A0A087YRP6_POEFO Loading...

Sulfotransferase

AlphaFold DB , UniProt , Accession A0A087YRP6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 428 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	45.7	Very low	74	Confident	243 Å²	243	132.8 Å²	132.8	100%	1.197	68%	0.678	S	S	*	*				0	103.6	0	-74.8	174.9	153.4	0	0	108.2	C3	M1-C3 PolarHBondContact O-N 3.26Å
2	Q	51.5	Low	74.8	Confident	203 Å²	203	125.8 Å²	125.8	95%	0.949	66%	0.655	S	S	*	*			trans	-79.6	111.8	176.3	-74.6	177	-15.6	0	0	108.3	S4	Q2-S4 PolarHBondContact O-N 3.02Å; Q2-S4 VanDerWaalsContact O-N 3.14Å
3	C	59.3	Low	75.7	Confident	110 Å²	110	124.5 Å²	124.5	74%	0.743	65%	0.648	S	S	*	*			trans	-66.2	110.6	170.8	-97.5	0	0	0	0	108.5	M1	M1-C3 PolarHBondContact O-N 3.26Å
4	S	81.4	Confident	76.4	Confident	63 Å²	63	118.9 Å²	118.9	44%	0.441	63%	0.629	S	S	.	*			trans	-61.8	136.8	173.6	176.7	0	0	0	0	109.6	Q2 K6 S7 V8	Q2-S4 PolarHBondContact O-N 3.02Å; Q2-S4 VanDerWaalsContact O-N 3.14Å; S4-K6 PolarHBondContact O-N 2.81Å; S4-K6 PolarHBondContact OG-N 3.17Å; S4-S7 WeakPolarHBondContact O-CA 3.22Å; S4-S7 VanDerWaalsContact O-CB 3.32Å; S4-S7 WeakPolarHBondContact O-CB 3.38Å; S4-S7 PolarHBondContact O-N 3.08Å; S4-V8 PolarHBondContact O-N 3.13Å
5	W	78.1	Confident	77	Confident	203 Å²	203	114.4 Å²	114.4	77%	0.769	61%	0.612	S	S	*	*	H	α-helix	trans	-48.9	-36.7	175.1	-173	-41	0	0	0	111	S7 V8 I9	W5-S7 PolarHBondContact O-N 3.06Å; W5-V8 PolarHBondContact O-N 3.26Å; W5-I9 VanDerWaalsContact NE1-CD1 3.28Å; W5-I9 PolarHBondContact O-N 3.23Å
6	K	80.1	Confident	77.6	Confident	164 Å²	164	113.9 Å²	113.9	71%	0.713	61%	0.608	S	S	*	*	H	α-helix	trans	-56.5	-36.9	176.7	-64.7	-176.3	177.5	-178.2	0	112.8	S4 L10	S4-K6 PolarHBondContact O-N 2.81Å; S4-K6 PolarHBondContact OG-N 3.17Å; K6-L10 WeakPolarHBondContact O-CB 3.45Å; K6-L10 PolarHBondContact O-N 3.45Å; K6-L10 VanDerWaalsContact O-N 3.1Å
7	S	80.3	Confident	77.9	Confident	57 Å²	57	110.6 Å²	110.6	40%	0.399	60%	0.6	S	S	.	*	H	α-helix	trans	-70.9	-35.2	176.5	-55.1	0	0	0	0	112.4	S4 W5 L10 L11	S4-S7 WeakPolarHBondContact O-CA 3.22Å; S4-S7 VanDerWaalsContact O-CB 3.32Å; S4-S7 WeakPolarHBondContact O-CB 3.38Å; S4-S7 PolarHBondContact O-N 3.08Å; W5-S7 PolarHBondContact O-N 3.06Å; S7-L10 PolarHBondContact O-N 3.27Å; S7-L11 WeakPolarHBondContact O-CB 3.09Å; S7-L11 WeakPolarHBondContact O-CG 3.47Å; S7-L11 PolarHBondContact O-N 2.67Å
8	V	81.6	Confident	78.2	Confident	84 Å²	84	110.9 Å²	110.9	51%	0.509	60%	0.6	S	S	.	*	H	α-helix	trans	-68.8	-42	176.9	-179.3	0	0	0	0	111	S4 W5 L11 A12	S4-V8 PolarHBondContact O-N 3.13Å; W5-V8 PolarHBondContact O-N 3.26Å; V8-L11 PolarHBondContact O-N 3.04Å; V8-A12 WeakPolarHBondContact O-CB 3.31Å; V8-A12 PolarHBondContact O-N 3.37Å
9	I	85.9	Confident	78.3	Confident	86 Å²	86	111.1 Å²	111.1	44%	0.441	60%	0.596	S	S	.	*	H	α-helix	trans	-62.6	-44.1	174.4	-72	172.7	0	0	0	110.6	W5 L11 A12 L13	W5-I9 VanDerWaalsContact NE1-CD1 3.28Å; W5-I9 PolarHBondContact O-N 3.23Å; I9-L11 VanDerWaalsContact C-N 3.33Å; I9-L11 PolarHBondContact O-N 3.18Å; I9-A12 PolarHBondContact O-N 3.4Å; I9-L13 HydrophobicContact CG2-CD1 3.8Å; I9-L13 HydrophobicContact CG2-CG 4.25Å; I9-L13 WeakPolarHBondContact O-CG 3.28Å; I9-L13 PolarHBondContact O-N 3.43Å
10	L	85.7	Confident	78.6	Confident	124 Å²	124	113.2 Å²	113.2	65%	0.649	60%	0.596	S	S	*	*	H	α-helix	trans	-60.7	-42.6	178.6	-113.1	151.9	0	0	0	112.1	K6 S7 L13 A14	K6-L10 WeakPolarHBondContact O-CB 3.45Å; K6-L10 PolarHBondContact O-N 3.45Å; K6-L10 VanDerWaalsContact O-N 3.1Å; S7-L10 PolarHBondContact O-N 3.27Å; L10-L13 PolarHBondContact O-N 2.89Å; L10-A14 WeakPolarHBondContact O-CB 3.25Å; L10-A14 PolarHBondContact O-N 3.47Å
11	L	84.1	Confident	78.5	Confident	124 Å²	124	111.7 Å²	111.7	65%	0.649	59%	0.592	S	S	*	*	H	α-helix	trans	-66.8	-38.7	175.8	-75.8	165	0	0	0	112.4	S7 V8 I9 A14 S15	S7-L11 WeakPolarHBondContact O-CB 3.09Å; S7-L11 WeakPolarHBondContact O-CG 3.47Å; S7-L11 PolarHBondContact O-N 2.67Å; V8-L11 PolarHBondContact O-N 3.04Å; I9-L11 VanDerWaalsContact C-N 3.33Å; I9-L11 PolarHBondContact O-N 3.18Å; L11-A14 PolarHBondContact O-N 2.81Å; L11-S15 WeakPolarHBondContact O-CB 3.43Å; L11-S15 PolarHBondContact O-N 3.11Å
12	A	84	Confident	79.7	Confident	49 Å²	49	102.5 Å²	102.5	41%	0.405	55%	0.554	S	S	.	*	H	α-helix	trans	-65.1	-44.4	176.2	0	0	0	0	0	111.8	V8 I9 S15 I16	V8-A12 WeakPolarHBondContact O-CB 3.31Å; V8-A12 PolarHBondContact O-N 3.37Å; I9-A12 PolarHBondContact O-N 3.4Å; A12-S15 PolarHBondContact O-N 2.91Å; A12-I16 WeakPolarHBondContact O-CG1 3.44Å; A12-I16 PolarHBondContact O-N 3.05Å
13	L	87.1	Confident	80.7	Confident	108 Å²	108	97.9 Å²	97.9	57%	0.565	54%	0.535	S	S	*	.	H	α-helix	trans	-66.1	-40.5	177.2	-69.4	174	0	0	0	112	I9 L10 I16 A17	I9-L13 HydrophobicContact CG2-CD1 3.8Å; I9-L13 HydrophobicContact CG2-CG 4.25Å; I9-L13 WeakPolarHBondContact O-CG 3.28Å; I9-L13 PolarHBondContact O-N 3.43Å; L10-L13 PolarHBondContact O-N 2.89Å; L13-I16 PolarHBondContact O-N 2.9Å; L13-A17 PolarHBondContact O-N 2.95Å
14	A	84.6	Confident	81.1	Confident	46 Å²	46	100.2 Å²	100.2	38%	0.38	53%	0.528	S	S	.	.	H	α-helix	trans	-62.9	-41.2	174.1	0	0	0	0	0	111.9	L10 L11 A17 I18	L10-A14 WeakPolarHBondContact O-CB 3.25Å; L10-A14 PolarHBondContact O-N 3.47Å; L11-A14 PolarHBondContact O-N 2.81Å; A14-A17 PolarHBondContact O-N 3.33Å; A14-I18 WeakPolarHBondContact O-CD1 3.5Å; A14-I18 VanDerWaalsContact O-CG1 3.24Å; A14-I18 WeakPolarHBondContact O-CG1 3.29Å; A14-I18 PolarHBondContact O-N 2.69Å
15	S	85.1	Confident	80.5	Confident	52 Å²	52	101.1 Å²	101.1	36%	0.364	53%	0.531	S	S	.	.	H	α-helix	trans	-62.1	-44.5	176.4	-177.2	0	0	0	0	112.2	L11 A12 A17 I18 Q19	L11-S15 WeakPolarHBondContact O-CB 3.43Å; L11-S15 PolarHBondContact O-N 3.11Å; A12-S15 PolarHBondContact O-N 2.91Å; S15-A17 PolarHBondContact O-N 2.03Å; S15-I18 PolarHBondContact O-N 3.33Å; S15-Q19 WeakPolarHBondContact O-CB 3.49Å; S15-Q19 VanDerWaalsContact O-CG 3.29Å; S15-Q19 WeakPolarHBondContact O-CG 3.39Å; S15-Q19 PolarHBondContact O-N 2.88Å
16	I	86.4	Confident	79.5	Confident	107 Å²	107	97.8 Å²	97.8	55%	0.549	53%	0.528	S	S	.	.	H	α-helix	trans	-63.7	-42.5	177.5	-67.6	165.7	0	0	0	110.8	A12 L13 Q19 Y20	A12-I16 WeakPolarHBondContact O-CG1 3.44Å; A12-I16 PolarHBondContact O-N 3.05Å; L13-I16 PolarHBondContact O-N 2.9Å; I16-Q19 PolarHBondContact O-N 2.82Å; I16-Y20 WeakPolarHBondContact O-CB 3.01Å; I16-Y20 PolarHBondContact O-N 3.18Å
17	A	84.3	Confident	78.4	Confident	57 Å²	57	95 Å²	95	47%	0.471	53%	0.525	S	S	.	.	H	α-helix	trans	-60.3	-47.4	176.7	0	0	0	0	0	111.2	L13 A14 S15 Q19 Y20 T21	L13-A17 PolarHBondContact O-N 2.95Å; A14-A17 PolarHBondContact O-N 3.33Å; S15-A17 PolarHBondContact O-N 2.03Å; A17-Q19 PolarHBondContact O-N 3.13Å; A17-Y20 PolarHBondContact O-N 3.23Å; A17-T21 PolarHBondContact O-N 3.29Å; A17-T21 PolarHBondContact O-OG1 3.27Å
18	I	82.9	Confident	76.9	Confident	117 Å²	117	96.1 Å²	96.1	60%	0.6	53%	0.533	S	S	*	.	H	α-helix	trans	-62.3	-43.8	178.6	-67.3	164.3	0	0	0	111.5	A14 S15 Y20 T21 A22	A14-I18 WeakPolarHBondContact O-CD1 3.5Å; A14-I18 VanDerWaalsContact O-CG1 3.24Å; A14-I18 WeakPolarHBondContact O-CG1 3.29Å; A14-I18 PolarHBondContact O-N 2.69Å; S15-I18 PolarHBondContact O-N 3.33Å; I18-Y20 VanDerWaalsContact C-N 3.33Å; I18-Y20 PolarHBondContact O-N 2.83Å; I18-T21 PolarHBondContact O-N 2.67Å; I18-T21 PolarHBondContact O-OG1 2.93Å; I18-A22 WeakPolarHBondContact O-CB 3.01Å; I18-A22 PolarHBondContact O-N 3.48Å
19	Q	79.4	Confident	75	Confident	114 Å²	114	99.4 Å²	99.4	53%	0.533	54%	0.54	S	S	.	.	H	α-helix	trans	-63.2	-40.8	177.2	-73.3	178	3.4	0	0	111.3	S15 I16 A17 A22 I23	S15-Q19 WeakPolarHBondContact O-CB 3.49Å; S15-Q19 VanDerWaalsContact O-CG 3.29Å; S15-Q19 WeakPolarHBondContact O-CG 3.39Å; S15-Q19 PolarHBondContact O-N 2.88Å; I16-Q19 PolarHBondContact O-N 2.82Å; A17-Q19 PolarHBondContact O-N 3.13Å; Q19-A22 PolarHBondContact O-N 3.49Å; Q19-I23 WeakPolarHBondContact O-CB 3.46Å; Q19-I23 WeakPolarHBondContact O-CD1 3.2Å; Q19-I23 VanDerWaalsContact O-CG1 3.24Å; Q19-I23 WeakPolarHBondContact O-CG1 3.33Å; Q19-I23 PolarHBondContact O-N 3.37Å
20	Y	83.9	Confident	72.8	Confident	152 Å²	152	101 Å²	101	60%	0.596	56%	0.556	S	S	*	*	H	α-helix	trans	-64.5	-43.5	176.3	-177	-100.7	0	0	0	112.2	I16 A17 I18 R24	I16-Y20 WeakPolarHBondContact O-CB 3.01Å; I16-Y20 PolarHBondContact O-N 3.18Å; A17-Y20 PolarHBondContact O-N 3.23Å; I18-Y20 VanDerWaalsContact C-N 3.33Å; I18-Y20 PolarHBondContact O-N 2.83Å; Y20-R24 VanDerWaalsContact O-CB 3.25Å; Y20-R24 WeakPolarHBondContact O-CB 3.38Å; Y20-R24 PolarHBondContact O-N 3.3Å
21	T	76.9	Confident	70.5	Confident	82 Å²	82	104 Å²	104	50%	0.503	56%	0.564	S	S	.	*	H	α-helix	trans	-64.8	-40.1	174.9	1.9	0	0	0	0	112	A17 I18 R24 T25	A17-T21 PolarHBondContact O-N 3.29Å; A17-T21 PolarHBondContact O-OG1 3.27Å; I18-T21 PolarHBondContact O-N 2.67Å; I18-T21 PolarHBondContact O-OG1 2.93Å; T21-R24 PolarHBondContact O-N 3.47Å; T21-T25 WeakPolarHBondContact O-CB 3.48Å; T21-T25 PolarHBondContact O-N 2.63Å; T21-T25 PolarHBondContact O-OG1 2.95Å
22	A	71.6	Confident	68.2	Low	50 Å²	50	107 Å²	107	41%	0.413	58%	0.575	S	S	.	*	H	α-helix	trans	-64.1	-46.7	178.5	0	0	0	0	0	112	I18 Q19 T25 L26	I18-A22 WeakPolarHBondContact O-CB 3.01Å; I18-A22 PolarHBondContact O-N 3.48Å; Q19-A22 PolarHBondContact O-N 3.49Å; A22-T25 PolarHBondContact O-N 3.1Å; A22-L26 WeakPolarHBondContact O-CG 3.46Å; A22-L26 PolarHBondContact O-N 2.89Å; A22-L26 VanDerWaalsContact O-N 3.08Å
23	I	72.4	Confident	65.7	Low	107 Å²	107	112.4 Å²	112.4	55%	0.549	60%	0.596	S	S	.	*	H	α-helix	trans	-62.3	-46.8	176.3	-67.7	166.4	0	0	0	110	Q19 T25 L26 T27	Q19-I23 WeakPolarHBondContact O-CB 3.46Å; Q19-I23 WeakPolarHBondContact O-CD1 3.2Å; Q19-I23 VanDerWaalsContact O-CG1 3.24Å; Q19-I23 WeakPolarHBondContact O-CG1 3.33Å; Q19-I23 PolarHBondContact O-N 3.37Å; I23-T25 VanDerWaalsContact C-N 3.3Å; I23-T25 PolarHBondContact O-N 3.21Å; I23-L26 PolarHBondContact O-N 2.97Å; I23-L26 VanDerWaalsContact O-N 3.15Å; I23-T27 HydrophobicContact CG2-CG2 4.42Å; I23-T27 WeakPolarHBondContact O-CG2 3.3Å; I23-T27 PolarHBondContact O-N 3.31Å; I23-T27 PolarHBondContact O-OG1 3.19Å
24	R	68	Low	63.1	Low	159 Å²	159	112.6 Å²	112.6	60%	0.6	61%	0.605	S	S	*	*	H	α-helix	trans	-61.3	-38.1	179.3	-165.8	178.3	-179.3	-168.5	1.1	112.5	Y20 T21 T27 S28	Y20-R24 VanDerWaalsContact O-CB 3.25Å; Y20-R24 WeakPolarHBondContact O-CB 3.38Å; Y20-R24 PolarHBondContact O-N 3.3Å; T21-R24 PolarHBondContact O-N 3.47Å; R24-T27 WeakPolarHBondContact CA-OG1 3.37Å; R24-T27 PolarHBondContact O-N 2.98Å; R24-T27 PolarHBondContact O-OG1 3.37Å; R24-T27 VanDerWaalsContact O-OG1 3.05Å; R24-S28 VanDerWaalsContact O-CB 3.28Å; R24-S28 WeakPolarHBondContact O-CB 3.28Å; R24-S28 PolarHBondContact O-N 3.26Å; R24-S28 PolarHBondContact O-OG 3.23Å; R24-S28 VanDerWaalsContact O-OG 3.04Å
25	T	67.2	Low	60.6	Low	82 Å²	82	116.4 Å²	116.4	50%	0.503	63%	0.626	S	S	.	*	H	α-helix	trans	-69.7	-31.7	178.1	-51.6	0	0	0	0	112.2	T21 A22 I23	T21-T25 WeakPolarHBondContact O-CB 3.48Å; T21-T25 PolarHBondContact O-N 2.63Å; T21-T25 PolarHBondContact O-OG1 2.95Å; A22-T25 PolarHBondContact O-N 3.1Å; I23-T25 VanDerWaalsContact C-N 3.3Å; I23-T25 PolarHBondContact O-N 3.21Å
26	L	58	Low	58.2	Low	132 Å²	132	121.6 Å²	121.6	69%	0.691	65%	0.649	S	S	*	*	H	α-helix	trans	-76.1	-31.7	174.3	-71.2	167	0	0	0	112.4	A22 I23	A22-L26 WeakPolarHBondContact O-CG 3.46Å; A22-L26 PolarHBondContact O-N 2.89Å; A22-L26 VanDerWaalsContact O-N 3.08Å; I23-L26 PolarHBondContact O-N 2.97Å; I23-L26 VanDerWaalsContact O-N 3.15Å
27	T	57.6	Low	55.7	Low	107 Å²	107	122.2 Å²	122.2	66%	0.656	66%	0.66	S	S	*	*	H	α-helix	trans	-86	-17.3	-179.4	52.9	0	0	0	0	114.4	I23 R24	I23-T27 HydrophobicContact CG2-CG2 4.42Å; I23-T27 WeakPolarHBondContact O-CG2 3.3Å; I23-T27 PolarHBondContact O-N 3.31Å; I23-T27 PolarHBondContact O-OG1 3.19Å; R24-T27 WeakPolarHBondContact CA-OG1 3.37Å; R24-T27 PolarHBondContact O-N 2.98Å; R24-T27 PolarHBondContact O-OG1 3.37Å; R24-T27 VanDerWaalsContact O-OG1 3.05Å
28	S	47.9	Very low	53.1	Low	80 Å²	80	125 Å²	125	56%	0.559	68%	0.676	S	S	*	*	S	Bend	trans	-93	-2	-174.5	64.5	0	0	0	0	115	R24	R24-S28 VanDerWaalsContact O-CB 3.28Å; R24-S28 WeakPolarHBondContact O-CB 3.28Å; R24-S28 PolarHBondContact O-N 3.26Å; R24-S28 PolarHBondContact O-OG 3.23Å; R24-S28 VanDerWaalsContact O-OG 3.04Å
29	K	41.7	Very low	51.1	Low	153 Å²	153	125 Å²	125	67%	0.665	68%	0.683	S	S	*	*	S	Bend	trans	-112.6	114.9	172.6	-69.2	-171	178.1	-175.9	0	109.9	F31	K29-F31 PolarHBondContact O-N 3.08Å
30	P	39.2	Very low	48.8	Very low	120 Å²	120	128.1 Å²	128.1	78%	0.779	70%	0.698	S	S	*	*			trans	-64.2	128.8	164.7	28	-30	0	0	0	107.6	Q32	P30-Q32 PolarHBondContact O-N 3.1Å
31	F	38.8	Very low	46.2	Very low	186 Å²	186	128 Å²	128	82%	0.816	71%	0.708	S	S	*	*			trans	-57.1	106.4	173.1	-78	-92.3	0	0	0	109.1	K29 L33	K29-F31 PolarHBondContact O-N 3.08Å; F31-L33 PolarHBondContact O-N 2.8Å; F31-L33 VanDerWaalsContact O-N 3.12Å
32	Q	34.4	Very low	44	Very low	188 Å²	188	131.1 Å²	131.1	88%	0.879	73%	0.731	S	S	*	*			trans	-66.8	105.1	160.6	-84.7	179.2	-38.5	0	0	107.1	P30 C34	P30-Q32 PolarHBondContact O-N 3.1Å; Q32-C34 PolarHBondContact O-N 3.33Å
33	L	32.4	Very low	41.9	Very low	161 Å²	161	132 Å²	132	84%	0.843	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-54.5	122.7	162.3	-99.2	80.7	0	0	0	108	F31	F31-L33 PolarHBondContact O-N 2.8Å; F31-L33 VanDerWaalsContact O-N 3.12Å
34	C	31.6	Very low	40	Very low	112 Å²	112	135.8 Å²	135.8	76%	0.757	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-62	136.2	162.8	-66.5	0	0	0	0	108.6	Q32 L36	Q32-C34 PolarHBondContact O-N 3.33Å; C34-L36 PolarHBondContact O-N 3.34Å
35	P	33.4	Very low	38.1	Very low	127 Å²	127	131.7 Å²	131.7	83%	0.825	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-69.3	126.3	172	17.4	-13.5	0	0	0	109.6
36	L	34.4	Very low	36.4	Very low	161 Å²	161	132.2 Å²	132.2	84%	0.843	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-63.2	136.7	167.2	-79.9	157.1	0	0	0	109.3	C34 S38	C34-L36 PolarHBondContact O-N 3.34Å; L36-S38 PolarHBondContact O-N 2.85Å
37	P	33.1	Very low	35	Very low	120 Å²	120	133.8 Å²	133.8	78%	0.779	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-76.1	118.9	173.7	29	-29.6	0	0	0	110.1
38	S	30.5	Very low	33.6	Very low	114 Å²	114	136 Å²	136	80%	0.797	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-66.9	134.5	169.9	-42.4	0	0	0	0	110.3	L36	L36-S38 PolarHBondContact O-N 2.85Å
39	P	40.7	Very low	32.8	Very low	117 Å²	117	138.7 Å²	138.7	76%	0.76	81%	0.805	S	S	*	*			trans	-92.5	106.8	172.1	32.5	-24.7	0	0	0	109.2
40	Q	30.4	Very low	32.1	Very low	181 Å²	181	138.4 Å²	138.4	85%	0.846	81%	0.811	S	S	*	*			trans	-173.5	129	144.3	-103.3	162.8	26.9	0	0	112.6
41	N	30.5	Very low	32.3	Very low	150 Å²	150	137.9 Å²	137.9	80%	0.802	81%	0.808	S	S	*	*			trans	77.7	86.6	157.5	-66.3	-0.3	0	0	0	120	G43	N41-G43 PolarHBondContact O-N 3.21Å
42	C	29.5	Very low	31.8	Very low	146 Å²	146	133.4 Å²	133.4	99%	0.986	80%	0.8	S	S	*	*			trans	-67.6	111.7	131.3	-75	0	0	0	0	108.5
43	G	29.2	Very low	31.5	Very low	69 Å²	69	133 Å²	133	71%	0.711	80%	0.795	S	S	*	*			trans	-155.9	120	171.6	0	0	0	0	0	109.3	N41	N41-G43 PolarHBondContact O-N 3.21Å
44	L	31.4	Very low	31.4	Very low	187 Å²	187	133.7 Å²	133.7	98%	0.979	79%	0.794	S	S	*	*			trans	-61.9	145.5	177.9	-70.8	146.1	0	0	0	111.8
45	G	28.8	Very low	31.4	Very low	73 Å²	73	140.3 Å²	140.3	75%	0.753	80%	0.803	S	S	*	*			trans	138.6	98.3	152.6	0	0	0	0	0	117.5
46	A	30.6	Very low	31.2	Very low	93 Å²	93	137.5 Å²	137.5	77%	0.769	80%	0.797	S	S	*	*			trans	38.8	129.5	134.9	0	0	0	0	0	123.5
47	Q	29.2	Very low	31.5	Very low	164 Å²	164	136 Å²	136	77%	0.766	80%	0.797	S	S	*	*			trans	72.7	109.4	133.7	-87.2	180	-55	0	0	122.4
48	E	29	Very low	31.4	Very low	154 Å²	154	135.4 Å²	135.4	72%	0.72	80%	0.802	S	S	*	*				65.7	134.3	114.5	-82.2	-179.2	159.5	0	0	122.5
49	T	31.1	Very low	31.4	Very low	136 Å²	136	133.8 Å²	133.8	83%	0.834	80%	0.804	S	S	*	*			trans	95.1	104.7	151	59.8	0	0	0	0	120.1
50	D	27	Very low	30.9	Very low	147 Å²	147	132.1 Å²	132.1	79%	0.786	81%	0.808	S	S	*	*			trans	-68.1	161.5	144.6	-143	1.5	0	0	0	108.8
51	P	42.9	Very low	31	Very low	109 Å²	109	129 Å²	129	71%	0.708	81%	0.812	S	S	*	*				-152.9	157.4	61.3	40.8	-19	0	0	0	119
52	S	28.2	Very low	31	Very low	93 Å²	93	125.1 Å²	125.1	65%	0.65	81%	0.809	S	S	*	*			trans	51	129.3	137.3	65.5	0	0	0	0	122.5
53	F	28	Very low	31.2	Very low	179 Å²	179	124.2 Å²	124.2	79%	0.785	80%	0.802	S	S	*	*				-179.7	150.1	100.6	-138	-112.4	0	0	0	114.4
54	E	30.7	Very low	31.5	Very low	175 Å²	175	127.4 Å²	127.4	82%	0.818	80%	0.803	S	S	*	*			trans	84.9	142.3	155	-104.3	167.4	-140.2	0	0	124.1
55	R	30.9	Very low	31.7	Very low	252 Å²	252	126.6 Å²	126.6	95%	0.951	80%	0.8	S	S	*	*			trans	-140	131.1	-151	-175.3	-167.7	-71.7	-166.5	-1.4	109.3
56	G	28.6	Very low	32.1	Very low	67 Å²	67	132.9 Å²	132.9	69%	0.691	80%	0.802	S	S	*	*			trans	143.1	158.4	157.1	0	0	0	0	0	115.5
57	P	41.4	Very low	32.4	Very low	130 Å²	130	133.5 Å²	133.5	84%	0.844	80%	0.798	S	S	*	*				-126	155.6	-72.8	36.3	-25.5	0	0	0	114.8
58	A	31.6	Very low	32.8	Very low	107 Å²	107	135.8 Å²	135.8	88%	0.884	80%	0.801	S	S	*	*			trans	41.8	116	148.5	0	0	0	0	0	121.6
59	G	29.2	Very low	33.2	Very low	81 Å²	81	137 Å²	137	84%	0.835	81%	0.805	S	S	*	*			trans	165.2	106.6	149.2	0	0	0	0	0	115.5
60	G	30.2	Very low	33.5	Very low	82 Å²	82	135 Å²	135	85%	0.845	80%	0.796	S	S	*	*			trans	95.6	106	149.8	0	0	0	0	0	117
61	A	34	Very low	34	Very low	114 Å²	114	134.1 Å²	134.1	94%	0.942	79%	0.79	S	S	*	*			trans	-59.3	136.9	168	0	0	0	0	0	112.4
62	G	29.9	Very low	33.7	Very low	70 Å²	70	136.7 Å²	136.7	72%	0.722	80%	0.798	S	S	*	*			trans	-173.6	80.6	169.7	0	0	0	0	0	108.6	D64	G62-D64 PolarHBondContact O-N 2.97Å; G62-D64 VanDerWaalsContact O-N 3.09Å
63	C	33.6	Very low	34.5	Very low	127 Å²	127	135.5 Å²	135.5	86%	0.858	79%	0.793	S	S	*	*			trans	-58.9	113.1	176.5	-56.9	0	0	0	0	109.6
64	D	34.3	Very low	36.1	Very low	136 Å²	136	133 Å²	133	73%	0.727	79%	0.793	S	S	*	*			trans	30.4	106.5	141.2	-58	-32	0	0	0	117	G62 Y66	G62-D64 PolarHBondContact O-N 2.97Å; G62-D64 VanDerWaalsContact O-N 3.09Å; D64-Y66 VanDerWaalsContact C-N 3.31Å; D64-Y66 PolarHBondContact O-N 3.41Å
65	D	37.2	Very low	38.6	Very low	170 Å²	170	130.7 Å²	130.7	91%	0.909	78%	0.777	S	S	*	*			trans	-41.5	95.8	145.8	-88.5	-36.9	0	0	0	110	P67	D65-P67 WeakPolarHBondContact O-CD 3.36Å
66	Y	35.6	Very low	41.5	Very low	205 Å²	205	121 Å²	121	80%	0.804	74%	0.741	S	S	*	*			trans	-72.8	119.8	158.4	-102.1	-91.1	0	0	0	107.1	D64 Y68	D64-Y66 VanDerWaalsContact C-N 3.31Å; D64-Y66 PolarHBondContact O-N 3.41Å; Y66-Y68 PolarHBondContact O-N 3.28Å
67	P	38.5	Very low	44.8	Very low	105 Å²	105	118.1 Å²	118.1	68%	0.682	71%	0.71	S	S	*	*			trans	-60.5	113.9	173.7	24.2	-29.6	0	0	0	106.9	D65 F69	D65-P67 WeakPolarHBondContact O-CD 3.36Å; P67-F69 PolarHBondContact O-N 3.03Å
68	Y	36.6	Very low	47.5	Very low	212 Å²	212	112.5 Å²	112.5	83%	0.831	67%	0.673	S	S	*	*			trans	-44.4	112.5	168.2	-147	-97.7	0	0	0	106.1	Y66 S70	Y66-Y68 PolarHBondContact O-N 3.28Å; Y68-S70 PolarHBondContact O-N 3.16Å
69	F	36.8	Very low	50.7	Low	181 Å²	181	107.4 Å²	107.4	79%	0.794	63%	0.631	S	S	*	*			trans	-61.6	88.7	164.9	-89.4	-85.6	0	0	0	105.9	P67 I71	P67-F69 PolarHBondContact O-N 3.03Å; F69-I71 HydrophobicContact CB-CG1 4.4Å; F69-I71 PolarHBondContact O-N 3.22Å
70	S	38	Very low	54	Low	93 Å²	93	103.5 Å²	103.5	65%	0.65	59%	0.591	S	S	*	*			trans	-68.9	77.1	164.9	46.1	0	0	0	0	106.8	Y68 N72	Y68-S70 PolarHBondContact O-N 3.16Å; S70-N72 PolarHBondContact O-N 2.99Å
71	I	37.8	Very low	57.3	Low	128 Å²	128	99.6 Å²	99.6	66%	0.656	55%	0.55	S	S	*	*			trans	-68.6	90.5	161.5	-61.3	-178.3	0	0	0	105.3	F69 A73	F69-I71 HydrophobicContact CB-CG1 4.4Å; F69-I71 PolarHBondContact O-N 3.22Å; I71-A73 HydrophobicContact CG2-CB 3.45Å; I71-A73 VanDerWaalsContact CG2-CB 3.45Å; I71-A73 PolarHBondContact O-N 2.93Å
72	N	37	Very low	60.4	Low	164 Å²	164	94.4 Å²	94.4	88%	0.877	51%	0.507	S	S	*	.			trans	-69.6	46.2	161	-91.5	-15	0	0	0	110.5	S70	S70-N72 PolarHBondContact O-N 2.99Å
73	A	45.3	Very low	63.6	Low	67 Å²	67	91.5 Å²	91.5	55%	0.554	48%	0.476	S	S	*	.			trans	-92	107.9	158.6	0	0	0	0	0	105.6	I71 R75	I71-A73 HydrophobicContact CG2-CB 3.45Å; I71-A73 VanDerWaalsContact CG2-CB 3.45Å; I71-A73 PolarHBondContact O-N 2.93Å; A73-R75 PolarHBondContact O-N 2.95Å
74	T	60.9	Low	66.5	Low	126 Å²	126	86.3 Å²	86.3	77%	0.773	44%	0.44	S	S	*	.			trans	-52	107.2	171.1	47.4	0	0	0	0	108.3	K76	T74-K76 PolarHBondContact O-N 3.17Å
75	R	82.2	Confident	69.3	Low	127 Å²	127	81.2 Å²	81.2	48%	0.479	41%	0.414	S	S	.	.			trans	-62.7	122.6	-172.2	-174.8	172.6	170.1	173.1	-12.1	109.8	A73 L77 P239 R240 L241 N242	A73-R75 PolarHBondContact O-N 2.95Å; R75-L77 PolarHBondContact O-N 2.95Å; R75-L77 VanDerWaalsContact O-N 3.15Å; R75-P239 VanDerWaalsContact CZ-O 3.23Å; R75-P239 PolarHBondContact NH1-O 3.26Å; R75-P239 VanDerWaalsContact NH2-C 3.26Å; R75-P239 PolarHBondContact NH2-O 3.18Å; R75-R240 VanDerWaalsContact NH2-CA 3.25Å; R75-R240 PolarHBondContact NH2-O 3.48Å; R75-L241 VanDerWaalsContact NH2-C 3.31Å; R75-N242 HydrophobicContact CG-CB 4.11Å
76	K	93.3	Very high	71.9	Confident	48 Å²	48	75.5 Å²	75.5	21%	0.209	38%	0.38	C	S	.	.			trans	-44	119.4	179.5	175.4	165	-73.6	-159.1	0	110.5	T74 H78 C146 C213 Q214 K216 K217 V219	T74-K76 PolarHBondContact O-N 3.17Å; K76-H78 PolarHBondContact O-CE1 3.03Å; K76-H78 PolarHBondContact O-ND1 3.33Å; K76-C146 PolarHBondContact NZ-SG 3.29Å; K76-C146 VanDerWaalsContact NZ-SG 3.45Å; K76-C213 PolarHBondContact NZ-O 3.27Å; K76-Q214 PolarHBondContact NZ-O 2.83Å; K76-K216 WeakPolarHBondContact CE-O 3.48Å; K76-K216 PolarHBondContact NZ-O 2.79Å; K76-K217 WeakPolarHBondContact CA-O 3.36Å; K76-K217 VanDerWaalsContact CG-O 3.29Å; K76-K217 WeakPolarHBondContact CG-O 3.34Å; K76-V219 HydrophobicContact CD-CG2 3.88Å
77	L	97.6	Very high	74.6	Confident	8 Å²	8	65.8 Å²	65.8	4%	0.042	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	130.3	174.7	-179.5	66.6	0	0	0	109.3	R75 I79 H218 V219 K244 L336 L338	R75-L77 PolarHBondContact O-N 2.95Å; R75-L77 VanDerWaalsContact O-N 3.15Å; L77-I79 HydrophobicContact CD2-CD1 4.06Å; L77-I79 HydrophobicContact CD2-CG1 3.97Å; L77-I79 HydrophobicContact CG-CD1 4.43Å; L77-I79 HydrophobicContact CG-CG1 3.92Å; L77-H218 HydrophobicContact CB-CB 4.41Å; L77-H218 WeakPolarHBondContact CB-ND1 3.42Å; L77-H218 PolarHBondContact N-ND1 3.36Å; L77-H218 WeakPolarHBondContact O-CA 3.16Å; L77-V219 PolarHBondContact O-N 3.46Å; L77-K244 HydrophobicContact CD1-CB 4.45Å; L77-K244 HydrophobicContact CD1-CD 3.96Å; L77-K244 HydrophobicContact CD1-CG 3.95Å; L77-L336 HydrophobicContact CD2-CB 4.17Å; L77-L336 HydrophobicContact CD2-CD2 4.29Å; L77-L338 HydrophobicContact CD2-CD1 4.09Å; L77-L338 HydrophobicContact CD2-CD2 4.34Å; L77-L338 HydrophobicContact CD2-CG 4.19Å
78	H	98.5	Very high	77.2	Confident	11 Å²	11	61.6 Å²	61.6	5%	0.051	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.8	177.2	-51.5	105.5	0	0	0	108.6	K76 Y144 V219 N242 I243 K244	K76-H78 PolarHBondContact O-CE1 3.03Å; K76-H78 PolarHBondContact O-ND1 3.33Å; H78-Y144 HydrophobicContact CB-CD1 3.51Å; H78-Y144 HydrophobicContact CB-CD2 4.45Å; H78-Y144 HydrophobicContact CB-CE1 3.72Å; H78-Y144 HydrophobicContact CB-CG 3.92Å; H78-Y144 AromaticContact CD2-CD1 3.61Å; H78-Y144 AromaticContact CD2-CG 3.82Å; H78-Y144 PolarHBondContact CD2-O 2.96Å; H78-Y144 AromaticContact CG-CD1 3.84Å; H78-Y144 PolarHBondContact NE2-O 3.02Å; H78-V219 CarbonylContact C-O 3.58Å; H78-V219 WeakPolarHBondContact CA-O 3.33Å; H78-N242 PolarHBondContact N-O 3.08Å; H78-N242 PolarHBondContact ND1-N 3.26Å; H78-N242 VanDerWaalsContact ND1-N 3.12Å; H78-N242 PolarHBondContact ND1-O 3.41Å; H78-I243 HydrophobicContact CB-CB 4.12Å; H78-I243 HydrophobicContact CB-CG1 4.23Å; H78-I243 CarbonylContact O-C 3.59Å; H78-I243 VanDerWaalsContact O-CA 3.23Å; H78-I243 WeakPolarHBondContact O-CA 3.4Å; H78-K244 PolarHBondContact O-N 2.99Å
79	I	98.8	Very high	79.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	116.2	-172.7	-53.3	165	0	0	0	108.3	L77 L96 I102 Y144 V219 A220 I221 K244 I246 L336 L338	L77-I79 HydrophobicContact CD2-CD1 4.06Å; L77-I79 HydrophobicContact CD2-CG1 3.97Å; L77-I79 HydrophobicContact CG-CD1 4.43Å; L77-I79 HydrophobicContact CG-CG1 3.92Å; I79-L96 HydrophobicContact CD1-CD2 4.4Å; I79-L96 HydrophobicContact CG2-CD1 3.8Å; I79-I102 HydrophobicContact CD1-CD1 4.1Å; I79-Y144 PolarHBondContact O-OH 3.45Å; I79-Y144 VanDerWaalsContact O-OH 3.14Å; I79-V219 PolarHBondContact N-O 2.97Å; I79-A220 HydrophobicContact CB-CB 4.05Å; I79-A220 HydrophobicContact CD1-CB 4.45Å; I79-A220 CarbonylContact O-C 3.51Å; I79-A220 VanDerWaalsContact O-CA 3.28Å; I79-A220 WeakPolarHBondContact O-CA 3.38Å; I79-I221 PolarHBondContact O-N 2.87Å; I79-K244 WeakPolarHBondContact CA-O 2.97Å; I79-I246 HydrophobicContact CG2-CD1 3.98Å; I79-L336 HydrophobicContact CD1-CD1 3.87Å; I79-L336 HydrophobicContact CD1-CD2 4.24Å; I79-L336 HydrophobicContact CG1-CD1 4.49Å; I79-L336 HydrophobicContact CG1-CD2 3.99Å; I79-L336 HydrophobicContact CG2-CD1 4.47Å; I79-L336 HydrophobicContact CG2-CD2 4.08Å; I79-L338 HydrophobicContact CD1-CD1 4.32Å
80	L	98.8	Very high	82.6	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120.7	173.6	-168.6	78	0	0	0	110.3	L140 Y144 I221 V223 L232 I243 K244 V245 I246	L80-L140 HydrophobicContact CD1-CD1 4.26Å; L80-L140 HydrophobicContact CD1-CD2 4.14Å; L80-Y144 VanDerWaalsContact CA-OH 3.27Å; L80-Y144 WeakPolarHBondContact CA-OH 3.47Å; L80-Y144 VanDerWaalsContact CB-OH 3.25Å; L80-Y144 WeakPolarHBondContact CB-OH 3.46Å; L80-Y144 WeakPolarHBondContact CD1-OH 3.41Å; L80-Y144 PolarHBondContact N-OH 3.18Å; L80-I221 WeakPolarHBondContact CA-O 3.31Å; L80-I221 HydrophobicContact CD1-CB 4.47Å; L80-V223 HydrophobicContact CD1-CG1 4.12Å; L80-V223 HydrophobicContact CD1-CG2 4Å; L80-V223 HydrophobicContact CD2-CG2 4.47Å; L80-V223 HydrophobicContact CG-CG2 4.3Å; L80-L232 HydrophobicContact CD2-CD1 3.22Å; L80-L232 HydrophobicContact CD2-CD2 3.61Å; L80-L232 HydrophobicContact CD2-CG 4.01Å; L80-I243 HydrophobicContact CB-CD1 4.25Å; L80-K244 PolarHBondContact N-O 2.91Å; L80-V245 HydrophobicContact CB-CG1 4.4Å; L80-V245 HydrophobicContact CB-CG2 4.26Å; L80-V245 HydrophobicContact CD2-CG1 4.26Å; L80-V245 HydrophobicContact CD2-CG2 4.39Å; L80-V245 CarbonylContact O-C 3.54Å; L80-V245 WeakPolarHBondContact O-CA 3.35Å; L80-I246 PolarHBondContact O-N 3.23Å
81	V	98.8	Very high	85.3	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	100.2	167.5	-178	0	0	0	0	108.3	V92 L96 I221 K222 V223 I246 L248	V81-V92 HydrophobicContact CG1-CG1 4.13Å; V81-V92 HydrophobicContact CG2-CG1 4.16Å; V81-L96 HydrophobicContact CG2-CD1 3.7Å; V81-I221 PolarHBondContact N-O 2.94Å; V81-K222 HydrophobicContact CB-CB 4.04Å; V81-K222 HydrophobicContact CB-CG 4.04Å; V81-K222 HydrophobicContact CG1-CG 4.06Å; V81-V223 PolarHBondContact O-N 3.04Å; V81-I246 WeakPolarHBondContact CA-O 3.36Å; V81-L248 HydrophobicContact CG1-CD1 3.56Å; V81-L248 HydrophobicContact CG1-CG 4.19Å
82	L	98.4	Very high	88.1	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121.7	175.7	176.2	64.9	0	0	0	109.4	V223 V226 I229 L232 V245 I246 Q247 L248	L82-V223 HydrophobicContact CD1-CG2 4.24Å; L82-V226 HydrophobicContact CD1-CB 3.78Å; L82-V226 HydrophobicContact CD1-CG1 3.94Å; L82-I229 HydrophobicContact CD2-CB 4.04Å; L82-I229 HydrophobicContact CD2-CD1 4.1Å; L82-L232 HydrophobicContact CD1-CD1 4.25Å; L82-L232 HydrophobicContact CD2-CD1 4.05Å; L82-V245 HydrophobicContact CB-CG1 3.97Å; L82-I246 PolarHBondContact N-O 2.92Å; L82-Q247 HydrophobicContact CD2-CB 4.47Å; L82-Q247 HydrophobicContact CD2-CG 4.18Å; L82-Q247 HydrophobicContact CG-CG 4.46Å; L82-Q247 CarbonylContact O-C 3.58Å; L82-Q247 WeakPolarHBondContact O-CA 3.25Å; L82-L248 PolarHBondContact O-N 3.29Å
83	A	97.2	Very high	91	Very high	9 Å²	9	27.4 Å²	27.4	7%	0.074	15%	0.153	C	C	.	.			trans	-149.7	172.4	-173.1	0	0	0	0	0	113	V223 V224 L248	A83-V223 PolarHBondContact N-O 2.02Å; A83-V224 HydrophobicContact CB-CG1 4.13Å; A83-V224 VanDerWaalsContact O-CA 3.23Å; A83-V224 WeakPolarHBondContact O-CA 3.44Å; A83-L248 HydrophobicContact CB-CB 4.17Å; A83-L248 HydrophobicContact CB-CD1 4.28Å
84	T	94.3	Very high	93.3	Very high	19 Å²	19	25.5 Å²	25.5	12%	0.117	13%	0.133	C	C	.	.			trans	-112.5	158.9	162.7	-162.9	0	0	0	0	111.3	R86 S87 I255 R259 I291 F295	T84-R86 PolarHBondContact O-N 3.4Å; T84-S87 PolarHBondContact N-OG 3.06Å; T84-S87 VanDerWaalsContact O-CB 3.28Å; T84-S87 WeakPolarHBondContact O-CB 3.21Å; T84-S87 PolarHBondContact O-N 3.47Å; T84-S87 VanDerWaalsContact O-N 3.09Å; T84-S87 PolarHBondContact O-OG 2.84Å; T84-I255 HydrophobicContact CG2-CD1 3.8Å; T84-R259 PolarHBondContact OG1-NH2 3.18Å; T84-I291 HydrophobicContact CG2-CG2 4.48Å; T84-F295 HydrophobicContact CG2-CE1 3.65Å; T84-F295 HydrophobicContact CG2-CE2 4.36Å; T84-F295 HydrophobicContact CG2-CZ 3.4Å
85	T	92.8	Very high	95	Very high	29 Å²	29	19.7 Å²	19.7	18%	0.178	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	129.6	179.7	-56.1	0	0	0	0	110.4	V224 R259 F263	T85-V224 WeakPolarHBondContact OG1-CG2 3.27Å; T85-R259 PolarHBondContact O-NE 3.26Å; T85-R259 VanDerWaalsContact O-NE 3.14Å; T85-R259 PolarHBondContact O-NH2 3.48Å; T85-F263 HydrophobicContact CG2-CE2 3.86Å; T85-F263 HydrophobicContact CG2-CZ 3.63Å
86	R	92.3	Very high	95.7	Very high	50 Å²	50	13.7 Å²	13.7	19%	0.189	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	18.1	-173.8	-47.4	-56.9	-65.1	176.3	-0.4	116	T84 G88 R250 S258 R259 F263 K363	T84-R86 PolarHBondContact O-N 3.4Å; R86-G88 VanDerWaalsContact C-N 3.34Å; R86-R250 WeakPolarHBondContact O-CD 3.45Å; R86-R250 PolarHBondContact O-NH1 3.21Å; R86-S258 VanDerWaalsContact CZ-OG 3.24Å; R86-S258 PolarHBondContact NE-OG 2.91Å; R86-S258 PolarHBondContact NH2-OG 3.08Å; R86-R259 HydrophobicContact CB-CG 4.37Å; R86-R259 HydrophobicContact CG-CG 3.72Å; R86-F263 HydrophobicContact CG-CE2 4.25Å; R86-K363 PolarHBondContact NH1-O 2.83Å; R86-K363 PolarHBondContact NH2-O 3.31Å
87	S	93.3	Very high	95.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.066	C	C	.	.	S	Bend	trans	-83.8	0.7	171.8	58.2	0	0	0	0	115.2	T84 Y318	T84-S87 PolarHBondContact N-OG 3.06Å; T84-S87 VanDerWaalsContact O-CB 3.28Å; T84-S87 WeakPolarHBondContact O-CB 3.21Å; T84-S87 PolarHBondContact O-N 3.47Å; T84-S87 VanDerWaalsContact O-N 3.09Å; T84-S87 PolarHBondContact O-OG 2.84Å; S87-Y318 WeakPolarHBondContact O-CD2 3.4Å
88	G	92.1	Very high	95.7	Very high	17 Å²	17	12 Å²	12	18%	0.175	7%	0.067	C	C	.	.	S	Bend	trans	92.1	7	-174.7	0	0	0	0	0	114.6	R86 S90 F91 V92	R86-G88 VanDerWaalsContact C-N 3.34Å; G88-S90 VanDerWaalsContact C-N 3.26Å; G88-S90 PolarHBondContact O-N 3.43Å; G88-F91 WeakPolarHBondContact O-CB 3.37Å; G88-F91 PolarHBondContact O-N 3.24Å; G88-V92 PolarHBondContact O-N 3.49Å
89	S	94.6	Very high	95.5	Very high	5 Å²	5	11.8 Å²	11.8	4%	0.035	7%	0.066	C	C	.	.	H	α-helix	trans	-60.6	-26.6	-178.3	65.6	0	0	0	0	115.6	F91 G93 K222 L248	S89-F91 VanDerWaalsContact C-N 3.3Å; S89-F91 PolarHBondContact O-N 3.43Å; S89-G93 PolarHBondContact O-N 2.91Å; S89-K222 WeakPolarHBondContact O-CD 3Å; S89-L248 VanDerWaalsContact CA-CD1 3.46Å
90	S	93.6	Very high	95.2	Very high	28 Å²	28	17.6 Å²	17.6	20%	0.196	9%	0.093	C	C	.	.	H	α-helix	trans	-62.9	-37	171.9	-58.4	0	0	0	0	112.3	G88 Q94	G88-S90 VanDerWaalsContact C-N 3.26Å; G88-S90 PolarHBondContact O-N 3.43Å; S90-Q94 WeakPolarHBondContact O-CG 3.31Å; S90-Q94 PolarHBondContact O-N 2.93Å; S90-Q94 VanDerWaalsContact O-N 3.16Å
91	F	94.5	Very high	95.1	Very high	26 Å²	26	20.7 Å²	20.7	11%	0.114	11%	0.108	C	C	.	.	H	α-helix	trans	-68.5	-50.1	177.7	179.8	-95.4	0	0	0	110.2	G88 S89 G93 Q94 L95 L321 P325 W347 T352	G88-F91 WeakPolarHBondContact O-CB 3.37Å; G88-F91 PolarHBondContact O-N 3.24Å; S89-F91 VanDerWaalsContact C-N 3.3Å; S89-F91 PolarHBondContact O-N 3.43Å; F91-G93 VanDerWaalsContact C-N 3.33Å; F91-G93 PolarHBondContact O-N 2.97Å; F91-Q94 WeakPolarHBondContact O-CA 3.48Å; F91-Q94 WeakPolarHBondContact O-CB 3.34Å; F91-Q94 PolarHBondContact O-N 2.73Å; F91-L95 HydrophobicContact CD1-CD1 4.12Å; F91-L95 HydrophobicContact CD1-CD2 4.42Å; F91-L95 HydrophobicContact CD1-CG 4.24Å; F91-L95 HydrophobicContact CE1-CD1 3.88Å; F91-L95 HydrophobicContact CE1-CD2 3.82Å; F91-L95 HydrophobicContact CE1-CG 4.05Å; F91-L95 HydrophobicContact CZ-CD2 3.96Å; F91-L95 WeakPolarHBondContact O-CG 2.97Å; F91-L95 PolarHBondContact O-N 3.37Å; F91-L321 HydrophobicContact CD1-CD2 3.96Å; F91-L321 HydrophobicContact CD1-CG 4.42Å; F91-L321 HydrophobicContact CE1-CD1 4.38Å; F91-L321 HydrophobicContact CE1-CD2 4.16Å; F91-L321 HydrophobicContact CE1-CG 4.17Å; F91-P325 HydrophobicContact CZ-CB 4.28Å; F91-W347 AromaticContact CD2-CH2 3.71Å; F91-W347 HydrophobicContact CD2-CH2 3.71Å; F91-W347 AromaticContact CD2-CZ3 3.86Å; F91-W347 HydrophobicContact CD2-CZ3 3.86Å; F91-W347 AromaticContact CE2-CH2 3.82Å; F91-W347 HydrophobicContact CE2-CH2 3.82Å; F91-W347 AromaticContact CE2-CZ3 3.53Å; F91-W347 HydrophobicContact CE2-CZ3 3.53Å; F91-W347 HydrophobicContact CZ-CZ3 4.06Å; F91-T352 HydrophobicContact CE2-CG2 3.53Å; F91-T352 HydrophobicContact CZ-CG2 3.52Å
