1	49%	0.492	46%	0.461	S	S	.	.	H	α-helix	trans	-61.9	-47	177.2	-70	164	0	0	0	110.6	A505 L506 I507 T512 I513	A505-I509 WeakPolarHBondContact O-CD1 3.48Å; A505-I509 VanDerWaalsContact O-CG1 3.24Å; A505-I509 WeakPolarHBondContact O-CG1 3.37Å; A505-I509 PolarHBondContact O-N 3.46Å; L506-I509 PolarHBondContact O-N 2.84Å; I507-I509 VanDerWaalsContact C-N 3.33Å; I507-I509 PolarHBondContact O-N 3.21Å; I509-T512 PolarHBondContact O-N 3.29Å; I509-I513 HydrophobicContact CG2-CD1 3.83Å; I509-I513 VanDerWaalsContact O-CG1 3.32Å; I509-I513 WeakPolarHBondContact O-CG1 3.37Å; I509-I513 PolarHBondContact O-N 2.85Å
510	V	97	Very high	94	Very high	75 Å²	75	87.9 Å²	87.9	46%	0.455	47%	0.47	S	S	.	.	H	α-helix	trans	-62.1	-46.7	178.7	171.8	0	0	0	0	111.2	L506 I507 T512 I513 V514	L506-V510 HydrophobicContact CD1-CG2 4.43Å; L506-V510 WeakPolarHBondContact O-CG2 3.4Å; L506-V510 PolarHBondContact O-N 3.37Å; I507-V510 PolarHBondContact O-N 3.03Å; V510-T512 VanDerWaalsContact C-N 3.3Å; V510-T512 PolarHBondContact O-N 2.91Å; V510-I513 PolarHBondContact O-N 3.35Å; V510-V514 HydrophobicContact CG1-CG2 4.44Å; V510-V514 WeakPolarHBondContact O-CG2 3.18Å; V510-V514 PolarHBondContact O-N 2.92Å
511	M	96	Very high	93.1	Very high	102 Å²	102	91.1 Å²	91.1	50%	0.502	48%	0.481	S	S	.	.	H	α-helix	trans	-60.3	-40.6	176.4	-70.1	-167.8	-50.3	0	0	112	I507 I508 V514 I515	I507-M511 HydrophobicContact CG2-CE 4.32Å; I507-M511 HydrophobicContact CG2-CG 4.38Å; I507-M511 HydrophobicContact CG2-SD 4.34Å; I507-M511 WeakPolarHBondContact O-CG 3.43Å; I507-M511 PolarHBondContact O-N 3.39Å; I508-M511 PolarHBondContact O-N 3.25Å; M511-V514 PolarHBondContact O-N 3.21Å; M511-I515 VanDerWaalsContact O-CG1 3.26Å; M511-I515 WeakPolarHBondContact O-CG1 3.43Å; M511-I515 PolarHBondContact O-N 3.04Å
512	T	95.8	Very high	91.9	Very high	85 Å²	85	90.6 Å²	90.6	52%	0.521	49%	0.491	S	S	.	.	H	α-helix	trans	-64.8	-41.2	178.3	-53.1	0	0	0	0	111.3	I508 I509 V510 H516	I508-T512 WeakPolarHBondContact O-CB 3.26Å; I508-T512 PolarHBondContact O-N 3.44Å; I508-T512 PolarHBondContact O-OG1 3.03Å; I509-T512 PolarHBondContact O-N 3.29Å; V510-T512 VanDerWaalsContact C-N 3.3Å; V510-T512 PolarHBondContact O-N 2.91Å; T512-H516 VanDerWaalsContact O-CB 3.31Å; T512-H516 WeakPolarHBondContact O-CB 3.43Å; T512-H516 PolarHBondContact O-N 3.05Å
513	I	95.9	Very high	90.6	Very high	99 Å²	99	94.4 Å²	94.4	51%	0.508	50%	0.501	S	S	.	.	H	α-helix	trans	-62.5	-46.8	175	-68.3	166.5	0	0	0	110.1	I509 V510 I515 H516 T517	I509-I513 HydrophobicContact CG2-CD1 3.83Å; I509-I513 VanDerWaalsContact O-CG1 3.32Å; I509-I513 WeakPolarHBondContact O-CG1 3.37Å; I509-I513 PolarHBondContact O-N 2.85Å; V510-I513 PolarHBondContact O-N 3.35Å; I513-I515 PolarHBondContact O-N 2.87Å; I513-H516 PolarHBondContact O-N 2.94Å; I513-T517 HydrophobicContact CG2-CG2 4.37Å; I513-T517 WeakPolarHBondContact O-CG2 3.48Å; I513-T517 PolarHBondContact O-N 2.7Å; I513-T517 PolarHBondContact O-OG1 3.26Å; I513-T517 VanDerWaalsContact O-OG1 3.11Å
