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Methylmalonyl-CoA mutase, mitochondrial

Catalyzes the reversible isomerization of methylmalonyl-CoA (MMCoA) (generated from branched-chain amino acid metabolism and degradation of dietary odd chain fatty acids and cholesterol) to succinyl-CoA (3-carboxypropionyl-CoA), a key intermediate of the tricarboxylic acid cycle.

AlphaFold DB , UniProt , Accession A0A087X608, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 759 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	47.8	Very low	39.6	Very low	217 Å²	217	117 Å²	117	100%	1.069	67%	0.669	S	S	*	*				0	-6.3	0	-81.6	177.2	-177.1	0	0	115.1
2	L	38.2	Very low	39.4	Very low	145 Å²	145	111.5 Å²	111.5	76%	0.759	65%	0.649	S	S	*	*			trans	-94.6	-5.6	176.2	-92.9	125	0	0	0	115.7
3	S	40.9	Very low	39.1	Very low	100 Å²	100	107.2 Å²	107.2	70%	0.699	63%	0.634	S	S	*	*	S	Bend	trans	-93.2	-25.9	179.1	53.7	0	0	0	0	114.1
4	A	37.5	Very low	38.6	Very low	70 Å²	70	114.9 Å²	114.9	58%	0.579	65%	0.647	S	S	*	*	H	α-helix	trans	-77.9	-33.9	-179.5	0	0	0	0	0	113.1	A7 C8	A4-A7 PolarHBondContact O-N 3.19Å; A4-C8 PolarHBondContact O-N 2.8Å
5	Q	39	Very low	38.2	Very low	152 Å²	152	121.1 Å²	121.1	71%	0.71	66%	0.656	S	S	*	*	H	α-helix	trans	-71.3	-29.1	176.9	-80.8	179	-28.7	0	0	113.1	A9	Q5-A9 PolarHBondContact O-N 3.06Å
6	R	40.9	Very low	37.9	Very low	203 Å²	203	121.4 Å²	121.4	77%	0.766	66%	0.656	S	S	*	*	H	α-helix	trans	-73.4	-31.1	174.8	-77	-175.4	171.9	-169.6	-1.8	112.9	A10	R6-A10 WeakPolarHBondContact O-CB 3.31Å; R6-A10 PolarHBondContact O-N 3.15Å; R6-A10 VanDerWaalsContact O-N 3.14Å
7	A	39	Very low	37.4	Very low	57 Å²	57	117.6 Å²	117.6	47%	0.471	65%	0.645	S	S	.	*	H	α-helix	trans	-72.7	-37.9	177.3	0	0	0	0	0	112.6	A4 A10 L11	A4-A7 PolarHBondContact O-N 3.19Å; A7-A10 PolarHBondContact O-N 2.78Å; A7-L11 PolarHBondContact O-N 2.95Å
8	C	38.7	Very low	36.9	Very low	99 Å²	99	113.8 Å²	113.8	67%	0.669	64%	0.638	S	S	*	*	H	α-helix	trans	-67.8	-37.8	173.6	-99.3	0	0	0	0	112.7	A4 A12	A4-C8 PolarHBondContact O-N 2.8Å; C8-A12 PolarHBondContact O-N 3.01Å; C8-A12 VanDerWaalsContact O-N 3.13Å
9	A	39.7	Very low	36.5	Very low	62 Å²	62	111.3 Å²	111.3	51%	0.512	63%	0.633	S	S	.	*	H	α-helix	trans	-67.3	-36.5	176.3	0	0	0	0	0	112.6	Q5 A13	Q5-A9 PolarHBondContact O-N 3.06Å; A9-A13 VanDerWaalsContact O-CB 3.31Å; A9-A13 WeakPolarHBondContact O-CB 3.48Å; A9-A13 PolarHBondContact O-N 2.77Å
10	A	36.8	Very low	36.1	Very low	58 Å²	58	110.4 Å²	110.4	48%	0.479	63%	0.633	S	S	.	*	H	α-helix	trans	-72.2	-31.9	178	0	0	0	0	0	113.5	R6 A7 R14	R6-A10 WeakPolarHBondContact O-CB 3.31Å; R6-A10 PolarHBondContact O-N 3.15Å; R6-A10 VanDerWaalsContact O-N 3.14Å; A7-A10 PolarHBondContact O-N 2.78Å; A10-R14 PolarHBondContact O-N 3.21Å; A10-R14 VanDerWaalsContact O-N 3.16Å
11	L	37.1	Very low	35.7	Very low	124 Å²	124	110.4 Å²	110.4	65%	0.649	64%	0.635	S	S	*	*	H	α-helix	trans	-74.6	-36.2	174	-113.9	98.9	0	0	0	112.5	A7 R15	A7-L11 PolarHBondContact O-N 2.95Å; L11-R15 PolarHBondContact O-N 3.03Å; L11-R15 VanDerWaalsContact O-N 3.16Å
12	A	37.3	Very low	34.8	Very low	51 Å²	51	104.7 Å²	104.7	42%	0.421	62%	0.616	S	S	.	*	H	α-helix	trans	-68.2	-41	174.3	0	0	0	0	0	111.7	C8 R14 R15 L16	C8-A12 PolarHBondContact O-N 3.01Å; C8-A12 VanDerWaalsContact O-N 3.13Å; A12-R14 PolarHBondContact O-N 3.17Å; A12-R15 PolarHBondContact O-N 3.11Å; A12-L16 WeakPolarHBondContact O-CB 3.49Å; A12-L16 PolarHBondContact O-N 2.7Å
13	A	35.6	Very low	34.3	Very low	56 Å²	56	101.6 Å²	101.6	46%	0.463	61%	0.607	S	S	.	*	H	α-helix	trans	-66.5	-33.9	176.2	0	0	0	0	0	113	A9 A17	A9-A13 VanDerWaalsContact O-CB 3.31Å; A9-A13 WeakPolarHBondContact O-CB 3.48Å; A9-A13 PolarHBondContact O-N 2.77Å; A13-A17 WeakPolarHBondContact O-CB 3.23Å; A13-A17 PolarHBondContact O-N 3.36Å
14	R	32.3	Very low	33.6	Very low	214 Å²	214	100.9 Å²	100.9	81%	0.808	61%	0.607	S	S	*	*	H	α-helix	trans	-74.4	-30.2	174.4	-88.6	-177.2	172.1	-175.8	-2.2	113.8	A10 A12 G18	A10-R14 PolarHBondContact O-N 3.21Å; A10-R14 VanDerWaalsContact O-N 3.16Å; A12-R14 PolarHBondContact O-N 3.17Å; R14-G18 PolarHBondContact O-N 2.97Å; R14-G18 VanDerWaalsContact O-N 3.09Å
15	R	33.1	Very low	33	Very low	208 Å²	208	106.2 Å²	106.2	79%	0.785	62%	0.62	S	S	*	*	H	α-helix	trans	-74.1	-31.7	171.1	-83.4	-173.6	173.4	-164.5	-1.6	112.7	L11 A12 A19	L11-R15 PolarHBondContact O-N 3.03Å; L11-R15 VanDerWaalsContact O-N 3.16Å; A12-R15 PolarHBondContact O-N 3.11Å; R15-A19 WeakPolarHBondContact O-CB 3.44Å; R15-A19 PolarHBondContact O-N 2.68Å
16	L	32.3	Very low	32.4	Very low	126 Å²	126	102.5 Å²	102.5	66%	0.66	62%	0.615	S	S	*	*	H	α-helix	trans	-77	-37.6	174.1	-78.2	157.9	0	0	0	112.6	A12 A19 C20	A12-L16 WeakPolarHBondContact O-CB 3.49Å; A12-L16 PolarHBondContact O-N 2.7Å; L16-A19 PolarHBondContact O-N 3.28Å; L16-C20 WeakPolarHBondContact O-CB 3.07Å; L16-C20 PolarHBondContact O-N 3.47Å; L16-C20 VanDerWaalsContact O-N 3.12Å
17	A	30	Very low	31.8	Very low	57 Å²	57	101.1 Å²	101.1	47%	0.471	62%	0.617	S	S	.	*	H	α-helix	trans	-73.5	-29.1	176.2	0	0	0	0	0	113.3	A13 V21	A13-A17 WeakPolarHBondContact O-CB 3.23Å; A13-A17 PolarHBondContact O-N 3.36Å; A17-V21 WeakPolarHBondContact O-CG2 2.76Å
18	G	27.7	Very low	31.2	Very low	50 Å²	50	109.9 Å²	109.9	52%	0.515	64%	0.638	S	S	.	*	H	α-helix	trans	-75.2	-22.7	172.4	0	0	0	0	0	114.2	R14	R14-G18 PolarHBondContact O-N 2.97Å; R14-G18 VanDerWaalsContact O-N 3.09Å
19	A	29.2	Very low	30.7	Very low	65 Å²	65	111.3 Å²	111.3	54%	0.537	64%	0.638	S	S	.	*	H	α-helix	trans	-92.1	-16.1	176.3	0	0	0	0	0	113.6	R15 L16	R15-A19 WeakPolarHBondContact O-CB 3.44Å; R15-A19 PolarHBondContact O-N 2.68Å; L16-A19 PolarHBondContact O-N 3.28Å
20	C	29.2	Very low	30.2	Very low	94 Å²	94	115.7 Å²	115.7	64%	0.635	65%	0.648	S	S	*	*	S	Bend	trans	-94.9	-6.6	177.2	-110.5	0	0	0	0	114.6	L16	L16-C20 WeakPolarHBondContact O-CB 3.07Å; L16-C20 PolarHBondContact O-N 3.47Å; L16-C20 VanDerWaalsContact O-N 3.12Å
21	V	28	Very low	30.1	Very low	111 Å²	111	117 Å²	117	67%	0.673	65%	0.646	S	S	*	*	S	Bend	trans	-114.7	-5.2	-177.7	-174.8	0	0	0	0	112.8	A17	A17-V21 WeakPolarHBondContact O-CG2 2.76Å
22	S	27.7	Very low	29.9	Very low	97 Å²	97	116 Å²	116	68%	0.678	64%	0.638	S	S	*	*	S	Bend	trans	-102.8	4.5	170.9	88.7	0	0	0	0	114.8
23	S	28.9	Very low	30	Very low	80 Å²	80	114.8 Å²	114.8	56%	0.559	63%	0.625	S	S	*	*	S	Bend	trans	-109.8	-5.2	173.9	59	0	0	0	0	113.7
24	A	26.4	Very low	30.2	Very low	85 Å²	85	114.7 Å²	114.7	70%	0.702	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	0.1	175.8	0	0	0	0	0	113.9
25	Q	25.3	Very low	30.6	Very low	182 Å²	182	106.6 Å²	106.6	85%	0.85	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.7	25.8	169.4	-86.9	-176	-21.4	0	0	111.9	H27	Q25-H27 PolarHBondContact O-N 2.87Å
26	A	26.5	Very low	30.7	Very low	74 Å²	74	101 Å²	101	61%	0.612	59%	0.588	S	S	*	*	S	Bend	trans	-63.3	118.1	154.7	0	0	0	0	0	106.1	R28	A26-R28 PolarHBondContact O-N 2.71Å
27	H	27.7	Very low	31.2	Very low	173 Å²	173	96.8 Å²	96.8	80%	0.801	57%	0.568	S	S	*	*			trans	-31.6	104.7	175.2	-82.5	-63.3	0	0	0	110.7	Q25 L29	Q25-H27 PolarHBondContact O-N 2.87Å; H27-L29 PolarHBondContact O-N 3.27Å
28	R	27	Very low	31.7	Very low	242 Å²	242	102.8 Å²	102.8	91%	0.913	59%	0.587	S	S	*	*			trans	-65.5	80.4	150.8	-79.8	-173	-171.6	-163.6	2	104.6	A26 Q30	A26-R28 PolarHBondContact O-N 2.71Å; R28-Q30 PolarHBondContact O-N 3.09Å
29	L	27.4	Very low	32.8	Very low	129 Å²	129	105.6 Å²	105.6	68%	0.675	59%	0.59	S	S	*	*			trans	-56.7	101.9	148.9	-84.6	144.1	0	0	0	103.5	H27 I31	H27-L29 PolarHBondContact O-N 3.27Å; L29-I31 HydrophobicContact CB-CD1 4.15Å; L29-I31 HydrophobicContact CB-CG1 3.5Å; L29-I31 PolarHBondContact O-N 3.27Å
30	Q	29.2	Very low	34.3	Very low	154 Å²	154	110 Å²	110	72%	0.72	60%	0.6	S	S	*	*			trans	-59.9	87.1	151.6	-82	178.6	-48	0	0	104.4	R28 H32	R28-Q30 PolarHBondContact O-N 3.09Å; Q30-H32 PolarHBondContact O-CD2 2.82Å; Q30-H32 PolarHBondContact O-N 2.88Å
31	I	34.8	Very low	36.5	Very low	85 Å²	85	107.3 Å²	107.3	44%	0.436	58%	0.58	S	S	.	*			trans	-75.4	87.1	175.8	-62.5	-177.8	0	0	0	104.6	L29 T33 R473	L29-I31 HydrophobicContact CB-CD1 4.15Å; L29-I31 HydrophobicContact CB-CG1 3.5Å; L29-I31 PolarHBondContact O-N 3.27Å; I31-T33 PolarHBondContact O-N 3.42Å; I31-R473 VanDerWaalsContact CG2-CZ 3.49Å
32	H	33	Very low	39.3	Very low	104 Å²	104	109.3 Å²	109.3	48%	0.481	58%	0.58	S	S	.	*			trans	-65.8	127.5	176.4	-70.4	-77.7	0	0	0	109.1	Q30 S34	Q30-H32 PolarHBondContact O-CD2 2.82Å; Q30-H32 PolarHBondContact O-N 2.88Å; H32-S34 WeakPolarHBondContact CB-O 3.38Å; H32-S34 PolarHBondContact O-N 2.94Å
33	T	39.3	Very low	42.4	Very low	25 Å²	25	106.1 Å²	106.1	15%	0.153	56%	0.555	C	S	.	*	S	Bend	trans	-70.7	-14.5	170.6	39.4	0	0	0	0	113.1	I31 R473 E476 R480	I31-T33 PolarHBondContact O-N 3.42Å; T33-R473 HydrophobicContact CG2-CB 4.48Å; T33-R473 HydrophobicContact CG2-CG 4.17Å; T33-E476 HydrophobicContact CG2-CB 4.45Å; T33-E476 HydrophobicContact CG2-CG 4.34Å; T33-E476 WeakPolarHBondContact CG2-OE1 3.27Å; T33-E476 WeakPolarHBondContact CG2-OE2 3.37Å; T33-E476 PolarHBondContact OG1-OE1 2.81Å; T33-R480 PolarHBondContact OG1-NH2 3.16Å
34	S	39.8	Very low	45.5	Very low	53 Å²	53	105.2 Å²	105.2	37%	0.371	54%	0.544	S	S	.	.	S	Bend	trans	-114.6	126.4	166.6	52.9	0	0	0	0	108.8	H32 S36	H32-S34 WeakPolarHBondContact CB-O 3.38Å; H32-S34 PolarHBondContact O-N 2.94Å; S34-S36 PolarHBondContact O-N 3.32Å
35	V	39.2	Very low	48.7	Very low	45 Å²	45	105.3 Å²	105.3	27%	0.273	54%	0.544	S	S	.	.			trans	-59.4	116.4	159	-179.5	0	0	0	0	105.1	C37 T447 F451	V35-C37 PolarHBondContact O-N 3.35Å; V35-T447 HydrophobicContact CG2-CG2 4.29Å; V35-F451 HydrophobicContact CG2-CE2 4.43Å; V35-F451 HydrophobicContact CG2-CZ 4.28Å
36	S	35.8	Very low	52.1	Low	91 Å²	91	104 Å²	104	64%	0.636	54%	0.538	S	S	*	.			trans	-70.3	75.5	170.1	66.9	0	0	0	0	107.9	S34 Q38	S34-S36 PolarHBondContact O-N 3.32Å; S36-Q38 PolarHBondContact O-N 3.49Å
37	C	42.8	Very low	55.5	Low	36 Å²	36	103.4 Å²	103.4	24%	0.243	52%	0.52	C	S	.	.			trans	-74.7	81.1	165.3	-87.8	0	0	0	0	106.9	V35 D39	V35-C37 PolarHBondContact O-N 3.35Å; C37-D39 PolarHBondContact O-N 2.7Å; C37-D39 PolarHBondContact SG-OD2 3.01Å
38	Q	40.8	Very low	58.7	Low	183 Å²	183	96.1 Å²	96.1	86%	0.855	49%	0.49	S	S	*	.			trans	-70.3	37.1	151.1	-69.9	-171.8	-23.6	0	0	110.1	S36 E40	S36-Q38 PolarHBondContact O-N 3.49Å; Q38-E40 PolarHBondContact O-N 3Å
39	D	51.6	Low	62	Low	110 Å²	110	86.7 Å²	86.7	59%	0.588	47%	0.468	S	S	*	.			trans	-71	115.6	168.8	-69.8	-36	0	0	0	105.7	C37 V41	C37-D39 PolarHBondContact O-N 2.7Å; C37-D39 PolarHBondContact SG-OD2 3.01Å; D39-V41 WeakPolarHBondContact O-CG2 3.4Å; D39-V41 PolarHBondContact O-N 2.66Å
40	E	59.9	Low	65.3	Low	158 Å²	158	85.6 Å²	85.6	74%	0.738	46%	0.463	S	S	*	.			trans	-60.2	99.7	-178.6	-160.7	-177.3	-141.6	0	0	108.8	Q38 K42	Q38-E40 PolarHBondContact O-N 3Å; E40-K42 PolarHBondContact O-N 3.01Å; E40-K42 VanDerWaalsContact O-N 3.07Å
41	V	75.1	Confident	68.5	Low	37 Å²	37	78.4 Å²	78.4	22%	0.224	43%	0.43	C	S	.	.			trans	-76	101.3	-177.1	-179.9	0	0	0	0	109.1	D39 L43 I64 N72 K74	D39-V41 WeakPolarHBondContact O-CG2 3.4Å; D39-V41 PolarHBondContact O-N 2.66Å; V41-L43 PolarHBondContact O-N 3.26Å; V41-I64 HydrophobicContact CB-CD1 4.29Å; V41-I64 HydrophobicContact CG1-CD1 4.4Å; V41-N72 HydrophobicContact CG2-CB 3.66Å; V41-K74 HydrophobicContact CG1-CD 3.57Å; V41-K74 HydrophobicContact CG1-CG 3.34Å
42	K	86.8	Confident	71.5	Confident	153 Å²	153	79.9 Å²	79.9	67%	0.665	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-76.4	122.3	180	-65.7	-176.6	-177.3	178.2	0	111.1	E40	E40-K42 PolarHBondContact O-N 3.01Å; E40-K42 VanDerWaalsContact O-N 3.07Å
43	L	92.8	Very high	74.5	Confident	29 Å²	29	83.5 Å²	83.5	15%	0.152	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-83	150.4	171.1	-58.9	174.2	0	0	0	109.9	V41 A45 W47 A48 P60 E61 I64 K74 P75	V41-L43 PolarHBondContact O-N 3.26Å; L43-A45 PolarHBondContact O-N 3.09Å; L43-W47 HydrophobicContact CD1-CZ3 4.16Å; L43-A48 HydrophobicContact CB-CB 4.36Å; L43-P60 HydrophobicContact CD1-CB 4.13Å; L43-E61 HydrophobicContact CD1-CB 4.47Å; L43-E61 HydrophobicContact CD1-CG 3.81Å; L43-I64 HydrophobicContact CD2-CD1 4.36Å; L43-I64 HydrophobicContact CD2-CG1 4.28Å; L43-K74 HydrophobicContact CD2-CB 4.29Å; L43-K74 HydrophobicContact CD2-CD 3.99Å; L43-K74 HydrophobicContact CD2-CG 4Å; L43-P75 HydrophobicContact CD2-CG 4.22Å
44	N	94.5	Very high	77.3	Confident	62 Å²	62	90 Å²	90	33%	0.332	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-60	124.3	173	176.2	-74.2	0	0	0	109.5	E46 W47 A48 T78	N44-E46 VanDerWaalsContact C-N 3.34Å; N44-E46 PolarHBondContact O-N 2.7Å; N44-E46 WeakPolarHBondContact OD1-CB 3.22Å; N44-E46 PolarHBondContact OD1-N 3.47Å; N44-E46 VanDerWaalsContact OD1-N 3.12Å; N44-W47 HydrophobicContact CB-CB 4.15Å; N44-W47 PolarHBondContact O-N 2.98Å; N44-W47 PolarHBondContact OD1-N 3.45Å; N44-A48 WeakPolarHBondContact O-CB 3.37Å; N44-A48 PolarHBondContact O-N 3.14Å; N44-T78 HydrophobicContact CB-CG2 4.29Å
45	A	94.4	Very high	80	Confident	86 Å²	86	90 Å²	90	71%	0.711	47%	0.472	S	S	*	.	H	α-helix	trans	-62.8	-37.9	-170.5	0	0	0	0	0	113.3	L43 G49	L43-A45 PolarHBondContact O-N 3.09Å; A45-G49 PolarHBondContact O-N 2.99Å
46	E	95.9	Very high	82.7	Confident	154 Å²	154	97.5 Å²	97.5	72%	0.72	50%	0.5	S	S	*	.	H	α-helix	trans	-66.2	-50.2	177.2	-175.6	-177.6	174.1	0	0	110.7	N44 A48 G49 L50	N44-E46 VanDerWaalsContact C-N 3.34Å; N44-E46 PolarHBondContact O-N 2.7Å; N44-E46 WeakPolarHBondContact OD1-CB 3.22Å; N44-E46 PolarHBondContact OD1-N 3.47Å; N44-E46 VanDerWaalsContact OD1-N 3.12Å; E46-A48 VanDerWaalsContact C-N 3.34Å; E46-A48 PolarHBondContact O-N 2.86Å; E46-G49 PolarHBondContact O-N 3.34Å; E46-L50 PolarHBondContact O-N 3.16Å; E46-L50 VanDerWaalsContact O-N 3.11Å
47	W	97	Very high	85.4	Confident	62 Å²	62	95.4 Å²	95.4	24%	0.235	49%	0.493	C	S	.	.	H	α-helix	trans	-60.4	-43.2	176.7	178.3	83.9	0	0	0	112	L43 N44 G49 L50 A51 P60 L63 P75 V76	L43-W47 HydrophobicContact CD1-CZ3 4.16Å; N44-W47 HydrophobicContact CB-CB 4.15Å; N44-W47 PolarHBondContact O-N 2.98Å; N44-W47 PolarHBondContact OD1-N 3.45Å; W47-G49 VanDerWaalsContact C-N 3.29Å; W47-G49 PolarHBondContact O-N 2.97Å; W47-L50 WeakPolarHBondContact O-CB 3.43Å; W47-L50 PolarHBondContact O-N 2.98Å; W47-L50 VanDerWaalsContact O-N 3.15Å; W47-A51 HydrophobicContact CD2-CB 4.43Å; W47-A51 HydrophobicContact CE3-CB 4.39Å; W47-A51 HydrophobicContact CH2-CB 3.92Å; W47-A51 HydrophobicContact CZ2-CB 3.98Å; W47-A51 HydrophobicContact CZ3-CB 4.14Å; W47-A51 WeakPolarHBondContact O-CB 3.42Å; W47-A51 PolarHBondContact O-N 3.42Å; W47-P60 HydrophobicContact CZ3-CB 4.1Å; W47-L63 HydrophobicContact CH2-CD1 4.15Å; W47-P75 HydrophobicContact CH2-CB 3.72Å; W47-P75 HydrophobicContact CH2-CG 3.21Å; W47-P75 HydrophobicContact CZ2-CB 4.07Å; W47-P75 HydrophobicContact CZ2-CG 4Å; W47-P75 HydrophobicContact CZ3-CG 3.64Å; W47-V76 HydrophobicContact CD2-CB 4.14Å; W47-V76 HydrophobicContact CD2-CG2 4.14Å; W47-V76 VanDerWaalsContact CE2-CG2 3.45Å; W47-V76 HydrophobicContact CG-CB 4.35Å; W47-V76 HydrophobicContact CG-CG1 4.48Å; W47-V76 HydrophobicContact CG-CG2 4.42Å; W47-V76 HydrophobicContact CZ2-CB 4.4Å; W47-V76 HydrophobicContact CZ2-CG2 3.76Å; W47-V76 VanDerWaalsContact NE1-CG2 3.3Å
48	A	95.3	Very high	87.8	Confident	21 Å²	21	100.6 Å²	100.6	17%	0.174	51%	0.512	C	S	.	.	H	α-helix	trans	-61.6	-38.2	177.9	0	0	0	0	0	111.6	L43 N44 E46 A51 K52 P60	L43-A48 HydrophobicContact CB-CB 4.36Å; N44-A48 WeakPolarHBondContact O-CB 3.37Å; N44-A48 PolarHBondContact O-N 3.14Å; E46-A48 VanDerWaalsContact C-N 3.34Å; E46-A48 PolarHBondContact O-N 2.86Å; A48-A51 PolarHBondContact O-N 3.3Å; A48-K52 VanDerWaalsContact O-CB 3.26Å; A48-K52 WeakPolarHBondContact O-CB 3.26Å; A48-K52 PolarHBondContact O-N 3.36Å; A48-P60 HydrophobicContact CB-CG 4.39Å; A48-P60 WeakPolarHBondContact O-CG 3.39Å
49	G	96.3	Very high	90.3	Very high	44 Å²	44	95.1 Å²	95.1	45%	0.454	49%	0.488	S	S	.	.	H	α-helix	trans	-60.5	-44.8	172.6	0	0	0	0	0	112.8	A45 E46 W47 K53	A45-G49 PolarHBondContact O-N 2.99Å; E46-G49 PolarHBondContact O-N 3.34Å; W47-G49 VanDerWaalsContact C-N 3.29Å; W47-G49 PolarHBondContact O-N 2.97Å; G49-K53 PolarHBondContact O-N 3.27Å; G49-K53 VanDerWaalsContact O-N 3.14Å
50	L	97.2	Very high	92.3	Very high	106 Å²	106	90.2 Å²	90.2	56%	0.555	46%	0.462	S	S	*	.	H	α-helix	trans	-64.6	-47.5	175.8	-67.5	173.7	0	0	0	112	E46 W47 K52 K53 Q54	E46-L50 PolarHBondContact O-N 3.16Å; E46-L50 VanDerWaalsContact O-N 3.11Å; W47-L50 WeakPolarHBondContact O-CB 3.43Å; W47-L50 PolarHBondContact O-N 2.98Å; W47-L50 VanDerWaalsContact O-N 3.15Å; L50-K52 PolarHBondContact O-N 3.36Å; L50-K53 WeakPolarHBondContact O-CB 3.37Å; L50-K53 PolarHBondContact O-N 3.38Å; L50-Q54 PolarHBondContact O-N 3.47Å
51	A	96.5	Very high	93.8	Very high	3 Å²	3	87.1 Å²	87.1	3%	0.025	45%	0.448	C	S	.	.	H	α-helix	trans	-60.9	-44.7	178.7	0	0	0	0	0	111.2	W47 A48 K53 Q54 L55 P60	W47-A51 HydrophobicContact CD2-CB 4.43Å; W47-A51 HydrophobicContact CE3-CB 4.39Å; W47-A51 HydrophobicContact CH2-CB 3.92Å; W47-A51 HydrophobicContact CZ2-CB 3.98Å; W47-A51 HydrophobicContact CZ3-CB 4.14Å; W47-A51 WeakPolarHBondContact O-CB 3.42Å; W47-A51 PolarHBondContact O-N 3.42Å; A48-A51 PolarHBondContact O-N 3.3Å; A51-K53 VanDerWaalsContact C-N 3.3Å; A51-K53 PolarHBondContact O-N 2.72Å; A51-Q54 PolarHBondContact O-N 3.37Å; A51-L55 WeakPolarHBondContact O-CB 3.21Å; A51-L55 VanDerWaalsContact O-CG 3.22Å; A51-L55 WeakPolarHBondContact O-CG 3.46Å; A51-L55 PolarHBondContact O-N 3.22Å; A51-P60 HydrophobicContact CB-CB 4.04Å; A51-P60 HydrophobicContact CB-CG 4Å
52	K	96.8	Very high	94.7	Very high	115 Å²	115	90.6 Å²	90.6	50%	0.5	47%	0.465	S	S	.	.	H	α-helix	trans	-60.6	-40.4	177	-172.7	171.5	-174.2	173.2	0	111.9	A48 L50 K56 G57 P60	A48-K52 VanDerWaalsContact O-CB 3.26Å; A48-K52 WeakPolarHBondContact O-CB 3.26Å; A48-K52 PolarHBondContact O-N 3.36Å; L50-K52 PolarHBondContact O-N 3.36Å; K52-K56 PolarHBondContact O-N 3.05Å; K52-G57 PolarHBondContact O-N 2.94Å; K52-P60 HydrophobicContact CB-CG 3.9Å
53	K	96.9	Very high	95.1	Very high	180 Å²	180	87.3 Å²	87.3	78%	0.783	45%	0.454	S	S	*	.	H	α-helix	trans	-63.7	-46.7	174.4	-174.5	179.4	179	-179.2	0	111.3	G49 L50 A51 L55 K56	G49-K53 PolarHBondContact O-N 3.27Å; G49-K53 VanDerWaalsContact O-N 3.14Å; L50-K53 WeakPolarHBondContact O-CB 3.37Å; L50-K53 PolarHBondContact O-N 3.38Å; A51-K53 VanDerWaalsContact C-N 3.3Å; A51-K53 PolarHBondContact O-N 2.72Å; K53-L55 PolarHBondContact O-N 2.86Å; K53-K56 PolarHBondContact O-N 3.31Å
54	Q	97.3	Very high	95.3	Very high	161 Å²	161	86.7 Å²	86.7	75%	0.752	45%	0.451	S	S	*	.	H	α-helix	trans	-62.7	-41.2	178.5	-174.4	-179.3	9.5	0	0	112.2	L50 A51 K56	L50-Q54 PolarHBondContact O-N 3.47Å; A51-Q54 PolarHBondContact O-N 3.37Å; Q54-K56 PolarHBondContact O-N 3.26Å
55	L	96.4	Very high	95.3	Very high	55 Å²	55	89.2 Å²	89.2	29%	0.288	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	9.8	179.6	-60.8	173.5	0	0	0	113.7	A51 K53 G57 K58 L63	A51-L55 WeakPolarHBondContact O-CB 3.21Å; A51-L55 VanDerWaalsContact O-CG 3.22Å; A51-L55 WeakPolarHBondContact O-CG 3.46Å; A51-L55 PolarHBondContact O-N 3.22Å; K53-L55 PolarHBondContact O-N 2.86Å; L55-G57 VanDerWaalsContact C-N 3.29Å; L55-G57 PolarHBondContact O-N 3Å; L55-K58 HydrophobicContact CB-CB 3.97Å; L55-K58 WeakPolarHBondContact O-CG 3.47Å; L55-K58 PolarHBondContact O-N 3.31Å; L55-L63 HydrophobicContact CD1-CD1 3.95Å; L55-L63 HydrophobicContact CD1-CG 4.31Å
56	K	96.2	Very high	95.3	Very high	202 Å²	202	92.8 Å²	92.8	88%	0.878	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	41.9	178.7	-56.3	179.5	179.9	178.6	0	113.1	K52 K53 Q54	K52-K56 PolarHBondContact O-N 3.05Å; K53-K56 PolarHBondContact O-N 3.31Å; Q54-K56 PolarHBondContact O-N 3.26Å
57	G	92.3	Very high	95.3	Very high	47 Å²	47	85.9 Å²	85.9	49%	0.485	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.4	-6.9	173.9	0	0	0	0	0	116	K52 L55	K52-G57 PolarHBondContact O-N 2.94Å; L55-G57 VanDerWaalsContact C-N 3.29Å; L55-G57 PolarHBondContact O-N 3Å