92	V	96.4	Very high	95	Very high	2 Å²	2	21 Å²	21	1%	0.012	11%	0.109	C	C	.	.	H	α-helix	trans	-61.1	-40.4	177.4	175.7	0	0	0	0	112.5	V81 G88 Q94 L95 L96 L248 L321	V81-V92 HydrophobicContact CG1-CG1 4.13Å; V81-V92 HydrophobicContact CG2-CG1 4.16Å; G88-V92 PolarHBondContact O-N 3.49Å; V92-Q94 VanDerWaalsContact C-N 3.26Å; V92-Q94 PolarHBondContact O-N 2.89Å; V92-L95 HydrophobicContact CG2-CD1 4.42Å; V92-L95 WeakPolarHBondContact O-CB 3.46Å; V92-L95 PolarHBondContact O-N 3.35Å; V92-L95 VanDerWaalsContact O-N 3.11Å; V92-L96 PolarHBondContact O-N 3.02Å; V92-L248 HydrophobicContact CB-CD1 3.8Å; V92-L248 HydrophobicContact CG1-CD1 4.16Å; V92-L248 HydrophobicContact CG2-CD1 3.7Å; V92-L248 HydrophobicContact CG2-CD2 3.72Å; V92-L248 HydrophobicContact CG2-CG 4.36Å; V92-L321 HydrophobicContact CG2-CD2 3.36Å
93	G	96.4	Very high	95	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-58	-40.1	172.9	0	0	0	0	0	112.2	S89 F91 L96 N97	S89-G93 PolarHBondContact O-N 2.91Å; F91-G93 VanDerWaalsContact C-N 3.33Å; F91-G93 PolarHBondContact O-N 2.97Å; G93-L96 PolarHBondContact O-N 3.41Å; G93-N97 VanDerWaalsContact O-CB 3.31Å; G93-N97 WeakPolarHBondContact O-CB 3.44Å; G93-N97 PolarHBondContact O-N 2.88Å
94	Q	94.8	Very high	95	Very high	27 Å²	27	20.3 Å²	20.3	13%	0.126	11%	0.105	C	C	.	.	H	α-helix	trans	-67.3	-37.5	174.1	-72.8	-56.6	-38.3	0	0	112.7	S90 F91 V92 L96 N97 Q98 A172 W347 T366	S90-Q94 WeakPolarHBondContact O-CG 3.31Å; S90-Q94 PolarHBondContact O-N 2.93Å; S90-Q94 VanDerWaalsContact O-N 3.16Å; F91-Q94 WeakPolarHBondContact O-CA 3.48Å; F91-Q94 WeakPolarHBondContact O-CB 3.34Å; F91-Q94 PolarHBondContact O-N 2.73Å; V92-Q94 VanDerWaalsContact C-N 3.26Å; V92-Q94 PolarHBondContact O-N 2.89Å; Q94-L96 PolarHBondContact O-N 3.08Å; Q94-L96 VanDerWaalsContact O-N 3.13Å; Q94-N97 PolarHBondContact NE2-ND2 3.38Å; Q94-N97 PolarHBondContact O-N 3Å; Q94-N97 VanDerWaalsContact O-N 3.09Å; Q94-N97 PolarHBondContact OE1-ND2 3.03Å; Q94-Q98 VanDerWaalsContact O-CG 3.26Å; Q94-Q98 WeakPolarHBondContact O-CG 3.49Å; Q94-Q98 PolarHBondContact O-N 3.36Å; Q94-Q98 VanDerWaalsContact OE1-NE2 3.15Å; Q94-A172 PolarHBondContact NE2-O 2.77Å; Q94-A172 VanDerWaalsContact NE2-O 3.14Å; Q94-W347 HydrophobicContact CB-CH2 3.35Å; Q94-W347 HydrophobicContact CB-CZ2 3.34Å; Q94-W347 HydrophobicContact CB-CZ3 4.02Å; Q94-W347 HydrophobicContact CG-CH2 4.11Å; Q94-W347 HydrophobicContact CG-CZ2 3.75Å; Q94-T366 HydrophobicContact CG-CG2 4Å
95	L	96.3	Very high	95.2	Very high	4 Å²	4	19.8 Å²	19.8	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-53.4	-36.9	175	-58.5	177	0	0	0	112.4	F91 V92 L321 T329 Y333 W347 I348	F91-L95 HydrophobicContact CD1-CD1 4.12Å; F91-L95 HydrophobicContact CD1-CD2 4.42Å; F91-L95 HydrophobicContact CD1-CG 4.24Å; F91-L95 HydrophobicContact CE1-CD1 3.88Å; F91-L95 HydrophobicContact CE1-CD2 3.82Å; F91-L95 HydrophobicContact CE1-CG 4.05Å; F91-L95 HydrophobicContact CZ-CD2 3.96Å; F91-L95 WeakPolarHBondContact O-CG 2.97Å; F91-L95 PolarHBondContact O-N 3.37Å; V92-L95 HydrophobicContact CG2-CD1 4.42Å; V92-L95 WeakPolarHBondContact O-CB 3.46Å; V92-L95 PolarHBondContact O-N 3.35Å; V92-L95 VanDerWaalsContact O-N 3.11Å; L95-L321 HydrophobicContact CD1-CD1 4.25Å; L95-L321 HydrophobicContact CD1-CD2 4.39Å; L95-T329 HydrophobicContact CB-CG2 4.23Å; L95-T329 HydrophobicContact CD1-CG2 3.95Å; L95-T329 WeakPolarHBondContact CD1-OG1 3.5Å; L95-T329 HydrophobicContact CD2-CG2 4.17Å; L95-T329 HydrophobicContact CG-CG2 4.34Å; L95-Y333 PolarHBondContact O-OH 2.94Å; L95-W347 HydrophobicContact CD2-CE3 4.14Å; L95-W347 HydrophobicContact CD2-CZ3 3.82Å; L95-I348 HydrophobicContact CD2-CD1 3.89Å; L95-I348 HydrophobicContact CD2-CG1 3.55Å
96	L	97.6	Very high	95.5	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.097	C	C	.	.	H	α-helix	trans	-80.4	-42.3	176.2	-58.8	174.6	0	0	0	112	I79 V81 V92 G93 Q94 Q98 H99 I102 A220 L336	I79-L96 HydrophobicContact CD1-CD2 4.4Å; I79-L96 HydrophobicContact CG2-CD1 3.8Å; V81-L96 HydrophobicContact CG2-CD1 3.7Å; V92-L96 PolarHBondContact O-N 3.02Å; G93-L96 PolarHBondContact O-N 3.41Å; Q94-L96 PolarHBondContact O-N 3.08Å; Q94-L96 VanDerWaalsContact O-N 3.13Å; L96-Q98 PolarHBondContact O-N 3.46Å; L96-H99 WeakPolarHBondContact O-CB 3.23Å; L96-H99 PolarHBondContact O-N 2.86Å; L96-H99 VanDerWaalsContact O-N 3.08Å; L96-I102 HydrophobicContact CB-CD1 4.25Å; L96-I102 HydrophobicContact CB-CG2 4.45Å; L96-I102 HydrophobicContact CD2-CD1 4.16Å; L96-A220 HydrophobicContact CB-CB 4.16Å; L96-A220 HydrophobicContact CD1-CB 3.85Å; L96-L336 HydrophobicContact CD2-CD1 3.8Å
97	N	95.8	Very high	95.7	Very high	7 Å²	7	17.2 Å²	17.2	4%	0.037	9%	0.089	C	C	.	.	H	α-helix	trans	-63.8	-20.2	-179.9	-170.2	46.8	0	0	0	113.7	G93 Q94 H99 Y104 A172 R174	G93-N97 VanDerWaalsContact O-CB 3.31Å; G93-N97 WeakPolarHBondContact O-CB 3.44Å; G93-N97 PolarHBondContact O-N 2.88Å; Q94-N97 PolarHBondContact NE2-ND2 3.38Å; Q94-N97 PolarHBondContact O-N 3Å; Q94-N97 VanDerWaalsContact O-N 3.09Å; Q94-N97 PolarHBondContact OE1-ND2 3.03Å; N97-H99 VanDerWaalsContact C-N 3.32Å; N97-Y104 HydrophobicContact CB-CD1 3.74Å; N97-Y104 HydrophobicContact CB-CE1 4.46Å; N97-Y104 HydrophobicContact CB-CG 3.84Å; N97-Y104 WeakPolarHBondContact OD1-CB 3.42Å; N97-A172 PolarHBondContact ND2-O 3Å; N97-R174 WeakPolarHBondContact O-CD 3.13Å; N97-R174 PolarHBondContact OD1-N 2.95Å
98	Q	94.2	Very high	95.9	Very high	12 Å²	12	17.5 Å²	17.5	6%	0.056	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.3	175.7	-64.6	-50.4	-42.8	0	0	113.9	Q94 L96 V344 W347	Q94-Q98 VanDerWaalsContact O-CG 3.26Å; Q94-Q98 WeakPolarHBondContact O-CG 3.49Å; Q94-Q98 PolarHBondContact O-N 3.36Å; Q94-Q98 VanDerWaalsContact OE1-NE2 3.15Å; L96-Q98 PolarHBondContact O-N 3.46Å; Q98-V344 HydrophobicContact CB-CB 4.46Å; Q98-V344 HydrophobicContact CB-CG2 3.88Å; Q98-W347 VanDerWaalsContact CD-CD1 3.45Å; Q98-W347 HydrophobicContact CG-CB 3.8Å; Q98-W347 HydrophobicContact CG-CD2 3.88Å; Q98-W347 HydrophobicContact CG-CE3 4.47Å; Q98-W347 HydrophobicContact CG-CG 3.52Å
99	H	95.1	Very high	96.1	Very high	8 Å²	8	16.7 Å²	16.7	4%	0.037	8%	0.082	C	C	.	.	S	Bend	trans	-80.9	134.6	177.6	-165.4	-85.8	0	0	0	111	L96 N97 E101 I102 Y333 H339 D341 V344	L96-H99 WeakPolarHBondContact O-CB 3.23Å; L96-H99 PolarHBondContact O-N 2.86Å; L96-H99 VanDerWaalsContact O-N 3.08Å; N97-H99 VanDerWaalsContact C-N 3.32Å; H99-E101 VanDerWaalsContact C-N 3.26Å; H99-E101 IonicContact CE1-OE2 2.97Å; H99-E101 PolarHBondContact ND1-N 2.97Å; H99-E101 PolarHBondContact O-N 3.04Å; H99-I102 HydrophobicContact CB-CB 4.23Å; H99-I102 HydrophobicContact CB-CD1 3.67Å; H99-I102 HydrophobicContact CB-CG1 3.85Å; H99-I102 PolarHBondContact O-N 3Å; H99-Y333 AromaticContact CD2-CE1 3.48Å; H99-Y333 VanDerWaalsContact CD2-CE1 3.48Å; H99-Y333 WeakPolarHBondContact CD2-CE1 3.47Å; H99-H339 PolarHBondContact CD2-O 3.48Å; H99-H339 PolarHBondContact NE2-O 3.22Å; H99-H339 VanDerWaalsContact NE2-O 3.13Å; H99-D341 IonicContact CD2-OD1 3.62Å; H99-D341 IonicContact CD2-OD2 3.41Å; H99-D341 PolarHBondContact CD2-OD2 3.1Å; H99-D341 IonicContact CE1-OD2 3.5Å; H99-D341 IonicContact CG-OD2 3.62Å; H99-D341 IonicContact ND1-OD2 2.77Å; H99-D341 IonicContact NE2-OD1 3.75Å; H99-D341 IonicContact NE2-OD2 2.77Å; H99-V344 HydrophobicContact CB-CG2 4.42Å
100	Q	92.9	Very high	96.2	Very high	121 Å²	121	20.7 Å²	20.7	57%	0.565	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-27.8	-170.1	-61.9	-175.4	20.2	0	0	113.4	K216 D341 N343	Q100-K216 VanDerWaalsContact O-CD 3.28Å; Q100-K216 WeakPolarHBondContact O-CD 3.47Å; Q100-K216 WeakPolarHBondContact O-CE 3.2Å; Q100-K216 PolarHBondContact O-NZ 3.26Å; Q100-D341 PolarHBondContact N-OD2 3.34Å; Q100-N343 PolarHBondContact NE2-ND2 3.13Å
101	E	95.4	Very high	96.3	Very high	66 Å²	66	19.7 Å²	19.7	31%	0.308	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	2.5	-175.4	-52.4	-171.8	126.1	0	0	114.3	H99 K217 H218	H99-E101 VanDerWaalsContact C-N 3.26Å; H99-E101 IonicContact CE1-OE2 2.97Å; H99-E101 PolarHBondContact ND1-N 2.97Å; H99-E101 PolarHBondContact O-N 3.04Å; E101-K217 HydrophobicContact CB-CB 4.19Å; E101-K217 HydrophobicContact CB-CG 4.4Å; E101-K217 PolarHBondContact O-N 2.97Å; E101-K217 VanDerWaalsContact O-N 3.1Å; E101-K217 VanDerWaalsContact OE1-CD 3.25Å; E101-K217 WeakPolarHBondContact OE1-CD 3.48Å; E101-K217 WeakPolarHBondContact OE1-CE 3.17Å; E101-K217 IonicContact OE1-NZ 3.61Å; E101-K217 PolarHBondContact OE1-NZ 2.95Å; E101-H218 PolarHBondContact O-N 3.38Å
102	I	97.4	Very high	96.3	Very high	5 Å²	5	18.5 Å²	18.5	3%	0.026	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	123.8	-178.8	-60.3	179.1	0	0	0	110.3	I79 L96 H99 H218 A220 L338	I79-I102 HydrophobicContact CD1-CD1 4.1Å; L96-I102 HydrophobicContact CB-CD1 4.25Å; L96-I102 HydrophobicContact CB-CG2 4.45Å; L96-I102 HydrophobicContact CD2-CD1 4.16Å; H99-I102 HydrophobicContact CB-CB 4.23Å; H99-I102 HydrophobicContact CB-CD1 3.67Å; H99-I102 HydrophobicContact CB-CG1 3.85Å; H99-I102 PolarHBondContact O-N 3Å; I102-H218 HydrophobicContact CG1-CB 4Å; I102-A220 HydrophobicContact CG2-CB 3.5Å; I102-L338 HydrophobicContact CD1-CD1 3.99Å
103	F	98	Very high	96.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	119.4	164.1	-175.3	-97.1	0	0	0	109.8	L105 L148 A175 L176 C213 K216 H218 V219 A220	F103-L105 HydrophobicContact CD1-CG 4.21Å; F103-L105 HydrophobicContact CE1-CD1 3.96Å; F103-L105 HydrophobicContact CE1-CD2 3.66Å; F103-L105 HydrophobicContact CE1-CG 3.6Å; F103-L105 HydrophobicContact CZ-CD2 4.02Å; F103-L105 HydrophobicContact CZ-CG 4.45Å; F103-L148 HydrophobicContact CE1-CD2 4.5Å; F103-L148 HydrophobicContact CZ-CD2 4.11Å; F103-A175 HydrophobicContact CD2-CB 3.49Å; F103-A175 VanDerWaalsContact CD2-CB 3.49Å; F103-A175 HydrophobicContact CE2-CB 3.77Å; F103-L176 HydrophobicContact CE2-CD2 3.93Å; F103-L176 HydrophobicContact CZ-CD2 3.88Å; F103-L176 HydrophobicContact CZ-CG 4.43Å; F103-C213 HydrophobicContact CD1-CB 3.83Å; F103-C213 VanDerWaalsContact CD1-SG 3.55Å; F103-C213 HydrophobicContact CD2-CB 3.86Å; F103-C213 HydrophobicContact CE1-CB 3.82Å; F103-C213 HydrophobicContact CE2-CB 3.87Å; F103-C213 HydrophobicContact CG-CB 3.85Å; F103-C213 HydrophobicContact CZ-CB 3.85Å; F103-K216 HydrophobicContact CB-CB 3.83Å; F103-K216 HydrophobicContact CB-CG 3.83Å; F103-H218 PolarHBondContact N-O 3.28Å; F103-V219 HydrophobicContact CB-CG2 4.29Å; F103-V219 HydrophobicContact CD1-CG1 4.45Å; F103-V219 CarbonylContact O-C 3.48Å; F103-V219 WeakPolarHBondContact O-CA 3.43Å; F103-A220 PolarHBondContact O-N 3.15Å
104	Y	98.3	Very high	95.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	136	-175	171.7	-103.8	0	0	0	112.8	N97 F106 S173 A220 K222	N97-Y104 HydrophobicContact CB-CD1 3.74Å; N97-Y104 HydrophobicContact CB-CE1 4.46Å; N97-Y104 HydrophobicContact CB-CG 3.84Å; N97-Y104 WeakPolarHBondContact OD1-CB 3.42Å; Y104-F106 HydrophobicContact CE1-CB 4.09Å; Y104-F106 HydrophobicContact CE1-CD2 4.32Å; Y104-F106 VanDerWaalsContact OH-CD2 3.32Å; Y104-F106 WeakPolarHBondContact OH-CD2 3.25Å; Y104-S173 WeakPolarHBondContact O-CB 3.35Å; Y104-S173 PolarHBondContact O-OG 3.15Å; Y104-A220 CarbonylContact C-O 3.49Å; Y104-A220 VanDerWaalsContact CA-O 3.27Å; Y104-A220 WeakPolarHBondContact CA-O 3.25Å; Y104-A220 HydrophobicContact CD2-CB 4.07Å; Y104-K222 HydrophobicContact CE2-CB 3.92Å; Y104-K222 WeakPolarHBondContact OH-CD 3.45Å; Y104-K222 VanDerWaalsContact OH-CE 3.26Å; Y104-K222 WeakPolarHBondContact OH-CE 3.34Å
105	L	98.4	Very high	95.6	Very high	7 Å²	7	23.8 Å²	23.8	4%	0.037	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.8	172	-67.1	175.9	0	0	0	112.4	F103 P108 L143 L176 A220 I221 K222	F103-L105 HydrophobicContact CD1-CG 4.21Å; F103-L105 HydrophobicContact CE1-CD1 3.96Å; F103-L105 HydrophobicContact CE1-CD2 3.66Å; F103-L105 HydrophobicContact CE1-CG 3.6Å; F103-L105 HydrophobicContact CZ-CD2 4.02Å; F103-L105 HydrophobicContact CZ-CG 4.45Å; L105-P108 HydrophobicContact CB-CG 4.47Å; L105-L143 HydrophobicContact CD1-CB 4.47Å; L105-L143 HydrophobicContact CD1-CD1 4.06Å; L105-L143 HydrophobicContact CD1-CD2 4.05Å; L105-L143 HydrophobicContact CD1-CG 4.44Å; L105-L176 HydrophobicContact CD2-CD1 4.2Å; L105-A220 PolarHBondContact N-O 2.93Å; L105-I221 HydrophobicContact CB-CG1 4.33Å; L105-K222 PolarHBondContact O-N 3.33Å; L105-K222 VanDerWaalsContact O-N 3.14Å
106	F	97.6	Very high	95.3	Very high	21 Å²	21	27.4 Å²	27.4	9%	0.092	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	107.6	178.6	-168.6	-75.2	0	0	0	111	Y104 F168 R169 A172 K222	Y104-F106 HydrophobicContact CE1-CB 4.09Å; Y104-F106 HydrophobicContact CE1-CD2 4.32Å; Y104-F106 VanDerWaalsContact OH-CD2 3.32Å; Y104-F106 WeakPolarHBondContact OH-CD2 3.25Å; F106-F168 HydrophobicContact CD1-CD1 4.31Å; F106-F168 AromaticContact CD1-CE1 3.92Å; F106-F168 HydrophobicContact CD1-CE1 3.92Å; F106-F168 AromaticContact CE1-CE1 3.89Å; F106-F168 HydrophobicContact CE1-CE1 3.89Å; F106-R169 HydrophobicContact CB-CB 4.49Å; F106-R169 HydrophobicContact CD1-CB 3.93Å; F106-R169 HydrophobicContact CD1-CG 4.35Å; F106-R169 HydrophobicContact CG-CB 4.31Å; F106-A172 HydrophobicContact CB-CB 3.84Å; F106-A172 HydrophobicContact CD2-CB 3.92Å; F106-A172 HydrophobicContact CG-CB 4.04Å; F106-K222 HydrophobicContact CE2-CD 4.36Å
107	E	97.3	Very high	94.8	Very high	4 Å²	4	28 Å²	28	2%	0.019	14%	0.141	C	C	.	.			trans	53.3	49.3	169.5	-58.9	-64.4	155.2	0	0	116	L109 Y110 F168 K222 V223 V224 R225	E107-L109 PolarHBondContact O-N 3.14Å; E107-L109 VanDerWaalsContact O-N 3.12Å; E107-Y110 VanDerWaalsContact O-CB 3.27Å; E107-Y110 WeakPolarHBondContact O-CB 3.43Å; E107-Y110 PolarHBondContact O-N 2.6Å; E107-F168 HydrophobicContact CB-CD1 3.96Å; E107-F168 HydrophobicContact CB-CE1 3.81Å; E107-F168 HydrophobicContact CG-CE1 4.37Å; E107-K222 VanDerWaalsContact CA-O 3.24Å; E107-K222 WeakPolarHBondContact CA-O 3.36Å; E107-K222 VanDerWaalsContact CG-NZ 3.25Å; E107-K222 PolarHBondContact N-O 2.96Å; E107-K222 VanDerWaalsContact OE1-CE 3.28Å; E107-K222 WeakPolarHBondContact OE1-CE 3.43Å; E107-K222 IonicContact OE1-NZ 2.72Å; E107-K222 PolarHBondContact OE1-NZ 3.42Å; E107-V223 WeakPolarHBondContact OE2-CA 3.17Å; E107-V224 VanDerWaalsContact OE1-CG1 3.23Å; E107-V224 WeakPolarHBondContact OE1-CG1 3.08Å; E107-V224 PolarHBondContact OE1-N 2.98Å; E107-V224 WeakPolarHBondContact OE2-CG2 3.34Å; E107-V224 PolarHBondContact OE2-N 3.38Å; E107-R225 IonicContact OE2-NH1 3.78Å; E107-R225 PolarHBondContact OE2-NH1 3.39Å; E107-R225 VanDerWaalsContact OE2-NH1 3.15Å
108	P	97.6	Very high	93.5	Very high	6 Å²	6	32 Å²	32	4%	0.039	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.4	-179.8	25.1	-33.9	0	0	0	112.8	L105 Y110 H111 L143 L151 I221	L105-P108 HydrophobicContact CB-CG 4.47Å; P108-Y110 PolarHBondContact O-N 2.99Å; P108-H111 PolarHBondContact O-N 3Å; P108-L143 HydrophobicContact CB-CD1 3.53Å; P108-L143 HydrophobicContact CG-CD1 3.64Å; P108-L151 HydrophobicContact CB-CD2 4.14Å; P108-I221 HydrophobicContact CG-CG2 3.52Å
109	L	97.1	Very high	92	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.6	-8.5	175	-59.5	-170.9	0	0	0	114.3	E107 H111 V112 Y113 L139 L140 V223 R225 V226	E107-L109 PolarHBondContact O-N 3.14Å; E107-L109 VanDerWaalsContact O-N 3.12Å; L109-H111 PolarHBondContact O-N 3.33Å; L109-V112 HydrophobicContact CD2-CG2 4.39Å; L109-V112 PolarHBondContact O-N 3.12Å; L109-Y113 PolarHBondContact O-N 3.13Å; L109-Y113 VanDerWaalsContact O-N 3.16Å; L109-L139 HydrophobicContact CD2-CB 4.49Å; L109-L139 HydrophobicContact CD2-CD2 3.94Å; L109-L139 HydrophobicContact CD2-CG 4.43Å; L109-L140 HydrophobicContact CD1-CD1 4.27Å; L109-L140 HydrophobicContact CD2-CD2 4.44Å; L109-L140 HydrophobicContact CD2-CG 4.12Å; L109-V223 HydrophobicContact CD1-CB 4.06Å; L109-V223 HydrophobicContact CD1-CG1 3.66Å; L109-V223 HydrophobicContact CG-CG1 3.93Å; L109-R225 HydrophobicContact CB-CB 4.44Å; L109-R225 WeakPolarHBondContact O-CD 3.08Å; L109-V226 HydrophobicContact CD1-CG2 3.74Å
110	Y	95.4	Very high	89.8	Confident	89 Å²	89	50.4 Å²	50.4	35%	0.349	24%	0.243	S	C	.	.	H	α-helix	trans	-54	-43.1	169	170.9	-100.4	0	0	0	111.7	E107 P108 Y113 A114 F168 R225	E107-Y110 VanDerWaalsContact O-CB 3.27Å; E107-Y110 WeakPolarHBondContact O-CB 3.43Å; E107-Y110 PolarHBondContact O-N 2.6Å; P108-Y110 PolarHBondContact O-N 2.99Å; Y110-Y113 PolarHBondContact O-N 3.09Å; Y110-A114 HydrophobicContact CE1-CB 4.3Å; Y110-A114 VanDerWaalsContact O-CB 3.28Å; Y110-A114 WeakPolarHBondContact O-CB 3.38Å; Y110-A114 PolarHBondContact O-N 3.34Å; Y110-F168 HydrophobicContact CD1-CB 3.54Å; Y110-F168 HydrophobicContact CD1-CD1 4.34Å; Y110-F168 AromaticContact CD1-CD2 3.69Å; Y110-F168 HydrophobicContact CD1-CD2 3.69Å; Y110-F168 HydrophobicContact CD1-CE2 4.49Å; Y110-F168 AromaticContact CD1-CG 3.59Å; Y110-F168 HydrophobicContact CD1-CG 3.59Å; Y110-F168 HydrophobicContact CD2-CD2 4.28Å; Y110-F168 HydrophobicContact CD2-CE2 4.32Å; Y110-F168 HydrophobicContact CE1-CB 4.18Å; Y110-F168 AromaticContact CE1-CD2 3.8Å; Y110-F168 HydrophobicContact CE1-CD2 3.8Å; Y110-F168 HydrophobicContact CE1-CG 4.17Å; Y110-F168 HydrophobicContact CE2-CD2 4.39Å; Y110-F168 HydrophobicContact CE2-CE2 4.37Å; Y110-F168 HydrophobicContact CG-CB 4.12Å; Y110-F168 HydrophobicContact CG-CD1 4.06Å; Y110-F168 AromaticContact CG-CD2 3.91Å; Y110-F168 HydrophobicContact CG-CD2 3.91Å; Y110-F168 HydrophobicContact CG-CE1 4.47Å; Y110-F168 HydrophobicContact CG-CE2 4.35Å; Y110-F168 AromaticContact CG-CG 3.76Å; Y110-F168 HydrophobicContact CG-CG 3.76Å; Y110-R225 VanDerWaalsContact CA-CZ 3.44Å; Y110-R225 VanDerWaalsContact CD2-NH2 3.34Å
111	H	95.5	Very high	87.7	Confident	8 Å²	8	46.3 Å²	46.3	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-68.6	-39.9	-175.8	-65.1	-60.5	0	0	0	112.5	P108 L109 Y113 A114 T115 K166 F168	P108-H111 PolarHBondContact O-N 3Å; L109-H111 PolarHBondContact O-N 3.33Å; H111-Y113 VanDerWaalsContact C-N 3.35Å; H111-Y113 PolarHBondContact O-N 2.94Å; H111-A114 PolarHBondContact O-N 3.33Å; H111-T115 VanDerWaalsContact O-CB 3.31Å; H111-T115 WeakPolarHBondContact O-CB 3.2Å; H111-T115 PolarHBondContact O-N 3.11Å; H111-T115 PolarHBondContact O-OG1 3.45Å; H111-K166 PolarHBondContact CE1-O 3Å; H111-K166 VanDerWaalsContact CE1-O 3.3Å; H111-F168 PolarHBondContact CE1-N 3.36Å; H111-F168 PolarHBondContact NE2-N 2.83Å; H111-F168 VanDerWaalsContact NE2-N 3.17Å
112	V	95.3	Very high	85.3	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.2	-50.6	173.5	178.6	0	0	0	0	109.9	L109 T115 L116 A135 L139 Y154	L109-V112 HydrophobicContact CD2-CG2 4.39Å; L109-V112 PolarHBondContact O-N 3.12Å; V112-T115 PolarHBondContact O-N 2.84Å; V112-L116 HydrophobicContact CG1-CD1 3.73Å; V112-L116 HydrophobicContact CG1-CG 4.44Å; V112-L116 WeakPolarHBondContact O-CB 3.29Å; V112-L116 WeakPolarHBondContact O-CG 3.34Å; V112-L116 PolarHBondContact O-N 2.05Å; V112-A135 HydrophobicContact CG1-CB 3.66Å; V112-L139 HydrophobicContact CG2-CB 4.35Å; V112-L139 HydrophobicContact CG2-CD2 3.41Å; V112-L139 VanDerWaalsContact CG2-CD2 3.41Å; V112-Y154 HydrophobicContact CB-CD1 4.42Å; V112-Y154 HydrophobicContact CG1-CE1 4.46Å; V112-Y154 HydrophobicContact CG2-CD1 4.08Å; V112-Y154 HydrophobicContact CG2-CD2 3.97Å; V112-Y154 HydrophobicContact CG2-CE1 4.15Å; V112-Y154 HydrophobicContact CG2-CE2 4.04Å; V112-Y154 HydrophobicContact CG2-CG 3.98Å
113	Y	91.3	Very high	82.9	Confident	43 Å²	43	55.1 Å²	55.1	17%	0.169	28%	0.275	C	S	.	.	H	α-helix	trans	-64.6	-43.5	-179.9	-172.1	-88.4	0	0	0	112.3	L109 Y110 H111 T115 V117 T132	L109-Y113 PolarHBondContact O-N 3.13Å; L109-Y113 VanDerWaalsContact O-N 3.16Å; Y110-Y113 PolarHBondContact O-N 3.09Å; H111-Y113 VanDerWaalsContact C-N 3.35Å; H111-Y113 PolarHBondContact O-N 2.94Å; Y113-T115 PolarHBondContact O-N 2.78Å; Y113-V117 HydrophobicContact CD1-CB 4.34Å; Y113-V117 HydrophobicContact CD1-CG2 4.48Å; Y113-V117 HydrophobicContact CD2-CB 4.35Å; Y113-V117 HydrophobicContact CD2-CG2 3.65Å; Y113-V117 HydrophobicContact CE1-CB 4.13Å; Y113-V117 HydrophobicContact CE1-CG1 4.24Å; Y113-V117 HydrophobicContact CE1-CG2 4.44Å; Y113-V117 HydrophobicContact CE2-CB 4.13Å; Y113-V117 HydrophobicContact CE2-CG1 4.25Å; Y113-V117 HydrophobicContact CE2-CG2 3.59Å; Y113-V117 HydrophobicContact CG-CB 4.44Å; Y113-V117 HydrophobicContact CG-CG2 4.1Å; Y113-V117 VanDerWaalsContact O-CB 3.28Å; Y113-V117 WeakPolarHBondContact O-CB 3.43Å; Y113-V117 PolarHBondContact O-N 3.13Å; Y113-T132 HydrophobicContact CD2-CG2 4.28Å
114	A	90.6	Very high	81.1	Confident	45 Å²	45	60.5 Å²	60.5	37%	0.372	30%	0.295	S	S	.	.	H	α-helix	trans	-65.9	-26.9	179.6	0	0	0	0	0	113.3	Y110 H111	Y110-A114 HydrophobicContact CE1-CB 4.3Å; Y110-A114 VanDerWaalsContact O-CB 3.28Å; Y110-A114 WeakPolarHBondContact O-CB 3.38Å; Y110-A114 PolarHBondContact O-N 3.34Å; H111-A114 PolarHBondContact O-N 3.33Å
115	T	91.6	Very high	79.3	Confident	52 Å²	52	64.1 Å²	64.1	32%	0.319	32%	0.315	S	S	.	.	H	α-helix	trans	-85.8	-42	178.4	-61.8	0	0	0	0	112.3	H111 V112 Y113 Y154	H111-T115 VanDerWaalsContact O-CB 3.31Å; H111-T115 WeakPolarHBondContact O-CB 3.2Å; H111-T115 PolarHBondContact O-N 3.11Å; H111-T115 PolarHBondContact O-OG1 3.45Å; V112-T115 PolarHBondContact O-N 2.84Å; Y113-T115 PolarHBondContact O-N 2.78Å; T115-Y154 HydrophobicContact CG2-CD1 4.42Å; T115-Y154 PolarHBondContact OG1-O 3.13Å
116	L	89.9	Confident	77.6	Confident	80 Å²	80	66.6 Å²	66.6	42%	0.419	33%	0.331	S	S	.	.	H	α-helix	trans	-94.5	-20.2	-171.2	-60.4	-178.3	0	0	0	114	V112 T132 A135	V112-L116 HydrophobicContact CG1-CD1 3.73Å; V112-L116 HydrophobicContact CG1-CG 4.44Å; V112-L116 WeakPolarHBondContact O-CB 3.29Å; V112-L116 WeakPolarHBondContact O-CG 3.34Å; V112-L116 PolarHBondContact O-N 2.05Å; L116-T132 HydrophobicContact CB-CG2 4.16Å; L116-T132 HydrophobicContact CD1-CG2 4.46Å; L116-A135 HydrophobicContact CD1-CB 3.75Å
117	V	85.4	Confident	76.1	Confident	13 Å²	13	69.3 Å²	69.3	8%	0.079	35%	0.349	C	S	.	.	S	Bend	trans	-104.4	120.8	-179.4	-175.6	0	0	0	0	110.1	Y113 D128 T132	Y113-V117 HydrophobicContact CD1-CB 4.34Å; Y113-V117 HydrophobicContact CD1-CG2 4.48Å; Y113-V117 HydrophobicContact CD2-CB 4.35Å; Y113-V117 HydrophobicContact CD2-CG2 3.65Å; Y113-V117 HydrophobicContact CE1-CB 4.13Å; Y113-V117 HydrophobicContact CE1-CG1 4.24Å; Y113-V117 HydrophobicContact CE1-CG2 4.44Å; Y113-V117 HydrophobicContact CE2-CB 4.13Å; Y113-V117 HydrophobicContact CE2-CG1 4.25Å; Y113-V117 HydrophobicContact CE2-CG2 3.59Å; Y113-V117 HydrophobicContact CG-CB 4.44Å; Y113-V117 HydrophobicContact CG-CG2 4.1Å; Y113-V117 VanDerWaalsContact O-CB 3.28Å; Y113-V117 WeakPolarHBondContact O-CB 3.43Å; Y113-V117 PolarHBondContact O-N 3.13Å; V117-D128 HydrophobicContact CG1-CB 3.89Å; V117-D128 HydrophobicContact CG2-CB 4.16Å; V117-T132 HydrophobicContact CG2-CG2 3.71Å
118	P	69.6	Low	74.9	Confident	91 Å²	91	70.6 Å²	70.6	59%	0.591	36%	0.357	S	S	*	.			trans	-58.3	137.6	-178.3	-24.4	33.1	0	0	0	113	Q120 S121	P118-Q120 PolarHBondContact O-N 3.32Å; P118-S121 PolarHBondContact O-N 2.97Å
119	R	61.7	Low	73.9	Confident	232 Å²	232	72 Å²	72	88%	0.875	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-14.9	-179.5	-69.9	-175.3	178	159.2	-0.1	114.8
120	Q	49.2	Very low	73	Confident	175 Å²	175	80 Å²	80	82%	0.818	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-8.3	-175.8	-71.3	174.7	-13	0	0	114.1	P118 H122	P118-Q120 PolarHBondContact O-N 3.32Å; Q120-H122 PolarHBondContact O-N 3.14Å
121	S	48.8	Very low	72.6	Confident	36 Å²	36	81 Å²	81	25%	0.252	41%	0.406	S	S	.	.			trans	-81.7	82.8	172.9	81.3	0	0	0	0	110.6	P118 T123 D128	P118-S121 PolarHBondContact O-N 2.97Å; S121-T123 WeakPolarHBondContact CB-O 3.47Å; S121-T123 PolarHBondContact O-N 3.4Å; S121-T123 PolarHBondContact OG-O 2.96Å; S121-D128 PolarHBondContact OG-OD2 3.49Å; S121-D128 VanDerWaalsContact OG-OD2 3.09Å
122	H	45.6	Very low	72.5	Confident	174 Å²	174	80.8 Å²	80.8	81%	0.806	41%	0.405	S	S	*	.	S	Bend	trans	-61.1	-19.3	167.7	-70.8	-59.5	0	0	0	112	Q120	Q120-H122 PolarHBondContact O-N 3.14Å
123	T	47.8	Very low	72.4	Confident	82 Å²	82	82.5 Å²	82.5	50%	0.503	42%	0.415	S	S	.	.	S	Bend	trans	-95.5	110.9	168.5	48.4	0	0	0	0	108.9	S121 N125	S121-T123 WeakPolarHBondContact CB-O 3.47Å; S121-T123 PolarHBondContact O-N 3.4Å; S121-T123 PolarHBondContact OG-O 2.96Å; T123-N125 PolarHBondContact O-N 3.35Å
124	R	58.4	Low	72.5	Confident	112 Å²	112	82 Å²	82	42%	0.423	42%	0.423	S	S	.	.			trans	-67.4	89	170.6	-61.4	174.6	175.8	175.8	-3.1	108.1
125	N	61.3	Low	72.8	Confident	77 Å²	77	80.8 Å²	80.8	41%	0.412	41%	0.412	S	S	.	.			trans	-67	133.7	179.4	-160.1	-4.4	0	0	0	108.3	T123 T127 D128	T123-N125 PolarHBondContact O-N 3.35Å; N125-T127 PolarHBondContact ND2-OG1 2.95Å; N125-T127 PolarHBondContact O-N 3.18Å; N125-T127 VanDerWaalsContact O-N 3.12Å; N125-D128 WeakPolarHBondContact O-CB 3.44Å; N125-D128 PolarHBondContact O-N 3.16Å
126	P	62.7	Low	73.1	Confident	58 Å²	58	78.5 Å²	78.5	38%	0.377	40%	0.398	S	S	.	.	H	α-helix	trans	-52.7	-30.4	175.3	-31.4	37.8	0	0	0	113.7	D128 R129 R130 V290	P126-D128 PolarHBondContact O-N 2.95Å; P126-R129 PolarHBondContact O-N 2.65Å; P126-R130 PolarHBondContact O-N 2.78Å; P126-V290 HydrophobicContact CG-CG2 3.69Å
127	T	66	Low	73.4	Confident	78 Å²	78	79.2 Å²	79.2	48%	0.479	40%	0.395	S	S	.	.	H	α-helix	trans	-60.6	-42.2	175.9	54.1	0	0	0	0	112.5	N125 R129 R130 V131	N125-T127 PolarHBondContact ND2-OG1 2.95Å; N125-T127 PolarHBondContact O-N 3.18Å; N125-T127 VanDerWaalsContact O-N 3.12Å; T127-R129 PolarHBondContact O-N 3.07Å; T127-R130 PolarHBondContact O-N 2.93Å; T127-R130 VanDerWaalsContact O-N 3.13Å; T127-V131 WeakPolarHBondContact O-CG2 3.19Å; T127-V131 PolarHBondContact O-N 3.35Å
128	D	73.1	Confident	74	Confident	32 Å²	32	81.1 Å²	81.1	17%	0.171	41%	0.405	C	S	.	.	H	α-helix	trans	-62.5	-34.3	-177.2	-61.3	-5.4	0	0	0	111.1	V117 S121 N125 P126	V117-D128 HydrophobicContact CG1-CB 3.89Å; V117-D128 HydrophobicContact CG2-CB 4.16Å; S121-D128 PolarHBondContact OG-OD2 3.49Å; S121-D128 VanDerWaalsContact OG-OD2 3.09Å; N125-D128 WeakPolarHBondContact O-CB 3.44Å; N125-D128 PolarHBondContact O-N 3.16Å; P126-D128 PolarHBondContact O-N 2.95Å
129	R	75.3	Confident	75.4	Confident	36 Å²	36	76.8 Å²	76.8	14%	0.136	38%	0.377	C	S	.	.	H	α-helix	trans	-68.6	-40.3	179	-65.3	171.9	56.8	-171.5	1.3	111.6	P126 T127 T132 D294	P126-R129 PolarHBondContact O-N 2.65Å; T127-R129 PolarHBondContact O-N 3.07Å; R129-T132 PolarHBondContact O-N 3.1Å; R129-T132 PolarHBondContact O-OG1 2.98Å; R129-D294 IonicContact CZ-OD2 3.16Å; R129-D294 IonicContact NH1-OD1 3.77Å; R129-D294 IonicContact NH1-OD2 2.69Å; R129-D294 PolarHBondContact NH1-OD2 2.86Å; R129-D294 IonicContact NH2-OD2 2.71Å; R129-D294 PolarHBondContact NH2-OD2 3.31Å
130	R	79.7	Confident	77.1	Confident	168 Å²	168	65.8 Å²	65.8	63%	0.634	34%	0.336	S	S	*	.	H	α-helix	trans	-67.6	-36.1	-179.7	-69.1	-171.8	175.7	-132.9	-3.6	112.2	P126 T127 T132 L133	P126-R130 PolarHBondContact O-N 2.78Å; T127-R130 PolarHBondContact O-N 2.93Å; T127-R130 VanDerWaalsContact O-N 3.13Å; R130-T132 PolarHBondContact O-N 2.78Å; R130-L133 HydrophobicContact CB-CD1 4.34Å; R130-L133 HydrophobicContact CG-CD1 4.34Å; R130-L133 WeakPolarHBondContact O-CB 3.48Å; R130-L133 WeakPolarHBondContact O-CG 3.35Å; R130-L133 PolarHBondContact O-N 2.89Å
131	V	86.8	Confident	79.4	Confident	110 Å²	110	60.9 Å²	60.9	67%	0.667	31%	0.31	S	S	*	.	H	α-helix	trans	-60	-34.6	176.7	175.7	0	0	0	0	111.7	T127 L133	T127-V131 WeakPolarHBondContact O-CG2 3.19Å; T127-V131 PolarHBondContact O-N 3.35Å; V131-L133 VanDerWaalsContact C-N 3.32Å; V131-L133 PolarHBondContact O-N 2.97Å
132	T	91.8	Very high	81.7	Confident	2 Å²	2	60 Å²	60	1%	0.012	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-6.6	-178.4	65.2	0	0	0	0	114.9	Y113 L116 V117 R129 R130 G134 S136	Y113-T132 HydrophobicContact CD2-CG2 4.28Å; L116-T132 HydrophobicContact CB-CG2 4.16Å; L116-T132 HydrophobicContact CD1-CG2 4.46Å; V117-T132 HydrophobicContact CG2-CG2 3.71Å; R129-T132 PolarHBondContact O-N 3.1Å; R129-T132 PolarHBondContact O-OG1 2.98Å; R130-T132 PolarHBondContact O-N 2.78Å; T132-G134 PolarHBondContact O-N 3.19Å; T132-S136 VanDerWaalsContact O-CB 3.22Å; T132-S136 WeakPolarHBondContact O-CB 3.26Å; T132-S136 PolarHBondContact O-N 3.26Å; T132-S136 PolarHBondContact O-OG 3.42Å
133	L	93.4	Very high	84.3	Confident	37 Å²	37	51.7 Å²	51.7	19%	0.194	27%	0.265	C	S	.	.	H	α-helix	trans	-65.8	-40.9	-170.6	-69	176	0	0	0	113.2	R130 V131 S136 R137 D231	R130-L133 HydrophobicContact CB-CD1 4.34Å; R130-L133 HydrophobicContact CG-CD1 4.34Å; R130-L133 WeakPolarHBondContact O-CB 3.48Å; R130-L133 WeakPolarHBondContact O-CG 3.35Å; R130-L133 PolarHBondContact O-N 2.89Å; V131-L133 VanDerWaalsContact C-N 3.32Å; V131-L133 PolarHBondContact O-N 2.97Å; L133-S136 PolarHBondContact O-N 3.5Å; L133-R137 WeakPolarHBondContact O-CB 3.31Å; L133-R137 PolarHBondContact O-N 3.24Å; L133-D231 HydrophobicContact CD1-CB 4.39Å; L133-D231 HydrophobicContact CD2-CB 4.19Å
134	G	95.1	Very high	86.7	Confident	33 Å²	33	47.8 Å²	47.8	34%	0.34	24%	0.241	S	C	.	.	H	α-helix	trans	-60	-55.9	177.8	0	0	0	0	0	111.8	T132 S136 R137 D138	T132-G134 PolarHBondContact O-N 3.19Å; G134-S136 VanDerWaalsContact C-N 3.28Å; G134-S136 PolarHBondContact O-N 3.04Å; G134-R137 WeakPolarHBondContact O-CB 3.36Å; G134-R137 PolarHBondContact O-N 2.81Å; G134-D138 PolarHBondContact O-N 2.88Å
135	A	96.2	Very high	88.5	Confident	18 Å²	18	45.1 Å²	45.1	15%	0.149	25%	0.248	C	C	.	.	H	α-helix	trans	-59.7	-37.1	176.4	0	0	0	0	0	112.7	V112 L116 D138 L139 Y154	V112-A135 HydrophobicContact CG1-CB 3.66Å; L116-A135 HydrophobicContact CD1-CB 3.75Å; A135-D138 PolarHBondContact O-N 3.31Å; A135-L139 WeakPolarHBondContact O-CB 3.11Å; A135-L139 PolarHBondContact O-N 3.37Å; A135-Y154 HydrophobicContact CB-CE1 4.4Å
136	S	96.8	Very high	90.2	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.028	23%	0.229	C	C	.	.	H	α-helix	trans	-65.5	-43.2	176.9	-64	0	0	0	0	112.3	T132 L133 G134 L140	T132-S136 VanDerWaalsContact O-CB 3.22Å; T132-S136 WeakPolarHBondContact O-CB 3.26Å; T132-S136 PolarHBondContact O-N 3.26Å; T132-S136 PolarHBondContact O-OG 3.42Å; L133-S136 PolarHBondContact O-N 3.5Å; G134-S136 VanDerWaalsContact C-N 3.28Å; G134-S136 PolarHBondContact O-N 3.04Å; S136-L140 WeakPolarHBondContact O-CB 3.41Å; S136-L140 VanDerWaalsContact O-CG 3.27Å; S136-L140 WeakPolarHBondContact O-CG 3.14Å; S136-L140 PolarHBondContact O-N 3.18Å
137	R	97.1	Very high	91.8	Very high	95 Å²	95	41.8 Å²	41.8	36%	0.358	23%	0.227	S	C	.	.	H	α-helix	trans	-60.8	-46.1	175.8	178.3	-160.9	67.1	-158.6	-5.7	110.9	L133 G134 L140 R141	L133-R137 WeakPolarHBondContact O-CB 3.31Å; L133-R137 PolarHBondContact O-N 3.24Å; G134-R137 WeakPolarHBondContact O-CB 3.36Å; G134-R137 PolarHBondContact O-N 2.81Å; R137-L140 PolarHBondContact O-N 3.25Å; R137-R141 WeakPolarHBondContact O-CB 3.47Å; R137-R141 PolarHBondContact O-N 3.13Å
138	D	97.4	Very high	93.3	Very high	54 Å²	54	38.1 Å²	38.1	29%	0.289	21%	0.205	S	C	.	.	H	α-helix	trans	-68.6	-41.1	-176.2	-61.9	-19.8	0	0	0	111.1	G134 A135 R141 S142 F150	G134-D138 PolarHBondContact O-N 2.88Å; A135-D138 PolarHBondContact O-N 3.31Å; D138-R141 PolarHBondContact O-N 3.09Å; D138-R141 IonicContact OD1-NH1 2.61Å; D138-R141 PolarHBondContact OD1-NH1 3.41Å; D138-S142 PolarHBondContact O-N 2.72Å; D138-F150 HydrophobicContact CB-CZ 4.28Å
139	L	98.4	Very high	94.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-46.3	171.6	175.5	61.5	0	0	0	112	L109 V112 A135 R141 S142 L143 F150 L151 Y154	L109-L139 HydrophobicContact CD2-CB 4.49Å; L109-L139 HydrophobicContact CD2-CD2 3.94Å; L109-L139 HydrophobicContact CD2-CG 4.43Å; V112-L139 HydrophobicContact CG2-CB 4.35Å; V112-L139 HydrophobicContact CG2-CD2 3.41Å; V112-L139 VanDerWaalsContact CG2-CD2 3.41Å; A135-L139 WeakPolarHBondContact O-CB 3.11Å; A135-L139 PolarHBondContact O-N 3.37Å; L139-R141 VanDerWaalsContact C-N 3.32Å; L139-R141 PolarHBondContact O-N 2.72Å; L139-S142 PolarHBondContact O-N 2.82Å; L139-L143 HydrophobicContact CD1-CD1 3.76Å; L139-L143 HydrophobicContact CD1-CD2 4.3Å; L139-L143 HydrophobicContact CD1-CG 3.76Å; L139-L143 HydrophobicContact CD2-CD1 4.48Å; L139-L143 HydrophobicContact CG-CD1 3.84Å; L139-L143 HydrophobicContact CG-CG 4.25Å; L139-L143 WeakPolarHBondContact O-CB 3.1Å; L139-L143 VanDerWaalsContact O-CG 3.27Å; L139-L143 WeakPolarHBondContact O-CG 3.02Å; L139-L143 PolarHBondContact O-N 2.78Å; L139-F150 HydrophobicContact CB-CD1 4.05Å; L139-F150 HydrophobicContact CB-CE1 4.08Å; L139-F150 HydrophobicContact CD1-CB 4.44Å; L139-F150 HydrophobicContact CD1-CD1 3.67Å; L139-F150 HydrophobicContact CG-CD1 4.47Å; L139-L151 HydrophobicContact CD1-CD2 3.66Å; L139-L151 HydrophobicContact CD1-CG 3.87Å; L139-L151 HydrophobicContact CD2-CD2 3.82Å; L139-L151 HydrophobicContact CG-CD2 4.35Å; L139-Y154 HydrophobicContact CB-CE2 4.46Å; L139-Y154 HydrophobicContact CD2-CD2 4.35Å