514	V	94.3	Very high	88.6	Confident	65 Å²	65	95.7 Å²	95.7	39%	0.394	51%	0.508	S	S	.	.	H	α-helix	trans	-61.1	-44.8	179.5	171.8	0	0	0	0	111.8	V510 M511 H516 T517 Q518	V510-V514 HydrophobicContact CG1-CG2 4.44Å; V510-V514 WeakPolarHBondContact O-CG2 3.18Å; V510-V514 PolarHBondContact O-N 2.92Å; M511-V514 PolarHBondContact O-N 3.21Å; V514-H516 VanDerWaalsContact C-N 3.33Å; V514-H516 PolarHBondContact O-N 3.49Å; V514-T517 WeakPolarHBondContact CA-OG1 3.39Å; V514-T517 PolarHBondContact O-N 3.21Å; V514-T517 PolarHBondContact O-OG1 3.21Å; V514-Q518 WeakPolarHBondContact O-CB 3.38Å; V514-Q518 WeakPolarHBondContact O-CG 3.48Å; V514-Q518 PolarHBondContact O-N 2.65Å
515	I	93.4	Very high	86.4	Confident	113 Å²	113	101 Å²	101	58%	0.579	55%	0.548	S	S	*	.	H	α-helix	trans	-63.6	-41.4	177.1	-68.1	164.9	0	0	0	110.5	M511 I513 Q518 S519	M511-I515 VanDerWaalsContact O-CG1 3.26Å; M511-I515 WeakPolarHBondContact O-CG1 3.43Å; M511-I515 PolarHBondContact O-N 3.04Å; I513-I515 PolarHBondContact O-N 2.87Å; I515-Q518 PolarHBondContact O-N 3.35Å; I515-S519 PolarHBondContact O-N 3.3Å
516	H	90.9	Very high	85.9	Confident	96 Å²	96	103.9 Å²	103.9	44%	0.444	56%	0.558	S	S	.	*	H	α-helix	trans	-69.8	-35.3	179	-172.3	64	0	0	0	113.1	T512 I513 V514 S519 K520	T512-H516 VanDerWaalsContact O-CB 3.31Å; T512-H516 WeakPolarHBondContact O-CB 3.43Å; T512-H516 PolarHBondContact O-N 3.05Å; I513-H516 PolarHBondContact O-N 2.94Å; V514-H516 VanDerWaalsContact C-N 3.33Å; V514-H516 PolarHBondContact O-N 3.49Å; H516-S519 PolarHBondContact O-OG 3.4Å; H516-S519 VanDerWaalsContact O-OG 3.11Å; H516-K520 WeakPolarHBondContact NE2-CE 3.38Å; H516-K520 PolarHBondContact NE2-NZ 3.48Å; H516-K520 PolarHBondContact O-N 3Å
517	T	90.6	Very high	85.2	Confident	65 Å²	65	104.3 Å²	104.3	40%	0.399	56%	0.561	S	S	.	*	H	α-helix	trans	-67.6	-42.1	173.4	48.8	0	0	0	0	111.1	I513 V514 S519 K520 E521	I513-T517 HydrophobicContact CG2-CG2 4.37Å; I513-T517 WeakPolarHBondContact O-CG2 3.48Å; I513-T517 PolarHBondContact O-N 2.7Å; I513-T517 PolarHBondContact O-OG1 3.26Å; I513-T517 VanDerWaalsContact O-OG1 3.11Å; V514-T517 WeakPolarHBondContact CA-OG1 3.39Å; V514-T517 PolarHBondContact O-N 3.21Å; V514-T517 PolarHBondContact O-OG1 3.21Å; T517-S519 PolarHBondContact O-N 2.92Å; T517-K520 PolarHBondContact O-N 3.39Å; T517-E521 WeakPolarHBondContact O-CG 3.19Å; T517-E521 PolarHBondContact O-N 3.19Å