58	K	93.6	Very high	95.1	Very high	145 Å²	145	86 Å²	86	63%	0.63	43%	0.428	S	S	*	.			trans	-62.4	153.4	172.6	-62.1	-178.9	174.2	-171.6	0	111.5	L55 P60	L55-K58 HydrophobicContact CB-CB 3.97Å; L55-K58 WeakPolarHBondContact O-CG 3.47Å; L55-K58 PolarHBondContact O-N 3.31Å; K58-P60 WeakPolarHBondContact O-CD 3.4Å
59	N	93.6	Very high	95	Very high	68 Å²	68	86.3 Å²	86.3	36%	0.364	43%	0.426	S	S	.	.			trans	-73.4	121	-177.9	-171.1	0.5	0	0	0	110.4	E61 D62	N59-E61 PolarHBondContact ND2-OE2 3.14Å; N59-E61 PolarHBondContact O-N 3.48Å; N59-E61 PolarHBondContact OD1-N 3.38Å; N59-E61 VanDerWaalsContact OD1-N 3.15Å; N59-D62 VanDerWaalsContact O-CB 3.31Å; N59-D62 WeakPolarHBondContact O-CB 3.22Å; N59-D62 PolarHBondContact O-N 2.76Å; N59-D62 VanDerWaalsContact O-N 3.08Å
60	P	93.1	Very high	94.8	Very high	7 Å²	7	85.4 Å²	85.4	5%	0.045	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-59.8	-22.2	174.7	-24.7	35.6	0	0	0	114.4	L43 W47 A48 A51 K52 K58 D62 L63	L43-P60 HydrophobicContact CD1-CB 4.13Å; W47-P60 HydrophobicContact CZ3-CB 4.1Å; A48-P60 HydrophobicContact CB-CG 4.39Å; A48-P60 WeakPolarHBondContact O-CG 3.39Å; A51-P60 HydrophobicContact CB-CB 4.04Å; A51-P60 HydrophobicContact CB-CG 4Å; K52-P60 HydrophobicContact CB-CG 3.9Å; K58-P60 WeakPolarHBondContact O-CD 3.4Å; P60-D62 PolarHBondContact O-N 3.05Å; P60-L63 VanDerWaalsContact O-CB 3.32Å; P60-L63 WeakPolarHBondContact O-CB 3.48Å; P60-L63 PolarHBondContact O-N 2.91Å; P60-L63 VanDerWaalsContact O-N 3.11Å
61	E	92.9	Very high	94.6	Very high	93 Å²	93	81 Å²	81	44%	0.435	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-66.1	-20.4	175.2	-63.3	173.7	164.4	0	0	113	L43 N59 L63 I64	L43-E61 HydrophobicContact CD1-CB 4.47Å; L43-E61 HydrophobicContact CD1-CG 3.81Å; N59-E61 PolarHBondContact ND2-OE2 3.14Å; N59-E61 PolarHBondContact O-N 3.48Å; N59-E61 PolarHBondContact OD1-N 3.38Å; N59-E61 VanDerWaalsContact OD1-N 3.15Å; E61-L63 PolarHBondContact O-N 2.88Å; E61-I64 HydrophobicContact CB-CD1 4.15Å; E61-I64 HydrophobicContact CG-CD1 4.43Å; E61-I64 WeakPolarHBondContact O-CB 3.4Å; E61-I64 WeakPolarHBondContact O-CG1 3.17Å; E61-I64 PolarHBondContact O-N 3.18Å; E61-I64 VanDerWaalsContact O-N 3.1Å
62	D	93.1	Very high	94.5	Very high	110 Å²	110	82.8 Å²	82.8	59%	0.588	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-66	-18.6	173.7	-59.6	-22.7	0	0	0	111.6	N59 P60 I64	N59-D62 VanDerWaalsContact O-CB 3.31Å; N59-D62 WeakPolarHBondContact O-CB 3.22Å; N59-D62 PolarHBondContact O-N 2.76Å; N59-D62 VanDerWaalsContact O-N 3.08Å; P60-D62 PolarHBondContact O-N 3.05Å; D62-I64 VanDerWaalsContact C-N 3.33Å
63	L	95.3	Very high	94.5	Very high	83 Å²	83	77.9 Å²	77.9	44%	0.435	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-84.5	-5.3	176.2	-56.8	-179.9	0	0	0	113.4	W47 L55 P60 E61 W65 P75	W47-L63 HydrophobicContact CH2-CD1 4.15Å; L55-L63 HydrophobicContact CD1-CD1 3.95Å; L55-L63 HydrophobicContact CD1-CG 4.31Å; P60-L63 VanDerWaalsContact O-CB 3.32Å; P60-L63 WeakPolarHBondContact O-CB 3.48Å; P60-L63 PolarHBondContact O-N 2.91Å; P60-L63 VanDerWaalsContact O-N 3.11Å; E61-L63 PolarHBondContact O-N 2.88Å; L63-W65 PolarHBondContact O-N 3.4Å; L63-P75 HydrophobicContact CB-CB 4.08Å; L63-P75 HydrophobicContact CB-CG 4.12Å
64	I	95.9	Very high	94.4	Very high	17 Å²	17	70.3 Å²	70.3	9%	0.087	35%	0.349	C	S	.	.			trans	-65.8	122.1	174.9	-65.4	170.3	0	0	0	108.1	V41 L43 E61 D62 R66 N72	V41-I64 HydrophobicContact CB-CD1 4.29Å; V41-I64 HydrophobicContact CG1-CD1 4.4Å; L43-I64 HydrophobicContact CD2-CD1 4.36Å; L43-I64 HydrophobicContact CD2-CG1 4.28Å; E61-I64 HydrophobicContact CB-CD1 4.15Å; E61-I64 HydrophobicContact CG-CD1 4.43Å; E61-I64 WeakPolarHBondContact O-CB 3.4Å; E61-I64 WeakPolarHBondContact O-CG1 3.17Å; E61-I64 PolarHBondContact O-N 3.18Å; E61-I64 VanDerWaalsContact O-N 3.1Å; D62-I64 VanDerWaalsContact C-N 3.33Å; I64-R66 PolarHBondContact O-N 2.94Å; I64-N72 HydrophobicContact CG2-CB 3.87Å
65	W	95.9	Very high	94.4	Very high	114 Å²	114	65 Å²	65	43%	0.432	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	107.5	176.7	178.7	22.5	0	0	0	109.5	L63 T67 I73 N320	L63-W65 PolarHBondContact O-N 3.4Å; W65-T67 HydrophobicContact CD2-CG2 3.92Å; W65-T67 HydrophobicContact CE3-CG2 4.31Å; W65-T67 HydrophobicContact CG-CG2 4.27Å; W65-T67 HydrophobicContact CZ2-CG2 4.24Å; W65-T67 PolarHBondContact O-N 3.35Å; W65-I73 HydrophobicContact CB-CB 4.3Å; W65-I73 HydrophobicContact CE3-CB 4.24Å; W65-I73 HydrophobicContact CE3-CD1 3.76Å; W65-I73 HydrophobicContact CE3-CG1 4.48Å; W65-I73 HydrophobicContact CE3-CG2 4.46Å; W65-I73 HydrophobicContact CZ3-CD1 3.88Å; W65-I73 PolarHBondContact N-O 3.45Å; W65-I73 PolarHBondContact O-N 3.04Å; W65-N320 WeakPolarHBondContact CH2-ND2 3.49Å; W65-N320 WeakPolarHBondContact CH2-OD1 3.44Å
66	R	94.3	Very high	94.4	Very high	162 Å²	162	65 Å²	65	61%	0.611	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	104.8	171.8	-59.6	-177.9	179.8	81.9	1.3	108.3	I64	I64-R66 PolarHBondContact O-N 2.94Å
67	T	95.4	Very high	94.4	Very high	9 Å²	9	56.7 Å²	56.7	6%	0.055	29%	0.294	C	S	.	.			trans	-79.1	155.5	-175	61.2	0	0	0	0	111.6	W65 E69 G70 L71 I73 M323	W65-T67 HydrophobicContact CD2-CG2 3.92Å; W65-T67 HydrophobicContact CE3-CG2 4.31Å; W65-T67 HydrophobicContact CG-CG2 4.27Å; W65-T67 HydrophobicContact CZ2-CG2 4.24Å; W65-T67 PolarHBondContact O-N 3.35Å; T67-E69 WeakPolarHBondContact CB-OE2 3.24Å; T67-E69 PolarHBondContact O-N 3.22Å; T67-G70 PolarHBondContact O-N 3.48Å; T67-L71 PolarHBondContact N-O 3.41Å; T67-L71 WeakPolarHBondContact OG1-CA 3.13Å; T67-L71 WeakPolarHBondContact OG1-CB 3.49Å; T67-L71 PolarHBondContact OG1-N 2.88Å; T67-L71 PolarHBondContact OG1-O 3.2Å; T67-I73 HydrophobicContact CG2-CD1 3.65Å; T67-I73 HydrophobicContact CG2-CG1 3.89Å; T67-M323 HydrophobicContact CG2-CE 4.18Å
68	P	92.6	Very high	94.5	Very high	63 Å²	63	56.1 Å²	56.1	41%	0.409	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.7	171.3	-27.1	36.5	0	0	0	113.8	G70	P68-G70 PolarHBondContact O-N 2.94Å; P68-G70 VanDerWaalsContact O-N 3.16Å
69	E	93	Very high	94.5	Very high	28 Å²	28	56.3 Å²	56.3	13%	0.131	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-7.5	174.8	-70.6	74.5	-167.1	0	0	113.8	T67 L71 D276 A277 I278 M323	T67-E69 WeakPolarHBondContact CB-OE2 3.24Å; T67-E69 PolarHBondContact O-N 3.22Å; E69-L71 VanDerWaalsContact C-N 3.28Å; E69-L71 HydrophobicContact CB-CG 4.16Å; E69-D276 HydrophobicContact CG-CB 4.01Å; E69-A277 HydrophobicContact CG-CB 4.12Å; E69-I278 HydrophobicContact CB-CG1 3.77Å; E69-I278 HydrophobicContact CG-CG1 3.92Å; E69-M323 HydrophobicContact CB-CE 4.19Å; E69-M323 HydrophobicContact CG-CE 3.93Å; E69-M323 HydrophobicContact CG-CG 4.38Å; E69-M323 HydrophobicContact CG-SD 4.2Å
70	G	91.8	Very high	94.4	Very high	26 Å²	26	56.1 Å²	56.1	27%	0.268	29%	0.292	S	S	.	.	S	Bend	trans	78.3	11.2	-174	0	0	0	0	0	113.8	T67 P68	T67-G70 PolarHBondContact O-N 3.48Å; P68-G70 PolarHBondContact O-N 2.94Å; P68-G70 VanDerWaalsContact O-N 3.16Å
71	L	93.8	Very high	94.3	Very high	13 Å²	13	58 Å²	58	7%	0.068	30%	0.301	C	S	.	.			trans	-92.7	146.4	176.2	-55.5	-174.4	0	0	0	111.5	T67 E69 I278 M323 L440 D443 V444	T67-L71 PolarHBondContact N-O 3.41Å; T67-L71 WeakPolarHBondContact OG1-CA 3.13Å; T67-L71 WeakPolarHBondContact OG1-CB 3.49Å; T67-L71 PolarHBondContact OG1-N 2.88Å; T67-L71 PolarHBondContact OG1-O 3.2Å; E69-L71 VanDerWaalsContact C-N 3.28Å; E69-L71 HydrophobicContact CB-CG 4.16Å; L71-I278 HydrophobicContact CD1-CD1 4.1Å; L71-M323 HydrophobicContact CD1-CE 4.01Å; L71-M323 HydrophobicContact CD1-SD 4.27Å; L71-L440 HydrophobicContact CD1-CD1 4.06Å; L71-D443 HydrophobicContact CD1-CB 3.98Å; L71-D443 HydrophobicContact CD2-CB 4.18Å; L71-V444 HydrophobicContact CD1-CG2 3.85Å
72	N	94.7	Very high	93.9	Very high	40 Å²	40	54.8 Å²	54.8	21%	0.214	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	103.5	177.6	-70.3	-39.4	0	0	0	110.2	V41 I64	V41-N72 HydrophobicContact CG2-CB 3.66Å; I64-N72 HydrophobicContact CG2-CB 3.87Å
73	I	95.7	Very high	93.4	Very high	12 Å²	12	57.5 Å²	57.5	6%	0.062	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	118.4	176.4	-60.3	-179.8	0	0	0	109.2	W65 T67 Y77 M323 L440	W65-I73 HydrophobicContact CB-CB 4.3Å; W65-I73 HydrophobicContact CE3-CB 4.24Å; W65-I73 HydrophobicContact CE3-CD1 3.76Å; W65-I73 HydrophobicContact CE3-CG1 4.48Å; W65-I73 HydrophobicContact CE3-CG2 4.46Å; W65-I73 HydrophobicContact CZ3-CD1 3.88Å; W65-I73 PolarHBondContact N-O 3.45Å; W65-I73 PolarHBondContact O-N 3.04Å; T67-I73 HydrophobicContact CG2-CD1 3.65Å; T67-I73 HydrophobicContact CG2-CG1 3.89Å; I73-Y77 HydrophobicContact CG2-CE2 4.11Å; I73-M323 HydrophobicContact CD1-CE 4.39Å; I73-L440 HydrophobicContact CD1-CD1 3.96Å; I73-L440 HydrophobicContact CD1-CD2 4.09Å; I73-L440 HydrophobicContact CG1-CD1 4.05Å
74	K	96.4	Very high	92.7	Very high	22 Å²	22	57.2 Å²	57.2	10%	0.096	32%	0.316	C	S	.	.			trans	-66.2	146.6	175.7	-68.1	-171.9	-74.7	178.3	0	111.9	V41 L43 V76 Y77 D81	V41-K74 HydrophobicContact CG1-CD 3.57Å; V41-K74 HydrophobicContact CG1-CG 3.34Å; L43-K74 HydrophobicContact CD2-CB 4.29Å; L43-K74 HydrophobicContact CD2-CD 3.99Å; L43-K74 HydrophobicContact CD2-CG 4Å; K74-V76 PolarHBondContact O-N 3.19Å; K74-Y77 HydrophobicContact CB-CD2 4.1Å; K74-Y77 HydrophobicContact CB-CE1 4.29Å; K74-Y77 HydrophobicContact CB-CE2 3.65Å; K74-Y77 VanDerWaalsContact CE-CE1 3.45Å; K74-Y77 PolarHBondContact N-OH 2.73Å; K74-Y77 VanDerWaalsContact N-OH 3.11Å; K74-Y77 VanDerWaalsContact O-CE2 3.24Å; K74-Y77 WeakPolarHBondContact O-CE2 3.46Å; K74-D81 IonicContact NZ-OD1 3.19Å; K74-D81 PolarHBondContact NZ-OD1 3.23Å; K74-D81 IonicContact NZ-OD2 3.25Å; K74-D81 PolarHBondContact NZ-OD2 3.34Å
75	P	96.5	Very high	92.2	Very high	49 Å²	49	59.9 Å²	59.9	32%	0.318	33%	0.325	S	S	.	.	S	Bend	trans	-66.2	-26.4	174.6	27.1	-36.2	0	0	0	113	L43 W47 L63	L43-P75 HydrophobicContact CD2-CG 4.22Å; W47-P75 HydrophobicContact CH2-CB 3.72Å; W47-P75 HydrophobicContact CH2-CG 3.21Å; W47-P75 HydrophobicContact CZ2-CB 4.07Å; W47-P75 HydrophobicContact CZ2-CG 4Å; W47-P75 HydrophobicContact CZ3-CG 3.64Å; L63-P75 HydrophobicContact CB-CB 4.08Å; L63-P75 HydrophobicContact CB-CG 4.12Å
76	V	96.6	Very high	91.6	Very high	54 Å²	54	59.9 Å²	59.9	33%	0.327	34%	0.337	S	S	.	.			trans	-143.2	138.4	175.3	173	0	0	0	0	110.1	W47 K74 T78	W47-V76 HydrophobicContact CD2-CB 4.14Å; W47-V76 HydrophobicContact CD2-CG2 4.14Å; W47-V76 VanDerWaalsContact CE2-CG2 3.45Å; W47-V76 HydrophobicContact CG-CB 4.35Å; W47-V76 HydrophobicContact CG-CG1 4.48Å; W47-V76 HydrophobicContact CG-CG2 4.42Å; W47-V76 HydrophobicContact CZ2-CB 4.4Å; W47-V76 HydrophobicContact CZ2-CG2 3.76Å; W47-V76 VanDerWaalsContact NE1-CG2 3.3Å; K74-V76 PolarHBondContact O-N 3.19Å; V76-T78 HydrophobicContact CG1-CG2 4.36Å
77	Y	96.2	Very high	91.4	Very high	29 Å²	29	60.2 Å²	60.2	11%	0.114	35%	0.351	C	S	.	.			trans	-116.7	148.5	172.7	-69.8	-101.5	0	0	0	110.1	I73 K74 D81 M436 A439	I73-Y77 HydrophobicContact CG2-CE2 4.11Å; K74-Y77 HydrophobicContact CB-CD2 4.1Å; K74-Y77 HydrophobicContact CB-CE1 4.29Å; K74-Y77 HydrophobicContact CB-CE2 3.65Å; K74-Y77 VanDerWaalsContact CE-CE1 3.45Å; K74-Y77 PolarHBondContact N-OH 2.73Å; K74-Y77 VanDerWaalsContact N-OH 3.11Å; K74-Y77 VanDerWaalsContact O-CE2 3.24Å; K74-Y77 WeakPolarHBondContact O-CE2 3.46Å; Y77-D81 WeakPolarHBondContact CA-OD2 3.42Å; Y77-D81 HydrophobicContact CD1-CB 3.9Å; Y77-M436 HydrophobicContact CD1-CB 4.44Å; Y77-M436 HydrophobicContact CD2-CB 3.38Å; Y77-M436 HydrophobicContact CD2-CG 3.45Å; Y77-M436 VanDerWaalsContact CD2-CG 3.45Å; Y77-M436 HydrophobicContact CE2-CB 3.82Å; Y77-M436 HydrophobicContact CE2-CG 3.33Å; Y77-M436 HydrophobicContact CG-CB 3.72Å; Y77-M436 HydrophobicContact CG-CG 4.21Å; Y77-A439 HydrophobicContact CD1-CB 3.94Å; Y77-A439 HydrophobicContact CE1-CB 3.6Å
78	T	95	Very high	91.4	Very high	34 Å²	34	61.4 Å²	61.4	21%	0.209	36%	0.356	C	S	.	.			trans	-132.2	176.4	-175.8	65.4	0	0	0	0	110.9	N44 V76 A80 D81 F435	N44-T78 HydrophobicContact CB-CG2 4.29Å; V76-T78 HydrophobicContact CG1-CG2 4.36Å; T78-A80 PolarHBondContact O-N 2.77Å; T78-A80 VanDerWaalsContact O-N 3.14Å; T78-D81 PolarHBondContact N-OD2 3.31Å; T78-D81 VanDerWaalsContact O-CB 3.32Å; T78-D81 WeakPolarHBondContact O-CB 3.37Å; T78-D81 PolarHBondContact O-N 3.2Å; T78-F435 VanDerWaalsContact C-CD2 3.42Å; T78-F435 WeakPolarHBondContact O-CB 3.47Å; T78-F435 WeakPolarHBondContact O-CG 3.41Å
79	Q	93.1	Very high	91.7	Very high	150 Å²	150	63.5 Å²	63.5	70%	0.701	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-54.3	-34.1	177.8	-173.8	176.2	4.5	0	0	113.3	D81 S82 E83 F435	Q79-D81 PolarHBondContact O-N 2.7Å; Q79-D81 VanDerWaalsContact O-N 3.15Å; Q79-S82 CarbonylContact O-C 3.51Å; Q79-S82 PolarHBondContact O-N 3.25Å; Q79-S82 PolarHBondContact O-OG 3.09Å; Q79-E83 PolarHBondContact O-N 2.91Å; Q79-F435 HydrophobicContact CB-CE1 4.13Å; Q79-F435 HydrophobicContact CB-CZ 3.98Å; Q79-F435 HydrophobicContact CG-CE1 4.48Å
80	A	91.3	Very high	91.9	Very high	64 Å²	64	63.1 Å²	63.1	53%	0.529	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-58.4	-26.1	176.5	0	0	0	0	0	113	T78 S82	T78-A80 PolarHBondContact O-N 2.77Å; T78-A80 VanDerWaalsContact O-N 3.14Å; A80-S82 PolarHBondContact O-N 3.31Å
81	D	90.6	Very high	92.1	Very high	45 Å²	45	63 Å²	63	24%	0.241	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-82.3	0.4	178.7	-57.1	-52.6	0	0	0	113.6	K74 Y77 T78 Q79 R85	K74-D81 IonicContact NZ-OD1 3.19Å; K74-D81 PolarHBondContact NZ-OD1 3.23Å; K74-D81 IonicContact NZ-OD2 3.25Å; K74-D81 PolarHBondContact NZ-OD2 3.34Å; Y77-D81 WeakPolarHBondContact CA-OD2 3.42Å; Y77-D81 HydrophobicContact CD1-CB 3.9Å; T78-D81 PolarHBondContact N-OD2 3.31Å; T78-D81 VanDerWaalsContact O-CB 3.32Å; T78-D81 WeakPolarHBondContact O-CB 3.37Å; T78-D81 PolarHBondContact O-N 3.2Å; Q79-D81 PolarHBondContact O-N 2.7Å; Q79-D81 VanDerWaalsContact O-N 3.15Å; D81-R85 PolarHBondContact O-NH1 3.19Å
82	S	84.6	Confident	92.3	Very high	26 Å²	26	66.1 Å²	66.1	18%	0.182	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-130.3	9.4	177.8	61.2	0	0	0	0	112.8	Q79 A80 G84 R85 F435	Q79-S82 CarbonylContact O-C 3.51Å; Q79-S82 PolarHBondContact O-N 3.25Å; Q79-S82 PolarHBondContact O-OG 3.09Å; A80-S82 PolarHBondContact O-N 3.31Å; S82-G84 PolarHBondContact O-N 3.44Å; S82-R85 VanDerWaalsContact CA-NH1 3.35Å; S82-R85 PolarHBondContact O-N 3.1Å; S82-F435 WeakPolarHBondContact OG-CD1 3.42Å; S82-F435 WeakPolarHBondContact OG-CE1 3.42Å
83	E	83.1	Confident	92.4	Very high	167 Å²	167	67.9 Å²	67.9	78%	0.78	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	133.4	-177.9	-167.3	170.2	-162.1	0	0	110.6	Q79 R85	Q79-E83 PolarHBondContact O-N 2.91Å; E83-R85 VanDerWaalsContact C-N 3.32Å; E83-R85 PolarHBondContact O-N 3.46Å
84	G	80.6	Confident	92.4	Very high	77 Å²	77	68.3 Å²	68.3	79%	0.794	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	4.6	-179.1	0	0	0	0	0	115.9	S82	S82-G84 PolarHBondContact O-N 3.44Å
85	R	84.6	Confident	92.5	Very high	74 Å²	74	68.1 Å²	68.1	28%	0.279	39%	0.39	S	S	.	.			trans	-69.3	137	172.6	-79.3	-164.1	-179.7	105.3	9.4	111.7	D81 S82 E83 E438 D442	D81-R85 PolarHBondContact O-NH1 3.19Å; S82-R85 VanDerWaalsContact CA-NH1 3.35Å; S82-R85 PolarHBondContact O-N 3.1Å; E83-R85 VanDerWaalsContact C-N 3.32Å; E83-R85 PolarHBondContact O-N 3.46Å; R85-E438 VanDerWaalsContact CZ-C 3.44Å; R85-E438 PolarHBondContact NH2-O 2.92Å; R85-E438 VanDerWaalsContact NH2-O 3.13Å; R85-D442 IonicContact CZ-OD2 3.24Å; R85-D442 IonicContact NE-OD2 3.26Å; R85-D442 PolarHBondContact NE-OD2 3.48Å; R85-D442 VanDerWaalsContact NE-OD2 3.17Å; R85-D442 IonicContact NH2-OD2 2.75Å; R85-D442 PolarHBondContact NH2-OD2 3.14Å
86	T	84.5	Confident	92.6	Very high	113 Å²	113	65.9 Å²	65.9	69%	0.693	38%	0.375	S	S	*	.			trans	-79.6	144.1	173.2	51.4	0	0	0	0	111.3	E88	T86-E88 PolarHBondContact O-N 3.33Å
87	D	89.1	Confident	92.7	Very high	170 Å²	170	66.1 Å²	66.1	91%	0.909	37%	0.37	S	S	*	.			trans	-67.2	100.1	173.7	-74.9	-25.1	0	0	0	111.1
88	E	96.4	Very high	92.7	Very high	33 Å²	33	64.8 Å²	64.8	15%	0.154	37%	0.365	C	S	.	.			trans	-85.6	148.3	172.5	-69.5	-168.7	-138.4	0	0	111.9	T86 P94 T96 R97 R333	T86-E88 PolarHBondContact O-N 3.33Å; E88-P94 WeakPolarHBondContact OE2-CD 3.31Å; E88-T96 VanDerWaalsContact CD-OG1 3.32Å; E88-T96 PolarHBondContact OE1-OG1 3.03Å; E88-T96 WeakPolarHBondContact OE2-CB 3.44Å; E88-T96 PolarHBondContact OE2-OG1 3.41Å; E88-R97 HydrophobicContact CB-CG 4.13Å; E88-R97 WeakPolarHBondContact O-CD 3.44Å; E88-R97 PolarHBondContact O-NH1 3.12Å; E88-R333 IonicContact OE1-CZ 3.47Å; E88-R333 IonicContact OE1-NE 3.38Å; E88-R333 IonicContact OE1-NH2 2.77Å; E88-R333 PolarHBondContact OE1-NH2 2.96Å
89	L	97.9	Very high	92.8	Very high	107 Å²	107	63.3 Å²	63.3	56%	0.56	36%	0.356	S	S	*	.			trans	-123.1	144.4	177.3	-65.4	175	0	0	0	111	V92	L89-V92 HydrophobicContact CB-CB 4.31Å; L89-V92 HydrophobicContact CB-CG2 3.97Å; L89-V92 PolarHBondContact O-N 3.25Å
90	P	97.9	Very high	93	Very high	20 Å²	20	60.3 Å²	60.3	13%	0.13	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	141.9	171.4	28.1	-35.4	0	0	0	110.5	V92 R97 P101 M103 A428	P90-V92 PolarHBondContact O-N 2.9Å; P90-R97 HydrophobicContact CB-CB 4.2Å; P90-P101 WeakPolarHBondContact CG-O 3.21Å; P90-P101 WeakPolarHBondContact O-CA 3.48Å; P90-M103 HydrophobicContact CB-CG 4.26Å; P90-A428 HydrophobicContact CG-CB 4.21Å
91	G	96.5	Very high	93.3	Very high	24 Å²	24	61.7 Å²	61.7	25%	0.247	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	4.5	-176.5	0	0	0	0	0	115.4	Y95 G98	G91-Y95 WeakPolarHBondContact O-CE1 3.42Å; G91-G98 PolarHBondContact N-O 3.29Å
92	V	97.3	Very high	93.7	Very high	79 Å²	79	63.1 Å²	63.1	48%	0.479	35%	0.353	S	S	.	.	S	Bend	trans	-116.7	139.6	174.9	-176.3	0	0	0	0	109.3	L89 P90 Y95	L89-V92 HydrophobicContact CB-CB 4.31Å; L89-V92 HydrophobicContact CB-CG2 3.97Å; L89-V92 PolarHBondContact O-N 3.25Å; P90-V92 PolarHBondContact O-N 2.9Å; V92-Y95 VanDerWaalsContact O-CA 3.29Å; V92-Y95 WeakPolarHBondContact O-CA 3.02Å; V92-Y95 WeakPolarHBondContact O-CD1 3.39Å; V92-Y95 PolarHBondContact O-N 2.67Å
93	F	96.6	Very high	94.3	Very high	77 Å²	77	62.5 Å²	62.5	34%	0.338	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	132.8	174.8	176.2	-87.9	0	0	0	110.5	Y95 A336 K340 L351	F93-Y95 HydrophobicContact CB-CE2 4.02Å; F93-Y95 HydrophobicContact CD2-CE2 4.13Å; F93-A336 HydrophobicContact CD2-CB 4.07Å; F93-A336 HydrophobicContact CE2-CB 3.93Å; F93-K340 HydrophobicContact CD2-CD 4.42Å; F93-K340 HydrophobicContact CE1-CD 4.44Å; F93-K340 HydrophobicContact CE2-CB 4.45Å; F93-K340 HydrophobicContact CE2-CD 3.71Å; F93-K340 HydrophobicContact CZ-CD 3.72Å; F93-L351 HydrophobicContact CD2-CD1 3.85Å; F93-L351 HydrophobicContact CE2-CD1 4.31Å
94	P	96.4	Very high	95.1	Very high	21 Å²	21	55.7 Å²	55.7	14%	0.136	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	cis	-95.5	21.5	12.5	39.2	-37.6	0	0	0	115.2	E88 T96 R333	E88-P94 WeakPolarHBondContact OE2-CD 3.31Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 3.38Å; P94-R333 HydrophobicContact CB-CG 3.84Å; P94-R333 HydrophobicContact CG-CG 3.84Å; P94-R333 WeakPolarHBondContact O-CA 3.41Å
95	Y	97.6	Very high	95.9	Very high	18 Å²	18	55.4 Å²	55.4	7%	0.071	30%	0.298	C	S	.	.			trans	64.2	19.8	171.5	-45.8	-77.6	0	0	0	115.6	G91 V92 F93 R97 G98 R332 A336 P348 L351 L352	G91-Y95 WeakPolarHBondContact O-CE1 3.42Å; V92-Y95 VanDerWaalsContact O-CA 3.29Å; V92-Y95 WeakPolarHBondContact O-CA 3.02Å; V92-Y95 WeakPolarHBondContact O-CD1 3.39Å; V92-Y95 PolarHBondContact O-N 2.67Å; F93-Y95 HydrophobicContact CB-CE2 4.02Å; F93-Y95 HydrophobicContact CD2-CE2 4.13Å; Y95-R97 PolarHBondContact O-N 3.13Å; Y95-G98 PolarHBondContact O-N 3.25Å; Y95-R332 VanDerWaalsContact O-CD 3.27Å; Y95-R332 WeakPolarHBondContact O-CD 3.39Å; Y95-R332 PolarHBondContact O-NE 2.69Å; Y95-R332 VanDerWaalsContact O-NE 3.12Å; Y95-A336 HydrophobicContact CD2-CB 3.83Å; Y95-A336 HydrophobicContact CE2-CB 4.32Å; Y95-P348 PolarHBondContact OH-O 3.21Å; Y95-L351 HydrophobicContact CD2-CB 4.49Å; Y95-L351 HydrophobicContact CE2-CB 3.7Å; Y95-L351 HydrophobicContact CE2-CD1 4.4Å; Y95-L352 HydrophobicContact CD1-CD2 3.61Å; Y95-L352 HydrophobicContact CD2-CD2 4.11Å; Y95-L352 HydrophobicContact CE1-CD2 3.46Å; Y95-L352 VanDerWaalsContact CE1-CD2 3.46Å; Y95-L352 HydrophobicContact CE2-CD2 3.99Å; Y95-L352 HydrophobicContact CG-CD2 3.93Å