140	L	98.4	Very high	95.5	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-42.9	177.8	-75.2	173.1	0	0	0	111.9	L80 L109 S136 R137 L143 Y144 I221 V223 L232 L235	L80-L140 HydrophobicContact CD1-CD1 4.26Å; L80-L140 HydrophobicContact CD1-CD2 4.14Å; L109-L140 HydrophobicContact CD1-CD1 4.27Å; L109-L140 HydrophobicContact CD2-CD2 4.44Å; L109-L140 HydrophobicContact CD2-CG 4.12Å; S136-L140 WeakPolarHBondContact O-CB 3.41Å; S136-L140 VanDerWaalsContact O-CG 3.27Å; S136-L140 WeakPolarHBondContact O-CG 3.14Å; S136-L140 PolarHBondContact O-N 3.18Å; R137-L140 PolarHBondContact O-N 3.25Å; L140-L143 PolarHBondContact O-N 2.91Å; L140-Y144 HydrophobicContact CB-CE2 4.41Å; L140-Y144 WeakPolarHBondContact O-CD2 3.48Å; L140-Y144 PolarHBondContact O-N 2.73Å; L140-I221 HydrophobicContact CD2-CB 4.4Å; L140-I221 HydrophobicContact CD2-CD1 4.09Å; L140-I221 HydrophobicContact CD2-CG2 3.75Å; L140-V223 HydrophobicContact CD2-CG1 4.08Å; L140-L232 HydrophobicContact CD1-CD2 4.29Å; L140-L235 HydrophobicContact CB-CD2 3.89Å; L140-L235 HydrophobicContact CD1-CD2 3.99Å
141	R	97.6	Very high	96.3	Very high	72 Å²	72	33.4 Å²	33.4	27%	0.272	19%	0.187	S	C	.	.	H	α-helix	trans	-59.7	-47.1	177.4	-179.2	-173.6	-75.5	136	-2	111.5	R137 D138 L139 G145 L235 D238 R240	R137-R141 WeakPolarHBondContact O-CB 3.47Å; R137-R141 PolarHBondContact O-N 3.13Å; D138-R141 PolarHBondContact O-N 3.09Å; D138-R141 IonicContact OD1-NH1 2.61Å; D138-R141 PolarHBondContact OD1-NH1 3.41Å; L139-R141 VanDerWaalsContact C-N 3.32Å; L139-R141 PolarHBondContact O-N 2.72Å; R141-G145 PolarHBondContact O-N 2.82Å; R141-L235 HydrophobicContact CB-CD1 3.96Å; R141-D238 IonicContact CZ-OD2 2.89Å; R141-D238 IonicContact NE-OD2 3.31Å; R141-D238 PolarHBondContact NE-OD2 2.82Å; R141-D238 IonicContact NH2-OD2 3.78Å; R141-D238 PolarHBondContact NH2-OD2 3.12Å; R141-R240 VanDerWaalsContact NE-NH2 3.18Å
142	S	97.9	Very high	96.8	Very high	16 Å²	16	29.4 Å²	29.4	11%	0.112	16%	0.161	C	C	.	.	H	α-helix	trans	-63.1	-47	178.2	163.6	0	0	0	0	111.5	D138 L139 Y144 G145 C146 D147 F150	D138-S142 PolarHBondContact O-N 2.72Å; L139-S142 PolarHBondContact O-N 2.82Å; S142-Y144 VanDerWaalsContact C-N 3.34Å; S142-Y144 PolarHBondContact O-N 3.22Å; S142-G145 CarbonylContact O-C 3.52Å; S142-G145 WeakPolarHBondContact O-CA 3.42Å; S142-G145 PolarHBondContact O-N 3.12Å; S142-C146 PolarHBondContact O-N 3.01Å; S142-D147 PolarHBondContact O-N 3.43Å; S142-D147 VanDerWaalsContact O-N 3.09Å; S142-D147 VanDerWaalsContact OG-CB 3.31Å; S142-D147 WeakPolarHBondContact OG-CB 3.47Å; S142-D147 PolarHBondContact OG-O 3.36Å; S142-D147 PolarHBondContact OG-OD2 2.7Å; S142-F150 WeakPolarHBondContact OG-CB 3.46Å
143	L	98.4	Very high	97	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.3	-35.1	179.1	-70.1	177.9	0	0	0	113.9	L105 P108 L139 L140 G145 C146 L148 L151 I221	L105-L143 HydrophobicContact CD1-CB 4.47Å; L105-L143 HydrophobicContact CD1-CD1 4.06Å; L105-L143 HydrophobicContact CD1-CD2 4.05Å; L105-L143 HydrophobicContact CD1-CG 4.44Å; P108-L143 HydrophobicContact CB-CD1 3.53Å; P108-L143 HydrophobicContact CG-CD1 3.64Å; L139-L143 HydrophobicContact CD1-CD1 3.76Å; L139-L143 HydrophobicContact CD1-CD2 4.3Å; L139-L143 HydrophobicContact CD1-CG 3.76Å; L139-L143 HydrophobicContact CD2-CD1 4.48Å; L139-L143 HydrophobicContact CG-CD1 3.84Å; L139-L143 HydrophobicContact CG-CG 4.25Å; L139-L143 WeakPolarHBondContact O-CB 3.1Å; L139-L143 VanDerWaalsContact O-CG 3.27Å; L139-L143 WeakPolarHBondContact O-CG 3.02Å; L139-L143 PolarHBondContact O-N 2.78Å; L140-L143 PolarHBondContact O-N 2.91Å; L143-G145 PolarHBondContact O-N 2.64Å; L143-C146 WeakPolarHBondContact O-CA 3.31Å; L143-C146 PolarHBondContact O-N 3Å; L143-L148 HydrophobicContact CD2-CD1 4.33Å; L143-L148 HydrophobicContact CD2-CG 4.04Å; L143-L151 HydrophobicContact CD1-CD2 4.49Å; L143-L151 HydrophobicContact CD2-CD1 3.78Å; L143-L151 HydrophobicContact CD2-CG 4Å; L143-I221 HydrophobicContact CB-CD1 3.66Å; L143-I221 HydrophobicContact CD1-CD1 4.26Å
144	Y	98.1	Very high	97.1	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-67.6	-27.2	173.6	-78.8	-49.9	0	0	0	112.8	H78 I79 L80 L140 S142 C146 V219 I221 L235 L241 I243	H78-Y144 HydrophobicContact CB-CD1 3.51Å; H78-Y144 HydrophobicContact CB-CD2 4.45Å; H78-Y144 HydrophobicContact CB-CE1 3.72Å; H78-Y144 HydrophobicContact CB-CG 3.92Å; H78-Y144 AromaticContact CD2-CD1 3.61Å; H78-Y144 AromaticContact CD2-CG 3.82Å; H78-Y144 PolarHBondContact CD2-O 2.96Å; H78-Y144 AromaticContact CG-CD1 3.84Å; H78-Y144 PolarHBondContact NE2-O 3.02Å; I79-Y144 PolarHBondContact O-OH 3.45Å; I79-Y144 VanDerWaalsContact O-OH 3.14Å; L80-Y144 VanDerWaalsContact CA-OH 3.27Å; L80-Y144 WeakPolarHBondContact CA-OH 3.47Å; L80-Y144 VanDerWaalsContact CB-OH 3.25Å; L80-Y144 WeakPolarHBondContact CB-OH 3.46Å; L80-Y144 WeakPolarHBondContact CD1-OH 3.41Å; L80-Y144 PolarHBondContact N-OH 3.18Å; L140-Y144 HydrophobicContact CB-CE2 4.41Å; L140-Y144 WeakPolarHBondContact O-CD2 3.48Å; L140-Y144 PolarHBondContact O-N 2.73Å; S142-Y144 VanDerWaalsContact C-N 3.34Å; S142-Y144 PolarHBondContact O-N 3.22Å; Y144-C146 PolarHBondContact O-N 3.34Å; Y144-V219 HydrophobicContact CD1-CB 4.07Å; Y144-V219 HydrophobicContact CD1-CG1 3.71Å; Y144-V219 HydrophobicContact CE1-CG1 4.08Å; Y144-I221 HydrophobicContact CD1-CD1 3.9Å; Y144-I221 HydrophobicContact CD1-CG1 4.34Å; Y144-I221 HydrophobicContact CD2-CD1 4.42Å; Y144-I221 HydrophobicContact CE1-CB 4.23Å; Y144-I221 HydrophobicContact CE1-CD1 3.68Å; Y144-I221 HydrophobicContact CE1-CG1 3.76Å; Y144-I221 HydrophobicContact CE2-CD1 4.23Å; Y144-I221 HydrophobicContact CG-CD1 4.26Å; Y144-L235 HydrophobicContact CD2-CD2 4.47Å; Y144-L235 HydrophobicContact CE2-CD2 4.06Å; Y144-L241 HydrophobicContact CD2-CD1 4.41Å; Y144-I243 HydrophobicContact CD2-CD1 4.49Å; Y144-I243 HydrophobicContact CE2-CD1 3.79Å
145	G	96.4	Very high	97.2	Very high	56 Å²	56	32.1 Å²	32.1	58%	0.577	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	6.6	167.6	0	0	0	0	0	114.4	R141 S142 L143 D147	R141-G145 PolarHBondContact O-N 2.82Å; S142-G145 CarbonylContact O-C 3.52Å; S142-G145 WeakPolarHBondContact O-CA 3.42Å; S142-G145 PolarHBondContact O-N 3.12Å; L143-G145 PolarHBondContact O-N 2.64Å; G145-D147 PolarHBondContact O-N 2.87Å
146	C	97.8	Very high	97	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.014	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	19.6	-173.3	-66.5	0	0	0	0	115.1	K76 S142 L143 Y144 L148 T210 C213 Q214	K76-C146 PolarHBondContact NZ-SG 3.29Å; K76-C146 VanDerWaalsContact NZ-SG 3.45Å; S142-C146 PolarHBondContact O-N 3.01Å; L143-C146 WeakPolarHBondContact O-CA 3.31Å; L143-C146 PolarHBondContact O-N 3Å; Y144-C146 PolarHBondContact O-N 3.34Å; C146-L148 WeakPolarHBondContact O-CD1 3.3Å; C146-L148 PolarHBondContact O-N 2.96Å; C146-T210 WeakPolarHBondContact O-CG2 3.33Å; C146-C213 WeakPolarHBondContact CA-SG 3.42Å; C146-C213 HydrophobicContact CB-CB 3.61Å; C146-C213 WeakPolarHBondContact CB-SG 3.05Å; C146-C213 WeakPolarHBondContact SG-CB 3.19Å; C146-C213 PolarHBondContact SG-O 2.81Å; C146-C213 CovalentContact SG-SG 2.05Å; C146-C213 PolarHBondContact SG-SG 2.99Å; C146-Q214 HydrophobicContact CB-CG 3.79Å
147	D	97.1	Very high	96.9	Very high	63 Å²	63	40.8 Å²	40.8	34%	0.337	21%	0.209	S	C	.	.			trans	-82.8	90.9	170.1	168.1	27	0	0	0	109.3	S142 G145 Y149	S142-D147 PolarHBondContact O-N 3.43Å; S142-D147 VanDerWaalsContact O-N 3.09Å; S142-D147 VanDerWaalsContact OG-CB 3.31Å; S142-D147 WeakPolarHBondContact OG-CB 3.47Å; S142-D147 PolarHBondContact OG-O 3.36Å; S142-D147 PolarHBondContact OG-OD2 2.7Å; G145-D147 PolarHBondContact O-N 2.87Å; D147-Y149 WeakPolarHBondContact OD1-CB 3.5Å; D147-Y149 PolarHBondContact OD1-N 3.34Å
148	L	97.4	Very high	96.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.			trans	-80.1	-19	179.8	-83.3	69.4	0	0	0	112.2	F103 L143 C146 F150 L151 M206 A209 C213	F103-L148 HydrophobicContact CE1-CD2 4.5Å; F103-L148 HydrophobicContact CZ-CD2 4.11Å; L143-L148 HydrophobicContact CD2-CD1 4.33Å; L143-L148 HydrophobicContact CD2-CG 4.04Å; C146-L148 WeakPolarHBondContact O-CD1 3.3Å; C146-L148 PolarHBondContact O-N 2.96Å; L148-F150 PolarHBondContact O-N 2.78Å; L148-F150 VanDerWaalsContact O-N 3.14Å; L148-L151 VanDerWaalsContact O-CB 3.32Å; L148-L151 WeakPolarHBondContact O-CB 3.22Å; L148-L151 PolarHBondContact O-N 3.48Å; L148-M206 HydrophobicContact CB-CE 3.83Å; L148-M206 WeakPolarHBondContact O-CE 3.24Å; L148-A209 HydrophobicContact CD2-CB 3.58Å; L148-C213 HydrophobicContact CD1-CB 4.14Å
149	Y	97.2	Very high	96.7	Very high	78 Å²	78	38.5 Å²	38.5	31%	0.306	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-58.5	-28.8	178.9	-59.5	-76.4	0	0	0	112.3	D147 L151 E152 H162 M206 T207 T210	D147-Y149 WeakPolarHBondContact OD1-CB 3.5Å; D147-Y149 PolarHBondContact OD1-N 3.34Å; Y149-L151 PolarHBondContact O-N 3.29Å; Y149-L151 VanDerWaalsContact O-N 3.08Å; Y149-E152 VanDerWaalsContact O-CB 3.25Å; Y149-E152 WeakPolarHBondContact O-CB 3.39Å; Y149-E152 VanDerWaalsContact O-CG 3.24Å; Y149-E152 WeakPolarHBondContact O-CG 3.33Å; Y149-E152 PolarHBondContact O-N 2.92Å; Y149-H162 HydrophobicContact CD1-CB 4.42Å; Y149-H162 AromaticContact CD1-CE1 3.81Å; Y149-H162 AromaticContact CD1-CG 3.89Å; Y149-H162 AromaticContact CD1-ND1 3.46Å; Y149-H162 WeakPolarHBondContact CD1-ND1 3.23Å; Y149-H162 HydrophobicContact CE1-CB 4.03Å; Y149-H162 AromaticContact CE1-CD2 3.9Å; Y149-H162 AromaticContact CE1-CE1 3.96Å; Y149-H162 AromaticContact CE1-CG 3.59Å; Y149-H162 AromaticContact CE1-ND1 3.65Å; Y149-M206 HydrophobicContact CD1-CB 4.38Å; Y149-M206 HydrophobicContact CE1-CB 4.41Å; Y149-T207 WeakPolarHBondContact OH-CA 3.4Å; Y149-T207 VanDerWaalsContact OH-CB 3.3Å; Y149-T207 WeakPolarHBondContact OH-CB 3.45Å; Y149-T207 WeakPolarHBondContact OH-CG2 3.33Å; Y149-T207 PolarHBondContact OH-OG1 3.25Å; Y149-T210 HydrophobicContact CE2-CG2 4.39Å
150	F	96.9	Very high	96.5	Very high	58 Å²	58	43.3 Å²	43.3	25%	0.254	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-58.6	-24.4	176.3	-158.7	-90.4	0	0	0	113.7	D138 L139 S142 L148 E152 N153 Y154	D138-F150 HydrophobicContact CB-CZ 4.28Å; L139-F150 HydrophobicContact CB-CD1 4.05Å; L139-F150 HydrophobicContact CB-CE1 4.08Å; L139-F150 HydrophobicContact CD1-CB 4.44Å; L139-F150 HydrophobicContact CD1-CD1 3.67Å; L139-F150 HydrophobicContact CG-CD1 4.47Å; S142-F150 WeakPolarHBondContact OG-CB 3.46Å; L148-F150 PolarHBondContact O-N 2.78Å; L148-F150 VanDerWaalsContact O-N 3.14Å; F150-E152 VanDerWaalsContact C-N 3.26Å; F150-E152 PolarHBondContact O-N 2.79Å; F150-N153 PolarHBondContact O-ND2 3.42Å; F150-Y154 AromaticContact CD1-CE2 3.97Å; F150-Y154 HydrophobicContact CD1-CE2 3.97Å; F150-Y154 AromaticContact CE1-CE2 3.71Å; F150-Y154 HydrophobicContact CE1-CE2 3.71Å
151	L	97	Very high	96.3	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-66	-26.3	173.7	-76.6	165.2	0	0	0	113.2	P108 L139 L143 L148 Y149 N153 Y154 I155 L167 M206	P108-L151 HydrophobicContact CB-CD2 4.14Å; L139-L151 HydrophobicContact CD1-CD2 3.66Å; L139-L151 HydrophobicContact CD1-CG 3.87Å; L139-L151 HydrophobicContact CD2-CD2 3.82Å; L139-L151 HydrophobicContact CG-CD2 4.35Å; L143-L151 HydrophobicContact CD1-CD2 4.49Å; L143-L151 HydrophobicContact CD2-CD1 3.78Å; L143-L151 HydrophobicContact CD2-CG 4Å; L148-L151 VanDerWaalsContact O-CB 3.32Å; L148-L151 WeakPolarHBondContact O-CB 3.22Å; L148-L151 PolarHBondContact O-N 3.48Å; Y149-L151 PolarHBondContact O-N 3.29Å; Y149-L151 VanDerWaalsContact O-N 3.08Å; L151-N153 PolarHBondContact O-N 3.44Å; L151-N153 VanDerWaalsContact O-N 3.17Å; L151-Y154 PolarHBondContact O-N 3.41Å; L151-I155 HydrophobicContact CB-CD1 3.92Å; L151-I155 HydrophobicContact CB-CG1 4.42Å; L151-I155 WeakPolarHBondContact O-CG1 3.3Å; L151-I155 PolarHBondContact O-N 3.22Å; L151-L167 HydrophobicContact CD1-CD1 3.97Å; L151-M206 HydrophobicContact CB-CE 3.84Å; L151-M206 HydrophobicContact CD1-CE 4.01Å
152	E	96.5	Very high	96.3	Very high	27 Å²	27	50.7 Å²	50.7	13%	0.126	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-60.9	-27.8	-177.3	-59	-173.9	-178.6	0	0	112.1	Y149 F150 Y154 P159 H162	Y149-E152 VanDerWaalsContact O-CB 3.25Å; Y149-E152 WeakPolarHBondContact O-CB 3.39Å; Y149-E152 VanDerWaalsContact O-CG 3.24Å; Y149-E152 WeakPolarHBondContact O-CG 3.33Å; Y149-E152 PolarHBondContact O-N 2.92Å; F150-E152 VanDerWaalsContact C-N 3.26Å; F150-E152 PolarHBondContact O-N 2.79Å; E152-Y154 PolarHBondContact O-N 3.17Å; E152-P159 HydrophobicContact CB-CG 4.11Å; E152-P159 HydrophobicContact CG-CB 4.11Å; E152-P159 HydrophobicContact CG-CG 3.9Å; E152-H162 VanDerWaalsContact CD-ND1 3.33Å; E152-H162 WeakPolarHBondContact OE1-CA 3.3Å; E152-H162 WeakPolarHBondContact OE1-CB 3.46Å; E152-H162 IonicContact OE1-CE1 3.15Å; E152-H162 IonicContact OE1-CG 3.69Å; E152-H162 IonicContact OE1-ND1 2.76Å; E152-H162 PolarHBondContact OE1-ND1 3.21Å; E152-H162 IonicContact OE2-CE1 3.95Å; E152-H162 IonicContact OE2-ND1 3.79Å; E152-H162 PolarHBondContact OE2-ND1 3.01Å; E152-H162 VanDerWaalsContact OE2-ND1 3.11Å
153	N	96.1	Very high	96.2	Very high	97 Å²	97	51.9 Å²	51.9	52%	0.519	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-61.5	-26.2	173.6	-64.9	-47.2	0	0	0	113.2	F150 L151	F150-N153 PolarHBondContact O-ND2 3.42Å; L151-N153 PolarHBondContact O-N 3.44Å; L151-N153 VanDerWaalsContact O-N 3.17Å
154	Y	96.3	Very high	96.1	Very high	32 Å²	32	52.3 Å²	52.3	13%	0.125	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-16	-172.6	-55.6	-71.2	0	0	0	114	V112 T115 A135 L139 F150 L151 E152	V112-Y154 HydrophobicContact CB-CD1 4.42Å; V112-Y154 HydrophobicContact CG1-CE1 4.46Å; V112-Y154 HydrophobicContact CG2-CD1 4.08Å; V112-Y154 HydrophobicContact CG2-CD2 3.97Å; V112-Y154 HydrophobicContact CG2-CE1 4.15Å; V112-Y154 HydrophobicContact CG2-CE2 4.04Å; V112-Y154 HydrophobicContact CG2-CG 3.98Å; T115-Y154 HydrophobicContact CG2-CD1 4.42Å; T115-Y154 PolarHBondContact OG1-O 3.13Å; A135-Y154 HydrophobicContact CB-CE1 4.4Å; L139-Y154 HydrophobicContact CB-CE2 4.46Å; L139-Y154 HydrophobicContact CD2-CD2 4.35Å; F150-Y154 AromaticContact CD1-CE2 3.97Å; F150-Y154 HydrophobicContact CD1-CE2 3.97Å; F150-Y154 AromaticContact CE1-CE2 3.71Å; F150-Y154 HydrophobicContact CE1-CE2 3.71Å; L151-Y154 PolarHBondContact O-N 3.41Å; E152-Y154 PolarHBondContact O-N 3.17Å
155	I	95.9	Very high	95.9	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.311	C	S	.	.	S	Bend	trans	-76.5	135.1	176.9	-67.8	172.7	0	0	0	109.4	L151 P157 P159 T164 K166 L167	L151-I155 HydrophobicContact CB-CD1 3.92Å; L151-I155 HydrophobicContact CB-CG1 4.42Å; L151-I155 WeakPolarHBondContact O-CG1 3.3Å; L151-I155 PolarHBondContact O-N 3.22Å; I155-P157 CarbonylContact C-O 3.52Å; I155-P157 CarbonylContact O-C 3.48Å; I155-P159 HydrophobicContact CB-CG 4.15Å; I155-P159 HydrophobicContact CG2-CG 4.05Å; I155-T164 HydrophobicContact CD1-CG2 4.19Å; I155-K166 HydrophobicContact CG2-CB 3.89Å; I155-L167 HydrophobicContact CD1-CD1 4.04Å
156	K	92.9	Very high	95.8	Very high	113 Å²	113	58.4 Å²	58.4	49%	0.491	30%	0.304	S	S	.	.	S	Bend	trans	-126	129.4	178.7	-62.1	-61.5	175.5	-154.9	0	111.5
157	P	93.9	Very high	95.7	Very high	91 Å²	91	59 Å²	59	59%	0.591	31%	0.307	S	S	*	.	S	Bend	cis	-60.6	157.7	-7.4	27.7	-36.9	0	0	0	112.7	I155	I155-P157 CarbonylContact C-O 3.52Å; I155-P157 CarbonylContact O-C 3.48Å
158	T	94.4	Very high	95.6	Very high	86 Å²	86	59 Å²	59	53%	0.528	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-57.7	130.5	178.2	-55.6	0	0	0	0	109.1
159	P	96.1	Very high	95.4	Very high	14 Å²	14	61.7 Å²	61.7	9%	0.091	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-55.2	140.7	176.8	-31.3	41.5	0	0	0	112.6	E152 I155 T163 T164	E152-P159 HydrophobicContact CB-CG 4.11Å; E152-P159 HydrophobicContact CG-CB 4.11Å; E152-P159 HydrophobicContact CG-CG 3.9Å; I155-P159 HydrophobicContact CB-CG 4.15Å; I155-P159 HydrophobicContact CG2-CG 4.05Å; P159-T163 WeakPolarHBondContact CA-O 3.44Å; P159-T163 WeakPolarHBondContact CB-O 3.29Å; P159-T164 HydrophobicContact CG-CG2 4.45Å
160	T	94.2	Very high	95.2	Very high	102 Å²	102	58.8 Å²	58.8	63%	0.626	30%	0.302	S	S	*	.	B	Isolated β-bridge	trans	-109.9	136.1	173.1	52.2	0	0	0	0	108.9	H162 T163	T160-H162 PolarHBondContact O-N 3.35Å; T160-H162 VanDerWaalsContact O-N 3.13Å; T160-T163 PolarHBondContact O-N 3.39Å; T160-T163 PolarHBondContact O-OG1 3.18Å
161	N	94.8	Very high	95.1	Very high	149 Å²	149	56.4 Å²	56.4	80%	0.797	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	37.9	-173.9	-59.7	-23.5	0	0	0	112.8	T163	N161-T163 PolarHBondContact O-N 2.97Å
162	H	96.3	Very high	94.9	Very high	79 Å²	79	56.5 Å²	56.5	37%	0.366	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	26.6	-176.8	-52.3	-57.1	0	0	0	114.5	Y149 E152 T160 M206	Y149-H162 HydrophobicContact CD1-CB 4.42Å; Y149-H162 AromaticContact CD1-CE1 3.81Å; Y149-H162 AromaticContact CD1-CG 3.89Å; Y149-H162 AromaticContact CD1-ND1 3.46Å; Y149-H162 WeakPolarHBondContact CD1-ND1 3.23Å; Y149-H162 HydrophobicContact CE1-CB 4.03Å; Y149-H162 AromaticContact CE1-CD2 3.9Å; Y149-H162 AromaticContact CE1-CE1 3.96Å; Y149-H162 AromaticContact CE1-CG 3.59Å; Y149-H162 AromaticContact CE1-ND1 3.65Å; E152-H162 VanDerWaalsContact CD-ND1 3.33Å; E152-H162 WeakPolarHBondContact OE1-CA 3.3Å; E152-H162 WeakPolarHBondContact OE1-CB 3.46Å; E152-H162 IonicContact OE1-CE1 3.15Å; E152-H162 IonicContact OE1-CG 3.69Å; E152-H162 IonicContact OE1-ND1 2.76Å; E152-H162 PolarHBondContact OE1-ND1 3.21Å; E152-H162 IonicContact OE2-CE1 3.95Å; E152-H162 IonicContact OE2-ND1 3.79Å; E152-H162 PolarHBondContact OE2-ND1 3.01Å; E152-H162 VanDerWaalsContact OE2-ND1 3.11Å; T160-H162 PolarHBondContact O-N 3.35Å; T160-H162 VanDerWaalsContact O-N 3.13Å; H162-M206 HydrophobicContact CB-CB 4.2Å; H162-M206 WeakPolarHBondContact O-CB 3.32Å; H162-M206 VanDerWaalsContact O-CG 3.29Å; H162-M206 WeakPolarHBondContact O-CG 3.36Å; H162-M206 PolarHBondContact O-N 2.86Å
163	T	96.6	Very high	94.8	Very high	41 Å²	41	55.3 Å²	55.3	25%	0.252	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	141.2	178.4	65.7	0	0	0	0	112.9	P159 T160 N161 L204 N205	P159-T163 WeakPolarHBondContact CA-O 3.44Å; P159-T163 WeakPolarHBondContact CB-O 3.29Å; T160-T163 PolarHBondContact O-N 3.39Å; T160-T163 PolarHBondContact O-OG1 3.18Å; N161-T163 PolarHBondContact O-N 2.97Å; T163-L204 CarbonylContact C-O 3.58Å; T163-L204 VanDerWaalsContact CA-O 3.24Å; T163-L204 WeakPolarHBondContact CA-O 3.4Å; T163-N205 HydrophobicContact CG2-CB 4.41Å
164	T	95.6	Very high	94.7	Very high	8 Å²	8	53.1 Å²	53.1	5%	0.049	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	145.4	179	-170.6	0	0	0	0	113.7	I155 P159 K166 L167 L204 M206	I155-T164 HydrophobicContact CD1-CG2 4.19Å; P159-T164 HydrophobicContact CG-CG2 4.45Å; T164-K166 PolarHBondContact OG1-N 2.86Å; T164-L167 HydrophobicContact CG2-CB 4.43Å; T164-L204 HydrophobicContact CG2-CB 4.42Å; T164-L204 PolarHBondContact N-O 2.77Å; T164-L204 WeakPolarHBondContact O-CA 3.18Å; T164-L204 VanDerWaalsContact O-CB 3.23Å; T164-L204 WeakPolarHBondContact O-CB 3.26Å; T164-L204 PolarHBondContact O-N 3.04Å; T164-M206 HydrophobicContact CG2-SD 4.2Å
165	D	93.8	Very high	94.6	Very high	90 Å²	90	52 Å²	52	48%	0.481	27%	0.271	S	S	.	.	S	Bend	trans	-100.7	-0.6	166.7	70.9	-31.3	0	0	0	112.3	T203	D165-T203 HydrophobicContact CB-CG2 4.39Å
166	K	94.8	Very high	94.6	Very high	96 Å²	96	52.2 Å²	52.2	42%	0.417	27%	0.272	S	S	.	.			trans	-99.4	3.2	-170.2	-58.8	-44.8	-179.5	-155.8	0	115	H111 I155 T164 F168	H111-K166 PolarHBondContact CE1-O 3Å; H111-K166 VanDerWaalsContact CE1-O 3.3Å; I155-K166 HydrophobicContact CG2-CB 3.89Å; T164-K166 PolarHBondContact OG1-N 2.86Å; K166-F168 PolarHBondContact O-N 2.89Å
167	L	95.6	Very high	94.7	Very high	15 Å²	15	47 Å²	47	8%	0.079	25%	0.25	C	S	.	.	S	Bend	trans	-60.7	114.5	175.3	-177.2	72.2	0	0	0	109.9	L151 I155 T164 R169 R170 L176 L204	L151-L167 HydrophobicContact CD1-CD1 3.97Å; I155-L167 HydrophobicContact CD1-CD1 4.04Å; T164-L167 HydrophobicContact CG2-CB 4.43Å; L167-R169 PolarHBondContact O-N 3.14Å; L167-R169 VanDerWaalsContact O-N 3.1Å; L167-R170 HydrophobicContact CB-CB 4.16Å; L167-R170 HydrophobicContact CD2-CB 3.97Å; L167-R170 HydrophobicContact CG-CB 4.26Å; L167-R170 PolarHBondContact O-N 3.28Å; L167-R170 VanDerWaalsContact O-N 3.15Å; L167-L176 HydrophobicContact CD2-CD1 3.8Å; L167-L204 HydrophobicContact CB-CD2 3.93Å; L167-L204 HydrophobicContact CD2-CD2 3.35Å; L167-L204 HydrophobicContact CG-CD2 4.23Å
168	F	95.2	Very high	94.6	Very high	61 Å²	61	45.6 Å²	45.6	27%	0.268	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	117.1	-178.3	-178.1	-107.3	0	0	0	111.6	F106 E107 Y110 H111 K166 R170	F106-F168 HydrophobicContact CD1-CD1 4.31Å; F106-F168 AromaticContact CD1-CE1 3.92Å; F106-F168 HydrophobicContact CD1-CE1 3.92Å; F106-F168 AromaticContact CE1-CE1 3.89Å; F106-F168 HydrophobicContact CE1-CE1 3.89Å; E107-F168 HydrophobicContact CB-CD1 3.96Å; E107-F168 HydrophobicContact CB-CE1 3.81Å; E107-F168 HydrophobicContact CG-CE1 4.37Å; Y110-F168 HydrophobicContact CD1-CB 3.54Å; Y110-F168 HydrophobicContact CD1-CD1 4.34Å; Y110-F168 AromaticContact CD1-CD2 3.69Å; Y110-F168 HydrophobicContact CD1-CD2 3.69Å; Y110-F168 HydrophobicContact CD1-CE2 4.49Å; Y110-F168 AromaticContact CD1-CG 3.59Å; Y110-F168 HydrophobicContact CD1-CG 3.59Å; Y110-F168 HydrophobicContact CD2-CD2 4.28Å; Y110-F168 HydrophobicContact CD2-CE2 4.32Å; Y110-F168 HydrophobicContact CE1-CB 4.18Å; Y110-F168 AromaticContact CE1-CD2 3.8Å; Y110-F168 HydrophobicContact CE1-CD2 3.8Å; Y110-F168 HydrophobicContact CE1-CG 4.17Å; Y110-F168 HydrophobicContact CE2-CD2 4.39Å; Y110-F168 HydrophobicContact CE2-CE2 4.37Å; Y110-F168 HydrophobicContact CG-CB 4.12Å; Y110-F168 HydrophobicContact CG-CD1 4.06Å; Y110-F168 AromaticContact CG-CD2 3.91Å; Y110-F168 HydrophobicContact CG-CD2 3.91Å; Y110-F168 HydrophobicContact CG-CE1 4.47Å; Y110-F168 HydrophobicContact CG-CE2 4.35Å; Y110-F168 AromaticContact CG-CG 3.76Å; Y110-F168 HydrophobicContact CG-CG 3.76Å; H111-F168 PolarHBondContact CE1-N 3.36Å; H111-F168 PolarHBondContact NE2-N 2.83Å; H111-F168 VanDerWaalsContact NE2-N 3.17Å; K166-F168 PolarHBondContact O-N 2.89Å; F168-R170 VanDerWaalsContact C-N 3.26Å; F168-R170 PolarHBondContact O-N 3.33Å
169	R	93.5	Very high	94.4	Very high	57 Å²	57	48 Å²	48	22%	0.215	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	42.6	178.9	-66	-163	64	-170.9	-5.3	113.7	F106 L167 G171 A172 E194	F106-R169 HydrophobicContact CB-CB 4.49Å; F106-R169 HydrophobicContact CD1-CB 3.93Å; F106-R169 HydrophobicContact CD1-CG 4.35Å; F106-R169 HydrophobicContact CG-CB 4.31Å; L167-R169 PolarHBondContact O-N 3.14Å; L167-R169 VanDerWaalsContact O-N 3.1Å; R169-G171 PolarHBondContact O-N 2.99Å; R169-G171 VanDerWaalsContact O-N 3.12Å; R169-A172 HydrophobicContact CB-CB 4.35Å; R169-A172 VanDerWaalsContact O-CB 3.3Å; R169-A172 WeakPolarHBondContact O-CB 3.49Å; R169-A172 PolarHBondContact O-N 2.96Å; R169-E194 WeakPolarHBondContact CB-OE1 3.48Å; R169-E194 WeakPolarHBondContact CG-OE1 3.49Å; R169-E194 IonicContact CZ-OE1 3.99Å; R169-E194 IonicContact CZ-OE2 3.45Å; R169-E194 VanDerWaalsContact CZ-OE2 3.3Å; R169-E194 IonicContact NE-OE1 2.74Å; R169-E194 PolarHBondContact NE-OE1 2.81Å; R169-E194 IonicContact NE-OE2 2.79Å; R169-E194 PolarHBondContact NE-OE2 3.26Å; R169-E194 IonicContact NH2-OE1 3.68Å; R169-E194 IonicContact NH2-OE2 3.7Å; R169-E194 PolarHBondContact NH2-OE2 3.33Å
170	R	93.8	Very high	94.2	Very high	18 Å²	18	49.8 Å²	49.8	7%	0.068	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-47.7	-41.3	175	76.8	177.7	-163.3	171.5	2.7	112.7	L167 F168 A172 S173 V198 C201 S202 L204	L167-R170 HydrophobicContact CB-CB 4.16Å; L167-R170 HydrophobicContact CD2-CB 3.97Å; L167-R170 HydrophobicContact CG-CB 4.26Å; L167-R170 PolarHBondContact O-N 3.28Å; L167-R170 VanDerWaalsContact O-N 3.15Å; F168-R170 VanDerWaalsContact C-N 3.26Å; F168-R170 PolarHBondContact O-N 3.33Å; R170-A172 PolarHBondContact O-N 3.44Å; R170-A172 VanDerWaalsContact O-N 3.1Å; R170-S173 PolarHBondContact O-N 3.4Å; R170-S173 VanDerWaalsContact O-N 3.07Å; R170-V198 HydrophobicContact CG-CG2 4.02Å; R170-V198 PolarHBondContact NH2-O 3.11Å; R170-C201 PolarHBondContact NH2-O 3.17Å; R170-S202 VanDerWaalsContact CZ-O 3.29Å; R170-S202 PolarHBondContact NH1-O 3.35Å; R170-S202 PolarHBondContact NH2-O 3.29Å; R170-L204 VanDerWaalsContact NH1-N 3.2Å
171	G	93.3	Very high	94.3	Very high	7 Å²	7	45.5 Å²	45.5	7%	0.072	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-70.5	-7	-176.1	0	0	0	0	0	114.6	R169 C177 E194	R169-G171 PolarHBondContact O-N 2.99Å; R169-G171 VanDerWaalsContact O-N 3.12Å; G171-C177 VanDerWaalsContact CA-SG 3.59Å; G171-E194 WeakPolarHBondContact O-CA 3.47Å; G171-E194 WeakPolarHBondContact O-CB 3.24Å
172	A	93.6	Very high	94.2	Very high	3 Å²	3	38.5 Å²	38.5	3%	0.025	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-75.9	-13.9	171.6	0	0	0	0	0	112.7	Q94 N97 F106 R169 R170	Q94-A172 PolarHBondContact NE2-O 2.77Å; Q94-A172 VanDerWaalsContact NE2-O 3.14Å; N97-A172 PolarHBondContact ND2-O 3Å; F106-A172 HydrophobicContact CB-CB 3.84Å; F106-A172 HydrophobicContact CD2-CB 3.92Å; F106-A172 HydrophobicContact CG-CB 4.04Å; R169-A172 HydrophobicContact CB-CB 4.35Å; R169-A172 VanDerWaalsContact O-CB 3.3Å; R169-A172 WeakPolarHBondContact O-CB 3.49Å; R169-A172 PolarHBondContact O-N 2.96Å; R170-A172 PolarHBondContact O-N 3.44Å; R170-A172 VanDerWaalsContact O-N 3.1Å
173	S	95.3	Very high	94	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.021	20%	0.203	C	C	.	.			trans	-97.4	121.4	175.8	-176.9	0	0	0	0	110.5	Y104 R170 A175 L176 C177	Y104-S173 WeakPolarHBondContact O-CB 3.35Å; Y104-S173 PolarHBondContact O-OG 3.15Å; R170-S173 PolarHBondContact O-N 3.4Å; R170-S173 VanDerWaalsContact O-N 3.07Å; S173-A175 VanDerWaalsContact C-N 3.35Å; S173-L176 PolarHBondContact O-N 2.99Å; S173-C177 PolarHBondContact O-N 3.47Å; S173-C177 PolarHBondContact O-SG 3.14Å
174	R	93.7	Very high	93.7	Very high	50 Å²	50	40.8 Å²	40.8	19%	0.189	21%	0.208	C	C	.	.	S	Bend	trans	-66.5	-38.8	178.1	-79.8	-178.1	76.1	-173.8	8.3	112.1	N97 L176 C177 Q178	N97-R174 WeakPolarHBondContact O-CD 3.13Å; N97-R174 PolarHBondContact OD1-N 2.95Å; R174-L176 PolarHBondContact O-N 2.99Å; R174-C177 CarbonylContact O-C 3.49Å; R174-C177 WeakPolarHBondContact O-CA 3.46Å; R174-C177 PolarHBondContact O-N 2.91Å; R174-Q178 VanDerWaalsContact O-CG 3.29Å; R174-Q178 WeakPolarHBondContact O-CG 3.42Å; R174-Q178 PolarHBondContact O-N 3.09Å
175	A	94.6	Very high	93.3	Very high	8 Å²	8	41.2 Å²	41.2	7%	0.066	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-62	-28.7	178.8	0	0	0	0	0	112.7	F103 S173 C177	F103-A175 HydrophobicContact CD2-CB 3.49Å; F103-A175 VanDerWaalsContact CD2-CB 3.49Å; F103-A175 HydrophobicContact CE2-CB 3.77Å; S173-A175 VanDerWaalsContact C-N 3.35Å; A175-C177 VanDerWaalsContact C-N 3.31Å
176	L	95.5	Very high	92.5	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.026	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-84.2	-5.5	175	-57.6	-176.4	0	0	0	113.8	F103 L105 L167 S173 R174 V181 L204 A209	F103-L176 HydrophobicContact CE2-CD2 3.93Å; F103-L176 HydrophobicContact CZ-CD2 3.88Å; F103-L176 HydrophobicContact CZ-CG 4.43Å; L105-L176 HydrophobicContact CD2-CD1 4.2Å; L167-L176 HydrophobicContact CD2-CD1 3.8Å; S173-L176 PolarHBondContact O-N 2.99Å; R174-L176 PolarHBondContact O-N 2.99Å; L176-V181 HydrophobicContact CB-CG1 4.47Å; L176-V181 HydrophobicContact CD2-CG1 4.31Å; L176-V181 HydrophobicContact CD2-CG2 4.35Å; L176-L204 HydrophobicContact CD2-CD1 4.22Å; L176-A209 HydrophobicContact CD2-CB 3.69Å
177	C	93.6	Very high	91.3	Very high	4 Å²	4	41 Å²	41	3%	0.027	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-114.1	16.7	179.8	-58.8	0	0	0	0	112	G171 S173 R174 A175 F185 V192 C197	G171-C177 VanDerWaalsContact CA-SG 3.59Å; S173-C177 PolarHBondContact O-N 3.47Å; S173-C177 PolarHBondContact O-SG 3.14Å; R174-C177 CarbonylContact O-C 3.49Å; R174-C177 WeakPolarHBondContact O-CA 3.46Å; R174-C177 PolarHBondContact O-N 2.91Å; A175-C177 VanDerWaalsContact C-N 3.31Å; C177-F185 WeakPolarHBondContact O-CD2 3.45Å; C177-V192 HydrophobicContact CB-CG1 4.46Å; C177-C197 VanDerWaalsContact CA-SG 3.57Å; C177-C197 HydrophobicContact CB-CB 3.76Å; C177-C197 WeakPolarHBondContact CB-SG 3.49Å; C177-C197 WeakPolarHBondContact SG-CB 3.27Å; C177-C197 CovalentContact SG-SG 2.02Å; C177-C197 PolarHBondContact SG-SG 3Å
178	Q	91.8	Very high	89.9	Confident	62 Å²	62	43.3 Å²	43.3	29%	0.29	26%	0.257	S	S	.	.	S	Bend	trans	-137.6	166	-176.8	-70.8	177.6	-10.2	0	0	109.1	R174 V181 C182	R174-Q178 VanDerWaalsContact O-CG 3.29Å; R174-Q178 WeakPolarHBondContact O-CG 3.42Å; R174-Q178 PolarHBondContact O-N 3.09Å; Q178-V181 WeakPolarHBondContact O-CA 3.32Å; Q178-V181 WeakPolarHBondContact O-CB 3.44Å; Q178-V181 PolarHBondContact O-N 3.34Å; Q178-C182 CarbonylContact C-O 3.56Å; Q178-C182 PolarHBondContact O-N 2.76Å
179	Q	91	Very high	89	Confident	136 Å²	136	44.1 Å²	44.1	64%	0.636	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	144.8	174.1	-68.7	-175	-10.9	0	0	110.8	C182	Q179-C182 PolarHBondContact N-O 2.79Å
180	P	92.5	Very high	87.7	Confident	52 Å²	52	45 Å²	45	34%	0.338	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	cis	-82.3	-6.7	2.8	33.6	-36.5	0	0	0	114.7
181	V	94.8	Very high	86.5	Confident	12 Å²	12	49.5 Å²	49.5	7%	0.073	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-35.4	-173.1	-172.9	0	0	0	0	112.8	L176 Q178 L204 L208 A212	L176-V181 HydrophobicContact CB-CG1 4.47Å; L176-V181 HydrophobicContact CD2-CG1 4.31Å; L176-V181 HydrophobicContact CD2-CG2 4.35Å; Q178-V181 WeakPolarHBondContact O-CA 3.32Å; Q178-V181 WeakPolarHBondContact O-CB 3.44Å; Q178-V181 PolarHBondContact O-N 3.34Å; V181-L204 HydrophobicContact CG1-CD1 3.39Å; V181-L208 HydrophobicContact CG2-CB 4.4Å; V181-A212 HydrophobicContact CG2-CB 3.62Å
182	C	93.6	Very high	86	Confident	1 Å²	1	51 Å²	51	1%	0.007	31%	0.309	C	S	.	.			trans	-142.1	125.3	-179.9	178.8	0	0	0	0	110.9	Q178 Q179 C201	Q178-C182 CarbonylContact C-O 3.56Å; Q178-C182 PolarHBondContact O-N 2.76Å; Q179-C182 PolarHBondContact N-O 2.79Å; C182-C201 HydrophobicContact CB-CB 3.79Å; C182-C201 WeakPolarHBondContact CB-SG 3.32Å; C182-C201 VanDerWaalsContact SG-CA 3.53Å; C182-C201 WeakPolarHBondContact SG-CB 3.34Å; C182-C201 CovalentContact SG-SG 2.03Å; C182-C201 PolarHBondContact SG-SG 3.15Å
183	D	92	Very high	85.5	Confident	124 Å²	124	55.9 Å²	55.9	66%	0.663	33%	0.331	S	S	*	.			trans	-95.2	-4.5	-179.6	62	-18.2	0	0	0	113.6	F185	D183-F185 PolarHBondContact O-N 2.77Å; D183-F185 VanDerWaalsContact O-N 3.17Å
184	A	90.1	Very high	85.2	Confident	44 Å²	44	58.4 Å²	58.4	36%	0.364	34%	0.343	S	S	.	.	S	Bend	trans	-70.1	-9.2	-177.9	0	0	0	0	0	114.5	K200	A184-K200 HydrophobicContact CB-CB 3.97Å
185	F	87.6	Confident	84.8	Confident	18 Å²	18	57.8 Å²	57.8	8%	0.079	35%	0.352	C	S	.	.	S	Bend	trans	-131.7	138.2	-177.2	-56.5	-75.9	0	0	0	110.7	C177 D183 D189 V192 D196 C197 K200	C177-F185 WeakPolarHBondContact O-CD2 3.45Å; D183-F185 PolarHBondContact O-N 2.77Å; D183-F185 VanDerWaalsContact O-N 3.17Å; F185-D189 WeakPolarHBondContact CA-OD2 3.23Å; F185-D189 HydrophobicContact CB-CB 4.16Å; F185-D189 HydrophobicContact CD1-CB 4.35Å; F185-V192 HydrophobicContact CB-CG2 4.22Å; F185-V192 HydrophobicContact CD1-CG1 4.21Å; F185-V192 HydrophobicContact CD1-CG2 3.62Å; F185-V192 HydrophobicContact CD2-CG1 4.15Å; F185-V192 HydrophobicContact CD2-CG2 4.21Å; F185-V192 HydrophobicContact CE1-CB 4.49Å; F185-V192 HydrophobicContact CE1-CG1 3.75Å; F185-V192 HydrophobicContact CE1-CG2 3.96Å; F185-V192 HydrophobicContact CE2-CG1 3.7Å; F185-V192 HydrophobicContact CG-CG1 4.38Å; F185-V192 HydrophobicContact CG-CG2 3.75Å; F185-V192 HydrophobicContact CZ-CG1 3.47Å; F185-V192 VanDerWaalsContact CZ-CG1 3.47Å; F185-V192 HydrophobicContact CZ-CG2 4.41Å; F185-D196 HydrophobicContact CZ-CB 4.44Å; F185-C197 HydrophobicContact CE2-CB 4.45Å; F185-K200 HydrophobicContact CE1-CD 3.83Å; F185-K200 HydrophobicContact CE2-CB 4.33Å; F185-K200 HydrophobicContact CZ-CB 3.94Å; F185-K200 HydrophobicContact CZ-CD 3.78Å; F185-K200 HydrophobicContact CZ-CG 4.37Å
186	G	77.6	Confident	84.5	Confident	38 Å²	38	60.1 Å²	60.1	39%	0.392	36%	0.363	S	S	.	.			trans	-91.5	172.8	177.8	0	0	0	0	0	113.2	G188 D189	G186-G188 PolarHBondContact O-N 3.47Å; G186-D189 PolarHBondContact N-OD2 2.61Å; G186-D189 PolarHBondContact O-N 2.97Å; G186-D189 VanDerWaalsContact O-N 3.08Å
187	P	68.9	Low	84.3	Confident	143 Å²	143	59.9 Å²	59.9	93%	0.929	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-21	176.5	-24.5	34.2	0	0	0	114.6
188	G	65.9	Low	84.1	Confident	64 Å²	64	63.1 Å²	63.1	66%	0.66	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-8.7	178.1	0	0	0	0	0	115.3	G186 V190	G186-G188 PolarHBondContact O-N 3.47Å; G188-V190 VanDerWaalsContact O-CG2 3.22Å; G188-V190 WeakPolarHBondContact O-CG2 3.44Å; G188-V190 PolarHBondContact O-N 3.12Å
189	D	75.8	Confident	84.1	Confident	78 Å²	78	68.1 Å²	68.1	42%	0.417	40%	0.402	S	S	.	.			trans	-82.3	81.9	-178.8	-69.5	-52.1	0	0	0	110.9	F185 G186 N191 V192	F185-D189 WeakPolarHBondContact CA-OD2 3.23Å; F185-D189 HydrophobicContact CB-CB 4.16Å; F185-D189 HydrophobicContact CD1-CB 4.35Å; G186-D189 PolarHBondContact N-OD2 2.61Å; G186-D189 PolarHBondContact O-N 2.97Å; G186-D189 VanDerWaalsContact O-N 3.08Å; D189-N191 VanDerWaalsContact C-N 3.32Å; D189-N191 PolarHBondContact O-N 3.32Å; D189-V192 HydrophobicContact CB-CG2 4.02Å
190	V	66.4	Low	84.1	Confident	76 Å²	76	67.7 Å²	67.7	46%	0.461	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-10.9	-166.7	-155.5	0	0	0	0	114	G188	G188-V190 VanDerWaalsContact O-CG2 3.22Å; G188-V190 WeakPolarHBondContact O-CG2 3.44Å; G188-V190 PolarHBondContact O-N 3.12Å