518	Q	87.6	Confident	84.5	Confident	120 Å²	120	105.9 Å²	105.9	56%	0.561	57%	0.571	S	S	*	*	H	α-helix	trans	-65	-37.4	176	-74.4	-179.7	-14.9	0	0	112.3	V514 I515 E521 A522	V514-Q518 WeakPolarHBondContact O-CB 3.38Å; V514-Q518 WeakPolarHBondContact O-CG 3.48Å; V514-Q518 PolarHBondContact O-N 2.65Å; I515-Q518 PolarHBondContact O-N 3.35Å; Q518-E521 PolarHBondContact O-N 2.64Å; Q518-A522 WeakPolarHBondContact O-CB 3.46Å; Q518-A522 PolarHBondContact O-N 3.49Å
519	S	81.8	Confident	83.8	Confident	48 Å²	48	106.9 Å²	106.9	34%	0.336	58%	0.577	S	S	.	*	H	α-helix	trans	-67.8	-39.2	175.9	82.7	0	0	0	0	111.9	I515 H516 T517 A522 E523	I515-S519 PolarHBondContact O-N 3.3Å; H516-S519 PolarHBondContact O-OG 3.4Å; H516-S519 VanDerWaalsContact O-OG 3.11Å; T517-S519 PolarHBondContact O-N 2.92Å; S519-A522 PolarHBondContact O-N 3.01Å; S519-E523 PolarHBondContact O-N 2.75Å
520	K	79.8	Confident	82.9	Confident	116 Å²	116	107.6 Å²	107.6	50%	0.504	58%	0.583	S	S	.	*	H	α-helix	trans	-66	-38.3	175.6	-83.5	-175.5	168.4	169.7	0	112.9	H516 T517 A522 E523 Q524	H516-K520 WeakPolarHBondContact NE2-CE 3.38Å; H516-K520 PolarHBondContact NE2-NZ 3.48Å; H516-K520 PolarHBondContact O-N 3Å; T517-K520 PolarHBondContact O-N 3.39Å; K520-A522 VanDerWaalsContact C-N 3.3Å; K520-E523 PolarHBondContact O-N 2.86Å; K520-Q524 PolarHBondContact O-N 3.06Å
521	E	75.7	Confident	82	Confident	141 Å²	141	109.7 Å²	109.7	66%	0.659	59%	0.591	S	S	*	*	H	α-helix	trans	-65.7	-34.5	173.5	-75	175.2	-177.9	0	0	111.6	T517 Q518	T517-E521 WeakPolarHBondContact O-CG 3.19Å; T517-E521 PolarHBondContact O-N 3.19Å; Q518-E521 PolarHBondContact O-N 2.64Å
522	A	71.8	Confident	81	Confident	88 Å²	88	110.3 Å²	110.3	73%	0.727	60%	0.598	S	S	*	*	H	α-helix	trans	-74.5	-21.5	175.5	0	0	0	0	0	114.2	Q518 S519 K520	Q518-A522 WeakPolarHBondContact O-CB 3.46Å; Q518-A522 PolarHBondContact O-N 3.49Å; S519-A522 PolarHBondContact O-N 3.01Å; K520-A522 VanDerWaalsContact C-N 3.3Å
523	E	69.7	Low	79.8	Confident	155 Å²	155	112.2 Å²	112.2	72%	0.724	60%	0.604	S	S	*	*	H	α-helix	trans	-91.2	-10.5	177.5	-77.3	179.3	178.9	0	0	113.9	S519 K520 P525	S519-E523 PolarHBondContact O-N 2.75Å; K520-E523 PolarHBondContact O-N 2.86Å; E523-P525 VanDerWaalsContact O-CD 3.29Å; E523-P525 WeakPolarHBondContact O-CD 3.36Å
524	Q	54.8	Low	78.5	Confident	155 Å²	155	113.3 Å²	113.3	72%	0.724	61%	0.611	S	S	*	*			trans	-79.5	112.9	172.4	-80.1	-174.5	-21.5	0	0	109.5	K520	K520-Q524 PolarHBondContact O-N 3.06Å
525	P	51.7	Low	77.1	Confident	198 Å²	198	117.7 Å²	117.7	100%	1.286	63%	0.631	S	S	*	*			trans	-69.3	0	-173.1	28.5	-35.1	0	0	0	114.5	E523	E523-P525 VanDerWaalsContact O-CD 3.29Å; E523-P525 WeakPolarHBondContact O-CD 3.36Å

Retrieved 525 of 525 residues in 3599.8 ms (Link to these results)

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