96	T	98.3	Very high	96.5	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.006	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-44.9	178	-46.5	0	0	0	0	111.1	E88 P94 G98 R329 R332 R333 T441	E88-T96 VanDerWaalsContact CD-OG1 3.32Å; E88-T96 PolarHBondContact OE1-OG1 3.03Å; E88-T96 WeakPolarHBondContact OE2-CB 3.44Å; E88-T96 PolarHBondContact OE2-OG1 3.41Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 3.38Å; T96-G98 PolarHBondContact O-N 2.64Å; T96-R329 HydrophobicContact CG2-CB 3.91Å; T96-R332 PolarHBondContact O-NE 3.18Å; T96-R332 VanDerWaalsContact O-NE 3.11Å; T96-R332 PolarHBondContact O-NH2 3.25Å; T96-R333 PolarHBondContact OG1-NE 2.81Å; T96-R333 PolarHBondContact OG1-NH2 3.26Å; T96-T441 HydrophobicContact CG2-CG2 3.99Å
97	R	98.4	Very high	97	Very high	60 Å²	60	64 Å²	64	23%	0.226	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-1.2	-177.9	-53	-162.2	71.8	-178.6	-1	114.6	E88 P90 Y95 D429	E88-R97 HydrophobicContact CB-CG 4.13Å; E88-R97 WeakPolarHBondContact O-CD 3.44Å; E88-R97 PolarHBondContact O-NH1 3.12Å; P90-R97 HydrophobicContact CB-CB 4.2Å; Y95-R97 PolarHBondContact O-N 3.13Å; R97-D429 HydrophobicContact CB-CB 3.86Å; R97-D429 WeakPolarHBondContact CB-OD2 3.32Å; R97-D429 VanDerWaalsContact CG-OD2 3.22Å; R97-D429 WeakPolarHBondContact CG-OD2 3.38Å; R97-D429 IonicContact CZ-OD2 3.79Å; R97-D429 IonicContact NE-OD2 2.71Å; R97-D429 PolarHBondContact NE-OD2 2.96Å; R97-D429 PolarHBondContact NH2-O 2.89Å; R97-D429 IonicContact NH2-OD2 3.67Å; R97-D429 WeakPolarHBondContact O-CB 3.47Å
98	G	97.8	Very high	97.3	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.288	C	S	.	.			trans	131.9	154.2	175.1	0	0	0	0	0	113.3	G91 Y95 T96 Y100	G91-G98 PolarHBondContact N-O 3.29Å; Y95-G98 PolarHBondContact O-N 3.25Å; T96-G98 PolarHBondContact O-N 2.64Å; G98-Y100 VanDerWaalsContact C-N 3.32Å; G98-Y100 PolarHBondContact O-N 3.34Å
99	P	96.3	Very high	97.4	Very high	4 Å²	4	56.3 Å²	56.3	3%	0.026	28%	0.281	C	S	.	.	S	Bend	trans	-75.4	-16	-175.6	29.4	-35.3	0	0	0	114.2	M103 L352	P99-M103 HydrophobicContact CG-SD 4.46Å; P99-L352 HydrophobicContact CB-CD2 4.04Å
100	Y	96.8	Very high	97.1	Very high	87 Å²	87	52.7 Å²	52.7	34%	0.341	26%	0.263	S	S	.	.	S	Bend	trans	-126.7	142	-175.6	-54.1	-58.7	0	0	0	111.6	G98 T102 M103 R354 Q389	G98-Y100 VanDerWaalsContact C-N 3.32Å; G98-Y100 PolarHBondContact O-N 3.34Å; Y100-T102 PolarHBondContact O-N 2.71Å; Y100-M103 VanDerWaalsContact O-CG 3.31Å; Y100-M103 WeakPolarHBondContact O-CG 3.46Å; Y100-M103 PolarHBondContact O-N 3.29Å; Y100-M103 VanDerWaalsContact O-SD 3.36Å; Y100-R354 WeakPolarHBondContact OH-CD 3.23Å; Y100-Q389 HydrophobicContact CE2-CG 3.84Å
101	P	98	Very high	96.9	Very high	92 Å²	92	51.9 Å²	51.9	60%	0.597	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-44.9	-175.8	-25.9	34.2	0	0	0	114.4	P90	P90-P101 WeakPolarHBondContact CG-O 3.21Å; P90-P101 WeakPolarHBondContact O-CA 3.48Å
102	T	98.2	Very high	96.6	Very high	75 Å²	75	51.8 Å²	51.8	46%	0.46	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-13.4	-175.9	56.4	0	0	0	0	113	Y100 Y104 T105	Y100-T102 PolarHBondContact O-N 2.71Å; T102-Y104 PolarHBondContact O-N 3.38Å; T102-Y104 VanDerWaalsContact O-N 3.12Å; T102-T105 WeakPolarHBondContact CB-OG1 3.37Å; T102-T105 WeakPolarHBondContact O-CB 3.45Å; T102-T105 WeakPolarHBondContact O-CG2 3.47Å; T102-T105 PolarHBondContact O-N 3.41Å; T102-T105 PolarHBondContact O-OG1 2.88Å
103	M	98.3	Very high	96.2	Very high	14 Å²	14	48.5 Å²	48.5	7%	0.069	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	37.4	-120.7	-167.4	-67.9	-58.5	-68.2	0	0	111.1	P90 P99 Y100 A428	P90-M103 HydrophobicContact CB-CG 4.26Å; P99-M103 HydrophobicContact CG-SD 4.46Å; Y100-M103 VanDerWaalsContact O-CG 3.31Å; Y100-M103 WeakPolarHBondContact O-CG 3.46Å; Y100-M103 PolarHBondContact O-N 3.29Å; Y100-M103 VanDerWaalsContact O-SD 3.36Å; M103-A428 HydrophobicContact CB-CB 3.99Å; M103-A428 HydrophobicContact CG-CB 4.13Å
104	Y	98.6	Very high	95	Very high	23 Å²	23	47.8 Å²	47.8	9%	0.09	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-86.4	-6.4	-175.5	-47.1	-42.7	0	0	0	115.5	T102 Y106 R107 W109 V384 G387 T388 P425	T102-Y104 PolarHBondContact O-N 3.38Å; T102-Y104 VanDerWaalsContact O-N 3.12Å; Y104-Y106 PolarHBondContact O-N 2.81Å; Y104-Y106 VanDerWaalsContact O-N 3.09Å; Y104-R107 WeakPolarHBondContact CA-O 3.35Å; Y104-W109 HydrophobicContact CD1-CE3 4.27Å; Y104-W109 HydrophobicContact CD2-CE3 4.24Å; Y104-W109 HydrophobicContact CD2-CZ3 4.47Å; Y104-W109 HydrophobicContact CE1-CB 3.93Å; Y104-W109 HydrophobicContact CE1-CE3 4.14Å; Y104-W109 HydrophobicContact CE2-CE3 4.1Å; Y104-W109 HydrophobicContact CG-CE3 4.31Å; Y104-V384 HydrophobicContact CD2-CG1 4.37Å; Y104-V384 HydrophobicContact CE2-CG1 3.86Å; Y104-V384 VanDerWaalsContact CE2-O 3.29Å; Y104-V384 WeakPolarHBondContact CE2-O 3.48Å; Y104-V384 PolarHBondContact OH-O 3.45Å; Y104-G387 WeakPolarHBondContact OH-CA 3.3Å; Y104-T388 VanDerWaalsContact CE1-O 3.25Å; Y104-T388 WeakPolarHBondContact CE1-O 3.36Å; Y104-T388 PolarHBondContact OH-N 2.86Å; Y104-T388 PolarHBondContact OH-O 2.64Å; Y104-P425 CarbonylContact C-O 3.53Å
105	T	98.2	Very high	93.8	Very high	71 Å²	71	47.3 Å²	47.3	44%	0.436	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-63	-22.7	-172.2	62.1	0	0	0	0	113.2	T102 P425	T102-T105 WeakPolarHBondContact CB-OG1 3.37Å; T102-T105 WeakPolarHBondContact O-CB 3.45Å; T102-T105 WeakPolarHBondContact O-CG2 3.47Å; T102-T105 PolarHBondContact O-N 3.41Å; T102-T105 PolarHBondContact O-OG1 2.88Å; T105-P425 WeakPolarHBondContact CA-O 3.41Å; T105-P425 PolarHBondContact N-O 3.13Å
106	Y	96.8	Very high	92.3	Very high	207 Å²	207	46.9 Å²	46.9	81%	0.812	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.7	-49.3	172.8	-179.7	-110.8	0	0	0	112.7	Y104	Y104-Y106 PolarHBondContact O-N 2.81Å; Y104-Y106 VanDerWaalsContact O-N 3.09Å
107	R	94.8	Very high	90.9	Very high	161 Å²	161	48.4 Å²	48.4	61%	0.608	23%	0.23	S	C	*	.	S	Bend	trans	-133.5	122.4	-179.5	-177.3	-179.6	176	175.3	0.7	109.5	Y104	Y104-R107 WeakPolarHBondContact CA-O 3.35Å
108	P	97.1	Very high	89.8	Confident	39 Å²	39	45.9 Å²	45.9	25%	0.253	22%	0.222	S	C	.	.			trans	-70.2	175.6	179.6	31.9	-36.5	0	0	0	111.9	Q419	P108-Q419 HydrophobicContact CB-CG 3.95Å; P108-Q419 HydrophobicContact CG-CG 4.3Å
109	W	96.9	Very high	89.1	Confident	3 Å²	3	46.8 Å²	46.8	1%	0.011	23%	0.228	C	C	.	.			trans	-59.4	157.9	171.7	69.4	91.5	0	0	0	111.1	Y104 V384 T388 Q415 I418 Q419 P425	Y104-W109 HydrophobicContact CD1-CE3 4.27Å; Y104-W109 HydrophobicContact CD2-CE3 4.24Å; Y104-W109 HydrophobicContact CD2-CZ3 4.47Å; Y104-W109 HydrophobicContact CE1-CB 3.93Å; Y104-W109 HydrophobicContact CE1-CE3 4.14Å; Y104-W109 HydrophobicContact CE2-CE3 4.1Å; Y104-W109 HydrophobicContact CG-CE3 4.31Å; W109-V384 HydrophobicContact CD2-CG2 4.02Å; W109-V384 HydrophobicContact CE3-CG1 4.12Å; W109-V384 HydrophobicContact CE3-CG2 3.83Å; W109-V384 HydrophobicContact CH2-CB 4.41Å; W109-V384 HydrophobicContact CH2-CG1 4.04Å; W109-V384 HydrophobicContact CH2-CG2 3.42Å; W109-V384 VanDerWaalsContact CH2-CG2 3.42Å; W109-V384 HydrophobicContact CZ2-CG2 3.59Å; W109-V384 HydrophobicContact CZ3-CB 4.21Å; W109-V384 HydrophobicContact CZ3-CG1 3.55Å; W109-V384 HydrophobicContact CZ3-CG2 3.53Å; W109-T388 HydrophobicContact CB-CG2 4.45Å; W109-Q415 HydrophobicContact CZ2-CB 4.3Å; W109-I418 HydrophobicContact CH2-CB 3.99Å; W109-I418 HydrophobicContact CH2-CG2 3.61Å; W109-I418 HydrophobicContact CZ2-CB 4.36Å; W109-I418 HydrophobicContact CZ2-CG2 4.35Å; W109-I418 HydrophobicContact CZ3-CG2 4.47Å; W109-Q419 HydrophobicContact CH2-CB 4.45Å; W109-Q419 HydrophobicContact CH2-CG 3.39Å; W109-Q419 HydrophobicContact CZ2-CG 3.5Å; W109-Q419 VanDerWaalsContact CZ2-CG 3.5Å; W109-Q419 HydrophobicContact CZ3-CG 3.95Å; W109-Q419 PolarHBondContact O-NE2 3.28Å; W109-P425 HydrophobicContact CZ3-CG 4.2Å
110	T	92.9	Very high	88.8	Confident	30 Å²	30	46.7 Å²	46.7	18%	0.184	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	125.1	178	-53.9	0	0	0	0	110.4	R112 Q136 Q389 S390 L391	T110-R112 PolarHBondContact O-N 2.77Å; T110-Q136 HydrophobicContact CG2-CB 3.89Å; T110-Q389 PolarHBondContact N-O 2.87Å; T110-S390 WeakPolarHBondContact O-CA 3.5Å; T110-S390 WeakPolarHBondContact O-CB 3.45Å; T110-L391 PolarHBondContact O-N 2.84Å; T110-L391 VanDerWaalsContact O-N 3.08Å
111	I	93.6	Very high	88.4	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	110.1	169.6	-57.8	-179.9	0	0	0	108	R412 Q415 I416	I111-R412 HydrophobicContact CG2-CG 4.26Å; I111-Q415 HydrophobicContact CD1-CB 3.97Å; I111-Q415 HydrophobicContact CG1-CB 4.03Å; I111-I416 HydrophobicContact CD1-CG1 3.63Å
112	R	90.6	Very high	87.9	Confident	21 Å²	21	47 Å²	47	8%	0.079	22%	0.224	C	C	.	.			trans	-128.5	85	-176	-173	-177.3	-67.4	-81.5	4.2	109.8	T110 L138 S187 L391	T110-R112 PolarHBondContact O-N 2.77Å; R112-L138 PolarHBondContact NH1-O 2.87Å; R112-S187 PolarHBondContact NH1-O 3.4Å; R112-S187 PolarHBondContact NH2-OG 3.23Å; R112-L391 PolarHBondContact N-O 3.41Å
113	Q	88	Confident	87.5	Confident	11 Å²	11	43.5 Å²	43.5	5%	0.051	20%	0.202	C	C	.	.			trans	-73.3	134.3	173	-63.7	-57.9	95.7	0	0	110.3	Q135 S139 T393	Q113-Q135 PolarHBondContact O-NE2 3.32Å; Q113-S139 WeakPolarHBondContact O-CB 3.43Å; Q113-T393 PolarHBondContact NE2-O 3.01Å; Q113-T393 VanDerWaalsContact OE1-N 3.16Å; Q113-T393 PolarHBondContact OE1-OG1 3.36Å
114	Y	72.4	Confident	87.3	Confident	61 Å²	61	43.5 Å²	43.5	24%	0.239	20%	0.202	C	C	.	.			trans	-83.1	121.1	171	-170	-116	0	0	0	106.9	S139 V140 A141 T191 H392	Y114-S139 WeakPolarHBondContact CD2-OG 3.31Å; Y114-V140 VanDerWaalsContact CE2-O 3.32Å; Y114-V140 WeakPolarHBondContact CE2-O 3.4Å; Y114-A141 HydrophobicContact CD1-CB 4.09Å; Y114-A141 HydrophobicContact CE1-CB 3.4Å; Y114-A141 HydrophobicContact CE2-CB 3.88Å; Y114-A141 VanDerWaalsContact CZ-CA 3.5Å; Y114-A141 VanDerWaalsContact OH-CA 3.31Å; Y114-A141 WeakPolarHBondContact OH-CA 3.35Å; Y114-A141 WeakPolarHBondContact OH-CB 3.27Å; Y114-T191 HydrophobicContact CE2-CG2 4.29Å; Y114-T191 WeakPolarHBondContact CE2-OG1 3.15Å; Y114-T191 VanDerWaalsContact OH-CB 3.3Å; Y114-T191 WeakPolarHBondContact OH-CB 3.43Å; Y114-T191 WeakPolarHBondContact OH-CG2 3.26Å; Y114-H392 WeakPolarHBondContact CB-CE1 2.94Å; Y114-H392 WeakPolarHBondContact CB-ND1 3.33Å; Y114-H392 PolarHBondContact N-CE1 3.22Å; Y114-H392 VanDerWaalsContact N-CE1 3.26Å; Y114-H392 PolarHBondContact N-ND1 3.4Å
115	A	71.3	Confident	86.9	Confident	11 Å²	11	49 Å²	49	9%	0.091	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-147.9	137.8	-177	0	0	0	0	0	110.2	F126 Y127 S139	A115-F126 HydrophobicContact CB-CD1 3.82Å; A115-F126 HydrophobicContact CB-CE1 3.34Å; A115-F126 HydrophobicContact CB-CZ 4.38Å; A115-Y127 HydrophobicContact CB-CE1 3.97Å; A115-Y127 VanDerWaalsContact O-CE1 3.27Å; A115-Y127 WeakPolarHBondContact O-CE1 3.37Å; A115-Y127 PolarHBondContact O-OH 3.33Å; A115-S139 PolarHBondContact N-O 2.97Å; A115-S139 VanDerWaalsContact N-O 3.15Å
116	G	64.3	Low	86.4	Confident	9 Å²	9	46.9 Å²	46.9	9%	0.093	21%	0.211	C	C	.	.			trans	-164	125.6	170.6	0	0	0	0	0	107.1
117	F	69.6	Low	86	Confident	33 Å²	33	37 Å²	37	15%	0.145	17%	0.173	C	C	.	.			trans	-99.2	167	171.6	-67.6	-90.5	0	0	0	108.6	T119 E122 S123 F126 V166 L509	F117-T119 PolarHBondContact O-N 3.49Å; F117-E122 HydrophobicContact CB-CB 3.95Å; F117-S123 PolarHBondContact N-OG 3.41Å; F117-S123 PolarHBondContact O-OG 3.02Å; F117-S123 VanDerWaalsContact O-OG 3.06Å; F117-F126 HydrophobicContact CD2-CB 3.89Å; F117-F126 HydrophobicContact CD2-CD1 4.24Å; F117-F126 HydrophobicContact CD2-CD2 4.34Å; F117-F126 AromaticContact CD2-CG 3.93Å; F117-F126 HydrophobicContact CD2-CG 3.93Å; F117-F126 HydrophobicContact CE2-CB 3.66Å; F117-F126 AromaticContact CE2-CD1 3.5Å; F117-F126 HydrophobicContact CE2-CD1 3.5Å; F117-F126 VanDerWaalsContact CE2-CD1 3.5Å; F117-F126 AromaticContact CE2-CD2 3.31Å; F117-F126 HydrophobicContact CE2-CD2 3.31Å; F117-F126 AromaticContact CE2-CE1 3.82Å; F117-F126 HydrophobicContact CE2-CE1 3.82Å; F117-F126 AromaticContact CE2-CE2 3.66Å; F117-F126 HydrophobicContact CE2-CE2 3.66Å; F117-F126 AromaticContact CE2-CG 3.2Å; F117-F126 HydrophobicContact CE2-CG 3.2Å; F117-F126 AromaticContact CE2-CZ 3.89Å; F117-F126 HydrophobicContact CE2-CZ 3.89Å; F117-F126 HydrophobicContact CZ-CD1 4.45Å; F117-F126 AromaticContact CZ-CD2 3.63Å; F117-F126 HydrophobicContact CZ-CD2 3.63Å; F117-F126 HydrophobicContact CZ-CE1 4.47Å; F117-F126 AromaticContact CZ-CE2 3.67Å; F117-F126 HydrophobicContact CZ-CE2 3.67Å; F117-F126 HydrophobicContact CZ-CG 4.03Å; F117-F126 HydrophobicContact CZ-CZ 4.09Å; F117-V166 WeakPolarHBondContact O-CG1 3.27Å; F117-L509 HydrophobicContact CD1-CD2 3.8Å; F117-L509 HydrophobicContact CE1-CD2 3.89Å
118	S	74.7	Confident	85.8	Confident	7 Å²	7	32.3 Å²	32.3	5%	0.049	16%	0.157	C	C	.	.	S	Bend	trans	-55.5	-31.7	-172.5	-54.2	0	0	0	0	115	G162 I511	S118-G162 VanDerWaalsContact CA-O 3.25Å; S118-G162 WeakPolarHBondContact CA-O 3.42Å; S118-G162 WeakPolarHBondContact CB-O 3.5Å; S118-G162 PolarHBondContact OG-O 2.95Å; S118-I511 WeakPolarHBondContact OG-CD1 3.34Å; S118-I511 WeakPolarHBondContact OG-CG1 3.4Å; S118-I511 WeakPolarHBondContact OG-CG2 3.48Å
119	T	83.9	Confident	85.4	Confident	20 Å²	20	33.9 Å²	33.9	12%	0.123	16%	0.163	C	C	.	.	S	Bend	trans	-114.3	153.1	178.6	68.9	0	0	0	0	112.5	F117 E121 E122 S123 V516	F117-T119 PolarHBondContact O-N 3.49Å; T119-E121 VanDerWaalsContact C-N 3.27Å; T119-E121 WeakPolarHBondContact CB-OE2 3.32Å; T119-E121 PolarHBondContact O-N 3.08Å; T119-E122 WeakPolarHBondContact OG1-CB 3.48Å; T119-E122 VanDerWaalsContact OG1-CD 3.23Å; T119-E122 VanDerWaalsContact OG1-CG 3.23Å; T119-E122 WeakPolarHBondContact OG1-CG 3.27Å; T119-E122 PolarHBondContact OG1-N 3.42Å; T119-E122 PolarHBondContact OG1-OE2 3.15Å; T119-S123 WeakPolarHBondContact O-CB 3.46Å; T119-S123 PolarHBondContact O-N 3.29Å; T119-S123 PolarHBondContact O-OG 3.2Å; T119-V516 HydrophobicContact CG2-CG1 4.31Å; T119-V516 HydrophobicContact CG2-CG2 3.95Å
120	V	89.1	Confident	84.8	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.012	17%	0.165	C	C	.	.	H	α-helix	trans	-65.3	-32.1	177	-66.1	0	0	0	0	111.9	N124 V166 I168 D173 M176 L177	V120-N124 VanDerWaalsContact O-CB 3.23Å; V120-N124 WeakPolarHBondContact O-CB 3.32Å; V120-N124 PolarHBondContact O-N 3.08Å; V120-V166 HydrophobicContact CG1-CB 4.49Å; V120-I168 HydrophobicContact CG1-CD1 3.83Å; V120-D173 HydrophobicContact CG1-CB 4.29Å; V120-M176 HydrophobicContact CB-CB 4.35Å; V120-M176 HydrophobicContact CG2-CB 3.72Å; V120-M176 HydrophobicContact CG2-CE 4.39Å; V120-M176 HydrophobicContact CG2-SD 4.3Å; V120-L177 HydrophobicContact CB-CB 4.28Å; V120-L177 HydrophobicContact CB-CD1 4.35Å; V120-L177 HydrophobicContact CG1-CB 4.29Å; V120-L177 HydrophobicContact CG1-CD1 4.42Å
121	E	90.1	Very high	84.5	Confident	81 Å²	81	35.5 Å²	35.5	38%	0.379	17%	0.17	S	C	.	.	H	α-helix	trans	-69.1	-45.6	179.2	-61.7	85.1	168	0	0	111.9	T119 K125 M176 K523	T119-E121 VanDerWaalsContact C-N 3.27Å; T119-E121 WeakPolarHBondContact CB-OE2 3.32Å; T119-E121 PolarHBondContact O-N 3.08Å; E121-K125 PolarHBondContact O-N 3.43Å; E121-K125 VanDerWaalsContact O-N 3.08Å; E121-M176 HydrophobicContact CG-CE 3.95Å; E121-M176 WeakPolarHBondContact OE1-CE 3.48Å; E121-K523 IonicContact OE1-NZ 2.78Å; E121-K523 PolarHBondContact OE1-NZ 2.93Å; E121-K523 IonicContact OE2-NZ 2.8Å
122	E	87.8	Confident	84.3	Confident	105 Å²	105	43.2 Å²	43.2	49%	0.491	20%	0.203	S	C	.	.	H	α-helix	trans	-66.4	-42.6	176.1	-71.2	166.4	148.2	0	0	111.1	F117 T119 K125 F126	F117-E122 HydrophobicContact CB-CB 3.95Å; T119-E122 WeakPolarHBondContact OG1-CB 3.48Å; T119-E122 VanDerWaalsContact OG1-CD 3.23Å; T119-E122 VanDerWaalsContact OG1-CG 3.23Å; T119-E122 WeakPolarHBondContact OG1-CG 3.27Å; T119-E122 PolarHBondContact OG1-N 3.42Å; T119-E122 PolarHBondContact OG1-OE2 3.15Å; E122-K125 PolarHBondContact O-N 3.29Å; E122-F126 WeakPolarHBondContact O-CB 3.46Å; E122-F126 PolarHBondContact O-N 2.75Å
123	S	89.1	Confident	84	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.2	-46	176	-63.1	0	0	0	0	111.9	F117 T119 K125 F126 Y127 V166	F117-S123 PolarHBondContact N-OG 3.41Å; F117-S123 PolarHBondContact O-OG 3.02Å; F117-S123 VanDerWaalsContact O-OG 3.06Å; T119-S123 WeakPolarHBondContact O-CB 3.46Å; T119-S123 PolarHBondContact O-N 3.29Å; T119-S123 PolarHBondContact O-OG 3.2Å; S123-K125 PolarHBondContact O-N 3.35Å; S123-F126 PolarHBondContact O-N 3.22Å; S123-Y127 WeakPolarHBondContact O-CB 3.18Å; S123-Y127 WeakPolarHBondContact O-CD1 3.42Å; S123-Y127 WeakPolarHBondContact O-CD2 3.36Å; S123-Y127 PolarHBondContact O-N 2.9Å; S123-V166 WeakPolarHBondContact OG-CG1 3.47Å
124	N	93.2	Very high	83.7	Confident	14 Å²	14	45.7 Å²	45.7	8%	0.075	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-46.2	177.3	178.6	-91.9	0	0	0	112	V120 F126 Y127 K128 L177 D179	V120-N124 VanDerWaalsContact O-CB 3.23Å; V120-N124 WeakPolarHBondContact O-CB 3.32Å; V120-N124 PolarHBondContact O-N 3.08Å; N124-F126 VanDerWaalsContact C-N 3.35Å; N124-F126 PolarHBondContact O-N 3.48Å; N124-Y127 PolarHBondContact O-N 3.12Å; N124-K128 WeakPolarHBondContact O-CG 3.49Å; N124-K128 PolarHBondContact O-N 2.98Å; N124-K128 WeakPolarHBondContact OD1-CE 3.33Å; N124-K128 PolarHBondContact OD1-NZ 3.22Å; N124-L177 WeakPolarHBondContact CB-O 3.31Å; N124-L177 PolarHBondContact ND2-O 3.4Å; N124-D179 PolarHBondContact ND2-N 3.29Å; N124-D179 PolarHBondContact ND2-O 3.01Å
125	K	91.5	Very high	84.1	Confident	139 Å²	139	43.1 Å²	43.1	60%	0.604	22%	0.224	S	C	*	.	H	α-helix	trans	-59.5	-47.6	176.5	-179.1	-179.7	174.6	-174.6	0	110.8	E121 E122 S123 Y127 K128 D129	E121-K125 PolarHBondContact O-N 3.43Å; E121-K125 VanDerWaalsContact O-N 3.08Å; E122-K125 PolarHBondContact O-N 3.29Å; S123-K125 PolarHBondContact O-N 3.35Å; K125-Y127 VanDerWaalsContact C-N 3.35Å; K125-Y127 PolarHBondContact O-N 2.82Å; K125-K128 PolarHBondContact O-N 3.19Å; K125-D129 PolarHBondContact O-N 2.99Å
126	F	86.5	Confident	84.5	Confident	27 Å²	27	46.9 Å²	46.9	12%	0.118	24%	0.24	C	C	.	.	H	α-helix	trans	-61.5	-41.8	178.8	-176.7	-97.3	0	0	0	112.6	A115 F117 E122 S123 N124 K128 D129 N130 A408	A115-F126 HydrophobicContact CB-CD1 3.82Å; A115-F126 HydrophobicContact CB-CE1 3.34Å; A115-F126 HydrophobicContact CB-CZ 4.38Å; F117-F126 HydrophobicContact CD2-CB 3.89Å; F117-F126 HydrophobicContact CD2-CD1 4.24Å; F117-F126 HydrophobicContact CD2-CD2 4.34Å; F117-F126 AromaticContact CD2-CG 3.93Å; F117-F126 HydrophobicContact CD2-CG 3.93Å; F117-F126 HydrophobicContact CE2-CB 3.66Å; F117-F126 AromaticContact CE2-CD1 3.5Å; F117-F126 HydrophobicContact CE2-CD1 3.5Å; F117-F126 VanDerWaalsContact CE2-CD1 3.5Å; F117-F126 AromaticContact CE2-CD2 3.31Å; F117-F126 HydrophobicContact CE2-CD2 3.31Å; F117-F126 AromaticContact CE2-CE1 3.82Å; F117-F126 HydrophobicContact CE2-CE1 3.82Å; F117-F126 AromaticContact CE2-CE2 3.66Å; F117-F126 HydrophobicContact CE2-CE2 3.66Å; F117-F126 AromaticContact CE2-CG 3.2Å; F117-F126 HydrophobicContact CE2-CG 3.2Å; F117-F126 AromaticContact CE2-CZ 3.89Å; F117-F126 HydrophobicContact CE2-CZ 3.89Å; F117-F126 HydrophobicContact CZ-CD1 4.45Å; F117-F126 AromaticContact CZ-CD2 3.63Å; F117-F126 HydrophobicContact CZ-CD2 3.63Å; F117-F126 HydrophobicContact CZ-CE1 4.47Å; F117-F126 AromaticContact CZ-CE2 3.67Å; F117-F126 HydrophobicContact CZ-CE2 3.67Å; F117-F126 HydrophobicContact CZ-CG 4.03Å; F117-F126 HydrophobicContact CZ-CZ 4.09Å; E122-F126 WeakPolarHBondContact O-CB 3.46Å; E122-F126 PolarHBondContact O-N 2.75Å; S123-F126 PolarHBondContact O-N 3.22Å; N124-F126 VanDerWaalsContact C-N 3.35Å; N124-F126 PolarHBondContact O-N 3.48Å; F126-K128 PolarHBondContact O-N 2.94Å; F126-D129 PolarHBondContact O-N 3.29Å; F126-N130 WeakPolarHBondContact CE1-ND2 3.24Å; F126-N130 WeakPolarHBondContact CZ-ND2 3.49Å; F126-N130 WeakPolarHBondContact O-CB 3.45Å; F126-N130 PolarHBondContact O-N 3.34Å; F126-A408 HydrophobicContact CE2-CB 4.5Å; F126-A408 HydrophobicContact CZ-CB 4.11Å