191	N	70	Confident	84.1	Confident	111 Å²	111	65.8 Å²	65.8	59%	0.594	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.8	55.8	-175.6	-69.1	-53.6	0	0	0	113	D189 E193	D189-N191 VanDerWaalsContact C-N 3.32Å; D189-N191 PolarHBondContact O-N 3.32Å; N191-E193 PolarHBondContact O-N 3Å; N191-E193 VanDerWaalsContact O-N 3.11Å
192	V	82	Confident	83.8	Confident	39 Å²	39	68.9 Å²	68.9	24%	0.236	41%	0.408	C	S	.	.			trans	-62.2	114.7	174.9	-177.9	0	0	0	0	110	C177 F185 D189 C197	C177-V192 HydrophobicContact CB-CG1 4.46Å; F185-V192 HydrophobicContact CB-CG2 4.22Å; F185-V192 HydrophobicContact CD1-CG1 4.21Å; F185-V192 HydrophobicContact CD1-CG2 3.62Å; F185-V192 HydrophobicContact CD2-CG1 4.15Å; F185-V192 HydrophobicContact CD2-CG2 4.21Å; F185-V192 HydrophobicContact CE1-CB 4.49Å; F185-V192 HydrophobicContact CE1-CG1 3.75Å; F185-V192 HydrophobicContact CE1-CG2 3.96Å; F185-V192 HydrophobicContact CE2-CG1 3.7Å; F185-V192 HydrophobicContact CG-CG1 4.38Å; F185-V192 HydrophobicContact CG-CG2 3.75Å; F185-V192 HydrophobicContact CZ-CG1 3.47Å; F185-V192 VanDerWaalsContact CZ-CG1 3.47Å; F185-V192 HydrophobicContact CZ-CG2 4.41Å; D189-V192 HydrophobicContact CB-CG2 4.02Å; V192-C197 HydrophobicContact CG1-CB 3.83Å
193	E	83.3	Confident	83.8	Confident	105 Å²	105	72.5 Å²	72.5	49%	0.491	43%	0.431	S	S	.	.			trans	-69.5	145.9	173	-66.3	-158.5	160.4	0	0	110.6	N191 G195 D196 C197	N191-E193 PolarHBondContact O-N 3Å; N191-E193 VanDerWaalsContact O-N 3.11Å; E193-G195 PolarHBondContact O-N 3.14Å; E193-D196 PolarHBondContact O-N 3.41Å; E193-C197 PolarHBondContact O-N 3.17Å
194	E	88.3	Confident	84	Confident	56 Å²	56	66.8 Å²	66.8	26%	0.262	40%	0.4	S	S	.	.	H	α-helix	trans	-53.9	-40.4	179.5	168.9	176.8	-171.6	0	0	112.5	R169 G171 D196 C197 V198	R169-E194 WeakPolarHBondContact CB-OE1 3.48Å; R169-E194 WeakPolarHBondContact CG-OE1 3.49Å; R169-E194 IonicContact CZ-OE1 3.99Å; R169-E194 IonicContact CZ-OE2 3.45Å; R169-E194 VanDerWaalsContact CZ-OE2 3.3Å; R169-E194 IonicContact NE-OE1 2.74Å; R169-E194 PolarHBondContact NE-OE1 2.81Å; R169-E194 IonicContact NE-OE2 2.79Å; R169-E194 PolarHBondContact NE-OE2 3.26Å; R169-E194 IonicContact NH2-OE1 3.68Å; R169-E194 IonicContact NH2-OE2 3.7Å; R169-E194 PolarHBondContact NH2-OE2 3.33Å; G171-E194 WeakPolarHBondContact O-CA 3.47Å; G171-E194 WeakPolarHBondContact O-CB 3.24Å; E194-D196 VanDerWaalsContact C-N 3.34Å; E194-D196 PolarHBondContact O-N 3.09Å; E194-C197 PolarHBondContact O-N 3.44Å; E194-V198 WeakPolarHBondContact O-CG2 3.49Å; E194-V198 PolarHBondContact O-N 3.37Å
195	G	86.2	Confident	84.3	Confident	37 Å²	37	67.1 Å²	67.1	38%	0.381	40%	0.395	S	S	.	.	H	α-helix	trans	-63.8	-39.8	179.3	0	0	0	0	0	112.4	E193 V198 K199	E193-G195 PolarHBondContact O-N 3.14Å; G195-V198 PolarHBondContact O-N 3.15Å; G195-K199 WeakPolarHBondContact O-CB 3.44Å; G195-K199 WeakPolarHBondContact O-CD 3.37Å; G195-K199 WeakPolarHBondContact O-CG 3.46Å; G195-K199 PolarHBondContact O-N 3.1Å; G195-K199 VanDerWaalsContact O-N 3.08Å
196	D	88.7	Confident	84.7	Confident	58 Å²	58	66.2 Å²	66.2	31%	0.31	39%	0.392	S	S	.	.	H	α-helix	trans	-73.2	-39	179.1	-70.2	-18.9	0	0	0	111.5	F185 E193 E194 V198 K199 K200	F185-D196 HydrophobicContact CZ-CB 4.44Å; E193-D196 PolarHBondContact O-N 3.41Å; E194-D196 VanDerWaalsContact C-N 3.34Å; E194-D196 PolarHBondContact O-N 3.09Å; D196-V198 VanDerWaalsContact C-N 3.32Å; D196-V198 PolarHBondContact O-N 2.79Å; D196-K199 PolarHBondContact O-N 3.06Å; D196-K200 WeakPolarHBondContact O-CB 3.34Å; D196-K200 WeakPolarHBondContact O-CG 3.07Å; D196-K200 PolarHBondContact O-N 3.38Å
197	C	90.8	Very high	85.6	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-57.4	-46.4	172	172.6	0	0	0	0	111.8	C177 F185 V192 E193 E194 K199 C201	C177-C197 VanDerWaalsContact CA-SG 3.57Å; C177-C197 HydrophobicContact CB-CB 3.76Å; C177-C197 WeakPolarHBondContact CB-SG 3.49Å; C177-C197 WeakPolarHBondContact SG-CB 3.27Å; C177-C197 CovalentContact SG-SG 2.02Å; C177-C197 PolarHBondContact SG-SG 3Å; F185-C197 HydrophobicContact CE2-CB 4.45Å; V192-C197 HydrophobicContact CG1-CB 3.83Å; E193-C197 PolarHBondContact O-N 3.17Å; E194-C197 PolarHBondContact O-N 3.44Å; C197-K199 VanDerWaalsContact C-N 3.33Å; C197-K199 PolarHBondContact O-N 3.13Å; C197-C201 WeakPolarHBondContact O-CB 3.28Å; C197-C201 PolarHBondContact O-N 2.71Å; C197-C201 PolarHBondContact O-SG 2.96Å
198	V	90	Very high	87	Confident	71 Å²	71	62.2 Å²	62.2	43%	0.43	35%	0.354	S	S	.	.	H	α-helix	trans	-65	-38.4	178.8	175.1	0	0	0	0	111.7	R170 E194 G195 D196	R170-V198 HydrophobicContact CG-CG2 4.02Å; R170-V198 PolarHBondContact NH2-O 3.11Å; E194-V198 WeakPolarHBondContact O-CG2 3.49Å; E194-V198 PolarHBondContact O-N 3.37Å; G195-V198 PolarHBondContact O-N 3.15Å; D196-V198 VanDerWaalsContact C-N 3.32Å; D196-V198 PolarHBondContact O-N 2.79Å
199	K	90.5	Very high	88.5	Confident	167 Å²	167	59.1 Å²	59.1	73%	0.726	32%	0.323	S	S	*	.	H	α-helix	trans	-74.7	-39.5	-178.3	-72.4	169.5	-174.5	174.9	0	114	G195 D196 C197	G195-K199 WeakPolarHBondContact O-CB 3.44Å; G195-K199 WeakPolarHBondContact O-CD 3.37Å; G195-K199 WeakPolarHBondContact O-CG 3.46Å; G195-K199 PolarHBondContact O-N 3.1Å; G195-K199 VanDerWaalsContact O-N 3.08Å; D196-K199 PolarHBondContact O-N 3.06Å; C197-K199 VanDerWaalsContact C-N 3.33Å; C197-K199 PolarHBondContact O-N 3.13Å
200	K	92.1	Very high	89.5	Confident	128 Å²	128	56 Å²	56	56%	0.557	31%	0.306	S	S	*	.	H	α-helix	trans	-94.2	-31.5	-171.1	-64.9	-176.9	179.2	179.4	0	113.2	A184 F185 D196	A184-K200 HydrophobicContact CB-CB 3.97Å; F185-K200 HydrophobicContact CE1-CD 3.83Å; F185-K200 HydrophobicContact CE2-CB 4.33Å; F185-K200 HydrophobicContact CZ-CB 3.94Å; F185-K200 HydrophobicContact CZ-CD 3.78Å; F185-K200 HydrophobicContact CZ-CG 4.37Å; D196-K200 WeakPolarHBondContact O-CB 3.34Å; D196-K200 WeakPolarHBondContact O-CG 3.07Å; D196-K200 PolarHBondContact O-N 3.38Å
201	C	92.2	Very high	91	Very high	12 Å²	12	56.1 Å²	56.1	8%	0.081	30%	0.302	C	S	.	.	S	Bend	trans	-76.6	144.5	176.2	-58.2	0	0	0	0	111	R170 C182 C197	R170-C201 PolarHBondContact NH2-O 3.17Å; C182-C201 HydrophobicContact CB-CB 3.79Å; C182-C201 WeakPolarHBondContact CB-SG 3.32Å; C182-C201 VanDerWaalsContact SG-CA 3.53Å; C182-C201 WeakPolarHBondContact SG-CB 3.34Å; C182-C201 CovalentContact SG-SG 2.03Å; C182-C201 PolarHBondContact SG-SG 3.15Å; C197-C201 WeakPolarHBondContact O-CB 3.28Å; C197-C201 PolarHBondContact O-N 2.71Å; C197-C201 PolarHBondContact O-SG 2.96Å
202	S	88	Confident	92.3	Very high	77 Å²	77	51 Å²	51	54%	0.538	28%	0.275	S	S	.	.			trans	-62.6	-178.7	172.1	60.9	0	0	0	0	112.3	R170 L204	R170-S202 VanDerWaalsContact CZ-O 3.29Å; R170-S202 PolarHBondContact NH1-O 3.35Å; R170-S202 PolarHBondContact NH2-O 3.29Å; S202-L204 PolarHBondContact O-N 3.47Å
203	T	93.3	Very high	93	Very high	77 Å²	77	49.1 Å²	49.1	47%	0.472	26%	0.264	S	S	.	.	S	Bend	trans	-55.8	140.8	172.5	48.8	0	0	0	0	110	D165 N205	D165-T203 HydrophobicContact CB-CG2 4.39Å; T203-N205 PolarHBondContact O-N 2.77Å
204	L	95.7	Very high	93.7	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.021	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	121.7	-177.5	177.6	68.2	0	0	0	108.9	T163 T164 L167 R170 L176 V181 S202 M206 A209	T163-L204 CarbonylContact C-O 3.58Å; T163-L204 VanDerWaalsContact CA-O 3.24Å; T163-L204 WeakPolarHBondContact CA-O 3.4Å; T164-L204 HydrophobicContact CG2-CB 4.42Å; T164-L204 PolarHBondContact N-O 2.77Å; T164-L204 WeakPolarHBondContact O-CA 3.18Å; T164-L204 VanDerWaalsContact O-CB 3.23Å; T164-L204 WeakPolarHBondContact O-CB 3.26Å; T164-L204 PolarHBondContact O-N 3.04Å; L167-L204 HydrophobicContact CB-CD2 3.93Å; L167-L204 HydrophobicContact CD2-CD2 3.35Å; L167-L204 HydrophobicContact CG-CD2 4.23Å; R170-L204 VanDerWaalsContact NH1-N 3.2Å; L176-L204 HydrophobicContact CD2-CD1 4.22Å; V181-L204 HydrophobicContact CG1-CD1 3.39Å; S202-L204 PolarHBondContact O-N 3.47Å; L204-M206 HydrophobicContact CD2-SD 3.93Å; L204-M206 HydrophobicContact CG-SD 4.39Å; L204-A209 HydrophobicContact CD1-CB 4.15Å
205	N	96.7	Very high	94	Very high	50 Å²	50	53.3 Å²	53.3	27%	0.267	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	118.8	168.7	-173	-38.2	0	0	0	109.5	T163 T203 T207 L208 A209	T163-N205 HydrophobicContact CG2-CB 4.41Å; T203-N205 PolarHBondContact O-N 2.77Å; N205-T207 VanDerWaalsContact C-N 3.28Å; N205-T207 PolarHBondContact O-N 3.41Å; N205-T207 VanDerWaalsContact OD1-CB 3.23Å; N205-T207 WeakPolarHBondContact OD1-CB 3.44Å; N205-T207 PolarHBondContact OD1-N 2.84Å; N205-L208 HydrophobicContact CB-CB 4.3Å; N205-L208 HydrophobicContact CB-CD1 4.03Å; N205-L208 HydrophobicContact CB-CG 4.09Å; N205-L208 PolarHBondContact O-N 2.75Å; N205-L208 PolarHBondContact OD1-N 2.85Å; N205-A209 WeakPolarHBondContact O-CB 2.96Å; N205-A209 PolarHBondContact O-N 3.23Å
206	M	96.3	Very high	94.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-69.5	-25.5	-176.6	-59.9	-66.2	-77	0	0	112.5	L148 Y149 L151 H162 T164 L204 T210	L148-M206 HydrophobicContact CB-CE 3.83Å; L148-M206 WeakPolarHBondContact O-CE 3.24Å; Y149-M206 HydrophobicContact CD1-CB 4.38Å; Y149-M206 HydrophobicContact CE1-CB 4.41Å; L151-M206 HydrophobicContact CB-CE 3.84Å; L151-M206 HydrophobicContact CD1-CE 4.01Å; H162-M206 HydrophobicContact CB-CB 4.2Å; H162-M206 WeakPolarHBondContact O-CB 3.32Å; H162-M206 VanDerWaalsContact O-CG 3.29Å; H162-M206 WeakPolarHBondContact O-CG 3.36Å; H162-M206 PolarHBondContact O-N 2.86Å; T164-M206 HydrophobicContact CG2-SD 4.2Å; L204-M206 HydrophobicContact CD2-SD 3.93Å; L204-M206 HydrophobicContact CG-SD 4.39Å; M206-T210 WeakPolarHBondContact O-CB 3.5Å; M206-T210 PolarHBondContact O-N 3.02Å; M206-T210 PolarHBondContact O-OG1 2.98Å
207	T	96.9	Very high	94.9	Very high	40 Å²	40	56.5 Å²	56.5	25%	0.245	28%	0.284	C	S	.	.	H	α-helix	trans	-66.2	-53.1	172.6	-54.1	0	0	0	0	110.6	Y149 N205 A209 T210 E211	Y149-T207 WeakPolarHBondContact OH-CA 3.4Å; Y149-T207 VanDerWaalsContact OH-CB 3.3Å; Y149-T207 WeakPolarHBondContact OH-CB 3.45Å; Y149-T207 WeakPolarHBondContact OH-CG2 3.33Å; Y149-T207 PolarHBondContact OH-OG1 3.25Å; N205-T207 VanDerWaalsContact C-N 3.28Å; N205-T207 PolarHBondContact O-N 3.41Å; N205-T207 VanDerWaalsContact OD1-CB 3.23Å; N205-T207 WeakPolarHBondContact OD1-CB 3.44Å; N205-T207 PolarHBondContact OD1-N 2.84Å; T207-A209 VanDerWaalsContact C-N 3.25Å; T207-A209 PolarHBondContact O-N 3.02Å; T207-T210 WeakPolarHBondContact O-CA 3.31Å; T207-T210 VanDerWaalsContact O-CB 3.31Å; T207-T210 WeakPolarHBondContact O-CB 3.32Å; T207-T210 PolarHBondContact O-N 2.96Å; T207-E211 WeakPolarHBondContact O-CG 3.33Å; T207-E211 PolarHBondContact O-N 3.17Å
208	L	97.4	Very high	95.2	Very high	56 Å²	56	57.5 Å²	57.5	29%	0.293	29%	0.289	S	S	.	.	H	α-helix	trans	-61.5	-36.3	177.2	-61.7	179.2	0	0	0	111.7	V181 N205 T210 E211 A212	V181-L208 HydrophobicContact CG2-CB 4.4Å; N205-L208 HydrophobicContact CB-CB 4.3Å; N205-L208 HydrophobicContact CB-CD1 4.03Å; N205-L208 HydrophobicContact CB-CG 4.09Å; N205-L208 PolarHBondContact O-N 2.75Å; N205-L208 PolarHBondContact OD1-N 2.85Å; L208-T210 VanDerWaalsContact C-N 3.33Å; L208-E211 WeakPolarHBondContact CD2-OE2 3.4Å; L208-E211 PolarHBondContact O-N 2.87Å; L208-A212 WeakPolarHBondContact O-CB 3.24Å; L208-A212 PolarHBondContact O-N 3.17Å
209	A	97.6	Very high	95.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66.5	-35.7	175.4	0	0	0	0	0	112.6	L148 L176 L204 N205 T207 C213	L148-A209 HydrophobicContact CD2-CB 3.58Å; L176-A209 HydrophobicContact CD2-CB 3.69Å; L204-A209 HydrophobicContact CD1-CB 4.15Å; N205-A209 WeakPolarHBondContact O-CB 2.96Å; N205-A209 PolarHBondContact O-N 3.23Å; T207-A209 VanDerWaalsContact C-N 3.25Å; T207-A209 PolarHBondContact O-N 3.02Å; A209-C213 WeakPolarHBondContact O-CB 3.46Å; A209-C213 PolarHBondContact O-N 3.4Å
210	T	97.9	Very high	96	Very high	11 Å²	11	46.2 Å²	46.2	7%	0.067	23%	0.234	C	C	.	.	H	α-helix	trans	-65.5	-47.7	174.2	-66.3	0	0	0	0	110.6	C146 Y149 M206 T207 L208 C213 Q214	C146-T210 WeakPolarHBondContact O-CG2 3.33Å; Y149-T210 HydrophobicContact CE2-CG2 4.39Å; M206-T210 WeakPolarHBondContact O-CB 3.5Å; M206-T210 PolarHBondContact O-N 3.02Å; M206-T210 PolarHBondContact O-OG1 2.98Å; T207-T210 WeakPolarHBondContact O-CA 3.31Å; T207-T210 VanDerWaalsContact O-CB 3.31Å; T207-T210 WeakPolarHBondContact O-CB 3.32Å; T207-T210 PolarHBondContact O-N 2.96Å; L208-T210 VanDerWaalsContact C-N 3.33Å; T210-C213 WeakPolarHBondContact O-CB 3.37Å; T210-C213 PolarHBondContact O-N 3.45Å; T210-C213 VanDerWaalsContact O-N 3.16Å; T210-Q214 VanDerWaalsContact O-CG 3.31Å; T210-Q214 WeakPolarHBondContact O-CG 3.43Å; T210-Q214 PolarHBondContact O-N 3Å
211	E	97.4	Very high	96.3	Very high	79 Å²	79	40.1 Å²	40.1	37%	0.369	21%	0.207	S	C	.	.	H	α-helix	trans	-58.4	-49.7	175.4	-68.8	167.8	-177.9	0	0	111.1	T207 L208 C213 Q214 E215	T207-E211 WeakPolarHBondContact O-CG 3.33Å; T207-E211 PolarHBondContact O-N 3.17Å; L208-E211 WeakPolarHBondContact CD2-OE2 3.4Å; L208-E211 PolarHBondContact O-N 2.87Å; E211-C213 PolarHBondContact O-N 3.2Å; E211-Q214 WeakPolarHBondContact O-CB 3.34Å; E211-Q214 PolarHBondContact O-N 2.92Å; E211-E215 WeakPolarHBondContact O-CG 3.41Å; E211-E215 PolarHBondContact O-N 2.89Å
212	A	97	Very high	96.6	Very high	4 Å²	4	39.7 Å²	39.7	3%	0.033	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-32.9	176.9	0	0	0	0	0	113	V181 L208 K216	V181-A212 HydrophobicContact CG2-CB 3.62Å; L208-A212 WeakPolarHBondContact O-CB 3.24Å; L208-A212 PolarHBondContact O-N 3.17Å; A212-K216 WeakPolarHBondContact O-CG 3.47Å
213	C	97.9	Very high	97.1	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69.6	-41.9	172.7	-178.5	0	0	0	0	111.9	K76 F103 C146 L148 A209 T210 E211 E215 K216	K76-C213 PolarHBondContact NZ-O 3.27Å; F103-C213 HydrophobicContact CD1-CB 3.83Å; F103-C213 VanDerWaalsContact CD1-SG 3.55Å; F103-C213 HydrophobicContact CD2-CB 3.86Å; F103-C213 HydrophobicContact CE1-CB 3.82Å; F103-C213 HydrophobicContact CE2-CB 3.87Å; F103-C213 HydrophobicContact CG-CB 3.85Å; F103-C213 HydrophobicContact CZ-CB 3.85Å; C146-C213 WeakPolarHBondContact CA-SG 3.42Å; C146-C213 HydrophobicContact CB-CB 3.61Å; C146-C213 WeakPolarHBondContact CB-SG 3.05Å; C146-C213 WeakPolarHBondContact SG-CB 3.19Å; C146-C213 PolarHBondContact SG-O 2.81Å; C146-C213 CovalentContact SG-SG 2.05Å; C146-C213 PolarHBondContact SG-SG 2.99Å; L148-C213 HydrophobicContact CD1-CB 4.14Å; A209-C213 WeakPolarHBondContact O-CB 3.46Å; A209-C213 PolarHBondContact O-N 3.4Å; T210-C213 WeakPolarHBondContact O-CB 3.37Å; T210-C213 PolarHBondContact O-N 3.45Å; T210-C213 VanDerWaalsContact O-N 3.16Å; E211-C213 PolarHBondContact O-N 3.2Å; C213-E215 VanDerWaalsContact C-N 3.35Å; C213-K216 PolarHBondContact O-N 3.38Å
214	Q	96.7	Very high	97.2	Very high	115 Å²	115	33.4 Å²	33.4	54%	0.537	16%	0.162	S	C	.	.	H	α-helix	trans	-63.8	-40.5	-179.4	-72	172.2	-0.7	0	0	111.4	K76 C146 T210 E211 K216	K76-Q214 PolarHBondContact NZ-O 2.83Å; C146-Q214 HydrophobicContact CB-CG 3.79Å; T210-Q214 VanDerWaalsContact O-CG 3.31Å; T210-Q214 WeakPolarHBondContact O-CG 3.43Å; T210-Q214 PolarHBondContact O-N 3Å; E211-Q214 WeakPolarHBondContact O-CB 3.34Å; E211-Q214 PolarHBondContact O-N 2.92Å; Q214-K216 VanDerWaalsContact C-N 3.29Å; Q214-K216 PolarHBondContact O-N 2.97Å
215	E	95.7	Very high	97	Very high	134 Å²	134	35.3 Å²	35.3	63%	0.626	17%	0.169	S	C	*	.	H	α-helix	trans	-61.9	-30.3	177	-72	177.4	179.4	0	0	114	E211 C213	E211-E215 WeakPolarHBondContact O-CG 3.41Å; E211-E215 PolarHBondContact O-N 2.89Å; C213-E215 VanDerWaalsContact C-N 3.35Å
216	K	95.8	Very high	97	Very high	54 Å²	54	33.3 Å²	33.3	24%	0.235	16%	0.159	C	C	.	.	S	Bend	trans	-76.8	141.4	178.1	-63.2	-59.4	-178.8	-171.7	0	111	K76 Q100 F103 A212 C213 Q214 H218	K76-K216 WeakPolarHBondContact CE-O 3.48Å; K76-K216 PolarHBondContact NZ-O 2.79Å; Q100-K216 VanDerWaalsContact O-CD 3.28Å; Q100-K216 WeakPolarHBondContact O-CD 3.47Å; Q100-K216 WeakPolarHBondContact O-CE 3.2Å; Q100-K216 PolarHBondContact O-NZ 3.26Å; F103-K216 HydrophobicContact CB-CB 3.83Å; F103-K216 HydrophobicContact CB-CG 3.83Å; A212-K216 WeakPolarHBondContact O-CG 3.47Å; C213-K216 PolarHBondContact O-N 3.38Å; Q214-K216 VanDerWaalsContact C-N 3.29Å; Q214-K216 PolarHBondContact O-N 2.97Å; K216-H218 VanDerWaalsContact C-N 3.3Å; K216-H218 PolarHBondContact O-N 3.5Å
217	K	96.7	Very high	96.8	Very high	108 Å²	108	34 Å²	34	47%	0.47	16%	0.164	S	C	.	.	S	Bend	trans	-71.7	-23.3	179.9	-62.1	-170	-176.9	160.5	0	113.4	K76 E101	K76-K217 WeakPolarHBondContact CA-O 3.36Å; K76-K217 VanDerWaalsContact CG-O 3.29Å; K76-K217 WeakPolarHBondContact CG-O 3.34Å; E101-K217 HydrophobicContact CB-CB 4.19Å; E101-K217 HydrophobicContact CB-CG 4.4Å; E101-K217 PolarHBondContact O-N 2.97Å; E101-K217 VanDerWaalsContact O-N 3.1Å; E101-K217 VanDerWaalsContact OE1-CD 3.25Å; E101-K217 WeakPolarHBondContact OE1-CD 3.48Å; E101-K217 WeakPolarHBondContact OE1-CE 3.17Å; E101-K217 IonicContact OE1-NZ 3.61Å; E101-K217 PolarHBondContact OE1-NZ 2.95Å
218	H	98.1	Very high	96.8	Very high	21 Å²	21	34.2 Å²	34.2	10%	0.097	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	154.6	-173.3	-55	-36.9	0	0	0	111.3	L77 E101 I102 F103 K216 L338	L77-H218 HydrophobicContact CB-CB 4.41Å; L77-H218 WeakPolarHBondContact CB-ND1 3.42Å; L77-H218 PolarHBondContact N-ND1 3.36Å; L77-H218 WeakPolarHBondContact O-CA 3.16Å; E101-H218 PolarHBondContact O-N 3.38Å; I102-H218 HydrophobicContact CG1-CB 4Å; F103-H218 PolarHBondContact N-O 3.28Å; K216-H218 VanDerWaalsContact C-N 3.3Å; K216-H218 PolarHBondContact O-N 3.5Å; H218-L338 WeakPolarHBondContact NE2-CD2 3.38Å
219	V	98.6	Very high	96.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	126.1	178	175.4	0	0	0	0	109.5	K76 L77 H78 I79 F103 Y144 I221	K76-V219 HydrophobicContact CD-CG2 3.88Å; L77-V219 PolarHBondContact O-N 3.46Å; H78-V219 CarbonylContact C-O 3.58Å; H78-V219 WeakPolarHBondContact CA-O 3.33Å; I79-V219 PolarHBondContact N-O 2.97Å; F103-V219 HydrophobicContact CB-CG2 4.29Å; F103-V219 HydrophobicContact CD1-CG1 4.45Å; F103-V219 CarbonylContact O-C 3.48Å; F103-V219 WeakPolarHBondContact O-CA 3.43Å; Y144-V219 HydrophobicContact CD1-CB 4.07Å; Y144-V219 HydrophobicContact CD1-CG1 3.71Å; Y144-V219 HydrophobicContact CE1-CG1 4.08Å; V219-I221 HydrophobicContact CG1-CD1 4.33Å; V219-I221 HydrophobicContact CG1-CG1 4.09Å
220	A	98.8	Very high	96.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	125.3	177.2	0	0	0	0	0	111.2	I79 L96 I102 F103 Y104 L105	I79-A220 HydrophobicContact CB-CB 4.05Å; I79-A220 HydrophobicContact CD1-CB 4.45Å; I79-A220 CarbonylContact O-C 3.51Å; I79-A220 VanDerWaalsContact O-CA 3.28Å; I79-A220 WeakPolarHBondContact O-CA 3.38Å; L96-A220 HydrophobicContact CB-CB 4.16Å; L96-A220 HydrophobicContact CD1-CB 3.85Å; I102-A220 HydrophobicContact CG2-CB 3.5Å; F103-A220 PolarHBondContact O-N 3.15Å; Y104-A220 CarbonylContact C-O 3.49Å; Y104-A220 VanDerWaalsContact CA-O 3.27Å; Y104-A220 WeakPolarHBondContact CA-O 3.25Å; Y104-A220 HydrophobicContact CD2-CB 4.07Å; L105-A220 PolarHBondContact N-O 2.93Å
221	I	98.8	Very high	96.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.5	178.1	-57.2	178.1	0	0	0	108.8	I79 L80 V81 L105 P108 L140 L143 Y144 V219 V223	I79-I221 PolarHBondContact O-N 2.87Å; L80-I221 WeakPolarHBondContact CA-O 3.31Å; L80-I221 HydrophobicContact CD1-CB 4.47Å; V81-I221 PolarHBondContact N-O 2.94Å; L105-I221 HydrophobicContact CB-CG1 4.33Å; P108-I221 HydrophobicContact CG-CG2 3.52Å; L140-I221 HydrophobicContact CD2-CB 4.4Å; L140-I221 HydrophobicContact CD2-CD1 4.09Å; L140-I221 HydrophobicContact CD2-CG2 3.75Å; L143-I221 HydrophobicContact CB-CD1 3.66Å; L143-I221 HydrophobicContact CD1-CD1 4.26Å; Y144-I221 HydrophobicContact CD1-CD1 3.9Å; Y144-I221 HydrophobicContact CD1-CG1 4.34Å; Y144-I221 HydrophobicContact CD2-CD1 4.42Å; Y144-I221 HydrophobicContact CE1-CB 4.23Å; Y144-I221 HydrophobicContact CE1-CD1 3.68Å; Y144-I221 HydrophobicContact CE1-CG1 3.76Å; Y144-I221 HydrophobicContact CE2-CD1 4.23Å; Y144-I221 HydrophobicContact CG-CD1 4.26Å; V219-I221 HydrophobicContact CG1-CD1 4.33Å; V219-I221 HydrophobicContact CG1-CG1 4.09Å; I221-V223 HydrophobicContact CG2-CG1 4.05Å
222	K	98.4	Very high	96.7	Very high	3 Å²	3	32 Å²	32	1%	0.013	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.8	174.1	179.3	-160.7	68.2	106.8	0	110.8	V81 S89 Y104 L105 F106 E107	V81-K222 HydrophobicContact CB-CB 4.04Å; V81-K222 HydrophobicContact CB-CG 4.04Å; V81-K222 HydrophobicContact CG1-CG 4.06Å; S89-K222 WeakPolarHBondContact O-CD 3Å; Y104-K222 HydrophobicContact CE2-CB 3.92Å; Y104-K222 WeakPolarHBondContact OH-CD 3.45Å; Y104-K222 VanDerWaalsContact OH-CE 3.26Å; Y104-K222 WeakPolarHBondContact OH-CE 3.34Å; L105-K222 PolarHBondContact O-N 3.33Å; L105-K222 VanDerWaalsContact O-N 3.14Å; F106-K222 HydrophobicContact CE2-CD 4.36Å; E107-K222 VanDerWaalsContact CA-O 3.24Å; E107-K222 WeakPolarHBondContact CA-O 3.36Å; E107-K222 VanDerWaalsContact CG-NZ 3.25Å; E107-K222 PolarHBondContact N-O 2.96Å; E107-K222 VanDerWaalsContact OE1-CE 3.28Å; E107-K222 WeakPolarHBondContact OE1-CE 3.43Å; E107-K222 IonicContact OE1-NZ 2.72Å; E107-K222 PolarHBondContact OE1-NZ 3.42Å
223	V	97.4	Very high	96.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.4	-179.5	-59.9	0	0	0	0	112.5	L80 V81 L82 A83 E107 L109 L140 I221 V226	L80-V223 HydrophobicContact CD1-CG1 4.12Å; L80-V223 HydrophobicContact CD1-CG2 4Å; L80-V223 HydrophobicContact CD2-CG2 4.47Å; L80-V223 HydrophobicContact CG-CG2 4.3Å; V81-V223 PolarHBondContact O-N 3.04Å; L82-V223 HydrophobicContact CD1-CG2 4.24Å; A83-V223 PolarHBondContact N-O 2.02Å; E107-V223 WeakPolarHBondContact OE2-CA 3.17Å; L109-V223 HydrophobicContact CD1-CB 4.06Å; L109-V223 HydrophobicContact CD1-CG1 3.66Å; L109-V223 HydrophobicContact CG-CG1 3.93Å; L140-V223 HydrophobicContact CD2-CG1 4.08Å; I221-V223 HydrophobicContact CG2-CG1 4.05Å; V223-V226 HydrophobicContact CB-CG2 4.46Å; V223-V226 HydrophobicContact CG2-CB 4.3Å; V223-V226 HydrophobicContact CG2-CG2 4Å
224	V	95.1	Very high	96.6	Very high	22 Å²	22	40 Å²	40	13%	0.133	20%	0.2	C	C	.	.	S	Bend	trans	-120.2	7.5	168.8	-56.9	0	0	0	0	115.5	A83 T85 E107	A83-V224 HydrophobicContact CB-CG1 4.13Å; A83-V224 VanDerWaalsContact O-CA 3.23Å; A83-V224 WeakPolarHBondContact O-CA 3.44Å; T85-V224 WeakPolarHBondContact OG1-CG2 3.27Å; E107-V224 VanDerWaalsContact OE1-CG1 3.23Å; E107-V224 WeakPolarHBondContact OE1-CG1 3.08Å; E107-V224 PolarHBondContact OE1-N 2.98Å; E107-V224 WeakPolarHBondContact OE2-CG2 3.34Å; E107-V224 PolarHBondContact OE2-N 3.38Å
225	R	92.8	Very high	96.6	Very high	44 Å²	44	34.7 Å²	34.7	17%	0.166	18%	0.175	C	C	.	.	S	Bend	trans	-107.6	-9.1	-174.9	-67	178.5	-176.2	71.6	11.1	114	E107 L109 Y110 P227	E107-R225 IonicContact OE2-NH1 3.78Å; E107-R225 PolarHBondContact OE2-NH1 3.39Å; E107-R225 VanDerWaalsContact OE2-NH1 3.15Å; L109-R225 HydrophobicContact CB-CB 4.44Å; L109-R225 WeakPolarHBondContact O-CD 3.08Å; Y110-R225 VanDerWaalsContact CA-CZ 3.44Å; Y110-R225 VanDerWaalsContact CD2-NH2 3.34Å; R225-P227 WeakPolarHBondContact O-CD 3.43Å
226	V	94.7	Very high	96.7	Very high	8 Å²	8	28.3 Å²	28.3	5%	0.048	15%	0.145	C	C	.	.			trans	-83.2	120.7	170.3	179.9	0	0	0	0	107.8	L82 L109 V223 D231 L232	L82-V226 HydrophobicContact CD1-CB 3.78Å; L82-V226 HydrophobicContact CD1-CG1 3.94Å; L109-V226 HydrophobicContact CD1-CG2 3.74Å; V223-V226 HydrophobicContact CB-CG2 4.46Å; V223-V226 HydrophobicContact CG2-CB 4.3Å; V223-V226 HydrophobicContact CG2-CG2 4Å; V226-D231 HydrophobicContact CG1-CB 3.97Å; V226-L232 HydrophobicContact CG1-CD1 4.16Å; V226-L232 HydrophobicContact CG1-CD2 3.96Å; V226-L232 HydrophobicContact CG1-CG 3.81Å; V226-L232 HydrophobicContact CG2-CD2 4.25Å
227	P	93.1	Very high	96.8	Very high	16 Å²	16	29.9 Å²	29.9	10%	0.104	15%	0.154	C	C	.	.			trans	-62.6	-58	-179.7	-17.7	28	0	0	0	114.6	R225 D231	R225-P227 WeakPolarHBondContact O-CD 3.43Å; P227-D231 WeakPolarHBondContact CB-OD2 3.43Å; P227-D231 VanDerWaalsContact CD-OD2 3.27Å; P227-D231 WeakPolarHBondContact CD-OD2 3.48Å
228	E	96.1	Very high	96.8	Very high	44 Å²	44	25.2 Å²	25.2	21%	0.206	13%	0.134	C	C	.	.			trans	-132.7	156.5	-167.4	-61.7	-179.5	-139.2	0	0	111.1	G230 D231	E228-G230 PolarHBondContact O-N 3.44Å; E228-D231 PolarHBondContact N-OD2 3.37Å; E228-D231 WeakPolarHBondContact O-CB 3.28Å; E228-D231 PolarHBondContact O-N 3.03Å; E228-D231 VanDerWaalsContact O-N 3.1Å
229	I	97.2	Very high	96.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-59.5	-32.2	176.2	-171.3	56	0	0	0	111.3	L82 D231 L232 V245 S298 T301 W308 L309 Y313	L82-I229 HydrophobicContact CD2-CB 4.04Å; L82-I229 HydrophobicContact CD2-CD1 4.1Å; I229-D231 PolarHBondContact O-N 2.83Å; I229-L232 HydrophobicContact CD1-CD1 3.92Å; I229-L232 WeakPolarHBondContact O-CB 3.24Å; I229-L232 PolarHBondContact O-N 2.78Å; I229-V245 HydrophobicContact CD1-CB 4.04Å; I229-V245 HydrophobicContact CD1-CG1 3.62Å; I229-V245 HydrophobicContact CD1-CG2 4.14Å; I229-S298 VanDerWaalsContact CG2-O 3.23Å; I229-S298 WeakPolarHBondContact CG2-O 3.37Å; I229-S298 PolarHBondContact N-OG 3.43Å; I229-T301 HydrophobicContact CG2-CG2 3.68Å; I229-W308 HydrophobicContact CG1-CH2 4.02Å; I229-W308 WeakPolarHBondContact O-CH2 2.99Å; I229-L309 HydrophobicContact CD1-CD2 4.29Å; I229-L309 HydrophobicContact CG1-CD1 3.94Å; I229-L309 HydrophobicContact CG1-CD2 4.1Å; I229-Y313 HydrophobicContact CD1-CD2 4.06Å; I229-Y313 HydrophobicContact CD1-CE2 4.1Å; I229-Y313 HydrophobicContact CG1-CD2 4.05Å; I229-Y313 HydrophobicContact CG1-CE2 3.89Å
230	G	96.9	Very high	96.4	Very high	34 Å²	34	37 Å²	37	35%	0.351	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-59.3	-31.9	176	0	0	0	0	0	113.8	E228 L232 R233	E228-G230 PolarHBondContact O-N 3.44Å; G230-L232 PolarHBondContact O-N 2.74Å; G230-R233 VanDerWaalsContact O-CB 3.29Å; G230-R233 WeakPolarHBondContact O-CB 3.4Å; G230-R233 PolarHBondContact O-N 3.43Å
231	D	96.7	Very high	96.2	Very high	59 Å²	59	37.6 Å²	37.6	32%	0.316	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-67.7	-17.4	178.1	-61.4	-50.8	0	0	0	112.6	L133 V226 P227 E228 I229	L133-D231 HydrophobicContact CD1-CB 4.39Å; L133-D231 HydrophobicContact CD2-CB 4.19Å; V226-D231 HydrophobicContact CG1-CB 3.97Å; P227-D231 WeakPolarHBondContact CB-OD2 3.43Å; P227-D231 VanDerWaalsContact CD-OD2 3.27Å; P227-D231 WeakPolarHBondContact CD-OD2 3.48Å; E228-D231 PolarHBondContact N-OD2 3.37Å; E228-D231 WeakPolarHBondContact O-CB 3.28Å; E228-D231 PolarHBondContact O-N 3.03Å; E228-D231 VanDerWaalsContact O-N 3.1Å; I229-D231 PolarHBondContact O-N 2.83Å
232	L	97.3	Very high	96.1	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.037	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-94.2	-3.4	180	-63	163.8	0	0	0	113	L80 L82 L140 V226 I229 G230 A234 L235 V236 V245	L80-L232 HydrophobicContact CD2-CD1 3.22Å; L80-L232 HydrophobicContact CD2-CD2 3.61Å; L80-L232 HydrophobicContact CD2-CG 4.01Å; L82-L232 HydrophobicContact CD1-CD1 4.25Å; L82-L232 HydrophobicContact CD2-CD1 4.05Å; L140-L232 HydrophobicContact CD1-CD2 4.29Å; V226-L232 HydrophobicContact CG1-CD1 4.16Å; V226-L232 HydrophobicContact CG1-CD2 3.96Å; V226-L232 HydrophobicContact CG1-CG 3.81Å; V226-L232 HydrophobicContact CG2-CD2 4.25Å; I229-L232 HydrophobicContact CD1-CD1 3.92Å; I229-L232 WeakPolarHBondContact O-CB 3.24Å; I229-L232 PolarHBondContact O-N 2.78Å; G230-L232 PolarHBondContact O-N 2.74Å; L232-A234 VanDerWaalsContact C-N 3.31Å; L232-A234 PolarHBondContact O-N 2.96Å; L232-L235 HydrophobicContact CD2-CD2 4.38Å; L232-L235 WeakPolarHBondContact O-CA 3.23Å; L232-L235 WeakPolarHBondContact O-CB 3.27Å; L232-L235 PolarHBondContact O-N 3.24Å; L232-V236 HydrophobicContact CB-CG2 4.27Å; L232-V236 WeakPolarHBondContact O-CG2 3.1Å; L232-V236 PolarHBondContact O-N 2.94Å; L232-V245 HydrophobicContact CD1-CG1 4.49Å
233	R	97.6	Very high	96.1	Very high	123 Å²	123	40.1 Å²	40.1	46%	0.464	21%	0.208	S	C	.	.	H	α-helix	trans	-50	-49.2	-173.8	176.9	173.3	179.8	167.9	9.4	112.8	G230 L235 V236 E237 W308	G230-R233 VanDerWaalsContact O-CB 3.29Å; G230-R233 WeakPolarHBondContact O-CB 3.4Å; G230-R233 PolarHBondContact O-N 3.43Å; R233-L235 PolarHBondContact O-N 2.79Å; R233-V236 PolarHBondContact O-N 3.15Å; R233-V236 VanDerWaalsContact O-N 3.08Å; R233-E237 HydrophobicContact CG-CG 4.36Å; R233-E237 WeakPolarHBondContact CG-OE2 3.27Å; R233-E237 IonicContact CZ-OE1 2.71Å; R233-E237 IonicContact CZ-OE2 3.1Å; R233-E237 IonicContact NE-OE1 3.95Å; R233-E237 PolarHBondContact NE-OE1 3.33Å; R233-E237 IonicContact NE-OE2 3.03Å; R233-E237 PolarHBondContact NE-OE2 2.76Å; R233-E237 IonicContact NH2-OE1 3.93Å; R233-E237 PolarHBondContact NH2-OE1 3.05Å; R233-E237 VanDerWaalsContact NH2-OE1 3.1Å; R233-E237 IonicContact NH2-OE2 2.81Å; R233-E237 PolarHBondContact O-N 2.93Å; R233-W308 HydrophobicContact CB-CD2 4.45Å; R233-W308 HydrophobicContact CB-CE3 4.31Å; R233-W308 HydrophobicContact CB-CH2 4.12Å; R233-W308 HydrophobicContact CB-CZ2 4.27Å; R233-W308 HydrophobicContact CB-CZ3 4.12Å; R233-W308 HydrophobicContact CG-CD2 4Å; R233-W308 HydrophobicContact CG-CE3 4.2Å; R233-W308 HydrophobicContact CG-CG 4.37Å; R233-W308 HydrophobicContact CG-CZ3 4.5Å
234	A	96.8	Very high	96.1	Very high	49 Å²	49	41.9 Å²	41.9	41%	0.405	22%	0.216	S	C	.	.	H	α-helix	trans	-63.5	-25.2	179.7	0	0	0	0	0	113.9	L232	L232-A234 VanDerWaalsContact C-N 3.31Å; L232-A234 PolarHBondContact O-N 2.96Å
235	L	97	Very high	96.3	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-82	-36.7	174.3	-167	71.9	0	0	0	111.1	L140 R141 Y144 L232 R233 D238 L241 I243	L140-L235 HydrophobicContact CB-CD2 3.89Å; L140-L235 HydrophobicContact CD1-CD2 3.99Å; R141-L235 HydrophobicContact CB-CD1 3.96Å; Y144-L235 HydrophobicContact CD2-CD2 4.47Å; Y144-L235 HydrophobicContact CE2-CD2 4.06Å; L232-L235 HydrophobicContact CD2-CD2 4.38Å; L232-L235 WeakPolarHBondContact O-CA 3.23Å; L232-L235 WeakPolarHBondContact O-CB 3.27Å; L232-L235 PolarHBondContact O-N 3.24Å; R233-L235 PolarHBondContact O-N 2.79Å; L235-D238 WeakPolarHBondContact O-CB 3.27Å; L235-D238 PolarHBondContact O-N 3.23Å; L235-L241 HydrophobicContact CD1-CD1 3.36Å; L235-L241 HydrophobicContact CG-CD1 3.85Å; L235-I243 HydrophobicContact CD2-CD1 3.77Å; L235-I243 HydrophobicContact CG-CD1 4.02Å
236	V	97.6	Very high	96.6	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-73	-34.7	-180	179.1	0	0	0	0	113.2	L232 R233 D238 I243 V245 W308 L309 K312	L232-V236 HydrophobicContact CB-CG2 4.27Å; L232-V236 WeakPolarHBondContact O-CG2 3.1Å; L232-V236 PolarHBondContact O-N 2.94Å; R233-V236 PolarHBondContact O-N 3.15Å; R233-V236 VanDerWaalsContact O-N 3.08Å; V236-D238 VanDerWaalsContact C-N 3.33Å; V236-I243 HydrophobicContact CB-CG2 4.17Å; V236-I243 HydrophobicContact CG1-CG2 4.27Å; V236-I243 HydrophobicContact CG2-CG2 4.09Å; V236-V245 HydrophobicContact CG2-CG2 3.93Å; V236-W308 HydrophobicContact CB-CE3 3.82Å; V236-W308 HydrophobicContact CB-CZ3 3.87Å; V236-W308 HydrophobicContact CG1-CE3 3.73Å; V236-W308 HydrophobicContact CG1-CZ3 4.07Å; V236-W308 WeakPolarHBondContact CG1-O 3.12Å; V236-W308 HydrophobicContact CG2-CE3 4.45Å; V236-W308 HydrophobicContact CG2-CZ3 4.01Å; V236-L309 HydrophobicContact CG1-CD2 4.31Å; V236-K312 HydrophobicContact CG1-CB 4.39Å; V236-K312 HydrophobicContact CG1-CD 3.63Å; V236-K312 PolarHBondContact O-NZ 3.44Å
237	E	96.6	Very high	96.7	Very high	88 Å²	88	38.5 Å²	38.5	41%	0.411	20%	0.2	S	C	.	.	S	Bend	trans	-81.8	-8.3	175.3	-70.1	178.8	138.2	0	0	112.9	R233 P239 W308	R233-E237 HydrophobicContact CG-CG 4.36Å; R233-E237 WeakPolarHBondContact CG-OE2 3.27Å; R233-E237 IonicContact CZ-OE1 2.71Å; R233-E237 IonicContact CZ-OE2 3.1Å; R233-E237 IonicContact NE-OE1 3.95Å; R233-E237 PolarHBondContact NE-OE1 3.33Å; R233-E237 IonicContact NE-OE2 3.03Å; R233-E237 PolarHBondContact NE-OE2 2.76Å; R233-E237 IonicContact NH2-OE1 3.93Å; R233-E237 PolarHBondContact NH2-OE1 3.05Å; R233-E237 VanDerWaalsContact NH2-OE1 3.1Å; R233-E237 IonicContact NH2-OE2 2.81Å; R233-E237 PolarHBondContact O-N 2.93Å; E237-P239 VanDerWaalsContact O-CD 3.3Å; E237-P239 WeakPolarHBondContact O-CD 3.25Å; E237-P239 VanDerWaalsContact O-N 3.16Å; E237-W308 HydrophobicContact CG-CB 3.67Å; E237-W308 HydrophobicContact CG-CG 4.46Å; E237-W308 WeakPolarHBondContact OE1-CB 3.33Å
238	D	96.4	Very high	97	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.053	20%	0.196	C	C	.	.			trans	-64.8	114.1	-179.5	-166.8	-37.9	0	0	0	110.4	R141 L235 V236 R240 L241	R141-D238 IonicContact CZ-OD2 2.89Å; R141-D238 IonicContact NE-OD2 3.31Å; R141-D238 PolarHBondContact NE-OD2 2.82Å; R141-D238 IonicContact NH2-OD2 3.78Å; R141-D238 PolarHBondContact NH2-OD2 3.12Å; L235-D238 WeakPolarHBondContact O-CB 3.27Å; L235-D238 PolarHBondContact O-N 3.23Å; V236-D238 VanDerWaalsContact C-N 3.33Å; D238-R240 PolarHBondContact O-N 3.04Å; D238-R240 VanDerWaalsContact OD1-CB 3.31Å; D238-R240 WeakPolarHBondContact OD1-CB 3.41Å; D238-R240 IonicContact OD1-CZ 3.1Å; D238-R240 PolarHBondContact OD1-N 3.2Å; D238-R240 IonicContact OD1-NE 3.33Å; D238-R240 PolarHBondContact OD1-NE 2.87Å; D238-R240 IonicContact OD1-NH2 3.67Å; D238-R240 IonicContact OD2-CZ 2.67Å; D238-R240 IonicContact OD2-NE 3.48Å; D238-R240 IonicContact OD2-NH2 3.26Å; D238-R240 PolarHBondContact OD2-NH2 2.95Å; D238-L241 HydrophobicContact CB-CB 4.49Å; D238-L241 HydrophobicContact CB-CD1 4.28Å; D238-L241 HydrophobicContact CB-CG 4.31Å; D238-L241 PolarHBondContact O-N 2.73Å