127	Y	89.2	Confident	85.5	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.9	-46.3	174.7	-64.6	-20.1	0	0	0	111.7	A115 S123 N124 K125 D129 N130 I131 L138 V140 L177 I181	A115-Y127 HydrophobicContact CB-CE1 3.97Å; A115-Y127 VanDerWaalsContact O-CE1 3.27Å; A115-Y127 WeakPolarHBondContact O-CE1 3.37Å; A115-Y127 PolarHBondContact O-OH 3.33Å; S123-Y127 WeakPolarHBondContact O-CB 3.18Å; S123-Y127 WeakPolarHBondContact O-CD1 3.42Å; S123-Y127 WeakPolarHBondContact O-CD2 3.36Å; S123-Y127 PolarHBondContact O-N 2.9Å; N124-Y127 PolarHBondContact O-N 3.12Å; K125-Y127 VanDerWaalsContact C-N 3.35Å; K125-Y127 PolarHBondContact O-N 2.82Å; Y127-D129 VanDerWaalsContact C-N 3.34Å; Y127-D129 PolarHBondContact O-N 2.92Å; Y127-N130 PolarHBondContact O-N 3.31Å; Y127-I131 WeakPolarHBondContact O-CB 3.42Å; Y127-I131 WeakPolarHBondContact O-CD1 3.31Å; Y127-I131 WeakPolarHBondContact O-CG1 3.37Å; Y127-I131 PolarHBondContact O-N 3.35Å; Y127-L138 HydrophobicContact CD1-CD2 4.1Å; Y127-L138 HydrophobicContact CD2-CD1 4.49Å; Y127-L138 HydrophobicContact CG-CD2 3.91Å; Y127-V140 HydrophobicContact CE2-CG2 4.4Å; Y127-L177 HydrophobicContact CD2-CD1 4.43Å; Y127-L177 HydrophobicContact CE2-CD1 3.68Å; Y127-L177 HydrophobicContact CE2-CG 4.11Å; Y127-I181 HydrophobicContact CD2-CD1 4.21Å
128	K	90.9	Very high	86.4	Confident	62 Å²	62	44.9 Å²	44.9	27%	0.27	23%	0.229	S	C	.	.	H	α-helix	trans	-60.2	-42.9	176.8	-74.5	170.5	175.5	161.2	0	111.9	N124 K125 F126 K132 D179 I181	N124-K128 WeakPolarHBondContact O-CG 3.49Å; N124-K128 PolarHBondContact O-N 2.98Å; N124-K128 WeakPolarHBondContact OD1-CE 3.33Å; N124-K128 PolarHBondContact OD1-NZ 3.22Å; K125-K128 PolarHBondContact O-N 3.19Å; F126-K128 PolarHBondContact O-N 2.94Å; K128-K132 WeakPolarHBondContact O-CG 3.37Å; K128-K132 PolarHBondContact O-N 3.36Å; K128-K132 VanDerWaalsContact O-N 3.14Å; K128-D179 WeakPolarHBondContact CE-O 3.4Å; K128-D179 PolarHBondContact NZ-O 2.89Å; K128-I181 HydrophobicContact CG-CG1 4.34Å
129	D	88.8	Confident	87	Confident	71 Å²	71	44.7 Å²	44.7	38%	0.38	23%	0.227	S	C	.	.	H	α-helix	trans	-68.1	-38.9	179.8	-69.9	-19	0	0	0	111.9	K125 F126 Y127 K132 A133	K125-D129 PolarHBondContact O-N 2.99Å; F126-D129 PolarHBondContact O-N 3.29Å; Y127-D129 VanDerWaalsContact C-N 3.34Å; Y127-D129 PolarHBondContact O-N 2.92Å; D129-K132 PolarHBondContact O-N 3.35Å; D129-K132 IonicContact OD1-NZ 3.77Å; D129-A133 WeakPolarHBondContact O-CB 3.48Å; D129-A133 PolarHBondContact O-N 2.92Å
130	N	83.8	Confident	87.4	Confident	13 Å²	13	43.7 Å²	43.7	7%	0.07	22%	0.221	C	C	.	.	H	α-helix	trans	-70.5	-37.6	176	-81.4	-3.4	0	0	0	113.7	F126 Y127 K132 A133 G134 Q135 R412	F126-N130 WeakPolarHBondContact CE1-ND2 3.24Å; F126-N130 WeakPolarHBondContact CZ-ND2 3.49Å; F126-N130 WeakPolarHBondContact O-CB 3.45Å; F126-N130 PolarHBondContact O-N 3.34Å; Y127-N130 PolarHBondContact O-N 3.31Å; N130-K132 VanDerWaalsContact C-N 3.3Å; N130-K132 PolarHBondContact O-N 3.49Å; N130-A133 CarbonylContact O-C 3.47Å; N130-A133 WeakPolarHBondContact O-CA 3.35Å; N130-A133 PolarHBondContact O-N 3.49Å; N130-A133 VanDerWaalsContact O-N 3.07Å; N130-G134 PolarHBondContact O-N 2.55Å; N130-Q135 HydrophobicContact CB-CB 3.96Å; N130-Q135 PolarHBondContact ND2-OE1 3.29Å; N130-Q135 VanDerWaalsContact O-CB 3.24Å; N130-Q135 WeakPolarHBondContact O-CB 3.11Å; N130-Q135 PolarHBondContact O-N 3.49Å; N130-R412 PolarHBondContact OD1-NH1 2.9Å
131	I	86.1	Confident	87.4	Confident	55 Å²	55	43.9 Å²	43.9	28%	0.282	22%	0.223	S	C	.	.	H	α-helix	trans	-58.9	-46.2	173.5	-70.1	162.8	0	0	0	109.5	Y127 A133 G134 L138 M186	Y127-I131 WeakPolarHBondContact O-CB 3.42Å; Y127-I131 WeakPolarHBondContact O-CD1 3.31Å; Y127-I131 WeakPolarHBondContact O-CG1 3.37Å; Y127-I131 PolarHBondContact O-N 3.35Å; I131-A133 PolarHBondContact O-N 3.38Å; I131-G134 PolarHBondContact O-N 2.99Å; I131-L138 HydrophobicContact CD1-CD1 4.32Å; I131-L138 HydrophobicContact CD1-CD2 4.05Å; I131-L138 HydrophobicContact CD1-CG 4.45Å; I131-L138 HydrophobicContact CG1-CD2 4.13Å; I131-M186 HydrophobicContact CD1-CE 3.72Å; I131-M186 HydrophobicContact CD1-SD 4.37Å; I131-M186 HydrophobicContact CG1-CE 3.85Å
132	K	89.3	Confident	87.6	Confident	166 Å²	166	40.1 Å²	40.1	72%	0.722	21%	0.205	S	C	*	.	H	α-helix	trans	-60.2	-31.8	175	-70.1	170.9	-172.8	168.6	0	112.6	K128 D129 N130 G134	K128-K132 WeakPolarHBondContact O-CG 3.37Å; K128-K132 PolarHBondContact O-N 3.36Å; K128-K132 VanDerWaalsContact O-N 3.14Å; D129-K132 PolarHBondContact O-N 3.35Å; D129-K132 IonicContact OD1-NZ 3.77Å; N130-K132 VanDerWaalsContact C-N 3.3Å; N130-K132 PolarHBondContact O-N 3.49Å; K132-G134 VanDerWaalsContact C-N 3.33Å
133	A	85.3	Confident	87.9	Confident	42 Å²	42	35.1 Å²	35.1	35%	0.347	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	15.8	-179.4	0	0	0	0	0	114.4	D129 N130 I131 R412	D129-A133 WeakPolarHBondContact O-CB 3.48Å; D129-A133 PolarHBondContact O-N 2.92Å; N130-A133 CarbonylContact O-C 3.47Å; N130-A133 WeakPolarHBondContact O-CA 3.35Å; N130-A133 PolarHBondContact O-N 3.49Å; N130-A133 VanDerWaalsContact O-N 3.07Å; I131-A133 PolarHBondContact O-N 3.38Å; A133-R412 VanDerWaalsContact CB-CZ 3.47Å; A133-R412 PolarHBondContact O-NE 3.22Å
134	G	80.1	Confident	88.2	Confident	42 Å²	42	35.9 Å²	35.9	43%	0.433	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	99.4	4.6	170.9	0	0	0	0	0	116	N130 I131 K132 Q136	N130-G134 PolarHBondContact O-N 2.55Å; I131-G134 PolarHBondContact O-N 2.99Å; K132-G134 VanDerWaalsContact C-N 3.33Å; G134-Q136 PolarHBondContact O-N 2.84Å
135	Q	81.1	Confident	88.4	Confident	7 Å²	7	35.2 Å²	35.2	3%	0.033	18%	0.183	C	C	.	.			trans	-67.6	127.5	172.7	-176.6	166.6	-18.2	0	0	110.6	Q113 N130 G137	Q113-Q135 PolarHBondContact O-NE2 3.32Å; N130-Q135 HydrophobicContact CB-CB 3.96Å; N130-Q135 PolarHBondContact ND2-OE1 3.29Å; N130-Q135 VanDerWaalsContact O-CB 3.24Å; N130-Q135 WeakPolarHBondContact O-CB 3.11Å; N130-Q135 PolarHBondContact O-N 3.49Å; Q135-G137 VanDerWaalsContact CG-O 3.3Å; Q135-G137 WeakPolarHBondContact CG-O 3.3Å; Q135-G137 PolarHBondContact NE2-O 3Å
136	Q	81	Confident	88.7	Confident	89 Å²	89	28.6 Å²	28.6	42%	0.416	15%	0.154	S	C	.	.			trans	-96.8	-20.1	-170.9	-66.1	179.1	-33.2	0	0	114	T110 G134	T110-Q136 HydrophobicContact CG2-CB 3.89Å; G134-Q136 PolarHBondContact O-N 2.84Å
137	G	84.4	Confident	89.2	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-145.3	148.4	178.2	0	0	0	0	0	111.2	Q135	Q135-G137 VanDerWaalsContact CG-O 3.3Å; Q135-G137 WeakPolarHBondContact CG-O 3.3Å; Q135-G137 PolarHBondContact NE2-O 3Å
138	L	87.8	Confident	89.6	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	150.6	178.3	-63.7	177.1	0	0	0	110.3	R112 Y127 I131 F178 I181 M186 S187 S189	R112-L138 PolarHBondContact NH1-O 2.87Å; Y127-L138 HydrophobicContact CD1-CD2 4.1Å; Y127-L138 HydrophobicContact CD2-CD1 4.49Å; Y127-L138 HydrophobicContact CG-CD2 3.91Å; I131-L138 HydrophobicContact CD1-CD1 4.32Å; I131-L138 HydrophobicContact CD1-CD2 4.05Å; I131-L138 HydrophobicContact CD1-CG 4.45Å; I131-L138 HydrophobicContact CG1-CD2 4.13Å; L138-F178 HydrophobicContact CD1-CE1 4.33Å; L138-I181 HydrophobicContact CD1-CD1 4.04Å; L138-I181 HydrophobicContact CD1-CG2 3.82Å; L138-M186 HydrophobicContact CD1-CE 4.24Å; L138-M186 HydrophobicContact CG-CE 3.88Å; L138-S187 PolarHBondContact N-O 2.78Å; L138-S189 PolarHBondContact O-N 2.87Å
139	S	88.3	Confident	90	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.021	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	117.4	173.3	-160.6	0	0	0	0	109.2	Q113 Y114 A115 S189	Q113-S139 WeakPolarHBondContact O-CB 3.43Å; Y114-S139 WeakPolarHBondContact CD2-OG 3.31Å; A115-S139 PolarHBondContact N-O 2.97Å; A115-S139 VanDerWaalsContact N-O 3.15Å; S139-S189 CarbonylContact C-O 3.59Å; S139-S189 VanDerWaalsContact CA-O 3.24Å; S139-S189 WeakPolarHBondContact CA-O 3.37Å; S139-S189 WeakPolarHBondContact OG-CB 2.92Å
140	V	91.3	Very high	90.4	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128	-170.8	-175.3	0	0	0	0	110.5	Y114 Y127 F142 V166 L177 F178 V188 S189 M190 T191	Y114-V140 VanDerWaalsContact CE2-O 3.32Å; Y114-V140 WeakPolarHBondContact CE2-O 3.4Å; Y127-V140 HydrophobicContact CE2-CG2 4.4Å; V140-F142 HydrophobicContact CB-CE2 4.22Å; V140-F142 HydrophobicContact CB-CZ 4.04Å; V140-F142 HydrophobicContact CG1-CD1 4.19Å; V140-F142 HydrophobicContact CG1-CD2 4.47Å; V140-F142 HydrophobicContact CG1-CE1 3.68Å; V140-F142 HydrophobicContact CG1-CE2 4.01Å; V140-F142 HydrophobicContact CG1-CZ 3.59Å; V140-V166 HydrophobicContact CG1-CG2 4.3Å; V140-L177 HydrophobicContact CG1-CD2 3.83Å; V140-L177 HydrophobicContact CG2-CD2 4.23Å; V140-F178 HydrophobicContact CG2-CE1 4.41Å; V140-F178 HydrophobicContact CG2-CZ 3.91Å; V140-V188 HydrophobicContact CG2-CG1 4.19Å; V140-S189 PolarHBondContact N-O 3.11Å; V140-M190 HydrophobicContact CB-CG 4.48Å; V140-T191 PolarHBondContact O-N 3.02Å
141	A	89.8	Confident	91.1	Very high	5 Å²	5	22.5 Å²	22.5	4%	0.041	12%	0.123	C	C	.	.	P	Polyproline II helix	trans	-99.1	126.6	169.6	0	0	0	0	0	110.5	Y114 V166	Y114-A141 HydrophobicContact CD1-CB 4.09Å; Y114-A141 HydrophobicContact CE1-CB 3.4Å; Y114-A141 HydrophobicContact CE2-CB 3.88Å; Y114-A141 VanDerWaalsContact CZ-CA 3.5Å; Y114-A141 VanDerWaalsContact OH-CA 3.31Å; Y114-A141 WeakPolarHBondContact OH-CA 3.35Å; Y114-A141 WeakPolarHBondContact OH-CB 3.27Å; A141-V166 WeakPolarHBondContact O-CG1 3.36Å; A141-V166 PolarHBondContact O-N 2.95Å
142	F	94.2	Very high	91.6	Very high	3 Å²	3	19.9 Å²	19.9	1%	0.013	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-101.9	153.1	178.4	-57.7	-81.8	0	0	0	110.6	V140 T146 H147 V166 I168 M174 M190 M192 V199	V140-F142 HydrophobicContact CB-CE2 4.22Å; V140-F142 HydrophobicContact CB-CZ 4.04Å; V140-F142 HydrophobicContact CG1-CD1 4.19Å; V140-F142 HydrophobicContact CG1-CD2 4.47Å; V140-F142 HydrophobicContact CG1-CE1 3.68Å; V140-F142 HydrophobicContact CG1-CE2 4.01Å; V140-F142 HydrophobicContact CG1-CZ 3.59Å; F142-T146 HydrophobicContact CB-CG2 4.15Å; F142-T146 HydrophobicContact CD1-CG2 4.07Å; F142-T146 HydrophobicContact CG-CG2 4.32Å; F142-H147 PolarHBondContact O-CD2 2.82Å; F142-V166 WeakPolarHBondContact CA-O 3.4Å; F142-V166 HydrophobicContact CD1-CG2 4.05Å; F142-V166 HydrophobicContact CE1-CG2 4.45Å; F142-I168 HydrophobicContact CD1-CG1 3.8Å; F142-I168 HydrophobicContact CE1-CG1 3.85Å; F142-M174 HydrophobicContact CE1-CE 4.17Å; F142-M174 HydrophobicContact CZ-CE 4.48Å; F142-M190 HydrophobicContact CE2-CB 4Å; F142-M190 HydrophobicContact CE2-CG 4.33Å; F142-M190 HydrophobicContact CZ-CB 4.29Å; F142-M190 HydrophobicContact CZ-CG 4.15Å; F142-M190 HydrophobicContact CZ-SD 4.35Å; F142-M192 HydrophobicContact CB-CE 3.56Å; F142-M192 HydrophobicContact CD1-CE 4.3Å; F142-M192 HydrophobicContact CD2-CB 4.14Å; F142-M192 HydrophobicContact CD2-CE 3.44Å; F142-M192 VanDerWaalsContact CD2-CE 3.44Å; F142-M192 HydrophobicContact CE2-CB 4.03Å; F142-M192 HydrophobicContact CE2-CE 4.19Å; F142-M192 HydrophobicContact CG-CE 3.49Å; F142-M192 VanDerWaalsContact CG-CE 3.49Å; F142-V199 HydrophobicContact CE1-CG1 4Å; F142-V199 HydrophobicContact CE2-CG1 4.15Å; F142-V199 HydrophobicContact CZ-CG1 3.64Å
143	D	94.3	Very high	92	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-68.6	163	171.1	74.6	1.4	0	0	0	112.3	P145 T146 H147 G162 V166 A167	D143-P145 VanDerWaalsContact CG-CD 3.44Å; D143-P145 WeakPolarHBondContact OD1-CD 3.29Å; D143-T146 PolarHBondContact O-N 2.6Å; D143-T146 WeakPolarHBondContact OD1-CB 3.22Å; D143-T146 PolarHBondContact OD1-N 3.47Å; D143-T146 PolarHBondContact OD1-OG1 3.46Å; D143-H147 PolarHBondContact O-CD2 3Å; D143-H147 VanDerWaalsContact O-CD2 3.29Å; D143-H147 PolarHBondContact O-N 2.91Å; D143-G162 PolarHBondContact OD2-N 3.42Å; D143-V166 PolarHBondContact N-O 3.19Å; D143-A167 WeakPolarHBondContact OD2-CA 3.43Å; D143-A167 VanDerWaalsContact OD2-CB 3.31Å; D143-A167 WeakPolarHBondContact OD2-CB 3.19Å
144	L	95.7	Very high	92.5	Very high	15 Å²	15	15.1 Å²	15.1	8%	0.079	9%	0.086	C	C	.	.	H	α-helix	trans	-63	-37.6	-179.5	-64.1	172.5	0	0	0	114	H147 R148 A164 T234 Q633 A684	L144-H147 WeakPolarHBondContact O-CB 3.42Å; L144-H147 PolarHBondContact O-N 3.1Å; L144-R148 PolarHBondContact O-N 2.97Å; L144-R148 VanDerWaalsContact O-N 3.08Å; L144-A164 HydrophobicContact CG-CB 4.04Å; L144-T234 HydrophobicContact CD2-CG2 4.42Å; L144-Q633 HydrophobicContact CB-CB 3.63Å; L144-Q633 HydrophobicContact CD1-CB 4.35Å; L144-A684 HydrophobicContact CD1-CB 3.54Å
145	P	96.8	Very high	93.2	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	10%	0.097	C	C	.	.	H	α-helix	trans	-54.7	-52.4	170.8	-20.7	24.9	0	0	0	112.7	D143 H147 R148 G149 Y150 V157 D160 V161	D143-P145 VanDerWaalsContact CG-CD 3.44Å; D143-P145 WeakPolarHBondContact OD1-CD 3.29Å; P145-H147 VanDerWaalsContact C-N 3.29Å; P145-H147 PolarHBondContact O-N 2.73Å; P145-R148 CarbonylContact O-C 3.52Å; P145-R148 PolarHBondContact O-N 2.98Å; P145-R148 VanDerWaalsContact O-N 3.14Å; P145-G149 PolarHBondContact O-N 3.08Å; P145-Y150 PolarHBondContact O-N 3.45Å; P145-V157 HydrophobicContact CB-CB 4.02Å; P145-V157 HydrophobicContact CB-CG1 4.3Å; P145-V157 HydrophobicContact CB-CG2 3.9Å; P145-V157 HydrophobicContact CG-CB 3.9Å; P145-V157 HydrophobicContact CG-CG2 4.04Å; P145-D160 HydrophobicContact CG-CB 3.97Å; P145-V161 HydrophobicContact CG-CG2 4.23Å
146	T	97.8	Very high	93.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.3	-45.4	178.1	-56.1	0	0	0	0	109.9	F142 D143 R148 G149 I168 M192 A195 V199	F142-T146 HydrophobicContact CB-CG2 4.15Å; F142-T146 HydrophobicContact CD1-CG2 4.07Å; F142-T146 HydrophobicContact CG-CG2 4.32Å; D143-T146 PolarHBondContact O-N 2.6Å; D143-T146 WeakPolarHBondContact OD1-CB 3.22Å; D143-T146 PolarHBondContact OD1-N 3.47Å; D143-T146 PolarHBondContact OD1-OG1 3.46Å; T146-R148 VanDerWaalsContact C-N 3.27Å; T146-R148 PolarHBondContact O-N 3.44Å; T146-G149 PolarHBondContact O-N 3.29Å; T146-G149 VanDerWaalsContact O-N 3.12Å; T146-I168 HydrophobicContact CG2-CB 3.97Å; T146-I168 PolarHBondContact OG1-N 3.47Å; T146-I168 VanDerWaalsContact OG1-N 3.1Å; T146-I168 PolarHBondContact OG1-O 3.13Å; T146-M192 HydrophobicContact CG2-CE 3.89Å; T146-A195 WeakPolarHBondContact O-CB 3.35Å; T146-V199 HydrophobicContact CG2-CG2 3.91Å
147	H	97.9	Very high	94.4	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.014	9%	0.094	C	C	.	.	H	α-helix	trans	-53.7	-41.4	177.8	-95.2	-68.4	0	0	0	113.9	F142 D143 L144 P145 T191 M192 G194 A195 R232 T234	F142-H147 PolarHBondContact O-CD2 2.82Å; D143-H147 PolarHBondContact O-CD2 3Å; D143-H147 VanDerWaalsContact O-CD2 3.29Å; D143-H147 PolarHBondContact O-N 2.91Å; L144-H147 WeakPolarHBondContact O-CB 3.42Å; L144-H147 PolarHBondContact O-N 3.1Å; P145-H147 VanDerWaalsContact C-N 3.29Å; P145-H147 PolarHBondContact O-N 2.73Å; H147-T191 PolarHBondContact CE1-O 3.36Å; H147-T191 PolarHBondContact NE2-O 2.79Å; H147-M192 HydrophobicContact CB-CE 4.38Å; H147-G194 WeakPolarHBondContact O-CA 3.49Å; H147-A195 PolarHBondContact O-N 2.76Å; H147-R232 PolarHBondContact CE1-NH1 3.32Å; H147-R232 VanDerWaalsContact CE1-NH1 3.27Å; H147-R232 PolarHBondContact CE1-NH2 3.24Å; H147-R232 PolarHBondContact NE2-NH2 2.73Å; H147-T234 HydrophobicContact CB-CG2 4.16Å
148	R	97.9	Very high	94.6	Very high	13 Å²	13	19.9 Å²	19.9	5%	0.049	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	10.8	-177.3	-59.9	-161.3	68.6	-130	1.5	113.7	L144 P145 T146 Y150 I236 F660	L144-R148 PolarHBondContact O-N 2.97Å; L144-R148 VanDerWaalsContact O-N 3.08Å; P145-R148 CarbonylContact O-C 3.52Å; P145-R148 PolarHBondContact O-N 2.98Å; P145-R148 VanDerWaalsContact O-N 3.14Å; T146-R148 VanDerWaalsContact C-N 3.27Å; T146-R148 PolarHBondContact O-N 3.44Å; R148-Y150 HydrophobicContact CB-CD2 3.94Å; R148-Y150 HydrophobicContact CB-CE2 4.05Å; R148-I236 VanDerWaalsContact O-CD1 3.27Å; R148-I236 WeakPolarHBondContact O-CD1 3.47Å; R148-I236 WeakPolarHBondContact O-CG1 3.3Å; R148-F660 VanDerWaalsContact CZ-CE2 3.43Å; R148-F660 VanDerWaalsContact NH1-CD2 3.31Å; R148-F660 VanDerWaalsContact NH2-CD2 3.29Å; R148-F660 VanDerWaalsContact NH2-CE2 3.34Å
149	G	97.9	Very high	94.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	38.2	172.4	0	0	0	0	0	113.2	P145 T146 G569 T572	P145-G149 PolarHBondContact O-N 3.08Å; T146-G149 PolarHBondContact O-N 3.29Å; T146-G149 VanDerWaalsContact O-N 3.12Å; G149-G569 WeakPolarHBondContact O-CA 3.09Å; G149-T572 WeakPolarHBondContact CA-OG1 3.29Å
150	Y	98.4	Very high	94.9	Very high	19 Å²	19	20 Å²	20	8%	0.075	10%	0.102	C	C	.	.			trans	-108.8	142.9	173.6	-69.8	-66.3	0	0	0	110.9	P145 R148 N154 V157	P145-Y150 PolarHBondContact O-N 3.45Å; R148-Y150 HydrophobicContact CB-CD2 3.94Å; R148-Y150 HydrophobicContact CB-CE2 4.05Å; Y150-N154 HydrophobicContact CD1-CB 4.37Å; Y150-N154 VanDerWaalsContact CD1-ND2 3.34Å; Y150-N154 WeakPolarHBondContact CD1-ND2 3.02Å; Y150-V157 HydrophobicContact CD2-CG1 3.62Å; Y150-V157 HydrophobicContact CE2-CG1 4.35Å; Y150-V157 HydrophobicContact CG-CG1 3.72Å
151	D	98.3	Very high	95	Very high	10 Å²	10	20 Å²	20	5%	0.053	10%	0.102	C	C	.	.			trans	-77.8	154.1	166.3	-69.6	-15.8	0	0	0	110.8	D153 N154 D169 L524 K528 S567 G569	D151-D153 WeakPolarHBondContact CB-OD1 3.48Å; D151-D153 PolarHBondContact O-N 3.43Å; D151-D153 VanDerWaalsContact O-N 3.16Å; D151-N154 VanDerWaalsContact O-CB 3.23Å; D151-N154 WeakPolarHBondContact O-CB 3.43Å; D151-N154 PolarHBondContact O-N 3.42Å; D151-D169 WeakPolarHBondContact CA-OD1 3.12Å; D151-L524 HydrophobicContact CB-CD2 3.83Å; D151-K528 IonicContact OD2-NZ 2.8Å; D151-S567 VanDerWaalsContact CG-OG 3.23Å; D151-S567 WeakPolarHBondContact OD1-CB 3.14Å; D151-S567 PolarHBondContact OD1-OG 3.33Å; D151-S567 VanDerWaalsContact OD1-OG 3.1Å; D151-S567 VanDerWaalsContact OD2-CB 3.26Å; D151-S567 WeakPolarHBondContact OD2-CB 3.4Å; D151-S567 PolarHBondContact OD2-OG 2.95Å; D151-G569 WeakPolarHBondContact OD1-CA 3.5Å; D151-G569 PolarHBondContact OD1-N 3.49Å
152	S	97.1	Very high	95	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.6	-178.4	-60.7	0	0	0	0	114.9	D169 Q520	S152-D169 WeakPolarHBondContact CB-OD1 3.03Å; S152-D169 PolarHBondContact N-OD1 2.86Å; S152-D169 PolarHBondContact OG-OD1 3.05Å; S152-D169 PolarHBondContact OG-OD2 3.41Å; S152-Q520 WeakPolarHBondContact OG-CG 3.49Å
153	D	96.5	Very high	94.6	Very high	66 Å²	66	20.5 Å²	20.5	35%	0.353	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-7	173.8	66.1	0.3	0	0	0	113.4	D151 I521 L524 K528	D151-D153 WeakPolarHBondContact CB-OD1 3.48Å; D151-D153 PolarHBondContact O-N 3.43Å; D151-D153 VanDerWaalsContact O-N 3.16Å; D153-I521 HydrophobicContact CB-CG1 4Å; D153-L524 HydrophobicContact CB-CD2 4.2Å; D153-L524 WeakPolarHBondContact OD2-CD2 3.43Å; D153-K528 IonicContact OD2-NZ 2.9Å; D153-K528 PolarHBondContact OD2-NZ 3.43Å
154	N	96.9	Very high	94.2	Very high	41 Å²	41	22.4 Å²	22.4	22%	0.219	12%	0.119	C	C	.	.			trans	-69.4	126.8	-177.5	-168	-53.6	0	0	0	111.8	Y150 D151 R156 V157	Y150-N154 HydrophobicContact CD1-CB 4.37Å; Y150-N154 VanDerWaalsContact CD1-ND2 3.34Å; Y150-N154 WeakPolarHBondContact CD1-ND2 3.02Å; D151-N154 VanDerWaalsContact O-CB 3.23Å; D151-N154 WeakPolarHBondContact O-CB 3.43Å; D151-N154 PolarHBondContact O-N 3.42Å; N154-R156 PolarHBondContact O-N 3.18Å; N154-R156 VanDerWaalsContact O-N 3.15Å; N154-R156 WeakPolarHBondContact OD1-CB 3.32Å; N154-R156 PolarHBondContact OD1-N 3.09Å; N154-V157 HydrophobicContact CB-CG2 4.03Å; N154-V157 WeakPolarHBondContact O-CG2 3.43Å; N154-V157 PolarHBondContact O-N 3.45Å
155	P	93.1	Very high	93.9	Very high	101 Å²	101	21.7 Å²	21.7	66%	0.656	12%	0.116	S	C	*	.	G	3₁₀ helix	trans	-59.1	-28.8	-179.4	-26.1	34.6	0	0	0	114.9	V157 H158	P155-V157 PolarHBondContact O-N 3.21Å; P155-H158 PolarHBondContact O-ND1 3.4Å
156	R	94.1	Very high	93.7	Very high	106 Å²	106	21.7 Å²	21.7	40%	0.4	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-71.1	-14.7	-178.5	-76.2	-171.2	172	-86.2	-3.1	114	N154 Q633 T662 E665	N154-R156 PolarHBondContact O-N 3.18Å; N154-R156 VanDerWaalsContact O-N 3.15Å; N154-R156 WeakPolarHBondContact OD1-CB 3.32Å; N154-R156 PolarHBondContact OD1-N 3.09Å; R156-Q633 PolarHBondContact O-NE2 3.12Å; R156-T662 HydrophobicContact CG-CG2 4.42Å; R156-E665 IonicContact CZ-OE1 3.48Å; R156-E665 IonicContact NH1-OE1 2.84Å; R156-E665 PolarHBondContact NH1-OE1 3.16Å; R156-E665 IonicContact NH1-OE2 3.76Å; R156-E665 PolarHBondContact NH1-OE2 3.42Å; R156-E665 IonicContact NH2-OE1 3.89Å; R156-E665 PolarHBondContact NH2-OE1 3.47Å
157	V	93.9	Very high	93.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-120.1	10.9	-172.7	-50.5	0	0	0	0	113.1	P145 Y150 N154 P155 G159 D160 V161 Q633	P145-V157 HydrophobicContact CB-CB 4.02Å; P145-V157 HydrophobicContact CB-CG1 4.3Å; P145-V157 HydrophobicContact CB-CG2 3.9Å; P145-V157 HydrophobicContact CG-CB 3.9Å; P145-V157 HydrophobicContact CG-CG2 4.04Å; Y150-V157 HydrophobicContact CD2-CG1 3.62Å; Y150-V157 HydrophobicContact CE2-CG1 4.35Å; Y150-V157 HydrophobicContact CG-CG1 3.72Å; N154-V157 HydrophobicContact CB-CG2 4.03Å; N154-V157 WeakPolarHBondContact O-CG2 3.43Å; N154-V157 PolarHBondContact O-N 3.45Å; P155-V157 PolarHBondContact O-N 3.21Å; V157-G159 PolarHBondContact O-N 2.99Å; V157-D160 PolarHBondContact O-N 3.48Å; V157-V161 HydrophobicContact CG2-CG2 4.18Å; V157-V161 WeakPolarHBondContact O-CG2 3.31Å; V157-V161 PolarHBondContact O-N 2.96Å; V157-Q633 HydrophobicContact CB-CG 4.24Å; V157-Q633 HydrophobicContact CG1-CG 3.68Å
158	H	89.6	Confident	93.5	Very high	32 Å²	32	21.7 Å²	21.7	15%	0.148	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.9	-170.8	75.1	-88.9	0	0	0	114.4	P155 T689 E693	P155-H158 PolarHBondContact O-ND1 3.4Å; H158-T689 VanDerWaalsContact NE2-CG2 3.33Å; H158-T689 WeakPolarHBondContact NE2-CG2 3.1Å; H158-E693 IonicContact CE1-OE1 3.26Å; H158-E693 IonicContact CE1-OE2 2.76Å; H158-E693 PolarHBondContact CE1-OE2 3.29Å; H158-E693 IonicContact NE2-OE1 3.75Å; H158-E693 PolarHBondContact NE2-OE1 3.39Å; H158-E693 IonicContact NE2-OE2 3.65Å
159	G	88.3	Confident	93.5	Very high	1 Å²	1	21 Å²	21	1%	0.01	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-11	176.9	0	0	0	0	0	114.5	V157 M163	V157-G159 PolarHBondContact O-N 2.99Å; G159-M163 WeakPolarHBondContact O-CG 3Å
160	D	92.5	Very high	93.5	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.016	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-13.2	-167.6	-56.9	-64.6	0	0	0	113.8	P145 V157 G162 M163 Q633	P145-D160 HydrophobicContact CG-CB 3.97Å; V157-D160 PolarHBondContact O-N 3.48Å; D160-G162 PolarHBondContact O-N 3.44Å; D160-M163 PolarHBondContact O-N 3.36Å; D160-Q633 HydrophobicContact CB-CB 4.38Å; D160-Q633 HydrophobicContact CB-CG 4.4Å; D160-Q633 PolarHBondContact OD1-N 2.99Å; D160-Q633 WeakPolarHBondContact OD2-CG 3.36Å; D160-Q633 PolarHBondContact OD2-N 3.1Å
161	V	93.3	Very high	93.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	120.1	-177.5	-177.5	0	0	0	0	111.2	P145 V157 M163 A167 V516 R517	P145-V161 HydrophobicContact CG-CG2 4.23Å; V157-V161 HydrophobicContact CG2-CG2 4.18Å; V157-V161 WeakPolarHBondContact O-CG2 3.31Å; V157-V161 PolarHBondContact O-N 2.96Å; V161-M163 PolarHBondContact O-N 2.98Å; V161-A167 HydrophobicContact CG1-CB 4.17Å; V161-V516 HydrophobicContact CG1-CG1 4.41Å; V161-R517 HydrophobicContact CB-CB 4.22Å; V161-R517 HydrophobicContact CB-CG 4.5Å; V161-R517 HydrophobicContact CG1-CB 4.23Å; V161-R517 HydrophobicContact CG2-CG 4.32Å
162	G	89.5	Confident	93.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	10.7	177	0	0	0	0	0	115.9	S118 D143 D160 G165	S118-G162 VanDerWaalsContact CA-O 3.25Å; S118-G162 WeakPolarHBondContact CA-O 3.42Å; S118-G162 WeakPolarHBondContact CB-O 3.5Å; S118-G162 PolarHBondContact OG-O 2.95Å; D143-G162 PolarHBondContact OD2-N 3.42Å; D160-G162 PolarHBondContact O-N 3.44Å; G162-G165 CarbonylContact C-O 3.56Å; G162-G165 WeakPolarHBondContact CA-O 3.38Å
163	M	87.3	Confident	93.5	Very high	19 Å²	19	22.3 Å²	22.3	9%	0.094	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-51.8	-176.3	-65.2	-54	-68.5	0	0	112.7	G159 D160 V161 I511 N513 A685	G159-M163 WeakPolarHBondContact O-CG 3Å; D160-M163 PolarHBondContact O-N 3.36Å; V161-M163 PolarHBondContact O-N 2.98Å; M163-I511 HydrophobicContact CE-CB 4.23Å; M163-I511 WeakPolarHBondContact O-CD1 3.39Å; M163-I511 HydrophobicContact SD-CB 4.09Å; M163-I511 HydrophobicContact SD-CG2 3.77Å; M163-N513 HydrophobicContact CG-CB 4.32Å; M163-N513 HydrophobicContact SD-CB 3.53Å; M163-N513 VanDerWaalsContact SD-CB 3.53Å; M163-A685 HydrophobicContact CE-CB 3.36Å; M163-A685 WeakPolarHBondContact CE-O 3.28Å
164	A	85.9	Confident	93.6	Very high	40 Å²	40	19.2 Å²	19.2	33%	0.331	10%	0.104	S	C	.	.	S	Bend	trans	-89.3	-8.2	-175.5	0	0	0	0	0	113.8	L144	L144-A164 HydrophobicContact CG-CB 4.04Å
165	G	88.9	Confident	93.6	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.01	11%	0.106	C	C	.	.	S	Bend	trans	171.7	-163.8	-175	0	0	0	0	0	111.5	G162	G162-G165 CarbonylContact C-O 3.56Å; G162-G165 WeakPolarHBondContact CA-O 3.38Å
166	V	91.8	Very high	93.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-75	137.2	-178.4	-30.9	0	0	0	0	110.2	F117 V120 S123 V140 A141 F142 D143 I168 L177	F117-V166 WeakPolarHBondContact O-CG1 3.27Å; V120-V166 HydrophobicContact CG1-CB 4.49Å; S123-V166 WeakPolarHBondContact OG-CG1 3.47Å; V140-V166 HydrophobicContact CG1-CG2 4.3Å; A141-V166 WeakPolarHBondContact O-CG1 3.36Å; A141-V166 PolarHBondContact O-N 2.95Å; F142-V166 WeakPolarHBondContact CA-O 3.4Å; F142-V166 HydrophobicContact CD1-CG2 4.05Å; F142-V166 HydrophobicContact CE1-CG2 4.45Å; D143-V166 PolarHBondContact N-O 3.19Å; V166-I168 HydrophobicContact CG2-CD1 3.76Å; V166-I168 HydrophobicContact CG2-CG1 3.76Å; V166-L177 HydrophobicContact CG1-CD1 4.3Å; V166-L177 HydrophobicContact CG2-CD2 4.36Å
167	A	94.7	Very high	93.8	Very high	3 Å²	3	13.8 Å²	13.8	3%	0.025	7%	0.073	C	C	.	.			trans	-82.4	126.2	171.3	0	0	0	0	0	110.6	D143 V161 Q520	D143-A167 WeakPolarHBondContact OD2-CA 3.43Å; D143-A167 VanDerWaalsContact OD2-CB 3.31Å; D143-A167 WeakPolarHBondContact OD2-CB 3.19Å; V161-A167 HydrophobicContact CG1-CB 4.17Å; A167-Q520 HydrophobicContact CB-CG 4.13Å
168	I	97.3	Very high	94	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.073	C	C	.	.			trans	-126.8	112.5	175.1	-57.6	-63.2	0	0	0	108.7	V120 F142 T146 V166 D173 M174 M202 V568	V120-I168 HydrophobicContact CG1-CD1 3.83Å; F142-I168 HydrophobicContact CD1-CG1 3.8Å; F142-I168 HydrophobicContact CE1-CG1 3.85Å; T146-I168 HydrophobicContact CG2-CB 3.97Å; T146-I168 PolarHBondContact OG1-N 3.47Å; T146-I168 VanDerWaalsContact OG1-N 3.1Å; T146-I168 PolarHBondContact OG1-O 3.13Å; V166-I168 HydrophobicContact CG2-CD1 3.76Å; V166-I168 HydrophobicContact CG2-CG1 3.76Å; I168-D173 HydrophobicContact CD1-CB 3.73Å; I168-D173 HydrophobicContact CG2-CB 4.37Å; I168-M174 HydrophobicContact CG1-CE 4.44Å; I168-M174 HydrophobicContact CG2-CE 4.2Å; I168-M202 HydrophobicContact CG2-SD 3.85Å; I168-V568 HydrophobicContact CG2-CG2 4.42Å; I168-V568 VanDerWaalsContact O-CG2 3.31Å; I168-V568 WeakPolarHBondContact O-CG2 3.37Å
169	D	98.3	Very high	94.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.092	C	C	.	.			trans	-102.9	-33.4	172.3	-53.9	-49.2	0	0	0	111.4	D151 S152 D173 Q520 L524 S567 V568	D151-D169 WeakPolarHBondContact CA-OD1 3.12Å; S152-D169 WeakPolarHBondContact CB-OD1 3.03Å; S152-D169 PolarHBondContact N-OD1 2.86Å; S152-D169 PolarHBondContact OG-OD1 3.05Å; S152-D169 PolarHBondContact OG-OD2 3.41Å; D169-D173 PolarHBondContact N-OD2 2.98Å; D169-Q520 WeakPolarHBondContact OD2-CG 3.17Å; D169-Q520 PolarHBondContact OD2-NE2 2.82Å; D169-L524 HydrophobicContact CB-CD1 4.02Å; D169-S567 CarbonylContact O-C 3.49Å; D169-S567 WeakPolarHBondContact O-CA 3.15Å; D169-S567 VanDerWaalsContact O-CB 3.32Å; D169-S567 WeakPolarHBondContact O-CB 3.39Å; D169-V568 PolarHBondContact O-N 3.44Å
170	T	98.6	Very high	94.6	Very high	2 Å²	2	20 Å²	20	1%	0.012	12%	0.121	C	C	.	.	S	Bend	trans	-140.5	171.9	-173.5	69.7	0	0	0	0	112.2	E172 D173 L524 V527	T170-E172 PolarHBondContact O-N 2.99Å; T170-E172 PolarHBondContact OG1-N 3.23Å; T170-D173 PolarHBondContact N-OD2 3.47Å; T170-D173 PolarHBondContact O-N 3.43Å; T170-D173 PolarHBondContact OG1-OD2 3.01Å; T170-L524 HydrophobicContact CG2-CD1 3.76Å; T170-V527 HydrophobicContact CG2-CB 4.47Å; T170-V527 HydrophobicContact CG2-CG1 4.03Å
171	V	98.3	Very high	94.6	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.6	-27.2	173.9	69.1	0	0	0	0	112.9	D173 M174 K175 M202 V205 A562 R565	V171-D173 VanDerWaalsContact C-N 3.33Å; V171-D173 PolarHBondContact O-N 3.38Å; V171-M174 PolarHBondContact O-N 2.92Å; V171-K175 HydrophobicContact CG2-CD 4.33Å; V171-K175 HydrophobicContact CG2-CG 4.44Å; V171-K175 VanDerWaalsContact O-CG 3.3Å; V171-K175 WeakPolarHBondContact O-CG 3.46Å; V171-K175 PolarHBondContact O-N 2.95Å; V171-M202 HydrophobicContact CB-CB 4.49Å; V171-M202 HydrophobicContact CB-CG 4.2Å; V171-V205 HydrophobicContact CG2-CB 3.89Å; V171-V205 HydrophobicContact CG2-CG1 3.73Å; V171-A562 WeakPolarHBondContact CG1-O 3.39Å; V171-R565 HydrophobicContact CG1-CG 4.19Å
172	E	98.2	Very high	94.6	Very high	52 Å²	52	22.4 Å²	22.4	24%	0.243	14%	0.137	C	C	.	.	H	α-helix	trans	-67.4	-34.4	179.7	-57.7	-55.7	149.2	0	0	111.8	T170 K175 M176 V527 R565	T170-E172 PolarHBondContact O-N 2.99Å; T170-E172 PolarHBondContact OG1-N 3.23Å; E172-K175 PolarHBondContact O-N 2.95Å; E172-K175 IonicContact OE1-NZ 2.99Å; E172-K175 PolarHBondContact OE1-NZ 3.11Å; E172-K175 WeakPolarHBondContact OE2-CD 3.45Å; E172-K175 WeakPolarHBondContact OE2-CE 3.31Å; E172-K175 IonicContact OE2-NZ 2.73Å; E172-K175 PolarHBondContact OE2-NZ 2.97Å; E172-M176 VanDerWaalsContact O-CG 3.31Å; E172-M176 WeakPolarHBondContact O-CG 3.4Å; E172-M176 PolarHBondContact O-N 3.05Å; E172-V527 HydrophobicContact CB-CG2 4.37Å; E172-V527 HydrophobicContact CG-CG2 3.98Å; E172-R565 IonicContact OE1-CZ 3.7Å; E172-R565 VanDerWaalsContact OE1-CZ 3.3Å; E172-R565 IonicContact OE1-NE 3.8Å; E172-R565 PolarHBondContact OE1-NE 3.34Å; E172-R565 IonicContact OE1-NH2 3.26Å; E172-R565 PolarHBondContact OE1-NH2 2.95Å
173	D	97.4	Very high	94.9	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.011	14%	0.137	C	C	.	.	H	α-helix	trans	-66.3	-42.5	174.2	-54.4	-58.4	0	0	0	110.9	V120 I168 D169 T170 V171 K175 M176 L177 Q520	V120-D173 HydrophobicContact CG1-CB 4.29Å; I168-D173 HydrophobicContact CD1-CB 3.73Å; I168-D173 HydrophobicContact CG2-CB 4.37Å; D169-D173 PolarHBondContact N-OD2 2.98Å; T170-D173 PolarHBondContact N-OD2 3.47Å; T170-D173 PolarHBondContact O-N 3.43Å; T170-D173 PolarHBondContact OG1-OD2 3.01Å; V171-D173 VanDerWaalsContact C-N 3.33Å; V171-D173 PolarHBondContact O-N 3.38Å; D173-K175 VanDerWaalsContact C-N 3.32Å; D173-K175 PolarHBondContact O-N 3.49Å; D173-M176 PolarHBondContact O-N 3.22Å; D173-L177 WeakPolarHBondContact O-CB 3.41Å; D173-L177 PolarHBondContact O-N 2.98Å; D173-Q520 PolarHBondContact OD1-NE2 3.37Å; D173-Q520 PolarHBondContact OD2-NE2 3.24Å
174	M	97.1	Very high	95.1	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.1	-37.1	176.9	-166.2	67	75.7	0	0	112	F142 I168 V171 L177 F178 V199 M202 T206	F142-M174 HydrophobicContact CE1-CE 4.17Å; F142-M174 HydrophobicContact CZ-CE 4.48Å; I168-M174 HydrophobicContact CG1-CE 4.44Å; I168-M174 HydrophobicContact CG2-CE 4.2Å; V171-M174 PolarHBondContact O-N 2.92Å; M174-L177 WeakPolarHBondContact O-CB 3.49Å; M174-L177 PolarHBondContact O-N 2.79Å; M174-L177 HydrophobicContact SD-CD2 4.07Å; M174-F178 HydrophobicContact CG-CD2 4.14Å; M174-F178 HydrophobicContact CG-CE2 4.16Å; M174-F178 WeakPolarHBondContact O-CD2 3.45Å; M174-F178 PolarHBondContact O-N 3.32Å; M174-F178 HydrophobicContact SD-CD2 4.01Å; M174-F178 HydrophobicContact SD-CE2 3.49Å; M174-F178 WeakPolarHBondContact SD-CE2 3.44Å; M174-V199 HydrophobicContact CE-CG1 4.06Å; M174-M202 HydrophobicContact CB-CB 4.2Å; M174-M202 HydrophobicContact CE-CB 4.28Å; M174-M202 HydrophobicContact CG-CB 4.37Å; M174-T206 WeakPolarHBondContact CB-OG1 3.31Å; M174-T206 VanDerWaalsContact CG-OG1 3.28Å; M174-T206 WeakPolarHBondContact CG-OG1 3.2Å
175	K	97.7	Very high	95.3	Very high	61 Å²	61	31.1 Å²	31.1	27%	0.265	17%	0.168	S	C	.	.	H	α-helix	trans	-63.6	-44.5	173.6	-73.8	166.5	62.6	179.7	0	111.9	V171 E172 D173 L177 F178 D179 T206 E209	V171-K175 HydrophobicContact CG2-CD 4.33Å; V171-K175 HydrophobicContact CG2-CG 4.44Å; V171-K175 VanDerWaalsContact O-CG 3.3Å; V171-K175 WeakPolarHBondContact O-CG 3.46Å; V171-K175 PolarHBondContact O-N 2.95Å; E172-K175 PolarHBondContact O-N 2.95Å; E172-K175 IonicContact OE1-NZ 2.99Å; E172-K175 PolarHBondContact OE1-NZ 3.11Å; E172-K175 WeakPolarHBondContact OE2-CD 3.45Å; E172-K175 WeakPolarHBondContact OE2-CE 3.31Å; E172-K175 IonicContact OE2-NZ 2.73Å; E172-K175 PolarHBondContact OE2-NZ 2.97Å; D173-K175 VanDerWaalsContact C-N 3.32Å; D173-K175 PolarHBondContact O-N 3.49Å; K175-L177 VanDerWaalsContact C-N 3.32Å; K175-L177 PolarHBondContact O-N 2.93Å; K175-F178 CarbonylContact O-C 3.37Å; K175-F178 PolarHBondContact O-N 3.31Å; K175-D179 PolarHBondContact O-N 3.06Å; K175-T206 HydrophobicContact CG-CG2 4.05Å; K175-E209 WeakPolarHBondContact CD-OE2 3.25Å; K175-E209 WeakPolarHBondContact CE-OE2 3.45Å; K175-E209 IonicContact NZ-OE2 3.31Å; K175-E209 PolarHBondContact NZ-OE2 3.47Å
176	M	96.4	Very high	95.3	Very high	73 Å²	73	32.1 Å²	32.1	36%	0.36	17%	0.173	S	C	.	.	H	α-helix	trans	-63.5	-40	175.9	-67.7	179.4	76.7	0	0	111.6	V120 E121 E172 D173 F178 D179	V120-M176 HydrophobicContact CB-CB 4.35Å; V120-M176 HydrophobicContact CG2-CB 3.72Å; V120-M176 HydrophobicContact CG2-CE 4.39Å; V120-M176 HydrophobicContact CG2-SD 4.3Å; E121-M176 HydrophobicContact CG-CE 3.95Å; E121-M176 WeakPolarHBondContact OE1-CE 3.48Å; E172-M176 VanDerWaalsContact O-CG 3.31Å; E172-M176 WeakPolarHBondContact O-CG 3.4Å; E172-M176 PolarHBondContact O-N 3.05Å; D173-M176 PolarHBondContact O-N 3.22Å; M176-F178 VanDerWaalsContact C-N 3.27Å; M176-F178 PolarHBondContact O-N 3.48Å; M176-D179 PolarHBondContact O-N 3.09Å
177	L	95.6	Very high	95.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.2	-38.3	177.7	-173.8	66.4	0	0	0	112.4	V120 N124 Y127 V140 V166 D173 M174 K175	V120-L177 HydrophobicContact CB-CB 4.28Å; V120-L177 HydrophobicContact CB-CD1 4.35Å; V120-L177 HydrophobicContact CG1-CB 4.29Å; V120-L177 HydrophobicContact CG1-CD1 4.42Å; N124-L177 WeakPolarHBondContact CB-O 3.31Å; N124-L177 PolarHBondContact ND2-O 3.4Å; Y127-L177 HydrophobicContact CD2-CD1 4.43Å; Y127-L177 HydrophobicContact CE2-CD1 3.68Å; Y127-L177 HydrophobicContact CE2-CG 4.11Å; V140-L177 HydrophobicContact CG1-CD2 3.83Å; V140-L177 HydrophobicContact CG2-CD2 4.23Å; V166-L177 HydrophobicContact CG1-CD1 4.3Å; V166-L177 HydrophobicContact CG2-CD2 4.36Å; D173-L177 WeakPolarHBondContact O-CB 3.41Å; D173-L177 PolarHBondContact O-N 2.98Å; M174-L177 WeakPolarHBondContact O-CB 3.49Å; M174-L177 PolarHBondContact O-N 2.79Å; M174-L177 HydrophobicContact SD-CD2 4.07Å; K175-L177 VanDerWaalsContact C-N 3.32Å; K175-L177 PolarHBondContact O-N 2.93Å
178	F	96.4	Very high	95.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	13.4	-179.4	-63.9	-60.9	0	0	0	114.6	L138 V140 M174 K175 M176 G180 I181 L183 V188 F203 T206 Q210	L138-F178 HydrophobicContact CD1-CE1 4.33Å; V140-F178 HydrophobicContact CG2-CE1 4.41Å; V140-F178 HydrophobicContact CG2-CZ 3.91Å; M174-F178 HydrophobicContact CG-CD2 4.14Å; M174-F178 HydrophobicContact CG-CE2 4.16Å; M174-F178 WeakPolarHBondContact O-CD2 3.45Å; M174-F178 PolarHBondContact O-N 3.32Å; M174-F178 HydrophobicContact SD-CD2 4.01Å; M174-F178 HydrophobicContact SD-CE2 3.49Å; M174-F178 WeakPolarHBondContact SD-CE2 3.44Å; K175-F178 CarbonylContact O-C 3.37Å; K175-F178 PolarHBondContact O-N 3.31Å; M176-F178 VanDerWaalsContact C-N 3.27Å; M176-F178 PolarHBondContact O-N 3.48Å; F178-G180 PolarHBondContact O-N 3.02Å; F178-I181 HydrophobicContact CD1-CD1 4.34Å; F178-I181 HydrophobicContact CD1-CG2 4.48Å; F178-I181 PolarHBondContact O-N 3Å; F178-L183 HydrophobicContact CB-CD1 4.49Å; F178-L183 HydrophobicContact CB-CD2 4.36Å; F178-L183 HydrophobicContact CD1-CD2 3.93Å; F178-L183 HydrophobicContact CD2-CD2 4.44Å; F178-L183 HydrophobicContact CE1-CD2 4.35Å; F178-L183 HydrophobicContact CG-CD2 3.99Å; F178-V188 HydrophobicContact CE1-CG1 3.99Å; F178-V188 HydrophobicContact CE1-CG2 4.09Å; F178-V188 HydrophobicContact CZ-CG1 3.62Å; F178-V188 HydrophobicContact CZ-CG2 4.37Å; F178-F203 HydrophobicContact CD2-CD2 4.48Å; F178-F203 AromaticContact CE2-CD2 3.84Å; F178-F203 HydrophobicContact CE2-CD2 3.84Å; F178-F203 HydrophobicContact CE2-CE2 4.14Å; F178-F203 HydrophobicContact CZ-CD2 4.41Å; F178-F203 HydrophobicContact CZ-CE2 4.38Å; F178-T206 HydrophobicContact CB-CG2 4.28Å; F178-T206 HydrophobicContact CD2-CG2 4.29Å; F178-Q210 PolarHBondContact O-NE2 3.47Å
179	D	96.7	Very high	94.9	Very high	102 Å²	102	34.2 Å²	34.2	55%	0.545	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	127.1	178.1	177.9	45.7	0	0	0	110.8	N124 K128 K175 M176 I181	N124-D179 PolarHBondContact ND2-N 3.29Å; N124-D179 PolarHBondContact ND2-O 3.01Å; K128-D179 WeakPolarHBondContact CE-O 3.4Å; K128-D179 PolarHBondContact NZ-O 2.89Å; K175-D179 PolarHBondContact O-N 3.06Å; M176-D179 PolarHBondContact O-N 3.09Å; D179-I181 PolarHBondContact O-N 3.07Å
180	G	94.4	Very high	94.8	Very high	61 Å²	61	34.2 Å²	34.2	63%	0.629	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.2	13.4	-175.3	0	0	0	0	0	115.8	F178	F178-G180 PolarHBondContact O-N 3.02Å
181	I	93.8	Very high	94.5	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.015	19%	0.191	C	C	.	.			trans	-106.8	114.9	173.3	-60.7	178.9	0	0	0	108.7	Y127 K128 L138 F178 D179 L183 M186 Q210	Y127-I181 HydrophobicContact CD2-CD1 4.21Å; K128-I181 HydrophobicContact CG-CG1 4.34Å; L138-I181 HydrophobicContact CD1-CD1 4.04Å; L138-I181 HydrophobicContact CD1-CG2 3.82Å; F178-I181 HydrophobicContact CD1-CD1 4.34Å; F178-I181 HydrophobicContact CD1-CG2 4.48Å; F178-I181 PolarHBondContact O-N 3Å; D179-I181 PolarHBondContact O-N 3.07Å; I181-L183 PolarHBondContact O-N 3.39Å; I181-L183 VanDerWaalsContact O-N 3.09Å; I181-M186 HydrophobicContact CG2-CB 4.35Å; I181-M186 HydrophobicContact CG2-CG 3.79Å; I181-Q210 PolarHBondContact O-NE2 2.89Å; I181-Q210 PolarHBondContact O-OE1 2.85Å
182	P	92.9	Very high	94.5	Very high	52 Å²	52	34.9 Å²	34.9	34%	0.338	19%	0.191	S	C	.	.			trans	-74.3	99.7	-176.2	28.5	-33.5	0	0	0	111.9	E184 K185 M186	P182-E184 VanDerWaalsContact C-OE2 3.24Å; P182-E184 WeakPolarHBondContact CA-OE2 3.47Å; P182-E184 WeakPolarHBondContact CB-OE1 3.42Å; P182-E184 WeakPolarHBondContact CB-OE2 3.49Å; P182-E184 PolarHBondContact O-N 3.06Å; P182-K185 HydrophobicContact CB-CB 4.49Å; P182-K185 HydrophobicContact CB-CD 4.42Å; P182-K185 HydrophobicContact CG-CB 4.35Å; P182-K185 HydrophobicContact CG-CD 4.35Å; P182-K185 PolarHBondContact O-N 3.1Å; P182-M186 WeakPolarHBondContact O-CG 3.4Å; P182-M186 PolarHBondContact O-N 3.35Å; P182-M186 VanDerWaalsContact O-N 3.12Å
183	L	94.4	Very high	94.4	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.1	-176.2	-69.7	-179.8	0	0	0	113.9	F178 I181 K185 V188 F203 T206 Q210 L217	F178-L183 HydrophobicContact CB-CD1 4.49Å; F178-L183 HydrophobicContact CB-CD2 4.36Å; F178-L183 HydrophobicContact CD1-CD2 3.93Å; F178-L183 HydrophobicContact CD2-CD2 4.44Å; F178-L183 HydrophobicContact CE1-CD2 4.35Å; F178-L183 HydrophobicContact CG-CD2 3.99Å; I181-L183 PolarHBondContact O-N 3.39Å; I181-L183 VanDerWaalsContact O-N 3.09Å; L183-K185 VanDerWaalsContact C-N 3.26Å; L183-K185 PolarHBondContact O-N 2.99Å; L183-V188 HydrophobicContact CD2-CG2 3.77Å; L183-F203 HydrophobicContact CD1-CE2 4.18Å; L183-F203 HydrophobicContact CD2-CE2 3.93Å; L183-F203 HydrophobicContact CD2-CZ 4.47Å; L183-T206 HydrophobicContact CD1-CG2 4.17Å; L183-Q210 VanDerWaalsContact CG-OE1 3.3Å; L183-L217 HydrophobicContact CB-CD2 4.02Å