239	P	94.6	Very high	97.1	Very high	106 Å²	106	35.8 Å²	35.8	69%	0.688	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-3.7	-174	31	-37.2	0	0	0	112.9	R75 E237	R75-P239 VanDerWaalsContact CZ-O 3.23Å; R75-P239 PolarHBondContact NH1-O 3.26Å; R75-P239 VanDerWaalsContact NH2-C 3.26Å; R75-P239 PolarHBondContact NH2-O 3.18Å; E237-P239 VanDerWaalsContact O-CD 3.3Å; E237-P239 WeakPolarHBondContact O-CD 3.25Å; E237-P239 VanDerWaalsContact O-N 3.16Å
240	R	93.8	Very high	97.1	Very high	161 Å²	161	36.2 Å²	36.2	61%	0.608	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-15.8	172.1	-57.8	170.1	-64.3	177.5	-1	112.8	R75 R141 D238	R75-R240 VanDerWaalsContact NH2-CA 3.25Å; R75-R240 PolarHBondContact NH2-O 3.48Å; R141-R240 VanDerWaalsContact NE-NH2 3.18Å; D238-R240 PolarHBondContact O-N 3.04Å; D238-R240 VanDerWaalsContact OD1-CB 3.31Å; D238-R240 WeakPolarHBondContact OD1-CB 3.41Å; D238-R240 IonicContact OD1-CZ 3.1Å; D238-R240 PolarHBondContact OD1-N 3.2Å; D238-R240 IonicContact OD1-NE 3.33Å; D238-R240 PolarHBondContact OD1-NE 2.87Å; D238-R240 IonicContact OD1-NH2 3.67Å; D238-R240 IonicContact OD2-CZ 2.67Å; D238-R240 IonicContact OD2-NE 3.48Å; D238-R240 IonicContact OD2-NH2 3.26Å; D238-R240 PolarHBondContact OD2-NH2 2.95Å
241	L	95.9	Very high	97.1	Very high	13 Å²	13	34.8 Å²	34.8	7%	0.068	17%	0.172	C	C	.	.			trans	-106.6	122.9	176.8	-58.2	179.1	0	0	0	112.4	R75 Y144 L235 D238 I243	R75-L241 VanDerWaalsContact NH2-C 3.31Å; Y144-L241 HydrophobicContact CD2-CD1 4.41Å; L235-L241 HydrophobicContact CD1-CD1 3.36Å; L235-L241 HydrophobicContact CG-CD1 3.85Å; D238-L241 HydrophobicContact CB-CB 4.49Å; D238-L241 HydrophobicContact CB-CD1 4.28Å; D238-L241 HydrophobicContact CB-CG 4.31Å; D238-L241 PolarHBondContact O-N 2.73Å; L241-I243 VanDerWaalsContact C-N 3.34Å; L241-I243 HydrophobicContact CB-CB 4.42Å; L241-I243 PolarHBondContact O-N 3.3Å
242	N	97	Very high	97.2	Very high	56 Å²	56	32 Å²	32	30%	0.299	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	77.3	163.8	179.2	18.6	0	0	0	109.4	R75 H78	R75-N242 HydrophobicContact CG-CB 4.11Å; H78-N242 PolarHBondContact N-O 3.08Å; H78-N242 PolarHBondContact ND1-N 3.26Å; H78-N242 VanDerWaalsContact ND1-N 3.12Å; H78-N242 PolarHBondContact ND1-O 3.41Å
243	I	97.4	Very high	97.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	133.4	-171.8	-168.2	172.4	0	0	0	113.3	H78 L80 Y144 L235 V236 L241 K312	H78-I243 HydrophobicContact CB-CB 4.12Å; H78-I243 HydrophobicContact CB-CG1 4.23Å; H78-I243 CarbonylContact O-C 3.59Å; H78-I243 VanDerWaalsContact O-CA 3.23Å; H78-I243 WeakPolarHBondContact O-CA 3.4Å; L80-I243 HydrophobicContact CB-CD1 4.25Å; Y144-I243 HydrophobicContact CD2-CD1 4.49Å; Y144-I243 HydrophobicContact CE2-CD1 3.79Å; L235-I243 HydrophobicContact CD2-CD1 3.77Å; L235-I243 HydrophobicContact CG-CD1 4.02Å; V236-I243 HydrophobicContact CB-CG2 4.17Å; V236-I243 HydrophobicContact CG1-CG2 4.27Å; V236-I243 HydrophobicContact CG2-CG2 4.09Å; L241-I243 VanDerWaalsContact C-N 3.34Å; L241-I243 HydrophobicContact CB-CB 4.42Å; L241-I243 PolarHBondContact O-N 3.3Å; I243-K312 WeakPolarHBondContact O-CG 3.44Å
244	K	98.3	Very high	97.2	Very high	37 Å²	37	25.9 Å²	25.9	16%	0.161	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.2	167.2	-69	-173.6	176.7	177.6	0	109.6	L77 H78 I79 L80 K312 F335 L336	L77-K244 HydrophobicContact CD1-CB 4.45Å; L77-K244 HydrophobicContact CD1-CD 3.96Å; L77-K244 HydrophobicContact CD1-CG 3.95Å; H78-K244 PolarHBondContact O-N 2.99Å; I79-K244 WeakPolarHBondContact CA-O 2.97Å; L80-K244 PolarHBondContact N-O 2.91Å; K244-K312 CarbonylContact C-O 3.54Å; K244-K312 WeakPolarHBondContact CA-O 3.44Å; K244-F335 HydrophobicContact CB-CE1 4.01Å; K244-F335 HydrophobicContact CB-CZ 4.11Å; K244-F335 HydrophobicContact CD-CE1 4.1Å; K244-F335 HydrophobicContact CD-CZ 4.06Å; K244-F335 HydrophobicContact CG-CE1 4.47Å; K244-F335 HydrophobicContact CG-CZ 4.26Å; K244-F335 PolarHBondContact NZ-O 3.23Å; K244-L336 HydrophobicContact CB-CD2 3.98Å; K244-L336 HydrophobicContact CD-CD2 3.98Å; K244-L336 PolarHBondContact NZ-O 3.17Å
245	V	98.6	Very high	97.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.2	-178.6	-171.8	0	0	0	0	110.1	L80 L82 I229 L232 V236 K312 Y313 M314	L80-V245 HydrophobicContact CB-CG1 4.4Å; L80-V245 HydrophobicContact CB-CG2 4.26Å; L80-V245 HydrophobicContact CD2-CG1 4.26Å; L80-V245 HydrophobicContact CD2-CG2 4.39Å; L80-V245 CarbonylContact O-C 3.54Å; L80-V245 WeakPolarHBondContact O-CA 3.35Å; L82-V245 HydrophobicContact CB-CG1 3.97Å; I229-V245 HydrophobicContact CD1-CB 4.04Å; I229-V245 HydrophobicContact CD1-CG1 3.62Å; I229-V245 HydrophobicContact CD1-CG2 4.14Å; L232-V245 HydrophobicContact CD1-CG1 4.49Å; V236-V245 HydrophobicContact CG2-CG2 3.93Å; V245-K312 PolarHBondContact N-O 3.28Å; V245-Y313 HydrophobicContact CB-CD2 4.42Å; V245-Y313 WeakPolarHBondContact O-CA 3.47Å; V245-M314 PolarHBondContact O-N 3.11Å
246	I	98.6	Very high	97.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	106.5	169.7	-59.3	165.4	0	0	0	107	I79 L80 V81 L82 L248 M314 V316 I332 F335 L336	I79-I246 HydrophobicContact CG2-CD1 3.98Å; L80-I246 PolarHBondContact O-N 3.23Å; V81-I246 WeakPolarHBondContact CA-O 3.36Å; L82-I246 PolarHBondContact N-O 2.92Å; I246-L248 HydrophobicContact CG2-CD2 4.48Å; I246-M314 CarbonylContact C-O 3.01Å; I246-M314 WeakPolarHBondContact CA-O 3.33Å; I246-V316 HydrophobicContact CG2-CB 4.32Å; I246-V316 HydrophobicContact CG2-CG2 3.81Å; I246-I332 HydrophobicContact CD1-CG2 3.61Å; I246-F335 HydrophobicContact CG1-CE1 4.35Å; I246-L336 HydrophobicContact CD1-CD1 4.25Å; I246-L336 HydrophobicContact CD1-CD2 4.3Å; I246-L336 HydrophobicContact CD1-CG 4.5Å
247	Q	98.3	Very high	97.1	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.019	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	122.5	175.5	-179.7	172.8	-13.4	0	0	110.4	L82 S298 Y313 M314 L315 V316	L82-Q247 HydrophobicContact CD2-CB 4.47Å; L82-Q247 HydrophobicContact CD2-CG 4.18Å; L82-Q247 HydrophobicContact CG-CG 4.46Å; L82-Q247 CarbonylContact O-C 3.58Å; L82-Q247 WeakPolarHBondContact O-CA 3.25Å; Q247-S298 PolarHBondContact NE2-OG 3Å; Q247-S298 PolarHBondContact OE1-OG 3.15Å; Q247-Y313 HydrophobicContact CB-CE2 3.64Å; Q247-Y313 VanDerWaalsContact CD-OH 3.29Å; Q247-Y313 VanDerWaalsContact OE1-CE2 3.29Å; Q247-Y313 PolarHBondContact OE1-OH 3.47Å; Q247-M314 PolarHBondContact N-O 3.41Å; Q247-L315 HydrophobicContact CB-CD1 4.05Å; Q247-L315 HydrophobicContact CG-CD1 3.89Å; Q247-V316 PolarHBondContact O-N 2.99Å
248	L	98	Very high	97.1	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.01	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.1	176.7	-66.4	171.3	0	0	0	111.9	V81 L82 A83 S89 V92 I246 V316	V81-L248 HydrophobicContact CG1-CD1 3.56Å; V81-L248 HydrophobicContact CG1-CG 4.19Å; L82-L248 PolarHBondContact O-N 3.29Å; A83-L248 HydrophobicContact CB-CB 4.17Å; A83-L248 HydrophobicContact CB-CD1 4.28Å; S89-L248 VanDerWaalsContact CA-CD1 3.46Å; V92-L248 HydrophobicContact CB-CD1 3.8Å; V92-L248 HydrophobicContact CG1-CD1 4.16Å; V92-L248 HydrophobicContact CG2-CD1 3.7Å; V92-L248 HydrophobicContact CG2-CD2 3.72Å; V92-L248 HydrophobicContact CG2-CG 4.36Å; I246-L248 HydrophobicContact CG2-CD2 4.48Å; L248-V316 WeakPolarHBondContact CA-O 3.41Å; L248-V316 HydrophobicContact CD2-CB 3.7Å; L248-V316 HydrophobicContact CD2-CG1 3.72Å
249	V	97.6	Very high	97	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	152.9	172.7	-67.2	0	0	0	0	110.6	F295 V299 L315 V316 R317 Y318 L400	V249-F295 HydrophobicContact CG1-CE1 4.49Å; V249-V299 HydrophobicContact CG1-CG2 3.71Å; V249-L315 HydrophobicContact CB-CD1 4.43Å; V249-L315 HydrophobicContact CG1-CD1 3.66Å; V249-L315 HydrophobicContact CG2-CD1 3.93Å; V249-L315 HydrophobicContact CG2-CG 4.26Å; V249-V316 PolarHBondContact N-O 2.96Å; V249-R317 HydrophobicContact CG2-CB 4.07Å; V249-R317 HydrophobicContact CG2-CG 4.45Å; V249-Y318 WeakPolarHBondContact O-CB 3.34Å; V249-Y318 PolarHBondContact O-N 3.1Å; V249-L400 HydrophobicContact CB-CD1 3.78Å; V249-L400 HydrophobicContact CB-CD2 4.23Å; V249-L400 HydrophobicContact CG1-CD1 4.21Å; V249-L400 HydrophobicContact CG1-CD2 4.33Å; V249-L400 HydrophobicContact CG2-CD1 4.09Å; V249-L400 HydrophobicContact CG2-CD2 3.82Å
250	R	97.5	Very high	97	Very high	10 Å²	10	15 Å²	15	4%	0.038	7%	0.067	C	C	.	.			trans	-149.1	154.8	-178.6	-179.1	176.5	-174.8	-178.3	7.1	109.3	R86 P252 I255 F295 Y318 E319 Y402	R86-R250 WeakPolarHBondContact O-CD 3.45Å; R86-R250 PolarHBondContact O-NH1 3.21Å; R250-P252 VanDerWaalsContact O-CD 3.26Å; R250-P252 WeakPolarHBondContact O-CD 3.29Å; R250-I255 HydrophobicContact CB-CD1 4.04Å; R250-I255 HydrophobicContact CB-CG1 4.03Å; R250-I255 HydrophobicContact CG-CG1 4.04Å; R250-F295 WeakPolarHBondContact O-CE2 3.47Å; R250-Y318 HydrophobicContact CB-CD1 4.5Å; R250-Y318 HydrophobicContact CB-CG 4.33Å; R250-Y318 HydrophobicContact CG-CD1 3.66Å; R250-Y318 HydrophobicContact CG-CG 3.95Å; R250-Y318 VanDerWaalsContact CZ-CE1 3.49Å; R250-Y318 VanDerWaalsContact NE-CD1 3.33Å; R250-E319 VanDerWaalsContact CG-OE1 3.3Å; R250-E319 WeakPolarHBondContact CG-OE1 3.44Å; R250-Y402 WeakPolarHBondContact CA-OH 3.45Å
251	D	98.1	Very high	96.9	Very high	3 Å²	3	11.3 Å²	11.3	2%	0.016	6%	0.056	C	C	.	.			trans	-53.8	119.2	172.6	-168.7	-40.4	0	0	0	110.6	R253 G254 I255 E319 Y402	D251-R253 PolarHBondContact O-N 3.04Å; D251-R253 WeakPolarHBondContact OD1-CB 3.44Å; D251-R253 WeakPolarHBondContact OD1-CG 3.32Å; D251-R253 IonicContact OD1-CZ 2.79Å; D251-R253 PolarHBondContact OD1-N 2.93Å; D251-R253 IonicContact OD1-NE 3.04Å; D251-R253 PolarHBondContact OD1-NE 3.19Å; D251-R253 IonicContact OD1-NH2 3.11Å; D251-R253 IonicContact OD2-CZ 3.92Å; D251-R253 VanDerWaalsContact OD2-CZ 3.31Å; D251-R253 IonicContact OD2-NE 3.3Å; D251-R253 PolarHBondContact OD2-NE 2.81Å; D251-R253 VanDerWaalsContact OD2-NE 3.1Å; D251-R253 IonicContact OD2-NH2 3.72Å; D251-R253 PolarHBondContact OD2-NH2 2.9Å; D251-G254 WeakPolarHBondContact O-CA 3.28Å; D251-G254 PolarHBondContact O-N 2.6Å; D251-I255 PolarHBondContact O-N 2.9Å; D251-E319 WeakPolarHBondContact CB-OE1 3.3Å; D251-E319 PolarHBondContact N-OE1 3.17Å; D251-Y402 HydrophobicContact CB-CD1 4.12Å; D251-Y402 HydrophobicContact CB-CD2 4.5Å; D251-Y402 HydrophobicContact CB-CE1 3.87Å; D251-Y402 HydrophobicContact CB-CE2 4.25Å; D251-Y402 HydrophobicContact CB-CG 4.45Å; D251-Y402 VanDerWaalsContact N-CZ 3.34Å; D251-Y402 PolarHBondContact N-OH 2.97Å; D251-Y402 VanDerWaalsContact N-OH 3.09Å
252	P	97.9	Very high	96.5	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.006	6%	0.058	C	C	.	.	H	α-helix	trans	-54	-30.8	176.5	-28.4	35.9	0	0	0	114.3	R250 I255 L256 C393 V396 L397	R250-P252 VanDerWaalsContact O-CD 3.26Å; R250-P252 WeakPolarHBondContact O-CD 3.29Å; P252-I255 PolarHBondContact O-N 3.08Å; P252-L256 WeakPolarHBondContact O-CB 3.47Å; P252-L256 PolarHBondContact O-N 2.9Å; P252-C393 HydrophobicContact CB-CB 4.17Å; P252-C393 HydrophobicContact CG-CB 4.19Å; P252-V396 HydrophobicContact CG-CG1 3.91Å; P252-L397 HydrophobicContact CG-CD2 4.29Å
253	R	98	Very high	96.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-66	-42.1	174.7	-58.8	169.8	-73.3	-165.2	5.8	110.7	D251 L256 S257 W377 T389 K403	D251-R253 PolarHBondContact O-N 3.04Å; D251-R253 WeakPolarHBondContact OD1-CB 3.44Å; D251-R253 WeakPolarHBondContact OD1-CG 3.32Å; D251-R253 IonicContact OD1-CZ 2.79Å; D251-R253 PolarHBondContact OD1-N 2.93Å; D251-R253 IonicContact OD1-NE 3.04Å; D251-R253 PolarHBondContact OD1-NE 3.19Å; D251-R253 IonicContact OD1-NH2 3.11Å; D251-R253 IonicContact OD2-CZ 3.92Å; D251-R253 VanDerWaalsContact OD2-CZ 3.31Å; D251-R253 IonicContact OD2-NE 3.3Å; D251-R253 PolarHBondContact OD2-NE 2.81Å; D251-R253 VanDerWaalsContact OD2-NE 3.1Å; D251-R253 IonicContact OD2-NH2 3.72Å; D251-R253 PolarHBondContact OD2-NH2 2.9Å; R253-L256 PolarHBondContact O-N 2.86Å; R253-S257 WeakPolarHBondContact O-CB 3.41Å; R253-S257 PolarHBondContact O-N 3.14Å; R253-W377 HydrophobicContact CB-CD2 4Å; R253-W377 HydrophobicContact CB-CE3 3.76Å; R253-W377 HydrophobicContact CB-CH2 4.17Å; R253-W377 HydrophobicContact CB-CZ2 4.38Å; R253-W377 HydrophobicContact CB-CZ3 3.86Å; R253-W377 HydrophobicContact CG-CZ3 4.36Å; R253-T389 HydrophobicContact CB-CG2 4.44Å; R253-T389 HydrophobicContact CG-CG2 3.73Å; R253-K403 PolarHBondContact NH1-O 3.26Å; R253-K403 PolarHBondContact NH2-O 3.48Å
254	G	97.1	Very high	95.5	Very high	1 Å²	1	19 Å²	19	1%	0.01	8%	0.083	C	C	.	.	H	α-helix	trans	-64.1	-41.9	173.1	0	0	0	0	0	113	D251 S258	D251-G254 WeakPolarHBondContact O-CA 3.28Å; D251-G254 PolarHBondContact O-N 2.6Å; G254-S258 WeakPolarHBondContact O-CB 3.37Å; G254-S258 PolarHBondContact O-N 2.89Å; G254-S258 VanDerWaalsContact O-N 3.12Å
255	I	96.8	Very high	94.9	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-60.7	-51.8	174.1	-65.7	170.7	0	0	0	110	T84 R250 D251 P252 S257 S258 R259 I291 F295	T84-I255 HydrophobicContact CG2-CD1 3.8Å; R250-I255 HydrophobicContact CB-CD1 4.04Å; R250-I255 HydrophobicContact CB-CG1 4.03Å; R250-I255 HydrophobicContact CG-CG1 4.04Å; D251-I255 PolarHBondContact O-N 2.9Å; P252-I255 PolarHBondContact O-N 3.08Å; I255-S257 PolarHBondContact O-N 2.67Å; I255-S258 PolarHBondContact O-N 3.21Å; I255-R259 HydrophobicContact CG2-CG 4.17Å; I255-R259 WeakPolarHBondContact O-CG 3.39Å; I255-R259 PolarHBondContact O-N 3.44Å; I255-I291 HydrophobicContact CD1-CG2 4.25Å; I255-I291 HydrophobicContact CG2-CD1 4.17Å; I255-F295 HydrophobicContact CD1-CE2 3.6Å; I255-F295 HydrophobicContact CD1-CZ 3.86Å
256	L	96.9	Very high	94.3	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.026	14%	0.135	C	C	.	.	H	α-helix	trans	-57.6	-52	-178.7	177.7	63.5	0	0	0	111.2	P252 R253 S258 R259 I260 Y267 W270 I385 T389	P252-L256 WeakPolarHBondContact O-CB 3.47Å; P252-L256 PolarHBondContact O-N 2.9Å; R253-L256 PolarHBondContact O-N 2.86Å; L256-S258 PolarHBondContact O-N 3.2Å; L256-R259 PolarHBondContact O-N 2.82Å; L256-I260 HydrophobicContact CD1-CD1 3.95Å; L256-I260 HydrophobicContact CD1-CG1 4.05Å; L256-I260 HydrophobicContact CD2-CD1 4.45Å; L256-I260 HydrophobicContact CG-CD1 3.79Å; L256-I260 HydrophobicContact CG-CG1 4.32Å; L256-I260 VanDerWaalsContact O-CG1 3.27Å; L256-I260 WeakPolarHBondContact O-CG1 3.42Å; L256-I260 PolarHBondContact O-N 2.94Å; L256-Y267 HydrophobicContact CD1-CD1 4.13Å; L256-Y267 HydrophobicContact CD1-CE1 3.92Å; L256-W270 HydrophobicContact CD1-CD2 4.03Å; L256-W270 HydrophobicContact CD1-CE3 4.12Å; L256-W270 HydrophobicContact CD1-CH2 4.45Å; L256-W270 HydrophobicContact CD1-CZ2 4.4Å; L256-W270 HydrophobicContact CD1-CZ3 4.34Å; L256-W270 HydrophobicContact CD2-CE3 3.99Å; L256-W270 HydrophobicContact CD2-CH2 4Å; L256-W270 HydrophobicContact CD2-CZ3 3.62Å; L256-I385 HydrophobicContact CD2-CG2 3.98Å; L256-T389 HydrophobicContact CD2-CG2 4.19Å; L256-T389 WeakPolarHBondContact CD2-OG1 3.41Å
257	S	96.8	Very high	93.9	Very high	2 Å²	2	28 Å²	28	1%	0.014	14%	0.137	C	C	.	.	H	α-helix	trans	-52.1	-46	177	-174.3	0	0	0	0	111.8	R253 I255 R259 E261	R253-S257 WeakPolarHBondContact O-CB 3.41Å; R253-S257 PolarHBondContact O-N 3.14Å; I255-S257 PolarHBondContact O-N 2.67Å; S257-R259 PolarHBondContact O-N 2.83Å; S257-E261 PolarHBondContact O-N 3.27Å
258	S	94.9	Very high	93.7	Very high	13 Å²	13	35.8 Å²	35.8	9%	0.091	17%	0.166	C	C	.	.	H	α-helix	trans	-69.3	-35	-179.6	-157.2	0	0	0	0	113.2	R86 G254 I255 L256 E261 T262	R86-S258 VanDerWaalsContact CZ-OG 3.24Å; R86-S258 PolarHBondContact NE-OG 2.91Å; R86-S258 PolarHBondContact NH2-OG 3.08Å; G254-S258 WeakPolarHBondContact O-CB 3.37Å; G254-S258 PolarHBondContact O-N 2.89Å; G254-S258 VanDerWaalsContact O-N 3.12Å; I255-S258 PolarHBondContact O-N 3.21Å; L256-S258 PolarHBondContact O-N 3.2Å; S258-E261 PolarHBondContact O-N 2.88Å; S258-T262 VanDerWaalsContact O-CB 3.29Å; S258-T262 WeakPolarHBondContact O-CB 3.47Å; S258-T262 PolarHBondContact O-N 3.09Å; S258-T262 PolarHBondContact O-OG1 2.91Å
259	R	94.4	Very high	93.5	Very high	6 Å²	6	37.3 Å²	37.3	2%	0.023	17%	0.174	C	C	.	.	H	α-helix	trans	-71.9	-40.1	177.2	-71.1	-169.4	-178.2	-171.4	3.4	112.3	T84 T85 R86 I255 L256 S257 E261 T262 F263 Y267	T84-R259 PolarHBondContact OG1-NH2 3.18Å; T85-R259 PolarHBondContact O-NE 3.26Å; T85-R259 VanDerWaalsContact O-NE 3.14Å; T85-R259 PolarHBondContact O-NH2 3.48Å; R86-R259 HydrophobicContact CB-CG 4.37Å; R86-R259 HydrophobicContact CG-CG 3.72Å; I255-R259 HydrophobicContact CG2-CG 4.17Å; I255-R259 WeakPolarHBondContact O-CG 3.39Å; I255-R259 PolarHBondContact O-N 3.44Å; L256-R259 PolarHBondContact O-N 2.82Å; S257-R259 PolarHBondContact O-N 2.83Å; R259-E261 PolarHBondContact O-N 2.87Å; R259-T262 PolarHBondContact O-N 3.37Å; R259-T262 VanDerWaalsContact O-N 3.13Å; R259-F263 HydrophobicContact CB-CD2 3.97Å; R259-F263 HydrophobicContact CB-CE2 4.43Å; R259-F263 HydrophobicContact CG-CD2 3.99Å; R259-F263 HydrophobicContact CG-CE2 3.95Å; R259-F263 PolarHBondContact O-N 3.26Å; R259-Y267 HydrophobicContact CB-CD1 4.17Å; R259-Y267 HydrophobicContact CB-CD2 4.24Å; R259-Y267 HydrophobicContact CB-CE1 3.74Å; R259-Y267 HydrophobicContact CB-CE2 3.85Å; R259-Y267 HydrophobicContact CB-CG 4.42Å; R259-Y267 WeakPolarHBondContact CD-OH 3.38Å; R259-Y267 PolarHBondContact NH1-OH 2.96Å
260	I	94.3	Very high	93.4	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-55.5	-39.7	173	-68.3	172.4	0	0	0	110.9	L256 Y267 W270 R271 R274 L381	L256-I260 HydrophobicContact CD1-CD1 3.95Å; L256-I260 HydrophobicContact CD1-CG1 4.05Å; L256-I260 HydrophobicContact CD2-CD1 4.45Å; L256-I260 HydrophobicContact CG-CD1 3.79Å; L256-I260 HydrophobicContact CG-CG1 4.32Å; L256-I260 VanDerWaalsContact O-CG1 3.27Å; L256-I260 WeakPolarHBondContact O-CG1 3.42Å; L256-I260 PolarHBondContact O-N 2.94Å; I260-Y267 HydrophobicContact CG1-CD1 4.02Å; I260-W270 HydrophobicContact CD1-CB 3.81Å; I260-W270 HydrophobicContact CD1-CE3 4.37Å; I260-W270 HydrophobicContact CD1-CG 4.47Å; I260-W270 HydrophobicContact CG1-CB 3.7Å; I260-W270 HydrophobicContact CG1-CG 4.42Å; I260-R271 HydrophobicContact CG2-CB 4.4Å; I260-R271 HydrophobicContact CG2-CG 3.49Å; I260-R271 VanDerWaalsContact CG2-CG 3.49Å; I260-R271 WeakPolarHBondContact O-CD 3.35Å; I260-R271 WeakPolarHBondContact O-CG 3.23Å; I260-R274 VanDerWaalsContact CG2-CZ 3.47Å; I260-L381 HydrophobicContact CD1-CD2 4.13Å
261	E	91.8	Very high	93.3	Very high	83 Å²	83	41.8 Å²	41.8	39%	0.388	19%	0.191	S	C	.	.	H	α-helix	trans	-77.4	-33	178.4	-171.7	174.7	179.5	0	0	113.3	S257 S258 R259 K363 K380	S257-E261 PolarHBondContact O-N 3.27Å; S258-E261 PolarHBondContact O-N 2.88Å; R259-E261 PolarHBondContact O-N 2.87Å; E261-K363 PolarHBondContact O-NZ 3.2Å; E261-K380 IonicContact OE1-NZ 3.67Å; E261-K380 IonicContact OE2-NZ 2.73Å; E261-K380 PolarHBondContact OE2-NZ 3.45Å
262	T	88.5	Confident	93.1	Very high	16 Å²	16	45.2 Å²	45.2	10%	0.098	21%	0.208	C	C	.	.	H	α-helix	trans	-87.8	-46.1	-172.1	-55.3	0	0	0	0	112.9	S258 R259 K363 F364	S258-T262 VanDerWaalsContact O-CB 3.29Å; S258-T262 WeakPolarHBondContact O-CB 3.47Å; S258-T262 PolarHBondContact O-N 3.09Å; S258-T262 PolarHBondContact O-OG1 2.91Å; R259-T262 PolarHBondContact O-N 3.37Å; R259-T262 VanDerWaalsContact O-N 3.13Å; T262-K363 HydrophobicContact CG2-CD 4.41Å; T262-F364 HydrophobicContact CG2-CE1 3.74Å; T262-F364 HydrophobicContact CG2-CE2 4.18Å; T262-F364 HydrophobicContact CG2-CZ 3.41Å; T262-F364 VanDerWaalsContact CG2-CZ 3.41Å
263	F	89.4	Confident	93	Very high	49 Å²	49	45.7 Å²	45.7	22%	0.215	21%	0.21	C	C	.	.			trans	-109.6	105.4	-169.3	-55.6	-58.3	0	0	0	110.1	T85 R86 R259 Y267 F364	T85-F263 HydrophobicContact CG2-CE2 3.86Å; T85-F263 HydrophobicContact CG2-CZ 3.63Å; R86-F263 HydrophobicContact CG-CE2 4.25Å; R259-F263 HydrophobicContact CB-CD2 3.97Å; R259-F263 HydrophobicContact CB-CE2 4.43Å; R259-F263 HydrophobicContact CG-CD2 3.99Å; R259-F263 HydrophobicContact CG-CE2 3.95Å; R259-F263 PolarHBondContact O-N 3.26Å; F263-Y267 HydrophobicContact CB-CD2 3.8Å; F263-Y267 HydrophobicContact CB-CE2 4.23Å; F263-Y267 HydrophobicContact CD2-CD2 4.47Å; F263-Y267 HydrophobicContact CD2-CE2 4.18Å; F263-Y267 WeakPolarHBondContact O-CB 3.05Å; F263-F364 HydrophobicContact CE1-CE1 4.41Å; F263-F364 HydrophobicContact CE1-CZ 4.12Å; F263-F364 HydrophobicContact CZ-CE1 4.35Å
264	R	83.6	Confident	92.9	Very high	166 Å²	166	49.6 Å²	49.6	63%	0.626	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-52.5	-170.6	-66	-171.4	172.8	-172	0.8	112.9	R268	R264-R268 WeakPolarHBondContact O-CA 3.44Å; R264-R268 PolarHBondContact O-N 2.83Å; R264-R268 VanDerWaalsContact O-N 3.12Å
265	D	85.2	Confident	92.8	Very high	138 Å²	138	53.7 Å²	53.7	74%	0.738	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-48.4	-168.4	-46.1	-39.2	0	0	0	112.4	Y267 R268	D265-Y267 PolarHBondContact O-N 3.03Å; D265-Y267 VanDerWaalsContact O-N 3.15Å; D265-R268 WeakPolarHBondContact O-CB 3.31Å; D265-R268 PolarHBondContact O-N 2.99Å
266	P	85.8	Confident	92.8	Very high	78 Å²	78	57.5 Å²	57.5	51%	0.506	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-19.4	-179.5	-18.5	32.5	0	0	0	113.6
267	Y	91.4	Very high	92.7	Very high	9 Å²	9	59 Å²	59	4%	0.035	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	20.8	-179.5	-65.1	-98.9	0	0	0	112.4	L256 R259 I260 F263 D265 L269 W270 R271	L256-Y267 HydrophobicContact CD1-CD1 4.13Å; L256-Y267 HydrophobicContact CD1-CE1 3.92Å; R259-Y267 HydrophobicContact CB-CD1 4.17Å; R259-Y267 HydrophobicContact CB-CD2 4.24Å; R259-Y267 HydrophobicContact CB-CE1 3.74Å; R259-Y267 HydrophobicContact CB-CE2 3.85Å; R259-Y267 HydrophobicContact CB-CG 4.42Å; R259-Y267 WeakPolarHBondContact CD-OH 3.38Å; R259-Y267 PolarHBondContact NH1-OH 2.96Å; I260-Y267 HydrophobicContact CG1-CD1 4.02Å; F263-Y267 HydrophobicContact CB-CD2 3.8Å; F263-Y267 HydrophobicContact CB-CE2 4.23Å; F263-Y267 HydrophobicContact CD2-CD2 4.47Å; F263-Y267 HydrophobicContact CD2-CE2 4.18Å; F263-Y267 WeakPolarHBondContact O-CB 3.05Å; D265-Y267 PolarHBondContact O-N 3.03Å; D265-Y267 VanDerWaalsContact O-N 3.15Å; Y267-L269 PolarHBondContact O-N 2.93Å; Y267-W270 HydrophobicContact CD1-CB 4.44Å; Y267-W270 AromaticContact CD1-CD1 3.82Å; Y267-W270 HydrophobicContact CD1-CG 4.16Å; Y267-W270 WeakPolarHBondContact O-CB 3.3Å; Y267-W270 PolarHBondContact O-N 2.95Å; Y267-R271 WeakPolarHBondContact O-CG 3.42Å; Y267-R271 PolarHBondContact O-N 3.43Å
268	R	92.8	Very high	92.6	Very high	168 Å²	168	68.7 Å²	68.7	63%	0.634	34%	0.335	S	S	*	.	H	α-helix	trans	-55.6	-48.4	-178.3	-172.7	-179.7	75.9	178.2	2.8	112.3	R264 D265 R271 I272	R264-R268 WeakPolarHBondContact O-CA 3.44Å; R264-R268 PolarHBondContact O-N 2.83Å; R264-R268 VanDerWaalsContact O-N 3.12Å; D265-R268 WeakPolarHBondContact O-CB 3.31Å; D265-R268 PolarHBondContact O-N 2.99Å; R268-R271 WeakPolarHBondContact O-CB 3.2Å; R268-R271 PolarHBondContact O-N 3.04Å; R268-I272 HydrophobicContact CG-CD1 4.48Å; R268-I272 WeakPolarHBondContact O-CG1 3.34Å; R268-I272 PolarHBondContact O-N 3.48Å
269	L	94.6	Very high	92.6	Very high	34 Å²	34	75 Å²	75	18%	0.178	36%	0.357	C	S	.	.	H	α-helix	trans	-66.7	-37.1	-179.6	-65.2	-177.8	0	0	0	112.4	Y267 R271 I272 W273 P280 N282 L283	Y267-L269 PolarHBondContact O-N 2.93Å; L269-R271 VanDerWaalsContact C-N 3.31Å; L269-R271 PolarHBondContact O-N 3.35Å; L269-I272 HydrophobicContact CD2-CD1 4.2Å; L269-I272 PolarHBondContact O-N 3.13Å; L269-W273 PolarHBondContact O-N 3.32Å; L269-P280 HydrophobicContact CB-CB 4.47Å; L269-P280 HydrophobicContact CB-CG 4.22Å; L269-P280 HydrophobicContact CD2-CB 4.32Å; L269-P280 HydrophobicContact CD2-CG 4.47Å; L269-N282 WeakPolarHBondContact CD1-O 3.38Å; L269-L283 HydrophobicContact CB-CD1 3.61Å
270	W	95.3	Very high	92.6	Very high	6 Å²	6	75.7 Å²	75.7	2%	0.023	36%	0.362	C	S	.	.	H	α-helix	trans	-62.8	-37.3	172.8	-70.2	96.2	0	0	0	112.5	L256 I260 Y267 W273 R274 L283 D284 M285 L288 I385 F388	L256-W270 HydrophobicContact CD1-CD2 4.03Å; L256-W270 HydrophobicContact CD1-CE3 4.12Å; L256-W270 HydrophobicContact CD1-CH2 4.45Å; L256-W270 HydrophobicContact CD1-CZ2 4.4Å; L256-W270 HydrophobicContact CD1-CZ3 4.34Å; L256-W270 HydrophobicContact CD2-CE3 3.99Å; L256-W270 HydrophobicContact CD2-CH2 4Å; L256-W270 HydrophobicContact CD2-CZ3 3.62Å; I260-W270 HydrophobicContact CD1-CB 3.81Å; I260-W270 HydrophobicContact CD1-CE3 4.37Å; I260-W270 HydrophobicContact CD1-CG 4.47Å; I260-W270 HydrophobicContact CG1-CB 3.7Å; I260-W270 HydrophobicContact CG1-CG 4.42Å; Y267-W270 HydrophobicContact CD1-CB 4.44Å; Y267-W270 AromaticContact CD1-CD1 3.82Å; Y267-W270 HydrophobicContact CD1-CG 4.16Å; Y267-W270 WeakPolarHBondContact O-CB 3.3Å; Y267-W270 PolarHBondContact O-N 2.95Å; W270-W273 AromaticContact CE3-CE3 3.97Å; W270-W273 HydrophobicContact CE3-CE3 3.97Å; W270-W273 HydrophobicContact CE3-CZ3 4.25Å; W270-W273 HydrophobicContact CH2-CZ3 4.36Å; W270-W273 AromaticContact CZ3-CE3 3.91Å; W270-W273 HydrophobicContact CZ3-CE3 3.91Å; W270-W273 AromaticContact CZ3-CZ3 3.7Å; W270-W273 HydrophobicContact CZ3-CZ3 3.7Å; W270-W273 PolarHBondContact O-N 3.38Å; W270-R274 WeakPolarHBondContact O-CB 3.44Å; W270-R274 PolarHBondContact O-N 3.33Å; W270-L283 HydrophobicContact CD2-CD1 3.82Å; W270-L283 HydrophobicContact CD2-CD2 4.21Å; W270-L283 HydrophobicContact CD2-CG 4.38Å; W270-L283 HydrophobicContact CE3-CD1 4.47Å; W270-L283 HydrophobicContact CE3-CD2 4.2Å; W270-L283 HydrophobicContact CG-CD1 3.84Å; W270-L283 HydrophobicContact CH2-CD2 3.95Å; W270-L283 HydrophobicContact CZ2-CD1 4.49Å; W270-L283 HydrophobicContact CZ2-CD2 3.91Å; W270-L283 HydrophobicContact CZ2-CG 4.2Å; W270-L283 HydrophobicContact CZ3-CD2 4.06Å; W270-D284 PolarHBondContact NE1-O 2.61Å; W270-D284 VanDerWaalsContact NE1-O 3.1Å; W270-M285 HydrophobicContact CH2-CE 3.77Å; W270-M285 HydrophobicContact CH2-SD 3.89Å; W270-M285 HydrophobicContact CZ2-CE 3.71Å; W270-M285 HydrophobicContact CZ2-SD 3.5Å; W270-M285 VanDerWaalsContact CZ2-SD 3.5Å; W270-L288 HydrophobicContact CH2-CD2 3.96Å; W270-L288 HydrophobicContact CZ2-CD2 4.32Å; W270-I385 HydrophobicContact CE3-CG2 4.49Å; W270-I385 HydrophobicContact CZ3-CG2 4.22Å; W270-F388 AromaticContact CH2-CD1 3.84Å; W270-F388 HydrophobicContact CH2-CD1 3.84Å; W270-F388 AromaticContact CH2-CE1 3.64Å; W270-F388 HydrophobicContact CH2-CE1 3.64Å; W270-F388 HydrophobicContact CZ2-CE1 4.42Å; W270-F388 HydrophobicContact CZ3-CD1 4.14Å; W270-F388 HydrophobicContact CZ3-CE1 4.26Å
271	R	94.9	Very high	92.5	Very high	97 Å²	97	86.8 Å²	86.8	37%	0.366	41%	0.405	S	S	.	.	H	α-helix	trans	-66.6	-39.1	174.2	-69.4	176.4	67	-168.4	-0.4	112.1	I260 Y267 R268 L269 R274 A275	I260-R271 HydrophobicContact CG2-CB 4.4Å; I260-R271 HydrophobicContact CG2-CG 3.49Å; I260-R271 VanDerWaalsContact CG2-CG 3.49Å; I260-R271 WeakPolarHBondContact O-CD 3.35Å; I260-R271 WeakPolarHBondContact O-CG 3.23Å; Y267-R271 WeakPolarHBondContact O-CG 3.42Å; Y267-R271 PolarHBondContact O-N 3.43Å; R268-R271 WeakPolarHBondContact O-CB 3.2Å; R268-R271 PolarHBondContact O-N 3.04Å; L269-R271 VanDerWaalsContact C-N 3.31Å; L269-R271 PolarHBondContact O-N 3.35Å; R271-R274 PolarHBondContact O-N 3.04Å; R271-A275 WeakPolarHBondContact O-CB 3.28Å; R271-A275 PolarHBondContact O-N 3.12Å
272	I	95.1	Very high	92.5	Very high	76 Å²	76	88.3 Å²	88.3	39%	0.39	42%	0.416	S	S	.	.	H	α-helix	trans	-61.6	-49.7	174.7	-68.6	167.9	0	0	0	109.3	R268 L269 R274 A275 T276 P280	R268-I272 HydrophobicContact CG-CD1 4.48Å; R268-I272 WeakPolarHBondContact O-CG1 3.34Å; R268-I272 PolarHBondContact O-N 3.48Å; L269-I272 HydrophobicContact CD2-CD1 4.2Å; L269-I272 PolarHBondContact O-N 3.13Å; I272-R274 VanDerWaalsContact C-N 3.32Å; I272-R274 PolarHBondContact O-N 3.37Å; I272-A275 PolarHBondContact O-N 3.09Å; I272-T276 HydrophobicContact CG2-CG2 4.14Å; I272-T276 WeakPolarHBondContact O-CG2 3.48Å; I272-T276 PolarHBondContact O-N 3.04Å; I272-T276 PolarHBondContact O-OG1 3.44Å; I272-P280 HydrophobicContact CG2-CG 4.39Å
273	W	96.4	Very high	92.7	Very high	10 Å²	10	88.4 Å²	88.4	4%	0.038	42%	0.416	C	S	.	.	H	α-helix	trans	-55.2	-47.8	176.5	-170.9	1.9	0	0	0	111.7	L269 W270 A275 T276 G277 R278 R279 L283 D384 I385 F388	L269-W273 PolarHBondContact O-N 3.32Å; W270-W273 AromaticContact CE3-CE3 3.97Å; W270-W273 HydrophobicContact CE3-CE3 3.97Å; W270-W273 HydrophobicContact CE3-CZ3 4.25Å; W270-W273 HydrophobicContact CH2-CZ3 4.36Å; W270-W273 AromaticContact CZ3-CE3 3.91Å; W270-W273 HydrophobicContact CZ3-CE3 3.91Å; W270-W273 AromaticContact CZ3-CZ3 3.7Å; W270-W273 HydrophobicContact CZ3-CZ3 3.7Å; W270-W273 PolarHBondContact O-N 3.38Å; W273-A275 PolarHBondContact O-N 3.29Å; W273-T276 PolarHBondContact O-N 3.14Å; W273-G277 WeakPolarHBondContact O-CA 3.37Å; W273-G277 PolarHBondContact O-N 2.89Å; W273-R278 VanDerWaalsContact CD1-C 3.41Å; W273-R279 HydrophobicContact CD2-CB 3.96Å; W273-R279 HydrophobicContact CD2-CG 3.93Å; W273-R279 HydrophobicContact CE3-CB 4.35Å; W273-R279 HydrophobicContact CE3-CG 3.8Å; W273-R279 HydrophobicContact CG-CB 4.43Å; W273-R279 HydrophobicContact CH2-CB 4.27Å; W273-R279 HydrophobicContact CH2-CG 3.82Å; W273-R279 HydrophobicContact CZ2-CB 3.88Å; W273-R279 HydrophobicContact CZ2-CG 3.97Å; W273-R279 HydrophobicContact CZ3-CB 4.49Å; W273-R279 HydrophobicContact CZ3-CG 3.74Å; W273-L283 HydrophobicContact CE3-CD2 3.54Å; W273-L283 HydrophobicContact CZ3-CD2 3.49Å; W273-L283 VanDerWaalsContact CZ3-CD2 3.49Å; W273-D384 HydrophobicContact CZ2-CB 4.09Å; W273-I385 HydrophobicContact CB-CD1 4.38Å; W273-I385 HydrophobicContact CD2-CD1 4.13Å; W273-I385 HydrophobicContact CD2-CG1 3.56Å; W273-I385 HydrophobicContact CE3-CG1 3.91Å; W273-I385 HydrophobicContact CG-CD1 4.03Å; W273-I385 HydrophobicContact CG-CG1 3.96Å; W273-I385 HydrophobicContact CH2-CG1 4.32Å; W273-I385 HydrophobicContact CZ2-CG1 3.99Å; W273-I385 HydrophobicContact CZ3-CG1 4.27Å; W273-F388 HydrophobicContact CH2-CB 3.66Å; W273-F388 AromaticContact CH2-CD1 3.54Å; W273-F388 HydrophobicContact CH2-CD1 3.54Å; W273-F388 HydrophobicContact CH2-CD2 4.38Å; W273-F388 HydrophobicContact CH2-CE1 4.13Å; W273-F388 AromaticContact CH2-CG 3.64Å; W273-F388 HydrophobicContact CH2-CG 3.64Å; W273-F388 HydrophobicContact CZ3-CB 4.44Å; W273-F388 AromaticContact CZ3-CD1 3.51Å; W273-F388 HydrophobicContact CZ3-CD1 3.51Å; W273-F388 AromaticContact CZ3-CE1 3.79Å; W273-F388 HydrophobicContact CZ3-CE1 3.79Å; W273-F388 HydrophobicContact CZ3-CG 4.1Å
274	R	95.4	Very high	92.6	Very high	83 Å²	83	88.7 Å²	88.7	31%	0.313	42%	0.42	S	S	.	.	H	α-helix	trans	-59.7	-34.7	178.4	-174.2	179.3	65.3	179.4	4.1	113	I260 W270 R271 I272 K380 I385	I260-R274 VanDerWaalsContact CG2-CZ 3.47Å; W270-R274 WeakPolarHBondContact O-CB 3.44Å; W270-R274 PolarHBondContact O-N 3.33Å; R271-R274 PolarHBondContact O-N 3.04Å; I272-R274 VanDerWaalsContact C-N 3.32Å; I272-R274 PolarHBondContact O-N 3.37Å; R274-K380 WeakPolarHBondContact CD-O 3.44Å; R274-I385 HydrophobicContact CB-CD1 3.93Å
275	A	94.9	Very high	92.9	Very high	86 Å²	86	82.3 Å²	82.3	71%	0.711	40%	0.398	S	S	*	.	H	α-helix	trans	-82.9	-37.1	-177.8	0	0	0	0	0	113.1	R271 I272 W273	R271-A275 WeakPolarHBondContact O-CB 3.28Å; R271-A275 PolarHBondContact O-N 3.12Å; I272-A275 PolarHBondContact O-N 3.09Å; W273-A275 PolarHBondContact O-N 3.29Å
276	T	95.9	Very high	93	Very high	81 Å²	81	80.4 Å²	80.4	50%	0.497	39%	0.387	S	S	.	.	H	α-helix	trans	-98.7	-14.4	-173.6	65.8	0	0	0	0	113.7	I272 W273 R278	I272-T276 HydrophobicContact CG2-CG2 4.14Å; I272-T276 WeakPolarHBondContact O-CG2 3.48Å; I272-T276 PolarHBondContact O-N 3.04Å; I272-T276 PolarHBondContact O-OG1 3.44Å; W273-T276 PolarHBondContact O-N 3.14Å; T276-R278 PolarHBondContact O-N 3.2Å; T276-R278 PolarHBondContact OG1-N 2.96Å; T276-R278 VanDerWaalsContact OG1-N 3.16Å; T276-R278 PolarHBondContact OG1-O 3.45Å
277	G	94.7	Very high	93	Very high	37 Å²	37	77.8 Å²	77.8	38%	0.381	37%	0.368	S	S	.	.	S	Bend	trans	71.4	-4.2	-169.7	0	0	0	0	0	113.9	W273	W273-G277 WeakPolarHBondContact O-CA 3.37Å; W273-G277 PolarHBondContact O-N 2.89Å
278	R	94.8	Very high	93.1	Very high	205 Å²	205	77.7 Å²	77.7	77%	0.774	37%	0.368	S	S	*	.			trans	-105.2	124.4	-176.2	-64.3	-176.7	179.7	179.6	-0.3	110.9	W273 T276 P280	W273-R278 VanDerWaalsContact CD1-C 3.41Å; T276-R278 PolarHBondContact O-N 3.2Å; T276-R278 PolarHBondContact OG1-N 2.96Å; T276-R278 VanDerWaalsContact OG1-N 3.16Å; T276-R278 PolarHBondContact OG1-O 3.45Å; R278-P280 VanDerWaalsContact O-CD 3.3Å; R278-P280 WeakPolarHBondContact O-CD 3.41Å
279	R	94.8	Very high	93.1	Very high	147 Å²	147	71.3 Å²	71.3	56%	0.555	35%	0.348	S	S	*	.			trans	-67.9	122.1	177.6	-168.9	178.4	91.1	-174.2	3.7	110.5	W273 L283	W273-R279 HydrophobicContact CD2-CB 3.96Å; W273-R279 HydrophobicContact CD2-CG 3.93Å; W273-R279 HydrophobicContact CE3-CB 4.35Å; W273-R279 HydrophobicContact CE3-CG 3.8Å; W273-R279 HydrophobicContact CG-CB 4.43Å; W273-R279 HydrophobicContact CH2-CB 4.27Å; W273-R279 HydrophobicContact CH2-CG 3.82Å; W273-R279 HydrophobicContact CZ2-CB 3.88Å; W273-R279 HydrophobicContact CZ2-CG 3.97Å; W273-R279 HydrophobicContact CZ3-CB 4.49Å; W273-R279 HydrophobicContact CZ3-CG 3.74Å; R279-L283 HydrophobicContact CG-CD2 4.17Å