184	E	92.6	Very high	94.4	Very high	80 Å²	80	32.7 Å²	32.7	37%	0.374	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-15.5	174.3	80.6	-68.9	174	0	0	113.6	P182 V212	P182-E184 VanDerWaalsContact C-OE2 3.24Å; P182-E184 WeakPolarHBondContact CA-OE2 3.47Å; P182-E184 WeakPolarHBondContact CB-OE1 3.42Å; P182-E184 WeakPolarHBondContact CB-OE2 3.49Å; P182-E184 PolarHBondContact O-N 3.06Å; E184-V212 HydrophobicContact CB-CG1 3.81Å; E184-V212 HydrophobicContact CB-CG2 4.06Å
185	K	89.3	Confident	94.4	Very high	160 Å²	160	32.8 Å²	32.8	70%	0.696	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-21.5	179	-63	178.5	-173.8	171.3	0	113	P182 L183	P182-K185 HydrophobicContact CB-CB 4.49Å; P182-K185 HydrophobicContact CB-CD 4.42Å; P182-K185 HydrophobicContact CG-CB 4.35Å; P182-K185 HydrophobicContact CG-CD 4.35Å; P182-K185 PolarHBondContact O-N 3.1Å; L183-K185 VanDerWaalsContact C-N 3.26Å; L183-K185 PolarHBondContact O-N 2.99Å
186	M	89.2	Confident	94.5	Very high	22 Å²	22	30.1 Å²	30.1	11%	0.108	17%	0.173	C	C	.	.			trans	-98.2	132.2	-174.2	-65.2	-55.4	-62.2	0	0	112	I131 L138 I181 P182 V188 T218	I131-M186 HydrophobicContact CD1-CE 3.72Å; I131-M186 HydrophobicContact CD1-SD 4.37Å; I131-M186 HydrophobicContact CG1-CE 3.85Å; L138-M186 HydrophobicContact CD1-CE 4.24Å; L138-M186 HydrophobicContact CG-CE 3.88Å; I181-M186 HydrophobicContact CG2-CB 4.35Å; I181-M186 HydrophobicContact CG2-CG 3.79Å; P182-M186 WeakPolarHBondContact O-CG 3.4Å; P182-M186 PolarHBondContact O-N 3.35Å; P182-M186 VanDerWaalsContact O-N 3.12Å; M186-V188 HydrophobicContact CB-CG2 4.49Å; M186-T218 PolarHBondContact O-OG1 3.22Å
187	S	90.9	Very high	94.6	Very high	31 Å²	31	26.9 Å²	26.9	22%	0.217	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	109.2	169	177.2	0	0	0	0	110.1	R112 L138 T218	R112-S187 PolarHBondContact NH1-O 3.4Å; R112-S187 PolarHBondContact NH2-OG 3.23Å; L138-S187 PolarHBondContact N-O 2.78Å; S187-T218 WeakPolarHBondContact CA-O 3.28Å; S187-T218 WeakPolarHBondContact CA-OG1 3.45Å
188	V	92.6	Very high	94.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	118.2	-176.6	-176.8	0	0	0	0	110.7	V140 F178 L183 M186 M190 F203 T218 G219 T220	V140-V188 HydrophobicContact CG2-CG1 4.19Å; F178-V188 HydrophobicContact CE1-CG1 3.99Å; F178-V188 HydrophobicContact CE1-CG2 4.09Å; F178-V188 HydrophobicContact CZ-CG1 3.62Å; F178-V188 HydrophobicContact CZ-CG2 4.37Å; L183-V188 HydrophobicContact CD2-CG2 3.77Å; M186-V188 HydrophobicContact CB-CG2 4.49Å; V188-M190 HydrophobicContact CG1-CG 4.07Å; V188-F203 HydrophobicContact CB-CE2 4Å; V188-F203 HydrophobicContact CB-CZ 4.11Å; V188-F203 HydrophobicContact CG1-CE2 4.07Å; V188-F203 HydrophobicContact CG2-CE2 4.11Å; V188-F203 HydrophobicContact CG2-CZ 4.37Å; V188-T218 PolarHBondContact N-O 3.33Å; V188-T218 VanDerWaalsContact N-O 3.11Å; V188-G219 CarbonylContact O-C 3.58Å; V188-G219 WeakPolarHBondContact O-CA 3.39Å; V188-T220 PolarHBondContact O-N 3.38Å
189	S	92.8	Very high	94.8	Very high	16 Å²	16	26.9 Å²	26.9	11%	0.112	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	136.8	168.9	-174	0	0	0	0	109.5	L138 S139 V140 T220	L138-S189 PolarHBondContact O-N 2.87Å; S139-S189 CarbonylContact C-O 3.59Å; S139-S189 VanDerWaalsContact CA-O 3.24Å; S139-S189 WeakPolarHBondContact CA-O 3.37Å; S139-S189 WeakPolarHBondContact OG-CB 2.92Å; V140-S189 PolarHBondContact N-O 3.11Å; S189-T220 CarbonylContact C-O 3.57Å; S189-T220 VanDerWaalsContact CA-O 3.29Å; S189-T220 WeakPolarHBondContact CA-O 3.28Å
190	M	95.1	Very high	94.9	Very high	1 Å²	1	22 Å²	22	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	114.7	179.7	-71.3	-178.5	-73.9	0	0	108.7	V140 F142 V188 M192 V199 L200 F203 T220 I221 Q222 F260	V140-M190 HydrophobicContact CB-CG 4.48Å; F142-M190 HydrophobicContact CE2-CB 4Å; F142-M190 HydrophobicContact CE2-CG 4.33Å; F142-M190 HydrophobicContact CZ-CB 4.29Å; F142-M190 HydrophobicContact CZ-CG 4.15Å; F142-M190 HydrophobicContact CZ-SD 4.35Å; V188-M190 HydrophobicContact CG1-CG 4.07Å; M190-M192 VanDerWaalsContact C-N 3.34Å; M190-M192 PolarHBondContact O-N 3.44Å; M190-M192 VanDerWaalsContact O-N 3.08Å; M190-V199 HydrophobicContact SD-CG1 4.49Å; M190-L200 HydrophobicContact CE-CD1 4.07Å; M190-F203 HydrophobicContact CE-CB 3.8Å; M190-F203 HydrophobicContact CE-CD1 3.54Å; M190-F203 HydrophobicContact CE-CD2 3.95Å; M190-F203 HydrophobicContact CE-CE1 4.07Å; M190-F203 HydrophobicContact CE-CE2 4.44Å; M190-F203 HydrophobicContact CE-CG 3.47Å; M190-F203 VanDerWaalsContact CE-CG 3.47Å; M190-F203 HydrophobicContact CE-CZ 4.49Å; M190-F203 HydrophobicContact SD-CB 3.89Å; M190-F203 HydrophobicContact SD-CD2 4.01Å; M190-F203 HydrophobicContact SD-CG 3.9Å; M190-T220 PolarHBondContact N-O 2.94Å; M190-I221 HydrophobicContact CB-CD1 3.55Å; M190-I221 HydrophobicContact CE-CD1 4.18Å; M190-Q222 PolarHBondContact O-N 2.63Å; M190-F260 HydrophobicContact CE-CE2 4.25Å; M190-F260 HydrophobicContact CE-CZ 3.78Å
191	T	93	Very high	95.1	Very high	15 Å²	15	19.1 Å²	19.1	9%	0.092	10%	0.1	C	C	.	.			trans	-84.2	82.7	176.6	-62.5	0	0	0	0	108.6	Y114 V140 H147	Y114-T191 HydrophobicContact CE2-CG2 4.29Å; Y114-T191 WeakPolarHBondContact CE2-OG1 3.15Å; Y114-T191 VanDerWaalsContact OH-CB 3.3Å; Y114-T191 WeakPolarHBondContact OH-CB 3.43Å; Y114-T191 WeakPolarHBondContact OH-CG2 3.26Å; V140-T191 PolarHBondContact O-N 3.02Å; H147-T191 PolarHBondContact CE1-O 3.36Å; H147-T191 PolarHBondContact NE2-O 2.79Å
192	M	96.9	Very high	95.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.			trans	-139.8	140.7	-180	179.6	56.8	58.8	0	0	110.5	F142 T146 H147 M190 A195 V196 V199 I221 N223	F142-M192 HydrophobicContact CB-CE 3.56Å; F142-M192 HydrophobicContact CD1-CE 4.3Å; F142-M192 HydrophobicContact CD2-CB 4.14Å; F142-M192 HydrophobicContact CD2-CE 3.44Å; F142-M192 VanDerWaalsContact CD2-CE 3.44Å; F142-M192 HydrophobicContact CE2-CB 4.03Å; F142-M192 HydrophobicContact CE2-CE 4.19Å; F142-M192 HydrophobicContact CG-CE 3.49Å; F142-M192 VanDerWaalsContact CG-CE 3.49Å; T146-M192 HydrophobicContact CG2-CE 3.89Å; H147-M192 HydrophobicContact CB-CE 4.38Å; M190-M192 VanDerWaalsContact C-N 3.34Å; M190-M192 PolarHBondContact O-N 3.44Å; M190-M192 VanDerWaalsContact O-N 3.08Å; M192-A195 HydrophobicContact SD-CB 4.04Å; M192-V196 HydrophobicContact CG-CB 4.46Å; M192-V199 HydrophobicContact CB-CG1 4.28Å; M192-V199 HydrophobicContact CE-CG2 4.05Å; M192-V199 HydrophobicContact CG-CB 3.91Å; M192-V199 HydrophobicContact CG-CG1 4.05Å; M192-V199 HydrophobicContact CG-CG2 3.99Å; M192-V199 HydrophobicContact SD-CG2 4.28Å; M192-I221 HydrophobicContact CB-CD1 3.87Å; M192-N223 PolarHBondContact O-N 3.17Å
193	N	97.6	Very high	95.6	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.011	8%	0.084	C	C	.	.	S	Bend	trans	-138.3	-61.6	-175.5	-49	-81.2	0	0	0	112.1	V196 Q222 N223 D224 K227 E228	N193-V196 VanDerWaalsContact O-CB 3.25Å; N193-V196 WeakPolarHBondContact O-CB 3.48Å; N193-V196 WeakPolarHBondContact O-CG1 3.25Å; N193-V196 PolarHBondContact O-N 2.89Å; N193-Q222 PolarHBondContact ND2-OE1 3.05Å; N193-Q222 WeakPolarHBondContact OD1-CB 3.27Å; N193-Q222 VanDerWaalsContact OD1-CG 3.32Å; N193-Q222 WeakPolarHBondContact OD1-CG 3.36Å; N193-Q222 PolarHBondContact OD1-OE1 2.8Å; N193-N223 PolarHBondContact OD1-N 2.84Å; N193-N223 VanDerWaalsContact OD1-N 3.15Å; N193-D224 PolarHBondContact OD1-N 3.43Å; N193-D224 PolarHBondContact OD1-O 2.92Å; N193-K227 PolarHBondContact ND2-NZ 3.21Å; N193-K227 VanDerWaalsContact ND2-NZ 3.2Å; N193-K227 PolarHBondContact OD1-NZ 2.77Å; N193-E228 HydrophobicContact CB-CG 3.81Å; N193-E228 WeakPolarHBondContact CB-OE1 3.34Å; N193-E228 PolarHBondContact ND2-OE1 2.83Å
194	G	96.8	Very high	95.8	Very high	7 Å²	7	16.5 Å²	16.5	7%	0.072	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-63.8	-178.7	0	0	0	0	0	112.6	H147 V196 T234	H147-G194 WeakPolarHBondContact O-CA 3.49Å; G194-V196 PolarHBondContact O-N 3.23Å; G194-T234 VanDerWaalsContact CA-O 3.27Å; G194-T234 WeakPolarHBondContact CA-O 3.44Å
195	A	98.1	Very high	96.1	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.008	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	36	176.9	0	0	0	0	0	113.3	T146 H147 M192 I197 P198 V199 I236 V568	T146-A195 WeakPolarHBondContact O-CB 3.35Å; H147-A195 PolarHBondContact O-N 2.76Å; M192-A195 HydrophobicContact SD-CB 4.04Å; A195-I197 VanDerWaalsContact C-N 3.3Å; A195-I197 PolarHBondContact O-N 3.03Å; A195-P198 HydrophobicContact CB-CG 4.03Å; A195-P198 VanDerWaalsContact O-CD 3.26Å; A195-P198 WeakPolarHBondContact O-CD 3.5Å; A195-P198 WeakPolarHBondContact O-CG 3.33Å; A195-V199 HydrophobicContact CB-CG2 4.42Å; A195-V199 WeakPolarHBondContact O-CB 3.22Å; A195-V199 VanDerWaalsContact O-CG2 3.32Å; A195-V199 WeakPolarHBondContact O-CG2 3.45Å; A195-V199 PolarHBondContact O-N 3.31Å; A195-I236 HydrophobicContact CB-CD1 4.15Å; A195-V568 HydrophobicContact CB-CG1 4.17Å
196	V	98.2	Very high	96.5	Very high	6 Å²	6	5.1 Å²	5.1	4%	0.036	3%	0.033	C	C	.	.	H	α-helix	trans	-60.7	-37.1	-175.2	62.8	0	0	0	0	113.4	M192 N193 G194 L200 I221 N223 I249	M192-V196 HydrophobicContact CG-CB 4.46Å; N193-V196 VanDerWaalsContact O-CB 3.25Å; N193-V196 WeakPolarHBondContact O-CB 3.48Å; N193-V196 WeakPolarHBondContact O-CG1 3.25Å; N193-V196 PolarHBondContact O-N 2.89Å; G194-V196 PolarHBondContact O-N 3.23Å; V196-L200 WeakPolarHBondContact O-CB 3.48Å; V196-L200 PolarHBondContact O-N 3.42Å; V196-I221 HydrophobicContact CG2-CD1 4.22Å; V196-I221 HydrophobicContact CG2-CG1 3.59Å; V196-N223 HydrophobicContact CG2-CB 4.06Å; V196-I249 HydrophobicContact CB-CD1 4.33Å; V196-I249 HydrophobicContact CG1-CD1 3.64Å; V196-I249 HydrophobicContact CG2-CD1 3.76Å
197	I	98.5	Very high	96.9	Very high	4 Å²	4	4.1 Å²	4.1	2%	0.021	3%	0.028	C	C	.	.	H	α-helix	trans	-62	-58.6	-178.6	-66.8	-68.5	0	0	0	111.8	A195 A201 A245 I249 L554 L555 A558 I571 M575	A195-I197 VanDerWaalsContact C-N 3.3Å; A195-I197 PolarHBondContact O-N 3.03Å; I197-A201 VanDerWaalsContact O-CB 3.28Å; I197-A201 WeakPolarHBondContact O-CB 3.46Å; I197-A201 PolarHBondContact O-N 3.37Å; I197-A245 HydrophobicContact CD1-CB 4.34Å; I197-A245 HydrophobicContact CG1-CB 4.23Å; I197-I249 HydrophobicContact CD1-CD1 3.84Å; I197-I249 HydrophobicContact CD1-CG1 3.77Å; I197-L554 HydrophobicContact CD1-CB 4.2Å; I197-L555 HydrophobicContact CD1-CB 4.22Å; I197-A558 HydrophobicContact CG2-CB 3.33Å; I197-I571 HydrophobicContact CG2-CG2 4.39Å; I197-M575 HydrophobicContact CB-CE 4.08Å; I197-M575 HydrophobicContact CB-SD 4.48Å; I197-M575 HydrophobicContact CG1-SD 4.41Å; I197-M575 HydrophobicContact CG2-CE 4.11Å; I197-M575 HydrophobicContact CG2-SD 4.34Å
198	P	98.4	Very high	97.2	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-64.9	-40.6	179.2	22.8	-32.9	0	0	0	112.9	A195 A201 M202 V568 I571	A195-P198 HydrophobicContact CB-CG 4.03Å; A195-P198 VanDerWaalsContact O-CD 3.26Å; A195-P198 WeakPolarHBondContact O-CD 3.5Å; A195-P198 WeakPolarHBondContact O-CG 3.33Å; P198-A201 WeakPolarHBondContact O-CB 3.28Å; P198-A201 PolarHBondContact O-N 3.09Å; P198-M202 HydrophobicContact CB-CE 4.44Å; P198-M202 VanDerWaalsContact O-CG 3.26Å; P198-M202 WeakPolarHBondContact O-CG 3.46Å; P198-M202 PolarHBondContact O-N 2.92Å; P198-V568 HydrophobicContact CB-CB 4.48Å; P198-V568 HydrophobicContact CB-CG1 4.5Å; P198-V568 HydrophobicContact CB-CG2 4.27Å; P198-V568 HydrophobicContact CG-CG1 4.09Å; P198-I571 HydrophobicContact CB-CB 4.03Å; P198-I571 HydrophobicContact CB-CD1 3.98Å; P198-I571 HydrophobicContact CB-CG2 3.84Å; P198-I571 HydrophobicContact CG-CG2 4.22Å
199	V	98.5	Very high	97.5	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-66	-44.2	-177.4	172.4	0	0	0	0	111.6	F142 T146 M174 M190 M192 A195 A201 M202 F203	F142-V199 HydrophobicContact CE1-CG1 4Å; F142-V199 HydrophobicContact CE2-CG1 4.15Å; F142-V199 HydrophobicContact CZ-CG1 3.64Å; T146-V199 HydrophobicContact CG2-CG2 3.91Å; M174-V199 HydrophobicContact CE-CG1 4.06Å; M190-V199 HydrophobicContact SD-CG1 4.49Å; M192-V199 HydrophobicContact CB-CG1 4.28Å; M192-V199 HydrophobicContact CE-CG2 4.05Å; M192-V199 HydrophobicContact CG-CB 3.91Å; M192-V199 HydrophobicContact CG-CG1 4.05Å; M192-V199 HydrophobicContact CG-CG2 3.99Å; M192-V199 HydrophobicContact SD-CG2 4.28Å; A195-V199 HydrophobicContact CB-CG2 4.42Å; A195-V199 WeakPolarHBondContact O-CB 3.22Å; A195-V199 VanDerWaalsContact O-CG2 3.32Å; A195-V199 WeakPolarHBondContact O-CG2 3.45Å; A195-V199 PolarHBondContact O-N 3.31Å; V199-A201 VanDerWaalsContact C-N 3.35Å; V199-M202 PolarHBondContact O-N 3.23Å; V199-F203 PolarHBondContact O-N 3.13Å
200	L	98.4	Very high	97.7	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-67.1	-37.6	176.6	-177	58	0	0	0	111.5	M190 V196 F203 I204 I221 I249 F260 L555	M190-L200 HydrophobicContact CE-CD1 4.07Å; V196-L200 WeakPolarHBondContact O-CB 3.48Å; V196-L200 PolarHBondContact O-N 3.42Å; L200-F203 HydrophobicContact CD1-CD1 4.29Å; L200-F203 PolarHBondContact O-N 3.36Å; L200-I204 HydrophobicContact CD1-CD1 4.47Å; L200-I204 HydrophobicContact CG-CD1 4.1Å; L200-I204 WeakPolarHBondContact O-CD1 3.41Å; L200-I204 VanDerWaalsContact O-CG1 3.28Å; L200-I204 WeakPolarHBondContact O-CG1 3.47Å; L200-I204 PolarHBondContact O-N 2.83Å; L200-I221 HydrophobicContact CD2-CG2 4.48Å; L200-I249 HydrophobicContact CD2-CG2 3.96Å; L200-F260 HydrophobicContact CD1-CE1 3.89Å; L200-F260 HydrophobicContact CD1-CZ 3.88Å; L200-L555 HydrophobicContact CB-CD1 4.16Å; L200-L555 HydrophobicContact CD2-CD1 4.18Å; L200-L555 HydrophobicContact CD2-CD2 3.64Å; L200-L555 HydrophobicContact CG-CD1 4.12Å; L200-L555 HydrophobicContact CG-CD2 4.24Å
201	A	98.7	Very high	97.8	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.6	-45.8	173.7	0	0	0	0	0	112	I197 P198 V199 F203 I204 V205 L555 A558 V559 A562	I197-A201 VanDerWaalsContact O-CB 3.28Å; I197-A201 WeakPolarHBondContact O-CB 3.46Å; I197-A201 PolarHBondContact O-N 3.37Å; P198-A201 WeakPolarHBondContact O-CB 3.28Å; P198-A201 PolarHBondContact O-N 3.09Å; V199-A201 VanDerWaalsContact C-N 3.35Å; A201-F203 VanDerWaalsContact C-N 3.35Å; A201-F203 PolarHBondContact O-N 2.83Å; A201-I204 PolarHBondContact O-N 3.16Å; A201-V205 WeakPolarHBondContact O-CG2 3.42Å; A201-V205 PolarHBondContact O-N 2.7Å; A201-L555 HydrophobicContact CB-CD1 4.26Å; A201-A558 VanDerWaalsContact CB-C 3.47Å; A201-A558 HydrophobicContact CB-CB 3.84Å; A201-A558 WeakPolarHBondContact CB-O 3.46Å; A201-V559 HydrophobicContact CB-CG2 3.96Å; A201-A562 HydrophobicContact CB-CB 4.05Å
202	M	98.6	Very high	98	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64	-38	177.3	-69.4	172	-173.7	0	0	112.4	I168 V171 M174 P198 V199 T206 A562 V568	I168-M202 HydrophobicContact CG2-SD 3.85Å; V171-M202 HydrophobicContact CB-CB 4.49Å; V171-M202 HydrophobicContact CB-CG 4.2Å; M174-M202 HydrophobicContact CB-CB 4.2Å; M174-M202 HydrophobicContact CE-CB 4.28Å; M174-M202 HydrophobicContact CG-CB 4.37Å; P198-M202 HydrophobicContact CB-CE 4.44Å; P198-M202 VanDerWaalsContact O-CG 3.26Å; P198-M202 WeakPolarHBondContact O-CG 3.46Å; P198-M202 PolarHBondContact O-N 2.92Å; V199-M202 PolarHBondContact O-N 3.23Å; M202-T206 WeakPolarHBondContact O-CB 3.32Å; M202-T206 PolarHBondContact O-N 3.43Å; M202-T206 PolarHBondContact O-OG1 3.26Å; M202-A562 HydrophobicContact CG-CB 4Å; M202-V568 HydrophobicContact CE-CB 4.43Å; M202-V568 HydrophobicContact CE-CG2 3.53Å; M202-V568 HydrophobicContact SD-CG2 3.77Å
203	F	98.4	Very high	97.9	Very high	1 Å²	1	16.7 Å²	16.7	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-62.2	-44.2	173	175.7	-106.1	0	0	0	112	F178 L183 V188 M190 V199 L200 A201 T206 G207 L217 F260	F178-F203 HydrophobicContact CD2-CD2 4.48Å; F178-F203 AromaticContact CE2-CD2 3.84Å; F178-F203 HydrophobicContact CE2-CD2 3.84Å; F178-F203 HydrophobicContact CE2-CE2 4.14Å; F178-F203 HydrophobicContact CZ-CD2 4.41Å; F178-F203 HydrophobicContact CZ-CE2 4.38Å; L183-F203 HydrophobicContact CD1-CE2 4.18Å; L183-F203 HydrophobicContact CD2-CE2 3.93Å; L183-F203 HydrophobicContact CD2-CZ 4.47Å; V188-F203 HydrophobicContact CB-CE2 4Å; V188-F203 HydrophobicContact CB-CZ 4.11Å; V188-F203 HydrophobicContact CG1-CE2 4.07Å; V188-F203 HydrophobicContact CG2-CE2 4.11Å; V188-F203 HydrophobicContact CG2-CZ 4.37Å; M190-F203 HydrophobicContact CE-CB 3.8Å; M190-F203 HydrophobicContact CE-CD1 3.54Å; M190-F203 HydrophobicContact CE-CD2 3.95Å; M190-F203 HydrophobicContact CE-CE1 4.07Å; M190-F203 HydrophobicContact CE-CE2 4.44Å; M190-F203 HydrophobicContact CE-CG 3.47Å; M190-F203 VanDerWaalsContact CE-CG 3.47Å; M190-F203 HydrophobicContact CE-CZ 4.49Å; M190-F203 HydrophobicContact SD-CB 3.89Å; M190-F203 HydrophobicContact SD-CD2 4.01Å; M190-F203 HydrophobicContact SD-CG 3.9Å; V199-F203 PolarHBondContact O-N 3.13Å; L200-F203 HydrophobicContact CD1-CD1 4.29Å; L200-F203 PolarHBondContact O-N 3.36Å; A201-F203 VanDerWaalsContact C-N 3.35Å; A201-F203 PolarHBondContact O-N 2.83Å; F203-T206 PolarHBondContact O-N 3.31Å; F203-G207 PolarHBondContact O-N 2.95Å; F203-L217 HydrophobicContact CE1-CB 4.33Å; F203-L217 HydrophobicContact CE1-CD1 4.15Å; F203-L217 HydrophobicContact CE1-CD2 4.41Å; F203-L217 HydrophobicContact CZ-CD2 4.33Å; F203-F260 HydrophobicContact CD1-CE2 4.33Å; F203-F260 HydrophobicContact CE1-CD2 4.35Å; F203-F260 AromaticContact CE1-CE2 3.72Å; F203-F260 HydrophobicContact CE1-CE2 3.72Å; F203-F260 HydrophobicContact CE1-CZ 4.47Å; F203-F260 HydrophobicContact CZ-CE2 4.45Å
204	I	98.5	Very high	97.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.1	-50.1	177.2	-69.9	161.3	0	0	0	110.7	L200 A201 T206 G207 E208 K214 Y252 M257 L555 V559	L200-I204 HydrophobicContact CD1-CD1 4.47Å; L200-I204 HydrophobicContact CG-CD1 4.1Å; L200-I204 WeakPolarHBondContact O-CD1 3.41Å; L200-I204 VanDerWaalsContact O-CG1 3.28Å; L200-I204 WeakPolarHBondContact O-CG1 3.47Å; L200-I204 PolarHBondContact O-N 2.83Å; A201-I204 PolarHBondContact O-N 3.16Å; I204-T206 VanDerWaalsContact C-N 3.3Å; I204-T206 PolarHBondContact O-N 2.94Å; I204-G207 PolarHBondContact O-N 3.08Å; I204-G207 VanDerWaalsContact O-N 3.13Å; I204-E208 WeakPolarHBondContact O-CG 3.47Å; I204-E208 PolarHBondContact O-N 2.98Å; I204-K214 HydrophobicContact CG2-CD 3.72Å; I204-K214 HydrophobicContact CG2-CG 4.05Å; I204-Y252 HydrophobicContact CD1-CE1 3.8Å; I204-M257 HydrophobicContact CD1-SD 3.75Å; I204-M257 HydrophobicContact CG1-CE 4.12Å; I204-M257 HydrophobicContact CG1-SD 3.8Å; I204-L555 HydrophobicContact CD1-CD1 4.37Å; I204-L555 HydrophobicContact CD1-CD2 4.33Å; I204-L555 HydrophobicContact CD1-CG 4.5Å; I204-V559 HydrophobicContact CB-CG2 4.22Å; I204-V559 HydrophobicContact CD1-CG2 3.9Å; I204-V559 HydrophobicContact CG2-CG1 4.28Å; I204-V559 HydrophobicContact CG2-CG2 4.07Å
205	V	98.6	Very high	97.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-36.9	-179.9	177.8	0	0	0	0	111.1	V171 A201 G207 E208 E209 V559 A562 R563	V171-V205 HydrophobicContact CG2-CB 3.89Å; V171-V205 HydrophobicContact CG2-CG1 3.73Å; A201-V205 WeakPolarHBondContact O-CG2 3.42Å; A201-V205 PolarHBondContact O-N 2.7Å; V205-G207 VanDerWaalsContact C-N 3.32Å; V205-G207 PolarHBondContact O-N 3.11Å; V205-E208 PolarHBondContact O-N 3.25Å; V205-E209 HydrophobicContact CG1-CG 4.25Å; V205-E209 WeakPolarHBondContact O-CG 3.04Å; V205-E209 PolarHBondContact O-N 3.05Å; V205-V559 HydrophobicContact CG2-CG1 3.95Å; V205-V559 WeakPolarHBondContact CG2-O 3.25Å; V205-A562 HydrophobicContact CG2-CB 4.03Å; V205-R563 HydrophobicContact CG1-CB 4.37Å; V205-R563 HydrophobicContact CG2-CB 4.29Å
206	T	98.4	Very high	97.6	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	16%	0.163	C	C	.	.	H	α-helix	trans	-59.9	-43.2	173.7	-59.6	0	0	0	0	111.4	M174 K175 F178 L183 M202 F203 I204 E209 Q210	M174-T206 WeakPolarHBondContact CB-OG1 3.31Å; M174-T206 VanDerWaalsContact CG-OG1 3.28Å; M174-T206 WeakPolarHBondContact CG-OG1 3.2Å; K175-T206 HydrophobicContact CG-CG2 4.05Å; F178-T206 HydrophobicContact CB-CG2 4.28Å; F178-T206 HydrophobicContact CD2-CG2 4.29Å; L183-T206 HydrophobicContact CD1-CG2 4.17Å; M202-T206 WeakPolarHBondContact O-CB 3.32Å; M202-T206 PolarHBondContact O-N 3.43Å; M202-T206 PolarHBondContact O-OG1 3.26Å; F203-T206 PolarHBondContact O-N 3.31Å; I204-T206 VanDerWaalsContact C-N 3.3Å; I204-T206 PolarHBondContact O-N 2.94Å; T206-E209 PolarHBondContact O-N 3.42Å; T206-Q210 WeakPolarHBondContact O-CG 3.37Å; T206-Q210 PolarHBondContact O-N 3.38Å; T206-Q210 VanDerWaalsContact O-N 3.08Å
207	G	97.6	Very high	97.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.9	-44.3	172.9	0	0	0	0	0	113.1	F203 I204 V205 E209 Q210 G211 V212	F203-G207 PolarHBondContact O-N 2.95Å; I204-G207 PolarHBondContact O-N 3.08Å; I204-G207 VanDerWaalsContact O-N 3.13Å; V205-G207 VanDerWaalsContact C-N 3.32Å; V205-G207 PolarHBondContact O-N 3.11Å; G207-E209 PolarHBondContact O-N 2.93Å; G207-Q210 PolarHBondContact O-N 3.13Å; G207-G211 PolarHBondContact O-N 3.21Å; G207-V212 WeakPolarHBondContact O-CA 3.3Å; G207-V212 WeakPolarHBondContact O-CB 3.48Å; G207-V212 PolarHBondContact O-N 3.4Å
208	E	97.9	Very high	97.1	Very high	53 Å²	53	30.8 Å²	30.8	25%	0.248	17%	0.17	C	C	.	.	H	α-helix	trans	-60.8	-43.5	176.8	-69.9	-178.9	160.8	0	0	111.8	I204 V205 Q210 G211 K214 R563	I204-E208 WeakPolarHBondContact O-CG 3.47Å; I204-E208 PolarHBondContact O-N 2.98Å; V205-E208 PolarHBondContact O-N 3.25Å; E208-Q210 VanDerWaalsContact C-N 3.29Å; E208-Q210 PolarHBondContact O-N 3.05Å; E208-G211 WeakPolarHBondContact O-CA 3.21Å; E208-G211 PolarHBondContact O-N 3.35Å; E208-K214 HydrophobicContact CG-CG 4.35Å; E208-K214 WeakPolarHBondContact OE1-CD 3.48Å; E208-K214 WeakPolarHBondContact OE1-CE 3.43Å; E208-K214 IonicContact OE1-NZ 2.71Å; E208-K214 PolarHBondContact OE1-NZ 3.46Å; E208-R563 IonicContact OE1-NH2 2.77Å; E208-R563 IonicContact OE2-CZ 3.64Å; E208-R563 IonicContact OE2-NE 3.7Å; E208-R563 IonicContact OE2-NH2 3.59Å; E208-R563 PolarHBondContact OE2-NH2 2.74Å
209	E	97.9	Very high	96.7	Very high	82 Å²	82	30.9 Å²	30.9	38%	0.383	17%	0.171	S	C	.	.	H	α-helix	trans	-71.6	-20.1	178.6	-69.5	-169.2	-173.3	0	0	113.3	K175 V205 T206 G207 G211 R565	K175-E209 WeakPolarHBondContact CD-OE2 3.25Å; K175-E209 WeakPolarHBondContact CE-OE2 3.45Å; K175-E209 IonicContact NZ-OE2 3.31Å; K175-E209 PolarHBondContact NZ-OE2 3.47Å; V205-E209 HydrophobicContact CG1-CG 4.25Å; V205-E209 WeakPolarHBondContact O-CG 3.04Å; V205-E209 PolarHBondContact O-N 3.05Å; T206-E209 PolarHBondContact O-N 3.42Å; G207-E209 PolarHBondContact O-N 2.93Å; E209-G211 VanDerWaalsContact C-N 3.26Å; E209-R565 IonicContact OE1-CZ 3.42Å; E209-R565 VanDerWaalsContact OE1-CZ 3.26Å; E209-R565 IonicContact OE1-NH1 2.87Å; E209-R565 PolarHBondContact OE1-NH1 2.94Å; E209-R565 IonicContact OE1-NH2 3.45Å; E209-R565 PolarHBondContact OE1-NH2 3.48Å; E209-R565 IonicContact OE2-NH2 3.75Å; E209-R565 PolarHBondContact OE2-NH2 3.34Å
210	Q	97.1	Very high	96.5	Very high	72 Å²	72	31.5 Å²	31.5	34%	0.336	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-4.7	166.2	-71.4	-174.9	1.8	0	0	113.3	F178 I181 L183 T206 G207 E208 V212	F178-Q210 PolarHBondContact O-NE2 3.47Å; I181-Q210 PolarHBondContact O-NE2 2.89Å; I181-Q210 PolarHBondContact O-OE1 2.85Å; L183-Q210 VanDerWaalsContact CG-OE1 3.3Å; T206-Q210 WeakPolarHBondContact O-CG 3.37Å; T206-Q210 PolarHBondContact O-N 3.38Å; T206-Q210 VanDerWaalsContact O-N 3.08Å; G207-Q210 PolarHBondContact O-N 3.13Å; E208-Q210 VanDerWaalsContact C-N 3.29Å; E208-Q210 PolarHBondContact O-N 3.05Å; Q210-V212 HydrophobicContact CB-CG2 4.08Å
211	G	97.1	Very high	96.3	Very high	69 Å²	69	31.5 Å²	31.5	71%	0.711	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	17.5	-174.1	0	0	0	0	0	114.1	G207 E208 E209	G207-G211 PolarHBondContact O-N 3.21Å; E208-G211 WeakPolarHBondContact O-CA 3.21Å; E208-G211 PolarHBondContact O-N 3.35Å; E209-G211 VanDerWaalsContact C-N 3.26Å
212	V	96.9	Very high	96.2	Very high	10 Å²	10	31.8 Å²	31.8	6%	0.061	18%	0.176	C	C	.	.			trans	-91.3	120.9	178.9	-176.5	0	0	0	0	110	E184 G207 Q210 K216 L217	E184-V212 HydrophobicContact CB-CG1 3.81Å; E184-V212 HydrophobicContact CB-CG2 4.06Å; G207-V212 WeakPolarHBondContact O-CA 3.3Å; G207-V212 WeakPolarHBondContact O-CB 3.48Å; G207-V212 PolarHBondContact O-N 3.4Å; Q210-V212 HydrophobicContact CB-CG2 4.08Å; V212-K216 HydrophobicContact CG1-CB 3.97Å; V212-L217 HydrophobicContact CB-CD2 4.48Å; V212-L217 HydrophobicContact CG1-CD2 3.89Å; V212-L217 HydrophobicContact CG1-CG 4.42Å
213	A	96.1	Very high	96.1	Very high	42 Å²	42	31.9 Å²	31.9	35%	0.347	18%	0.177	S	C	.	.			trans	-62.1	138.9	172.7	0	0	0	0	0	111.1	E215 K216	A213-E215 HydrophobicContact CB-CG 4.03Å; A213-E215 PolarHBondContact O-N 2.81Å; A213-E215 VanDerWaalsContact O-N 3.09Å; A213-K216 HydrophobicContact CB-CG 4.5Å; A213-K216 WeakPolarHBondContact O-CB 3.38Å; A213-K216 PolarHBondContact O-N 2.78Å
214	K	95.6	Very high	96.1	Very high	52 Å²	52	31.9 Å²	31.9	23%	0.226	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-52.3	-36.3	-177.3	-69	-175.3	-88.1	-138.3	0	113.7	I204 E208 K216 L217 H256 M257	I204-K214 HydrophobicContact CG2-CD 3.72Å; I204-K214 HydrophobicContact CG2-CG 4.05Å; E208-K214 HydrophobicContact CG-CG 4.35Å; E208-K214 WeakPolarHBondContact OE1-CD 3.48Å; E208-K214 WeakPolarHBondContact OE1-CE 3.43Å; E208-K214 IonicContact OE1-NZ 2.71Å; E208-K214 PolarHBondContact OE1-NZ 3.46Å; K214-K216 PolarHBondContact O-N 2.82Å; K214-L217 WeakPolarHBondContact O-CB 3.31Å; K214-L217 PolarHBondContact O-N 2.78Å; K214-H256 CarbonylContact C-O 3.38Å; K214-H256 WeakPolarHBondContact CB-O 3.42Å; K214-M257 HydrophobicContact CB-CG 4.18Å
215	E	94.7	Very high	96	Very high	116 Å²	116	32.2 Å²	32.2	54%	0.542	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-66.5	-17.9	177.2	65.8	-149.3	-145.2	0	0	115.3	A213 H256 P258	A213-E215 HydrophobicContact CB-CG 4.03Å; A213-E215 PolarHBondContact O-N 2.81Å; A213-E215 VanDerWaalsContact O-N 3.09Å; E215-H256 PolarHBondContact N-O 2.9Å; E215-P258 HydrophobicContact CB-CG 3.97Å
216	K	94.6	Very high	95.9	Very high	112 Å²	112	32.3 Å²	32.3	49%	0.487	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-90.9	-14.6	176.3	-65.2	-174.5	-179.9	177.3	0	112.9	V212 A213 K214 T218	V212-K216 HydrophobicContact CG1-CB 3.97Å; A213-K216 HydrophobicContact CB-CG 4.5Å; A213-K216 WeakPolarHBondContact O-CB 3.38Å; A213-K216 PolarHBondContact O-N 2.78Å; K214-K216 PolarHBondContact O-N 2.82Å; K216-T218 PolarHBondContact O-N 2.89Å
217	L	94.4	Very high	95.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.178	C	C	.	.			trans	-65.3	126.4	176.7	-63.5	175.5	0	0	0	109.7	L183 F203 V212 K214 M257	L183-L217 HydrophobicContact CB-CD2 4.02Å; F203-L217 HydrophobicContact CE1-CB 4.33Å; F203-L217 HydrophobicContact CE1-CD1 4.15Å; F203-L217 HydrophobicContact CE1-CD2 4.41Å; F203-L217 HydrophobicContact CZ-CD2 4.33Å; V212-L217 HydrophobicContact CB-CD2 4.48Å; V212-L217 HydrophobicContact CG1-CD2 3.89Å; V212-L217 HydrophobicContact CG1-CG 4.42Å; K214-L217 WeakPolarHBondContact O-CB 3.31Å; K214-L217 PolarHBondContact O-N 2.78Å; L217-M257 HydrophobicContact CB-CE 4.09Å; L217-M257 HydrophobicContact CD1-CE 4.03Å
218	T	92.2	Very high	95.8	Very high	36 Å²	36	32.2 Å²	32.2	22%	0.221	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143.2	177.7	68.1	0	0	0	0	109.6	M186 S187 V188 K216 K259	M186-T218 PolarHBondContact O-OG1 3.22Å; S187-T218 WeakPolarHBondContact CA-O 3.28Å; S187-T218 WeakPolarHBondContact CA-OG1 3.45Å; V188-T218 PolarHBondContact N-O 3.33Å; V188-T218 VanDerWaalsContact N-O 3.11Å; K216-T218 PolarHBondContact O-N 2.89Å; T218-K259 HydrophobicContact CG2-CB 3.9Å; T218-K259 HydrophobicContact CG2-CD 4.06Å
219	G	90.8	Very high	95.6	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.7	-171.2	-172.8	0	0	0	0	0	113.6	V188 N261	V188-G219 CarbonylContact O-C 3.58Å; V188-G219 WeakPolarHBondContact O-CA 3.39Å; G219-N261 PolarHBondContact O-N 2.94Å; G219-N261 PolarHBondContact O-ND2 2.83Å
220	T	93.1	Very high	95.5	Very high	13 Å²	13	26.8 Å²	26.8	8%	0.08	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	135.2	176.2	-57.5	0	0	0	0	108.8	V188 S189 M190 N261	V188-T220 PolarHBondContact O-N 3.38Å; S189-T220 CarbonylContact C-O 3.57Å; S189-T220 VanDerWaalsContact CA-O 3.29Å; S189-T220 WeakPolarHBondContact CA-O 3.28Å; M190-T220 PolarHBondContact N-O 2.94Å; T220-N261 WeakPolarHBondContact CA-O 3.46Å; T220-N261 HydrophobicContact CG2-CB 3.94Å; T220-N261 WeakPolarHBondContact OG1-CB 3.47Å; T220-N261 PolarHBondContact OG1-ND2 3Å
221	I	95.8	Very high	95.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137	163.3	-170	68.6	0	0	0	107.7	M190 M192 V196 L200 N223 F260 N261 S262 I263 S264	M190-I221 HydrophobicContact CB-CD1 3.55Å; M190-I221 HydrophobicContact CE-CD1 4.18Å; M192-I221 HydrophobicContact CB-CD1 3.87Å; V196-I221 HydrophobicContact CG2-CD1 4.22Å; V196-I221 HydrophobicContact CG2-CG1 3.59Å; L200-I221 HydrophobicContact CD2-CG2 4.48Å; I221-N223 HydrophobicContact CG1-CB 4.3Å; I221-N223 HydrophobicContact CG2-CB 3.9Å; I221-F260 HydrophobicContact CB-CE1 3.77Å; I221-F260 HydrophobicContact CB-CZ 4.03Å; I221-F260 HydrophobicContact CG2-CE1 3.66Å; I221-F260 HydrophobicContact CG2-CZ 4.41Å; I221-N261 PolarHBondContact N-O 3.12Å; I221-N261 VanDerWaalsContact N-O 3.07Å; I221-S262 WeakPolarHBondContact CG2-O 3.22Å; I221-I263 CarbonylContact O-C 3.3Å; I221-I263 WeakPolarHBondContact O-CA 3.37Å; I221-S264 PolarHBondContact O-N 2.94Å
222	Q	96.2	Very high	95.3	Very high	7 Å²	7	22.9 Å²	22.9	3%	0.033	12%	0.115	C	C	.	.			trans	-63.9	-52.9	-176.3	-170.4	175.3	85.9	0	0	111.7	M190 N193 D224 I263 S264 H269	M190-Q222 PolarHBondContact O-N 2.63Å; N193-Q222 PolarHBondContact ND2-OE1 3.05Å; N193-Q222 WeakPolarHBondContact OD1-CB 3.27Å; N193-Q222 VanDerWaalsContact OD1-CG 3.32Å; N193-Q222 WeakPolarHBondContact OD1-CG 3.36Å; N193-Q222 PolarHBondContact OD1-OE1 2.8Å; Q222-D224 PolarHBondContact O-N 3.28Å; Q222-I263 WeakPolarHBondContact O-CG1 3.31Å; Q222-S264 PolarHBondContact O-N 3.01Å; Q222-H269 PolarHBondContact NE2-CE1 3.18Å; Q222-H269 VanDerWaalsContact NE2-CE1 3.28Å
223	N	97	Very high	95.3	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.011	11%	0.112	C	C	.	.			trans	48	32.1	167.2	-165.5	33.6	0	0	0	115.3	M192 N193 V196 I221 I246 I249 S262 I263	M192-N223 PolarHBondContact O-N 3.17Å; N193-N223 PolarHBondContact OD1-N 2.84Å; N193-N223 VanDerWaalsContact OD1-N 3.15Å; V196-N223 HydrophobicContact CG2-CB 4.06Å; I221-N223 HydrophobicContact CG1-CB 4.3Å; I221-N223 HydrophobicContact CG2-CB 3.9Å; N223-I246 WeakPolarHBondContact OD1-CG1 3.49Å; N223-I249 WeakPolarHBondContact OD1-CD1 3.36Å; N223-S262 WeakPolarHBondContact CB-O 3.26Å; N223-S262 PolarHBondContact ND2-O 2.94Å; N223-I263 HydrophobicContact CB-CG1 4.5Å; N223-I263 VanDerWaalsContact O-CD1 3.25Å; N223-I263 WeakPolarHBondContact O-CD1 3.3Å; N223-I263 WeakPolarHBondContact O-CG1 3.29Å
224	D	97.3	Very high	95.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.097	C	C	.	.			trans	-109.5	95.6	-179.8	-178.1	-13.4	0	0	0	108.2	N193 Q222 L226 K227 I263 I265 S266 Y291	N193-D224 PolarHBondContact OD1-N 3.43Å; N193-D224 PolarHBondContact OD1-O 2.92Å; Q222-D224 PolarHBondContact O-N 3.28Å; D224-L226 PolarHBondContact OD1-N 3.46Å; D224-K227 HydrophobicContact CB-CG 3.99Å; D224-K227 WeakPolarHBondContact O-CG 3.35Å; D224-K227 PolarHBondContact O-NZ 2.94Å; D224-K227 WeakPolarHBondContact OD1-CG 3.39Å; D224-K227 PolarHBondContact OD1-N 3.21Å; D224-I263 HydrophobicContact CB-CG1 4.44Å; D224-I265 WeakPolarHBondContact OD2-CA 3.07Å; D224-S266 PolarHBondContact OD2-N 2.8Å; D224-Y291 WeakPolarHBondContact CA-OH 3.24Å; D224-Y291 WeakPolarHBondContact OD1-CE2 3.3Å; D224-Y291 PolarHBondContact OD1-OH 3.24Å
225	I	97.1	Very high	95.4	Very high	8 Å²	8	18.5 Å²	18.5	4%	0.041	9%	0.087	C	C	.	.			trans	-83.3	-28.3	-176.1	-156.6	81.8	0	0	0	113.1	K227 E228 F229 M243 I246 Y291	I225-K227 VanDerWaalsContact C-N 3.3Å; I225-K227 PolarHBondContact O-N 3.21Å; I225-E228 HydrophobicContact CD1-CB 4.3Å; I225-E228 HydrophobicContact CD1-CG 3.99Å; I225-E228 HydrophobicContact CG1-CB 4.45Å; I225-E228 HydrophobicContact CG1-CG 4.46Å; I225-E228 WeakPolarHBondContact O-CA 3.3Å; I225-E228 VanDerWaalsContact O-CB 3.22Å; I225-E228 WeakPolarHBondContact O-CB 3.46Å; I225-E228 PolarHBondContact O-N 3.48Å; I225-F229 HydrophobicContact CB-CE2 4.33Å; I225-F229 HydrophobicContact CG1-CD2 4.31Å; I225-F229 HydrophobicContact CG1-CE2 3.54Å; I225-F229 HydrophobicContact CG1-CZ 3.91Å; I225-F229 HydrophobicContact CG2-CE2 4.09Å; I225-F229 WeakPolarHBondContact O-CD2 3.29Å; I225-F229 PolarHBondContact O-N 3Å; I225-M243 HydrophobicContact CG2-SD 3.76Å; I225-I246 HydrophobicContact CB-CD1 4Å; I225-I246 HydrophobicContact CG2-CD1 3.53Å; I225-Y291 PolarHBondContact N-OH 3.17Å
226	L	96.4	Very high	95.5	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	6%	0.062	C	C	.	.	H	α-helix	trans	-60	-41.8	-177.9	-68.8	176.2	0	0	0	111.4	D224 E228 F229 M230 M243 N287 E290 Y291 A462	D224-L226 PolarHBondContact OD1-N 3.46Å; L226-E228 VanDerWaalsContact C-N 3.29Å; L226-E228 PolarHBondContact O-N 3.4Å; L226-F229 PolarHBondContact O-N 3.48Å; L226-M230 WeakPolarHBondContact O-CG 3.25Å; L226-M230 PolarHBondContact O-N 3.05Å; L226-M243 HydrophobicContact CD1-SD 4.48Å; L226-M243 HydrophobicContact CD2-SD 4Å; L226-M243 HydrophobicContact CG-SD 4.03Å; L226-N287 WeakPolarHBondContact CB-OD1 3.32Å; L226-N287 HydrophobicContact CD1-CB 4.22Å; L226-E290 HydrophobicContact CD1-CB 3.98Å; L226-E290 HydrophobicContact CD1-CG 4.15Å; L226-Y291 WeakPolarHBondContact CB-OH 3.33Å; L226-Y291 HydrophobicContact CD1-CE1 4.14Å; L226-Y291 HydrophobicContact CD1-CE2 4.25Å; L226-Y291 HydrophobicContact CG-CE1 4.25Å; L226-Y291 WeakPolarHBondContact CG-OH 3.23Å; L226-Y291 PolarHBondContact N-OH 3.3Å; L226-A462 HydrophobicContact CD2-CB 4.22Å
227	K	96.9	Very high	95.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-69.5	-20.5	173.1	63.9	115.3	172.8	70.9	0	114.7	N193 D224 I225 M230 V231 R232 H269 L270	N193-K227 PolarHBondContact ND2-NZ 3.21Å; N193-K227 VanDerWaalsContact ND2-NZ 3.2Å; N193-K227 PolarHBondContact OD1-NZ 2.77Å; D224-K227 HydrophobicContact CB-CG 3.99Å; D224-K227 WeakPolarHBondContact O-CG 3.35Å; D224-K227 PolarHBondContact O-NZ 2.94Å; D224-K227 WeakPolarHBondContact OD1-CG 3.39Å; D224-K227 PolarHBondContact OD1-N 3.21Å; I225-K227 VanDerWaalsContact C-N 3.3Å; I225-K227 PolarHBondContact O-N 3.21Å; K227-M230 HydrophobicContact CB-CE 4.16Å; K227-M230 PolarHBondContact O-N 2.67Å; K227-V231 WeakPolarHBondContact O-CG2 3.5Å; K227-V231 PolarHBondContact O-N 3.21Å; K227-R232 PolarHBondContact O-N 3.36Å; K227-H269 HydrophobicContact CD-CB 4.26Å; K227-H269 WeakPolarHBondContact CD-ND1 3.48Å; K227-H269 WeakPolarHBondContact CE-ND1 3.19Å; K227-L270 HydrophobicContact CB-CD2 4.42Å
228	E	96.5	Very high	95.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-64.4	-45.3	172.3	-61.6	-60.3	151.1	0	0	111.1	N193 I225 L226 M230 R232 N233 T234 Y235	N193-E228 HydrophobicContact CB-CG 3.81Å; N193-E228 WeakPolarHBondContact CB-OE1 3.34Å; N193-E228 PolarHBondContact ND2-OE1 2.83Å; I225-E228 HydrophobicContact CD1-CB 4.3Å; I225-E228 HydrophobicContact CD1-CG 3.99Å; I225-E228 HydrophobicContact CG1-CB 4.45Å; I225-E228 HydrophobicContact CG1-CG 4.46Å; I225-E228 WeakPolarHBondContact O-CA 3.3Å; I225-E228 VanDerWaalsContact O-CB 3.22Å; I225-E228 WeakPolarHBondContact O-CB 3.46Å; I225-E228 PolarHBondContact O-N 3.48Å; L226-E228 VanDerWaalsContact C-N 3.29Å; L226-E228 PolarHBondContact O-N 3.4Å; E228-M230 VanDerWaalsContact C-N 3.26Å; E228-M230 PolarHBondContact O-N 3.21Å; E228-R232 PolarHBondContact O-N 3.14Å; E228-R232 VanDerWaalsContact OE1-CD 3.26Å; E228-R232 WeakPolarHBondContact OE1-CD 3.36Å; E228-R232 IonicContact OE1-NH1 3.04Å; E228-R232 VanDerWaalsContact OE2-CB 3.27Å; E228-R232 WeakPolarHBondContact OE2-CB 3.46Å; E228-R232 WeakPolarHBondContact OE2-CG 3.2Å; E228-N233 WeakPolarHBondContact O-CA 3.29Å; E228-N233 PolarHBondContact O-N 3.45Å; E228-T234 PolarHBondContact OE1-OG1 3.31Å; E228-T234 WeakPolarHBondContact OE2-CA 3.43Å; E228-T234 WeakPolarHBondContact OE2-CB 3.34Å; E228-T234 PolarHBondContact OE2-N 2.94Å; E228-T234 PolarHBondContact OE2-OG1 3.02Å; E228-Y235 HydrophobicContact CB-CD1 4.09Å; E228-Y235 WeakPolarHBondContact O-CD1 3.44Å
229	F	94.6	Very high	95.5	Very high	20 Å²	20	9.6 Å²	9.6	9%	0.088	5%	0.051	C	C	.	.	I	π-helix	trans	-69.1	-26.1	178.5	-60.6	-64.8	0	0	0	112.8	I225 L226 Y235 F237 P239 V465 H582	I225-F229 HydrophobicContact CB-CE2 4.33Å; I225-F229 HydrophobicContact CG1-CD2 4.31Å; I225-F229 HydrophobicContact CG1-CE2 3.54Å; I225-F229 HydrophobicContact CG1-CZ 3.91Å; I225-F229 HydrophobicContact CG2-CE2 4.09Å; I225-F229 WeakPolarHBondContact O-CD2 3.29Å; I225-F229 PolarHBondContact O-N 3Å; L226-F229 PolarHBondContact O-N 3.48Å; F229-Y235 AromaticContact CD1-CD1 3.55Å; F229-Y235 HydrophobicContact CD1-CD1 3.55Å; F229-Y235 HydrophobicContact CD1-CD2 4.44Å; F229-Y235 HydrophobicContact CD1-CE1 4.15Å; F229-Y235 AromaticContact CD1-CG 3.73Å; F229-Y235 HydrophobicContact CD1-CG 3.73Å; F229-Y235 AromaticContact CE1-CD1 3.96Å; F229-Y235 HydrophobicContact CE1-CD1 3.96Å; F229-Y235 HydrophobicContact CE1-CD2 4.21Å; F229-Y235 AromaticContact CE1-CG 3.63Å; F229-Y235 HydrophobicContact CE1-CG 3.63Å; F229-Y235 HydrophobicContact CG-CD1 4.28Å; F229-F237 WeakPolarHBondContact CZ-O 3.42Å; F229-P239 HydrophobicContact CD2-CG 4.31Å; F229-P239 HydrophobicContact CE1-CG 4.25Å; F229-P239 HydrophobicContact CE2-CB 4.09Å; F229-P239 HydrophobicContact CE2-CG 4.01Å; F229-P239 HydrophobicContact CZ-CB 4.35Å; F229-P239 HydrophobicContact CZ-CG 3.99Å; F229-V465 HydrophobicContact CB-CG1 3.52Å; F229-V465 HydrophobicContact CD2-CG1 4.48Å; F229-V465 HydrophobicContact CG-CG1 4.36Å; F229-H582 AromaticContact CD1-CD2 3.65Å; F229-H582 AromaticContact CD1-NE2 3.8Å; F229-H582 HydrophobicContact CE1-CB 4.14Å; F229-H582 AromaticContact CE1-CD2 3.68Å; F229-H582 AromaticContact CE1-CG 3.75Å
230	M	94.5	Very high	95.5	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.01	9%	0.086	C	C	.	.	I	π-helix	trans	-77.9	-52.2	177	-66.6	-170.7	-89.7	0	0	112.5	L226 K227 E228 L270 N287 M461 V465 P470 K471	L226-M230 WeakPolarHBondContact O-CG 3.25Å; L226-M230 PolarHBondContact O-N 3.05Å; K227-M230 HydrophobicContact CB-CE 4.16Å; K227-M230 PolarHBondContact O-N 2.67Å; E228-M230 VanDerWaalsContact C-N 3.26Å; E228-M230 PolarHBondContact O-N 3.21Å; M230-L270 HydrophobicContact CB-CD2 4.2Å; M230-L270 HydrophobicContact CE-CD2 4.03Å; M230-L270 HydrophobicContact SD-CD2 4.11Å; M230-N287 VanDerWaalsContact CE-ND2 3.28Å; M230-N287 WeakPolarHBondContact CE-ND2 3.21Å; M230-M461 HydrophobicContact CE-CE 3.63Å; M230-M461 HydrophobicContact SD-CE 3.3Å; M230-M461 WeakPolarHBondContact SD-CE 3.28Å; M230-V465 HydrophobicContact CE-CG2 4.27Å; M230-V465 HydrophobicContact CG-CG1 4.34Å; M230-V465 HydrophobicContact CG-CG2 3.69Å; M230-V465 HydrophobicContact SD-CG2 3.89Å; M230-P470 HydrophobicContact CG-CB 4.22Å; M230-P470 HydrophobicContact SD-CB 3.59Å; M230-P470 VanDerWaalsContact SD-CB 3.59Å; M230-P470 HydrophobicContact SD-CG 4.31Å; M230-K471 VanDerWaalsContact O-CD 3.28Å; M230-K471 WeakPolarHBondContact O-CD 3.36Å; M230-K471 VanDerWaalsContact O-CG 3.26Å; M230-K471 WeakPolarHBondContact O-CG 3.49Å; M230-K471 PolarHBondContact O-NZ 2.97Å
231	V	95.1	Very high	95.6	Very high	11 Å²	11	17 Å²	17	7%	0.067	9%	0.085	C	C	.	.	I	π-helix	trans	-143.8	-30.7	-163.2	-62.1	0	0	0	0	116.1	K227 H269 L270 A273 I474	K227-V231 WeakPolarHBondContact O-CG2 3.5Å; K227-V231 PolarHBondContact O-N 3.21Å; V231-H269 HydrophobicContact CG2-CB 3.78Å; V231-H269 WeakPolarHBondContact CG2-O 3.39Å; V231-L270 HydrophobicContact CG1-CD2 3.95Å; V231-L270 HydrophobicContact CG2-CD2 3.73Å; V231-A273 HydrophobicContact CB-CB 3.64Å; V231-A273 HydrophobicContact CG1-CB 3.5Å; V231-A273 HydrophobicContact CG2-CB 4.5Å; V231-I474 HydrophobicContact CG1-CD1 3.69Å; V231-I474 HydrophobicContact CG1-CG2 4.16Å