280	P	95.1	Very high	92.9	Very high	20 Å²	20	70.6 Å²	70.6	13%	0.13	35%	0.345	C	S	.	.			trans	-62.5	140.2	170.6	-22.7	34.7	0	0	0	111.3	L269 I272 R278 N282 L283	L269-P280 HydrophobicContact CB-CB 4.47Å; L269-P280 HydrophobicContact CB-CG 4.22Å; L269-P280 HydrophobicContact CD2-CB 4.32Å; L269-P280 HydrophobicContact CD2-CG 4.47Å; I272-P280 HydrophobicContact CG2-CG 4.39Å; R278-P280 VanDerWaalsContact O-CD 3.3Å; R278-P280 WeakPolarHBondContact O-CD 3.41Å; P280-N282 VanDerWaalsContact C-N 3.34Å; P280-N282 PolarHBondContact O-N 3.5Å; P280-L283 PolarHBondContact O-N 3.07Å
281	Y	91.7	Very high	92.8	Very high	233 Å²	233	70.8 Å²	70.8	91%	0.914	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-38.6	179.7	176.7	-98.2	0	0	0	112.7	L283	Y281-L283 VanDerWaalsContact C-N 3.35Å; Y281-L283 PolarHBondContact O-N 3.28Å
282	N	92.1	Very high	92.9	Very high	115 Å²	115	66.6 Å²	66.6	62%	0.615	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	30.2	-177.6	66	-25.9	0	0	0	113.5	L269 P280 D284	L269-N282 WeakPolarHBondContact CD1-O 3.38Å; P280-N282 VanDerWaalsContact C-N 3.34Å; P280-N282 PolarHBondContact O-N 3.5Å; N282-D284 PolarHBondContact O-N 2.7Å
283	L	92.6	Very high	92.9	Very high	18 Å²	18	68.7 Å²	68.7	9%	0.094	34%	0.34	C	S	.	.			trans	-61.2	121.2	179.7	-175.1	66.9	0	0	0	110.9	L269 W270 W273 R279 P280 Y281 M285 F388	L269-L283 HydrophobicContact CB-CD1 3.61Å; W270-L283 HydrophobicContact CD2-CD1 3.82Å; W270-L283 HydrophobicContact CD2-CD2 4.21Å; W270-L283 HydrophobicContact CD2-CG 4.38Å; W270-L283 HydrophobicContact CE3-CD1 4.47Å; W270-L283 HydrophobicContact CE3-CD2 4.2Å; W270-L283 HydrophobicContact CG-CD1 3.84Å; W270-L283 HydrophobicContact CH2-CD2 3.95Å; W270-L283 HydrophobicContact CZ2-CD1 4.49Å; W270-L283 HydrophobicContact CZ2-CD2 3.91Å; W270-L283 HydrophobicContact CZ2-CG 4.2Å; W270-L283 HydrophobicContact CZ3-CD2 4.06Å; W273-L283 HydrophobicContact CE3-CD2 3.54Å; W273-L283 HydrophobicContact CZ3-CD2 3.49Å; W273-L283 VanDerWaalsContact CZ3-CD2 3.49Å; R279-L283 HydrophobicContact CG-CD2 4.17Å; P280-L283 PolarHBondContact O-N 3.07Å; Y281-L283 VanDerWaalsContact C-N 3.35Å; Y281-L283 PolarHBondContact O-N 3.28Å; L283-M285 HydrophobicContact CB-SD 4.49Å; L283-M285 HydrophobicContact CD2-SD 3.65Å; L283-M285 HydrophobicContact CG-SD 3.82Å; L283-M285 PolarHBondContact O-N 3.06Å; L283-F388 HydrophobicContact CD2-CE1 4.03Å
284	D	87.8	Confident	92.8	Very high	56 Å²	56	69.3 Å²	69.3	30%	0.299	34%	0.344	S	S	.	.			trans	-72	117.8	173.6	179.5	16.7	0	0	0	110.8	W270 N282 N286	W270-D284 PolarHBondContact NE1-O 2.61Å; W270-D284 VanDerWaalsContact NE1-O 3.1Å; N282-D284 PolarHBondContact O-N 2.7Å; D284-N286 VanDerWaalsContact OD1-CB 3.28Å; D284-N286 WeakPolarHBondContact OD1-CB 3.36Å; D284-N286 PolarHBondContact OD1-N 3.5Å
285	M	89.1	Confident	92.9	Very high	32 Å²	32	65.9 Å²	65.9	16%	0.158	33%	0.331	C	S	.	.			trans	-99.9	-14.5	-178.3	-63.7	-48.7	-57.3	0	0	113.4	W270 L283 Q287 L288 T289 F388 M392	W270-M285 HydrophobicContact CH2-CE 3.77Å; W270-M285 HydrophobicContact CH2-SD 3.89Å; W270-M285 HydrophobicContact CZ2-CE 3.71Å; W270-M285 HydrophobicContact CZ2-SD 3.5Å; W270-M285 VanDerWaalsContact CZ2-SD 3.5Å; L283-M285 HydrophobicContact CB-SD 4.49Å; L283-M285 HydrophobicContact CD2-SD 3.65Å; L283-M285 HydrophobicContact CG-SD 3.82Å; L283-M285 PolarHBondContact O-N 3.06Å; M285-Q287 VanDerWaalsContact C-N 3.28Å; M285-Q287 PolarHBondContact O-N 3.03Å; M285-L288 HydrophobicContact CE-CB 4.38Å; M285-L288 HydrophobicContact CE-CD2 3.8Å; M285-L288 PolarHBondContact O-N 3.24Å; M285-T289 PolarHBondContact O-N 3.47Å; M285-T289 PolarHBondContact O-OG1 3.13Å; M285-F388 HydrophobicContact CE-CD1 4.05Å; M285-F388 HydrophobicContact CE-CE1 3.02Å; M285-F388 HydrophobicContact CE-CE2 4.47Å; M285-F388 HydrophobicContact CE-CZ 3.27Å; M285-F388 HydrophobicContact CG-CZ 4.22Å; M285-F388 HydrophobicContact SD-CE1 3.29Å; M285-F388 WeakPolarHBondContact SD-CE1 3.38Å; M285-F388 HydrophobicContact SD-CZ 3.41Å; M285-F388 WeakPolarHBondContact SD-CZ 3.41Å; M285-M392 HydrophobicContact CE-CE 4.21Å; M285-M392 HydrophobicContact CE-CG 4.22Å
286	N	87.4	Confident	93	Very high	98 Å²	98	65.5 Å²	65.5	52%	0.524	31%	0.314	S	S	.	.	H	α-helix	trans	-59.1	-41.9	-168.5	-69	-16.4	0	0	0	111.5	D284 L288 T289 V290	D284-N286 VanDerWaalsContact OD1-CB 3.28Å; D284-N286 WeakPolarHBondContact OD1-CB 3.36Å; D284-N286 PolarHBondContact OD1-N 3.5Å; N286-L288 VanDerWaalsContact C-N 3.31Å; N286-L288 PolarHBondContact O-N 3.16Å; N286-T289 PolarHBondContact O-N 3.3Å; N286-V290 VanDerWaalsContact O-CB 3.29Å; N286-V290 WeakPolarHBondContact O-CB 3.38Å; N286-V290 WeakPolarHBondContact O-CG2 3.22Å; N286-V290 PolarHBondContact O-N 2.82Å
287	Q	87.1	Confident	93.1	Very high	23 Å²	23	62.5 Å²	62.5	11%	0.107	30%	0.299	C	S	.	.	H	α-helix	trans	-62.4	-36.7	178.2	-65.9	-58.2	-62.1	0	0	113	M285 I291	M285-Q287 VanDerWaalsContact C-N 3.28Å; M285-Q287 PolarHBondContact O-N 3.03Å; Q287-I291 WeakPolarHBondContact O-CD1 3.31Å; Q287-I291 WeakPolarHBondContact O-CG1 3.28Å; Q287-I291 PolarHBondContact O-N 2.82Å
288	L	92.8	Very high	93.2	Very high	7 Å²	7	60.9 Å²	60.9	4%	0.037	28%	0.282	C	S	.	.	H	α-helix	trans	-74.1	-47.4	178.5	179.4	62.5	0	0	0	110.7	W270 M285 N286 V290 I291 C292 T389 M392	W270-L288 HydrophobicContact CH2-CD2 3.96Å; W270-L288 HydrophobicContact CZ2-CD2 4.32Å; M285-L288 HydrophobicContact CE-CB 4.38Å; M285-L288 HydrophobicContact CE-CD2 3.8Å; M285-L288 PolarHBondContact O-N 3.24Å; N286-L288 VanDerWaalsContact C-N 3.31Å; N286-L288 PolarHBondContact O-N 3.16Å; L288-V290 VanDerWaalsContact C-N 3.35Å; L288-V290 PolarHBondContact O-N 3.4Å; L288-I291 PolarHBondContact O-N 2.9Å; L288-C292 PolarHBondContact O-N 2.97Å; L288-C292 VanDerWaalsContact O-N 3.14Å; L288-C292 PolarHBondContact O-SG 2.75Å; L288-T389 HydrophobicContact CD1-CG2 4.08Å; L288-T389 HydrophobicContact CD2-CG2 4.13Å; L288-M392 HydrophobicContact CD2-CB 4.32Å
289	T	92.8	Very high	93.3	Very high	34 Å²	34	51.1 Å²	51.1	21%	0.209	25%	0.245	C	C	.	.	H	α-helix	trans	-54.6	-51.7	178	-57.4	0	0	0	0	110.8	M285 N286 I291 C292 E293 M392	M285-T289 PolarHBondContact O-N 3.47Å; M285-T289 PolarHBondContact O-OG1 3.13Å; N286-T289 PolarHBondContact O-N 3.3Å; T289-I291 VanDerWaalsContact C-N 3.34Å; T289-I291 PolarHBondContact O-N 2.86Å; T289-C292 PolarHBondContact O-N 3.4Å; T289-E293 HydrophobicContact CG2-CG 4.24Å; T289-E293 WeakPolarHBondContact CG2-OE1 3.3Å; T289-E293 WeakPolarHBondContact O-CG 3.29Å; T289-E293 PolarHBondContact O-N 3.02Å; T289-M392 VanDerWaalsContact OG1-CE 3.27Å; T289-M392 WeakPolarHBondContact OG1-CE 3.14Å
290	V	91.1	Very high	93.4	Very high	18 Å²	18	46 Å²	46	11%	0.109	23%	0.232	C	C	.	.	H	α-helix	trans	-59.4	-41.3	-178.9	169	0	0	0	0	112.2	P126 N286 L288 C292 D294	P126-V290 HydrophobicContact CG-CG2 3.69Å; N286-V290 VanDerWaalsContact O-CB 3.29Å; N286-V290 WeakPolarHBondContact O-CB 3.38Å; N286-V290 WeakPolarHBondContact O-CG2 3.22Å; N286-V290 PolarHBondContact O-N 2.82Å; L288-V290 VanDerWaalsContact C-N 3.35Å; L288-V290 PolarHBondContact O-N 3.4Å; V290-C292 VanDerWaalsContact C-N 3.32Å; V290-C292 PolarHBondContact O-N 3.3Å; V290-D294 VanDerWaalsContact O-CB 3.23Å; V290-D294 WeakPolarHBondContact O-CB 3.39Å; V290-D294 PolarHBondContact O-N 3.4Å
291	I	92.7	Very high	93.5	Very high	10 Å²	10	47 Å²	47	5%	0.051	24%	0.238	C	C	.	.	H	α-helix	trans	-62.3	-44	176.8	-65.1	158.3	0	0	0	110.8	T84 I255 Q287 L288 T289 F295	T84-I291 HydrophobicContact CG2-CG2 4.48Å; I255-I291 HydrophobicContact CD1-CG2 4.25Å; I255-I291 HydrophobicContact CG2-CD1 4.17Å; Q287-I291 WeakPolarHBondContact O-CD1 3.31Å; Q287-I291 WeakPolarHBondContact O-CG1 3.28Å; Q287-I291 PolarHBondContact O-N 2.82Å; L288-I291 PolarHBondContact O-N 2.9Å; T289-I291 VanDerWaalsContact C-N 3.34Å; T289-I291 PolarHBondContact O-N 2.86Å; I291-F295 HydrophobicContact CG2-CD2 4.29Å; I291-F295 HydrophobicContact CG2-CE2 4.3Å; I291-F295 WeakPolarHBondContact O-CB 3.16Å; I291-F295 WeakPolarHBondContact O-CG 3.37Å; I291-F295 PolarHBondContact O-N 2.91Å
292	C	96.3	Very high	93.7	Very high	9 Å²	9	36 Å²	36	6%	0.061	20%	0.196	C	C	.	.	H	α-helix	trans	-73.1	-34.3	-174.8	-66.8	0	0	0	0	111.7	L288 T289 V290 F296 C393 V396	L288-C292 PolarHBondContact O-N 2.97Å; L288-C292 VanDerWaalsContact O-N 3.14Å; L288-C292 PolarHBondContact O-SG 2.75Å; T289-C292 PolarHBondContact O-N 3.4Å; V290-C292 VanDerWaalsContact C-N 3.32Å; V290-C292 PolarHBondContact O-N 3.3Å; C292-F296 VanDerWaalsContact O-CB 3.26Å; C292-F296 WeakPolarHBondContact O-CB 3.43Å; C292-F296 PolarHBondContact O-N 3.02Å; C292-C393 HydrophobicContact CB-CB 3.82Å; C292-C393 WeakPolarHBondContact CB-SG 3.35Å; C292-C393 WeakPolarHBondContact SG-CB 3.4Å; C292-C393 CovalentContact SG-SG 2.02Å; C292-C393 PolarHBondContact SG-SG 3.05Å; C292-V396 HydrophobicContact CB-CG1 3.92Å
293	E	95.3	Very high	93.8	Very high	120 Å²	120	33.6 Å²	33.6	56%	0.561	18%	0.182	S	C	*	.	H	α-helix	trans	-68.8	-50.8	171.3	-70.9	177.6	166.3	0	0	111.9	T289 F295 F296 G297	T289-E293 HydrophobicContact CG2-CG 4.24Å; T289-E293 WeakPolarHBondContact CG2-OE1 3.3Å; T289-E293 WeakPolarHBondContact O-CG 3.29Å; T289-E293 PolarHBondContact O-N 3.02Å; E293-F295 VanDerWaalsContact C-N 3.3Å; E293-F295 PolarHBondContact O-N 3.45Å; E293-F296 PolarHBondContact O-N 3.1Å; E293-F296 VanDerWaalsContact O-N 3.1Å; E293-G297 PolarHBondContact O-N 3.33Å
294	D	94.7	Very high	94	Very high	23 Å²	23	36.6 Å²	36.6	12%	0.123	21%	0.205	C	C	.	.	H	α-helix	trans	-56.4	-45.5	177.5	-73	-9	0	0	0	110.8	R129 V290 S298	R129-D294 IonicContact CZ-OD2 3.16Å; R129-D294 IonicContact NH1-OD1 3.77Å; R129-D294 IonicContact NH1-OD2 2.69Å; R129-D294 PolarHBondContact NH1-OD2 2.86Å; R129-D294 IonicContact NH2-OD2 2.71Å; R129-D294 PolarHBondContact NH2-OD2 3.31Å; V290-D294 VanDerWaalsContact O-CB 3.23Å; V290-D294 WeakPolarHBondContact O-CB 3.39Å; V290-D294 PolarHBondContact O-N 3.4Å; D294-S298 WeakPolarHBondContact O-CB 3.28Å; D294-S298 PolarHBondContact O-N 3.26Å
295	F	96.6	Very high	94.3	Very high	11 Å²	11	38.3 Å²	38.3	5%	0.048	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-46.5	176	-83.3	-0	0	0	0	111.7	T84 V249 R250 I255 I291 E293 V299 V396	T84-F295 HydrophobicContact CG2-CE1 3.65Å; T84-F295 HydrophobicContact CG2-CE2 4.36Å; T84-F295 HydrophobicContact CG2-CZ 3.4Å; V249-F295 HydrophobicContact CG1-CE1 4.49Å; R250-F295 WeakPolarHBondContact O-CE2 3.47Å; I255-F295 HydrophobicContact CD1-CE2 3.6Å; I255-F295 HydrophobicContact CD1-CZ 3.86Å; I291-F295 HydrophobicContact CG2-CD2 4.29Å; I291-F295 HydrophobicContact CG2-CE2 4.3Å; I291-F295 WeakPolarHBondContact O-CB 3.16Å; I291-F295 WeakPolarHBondContact O-CG 3.37Å; I291-F295 PolarHBondContact O-N 2.91Å; E293-F295 VanDerWaalsContact C-N 3.3Å; E293-F295 PolarHBondContact O-N 3.45Å; F295-V299 WeakPolarHBondContact O-CB 3.16Å; F295-V299 WeakPolarHBondContact O-CG2 3.23Å; F295-V299 PolarHBondContact O-N 2.94Å; F295-V396 HydrophobicContact CB-CG2 3.62Å; F295-V396 HydrophobicContact CD2-CG2 4.18Å; F295-V396 HydrophobicContact CG-CG2 4.44Å
296	F	97.6	Very high	94.7	Very high	78 Å²	78	38 Å²	38	34%	0.342	21%	0.211	S	C	.	.	H	α-helix	trans	-62	-47.9	179.9	-178.1	-102.1	0	0	0	111.7	C292 E293 S300 K395 V396 Q399	C292-F296 VanDerWaalsContact O-CB 3.26Å; C292-F296 WeakPolarHBondContact O-CB 3.43Å; C292-F296 PolarHBondContact O-N 3.02Å; E293-F296 PolarHBondContact O-N 3.1Å; E293-F296 VanDerWaalsContact O-N 3.1Å; F296-S300 WeakPolarHBondContact O-CB 3.4Å; F296-S300 PolarHBondContact O-N 3.31Å; F296-S300 PolarHBondContact O-OG 3.12Å; F296-K395 HydrophobicContact CD2-CB 3.78Å; F296-K395 HydrophobicContact CE2-CB 3.88Å; F296-K395 HydrophobicContact CG-CB 4.37Å; F296-K395 HydrophobicContact CZ-CD 4.41Å; F296-V396 HydrophobicContact CB-CB 4.48Å; F296-Q399 VanDerWaalsContact CD2-OE1 3.25Å
297	G	97.3	Very high	95.2	Very high	19 Å²	19	41.4 Å²	41.4	20%	0.196	22%	0.224	C	C	.	.	H	α-helix	trans	-63.8	-48.1	178.8	0	0	0	0	0	112.5	E293 S300 T301	E293-G297 PolarHBondContact O-N 3.33Å; G297-S300 PolarHBondContact O-N 2.98Å; G297-T301 PolarHBondContact O-N 2.8Å; G297-T301 PolarHBondContact O-OG1 2.87Å
298	S	97.3	Very high	95.6	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.014	22%	0.223	C	C	.	.	H	α-helix	trans	-64.9	-46.8	-179.3	-168.4	0	0	0	0	112.3	I229 Q247 D294 T301 G302	I229-S298 VanDerWaalsContact CG2-O 3.23Å; I229-S298 WeakPolarHBondContact CG2-O 3.37Å; I229-S298 PolarHBondContact N-OG 3.43Å; Q247-S298 PolarHBondContact NE2-OG 3Å; Q247-S298 PolarHBondContact OE1-OG 3.15Å; D294-S298 WeakPolarHBondContact O-CB 3.28Å; D294-S298 PolarHBondContact O-N 3.26Å; S298-T301 PolarHBondContact O-N 3.11Å; S298-G302 PolarHBondContact O-N 3.37Å
299	V	97.1	Very high	95.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-67.5	-38.8	177.6	174.6	0	0	0	0	111.2	V249 F295 T301 G302 L303 L315 Q399 L400	V249-V299 HydrophobicContact CG1-CG2 3.71Å; F295-V299 WeakPolarHBondContact O-CB 3.16Å; F295-V299 WeakPolarHBondContact O-CG2 3.23Å; F295-V299 PolarHBondContact O-N 2.94Å; V299-T301 VanDerWaalsContact C-N 3.28Å; V299-T301 PolarHBondContact O-N 3.4Å; V299-G302 PolarHBondContact O-N 3.21Å; V299-L303 HydrophobicContact CG1-CD1 3.61Å; V299-L303 HydrophobicContact CG1-CG 3.96Å; V299-L303 WeakPolarHBondContact O-CB 3.29Å; V299-L303 VanDerWaalsContact O-CG 3.3Å; V299-L303 WeakPolarHBondContact O-CG 3.34Å; V299-L303 PolarHBondContact O-N 2.77Å; V299-L315 HydrophobicContact CG1-CD2 3.97Å; V299-L315 HydrophobicContact CG2-CD1 4.13Å; V299-L315 HydrophobicContact CG2-CD2 4.45Å; V299-Q399 HydrophobicContact CG1-CG 3.94Å; V299-L400 HydrophobicContact CG1-CD2 4.02Å; V299-L400 HydrophobicContact CG2-CD2 4.08Å
300	S	97.4	Very high	96	Very high	41 Å²	41	44.7 Å²	44.7	29%	0.287	23%	0.234	S	C	.	.	H	α-helix	trans	-61.2	-39.4	175.6	-60.6	0	0	0	0	111.7	F296 G297 S304 Q399	F296-S300 WeakPolarHBondContact O-CB 3.4Å; F296-S300 PolarHBondContact O-N 3.31Å; F296-S300 PolarHBondContact O-OG 3.12Å; G297-S300 PolarHBondContact O-N 2.98Å; S300-S304 WeakPolarHBondContact O-CB 3.14Å; S300-S304 PolarHBondContact O-N 3.45Å; S300-S304 PolarHBondContact O-OG 2.89Å; S300-Q399 PolarHBondContact OG-NE2 3.04Å
301	T	97.4	Very high	96.3	Very high	40 Å²	40	44.9 Å²	44.9	25%	0.245	24%	0.239	C	C	.	.	H	α-helix	trans	-66.8	-40.5	174.7	-57.5	0	0	0	0	112	I229 G297 S298 V299 S304 P306 W308	I229-T301 HydrophobicContact CG2-CG2 3.68Å; G297-T301 PolarHBondContact O-N 2.8Å; G297-T301 PolarHBondContact O-OG1 2.87Å; S298-T301 PolarHBondContact O-N 3.11Å; V299-T301 VanDerWaalsContact C-N 3.28Å; V299-T301 PolarHBondContact O-N 3.4Å; T301-S304 PolarHBondContact O-OG 3.05Å; T301-P306 WeakPolarHBondContact O-CD 3.4Å; T301-W308 HydrophobicContact CG2-CZ2 4.16Å
302	G	96.1	Very high	96.5	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-64.5	-45	175.3	0	0	0	0	0	112.7	S298 V299 S304 H305	S298-G302 PolarHBondContact O-N 3.37Å; V299-G302 PolarHBondContact O-N 3.21Å; G302-S304 VanDerWaalsContact C-N 3.32Å; G302-S304 PolarHBondContact O-N 2.93Å; G302-H305 PolarHBondContact O-N 2.71Å
303	L	94.3	Very high	96.6	Very high	63 Å²	63	47.3 Å²	47.3	33%	0.33	25%	0.248	S	C	.	.	H	α-helix	trans	-77.8	-12.2	-177.5	-64.8	-179.1	0	0	0	114.2	V299 H305 Q399	V299-L303 HydrophobicContact CG1-CD1 3.61Å; V299-L303 HydrophobicContact CG1-CG 3.96Å; V299-L303 WeakPolarHBondContact O-CB 3.29Å; V299-L303 VanDerWaalsContact O-CG 3.3Å; V299-L303 WeakPolarHBondContact O-CG 3.34Å; V299-L303 PolarHBondContact O-N 2.77Å; L303-H305 PolarHBondContact O-CE1 2.9Å; L303-H305 VanDerWaalsContact O-CE1 3.3Å; L303-H305 PolarHBondContact O-N 3.39Å; L303-H305 PolarHBondContact O-ND1 2.88Å; L303-Q399 HydrophobicContact CD1-CG 4.26Å
304	S	95.6	Very high	96.7	Very high	81 Å²	81	42 Å²	42	57%	0.566	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-1.6	170.8	68.8	0	0	0	0	113	S300 T301 G302	S300-S304 WeakPolarHBondContact O-CB 3.14Å; S300-S304 PolarHBondContact O-N 3.45Å; S300-S304 PolarHBondContact O-OG 2.89Å; T301-S304 PolarHBondContact O-OG 3.05Å; G302-S304 VanDerWaalsContact C-N 3.32Å; G302-S304 PolarHBondContact O-N 2.93Å
305	H	95.5	Very high	96.8	Very high	93 Å²	93	41.3 Å²	41.3	43%	0.431	22%	0.22	S	C	.	.			trans	51.7	50.2	176.3	-58.5	105.5	0	0	0	113.8	G302 L303 F427	G302-H305 PolarHBondContact O-N 2.71Å; L303-H305 PolarHBondContact O-CE1 2.9Å; L303-H305 VanDerWaalsContact O-CE1 3.3Å; L303-H305 PolarHBondContact O-N 3.39Å; L303-H305 PolarHBondContact O-ND1 2.88Å; H305-F427 HydrophobicContact CB-CD1 3.99Å; H305-F427 HydrophobicContact CB-CD2 4.31Å; H305-F427 HydrophobicContact CB-CE1 3.82Å; H305-F427 HydrophobicContact CB-CE2 4.17Å; H305-F427 HydrophobicContact CB-CG 4.24Å; H305-F427 HydrophobicContact CB-CZ 3.93Å; H305-F427 AromaticContact CD2-CD2 3.71Å; H305-F427 AromaticContact CD2-CG 3.52Å; H305-F427 WeakPolarHBondContact O-CE1 3.32Å
306	P	96.8	Very high	96.9	Very high	26 Å²	26	41.2 Å²	41.2	17%	0.169	22%	0.22	C	C	.	.			trans	-66.3	143.1	-179.6	31.7	-36.3	0	0	0	109.9	T301 W308 L309	T301-P306 WeakPolarHBondContact O-CD 3.4Å; P306-W308 HydrophobicContact CG-CZ2 4.23Å; P306-W308 PolarHBondContact O-N 2.91Å; P306-L309 HydrophobicContact CG-CB 4.13Å; P306-L309 HydrophobicContact CG-CD1 3.78Å; P306-L309 HydrophobicContact CG-CG 3.95Å; P306-L309 PolarHBondContact O-N 3.1Å
307	H	96.7	Very high	96.9	Very high	169 Å²	169	37.7 Å²	37.7	78%	0.782	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-51.1	-37.8	-173.7	-178.6	-88.9	0	0	0	113.6	L309 K310	H307-L309 PolarHBondContact O-N 3.25Å; H307-K310 WeakPolarHBondContact O-CB 3.41Å; H307-K310 PolarHBondContact O-N 3.06Å; H307-K310 VanDerWaalsContact O-N 3.15Å
308	W	97	Very high	96.9	Very high	24 Å²	24	37.8 Å²	37.8	9%	0.091	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-68.1	-14.6	-179.1	66	-92.9	0	0	0	114.7	I229 R233 V236 E237 T301 P306	I229-W308 HydrophobicContact CG1-CH2 4.02Å; I229-W308 WeakPolarHBondContact O-CH2 2.99Å; R233-W308 HydrophobicContact CB-CD2 4.45Å; R233-W308 HydrophobicContact CB-CE3 4.31Å; R233-W308 HydrophobicContact CB-CH2 4.12Å; R233-W308 HydrophobicContact CB-CZ2 4.27Å; R233-W308 HydrophobicContact CB-CZ3 4.12Å; R233-W308 HydrophobicContact CG-CD2 4Å; R233-W308 HydrophobicContact CG-CE3 4.2Å; R233-W308 HydrophobicContact CG-CG 4.37Å; R233-W308 HydrophobicContact CG-CZ3 4.5Å; V236-W308 HydrophobicContact CB-CE3 3.82Å; V236-W308 HydrophobicContact CB-CZ3 3.87Å; V236-W308 HydrophobicContact CG1-CE3 3.73Å; V236-W308 HydrophobicContact CG1-CZ3 4.07Å; V236-W308 WeakPolarHBondContact CG1-O 3.12Å; V236-W308 HydrophobicContact CG2-CE3 4.45Å; V236-W308 HydrophobicContact CG2-CZ3 4.01Å; E237-W308 HydrophobicContact CG-CB 3.67Å; E237-W308 HydrophobicContact CG-CG 4.46Å; E237-W308 WeakPolarHBondContact OE1-CB 3.33Å; T301-W308 HydrophobicContact CG2-CZ2 4.16Å; P306-W308 HydrophobicContact CG-CZ2 4.23Å; P306-W308 PolarHBondContact O-N 2.91Å
309	L	97.2	Very high	96.9	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-97.7	-6.3	174.3	-73	-176	0	0	0	114	I229 V236 P306 H307 G311 K312 Y313	I229-L309 HydrophobicContact CD1-CD2 4.29Å; I229-L309 HydrophobicContact CG1-CD1 3.94Å; I229-L309 HydrophobicContact CG1-CD2 4.1Å; V236-L309 HydrophobicContact CG1-CD2 4.31Å; P306-L309 HydrophobicContact CG-CB 4.13Å; P306-L309 HydrophobicContact CG-CD1 3.78Å; P306-L309 HydrophobicContact CG-CG 3.95Å; P306-L309 PolarHBondContact O-N 3.1Å; H307-L309 PolarHBondContact O-N 3.25Å; L309-G311 PolarHBondContact O-N 3.29Å; L309-K312 PolarHBondContact O-N 3.19Å; L309-Y313 HydrophobicContact CD1-CD2 4.23Å; L309-Y313 HydrophobicContact CD1-CG 4.14Å; L309-Y313 HydrophobicContact CD2-CD2 4.41Å; L309-Y313 PolarHBondContact O-N 3.2Å
310	K	96.8	Very high	96.8	Very high	108 Å²	108	39.2 Å²	39.2	47%	0.47	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	129.2	-179.6	-167.2	177	178.7	-176.1	0	111.3	H307 K312 F427 L428	H307-K310 WeakPolarHBondContact O-CB 3.41Å; H307-K310 PolarHBondContact O-N 3.06Å; H307-K310 VanDerWaalsContact O-N 3.15Å; K310-K312 PolarHBondContact O-N 3.43Å; K310-K312 VanDerWaalsContact O-N 3.17Å; K310-F427 VanDerWaalsContact CA-CD1 3.42Å; K310-F427 HydrophobicContact CB-CD1 3.85Å; K310-F427 HydrophobicContact CB-CE1 3.42Å; K310-F427 VanDerWaalsContact CB-CE1 3.42Å; K310-F427 HydrophobicContact CB-CZ 3.84Å; K310-F427 HydrophobicContact CD-CE1 4.38Å; K310-F427 HydrophobicContact CD-CE2 4.27Å; K310-F427 HydrophobicContact CD-CZ 3.89Å; K310-F427 HydrophobicContact CG-CD1 4.15Å; K310-F427 HydrophobicContact CG-CD2 4.38Å; K310-F427 HydrophobicContact CG-CE1 3.77Å; K310-F427 HydrophobicContact CG-CE2 4.02Å; K310-F427 HydrophobicContact CG-CG 4.44Å; K310-F427 HydrophobicContact CG-CZ 3.69Å; K310-L428 WeakPolarHBondContact CE-O 3.49Å
311	G	96.4	Very high	96.7	Very high	21 Å²	21	37.4 Å²	37.4	22%	0.216	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	0	-174.6	0	0	0	0	0	115.1	L309 F427 L428	L309-G311 PolarHBondContact O-N 3.29Å; G311-F427 WeakPolarHBondContact CA-O 3.48Å; G311-F427 PolarHBondContact N-O 2.84Å; G311-L428 PolarHBondContact N-OXT 3.14Å
312	K	97.3	Very high	96.6	Very high	60 Å²	60	35.7 Å²	35.7	26%	0.261	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-4.1	-167.8	-64.5	-178.2	-176.2	177.8	0	114.4	V236 I243 K244 V245 L309 K310	V236-K312 HydrophobicContact CG1-CB 4.39Å; V236-K312 HydrophobicContact CG1-CD 3.63Å; V236-K312 PolarHBondContact O-NZ 3.44Å; I243-K312 WeakPolarHBondContact O-CG 3.44Å; K244-K312 CarbonylContact C-O 3.54Å; K244-K312 WeakPolarHBondContact CA-O 3.44Å; V245-K312 PolarHBondContact N-O 3.28Å; L309-K312 PolarHBondContact O-N 3.19Å; K310-K312 PolarHBondContact O-N 3.43Å; K310-K312 VanDerWaalsContact O-N 3.17Å
313	Y	98.2	Very high	96.5	Very high	10 Å²	10	40.6 Å²	40.6	4%	0.039	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	133.8	-173.6	-179.4	-100.6	0	0	0	113.8	I229 V245 Q247 L309 L315	I229-Y313 HydrophobicContact CD1-CD2 4.06Å; I229-Y313 HydrophobicContact CD1-CE2 4.1Å; I229-Y313 HydrophobicContact CG1-CD2 4.05Å; I229-Y313 HydrophobicContact CG1-CE2 3.89Å; V245-Y313 HydrophobicContact CB-CD2 4.42Å; V245-Y313 WeakPolarHBondContact O-CA 3.47Å; Q247-Y313 HydrophobicContact CB-CE2 3.64Å; Q247-Y313 VanDerWaalsContact CD-OH 3.29Å; Q247-Y313 VanDerWaalsContact OE1-CE2 3.29Å; Q247-Y313 PolarHBondContact OE1-OH 3.47Å; L309-Y313 HydrophobicContact CD1-CD2 4.23Å; L309-Y313 HydrophobicContact CD1-CG 4.14Å; L309-Y313 HydrophobicContact CD2-CD2 4.41Å; L309-Y313 PolarHBondContact O-N 3.2Å; Y313-L315 HydrophobicContact CE1-CB 4Å
314	M	97.6	Very high	96.5	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.039	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	129	170.5	-176.6	-178.4	-169	0	0	110.1	V245 I246 Q247 V316 E331 I332 F335 P426	V245-M314 PolarHBondContact O-N 3.11Å; I246-M314 CarbonylContact C-O 3.01Å; I246-M314 WeakPolarHBondContact CA-O 3.33Å; Q247-M314 PolarHBondContact N-O 3.41Å; M314-V316 HydrophobicContact CE-CG2 3.97Å; M314-V316 HydrophobicContact CG-CG2 3.92Å; M314-V316 HydrophobicContact SD-CG2 3.96Å; M314-E331 HydrophobicContact CE-CB 4.13Å; M314-I332 HydrophobicContact CE-CG1 3.99Å; M314-I332 HydrophobicContact SD-CB 4.45Å; M314-I332 HydrophobicContact SD-CG1 3.93Å; M314-F335 HydrophobicContact CB-CD1 3.64Å; M314-F335 HydrophobicContact CB-CD2 4.17Å; M314-F335 HydrophobicContact CB-CE1 3.59Å; M314-F335 HydrophobicContact CB-CE2 4.13Å; M314-F335 HydrophobicContact CB-CG 3.93Å; M314-F335 HydrophobicContact CB-CZ 3.85Å; M314-F335 HydrophobicContact CG-CD1 4.33Å; M314-F335 HydrophobicContact CG-CG 4.38Å; M314-F335 HydrophobicContact SD-CB 3.76Å; M314-F335 HydrophobicContact SD-CD1 3.8Å; M314-F335 HydrophobicContact SD-CG 3.84Å; M314-P426 HydrophobicContact CG-CG 4.16Å
315	L	97.6	Very high	96.5	Very high	9 Å²	9	38.3 Å²	38.3	5%	0.047	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	124.7	171.5	-176.7	67.5	0	0	0	109.4	Q247 V249 V299 Y313 L400 F424	Q247-L315 HydrophobicContact CB-CD1 4.05Å; Q247-L315 HydrophobicContact CG-CD1 3.89Å; V249-L315 HydrophobicContact CB-CD1 4.43Å; V249-L315 HydrophobicContact CG1-CD1 3.66Å; V249-L315 HydrophobicContact CG2-CD1 3.93Å; V249-L315 HydrophobicContact CG2-CG 4.26Å; V299-L315 HydrophobicContact CG1-CD2 3.97Å; V299-L315 HydrophobicContact CG2-CD1 4.13Å; V299-L315 HydrophobicContact CG2-CD2 4.45Å; Y313-L315 HydrophobicContact CE1-CB 4Å; L315-L400 HydrophobicContact CD2-CD2 4.39Å; L315-F424 HydrophobicContact CB-CB 4.27Å; L315-F424 HydrophobicContact CD2-CD1 3.63Å; L315-F424 HydrophobicContact CD2-CE1 3.85Å; L315-F424 HydrophobicContact CD2-CG 4Å; L315-F424 HydrophobicContact CD2-CZ 4.44Å; L315-F424 HydrophobicContact CG-CD1 4.48Å; L315-F424 HydrophobicContact CG-CG 4.39Å
316	V	97.4	Very high	96.5	Very high	10 Å²	10	36.9 Å²	36.9	6%	0.061	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.8	-179.1	176.1	0	0	0	0	109.7	I246 Q247 L248 V249 M314 L321 I332	I246-V316 HydrophobicContact CG2-CB 4.32Å; I246-V316 HydrophobicContact CG2-CG2 3.81Å; Q247-V316 PolarHBondContact O-N 2.99Å; L248-V316 WeakPolarHBondContact CA-O 3.41Å; L248-V316 HydrophobicContact CD2-CB 3.7Å; L248-V316 HydrophobicContact CD2-CG1 3.72Å; V249-V316 PolarHBondContact N-O 2.96Å; M314-V316 HydrophobicContact CE-CG2 3.97Å; M314-V316 HydrophobicContact CG-CG2 3.92Å; M314-V316 HydrophobicContact SD-CG2 3.96Å; V316-L321 HydrophobicContact CG1-CB 4.36Å; V316-L321 HydrophobicContact CG1-CD2 4.45Å; V316-I332 HydrophobicContact CG1-CD1 4.34Å; V316-I332 HydrophobicContact CG2-CD1 4.15Å; V316-I332 HydrophobicContact CG2-CG1 4.03Å
317	R	97.5	Very high	96.4	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.5	175.4	-178.2	170.4	63.4	172	9.4	110.5	V249 E319 D320 L321 L400 Y402 V419 Q420 F424	V249-R317 HydrophobicContact CG2-CB 4.07Å; V249-R317 HydrophobicContact CG2-CG 4.45Å; R317-E319 VanDerWaalsContact C-N 3.28Å; R317-E319 VanDerWaalsContact CG-OE2 3.32Å; R317-E319 WeakPolarHBondContact CG-OE2 3.43Å; R317-E319 PolarHBondContact O-N 2.81Å; R317-D320 WeakPolarHBondContact CB-OD2 3.48Å; R317-D320 IonicContact CZ-OD1 3.55Å; R317-D320 IonicContact CZ-OD2 3.82Å; R317-D320 VanDerWaalsContact CZ-OD2 3.3Å; R317-D320 IonicContact NE-OD1 3.96Å; R317-D320 PolarHBondContact NE-OD1 2.97Å; R317-D320 IonicContact NE-OD2 3.37Å; R317-D320 PolarHBondContact NE-OD2 3.44Å; R317-D320 VanDerWaalsContact NH2-CG 3.3Å; R317-D320 IonicContact NH2-OD1 2.91Å; R317-D320 PolarHBondContact NH2-OD1 3.49Å; R317-D320 IonicContact NH2-OD2 3.2Å; R317-D320 PolarHBondContact NH2-OD2 2.86Å; R317-D320 PolarHBondContact O-N 2.94Å; R317-L321 PolarHBondContact O-N 2.88Å; R317-L400 PolarHBondContact NH1-O 3.46Å; R317-Y402 WeakPolarHBondContact CD-OH 3.19Å; R317-Y402 HydrophobicContact CG-CE1 4.39Å; R317-Y402 VanDerWaalsContact CG-OH 3.29Å; R317-Y402 WeakPolarHBondContact CG-OH 3.25Å; R317-V419 VanDerWaalsContact NH2-CG1 3.25Å; R317-Q420 PolarHBondContact NH1-O 3.45Å; R317-Q420 PolarHBondContact NH2-O 3.41Å; R317-F424 HydrophobicContact CB-CD2 4.35Å; R317-F424 HydrophobicContact CB-CE2 3.94Å
318	Y	97.4	Very high	96.4	Very high	21 Å²	21	34.3 Å²	34.3	8%	0.082	17%	0.167	C	C	.	.	H	α-helix	trans	-55.9	-41.6	-173.9	170.5	-103.6	0	0	0	112.8	S87 V249 R250 D320 L321 A322 N373 A374	S87-Y318 WeakPolarHBondContact O-CD2 3.4Å; V249-Y318 WeakPolarHBondContact O-CB 3.34Å; V249-Y318 PolarHBondContact O-N 3.1Å; R250-Y318 HydrophobicContact CB-CD1 4.5Å; R250-Y318 HydrophobicContact CB-CG 4.33Å; R250-Y318 HydrophobicContact CG-CD1 3.66Å; R250-Y318 HydrophobicContact CG-CG 3.95Å; R250-Y318 VanDerWaalsContact CZ-CE1 3.49Å; R250-Y318 VanDerWaalsContact NE-CD1 3.33Å; Y318-D320 VanDerWaalsContact C-N 3.33Å; Y318-D320 PolarHBondContact O-N 2.97Å; Y318-L321 PolarHBondContact O-N 3.2Å; Y318-A322 HydrophobicContact CE1-CB 4.29Å; Y318-A322 HydrophobicContact CE2-CB 4.42Å; Y318-A322 WeakPolarHBondContact O-CB 3.26Å; Y318-A322 PolarHBondContact O-N 3.05Å; Y318-N373 PolarHBondContact OH-ND2 3.03Å; Y318-A374 HydrophobicContact CD1-CB 4.42Å; Y318-A374 HydrophobicContact CE1-CB 3.79Å
319	E	96.8	Very high	96.4	Very high	5 Å²	5	33.1 Å²	33.1	2%	0.023	16%	0.162	C	C	.	.	H	α-helix	trans	-65.4	-36.3	-176.7	-67.3	71	-161.8	0	0	111.7	R250 D251 R317 A322 R323 Y402 V419	R250-E319 VanDerWaalsContact CG-OE1 3.3Å; R250-E319 WeakPolarHBondContact CG-OE1 3.44Å; D251-E319 WeakPolarHBondContact CB-OE1 3.3Å; D251-E319 PolarHBondContact N-OE1 3.17Å; R317-E319 VanDerWaalsContact C-N 3.28Å; R317-E319 VanDerWaalsContact CG-OE2 3.32Å; R317-E319 WeakPolarHBondContact CG-OE2 3.43Å; R317-E319 PolarHBondContact O-N 2.81Å; E319-A322 PolarHBondContact O-N 2.73Å; E319-R323 VanDerWaalsContact O-CB 3.32Å; E319-R323 WeakPolarHBondContact O-CB 3.47Å; E319-R323 PolarHBondContact O-N 3.33Å; E319-Y402 HydrophobicContact CG-CE1 4.24Å; E319-Y402 PolarHBondContact OE2-OH 3.37Å; E319-V419 HydrophobicContact CB-CG1 4.4Å; E319-V419 HydrophobicContact CB-CG2 4.01Å; E319-V419 HydrophobicContact CG-CG2 3.98Å
320	D	96.1	Very high	96.5	Very high	27 Å²	27	35.8 Å²	35.8	14%	0.144	18%	0.175	C	C	.	.	H	α-helix	trans	-70.4	-44.1	176.9	-58.6	-33.5	0	0	0	110.8	R317 Y318 A322 R323 N324 K328	R317-D320 WeakPolarHBondContact CB-OD2 3.48Å; R317-D320 IonicContact CZ-OD1 3.55Å; R317-D320 IonicContact CZ-OD2 3.82Å; R317-D320 VanDerWaalsContact CZ-OD2 3.3Å; R317-D320 IonicContact NE-OD1 3.96Å; R317-D320 PolarHBondContact NE-OD1 2.97Å; R317-D320 IonicContact NE-OD2 3.37Å; R317-D320 PolarHBondContact NE-OD2 3.44Å; R317-D320 VanDerWaalsContact NH2-CG 3.3Å; R317-D320 IonicContact NH2-OD1 2.91Å; R317-D320 PolarHBondContact NH2-OD1 3.49Å; R317-D320 IonicContact NH2-OD2 3.2Å; R317-D320 PolarHBondContact NH2-OD2 2.86Å; R317-D320 PolarHBondContact O-N 2.94Å; Y318-D320 VanDerWaalsContact C-N 3.33Å; Y318-D320 PolarHBondContact O-N 2.97Å; D320-A322 VanDerWaalsContact C-N 3.33Å; D320-R323 PolarHBondContact O-N 3.47Å; D320-N324 PolarHBondContact O-N 3.19Å; D320-K328 HydrophobicContact CB-CG 4.36Å; D320-K328 WeakPolarHBondContact O-CG 3.14Å
321	L	95.9	Very high	96.5	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-40.4	174.9	179.4	65.1	0	0	0	111.4	F91 V92 L95 V316 R317 Y318 N324 P325 K328	F91-L321 HydrophobicContact CD1-CD2 3.96Å; F91-L321 HydrophobicContact CD1-CG 4.42Å; F91-L321 HydrophobicContact CE1-CD1 4.38Å; F91-L321 HydrophobicContact CE1-CD2 4.16Å; F91-L321 HydrophobicContact CE1-CG 4.17Å; V92-L321 HydrophobicContact CG2-CD2 3.36Å; L95-L321 HydrophobicContact CD1-CD1 4.25Å; L95-L321 HydrophobicContact CD1-CD2 4.39Å; V316-L321 HydrophobicContact CG1-CB 4.36Å; V316-L321 HydrophobicContact CG1-CD2 4.45Å; R317-L321 PolarHBondContact O-N 2.88Å; Y318-L321 PolarHBondContact O-N 3.2Å; L321-N324 CarbonylContact O-C 3.52Å; L321-P325 WeakPolarHBondContact O-CA 3.41Å; L321-P325 WeakPolarHBondContact O-CB 3.36Å; L321-P325 VanDerWaalsContact O-N 3.12Å; L321-K328 HydrophobicContact CB-CB 4.29Å; L321-K328 HydrophobicContact CD1-CB 3.63Å
322	A	95	Very high	96.6	Very high	4 Å²	4	33 Å²	33	3%	0.033	16%	0.158	C	C	.	.	H	α-helix	trans	-68.5	-35.8	-179.5	0	0	0	0	0	112.3	Y318 E319 D320 S370 A371 A374	Y318-A322 HydrophobicContact CE1-CB 4.29Å; Y318-A322 HydrophobicContact CE2-CB 4.42Å; Y318-A322 WeakPolarHBondContact O-CB 3.26Å; Y318-A322 PolarHBondContact O-N 3.05Å; E319-A322 PolarHBondContact O-N 2.73Å; D320-A322 VanDerWaalsContact C-N 3.33Å; A322-S370 WeakPolarHBondContact CB-O 3.29Å; A322-S370 WeakPolarHBondContact O-CB 3.27Å; A322-S370 PolarHBondContact O-OG 3.34Å; A322-A371 PolarHBondContact O-N 2.88Å; A322-A374 HydrophobicContact CB-CB 3.85Å
323	R	93.1	Very high	96.6	Very high	107 Å²	107	30.2 Å²	30.2	40%	0.404	15%	0.146	S	C	.	.	H	α-helix	trans	-76.3	-39.8	177.8	-170.9	175.4	-68.1	153.7	3	112.4	E319 D320 E375 S417	E319-R323 VanDerWaalsContact O-CB 3.32Å; E319-R323 WeakPolarHBondContact O-CB 3.47Å; E319-R323 PolarHBondContact O-N 3.33Å; D320-R323 PolarHBondContact O-N 3.47Å; R323-E375 IonicContact NH2-OE1 3.48Å; R323-S417 PolarHBondContact NH2-OG 3.1Å
324	N	94.3	Very high	96.5	Very high	79 Å²	79	34.5 Å²	34.5	42%	0.422	17%	0.169	S	C	.	.	S	Bend	trans	-129.3	65.4	-175.7	-65.5	-61.9	0	0	0	111.7	D320 L321 L326 L327 K328	D320-N324 PolarHBondContact O-N 3.19Å; L321-N324 CarbonylContact O-C 3.52Å; N324-L326 PolarHBondContact O-N 3.41Å; N324-L327 HydrophobicContact CB-CB 4.22Å; N324-L327 PolarHBondContact O-N 3.21Å; N324-K328 HydrophobicContact CB-CG 4.39Å; N324-K328 WeakPolarHBondContact O-CB 3.32Å; N324-K328 PolarHBondContact O-N 3.5Å
325	P	95.3	Very high	96.5	Very high	17 Å²	17	34.8 Å²	34.8	11%	0.11	17%	0.171	C	C	.	.	H	α-helix	trans	-63.9	-38.8	-168	24.2	-34.6	0	0	0	113.6	F91 L321 T329 I348 T352	F91-P325 HydrophobicContact CZ-CB 4.28Å; L321-P325 WeakPolarHBondContact O-CA 3.41Å; L321-P325 WeakPolarHBondContact O-CB 3.36Å; L321-P325 VanDerWaalsContact O-N 3.12Å; P325-T329 WeakPolarHBondContact O-CB 3.33Å; P325-T329 PolarHBondContact O-N 3.33Å; P325-T329 PolarHBondContact O-OG1 3.49Å; P325-I348 HydrophobicContact CB-CG2 3.82Å; P325-I348 HydrophobicContact CG-CG2 4.08Å; P325-T352 HydrophobicContact CB-CG2 3.96Å; P325-T352 HydrophobicContact CG-CG2 3.96Å
326	L	95.6	Very high	96.5	Very high	62 Å²	62	34.6 Å²	34.6	33%	0.325	17%	0.17	S	C	.	.	H	α-helix	trans	-66.3	-49.1	178.3	-75.9	169.3	0	0	0	112.1	N324 T329 Q330 K345 I348 R349	N324-L326 PolarHBondContact O-N 3.41Å; L326-T329 PolarHBondContact O-N 2.9Å; L326-Q330 PolarHBondContact O-N 2.95Å; L326-K345 HydrophobicContact CD2-CB 4.4Å; L326-K345 HydrophobicContact CD2-CG 4.37Å; L326-I348 HydrophobicContact CD2-CB 4.1Å; L326-I348 HydrophobicContact CD2-CD1 3.98Å; L326-I348 HydrophobicContact CD2-CG2 3.85Å; L326-I348 HydrophobicContact CG-CG2 3.91Å; L326-R349 HydrophobicContact CD1-CG 4.42Å
327	L	95.8	Very high	96.5	Very high	101 Å²	101	37.1 Å²	37.1	53%	0.529	20%	0.197	S	C	.	.	H	α-helix	trans	-62.4	-51.8	-179.8	-176.8	78.8	0	0	0	111.1	N324 T329 Q330 E331	N324-L327 HydrophobicContact CB-CB 4.22Å; N324-L327 PolarHBondContact O-N 3.21Å; L327-T329 VanDerWaalsContact C-N 3.28Å; L327-T329 PolarHBondContact O-N 3.33Å; L327-Q330 WeakPolarHBondContact O-CB 3.5Å; L327-Q330 PolarHBondContact O-N 2.98Å; L327-Q330 VanDerWaalsContact O-N 3.08Å; L327-E331 PolarHBondContact O-N 2.99Å
328	K	96.4	Very high	96.4	Very high	40 Å²	40	38 Å²	38	17%	0.174	20%	0.202	C	C	.	.	H	α-helix	trans	-68.3	-28.1	-178.4	-66.8	-49.7	-173.1	-170.7	0	113	D320 L321 N324 E331 I332	D320-K328 HydrophobicContact CB-CG 4.36Å; D320-K328 WeakPolarHBondContact O-CG 3.14Å; L321-K328 HydrophobicContact CB-CB 4.29Å; L321-K328 HydrophobicContact CD1-CB 3.63Å; N324-K328 HydrophobicContact CB-CG 4.39Å; N324-K328 WeakPolarHBondContact O-CB 3.32Å; N324-K328 PolarHBondContact O-N 3.5Å; K328-E331 WeakPolarHBondContact CD-OE1 3.43Å; K328-E331 WeakPolarHBondContact CD-OE2 3.41Å; K328-E331 IonicContact NZ-OE1 3.59Å; K328-E331 PolarHBondContact NZ-OE1 2.91Å; K328-E331 IonicContact NZ-OE2 3.97Å; K328-E331 PolarHBondContact NZ-OE2 3.33Å; K328-I332 WeakPolarHBondContact O-CG1 3.14Å; K328-I332 PolarHBondContact O-N 2.94Å
329	T	97.5	Very high	96.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-69.1	-42.1	169.6	-53.8	0	0	0	0	111	L95 P325 L326 L327 E331 I332 Y333 M340 V344 I348	L95-T329 HydrophobicContact CB-CG2 4.23Å; L95-T329 HydrophobicContact CD1-CG2 3.95Å; L95-T329 WeakPolarHBondContact CD1-OG1 3.5Å; L95-T329 HydrophobicContact CD2-CG2 4.17Å; L95-T329 HydrophobicContact CG-CG2 4.34Å; P325-T329 WeakPolarHBondContact O-CB 3.33Å; P325-T329 PolarHBondContact O-N 3.33Å; P325-T329 PolarHBondContact O-OG1 3.49Å; L326-T329 PolarHBondContact O-N 2.9Å; L327-T329 VanDerWaalsContact C-N 3.28Å; L327-T329 PolarHBondContact O-N 3.33Å; T329-E331 VanDerWaalsContact C-N 3.33Å; T329-E331 PolarHBondContact O-N 3.48Å; T329-I332 WeakPolarHBondContact O-CB 3.27Å; T329-I332 PolarHBondContact O-N 2.94Å; T329-I332 VanDerWaalsContact O-N 3.13Å; T329-Y333 HydrophobicContact CG2-CD2 3.63Å; T329-Y333 HydrophobicContact CG2-CE2 3.62Å; T329-Y333 WeakPolarHBondContact O-CD2 3.07Å; T329-Y333 PolarHBondContact O-N 3.39Å; T329-M340 HydrophobicContact CG2-SD 3.58Å; T329-M340 VanDerWaalsContact CG2-SD 3.58Å; T329-V344 HydrophobicContact CG2-CG1 4.12Å; T329-I348 HydrophobicContact CG2-CD1 3.93Å
330	Q	97.8	Very high	96.4	Very high	57 Å²	57	43.1 Å²	43.1	27%	0.266	23%	0.227	S	C	.	.	H	α-helix	trans	-56.9	-47.4	175.3	-171.3	61.5	59.4	0	0	111.2	L326 L327 I332 Y333 D334 M340	L326-Q330 PolarHBondContact O-N 2.95Å; L327-Q330 WeakPolarHBondContact O-CB 3.5Å; L327-Q330 PolarHBondContact O-N 2.98Å; L327-Q330 VanDerWaalsContact O-N 3.08Å; Q330-I332 VanDerWaalsContact C-N 3.27Å; Q330-I332 PolarHBondContact O-N 3.32Å; Q330-Y333 PolarHBondContact O-N 2.92Å; Q330-D334 PolarHBondContact NE2-OD1 2.67Å; Q330-D334 PolarHBondContact O-N 2.98Å; Q330-M340 HydrophobicContact CB-CE 4.05Å
331	E	97.1	Very high	96.2	Very high	66 Å²	66	43.3 Å²	43.3	31%	0.308	23%	0.227	S	C	.	.	H	α-helix	trans	-56.7	-38.8	176.2	-69	172.9	-158.3	0	0	112.8	M314 L327 K328 T329 F335	M314-E331 HydrophobicContact CE-CB 4.13Å; L327-E331 PolarHBondContact O-N 2.99Å; K328-E331 WeakPolarHBondContact CD-OE1 3.43Å; K328-E331 WeakPolarHBondContact CD-OE2 3.41Å; K328-E331 IonicContact NZ-OE1 3.59Å; K328-E331 PolarHBondContact NZ-OE1 2.91Å; K328-E331 IonicContact NZ-OE2 3.97Å; K328-E331 PolarHBondContact NZ-OE2 3.33Å; T329-E331 VanDerWaalsContact C-N 3.33Å; T329-E331 PolarHBondContact O-N 3.48Å; E331-F335 WeakPolarHBondContact O-CB 3.41Å; E331-F335 PolarHBondContact O-N 3.19Å
332	I	97.9	Very high	96	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-64.4	-46.1	175.1	-70.2	165.1	0	0	0	110.7	I246 M314 V316 K328 T329 Q330 F335 L336	I246-I332 HydrophobicContact CD1-CG2 3.61Å; M314-I332 HydrophobicContact CE-CG1 3.99Å; M314-I332 HydrophobicContact SD-CB 4.45Å; M314-I332 HydrophobicContact SD-CG1 3.93Å; V316-I332 HydrophobicContact CG1-CD1 4.34Å; V316-I332 HydrophobicContact CG2-CD1 4.15Å; V316-I332 HydrophobicContact CG2-CG1 4.03Å; K328-I332 WeakPolarHBondContact O-CG1 3.14Å; K328-I332 PolarHBondContact O-N 2.94Å; T329-I332 WeakPolarHBondContact O-CB 3.27Å; T329-I332 PolarHBondContact O-N 2.94Å; T329-I332 VanDerWaalsContact O-N 3.13Å; Q330-I332 VanDerWaalsContact C-N 3.27Å; Q330-I332 PolarHBondContact O-N 3.32Å; I332-F335 PolarHBondContact O-N 3.29Å; I332-L336 HydrophobicContact CG2-CD1 4.06Å; I332-L336 HydrophobicContact CG2-CG 4.48Å; I332-L336 VanDerWaalsContact O-CG 3.25Å; I332-L336 WeakPolarHBondContact O-CG 3.44Å; I332-L336 PolarHBondContact O-N 2.61Å
333	Y	98	Very high	95.8	Very high	1 Å²	1	54 Å²	54	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-65.1	-40.7	179.8	-89.8	-93.5	0	0	0	111.9	L95 H99 T329 Q330 L336 G337 L338 M340 V344	L95-Y333 PolarHBondContact O-OH 2.94Å; H99-Y333 AromaticContact CD2-CE1 3.48Å; H99-Y333 VanDerWaalsContact CD2-CE1 3.48Å; H99-Y333 WeakPolarHBondContact CD2-CE1 3.47Å; T329-Y333 HydrophobicContact CG2-CD2 3.63Å; T329-Y333 HydrophobicContact CG2-CE2 3.62Å; T329-Y333 WeakPolarHBondContact O-CD2 3.07Å; T329-Y333 PolarHBondContact O-N 3.39Å; Q330-Y333 PolarHBondContact O-N 2.92Å; Y333-L336 CarbonylContact O-C 3.53Å; Y333-L336 PolarHBondContact O-N 3.48Å; Y333-L336 VanDerWaalsContact O-N 3.15Å; Y333-G337 PolarHBondContact O-N 3.33Å; Y333-L338 CarbonylContact C-O 3.11Å; Y333-L338 HydrophobicContact CD1-CB 3.78Å; Y333-L338 HydrophobicContact CE1-CB 4.33Å; Y333-L338 PolarHBondContact O-N 2.94Å; Y333-M340 HydrophobicContact CD1-CB 4.13Å; Y333-M340 HydrophobicContact CD2-CB 4.17Å; Y333-M340 HydrophobicContact CD2-CG 4.18Å; Y333-M340 HydrophobicContact CD2-SD 4.37Å; Y333-M340 HydrophobicContact CE2-CG 4.32Å; Y333-M340 HydrophobicContact CG-CB 3.87Å; Y333-M340 HydrophobicContact CG-CG 4.37Å; Y333-V344 HydrophobicContact CE2-CG1 4.04Å; Y333-V344 WeakPolarHBondContact OH-CG2 3.28Å
334	D	97.3	Very high	95.9	Very high	101 Å²	101	48.9 Å²	48.9	54%	0.54	26%	0.256	S	S	.	.	H	α-helix	trans	-61.8	-45.7	175.2	-62.2	-20	0	0	0	110.8	Q330 L336 G337	Q330-D334 PolarHBondContact NE2-OD1 2.67Å; Q330-D334 PolarHBondContact O-N 2.98Å; D334-L336 VanDerWaalsContact C-N 3.29Å; D334-L336 PolarHBondContact O-N 2.96Å; D334-G337 PolarHBondContact O-N 3.34Å
335	F	97.6	Very high	95.8	Very high	14 Å²	14	48.3 Å²	48.3	6%	0.061	25%	0.25	C	S	.	.	H	α-helix	trans	-58.8	-40.2	173.5	164	-106	0	0	0	112.2	K244 I246 M314 E331 I332 G337 P426 L428	K244-F335 HydrophobicContact CB-CE1 4.01Å; K244-F335 HydrophobicContact CB-CZ 4.11Å; K244-F335 HydrophobicContact CD-CE1 4.1Å; K244-F335 HydrophobicContact CD-CZ 4.06Å; K244-F335 HydrophobicContact CG-CE1 4.47Å; K244-F335 HydrophobicContact CG-CZ 4.26Å; K244-F335 PolarHBondContact NZ-O 3.23Å; I246-F335 HydrophobicContact CG1-CE1 4.35Å; M314-F335 HydrophobicContact CB-CD1 3.64Å; M314-F335 HydrophobicContact CB-CD2 4.17Å; M314-F335 HydrophobicContact CB-CE1 3.59Å; M314-F335 HydrophobicContact CB-CE2 4.13Å; M314-F335 HydrophobicContact CB-CG 3.93Å; M314-F335 HydrophobicContact CB-CZ 3.85Å; M314-F335 HydrophobicContact CG-CD1 4.33Å; M314-F335 HydrophobicContact CG-CG 4.38Å; M314-F335 HydrophobicContact SD-CB 3.76Å; M314-F335 HydrophobicContact SD-CD1 3.8Å; M314-F335 HydrophobicContact SD-CG 3.84Å; E331-F335 WeakPolarHBondContact O-CB 3.41Å; E331-F335 PolarHBondContact O-N 3.19Å; I332-F335 PolarHBondContact O-N 3.29Å; F335-G337 PolarHBondContact O-N 2.85Å; F335-P426 HydrophobicContact CB-CG 4.43Å; F335-P426 HydrophobicContact CD2-CB 3.69Å; F335-P426 HydrophobicContact CD2-CG 4.06Å; F335-P426 HydrophobicContact CE2-CB 4.12Å; F335-P426 HydrophobicContact CG-CG 4.48Å; F335-L428 HydrophobicContact CD2-CD2 4.34Å
336	L	97.3	Very high	95.7	Very high	5 Å²	5	53 Å²	53	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-69.7	-23.1	177.3	-68.4	175.4	0	0	0	112.3	L77 I79 L96 K244 I246 I332 Y333 D334 L338	L77-L336 HydrophobicContact CD2-CB 4.17Å; L77-L336 HydrophobicContact CD2-CD2 4.29Å; I79-L336 HydrophobicContact CD1-CD1 3.87Å; I79-L336 HydrophobicContact CD1-CD2 4.24Å; I79-L336 HydrophobicContact CG1-CD1 4.49Å; I79-L336 HydrophobicContact CG1-CD2 3.99Å; I79-L336 HydrophobicContact CG2-CD1 4.47Å; I79-L336 HydrophobicContact CG2-CD2 4.08Å; L96-L336 HydrophobicContact CD2-CD1 3.8Å; K244-L336 HydrophobicContact CB-CD2 3.98Å; K244-L336 HydrophobicContact CD-CD2 3.98Å; K244-L336 PolarHBondContact NZ-O 3.17Å; I246-L336 HydrophobicContact CD1-CD1 4.25Å; I246-L336 HydrophobicContact CD1-CD2 4.3Å; I246-L336 HydrophobicContact CD1-CG 4.5Å; I332-L336 HydrophobicContact CG2-CD1 4.06Å; I332-L336 HydrophobicContact CG2-CG 4.48Å; I332-L336 VanDerWaalsContact O-CG 3.25Å; I332-L336 WeakPolarHBondContact O-CG 3.44Å; I332-L336 PolarHBondContact O-N 2.61Å; Y333-L336 CarbonylContact O-C 3.53Å; Y333-L336 PolarHBondContact O-N 3.48Å; Y333-L336 VanDerWaalsContact O-N 3.15Å; D334-L336 VanDerWaalsContact C-N 3.29Å; D334-L336 PolarHBondContact O-N 2.96Å; L336-L338 HydrophobicContact CB-CB 4.42Å; L336-L338 HydrophobicContact CB-CD1 4.16Å; L336-L338 HydrophobicContact CB-CG 3.99Å; L336-L338 HydrophobicContact CD1-CD1 4.35Å
337	G	96.4	Very high	95.4	Very high	62 Å²	62	50.7 Å²	50.7	64%	0.639	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	29.6	-172	0	0	0	0	0	112	Y333 D334 F335	Y333-G337 PolarHBondContact O-N 3.33Å; D334-G337 PolarHBondContact O-N 3.34Å; F335-G337 PolarHBondContact O-N 2.85Å
338	L	96.8	Very high	95.3	Very high	22 Å²	22	46 Å²	46	12%	0.115	23%	0.232	C	C	.	.			trans	-116.9	148.4	-178	-60.5	-177.5	0	0	0	110.5	L77 I79 I102 H218 Y333 L336	L77-L338 HydrophobicContact CD2-CD1 4.09Å; L77-L338 HydrophobicContact CD2-CD2 4.34Å; L77-L338 HydrophobicContact CD2-CG 4.19Å; I79-L338 HydrophobicContact CD1-CD1 4.32Å; I102-L338 HydrophobicContact CD1-CD1 3.99Å; H218-L338 WeakPolarHBondContact NE2-CD2 3.38Å; Y333-L338 CarbonylContact C-O 3.11Å; Y333-L338 HydrophobicContact CD1-CB 3.78Å; Y333-L338 HydrophobicContact CE1-CB 4.33Å; Y333-L338 PolarHBondContact O-N 2.94Å; L336-L338 HydrophobicContact CB-CB 4.42Å; L336-L338 HydrophobicContact CB-CD1 4.16Å; L336-L338 HydrophobicContact CB-CG 3.99Å; L336-L338 HydrophobicContact CD1-CD1 4.35Å
339	H	96.3	Very high	95	Very high	130 Å²	130	50.7 Å²	50.7	60%	0.602	25%	0.249	S	C	*	.			trans	-78.6	134.4	172	173.3	-90.8	0	0	0	110.6	H99 D341	H99-H339 PolarHBondContact CD2-O 3.48Å; H99-H339 PolarHBondContact NE2-O 3.22Å; H99-H339 VanDerWaalsContact NE2-O 3.13Å; H339-D341 IonicContact ND1-OD1 3.78Å; H339-D341 PolarHBondContact O-N 3.21Å
340	M	96.1	Very high	94.5	Very high	5 Å²	5	53.5 Å²	53.5	3%	0.025	27%	0.273	C	S	.	.			trans	-78.7	102.8	175.2	-177.2	170.2	61.2	0	0	111.4	T329 Q330 Y333 V344 K345 I348	T329-M340 HydrophobicContact CG2-SD 3.58Å; T329-M340 VanDerWaalsContact CG2-SD 3.58Å; Q330-M340 HydrophobicContact CB-CE 4.05Å; Y333-M340 HydrophobicContact CD1-CB 4.13Å; Y333-M340 HydrophobicContact CD2-CB 4.17Å; Y333-M340 HydrophobicContact CD2-CG 4.18Å; Y333-M340 HydrophobicContact CD2-SD 4.37Å; Y333-M340 HydrophobicContact CE2-CG 4.32Å; Y333-M340 HydrophobicContact CG-CB 3.87Å; Y333-M340 HydrophobicContact CG-CG 4.37Å; M340-V344 HydrophobicContact CG-CB 3.99Å; M340-V344 HydrophobicContact CG-CG1 3.92Å; M340-V344 HydrophobicContact SD-CG1 4.06Å; M340-K345 HydrophobicContact CE-CD 4.1Å; M340-K345 HydrophobicContact CE-CG 3.68Å; M340-K345 HydrophobicContact CG-CG 4.19Å; M340-K345 HydrophobicContact SD-CG 4.15Å; M340-I348 HydrophobicContact SD-CD1 4.34Å
341	D	92.8	Very high	94	Very high	30 Å²	30	51.5 Å²	51.5	16%	0.16	26%	0.264	C	S	.	.			trans	-52.7	151.4	178	-77.3	-9.9	0	0	0	114.6	H99 Q100 H339 N343 V344 K345	H99-D341 IonicContact CD2-OD1 3.62Å; H99-D341 IonicContact CD2-OD2 3.41Å; H99-D341 PolarHBondContact CD2-OD2 3.1Å; H99-D341 IonicContact CE1-OD2 3.5Å; H99-D341 IonicContact CG-OD2 3.62Å; H99-D341 IonicContact ND1-OD2 2.77Å; H99-D341 IonicContact NE2-OD1 3.75Å; H99-D341 IonicContact NE2-OD2 2.77Å; Q100-D341 PolarHBondContact N-OD2 3.34Å; H339-D341 IonicContact ND1-OD1 3.78Å; H339-D341 PolarHBondContact O-N 3.21Å; D341-N343 PolarHBondContact O-N 3.02Å; D341-V344 HydrophobicContact CB-CG2 4.04Å; D341-V344 WeakPolarHBondContact O-CB 3.38Å; D341-V344 PolarHBondContact O-N 2.9Å; D341-V344 VanDerWaalsContact O-N 3.13Å; D341-K345 PolarHBondContact O-N 2.82Å
342	K	92.6	Very high	93.5	Very high	176 Å²	176	49 Å²	49	77%	0.765	25%	0.253	S	S	*	.	H	α-helix	trans	-57.4	-36.5	174	-66.6	-178.1	-177.5	175.8	0	111.9	V344 K345 H346	K342-V344 VanDerWaalsContact C-N 3.34Å; K342-V344 PolarHBondContact O-N 2.75Å; K342-K345 PolarHBondContact O-N 3.47Å; K342-H346 WeakPolarHBondContact O-CB 3.43Å; K342-H346 PolarHBondContact O-N 3.39Å
343	N	90.6	Very high	92.7	Very high	54 Å²	54	58.3 Å²	58.3	29%	0.289	29%	0.288	S	S	.	.	H	α-helix	trans	-61.7	-41.6	178.1	-68.5	-10.3	0	0	0	111.7	Q100 D341 H346 W347	Q100-N343 PolarHBondContact NE2-ND2 3.13Å; D341-N343 PolarHBondContact O-N 3.02Å; N343-H346 PolarHBondContact O-N 3.46Å; N343-W347 VanDerWaalsContact O-CB 3.31Å; N343-W347 WeakPolarHBondContact O-CB 3.46Å; N343-W347 PolarHBondContact O-N 2.84Å
344	V	93.8	Very high	91	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-48.1	176.8	-178.5	0	0	0	0	109.9	Q98 H99 T329 Y333 M340 D341 K342 H346 W347 I348	Q98-V344 HydrophobicContact CB-CB 4.46Å; Q98-V344 HydrophobicContact CB-CG2 3.88Å; H99-V344 HydrophobicContact CB-CG2 4.42Å; T329-V344 HydrophobicContact CG2-CG1 4.12Å; Y333-V344 HydrophobicContact CE2-CG1 4.04Å; Y333-V344 WeakPolarHBondContact OH-CG2 3.28Å; M340-V344 HydrophobicContact CG-CB 3.99Å; M340-V344 HydrophobicContact CG-CG1 3.92Å; M340-V344 HydrophobicContact SD-CG1 4.06Å; D341-V344 HydrophobicContact CB-CG2 4.04Å; D341-V344 WeakPolarHBondContact O-CB 3.38Å; D341-V344 PolarHBondContact O-N 2.9Å; D341-V344 VanDerWaalsContact O-N 3.13Å; K342-V344 VanDerWaalsContact C-N 3.34Å; K342-V344 PolarHBondContact O-N 2.75Å; V344-H346 PolarHBondContact O-N 2.94Å; V344-W347 PolarHBondContact O-N 3.47Å; V344-I348 HydrophobicContact CG1-CD1 4.02Å; V344-I348 VanDerWaalsContact O-CG1 3.28Å; V344-I348 WeakPolarHBondContact O-CG1 3.38Å; V344-I348 PolarHBondContact O-N 3.14Å
345	K	93.8	Very high	89.2	Confident	68 Å²	68	57.4 Å²	57.4	30%	0.296	30%	0.295	S	S	.	.	H	α-helix	trans	-59.3	-44.3	177.3	-69.4	174.8	-176.8	171.9	0	112.4	L326 M340 D341 K342 R349	L326-K345 HydrophobicContact CD2-CB 4.4Å; L326-K345 HydrophobicContact CD2-CG 4.37Å; M340-K345 HydrophobicContact CE-CD 4.1Å; M340-K345 HydrophobicContact CE-CG 3.68Å; M340-K345 HydrophobicContact CG-CG 4.19Å; M340-K345 HydrophobicContact SD-CG 4.15Å; D341-K345 PolarHBondContact O-N 2.82Å; K342-K345 PolarHBondContact O-N 3.47Å; K345-R349 WeakPolarHBondContact O-CG 3.1Å; K345-R349 PolarHBondContact O-N 2.71Å
346	H	91.3	Very high	87.3	Confident	115 Å²	115	64.5 Å²	64.5	53%	0.532	33%	0.333	S	S	.	.	H	α-helix	trans	-63.2	-48.5	177.6	-178.4	79.6	0	0	0	111	K342 N343 V344 I348 R349 A350	K342-H346 WeakPolarHBondContact O-CB 3.43Å; K342-H346 PolarHBondContact O-N 3.39Å; N343-H346 PolarHBondContact O-N 3.46Å; V344-H346 PolarHBondContact O-N 2.94Å; H346-I348 VanDerWaalsContact C-N 3.33Å; H346-I348 PolarHBondContact O-N 3.23Å; H346-R349 PolarHBondContact O-N 3.48Å; H346-A350 PolarHBondContact O-N 2.02Å
347	W	91.2	Very high	85.4	Confident	14 Å²	14	69.7 Å²	69.7	5%	0.053	36%	0.358	C	S	.	.	H	α-helix	trans	-59.2	-42.6	178.9	-175.6	92.6	0	0	0	112.2	F91 Q94 L95 Q98 N343 V344 R349 A350 N351 T366	F91-W347 AromaticContact CD2-CH2 3.71Å; F91-W347 HydrophobicContact CD2-CH2 3.71Å; F91-W347 AromaticContact CD2-CZ3 3.86Å; F91-W347 HydrophobicContact CD2-CZ3 3.86Å; F91-W347 AromaticContact CE2-CH2 3.82Å; F91-W347 HydrophobicContact CE2-CH2 3.82Å; F91-W347 AromaticContact CE2-CZ3 3.53Å; F91-W347 HydrophobicContact CE2-CZ3 3.53Å; F91-W347 HydrophobicContact CZ-CZ3 4.06Å; Q94-W347 HydrophobicContact CB-CH2 3.35Å; Q94-W347 HydrophobicContact CB-CZ2 3.34Å; Q94-W347 HydrophobicContact CB-CZ3 4.02Å; Q94-W347 HydrophobicContact CG-CH2 4.11Å; Q94-W347 HydrophobicContact CG-CZ2 3.75Å; L95-W347 HydrophobicContact CD2-CE3 4.14Å; L95-W347 HydrophobicContact CD2-CZ3 3.82Å; Q98-W347 VanDerWaalsContact CD-CD1 3.45Å; Q98-W347 HydrophobicContact CG-CB 3.8Å; Q98-W347 HydrophobicContact CG-CD2 3.88Å; Q98-W347 HydrophobicContact CG-CE3 4.47Å; Q98-W347 HydrophobicContact CG-CG 3.52Å; N343-W347 VanDerWaalsContact O-CB 3.31Å; N343-W347 WeakPolarHBondContact O-CB 3.46Å; N343-W347 PolarHBondContact O-N 2.84Å; V344-W347 PolarHBondContact O-N 3.47Å; W347-R349 PolarHBondContact O-N 2.87Å; W347-A350 PolarHBondContact O-N 3.36Å; W347-N351 HydrophobicContact CD2-CB 4.4Å; W347-N351 VanDerWaalsContact CE2-ND2 3.34Å; W347-N351 HydrophobicContact CE3-CB 4.44Å; W347-N351 HydrophobicContact CH2-CB 4.16Å; W347-N351 HydrophobicContact CZ2-CB 4.13Å; W347-N351 HydrophobicContact CZ3-CB 4.32Å; W347-N351 PolarHBondContact NE1-ND2 3.11Å; W347-N351 WeakPolarHBondContact O-CB 3.47Å; W347-N351 PolarHBondContact O-N 2.87Å; W347-N351 PolarHBondContact O-ND2 3.07Å; W347-T366 HydrophobicContact CH2-CG2 4.26Å; W347-T366 HydrophobicContact CZ2-CG2 4.31Å
348	I	92.2	Very high	83.3	Confident	1 Å²	1	71.1 Å²	71.1	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-56.8	-51.3	175.5	-70.7	163.4	0	0	0	110.7	L95 P325 L326 T329 M340 V344 H346 A350 N351 T352	L95-I348 HydrophobicContact CD2-CD1 3.89Å; L95-I348 HydrophobicContact CD2-CG1 3.55Å; P325-I348 HydrophobicContact CB-CG2 3.82Å; P325-I348 HydrophobicContact CG-CG2 4.08Å; L326-I348 HydrophobicContact CD2-CB 4.1Å; L326-I348 HydrophobicContact CD2-CD1 3.98Å; L326-I348 HydrophobicContact CD2-CG2 3.85Å; L326-I348 HydrophobicContact CG-CG2 3.91Å; T329-I348 HydrophobicContact CG2-CD1 3.93Å; M340-I348 HydrophobicContact SD-CD1 4.34Å; V344-I348 HydrophobicContact CG1-CD1 4.02Å; V344-I348 VanDerWaalsContact O-CG1 3.28Å; V344-I348 WeakPolarHBondContact O-CG1 3.38Å; V344-I348 PolarHBondContact O-N 3.14Å; H346-I348 VanDerWaalsContact C-N 3.33Å; H346-I348 PolarHBondContact O-N 3.23Å; I348-A350 VanDerWaalsContact C-N 3.29Å; I348-A350 PolarHBondContact O-N 3.01Å; I348-N351 PolarHBondContact O-N 3.46Å; I348-T352 HydrophobicContact CG2-CG2 4.13Å; I348-T352 WeakPolarHBondContact O-CB 3.36Å; I348-T352 VanDerWaalsContact O-CG2 3.3Å; I348-T352 WeakPolarHBondContact O-CG2 3.15Å; I348-T352 PolarHBondContact O-N 2.97Å; I348-T352 VanDerWaalsContact O-N 3.1Å; I348-T352 PolarHBondContact O-OG1 2.69Å
349	R	90.6	Very high	81.2	Confident	140 Å²	140	71.9 Å²	71.9	53%	0.528	36%	0.363	S	S	.	.	H	α-helix	trans	-60.8	-39.3	-178.9	-70.4	173.7	179.9	162.9	-1	112.1	L326 K345 H346 W347	L326-R349 HydrophobicContact CD1-CG 4.42Å; K345-R349 WeakPolarHBondContact O-CG 3.1Å; K345-R349 PolarHBondContact O-N 2.71Å; H346-R349 PolarHBondContact O-N 3.48Å; W347-R349 PolarHBondContact O-N 2.87Å
350	A	87.9	Confident	79.2	Confident	59 Å²	59	66.1 Å²	66.1	49%	0.488	34%	0.338	S	S	.	.	H	α-helix	trans	-70.4	-31	178.3	0	0	0	0	0	113.3	H346 W347 I348	H346-A350 PolarHBondContact O-N 2.02Å; W347-A350 PolarHBondContact O-N 3.36Å; I348-A350 VanDerWaalsContact C-N 3.29Å; I348-A350 PolarHBondContact O-N 3.01Å
351	N	87.3	Confident	77.3	Confident	15 Å²	15	73.7 Å²	73.7	8%	0.08	37%	0.37	C	S	.	.	H	α-helix	trans	-100.9	-9.8	-171.4	-77.2	-102.6	0	0	0	115.1	W347 I348 T366 V367 R368	W347-N351 HydrophobicContact CD2-CB 4.4Å; W347-N351 VanDerWaalsContact CE2-ND2 3.34Å; W347-N351 HydrophobicContact CE3-CB 4.44Å; W347-N351 HydrophobicContact CH2-CB 4.16Å; W347-N351 HydrophobicContact CZ2-CB 4.13Å; W347-N351 HydrophobicContact CZ3-CB 4.32Å; W347-N351 PolarHBondContact NE1-ND2 3.11Å; W347-N351 WeakPolarHBondContact O-CB 3.47Å; W347-N351 PolarHBondContact O-N 2.87Å; W347-N351 PolarHBondContact O-ND2 3.07Å; I348-N351 PolarHBondContact O-N 3.46Å; N351-T366 PolarHBondContact OD1-OG1 3.25Å; N351-V367 WeakPolarHBondContact O-CA 3.26Å; N351-V367 WeakPolarHBondContact OD1-CG2 3.13Å; N351-R368 PolarHBondContact O-N 2.86Å
352	T	85	Confident	76	Confident	14 Å²	14	77.6 Å²	77.6	9%	0.086	39%	0.387	C	S	.	.	H	α-helix	trans	-111.4	-10.7	-169.5	55.2	0	0	0	0	116.2	F91 P325 I348 G354 R368 D369 S370	F91-T352 HydrophobicContact CE2-CG2 3.53Å; F91-T352 HydrophobicContact CZ-CG2 3.52Å; P325-T352 HydrophobicContact CB-CG2 3.96Å; P325-T352 HydrophobicContact CG-CG2 3.96Å; I348-T352 HydrophobicContact CG2-CG2 4.13Å; I348-T352 WeakPolarHBondContact O-CB 3.36Å; I348-T352 VanDerWaalsContact O-CG2 3.3Å; I348-T352 WeakPolarHBondContact O-CG2 3.15Å; I348-T352 PolarHBondContact O-N 2.97Å; I348-T352 VanDerWaalsContact O-N 3.1Å; I348-T352 PolarHBondContact O-OG1 2.69Å; T352-G354 VanDerWaalsContact C-N 3.34Å; T352-R368 CarbonylContact C-O 3.44Å; T352-R368 WeakPolarHBondContact CA-O 3.39Å; T352-R368 VanDerWaalsContact O-O 3.06Å; T352-D369 WeakPolarHBondContact O-CA 3.35Å; T352-S370 PolarHBondContact O-N 3.3Å; T352-S370 VanDerWaalsContact O-N 3.12Å
353	R	81.1	Confident	74.8	Confident	199 Å²	199	73 Å²	73	75%	0.751	37%	0.368	S	S	*	.	B	Isolated β-bridge	trans	-89.2	3.6	-176.9	-67.9	-177.1	173.4	-165.7	-3.5	114.5
354	G	64.3	Low	73.6	Confident	34 Å²	34	74.2 Å²	74.2	35%	0.351	37%	0.37	S	S	.	.			trans	74.5	148	-167.6	0	0	0	0	0	112	T352 R368 D369	T352-G354 VanDerWaalsContact C-N 3.34Å; G354-R368 PolarHBondContact N-O 2.89Å; G354-R368 VanDerWaalsContact N-O 3.13Å; G354-D369 VanDerWaalsContact CA-N 3.28Å
355	S	59.4	Low	72.2	Confident	49 Å²	49	75.6 Å²	75.6	34%	0.343	39%	0.385	S	S	.	.			trans	-147.2	147	175	175	0	0	0	0	108.6	E357 A360	S355-E357 PolarHBondContact O-N 3.24Å; S355-E357 WeakPolarHBondContact OG-CB 3.25Å; S355-E357 WeakPolarHBondContact OG-CG 3.49Å; S355-E357 PolarHBondContact OG-N 2.68Å; S355-A360 WeakPolarHBondContact O-CB 3.05Å
356	N	56.8	Low	71.2	Confident	162 Å²	162	74 Å²	74	87%	0.866	38%	0.38	S	S	*	.			trans	-81.2	-1.8	174.2	-70.7	-27.2	0	0	0	112.6
357	E	57.5	Low	70.5	Confident	115 Å²	115	69.6 Å²	69.6	54%	0.537	36%	0.362	S	S	.	.	S	Bend	trans	-62.5	149.1	-178.4	-71.9	-61.5	149.8	0	0	113.2	S355 S359 A360	S355-E357 PolarHBondContact O-N 3.24Å; S355-E357 WeakPolarHBondContact OG-CB 3.25Å; S355-E357 WeakPolarHBondContact OG-CG 3.49Å; S355-E357 PolarHBondContact OG-N 2.68Å; E357-S359 PolarHBondContact O-N 2.94Å; E357-A360 VanDerWaalsContact O-CB 3.24Å; E357-A360 WeakPolarHBondContact O-CB 3.23Å; E357-A360 PolarHBondContact O-N 3.26Å
358	P	52	Low	69.7	Low	91 Å²	91	72.5 Å²	72.5	59%	0.591	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-57.4	-31.3	177.2	-23.1	33.4	0	0	0	113.8	A360 K361	P358-A360 PolarHBondContact O-N 3.43Å; P358-K361 WeakPolarHBondContact O-CA 3.31Å; P358-K361 VanDerWaalsContact O-CB 3.3Å; P358-K361 WeakPolarHBondContact O-CB 3.14Å; P358-K361 PolarHBondContact O-N 2.97Å
359	S	52.8	Low	69.3	Low	39 Å²	39	75.9 Å²	75.9	27%	0.273	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-61.7	-29.5	175.2	61.8	0	0	0	0	112.4	E357 K361 H362	E357-S359 PolarHBondContact O-N 2.94Å; S359-K361 PolarHBondContact O-N 3.23Å; S359-H362 PolarHBondContact O-N 3.41Å
360	A	55.2	Low	69	Low	9 Å²	9	70 Å²	70	7%	0.074	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-71.4	-14.2	171.8	0	0	0	0	0	113.1	S355 E357 P358 V367 R368	S355-A360 WeakPolarHBondContact O-CB 3.05Å; E357-A360 VanDerWaalsContact O-CB 3.24Å; E357-A360 WeakPolarHBondContact O-CB 3.23Å; E357-A360 PolarHBondContact O-N 3.26Å; P358-A360 PolarHBondContact O-N 3.43Å; A360-V367 HydrophobicContact CB-CB 4.3Å; A360-V367 HydrophobicContact CB-CG1 3.97Å; A360-R368 PolarHBondContact O-NH1 3.26Å; A360-R368 PolarHBondContact O-NH2 3.37Å; A360-R368 VanDerWaalsContact O-NH2 3.15Å
361	K	55.6	Low	68.8	Low	163 Å²	163	69.1 Å²	69.1	71%	0.709	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-87.4	-17.1	176.4	-59	179.6	-178	173.2	0	112.6	P358 S359 K363	P358-K361 WeakPolarHBondContact O-CA 3.31Å; P358-K361 VanDerWaalsContact O-CB 3.3Å; P358-K361 WeakPolarHBondContact O-CB 3.14Å; P358-K361 PolarHBondContact O-N 2.97Å; S359-K361 PolarHBondContact O-N 3.23Å; K361-K363 PolarHBondContact O-N 3.48Å
362	H	65.7	Low	68.7	Low	112 Å²	112	71 Å²	71	52%	0.519	38%	0.381	S	S	.	.			trans	-68.2	127.6	-178.5	-168.8	-102.3	0	0	0	112.4	S359 F364 G365 R368	S359-H362 PolarHBondContact O-N 3.41Å; H362-F364 AromaticContact CE1-CD2 3.93Å; H362-F364 PolarHBondContact ND1-N 3.28Å; H362-F364 PolarHBondContact O-N 3.13Å; H362-F364 VanDerWaalsContact O-N 3.09Å; H362-G365 PolarHBondContact ND1-N 3.05Å; H362-G365 PolarHBondContact O-N 3.1Å; H362-R368 PolarHBondContact O-NH2 3.06Å
363	K	66.1	Low	68.8	Low	81 Å²	81	72.2 Å²	72.2	35%	0.352	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-29.9	-172.9	-64.9	-171.2	-179	-173.8	0	113.8	R86 E261 T262 K361	R86-K363 PolarHBondContact NH1-O 2.83Å; R86-K363 PolarHBondContact NH2-O 3.31Å; E261-K363 PolarHBondContact O-NZ 3.2Å; T262-K363 HydrophobicContact CG2-CD 4.41Å; K361-K363 PolarHBondContact O-N 3.48Å
364	F	65.4	Low	69.3	Low	78 Å²	78	62.9 Å²	62.9	34%	0.342	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	5.2	179.2	-57.4	-77.7	0	0	0	113.8	T262 F263 H362	T262-F364 HydrophobicContact CG2-CE1 3.74Å; T262-F364 HydrophobicContact CG2-CE2 4.18Å; T262-F364 HydrophobicContact CG2-CZ 3.41Å; T262-F364 VanDerWaalsContact CG2-CZ 3.41Å; F263-F364 HydrophobicContact CE1-CE1 4.41Å; F263-F364 HydrophobicContact CE1-CZ 4.12Å; F263-F364 HydrophobicContact CZ-CE1 4.35Å; H362-F364 AromaticContact CE1-CD2 3.93Å; H362-F364 PolarHBondContact ND1-N 3.28Å; H362-F364 PolarHBondContact O-N 3.13Å; H362-F364 VanDerWaalsContact O-N 3.09Å
365	G	65.9	Low	70.7	Confident	29 Å²	29	62.7 Å²	62.7	30%	0.299	34%	0.343	S	S	.	.			trans	-70.2	159.9	177.9	0	0	0	0	0	113.1	H362	H362-G365 PolarHBondContact ND1-N 3.05Å; H362-G365 PolarHBondContact O-N 3.1Å
366	T	72.8	Confident	72.3	Confident	34 Å²	34	61.7 Å²	61.7	21%	0.209	34%	0.336	C	S	.	.	S	Bend	trans	-99.6	-18.4	-178.3	46.1	0	0	0	0	114	Q94 W347 N351 R368	Q94-T366 HydrophobicContact CG-CG2 4Å; W347-T366 HydrophobicContact CH2-CG2 4.26Å; W347-T366 HydrophobicContact CZ2-CG2 4.31Å; N351-T366 PolarHBondContact OD1-OG1 3.25Å; T366-R368 PolarHBondContact O-N 3.43Å
367	V	76.7	Confident	74.2	Confident	24 Å²	24	54.3 Å²	54.3	15%	0.145	30%	0.296	C	S	.	.			trans	-74.4	111.8	176.7	-176.4	0	0	0	0	109.6	N351 A360	N351-V367 WeakPolarHBondContact O-CA 3.26Å; N351-V367 WeakPolarHBondContact OD1-CG2 3.13Å; A360-V367 HydrophobicContact CB-CB 4.3Å; A360-V367 HydrophobicContact CB-CG1 3.97Å
368	R	74.4	Confident	76.1	Confident	74 Å²	74	48.9 Å²	48.9	28%	0.279	27%	0.271	S	S	.	.	S	Bend	trans	-154	161.9	178.4	-63.4	-67.7	173.7	-176.8	-9.7	109.8	N351 T352 G354 A360 H362 T366 S370 N373	N351-R368 PolarHBondContact O-N 2.86Å; T352-R368 CarbonylContact C-O 3.44Å; T352-R368 WeakPolarHBondContact CA-O 3.39Å; T352-R368 VanDerWaalsContact O-O 3.06Å; G354-R368 PolarHBondContact N-O 2.89Å; G354-R368 VanDerWaalsContact N-O 3.13Å; A360-R368 PolarHBondContact O-NH1 3.26Å; A360-R368 PolarHBondContact O-NH2 3.37Å; A360-R368 VanDerWaalsContact O-NH2 3.15Å; H362-R368 PolarHBondContact O-NH2 3.06Å; T366-R368 PolarHBondContact O-N 3.43Å; R368-S370 PolarHBondContact O-N 3.34Å; R368-N373 HydrophobicContact CB-CB 4.38Å
369	D	82.6	Confident	78.2	Confident	73 Å²	73	50.1 Å²	50.1	39%	0.39	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-70.6	106.3	150.3	179.2	-28.7	0	0	0	106.1	T352 G354 A371 A372 N373	T352-D369 WeakPolarHBondContact O-CA 3.35Å; G354-D369 VanDerWaalsContact CA-N 3.28Å; D369-A371 PolarHBondContact OD1-N 3.04Å; D369-A372 HydrophobicContact CB-CB 4.01Å; D369-A372 VanDerWaalsContact CG-CB 3.41Å; D369-A372 WeakPolarHBondContact OD1-CB 3.44Å; D369-A372 PolarHBondContact OD1-N 2.95Å; D369-A372 WeakPolarHBondContact OD2-CB 3.13Å; D369-N373 WeakPolarHBondContact O-CB 3.41Å; D369-N373 PolarHBondContact O-N 3.02Å
370	S	83.8	Confident	80.2	Confident	15 Å²	15	52 Å²	52	11%	0.105	28%	0.275	C	S	.	.	H	α-helix	trans	-66.2	-42.9	-171.4	55	0	0	0	0	111.6	A322 T352 R368 A374	A322-S370 WeakPolarHBondContact CB-O 3.29Å; A322-S370 WeakPolarHBondContact O-CB 3.27Å; A322-S370 PolarHBondContact O-OG 3.34Å; T352-S370 PolarHBondContact O-N 3.3Å; T352-S370 VanDerWaalsContact O-N 3.12Å; R368-S370 PolarHBondContact O-N 3.34Å; S370-A374 PolarHBondContact O-N 3.41Å; S370-A374 VanDerWaalsContact O-N 3.13Å
371	A	84.3	Confident	82.2	Confident	41 Å²	41	52 Å²	52	34%	0.339	27%	0.274	S	S	.	.	H	α-helix	trans	-68.1	-48.9	-178	0	0	0	0	0	111.2	A322 D369 N373 A374	A322-A371 PolarHBondContact O-N 2.88Å; D369-A371 PolarHBondContact OD1-N 3.04Å; A371-N373 VanDerWaalsContact C-N 3.33Å; A371-N373 PolarHBondContact O-N 2.99Å; A371-A374 WeakPolarHBondContact O-CB 3.29Å; A371-A374 PolarHBondContact O-N 3.45Å
372	A	84.8	Confident	84.2	Confident	54 Å²	54	46.1 Å²	46.1	45%	0.446	25%	0.253	S	S	.	.	H	α-helix	trans	-64.4	-38.5	178.2	0	0	0	0	0	111.9	D369 A374 E375 S376	D369-A372 HydrophobicContact CB-CB 4.01Å; D369-A372 VanDerWaalsContact CG-CB 3.41Å; D369-A372 WeakPolarHBondContact OD1-CB 3.44Å; D369-A372 PolarHBondContact OD1-N 2.95Å; D369-A372 WeakPolarHBondContact OD2-CB 3.13Å; A372-A374 VanDerWaalsContact C-N 3.28Å; A372-A374 PolarHBondContact O-N 3.23Å; A372-E375 PolarHBondContact O-N 3.06Å; A372-S376 PolarHBondContact O-N 3.22Å
373	N	87.3	Confident	85.7	Confident	40 Å²	40	42.5 Å²	42.5	21%	0.214	24%	0.235	C	C	.	.	H	α-helix	trans	-64.2	-32.7	177.6	-179.4	79.7	0	0	0	112.6	Y318 R368 D369 A371 E375 S376	Y318-N373 PolarHBondContact OH-ND2 3.03Å; R368-N373 HydrophobicContact CB-CB 4.38Å; D369-N373 WeakPolarHBondContact O-CB 3.41Å; D369-N373 PolarHBondContact O-N 3.02Å; A371-N373 VanDerWaalsContact C-N 3.33Å; A371-N373 PolarHBondContact O-N 2.99Å; N373-E375 VanDerWaalsContact C-N 3.33Å; N373-E375 PolarHBondContact O-N 3.44Å; N373-S376 PolarHBondContact O-N 3.37Å; N373-S376 PolarHBondContact O-OG 3.12Å
374	A	91.7	Very high	87.2	Confident	4 Å²	4	42.4 Å²	42.4	3%	0.033	24%	0.238	C	C	.	.	H	α-helix	trans	-63.9	-37.8	177	0	0	0	0	0	112.6	Y318 A322 S370 A371 A372	Y318-A374 HydrophobicContact CD1-CB 4.42Å; Y318-A374 HydrophobicContact CE1-CB 3.79Å; A322-A374 HydrophobicContact CB-CB 3.85Å; S370-A374 PolarHBondContact O-N 3.41Å; S370-A374 VanDerWaalsContact O-N 3.13Å; A371-A374 WeakPolarHBondContact O-CB 3.29Å; A371-A374 PolarHBondContact O-N 3.45Å; A372-A374 VanDerWaalsContact C-N 3.28Å; A372-A374 PolarHBondContact O-N 3.23Å
375	E	93.7	Very high	88.7	Confident	30 Å²	30	38.7 Å²	38.7	14%	0.14	22%	0.222	C	C	.	.	H	α-helix	trans	-89	-11.6	180	-62.3	-70.8	152.8	0	0	113.4	R323 A372 N373 W377 R378 L414	R323-E375 IonicContact NH2-OE1 3.48Å; A372-E375 PolarHBondContact O-N 3.06Å; N373-E375 VanDerWaalsContact C-N 3.33Å; N373-E375 PolarHBondContact O-N 3.44Å; E375-W377 PolarHBondContact O-N 3.21Å; E375-R378 VanDerWaalsContact O-CB 3.31Å; E375-R378 WeakPolarHBondContact O-CB 3.48Å; E375-R378 WeakPolarHBondContact O-CG 3.36Å; E375-R378 PolarHBondContact O-N 2.97Å; E375-R378 WeakPolarHBondContact OE2-CD 3.48Å; E375-R378 IonicContact OE2-NE 3.73Å; E375-R378 IonicContact OE2-NH1 3.3Å; E375-R378 PolarHBondContact OE2-NH1 3.09Å; E375-L414 HydrophobicContact CB-CD2 4.39Å
376	S	93.8	Very high	90.3	Very high	28 Å²	28	37.3 Å²	37.3	20%	0.196	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-22.7	-171.7	67.9	0	0	0	0	115.7	A372 N373 R378 L379 K380	A372-S376 PolarHBondContact O-N 3.22Å; N373-S376 PolarHBondContact O-N 3.37Å; N373-S376 PolarHBondContact O-OG 3.12Å; S376-R378 PolarHBondContact O-N 3.15Å; S376-L379 PolarHBondContact O-N 3.04Å; S376-K380 WeakPolarHBondContact O-CG 3.45Å; S376-K380 PolarHBondContact O-N 3Å
377	W	96.9	Very high	91.5	Very high	6 Å²	6	39.7 Å²	39.7	2%	0.023	22%	0.216	C	C	.	.	H	α-helix	trans	-64.5	-28.2	177.9	66	-92.4	0	0	0	112.7	R253 E375 L379 K380 L381 V386 V405 L411 L418	R253-W377 HydrophobicContact CB-CD2 4Å; R253-W377 HydrophobicContact CB-CE3 3.76Å; R253-W377 HydrophobicContact CB-CH2 4.17Å; R253-W377 HydrophobicContact CB-CZ2 4.38Å; R253-W377 HydrophobicContact CB-CZ3 3.86Å; R253-W377 HydrophobicContact CG-CZ3 4.36Å; E375-W377 PolarHBondContact O-N 3.21Å; W377-L379 PolarHBondContact O-N 3.32Å; W377-K380 PolarHBondContact O-N 2.97Å; W377-K380 VanDerWaalsContact O-N 3.13Å; W377-L381 HydrophobicContact CE3-CD1 4.39Å; W377-L381 PolarHBondContact O-N 3.24Å; W377-V386 HydrophobicContact CE3-CG2 4.15Å; W377-V386 HydrophobicContact CZ3-CG1 4.04Å; W377-V386 HydrophobicContact CZ3-CG2 3.74Å; W377-V405 HydrophobicContact CH2-CG2 4.31Å; W377-L411 HydrophobicContact CE3-CD1 4.38Å; W377-L411 HydrophobicContact CH2-CD1 4.27Å; W377-L411 HydrophobicContact CZ3-CD1 3.67Å; W377-L418 HydrophobicContact CH2-CD1 3.69Å; W377-L418 HydrophobicContact CZ2-CD1 3.81Å
378	R	97	Very high	92.5	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.008	22%	0.218	C	C	.	.	H	α-helix	trans	-62	-32.3	-179.8	-66.6	178.4	69.2	175	5.1	112.9	E375 S376 E410 L411 N413 L414 F416 L418	E375-R378 VanDerWaalsContact O-CB 3.31Å; E375-R378 WeakPolarHBondContact O-CB 3.48Å; E375-R378 WeakPolarHBondContact O-CG 3.36Å; E375-R378 PolarHBondContact O-N 2.97Å; E375-R378 WeakPolarHBondContact OE2-CD 3.48Å; E375-R378 IonicContact OE2-NE 3.73Å; E375-R378 IonicContact OE2-NH1 3.3Å; E375-R378 PolarHBondContact OE2-NH1 3.09Å; S376-R378 PolarHBondContact O-N 3.15Å; R378-E410 PolarHBondContact NH2-O 3.45Å; R378-L411 HydrophobicContact CB-CD1 4.1Å; R378-L411 WeakPolarHBondContact CB-O 3.45Å; R378-L411 HydrophobicContact CG-CD1 4.22Å; R378-L411 PolarHBondContact NE-O 3.5Å; R378-L411 PolarHBondContact NH2-O 3.2Å; R378-L411 WeakPolarHBondContact O-CG 3.24Å; R378-N413 VanDerWaalsContact NH2-C 3.26Å; R378-N413 PolarHBondContact NH2-O 3.5Å; R378-L414 HydrophobicContact CB-CD2 4.15Å; R378-F416 PolarHBondContact NH1-O 3.39Å; R378-L418 HydrophobicContact CG-CD1 4.23Å
379	L	95.6	Very high	93.6	Very high	116 Å²	116	36.9 Å²	36.9	61%	0.607	21%	0.205	S	C	*	.	H	α-helix	trans	-91.9	-15.6	178.4	-56.5	-179	0	0	0	113	S376 W377 L414	S376-L379 PolarHBondContact O-N 3.04Å; W377-L379 PolarHBondContact O-N 3.32Å; L379-L414 HydrophobicContact CD1-CD1 4.25Å
380	K	95.4	Very high	94.3	Very high	79 Å²	79	34.4 Å²	34.4	34%	0.343	19%	0.191	S	C	.	.	H	α-helix	trans	-98.3	-24.5	-173.8	-72.9	177.4	176.1	-174.2	0	113.9	E261 R274 S376 W377	E261-K380 IonicContact OE1-NZ 3.67Å; E261-K380 IonicContact OE2-NZ 2.73Å; E261-K380 PolarHBondContact OE2-NZ 3.45Å; R274-K380 WeakPolarHBondContact CD-O 3.44Å; S376-K380 WeakPolarHBondContact O-CG 3.45Å; S376-K380 PolarHBondContact O-N 3Å; W377-K380 PolarHBondContact O-N 2.97Å; W377-K380 VanDerWaalsContact O-N 3.13Å
381	L	97.1	Very high	95	Very high	9 Å²	9	38.5 Å²	38.5	5%	0.047	22%	0.215	C	C	.	.	S	Bend	trans	-104.6	145	-178.8	-62.3	-176.5	0	0	0	110.3	I260 W377 I385 V386	I260-L381 HydrophobicContact CD1-CD2 4.13Å; W377-L381 HydrophobicContact CE3-CD1 4.39Å; W377-L381 PolarHBondContact O-N 3.24Å; L381-I385 HydrophobicContact CD1-CG2 4.2Å; L381-I385 HydrophobicContact CD2-CG2 4.09Å; L381-V386 HydrophobicContact CB-CG2 3.77Å; L381-V386 HydrophobicContact CD1-CG2 4.18Å
382	S	97.2	Very high	95.6	Very high	39 Å²	39	40.5 Å²	40.5	27%	0.273	22%	0.218	S	C	.	.			trans	-72.3	157.9	167.1	61.3	0	0	0	0	110.5	D384 I385 V386	S382-D384 VanDerWaalsContact C-N 3.27Å; S382-D384 PolarHBondContact O-N 2.94Å; S382-I385 PolarHBondContact O-N 3.12Å; S382-I385 WeakPolarHBondContact OG-CG1 3.49Å; S382-V386 WeakPolarHBondContact O-CG2 3.19Å; S382-V386 PolarHBondContact O-N 3.39Å; S382-V386 VanDerWaalsContact O-N 3.11Å
383	Y	97.8	Very high	96.2	Very high	36 Å²	36	38 Å²	38	14%	0.141	20%	0.198	C	C	.	.	H	α-helix	trans	-57.1	-41.5	175.6	178.4	-98.1	0	0	0	111.6	I385 V386 E387 V405 K406 V408	Y383-I385 VanDerWaalsContact C-N 3.33Å; Y383-I385 PolarHBondContact O-N 2.74Å; Y383-V386 CarbonylContact O-C 3.54Å; Y383-V386 WeakPolarHBondContact O-CA 3.49Å; Y383-V386 WeakPolarHBondContact O-CB 3.43Å; Y383-V386 PolarHBondContact O-N 2.98Å; Y383-E387 HydrophobicContact CE1-CB 4.08Å; Y383-E387 HydrophobicContact CE1-CG 4.44Å; Y383-E387 WeakPolarHBondContact CE1-OE1 3.4Å; Y383-E387 WeakPolarHBondContact O-CB 3.43Å; Y383-E387 PolarHBondContact O-N 3.32Å; Y383-E387 PolarHBondContact OH-OE1 2.93Å; Y383-V405 HydrophobicContact CD2-CG1 4.17Å; Y383-V405 HydrophobicContact CE2-CG1 4.04Å; Y383-K406 PolarHBondContact OH-O 2.91Å; Y383-V408 HydrophobicContact CG-CG2 4.14Å
384	D	97.2	Very high	96.7	Very high	79 Å²	79	41.3 Å²	41.3	42%	0.422	21%	0.211	S	C	.	.	H	α-helix	trans	-58.7	-40.9	178.7	-49.1	-17.9	0	0	0	113.3	W273 S382 V386 F388	W273-D384 HydrophobicContact CZ2-CB 4.09Å; S382-D384 VanDerWaalsContact C-N 3.27Å; S382-D384 PolarHBondContact O-N 2.94Å; D384-V386 VanDerWaalsContact C-N 3.34Å; D384-F388 WeakPolarHBondContact O-CB 3.47Å; D384-F388 PolarHBondContact O-N 3.18Å
385	I	97.7	Very high	97	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-68	-39.8	176.3	-67.7	171.5	0	0	0	110	L256 W270 W273 R274 L381 S382 Y383 T389	L256-I385 HydrophobicContact CD2-CG2 3.98Å; W270-I385 HydrophobicContact CE3-CG2 4.49Å; W270-I385 HydrophobicContact CZ3-CG2 4.22Å; W273-I385 HydrophobicContact CB-CD1 4.38Å; W273-I385 HydrophobicContact CD2-CD1 4.13Å; W273-I385 HydrophobicContact CD2-CG1 3.56Å; W273-I385 HydrophobicContact CE3-CG1 3.91Å; W273-I385 HydrophobicContact CG-CD1 4.03Å; W273-I385 HydrophobicContact CG-CG1 3.96Å; W273-I385 HydrophobicContact CH2-CG1 4.32Å; W273-I385 HydrophobicContact CZ2-CG1 3.99Å; W273-I385 HydrophobicContact CZ3-CG1 4.27Å; R274-I385 HydrophobicContact CB-CD1 3.93Å; L381-I385 HydrophobicContact CD1-CG2 4.2Å; L381-I385 HydrophobicContact CD2-CG2 4.09Å; S382-I385 PolarHBondContact O-N 3.12Å; S382-I385 WeakPolarHBondContact OG-CG1 3.49Å; Y383-I385 VanDerWaalsContact C-N 3.33Å; Y383-I385 PolarHBondContact O-N 2.74Å; I385-T389 VanDerWaalsContact O-CB 3.29Å; I385-T389 WeakPolarHBondContact O-CB 3.44Å; I385-T389 PolarHBondContact O-N 3.43Å; I385-T389 PolarHBondContact O-OG1 3.49Å
386	V	98.3	Very high	97.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.1	-48.9	178.6	168.4	0	0	0	0	111	W377 L381 S382 Y383 D384 F388 T389 Q390 V405 L411	W377-V386 HydrophobicContact CE3-CG2 4.15Å; W377-V386 HydrophobicContact CZ3-CG1 4.04Å; W377-V386 HydrophobicContact CZ3-CG2 3.74Å; L381-V386 HydrophobicContact CB-CG2 3.77Å; L381-V386 HydrophobicContact CD1-CG2 4.18Å; S382-V386 WeakPolarHBondContact O-CG2 3.19Å; S382-V386 PolarHBondContact O-N 3.39Å; S382-V386 VanDerWaalsContact O-N 3.11Å; Y383-V386 CarbonylContact O-C 3.54Å; Y383-V386 WeakPolarHBondContact O-CA 3.49Å; Y383-V386 WeakPolarHBondContact O-CB 3.43Å; Y383-V386 PolarHBondContact O-N 2.98Å; D384-V386 VanDerWaalsContact C-N 3.34Å; V386-F388 VanDerWaalsContact C-N 3.34Å; V386-F388 PolarHBondContact O-N 3.5Å; V386-T389 PolarHBondContact O-N 3.39Å; V386-Q390 WeakPolarHBondContact O-CB 3.29Å; V386-Q390 WeakPolarHBondContact O-CG 3.28Å; V386-Q390 PolarHBondContact O-N 3.37Å; V386-V405 HydrophobicContact CG1-CB 4.12Å; V386-V405 HydrophobicContact CG1-CG2 4.24Å; V386-L411 HydrophobicContact CG1-CD1 4.35Å; V386-L411 HydrophobicContact CG2-CD1 3.98Å; V386-L411 HydrophobicContact CG2-CD2 4.04Å
387	E	98.1	Very high	97.4	Very high	84 Å²	84	45.6 Å²	45.6	39%	0.393	23%	0.226	S	C	.	.	H	α-helix	trans	-58.8	-45.9	177.8	-177.1	173.8	-109.2	0	0	111.2	Y383 T389 Q390 T391	Y383-E387 HydrophobicContact CE1-CB 4.08Å; Y383-E387 HydrophobicContact CE1-CG 4.44Å; Y383-E387 WeakPolarHBondContact CE1-OE1 3.4Å; Y383-E387 WeakPolarHBondContact O-CB 3.43Å; Y383-E387 PolarHBondContact O-N 3.32Å; Y383-E387 PolarHBondContact OH-OE1 2.93Å; E387-T389 PolarHBondContact O-N 3.01Å; E387-Q390 VanDerWaalsContact O-CG 3.25Å; E387-Q390 WeakPolarHBondContact O-CG 3.49Å; E387-Q390 PolarHBondContact O-N 3.31Å; E387-T391 WeakPolarHBondContact O-CB 3.3Å; E387-T391 PolarHBondContact O-N 3.06Å; E387-T391 PolarHBondContact O-OG1 3.18Å
388	F	97.4	Very high	97.4	Very high	40 Å²	40	52.7 Å²	52.7	18%	0.175	26%	0.257	C	S	.	.	H	α-helix	trans	-63.9	-43.9	176.6	-179.4	-112.4	0	0	0	112.2	W270 W273 L283 M285 D384 V386 T391 M392	W270-F388 AromaticContact CH2-CD1 3.84Å; W270-F388 HydrophobicContact CH2-CD1 3.84Å; W270-F388 AromaticContact CH2-CE1 3.64Å; W270-F388 HydrophobicContact CH2-CE1 3.64Å; W270-F388 HydrophobicContact CZ2-CE1 4.42Å; W270-F388 HydrophobicContact CZ3-CD1 4.14Å; W270-F388 HydrophobicContact CZ3-CE1 4.26Å; W273-F388 HydrophobicContact CH2-CB 3.66Å; W273-F388 AromaticContact CH2-CD1 3.54Å; W273-F388 HydrophobicContact CH2-CD1 3.54Å; W273-F388 HydrophobicContact CH2-CD2 4.38Å; W273-F388 HydrophobicContact CH2-CE1 4.13Å; W273-F388 AromaticContact CH2-CG 3.64Å; W273-F388 HydrophobicContact CH2-CG 3.64Å; W273-F388 HydrophobicContact CZ3-CB 4.44Å; W273-F388 AromaticContact CZ3-CD1 3.51Å; W273-F388 HydrophobicContact CZ3-CD1 3.51Å; W273-F388 AromaticContact CZ3-CE1 3.79Å; W273-F388 HydrophobicContact CZ3-CE1 3.79Å; W273-F388 HydrophobicContact CZ3-CG 4.1Å; L283-F388 HydrophobicContact CD2-CE1 4.03Å; M285-F388 HydrophobicContact CE-CD1 4.05Å; M285-F388 HydrophobicContact CE-CE1 3.02Å; M285-F388 HydrophobicContact CE-CE2 4.47Å; M285-F388 HydrophobicContact CE-CZ 3.27Å; M285-F388 HydrophobicContact CG-CZ 4.22Å; M285-F388 HydrophobicContact SD-CE1 3.29Å; M285-F388 WeakPolarHBondContact SD-CE1 3.38Å; M285-F388 HydrophobicContact SD-CZ 3.41Å; M285-F388 WeakPolarHBondContact SD-CZ 3.41Å; D384-F388 WeakPolarHBondContact O-CB 3.47Å; D384-F388 PolarHBondContact O-N 3.18Å; V386-F388 VanDerWaalsContact C-N 3.34Å; V386-F388 PolarHBondContact O-N 3.5Å; F388-T391 PolarHBondContact O-N 2.79Å; F388-M392 WeakPolarHBondContact O-CG 3.37Å; F388-M392 PolarHBondContact O-N 3.16Å; F388-M392 VanDerWaalsContact O-N 3.12Å
389	T	98	Very high	97.4	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.2	-44.8	178.5	-57.9	0	0	0	0	111.7	R253 L256 L288 I385 V386 E387 T391 M392 C393	R253-T389 HydrophobicContact CB-CG2 4.44Å; R253-T389 HydrophobicContact CG-CG2 3.73Å; L256-T389 HydrophobicContact CD2-CG2 4.19Å; L256-T389 WeakPolarHBondContact CD2-OG1 3.41Å; L288-T389 HydrophobicContact CD1-CG2 4.08Å; L288-T389 HydrophobicContact CD2-CG2 4.13Å; I385-T389 VanDerWaalsContact O-CB 3.29Å; I385-T389 WeakPolarHBondContact O-CB 3.44Å; I385-T389 PolarHBondContact O-N 3.43Å; I385-T389 PolarHBondContact O-OG1 3.49Å; V386-T389 PolarHBondContact O-N 3.39Å; E387-T389 PolarHBondContact O-N 3.01Å; T389-T391 VanDerWaalsContact C-N 3.3Å; T389-T391 PolarHBondContact O-N 2.97Å; T389-M392 PolarHBondContact O-N 3.21Å; T389-C393 VanDerWaalsContact O-CB 3.31Å; T389-C393 WeakPolarHBondContact O-CB 3.2Å; T389-C393 PolarHBondContact O-N 3.12Å
390	Q	97.8	Very high	97.4	Very high	21 Å²	21	48.5 Å²	48.5	10%	0.098	23%	0.234	C	C	.	.	H	α-helix	trans	-70.4	-28	-179.5	72.2	-173.7	29.1	0	0	112.8	V386 E387 C393 H394 L397 V405	V386-Q390 WeakPolarHBondContact O-CB 3.29Å; V386-Q390 WeakPolarHBondContact O-CG 3.28Å; V386-Q390 PolarHBondContact O-N 3.37Å; E387-Q390 VanDerWaalsContact O-CG 3.25Å; E387-Q390 WeakPolarHBondContact O-CG 3.49Å; E387-Q390 PolarHBondContact O-N 3.31Å; Q390-C393 CarbonylContact O-C 3.59Å; Q390-H394 WeakPolarHBondContact O-CA 3.27Å; Q390-H394 WeakPolarHBondContact O-CB 3.13Å; Q390-H394 PolarHBondContact O-N 2.9Å; Q390-L397 HydrophobicContact CB-CD1 3.4Å; Q390-V405 PolarHBondContact NE2-O 3.37Å; Q390-V405 PolarHBondContact OE1-O 3.4Å
391	T	97.4	Very high	97.5	Very high	100 Å²	100	44.7 Å²	44.7	61%	0.613	22%	0.218	S	C	*	.	H	α-helix	trans	-65.8	-50.8	172.4	-59.9	0	0	0	0	110.3	E387 F388 T389 C393 H394	E387-T391 WeakPolarHBondContact O-CB 3.3Å; E387-T391 PolarHBondContact O-N 3.06Å; E387-T391 PolarHBondContact O-OG1 3.18Å; F388-T391 PolarHBondContact O-N 2.79Å; T389-T391 VanDerWaalsContact C-N 3.3Å; T389-T391 PolarHBondContact O-N 2.97Å; T391-C393 VanDerWaalsContact C-N 3.32Å; T391-C393 PolarHBondContact O-N 3.43Å; T391-H394 PolarHBondContact O-N 3.03Å
392	M	97.1	Very high	97.6	Very high	84 Å²	84	44.6 Å²	44.6	41%	0.414	22%	0.217	S	C	.	.	H	α-helix	trans	-62.1	-39.4	178.2	-68.7	-67.4	-68.6	0	0	112.5	M285 L288 T289 F388 T389	M285-M392 HydrophobicContact CE-CE 4.21Å; M285-M392 HydrophobicContact CE-CG 4.22Å; L288-M392 HydrophobicContact CD2-CB 4.32Å; T289-M392 VanDerWaalsContact OG1-CE 3.27Å; T289-M392 WeakPolarHBondContact OG1-CE 3.14Å; F388-M392 WeakPolarHBondContact O-CG 3.37Å; F388-M392 PolarHBondContact O-N 3.16Å; F388-M392 VanDerWaalsContact O-N 3.12Å; T389-M392 PolarHBondContact O-N 3.21Å
393	C	98.1	Very high	97.6	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.014	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	20.4	-174	-58.7	0	0	0	0	113	P252 C292 T389 Q390 T391 K395 V396 L397	P252-C393 HydrophobicContact CB-CB 4.17Å; P252-C393 HydrophobicContact CG-CB 4.19Å; C292-C393 HydrophobicContact CB-CB 3.82Å; C292-C393 WeakPolarHBondContact CB-SG 3.35Å; C292-C393 WeakPolarHBondContact SG-CB 3.4Å; C292-C393 CovalentContact SG-SG 2.02Å; C292-C393 PolarHBondContact SG-SG 3.05Å; T389-C393 VanDerWaalsContact O-CB 3.31Å; T389-C393 WeakPolarHBondContact O-CB 3.2Å; T389-C393 PolarHBondContact O-N 3.12Å; Q390-C393 CarbonylContact O-C 3.59Å; T391-C393 VanDerWaalsContact C-N 3.32Å; T391-C393 PolarHBondContact O-N 3.43Å; C393-K395 VanDerWaalsContact C-N 3.3Å; C393-K395 PolarHBondContact O-N 3.25Å; C393-V396 HydrophobicContact CB-CG1 3.7Å; C393-V396 WeakPolarHBondContact O-CG1 3.38Å; C393-V396 PolarHBondContact O-N 3.05Å; C393-L397 HydrophobicContact CB-CG 4.45Å; C393-L397 WeakPolarHBondContact O-CG 3.35Å; C393-L397 PolarHBondContact O-N 2.97Å
394	H	97.9	Very high	97.6	Very high	108 Å²	108	46.4 Å²	46.4	50%	0.5	23%	0.229	S	C	.	.	H	α-helix	trans	-54	-45	-172.5	175.7	72.6	0	0	0	112.9	Q390 T391 V396 L397 K398	Q390-H394 WeakPolarHBondContact O-CA 3.27Å; Q390-H394 WeakPolarHBondContact O-CB 3.13Å; Q390-H394 PolarHBondContact O-N 2.9Å; T391-H394 PolarHBondContact O-N 3.03Å; H394-V396 PolarHBondContact O-N 3.38Å; H394-L397 PolarHBondContact O-N 3.15Å; H394-K398 WeakPolarHBondContact O-CB 3.5Å; H394-K398 PolarHBondContact O-N 3.08Å
395	K	97.8	Very high	97.6	Very high	145 Å²	145	42.6 Å²	42.6	63%	0.63	21%	0.209	S	C	*	.	H	α-helix	trans	-59	-49.8	-178.8	-65.3	-178.1	-178.7	176.4	0	111.9	F296 C393 Q399	F296-K395 HydrophobicContact CD2-CB 3.78Å; F296-K395 HydrophobicContact CE2-CB 3.88Å; F296-K395 HydrophobicContact CG-CB 4.37Å; F296-K395 HydrophobicContact CZ-CD 4.41Å; C393-K395 VanDerWaalsContact C-N 3.3Å; C393-K395 PolarHBondContact O-N 3.25Å; K395-Q399 WeakPolarHBondContact O-CB 3.46Å; K395-Q399 PolarHBondContact O-N 3.35Å
396	V	97.4	Very high	97.5	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.006	24%	0.244	C	C	.	.	H	α-helix	trans	-70.4	-36.4	-179.8	63.9	0	0	0	0	111.7	P252 C292 F295 F296 C393 H394 K398 Q399 L400	P252-V396 HydrophobicContact CG-CG1 3.91Å; C292-V396 HydrophobicContact CB-CG1 3.92Å; F295-V396 HydrophobicContact CB-CG2 3.62Å; F295-V396 HydrophobicContact CD2-CG2 4.18Å; F295-V396 HydrophobicContact CG-CG2 4.44Å; F296-V396 HydrophobicContact CB-CB 4.48Å; C393-V396 HydrophobicContact CB-CG1 3.7Å; C393-V396 WeakPolarHBondContact O-CG1 3.38Å; C393-V396 PolarHBondContact O-N 3.05Å; H394-V396 PolarHBondContact O-N 3.38Å; V396-K398 PolarHBondContact O-N 3.34Å; V396-Q399 PolarHBondContact O-N 2.91Å; V396-L400 HydrophobicContact CG2-CD1 3.61Å; V396-L400 HydrophobicContact CG2-CG 4.07Å; V396-L400 WeakPolarHBondContact O-CB 3.24Å; V396-L400 WeakPolarHBondContact O-CG 3.28Å; V396-L400 PolarHBondContact O-N 2.64Å
397	L	98.1	Very high	97.4	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-48.9	175.8	-71.1	-178.4	0	0	0	111.3	P252 Q390 C393 H394 L400 G401 Y402	P252-L397 HydrophobicContact CG-CD2 4.29Å; Q390-L397 HydrophobicContact CB-CD1 3.4Å; C393-L397 HydrophobicContact CB-CG 4.45Å; C393-L397 WeakPolarHBondContact O-CG 3.35Å; C393-L397 PolarHBondContact O-N 2.97Å; H394-L397 PolarHBondContact O-N 3.15Å; L397-L400 PolarHBondContact O-N 3.44Å; L397-G401 PolarHBondContact O-N 3.43Å; L397-G401 VanDerWaalsContact O-N 3.11Å; L397-Y402 HydrophobicContact CD2-CD2 3.66Å; L397-Y402 HydrophobicContact CD2-CG 4Å; L397-Y402 PolarHBondContact O-N 2.94Å
398	K	97.2	Very high	97.4	Very high	155 Å²	155	51.3 Å²	51.3	67%	0.674	26%	0.255	S	S	*	.	H	α-helix	trans	-61.2	-46.5	176	-174.7	178.1	178.9	179.7	0	111.7	H394 V396 L400 G401	H394-K398 WeakPolarHBondContact O-CB 3.5Å; H394-K398 PolarHBondContact O-N 3.08Å; V396-K398 PolarHBondContact O-N 3.34Å; K398-L400 VanDerWaalsContact C-N 3.3Å; K398-L400 PolarHBondContact O-N 3.44Å; K398-G401 PolarHBondContact O-N 2.93Å
399	Q	96.5	Very high	97.3	Very high	29 Å²	29	55.7 Å²	55.7	14%	0.136	28%	0.276	C	S	.	.	H	α-helix	trans	-61.2	-38.7	-178.8	-172.5	175.7	37.2	0	0	112.5	F296 V299 S300 L303 K395 V396 K422	F296-Q399 VanDerWaalsContact CD2-OE1 3.25Å; V299-Q399 HydrophobicContact CG1-CG 3.94Å; S300-Q399 PolarHBondContact OG-NE2 3.04Å; L303-Q399 HydrophobicContact CD1-CG 4.26Å; K395-Q399 WeakPolarHBondContact O-CB 3.46Å; K395-Q399 PolarHBondContact O-N 3.35Å; V396-Q399 PolarHBondContact O-N 2.91Å; Q399-K422 PolarHBondContact O-NZ 3.05Å
400	L	96.8	Very high	97.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-90.2	0.9	-178.1	-64.7	-178.8	0	0	0	114.3	V249 V299 L315 R317 V396 L397 K398 Y402 F424	V249-L400 HydrophobicContact CB-CD1 3.78Å; V249-L400 HydrophobicContact CB-CD2 4.23Å; V249-L400 HydrophobicContact CG1-CD1 4.21Å; V249-L400 HydrophobicContact CG1-CD2 4.33Å; V249-L400 HydrophobicContact CG2-CD1 4.09Å; V249-L400 HydrophobicContact CG2-CD2 3.82Å; V299-L400 HydrophobicContact CG1-CD2 4.02Å; V299-L400 HydrophobicContact CG2-CD2 4.08Å; L315-L400 HydrophobicContact CD2-CD2 4.39Å; R317-L400 PolarHBondContact NH1-O 3.46Å; V396-L400 HydrophobicContact CG2-CD1 3.61Å; V396-L400 HydrophobicContact CG2-CG 4.07Å; V396-L400 WeakPolarHBondContact O-CB 3.24Å; V396-L400 WeakPolarHBondContact O-CG 3.28Å; V396-L400 PolarHBondContact O-N 2.64Å; L397-L400 PolarHBondContact O-N 3.44Å; K398-L400 VanDerWaalsContact C-N 3.3Å; K398-L400 PolarHBondContact O-N 3.44Å; L400-Y402 HydrophobicContact CB-CD2 3.67Å; L400-Y402 HydrophobicContact CB-CE2 3.37Å; L400-Y402 HydrophobicContact CD1-CE2 3.7Å; L400-Y402 HydrophobicContact CG-CE2 4.2Å; L400-F424 HydrophobicContact CD2-CZ 4.26Å
401	G	97.3	Very high	97.2	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	32.5	177.6	0	0	0	0	0	113.8	L397 K398 Q420	L397-G401 PolarHBondContact O-N 3.43Å; L397-G401 VanDerWaalsContact O-N 3.11Å; K398-G401 PolarHBondContact O-N 2.93Å; G401-Q420 VanDerWaalsContact O-CB 3.25Å; G401-Q420 WeakPolarHBondContact O-CB 3.49Å; G401-Q420 VanDerWaalsContact O-CG 3.28Å; G401-Q420 WeakPolarHBondContact O-CG 3.36Å; G401-Q420 PolarHBondContact O-N 3.03Å
402	Y	97.9	Very high	97.1	Very high	7 Å²	7	58.6 Å²	58.6	3%	0.027	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-91.6	132.9	171	-58.6	-62.5	0	0	0	110.5	R250 D251 R317 E319 L397 L400 V419	R250-Y402 WeakPolarHBondContact CA-OH 3.45Å; D251-Y402 HydrophobicContact CB-CD1 4.12Å; D251-Y402 HydrophobicContact CB-CD2 4.5Å; D251-Y402 HydrophobicContact CB-CE1 3.87Å; D251-Y402 HydrophobicContact CB-CE2 4.25Å; D251-Y402 HydrophobicContact CB-CG 4.45Å; D251-Y402 VanDerWaalsContact N-CZ 3.34Å; D251-Y402 PolarHBondContact N-OH 2.97Å; D251-Y402 VanDerWaalsContact N-OH 3.09Å; R317-Y402 WeakPolarHBondContact CD-OH 3.19Å; R317-Y402 HydrophobicContact CG-CE1 4.39Å; R317-Y402 VanDerWaalsContact CG-OH 3.29Å; R317-Y402 WeakPolarHBondContact CG-OH 3.25Å; E319-Y402 HydrophobicContact CG-CE1 4.24Å; E319-Y402 PolarHBondContact OE2-OH 3.37Å; L397-Y402 HydrophobicContact CD2-CD2 3.66Å; L397-Y402 HydrophobicContact CD2-CG 4Å; L397-Y402 PolarHBondContact O-N 2.94Å; L400-Y402 HydrophobicContact CB-CD2 3.67Å; L400-Y402 HydrophobicContact CB-CE2 3.37Å; L400-Y402 HydrophobicContact CD1-CE2 3.7Å; L400-Y402 HydrophobicContact CG-CE2 4.2Å; Y402-V419 HydrophobicContact CD1-CG2 4.21Å; Y402-V419 HydrophobicContact CE1-CG2 4.35Å
403	K	97.6	Very high	97	Very high	64 Å²	64	58.4 Å²	58.4	28%	0.278	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-79.7	137.6	177.1	-58	-179.7	-170.3	163.3	0	110.2	R253 F416 S417 L418 Q420	R253-K403 PolarHBondContact NH1-O 3.26Å; R253-K403 PolarHBondContact NH2-O 3.48Å; K403-F416 HydrophobicContact CD-CE1 3.98Å; K403-F416 HydrophobicContact CD-CZ 3.78Å; K403-S417 WeakPolarHBondContact CD-O 3.36Å; K403-S417 PolarHBondContact NZ-O 3.01Å; K403-L418 HydrophobicContact CB-CD2 4.36Å; K403-L418 PolarHBondContact N-O 2.91Å; K403-Q420 HydrophobicContact CG-CG 4Å
404	A	97.4	Very high	96.7	Very high	48 Å²	48	62.6 Å²	62.6	40%	0.397	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-70.2	141.5	170.1	0	0	0	0	0	109.4
405	V	97.1	Very high	96.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-92.6	134.4	175.6	-179.1	0	0	0	0	107.9	W377 Y383 V386 Q390 S407 E410 L411 L418	W377-V405 HydrophobicContact CH2-CG2 4.31Å; Y383-V405 HydrophobicContact CD2-CG1 4.17Å; Y383-V405 HydrophobicContact CE2-CG1 4.04Å; V386-V405 HydrophobicContact CG1-CB 4.12Å; V386-V405 HydrophobicContact CG1-CG2 4.24Å; Q390-V405 PolarHBondContact NE2-O 3.37Å; Q390-V405 PolarHBondContact OE1-O 3.4Å; V405-S407 WeakPolarHBondContact CG1-O 3.29Å; V405-E410 HydrophobicContact CG1-CB 4.15Å; V405-E410 HydrophobicContact CG1-CG 4.31Å; V405-L411 HydrophobicContact CG1-CB 3.73Å; V405-L411 HydrophobicContact CG1-CD1 4.37Å; V405-L411 HydrophobicContact CG2-CD1 4.41Å; V405-L418 HydrophobicContact CG2-CD1 3.49Å; V405-L418 VanDerWaalsContact CG2-CD1 3.49Å; V405-L418 HydrophobicContact CG2-CD2 3.92Å; V405-L418 HydrophobicContact CG2-CG 4.37Å
406	K	96.2	Very high	96.1	Very high	170 Å²	170	60 Å²	60	74%	0.739	31%	0.306	S	S	*	.			trans	-109	-15.4	-173.6	-58.8	178.6	179.6	179.7	0	114.2	Y383 E410	Y383-K406 PolarHBondContact OH-O 2.91Å; K406-E410 WeakPolarHBondContact CB-OE2 3.34Å; K406-E410 PolarHBondContact N-OE2 2.93Å
407	S	97.2	Very high	95.9	Very high	38 Å²	38	61.8 Å²	61.8	27%	0.266	32%	0.318	S	S	.	.	S	Bend	trans	-152.4	169	178.6	86.4	0	0	0	0	112.8	V405 E409 E410 L411	V405-S407 WeakPolarHBondContact CG1-O 3.29Å; S407-E409 VanDerWaalsContact C-N 3.27Å; S407-E409 WeakPolarHBondContact CB-OE2 3.35Å; S407-E409 PolarHBondContact O-N 3.36Å; S407-E409 PolarHBondContact OG-N 3.5Å; S407-E409 PolarHBondContact OG-OE2 2.93Å; S407-E410 PolarHBondContact O-N 3.33Å; S407-E410 PolarHBondContact OG-N 3.47Å; S407-L411 PolarHBondContact O-N 3.32Å
408	V	96.9	Very high	95.8	Very high	59 Å²	59	61.5 Å²	61.5	36%	0.358	32%	0.317	S	S	.	.	H	α-helix	trans	-63.7	-36.1	175.3	178.8	0	0	0	0	110.9	Y383 L411 K412	Y383-V408 HydrophobicContact CG-CG2 4.14Å; V408-L411 WeakPolarHBondContact O-CB 3.45Å; V408-L411 PolarHBondContact O-N 3.48Å; V408-K412 HydrophobicContact CG1-CD 4.14Å; V408-K412 WeakPolarHBondContact O-CG 3.39Å; V408-K412 PolarHBondContact O-N 3.03Å; V408-K412 VanDerWaalsContact O-N 3.11Å
409	E	96.4	Very high	95.8	Very high	132 Å²	132	54.6 Å²	54.6	62%	0.617	29%	0.287	S	S	*	.	H	α-helix	trans	-66.7	-47.1	178.8	-57.7	67.1	-139.7	0	0	110.1	S407 L411 K412 N413	S407-E409 VanDerWaalsContact C-N 3.27Å; S407-E409 WeakPolarHBondContact CB-OE2 3.35Å; S407-E409 PolarHBondContact O-N 3.36Å; S407-E409 PolarHBondContact OG-N 3.5Å; S407-E409 PolarHBondContact OG-OE2 2.93Å; E409-L411 VanDerWaalsContact C-N 3.31Å; E409-L411 PolarHBondContact O-N 3.41Å; E409-K412 PolarHBondContact O-N 3.02Å; E409-N413 VanDerWaalsContact O-CB 3.28Å; E409-N413 WeakPolarHBondContact O-CB 3.33Å; E409-N413 PolarHBondContact O-N 2.96Å
410	E	96	Very high	95.7	Very high	44 Å²	44	57.4 Å²	57.4	21%	0.206	30%	0.3	C	S	.	.	H	α-helix	trans	-62.9	-39.4	175.8	-172.5	-179.5	-169.7	0	0	111.3	R378 V405 K406 S407 K412 N413 F416	R378-E410 PolarHBondContact NH2-O 3.45Å; V405-E410 HydrophobicContact CG1-CB 4.15Å; V405-E410 HydrophobicContact CG1-CG 4.31Å; K406-E410 WeakPolarHBondContact CB-OE2 3.34Å; K406-E410 PolarHBondContact N-OE2 2.93Å; S407-E410 PolarHBondContact O-N 3.33Å; S407-E410 PolarHBondContact OG-N 3.47Å; E410-K412 VanDerWaalsContact C-N 3.32Å; E410-K412 PolarHBondContact O-N 2.75Å; E410-N413 PolarHBondContact O-N 3Å; E410-F416 HydrophobicContact CG-CD1 4.37Å; E410-F416 WeakPolarHBondContact OE1-CE1 3.33Å
411	L	96.4	Very high	95.5	Very high	3 Å²	3	65.1 Å²	65.1	2%	0.016	34%	0.342	C	S	.	.	H	α-helix	trans	-56.4	-48.1	176	-177.7	53.8	0	0	0	111.1	W377 R378 V386 V405 S407 V408 E409	W377-L411 HydrophobicContact CE3-CD1 4.38Å; W377-L411 HydrophobicContact CH2-CD1 4.27Å; W377-L411 HydrophobicContact CZ3-CD1 3.67Å; R378-L411 HydrophobicContact CB-CD1 4.1Å; R378-L411 WeakPolarHBondContact CB-O 3.45Å; R378-L411 HydrophobicContact CG-CD1 4.22Å; R378-L411 PolarHBondContact NE-O 3.5Å; R378-L411 PolarHBondContact NH2-O 3.2Å; R378-L411 WeakPolarHBondContact O-CG 3.24Å; V386-L411 HydrophobicContact CG1-CD1 4.35Å; V386-L411 HydrophobicContact CG2-CD1 3.98Å; V386-L411 HydrophobicContact CG2-CD2 4.04Å; V405-L411 HydrophobicContact CG1-CB 3.73Å; V405-L411 HydrophobicContact CG1-CD1 4.37Å; V405-L411 HydrophobicContact CG2-CD1 4.41Å; S407-L411 PolarHBondContact O-N 3.32Å; V408-L411 WeakPolarHBondContact O-CB 3.45Å; V408-L411 PolarHBondContact O-N 3.48Å; E409-L411 VanDerWaalsContact C-N 3.31Å; E409-L411 PolarHBondContact O-N 3.41Å
412	K	95.1	Very high	95.1	Very high	135 Å²	135	68.6 Å²	68.6	59%	0.587	36%	0.357	S	S	*	.	H	α-helix	trans	-83.6	-17	-173.4	-67.7	178.2	178.9	177	0	114	V408 E409 E410 L414	V408-K412 HydrophobicContact CG1-CD 4.14Å; V408-K412 WeakPolarHBondContact O-CG 3.39Å; V408-K412 PolarHBondContact O-N 3.03Å; V408-K412 VanDerWaalsContact O-N 3.11Å; E409-K412 PolarHBondContact O-N 3.02Å; E410-K412 VanDerWaalsContact C-N 3.32Å; E410-K412 PolarHBondContact O-N 2.75Å; K412-L414 PolarHBondContact O-N 2.91Å
413	N	95.1	Very high	94.5	Very high	79 Å²	79	73 Å²	73	42%	0.422	39%	0.385	S	S	.	.			trans	-77.4	87.2	-178	-174.7	-6.3	0	0	0	113	R378 E409 E410 S415 F416	R378-N413 VanDerWaalsContact NH2-C 3.26Å; R378-N413 PolarHBondContact NH2-O 3.5Å; E409-N413 VanDerWaalsContact O-CB 3.28Å; E409-N413 WeakPolarHBondContact O-CB 3.33Å; E409-N413 PolarHBondContact O-N 2.96Å; E410-N413 PolarHBondContact O-N 3Å; N413-S415 PolarHBondContact O-N 2.94Å; N413-S415 WeakPolarHBondContact OD1-CB 3.43Å; N413-S415 PolarHBondContact OD1-N 3.44Å; N413-S415 VanDerWaalsContact OD1-N 3.17Å; N413-F416 PolarHBondContact O-N 3.01Å; N413-F416 VanDerWaalsContact O-N 3.14Å
414	L	92.4	Very high	94.1	Very high	90 Å²	90	71.3 Å²	71.3	47%	0.471	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.1	-179.1	-61	-175.7	0	0	0	114.8	E375 R378 L379 K412 F416	E375-L414 HydrophobicContact CB-CD2 4.39Å; R378-L414 HydrophobicContact CB-CD2 4.15Å; L379-L414 HydrophobicContact CD1-CD1 4.25Å; K412-L414 PolarHBondContact O-N 2.91Å; L414-F416 PolarHBondContact O-N 3.23Å
415	S	92	Very high	93.6	Very high	119 Å²	119	74.2 Å²	74.2	83%	0.832	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-21.7	174.8	-52.2	0	0	0	0	112.3	N413	N413-S415 PolarHBondContact O-N 2.94Å; N413-S415 WeakPolarHBondContact OD1-CB 3.43Å; N413-S415 PolarHBondContact OD1-N 3.44Å; N413-S415 VanDerWaalsContact OD1-N 3.17Å
416	F	91.1	Very high	92.9	Very high	80 Å²	80	75.8 Å²	75.8	35%	0.351	40%	0.401	S	S	.	.	S	Bend	trans	-94.5	127.4	174.5	-178.7	-107.1	0	0	0	111.4	R378 K403 E410 N413 L414 L418	R378-F416 PolarHBondContact NH1-O 3.39Å; K403-F416 HydrophobicContact CD-CE1 3.98Å; K403-F416 HydrophobicContact CD-CZ 3.78Å; E410-F416 HydrophobicContact CG-CD1 4.37Å; E410-F416 WeakPolarHBondContact OE1-CE1 3.33Å; N413-F416 PolarHBondContact O-N 3.01Å; N413-F416 VanDerWaalsContact O-N 3.14Å; L414-F416 PolarHBondContact O-N 3.23Å; F416-L418 HydrophobicContact CD1-CD2 3.82Å; F416-L418 HydrophobicContact CE1-CD2 3.81Å
417	S	93.6	Very high	92.3	Very high	38 Å²	38	70.2 Å²	70.2	27%	0.266	38%	0.376	S	S	.	.			trans	-81.6	124	176.8	-159.1	0	0	0	0	112	R323 K403 V419	R323-S417 PolarHBondContact NH2-OG 3.1Å; K403-S417 WeakPolarHBondContact CD-O 3.36Å; K403-S417 PolarHBondContact NZ-O 3.01Å; S417-V419 VanDerWaalsContact C-N 3.25Å; S417-V419 PolarHBondContact OG-O 3.44Å
418	L	96.1	Very high	91.6	Very high	1 Å²	1	75.3 Å²	75.3	1%	0.005	40%	0.4	C	S	.	.	S	Bend	trans	-85.7	4.5	172.6	-62.5	-179.7	0	0	0	113.3	W377 R378 K403 V405 F416	W377-L418 HydrophobicContact CH2-CD1 3.69Å; W377-L418 HydrophobicContact CZ2-CD1 3.81Å; R378-L418 HydrophobicContact CG-CD1 4.23Å; K403-L418 HydrophobicContact CB-CD2 4.36Å; K403-L418 PolarHBondContact N-O 2.91Å; V405-L418 HydrophobicContact CG2-CD1 3.49Å; V405-L418 VanDerWaalsContact CG2-CD1 3.49Å; V405-L418 HydrophobicContact CG2-CD2 3.92Å; V405-L418 HydrophobicContact CG2-CG 4.37Å; F416-L418 HydrophobicContact CD1-CD2 3.82Å; F416-L418 HydrophobicContact CE1-CD2 3.81Å
419	V	96.1	Very high	91.3	Very high	10 Å²	10	76.1 Å²	76.1	6%	0.061	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-112.8	122.9	179.3	-175.8	0	0	0	0	107.6	R317 E319 Y402 S417	R317-V419 VanDerWaalsContact NH2-CG1 3.25Å; E319-V419 HydrophobicContact CB-CG1 4.4Å; E319-V419 HydrophobicContact CB-CG2 4.01Å; E319-V419 HydrophobicContact CG-CG2 3.98Å; Y402-V419 HydrophobicContact CD1-CG2 4.21Å; Y402-V419 HydrophobicContact CE1-CG2 4.35Å; S417-V419 VanDerWaalsContact C-N 3.25Å; S417-V419 PolarHBondContact OG-O 3.44Å
420	Q	95.9	Very high	91	Very high	88 Å²	88	73.2 Å²	73.2	41%	0.411	39%	0.39	S	S	.	.			trans	-72.4	146.7	174.7	-64.5	172.9	6.2	0	0	110.1	R317 G401 K403 K422	R317-Q420 PolarHBondContact NH1-O 3.45Å; R317-Q420 PolarHBondContact NH2-O 3.41Å; G401-Q420 VanDerWaalsContact O-CB 3.25Å; G401-Q420 WeakPolarHBondContact O-CB 3.49Å; G401-Q420 VanDerWaalsContact O-CG 3.28Å; G401-Q420 WeakPolarHBondContact O-CG 3.36Å; G401-Q420 PolarHBondContact O-N 3.03Å; K403-Q420 HydrophobicContact CG-CG 4Å; Q420-K422 PolarHBondContact O-N 3.49Å
421	D	91.4	Very high	90.7	Very high	163 Å²	163	74.8 Å²	74.8	87%	0.872	40%	0.401	S	S	*	.			trans	-69.7	99.3	167.2	-166.5	5.8	0	0	0	108.4
422	K	90	Very high	90.4	Very high	72 Å²	72	79 Å²	79	31%	0.313	42%	0.423	S	S	.	.			trans	-139.5	117.1	-175.9	-178.2	172	-176.6	171.7	0	107.5	Q399 Q420 F424	Q399-K422 PolarHBondContact O-NZ 3.05Å; Q420-K422 PolarHBondContact O-N 3.49Å; K422-F424 HydrophobicContact CD-CE1 4.01Å; K422-F424 HydrophobicContact CD-CZ 3.93Å; K422-F424 HydrophobicContact CG-CE1 4.28Å; K422-F424 HydrophobicContact CG-CZ 4.15Å
423	T	85.4	Confident	90.1	Very high	101 Å²	101	75.5 Å²	75.5	62%	0.62	41%	0.413	S	S	*	.			trans	-90.7	132.1	178.1	-43.6	0	0	0	0	109.9	V425	T423-V425 HydrophobicContact CG2-CG2 4.11Å
424	F	89.3	Confident	89.8	Confident	27 Å²	27	75.3 Å²	75.3	12%	0.118	41%	0.413	C	S	.	.			trans	-102.9	98.1	170.5	-58.2	-75.1	0	0	0	107.9	L315 R317 L400 K422	L315-F424 HydrophobicContact CB-CB 4.27Å; L315-F424 HydrophobicContact CD2-CD1 3.63Å; L315-F424 HydrophobicContact CD2-CE1 3.85Å; L315-F424 HydrophobicContact CD2-CG 4Å; L315-F424 HydrophobicContact CD2-CZ 4.44Å; L315-F424 HydrophobicContact CG-CD1 4.48Å; L315-F424 HydrophobicContact CG-CG 4.39Å; R317-F424 HydrophobicContact CB-CD2 4.35Å; R317-F424 HydrophobicContact CB-CE2 3.94Å; L400-F424 HydrophobicContact CD2-CZ 4.26Å; K422-F424 HydrophobicContact CD-CE1 4.01Å; K422-F424 HydrophobicContact CD-CZ 3.93Å; K422-F424 HydrophobicContact CG-CE1 4.28Å; K422-F424 HydrophobicContact CG-CZ 4.15Å
425	V	86.2	Confident	89.6	Confident	110 Å²	110	74.2 Å²	74.2	67%	0.667	41%	0.408	S	S	*	.			trans	-78.8	133.6	-179.8	-173.2	0	0	0	0	108.7	T423	T423-V425 HydrophobicContact CG2-CG2 4.11Å
426	P	82.6	Confident	89.4	Confident	33 Å²	33	70.8 Å²	70.8	21%	0.214	38%	0.376	C	S	.	.			trans	-57.4	142.4	172.4	-22	32	0	0	0	111.3	M314 F335 L428	M314-P426 HydrophobicContact CG-CG 4.16Å; F335-P426 HydrophobicContact CB-CG 4.43Å; F335-P426 HydrophobicContact CD2-CB 3.69Å; F335-P426 HydrophobicContact CD2-CG 4.06Å; F335-P426 HydrophobicContact CE2-CB 4.12Å; F335-P426 HydrophobicContact CG-CG 4.48Å; P426-L428 HydrophobicContact CB-CD2 4.02Å; P426-L428 HydrophobicContact CB-CG 4.3Å; P426-L428 PolarHBondContact O-N 3.23Å; P426-L428 VanDerWaalsContact O-N 3.13Å
427	F	82.4	Confident	89.2	Confident	52 Å²	52	70 Å²	70	23%	0.228	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-79.3	96	171.9	-176.1	-148.7	0	0	0	108.5	H305 K310 G311	H305-F427 HydrophobicContact CB-CD1 3.99Å; H305-F427 HydrophobicContact CB-CD2 4.31Å; H305-F427 HydrophobicContact CB-CE1 3.82Å; H305-F427 HydrophobicContact CB-CE2 4.17Å; H305-F427 HydrophobicContact CB-CG 4.24Å; H305-F427 HydrophobicContact CB-CZ 3.93Å; H305-F427 AromaticContact CD2-CD2 3.71Å; H305-F427 AromaticContact CD2-CG 3.52Å; H305-F427 WeakPolarHBondContact O-CE1 3.32Å; K310-F427 VanDerWaalsContact CA-CD1 3.42Å; K310-F427 HydrophobicContact CB-CD1 3.85Å; K310-F427 HydrophobicContact CB-CE1 3.42Å; K310-F427 VanDerWaalsContact CB-CE1 3.42Å; K310-F427 HydrophobicContact CB-CZ 3.84Å; K310-F427 HydrophobicContact CD-CE1 4.38Å; K310-F427 HydrophobicContact CD-CE2 4.27Å; K310-F427 HydrophobicContact CD-CZ 3.89Å; K310-F427 HydrophobicContact CG-CD1 4.15Å; K310-F427 HydrophobicContact CG-CD2 4.38Å; K310-F427 HydrophobicContact CG-CE1 3.77Å; K310-F427 HydrophobicContact CG-CE2 4.02Å; K310-F427 HydrophobicContact CG-CG 4.44Å; K310-F427 HydrophobicContact CG-CZ 3.69Å; G311-F427 WeakPolarHBondContact CA-O 3.48Å; G311-F427 PolarHBondContact N-O 2.84Å
428	L	82.1	Confident	88.9	Confident	145 Å²	145	72.9 Å²	72.9	76%	0.759	39%	0.388	S	S	*	.			trans	-84.9	0	-177.4	-61.8	179.8	0	0	0	112.8	K310 G311 F335 P426	K310-L428 WeakPolarHBondContact CE-O 3.49Å; G311-L428 PolarHBondContact N-OXT 3.14Å; F335-L428 HydrophobicContact CD2-CD2 4.34Å; P426-L428 HydrophobicContact CB-CD2 4.02Å; P426-L428 HydrophobicContact CB-CG 4.3Å; P426-L428 PolarHBondContact O-N 3.23Å; P426-L428 VanDerWaalsContact O-N 3.13Å

Retrieved 428 of 428 residues in 252.7 ms (Link to these results)

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