232	R	95.4	Very high	95.6	Very high	47 Å²	47	17.3 Å²	17.3	18%	0.177	9%	0.087	C	C	.	.	I	π-helix	trans	-93.2	-20.5	-168.6	-171.6	173.9	-169.7	-76.8	-3.3	113.8	H147 K227 E228 T234 H269	H147-R232 PolarHBondContact CE1-NH1 3.32Å; H147-R232 VanDerWaalsContact CE1-NH1 3.27Å; H147-R232 PolarHBondContact CE1-NH2 3.24Å; H147-R232 PolarHBondContact NE2-NH2 2.73Å; K227-R232 PolarHBondContact O-N 3.36Å; E228-R232 PolarHBondContact O-N 3.14Å; E228-R232 VanDerWaalsContact OE1-CD 3.26Å; E228-R232 WeakPolarHBondContact OE1-CD 3.36Å; E228-R232 IonicContact OE1-NH1 3.04Å; E228-R232 VanDerWaalsContact OE2-CB 3.27Å; E228-R232 WeakPolarHBondContact OE2-CB 3.46Å; E228-R232 WeakPolarHBondContact OE2-CG 3.2Å; R232-T234 VanDerWaalsContact C-N 3.28Å; R232-T234 PolarHBondContact NH1-OG1 3.39Å; R232-T234 PolarHBondContact O-N 3.49Å; R232-H269 HydrophobicContact CB-CB 4.43Å; R232-H269 WeakPolarHBondContact CD-CD2 3.03Å; R232-H269 PolarHBondContact NE-CD2 3.15Å; R232-H269 PolarHBondContact NE-NE2 2.96Å
233	N	96.3	Very high	95.4	Very high	3 Å²	3	18 Å²	18	2%	0.016	9%	0.091	C	C	.	.			trans	58	29.4	168.4	-63.6	-42.4	0	0	0	115.3	E228 Y235 G635 D637 L659 F660	E228-N233 WeakPolarHBondContact O-CA 3.29Å; E228-N233 PolarHBondContact O-N 3.45Å; N233-Y235 HydrophobicContact CB-CE1 4.33Å; N233-G635 PolarHBondContact ND2-O 3.49Å; N233-D637 PolarHBondContact ND2-OD2 3.47Å; N233-L659 HydrophobicContact CB-CD1 3.84Å; N233-L659 VanDerWaalsContact CG-CD1 3.43Å; N233-F660 HydrophobicContact CB-CZ 4.29Å; N233-F660 WeakPolarHBondContact O-CZ 3.46Å
234	T	97.1	Very high	95.2	Very high	4 Å²	4	20.1 Å²	20.1	3%	0.025	10%	0.1	C	C	.	.			trans	-106.7	24.7	171.6	65.5	0	0	0	0	113	L144 H147 G194 E228 R232	L144-T234 HydrophobicContact CD2-CG2 4.42Å; H147-T234 HydrophobicContact CB-CG2 4.16Å; G194-T234 VanDerWaalsContact CA-O 3.27Å; G194-T234 WeakPolarHBondContact CA-O 3.44Å; E228-T234 PolarHBondContact OE1-OG1 3.31Å; E228-T234 WeakPolarHBondContact OE2-CA 3.43Å; E228-T234 WeakPolarHBondContact OE2-CB 3.34Å; E228-T234 PolarHBondContact OE2-N 2.94Å; E228-T234 PolarHBondContact OE2-OG1 3.02Å; R232-T234 VanDerWaalsContact C-N 3.28Å; R232-T234 PolarHBondContact NH1-OG1 3.39Å; R232-T234 PolarHBondContact O-N 3.49Å
235	Y	96.9	Very high	95	Very high	5 Å²	5	20.4 Å²	20.4	2%	0.02	10%	0.102	C	C	.	.			trans	-69	156.8	172.1	50.6	-104.4	0	0	0	112	E228 F229 N233 H582 A584 F660	E228-Y235 HydrophobicContact CB-CD1 4.09Å; E228-Y235 WeakPolarHBondContact O-CD1 3.44Å; F229-Y235 AromaticContact CD1-CD1 3.55Å; F229-Y235 HydrophobicContact CD1-CD1 3.55Å; F229-Y235 HydrophobicContact CD1-CD2 4.44Å; F229-Y235 HydrophobicContact CD1-CE1 4.15Å; F229-Y235 AromaticContact CD1-CG 3.73Å; F229-Y235 HydrophobicContact CD1-CG 3.73Å; F229-Y235 AromaticContact CE1-CD1 3.96Å; F229-Y235 HydrophobicContact CE1-CD1 3.96Å; F229-Y235 HydrophobicContact CE1-CD2 4.21Å; F229-Y235 AromaticContact CE1-CG 3.63Å; F229-Y235 HydrophobicContact CE1-CG 3.63Å; F229-Y235 HydrophobicContact CG-CD1 4.28Å; N233-Y235 HydrophobicContact CB-CE1 4.33Å; Y235-H582 HydrophobicContact CD2-CB 3.88Å; Y235-H582 AromaticContact CD2-CD2 3.76Å; Y235-H582 HydrophobicContact CE2-CB 4.22Å; Y235-H582 AromaticContact CE2-CD2 3.53Å; Y235-H582 AromaticContact CZ-CD2 3.86Å; Y235-A584 WeakPolarHBondContact OH-CB 3.37Å; Y235-F660 HydrophobicContact CE2-CE2 4.2Å
236	I	97.6	Very high	94.9	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.015	10%	0.101	C	C	.	.			trans	-119.5	-64.1	174.6	-56.1	176.5	0	0	0	108.7	R148 A195 T572 K576 E581 H582	R148-I236 VanDerWaalsContact O-CD1 3.27Å; R148-I236 WeakPolarHBondContact O-CD1 3.47Å; R148-I236 WeakPolarHBondContact O-CG1 3.3Å; A195-I236 HydrophobicContact CB-CD1 4.15Å; I236-T572 HydrophobicContact CD1-CG2 3.8Å; I236-T572 HydrophobicContact CG2-CG2 3.95Å; I236-K576 HydrophobicContact CG2-CD 4.34Å; I236-K576 HydrophobicContact CG2-CG 4.18Å; I236-E581 WeakPolarHBondContact O-CA 3.31Å; I236-H582 PolarHBondContact O-N 3.1Å
237	F	97	Very high	94.7	Very high	8 Å²	8	20.6 Å²	20.6	4%	0.035	11%	0.105	C	C	.	.	S	Bend	trans	-88	161.9	-176.1	-44.4	-67.3	0	0	0	111.8	F229 P241 S242 T572 M575 K576 F579	F229-F237 WeakPolarHBondContact CZ-O 3.42Å; F237-P241 HydrophobicContact CB-CB 4.37Å; F237-P241 HydrophobicContact CB-CG 3.98Å; F237-S242 PolarHBondContact O-OG 3.26Å; F237-T572 HydrophobicContact CZ-CG2 4.11Å; F237-M575 HydrophobicContact CE1-CB 3.81Å; F237-M575 HydrophobicContact CE2-CB 4.49Å; F237-M575 HydrophobicContact CE2-CE 4.21Å; F237-M575 HydrophobicContact CE2-SD 4.37Å; F237-M575 HydrophobicContact CZ-CB 3.61Å; F237-M575 HydrophobicContact CZ-CE 3.93Å; F237-M575 HydrophobicContact CZ-SD 4.25Å; F237-K576 HydrophobicContact CD1-CG 4.29Å; F237-K576 HydrophobicContact CE1-CB 4.32Å; F237-K576 HydrophobicContact CE1-CG 3.58Å; F237-K576 HydrophobicContact CZ-CG 4.45Å; F237-F579 HydrophobicContact CB-CB 4.29Å; F237-F579 HydrophobicContact CD1-CB 3.71Å; F237-F579 AromaticContact CD1-CD2 3.91Å; F237-F579 HydrophobicContact CD1-CD2 3.91Å; F237-F579 HydrophobicContact CD1-CG 4.34Å; F237-F579 HydrophobicContact CD2-CD2 4.43Å; F237-F579 HydrophobicContact CE1-CB 4.41Å; F237-F579 HydrophobicContact CE1-CD2 4.13Å; F237-F579 HydrophobicContact CG-CB 4.21Å; F237-F579 HydrophobicContact CG-CD2 4.07Å
238	P	94.5	Very high	94.5	Very high	35 Å²	35	21.3 Å²	21.3	23%	0.227	11%	0.109	C	C	.	.			trans	-57.3	166.1	168.8	-24.9	34.9	0	0	0	113.5	E240 P241 S242 F579	P238-E240 PolarHBondContact O-N 2.92Å; P238-P241 HydrophobicContact CB-CG 4.06Å; P238-P241 HydrophobicContact CG-CG 4.34Å; P238-P241 VanDerWaalsContact O-CD 3.28Å; P238-P241 WeakPolarHBondContact O-CD 3.19Å; P238-P241 WeakPolarHBondContact O-CG 3.43Å; P238-S242 WeakPolarHBondContact O-CB 3.5Å; P238-S242 PolarHBondContact O-N 3.38Å; P238-S242 PolarHBondContact O-OG 2.89Å; P238-F579 WeakPolarHBondContact CD-O 3.23Å
239	P	90.6	Very high	94.4	Very high	32 Å²	32	21.3 Å²	21.3	21%	0.208	11%	0.109	C	C	.	.	H	α-helix	trans	-56.1	-49.4	-175.2	-29.1	36	0	0	0	114.6	F229 S242 M243	F229-P239 HydrophobicContact CD2-CG 4.31Å; F229-P239 HydrophobicContact CE1-CG 4.25Å; F229-P239 HydrophobicContact CE2-CB 4.09Å; F229-P239 HydrophobicContact CE2-CG 4.01Å; F229-P239 HydrophobicContact CZ-CB 4.35Å; F229-P239 HydrophobicContact CZ-CG 3.99Å; P239-S242 WeakPolarHBondContact O-CB 3.3Å; P239-S242 PolarHBondContact O-N 2.83Å; P239-M243 VanDerWaalsContact O-CG 3.31Å; P239-M243 WeakPolarHBondContact O-CG 3.42Å; P239-M243 PolarHBondContact O-N 2.75Å
240	E	90.8	Very high	94.3	Very high	160 Å²	160	20.4 Å²	20.4	75%	0.748	11%	0.105	S	C	*	.	H	α-helix	trans	-58.9	-55.5	-177.4	-176	-170.4	173.7	0	0	113.8	P238 S242 M243 H244	P238-E240 PolarHBondContact O-N 2.92Å; E240-S242 PolarHBondContact O-N 3.48Å; E240-M243 PolarHBondContact O-N 3.28Å; E240-H244 PolarHBondContact O-N 2.98Å; E240-H244 VanDerWaalsContact O-N 3.09Å
241	P	94.1	Very high	94.1	Very high	10 Å²	10	22 Å²	22	7%	0.065	12%	0.118	C	C	.	.	H	α-helix	trans	-63.2	-30.3	177.2	22.8	-32.6	0	0	0	112.8	F237 P238 H244 A245 F579	F237-P241 HydrophobicContact CB-CB 4.37Å; F237-P241 HydrophobicContact CB-CG 3.98Å; P238-P241 HydrophobicContact CB-CG 4.06Å; P238-P241 HydrophobicContact CG-CG 4.34Å; P238-P241 VanDerWaalsContact O-CD 3.28Å; P238-P241 WeakPolarHBondContact O-CD 3.19Å; P238-P241 WeakPolarHBondContact O-CG 3.43Å; P241-H244 PolarHBondContact O-N 3.1Å; P241-A245 PolarHBondContact O-N 3.18Å; P241-F579 HydrophobicContact CB-CB 3.88Å; P241-F579 HydrophobicContact CB-CD1 3.68Å; P241-F579 HydrophobicContact CB-CD2 3.82Å; P241-F579 HydrophobicContact CB-CE1 4.16Å; P241-F579 HydrophobicContact CB-CE2 4.26Å; P241-F579 HydrophobicContact CB-CG 3.51Å; P241-F579 HydrophobicContact CB-CZ 4.43Å; P241-F579 HydrophobicContact CG-CB 4.04Å; P241-F579 HydrophobicContact CG-CG 4.23Å
242	S	95.4	Very high	94	Very high	6 Å²	6	22.2 Å²	22.2	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-67.4	-42.4	175.5	-56.4	0	0	0	0	112.3	F237 P238 P239 E240 H244 A245 I246	F237-S242 PolarHBondContact O-OG 3.26Å; P238-S242 WeakPolarHBondContact O-CB 3.5Å; P238-S242 PolarHBondContact O-N 3.38Å; P238-S242 PolarHBondContact O-OG 2.89Å; P239-S242 WeakPolarHBondContact O-CB 3.3Å; P239-S242 PolarHBondContact O-N 2.83Å; E240-S242 PolarHBondContact O-N 3.48Å; S242-H244 VanDerWaalsContact C-N 3.27Å; S242-H244 PolarHBondContact O-N 2.8Å; S242-A245 PolarHBondContact O-N 3.45Å; S242-I246 WeakPolarHBondContact O-CG1 3.49Å; S242-I246 PolarHBondContact O-N 2.72Å; S242-I246 VanDerWaalsContact O-N 3.13Å
243	M	92.3	Very high	93.8	Very high	21 Å²	21	20 Å²	20	10%	0.103	11%	0.11	C	C	.	.	H	α-helix	trans	-65	-33.1	175.2	-66.2	-58.7	-64.8	0	0	111.8	I225 L226 P239 E240 I246 A247 Y291 T294	I225-M243 HydrophobicContact CG2-SD 3.76Å; L226-M243 HydrophobicContact CD1-SD 4.48Å; L226-M243 HydrophobicContact CD2-SD 4Å; L226-M243 HydrophobicContact CG-SD 4.03Å; P239-M243 VanDerWaalsContact O-CG 3.31Å; P239-M243 WeakPolarHBondContact O-CG 3.42Å; P239-M243 PolarHBondContact O-N 2.75Å; E240-M243 PolarHBondContact O-N 3.28Å; M243-I246 WeakPolarHBondContact O-CB 3.47Å; M243-I246 PolarHBondContact O-N 3.27Å; M243-I246 HydrophobicContact SD-CD1 4.15Å; M243-A247 PolarHBondContact O-N 2.92Å; M243-Y291 HydrophobicContact CE-CD1 3.66Å; M243-Y291 HydrophobicContact CE-CE1 3.62Å; M243-Y291 HydrophobicContact SD-CD1 4.48Å; M243-Y291 HydrophobicContact SD-CE1 3.85Å; M243-T294 HydrophobicContact CE-CG2 4.22Å; M243-T294 WeakPolarHBondContact CE-OG1 3.29Å
244	H	91.9	Very high	93.3	Very high	47 Å²	47	21.8 Å²	21.8	22%	0.218	12%	0.122	C	C	.	.	H	α-helix	trans	-66.1	-42.5	172.4	175.6	80.1	0	0	0	112.4	E240 P241 S242 I246 A247 D248 R550	E240-H244 PolarHBondContact O-N 2.98Å; E240-H244 VanDerWaalsContact O-N 3.09Å; P241-H244 PolarHBondContact O-N 3.1Å; S242-H244 VanDerWaalsContact C-N 3.27Å; S242-H244 PolarHBondContact O-N 2.8Å; H244-I246 PolarHBondContact O-N 2.9Å; H244-A247 WeakPolarHBondContact O-CB 3.49Å; H244-A247 PolarHBondContact O-N 3.5Å; H244-A247 VanDerWaalsContact O-N 3.08Å; H244-D248 IonicContact CE1-OD1 2.77Å; H244-D248 IonicContact NE2-OD2 3.92Å; H244-D248 PolarHBondContact O-N 3.34Å; H244-R550 PolarHBondContact CD2-NH1 2.9Å; H244-R550 PolarHBondContact NE2-NH1 3.37Å
245	A	94.7	Very high	92.9	Very high	5 Å²	5	29.3 Å²	29.3	4%	0.041	16%	0.155	C	C	.	.	H	α-helix	trans	-59	-37.2	174.2	0	0	0	0	0	111.9	I197 P241 S242 D248 I249 L554	I197-A245 HydrophobicContact CD1-CB 4.34Å; I197-A245 HydrophobicContact CG1-CB 4.23Å; P241-A245 PolarHBondContact O-N 3.18Å; S242-A245 PolarHBondContact O-N 3.45Å; A245-D248 PolarHBondContact O-N 2.94Å; A245-I249 WeakPolarHBondContact O-CD1 3.28Å; A245-I249 VanDerWaalsContact O-CG1 3.28Å; A245-I249 WeakPolarHBondContact O-CG1 3.36Å; A245-I249 PolarHBondContact O-N 3.37Å; A245-I249 VanDerWaalsContact O-N 3.08Å; A245-L554 HydrophobicContact CB-CD1 4.46Å
246	I	94.3	Very high	92.7	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-63.4	-44.7	173.2	-67.6	174.1	0	0	0	111.4	N223 I225 S242 M243 H244 D248 I249 F250 Y291	N223-I246 WeakPolarHBondContact OD1-CG1 3.49Å; I225-I246 HydrophobicContact CB-CD1 4Å; I225-I246 HydrophobicContact CG2-CD1 3.53Å; S242-I246 WeakPolarHBondContact O-CG1 3.49Å; S242-I246 PolarHBondContact O-N 2.72Å; S242-I246 VanDerWaalsContact O-N 3.13Å; M243-I246 WeakPolarHBondContact O-CB 3.47Å; M243-I246 PolarHBondContact O-N 3.27Å; M243-I246 HydrophobicContact SD-CD1 4.15Å; H244-I246 PolarHBondContact O-N 2.9Å; I246-D248 VanDerWaalsContact C-N 3.3Å; I246-D248 PolarHBondContact O-N 3.44Å; I246-I249 PolarHBondContact O-N 3.37Å; I246-F250 HydrophobicContact CG2-CD1 4.35Å; I246-F250 HydrophobicContact CG2-CD2 4Å; I246-F250 HydrophobicContact CG2-CE1 3.77Å; I246-F250 HydrophobicContact CG2-CE2 3.38Å; I246-F250 HydrophobicContact CG2-CG 4.46Å; I246-F250 HydrophobicContact CG2-CZ 3.25Å; I246-F250 VanDerWaalsContact O-CG 3.3Å; I246-F250 WeakPolarHBondContact O-CG 3.36Å; I246-F250 PolarHBondContact O-N 3.3Å; I246-Y291 HydrophobicContact CD1-CD1 4.41Å; I246-Y291 HydrophobicContact CD1-CE1 3.64Å; I246-Y291 HydrophobicContact CG2-CD1 4.29Å
247	A	91.9	Very high	92.5	Very high	11 Å²	11	32.1 Å²	32.1	9%	0.091	17%	0.168	C	C	.	.	H	α-helix	trans	-57.3	-43.7	176.3	0	0	0	0	0	111.9	M243 H244 I249 F250 A251 T294 A298	M243-A247 PolarHBondContact O-N 2.92Å; H244-A247 WeakPolarHBondContact O-CB 3.49Å; H244-A247 PolarHBondContact O-N 3.5Å; H244-A247 VanDerWaalsContact O-N 3.08Å; A247-I249 PolarHBondContact O-N 3.18Å; A247-F250 WeakPolarHBondContact O-CB 3.26Å; A247-F250 PolarHBondContact O-N 3.43Å; A247-A251 PolarHBondContact O-N 3.19Å; A247-T294 HydrophobicContact CB-CG2 3.91Å; A247-A298 HydrophobicContact CB-CB 4Å
248	D	93.8	Very high	92	Very high	16 Å²	16	34.6 Å²	34.6	9%	0.086	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-39.9	176.8	-87.8	5.8	0	0	0	112.7	H244 A245 I246 F250 A251 Y252 N553 L554	H244-D248 IonicContact CE1-OD1 2.77Å; H244-D248 IonicContact NE2-OD2 3.92Å; H244-D248 PolarHBondContact O-N 3.34Å; A245-D248 PolarHBondContact O-N 2.94Å; I246-D248 VanDerWaalsContact C-N 3.3Å; I246-D248 PolarHBondContact O-N 3.44Å; D248-F250 VanDerWaalsContact C-N 3.33Å; D248-A251 PolarHBondContact O-N 3.27Å; D248-Y252 WeakPolarHBondContact O-CB 3.24Å; D248-Y252 PolarHBondContact O-N 3.48Å; D248-N553 WeakPolarHBondContact CA-ND2 3.26Å; D248-N553 WeakPolarHBondContact CB-ND2 3.35Å; D248-N553 PolarHBondContact O-ND2 3.25Å; D248-L554 HydrophobicContact CB-CB 4.42Å; D248-L554 WeakPolarHBondContact OD2-CB 3.3Å; D248-L554 VanDerWaalsContact OD2-CG 3.31Å; D248-L554 WeakPolarHBondContact OD2-CG 3.33Å; D248-L554 PolarHBondContact OD2-N 2.94Å
249	I	94.7	Very high	91.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-63.1	-42.3	174.6	-68.1	162	0	0	0	110.3	V196 I197 L200 N223 A245 I246 A247 Y252 T253 L555	V196-I249 HydrophobicContact CB-CD1 4.33Å; V196-I249 HydrophobicContact CG1-CD1 3.64Å; V196-I249 HydrophobicContact CG2-CD1 3.76Å; I197-I249 HydrophobicContact CD1-CD1 3.84Å; I197-I249 HydrophobicContact CD1-CG1 3.77Å; L200-I249 HydrophobicContact CD2-CG2 3.96Å; N223-I249 WeakPolarHBondContact OD1-CD1 3.36Å; A245-I249 WeakPolarHBondContact O-CD1 3.28Å; A245-I249 VanDerWaalsContact O-CG1 3.28Å; A245-I249 WeakPolarHBondContact O-CG1 3.36Å; A245-I249 PolarHBondContact O-N 3.37Å; A245-I249 VanDerWaalsContact O-N 3.08Å; I246-I249 PolarHBondContact O-N 3.37Å; A247-I249 PolarHBondContact O-N 3.18Å; I249-Y252 PolarHBondContact O-N 2.99Å; I249-T253 HydrophobicContact CG2-CG2 4.05Å; I249-T253 WeakPolarHBondContact O-CB 3.46Å; I249-T253 VanDerWaalsContact O-CG2 3.27Å; I249-T253 WeakPolarHBondContact O-CG2 3.29Å; I249-T253 PolarHBondContact O-N 3.01Å; I249-T253 PolarHBondContact O-OG1 3.04Å; I249-L555 HydrophobicContact CG1-CB 4.49Å; I249-L555 HydrophobicContact CG1-CD2 4.2Å
250	F	91.4	Very high	91.7	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	19%	0.19	C	C	.	.	H	α-helix	trans	-61.6	-47.6	177	-64.4	-18	0	0	0	111.8	I246 A247 D248 Y252 T253 S254 S262 I263 L300 F305	I246-F250 HydrophobicContact CG2-CD1 4.35Å; I246-F250 HydrophobicContact CG2-CD2 4Å; I246-F250 HydrophobicContact CG2-CE1 3.77Å; I246-F250 HydrophobicContact CG2-CE2 3.38Å; I246-F250 HydrophobicContact CG2-CG 4.46Å; I246-F250 HydrophobicContact CG2-CZ 3.25Å; I246-F250 VanDerWaalsContact O-CG 3.3Å; I246-F250 WeakPolarHBondContact O-CG 3.36Å; I246-F250 PolarHBondContact O-N 3.3Å; A247-F250 WeakPolarHBondContact O-CB 3.26Å; A247-F250 PolarHBondContact O-N 3.43Å; D248-F250 VanDerWaalsContact C-N 3.33Å; F250-Y252 PolarHBondContact O-N 3.32Å; F250-T253 PolarHBondContact O-OG1 3.34Å; F250-S254 VanDerWaalsContact O-CB 3.24Å; F250-S254 WeakPolarHBondContact O-CB 3.46Å; F250-S254 PolarHBondContact O-N 3.46Å; F250-S254 PolarHBondContact O-OG 3.07Å; F250-S262 WeakPolarHBondContact CD1-OG 3.36Å; F250-I263 HydrophobicContact CE1-CB 3.88Å; F250-I263 HydrophobicContact CE1-CG2 3.84Å; F250-I263 HydrophobicContact CZ-CB 4.1Å; F250-I263 HydrophobicContact CZ-CD1 3.97Å; F250-I263 HydrophobicContact CZ-CG2 3.88Å; F250-L300 HydrophobicContact CB-CD1 3.82Å; F250-F305 HydrophobicContact CB-CE2 4.35Å; F250-F305 AromaticContact CD1-CE2 3.93Å; F250-F305 HydrophobicContact CD1-CE2 3.93Å; F250-F305 HydrophobicContact CD2-CD2 4.08Å; F250-F305 AromaticContact CD2-CE2 3.29Å; F250-F305 HydrophobicContact CD2-CE2 3.29Å; F250-F305 AromaticContact CD2-CZ 3.93Å; F250-F305 HydrophobicContact CD2-CZ 3.93Å; F250-F305 AromaticContact CE1-CE2 3.94Å; F250-F305 HydrophobicContact CE1-CE2 3.94Å; F250-F305 HydrophobicContact CE1-CZ 4.44Å; F250-F305 HydrophobicContact CE2-CD2 4.43Å; F250-F305 AromaticContact CE2-CE2 3.28Å; F250-F305 HydrophobicContact CE2-CE2 3.28Å; F250-F305 AromaticContact CE2-CZ 3.45Å; F250-F305 HydrophobicContact CE2-CZ 3.45Å; F250-F305 VanDerWaalsContact CE2-CZ 3.45Å; F250-F305 HydrophobicContact CG-CD2 4.25Å; F250-F305 AromaticContact CG-CE2 3.61Å; F250-F305 HydrophobicContact CG-CE2 3.61Å; F250-F305 AromaticContact CZ-CE2 3.62Å; F250-F305 HydrophobicContact CZ-CE2 3.62Å; F250-F305 AromaticContact CZ-CZ 3.74Å; F250-F305 HydrophobicContact CZ-CZ 3.74Å
251	A	89.4	Confident	91.6	Very high	34 Å²	34	31.1 Å²	31.1	28%	0.281	16%	0.162	S	C	.	.	H	α-helix	trans	-62.5	-40.9	178.5	0	0	0	0	0	112.7	A247 D248 S254	A247-A251 PolarHBondContact O-N 3.19Å; D248-A251 PolarHBondContact O-N 3.27Å; A251-S254 PolarHBondContact O-OG 2.78Å
252	Y	92.9	Very high	91.4	Very high	16 Å²	16	30.7 Å²	30.7	6%	0.063	16%	0.159	C	C	.	.	H	α-helix	trans	-71.4	-48.3	179.4	-176.2	-87.1	0	0	0	112.1	I204 D248 I249 F250 S254 K255 H256 M257 L555 A556	I204-Y252 HydrophobicContact CD1-CE1 3.8Å; D248-Y252 WeakPolarHBondContact O-CB 3.24Å; D248-Y252 PolarHBondContact O-N 3.48Å; I249-Y252 PolarHBondContact O-N 2.99Å; F250-Y252 PolarHBondContact O-N 3.32Å; Y252-S254 PolarHBondContact O-N 2.85Å; Y252-K255 PolarHBondContact O-N 3.41Å; Y252-H256 HydrophobicContact CD1-CB 4.42Å; Y252-H256 AromaticContact CD2-CD2 3.71Å; Y252-H256 HydrophobicContact CE1-CB 4.06Å; Y252-H256 AromaticContact CE2-CD2 3.63Å; Y252-H256 AromaticContact CZ-CD2 3.95Å; Y252-H256 WeakPolarHBondContact O-CB 3.2Å; Y252-H256 PolarHBondContact O-CD2 3.23Å; Y252-H256 PolarHBondContact O-N 3.36Å; Y252-M257 HydrophobicContact CE1-SD 4.28Å; Y252-L555 HydrophobicContact CD1-CD2 3.47Å; Y252-L555 VanDerWaalsContact CD1-CD2 3.47Å; Y252-L555 HydrophobicContact CD1-CG 4.03Å; Y252-L555 HydrophobicContact CE1-CD2 4.16Å; Y252-L555 HydrophobicContact CE1-CG 4.45Å; Y252-L555 HydrophobicContact CG-CB 4.37Å; Y252-L555 HydrophobicContact CG-CD2 3.81Å; Y252-L555 HydrophobicContact CG-CG 4.13Å; Y252-A556 HydrophobicContact CD2-CB 3.9Å; Y252-A556 HydrophobicContact CE2-CB 3.86Å
253	T	91.9	Very high	91.4	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-68.4	-37	-175.5	55	0	0	0	0	111.6	I249 F250 K255 M257 S262 R310	I249-T253 HydrophobicContact CG2-CG2 4.05Å; I249-T253 WeakPolarHBondContact O-CB 3.46Å; I249-T253 VanDerWaalsContact O-CG2 3.27Å; I249-T253 WeakPolarHBondContact O-CG2 3.29Å; I249-T253 PolarHBondContact O-N 3.01Å; I249-T253 PolarHBondContact O-OG1 3.04Å; F250-T253 PolarHBondContact O-OG1 3.34Å; T253-K255 VanDerWaalsContact C-N 3.27Å; T253-K255 PolarHBondContact O-N 2.92Å; T253-M257 HydrophobicContact CG2-SD 4.21Å; T253-M257 CarbonylContact O-C 3.38Å; T253-M257 VanDerWaalsContact O-C 3.31Å; T253-M257 WeakPolarHBondContact O-CA 3.36Å; T253-M257 PolarHBondContact O-N 2.95Å; T253-S262 WeakPolarHBondContact OG1-CB 3.33Å; T253-R310 VanDerWaalsContact O-CZ 3.31Å; T253-R310 PolarHBondContact O-NH1 2.75Å; T253-R310 PolarHBondContact O-NH2 3.5Å
254	S	86.9	Confident	91.5	Very high	40 Å²	40	29.8 Å²	29.8	28%	0.28	16%	0.155	S	C	.	.	H	α-helix	trans	-56.3	-42.1	175.4	68.9	0	0	0	0	111.7	F250 A251 Y252 R310	F250-S254 VanDerWaalsContact O-CB 3.24Å; F250-S254 WeakPolarHBondContact O-CB 3.46Å; F250-S254 PolarHBondContact O-N 3.46Å; F250-S254 PolarHBondContact O-OG 3.07Å; A251-S254 PolarHBondContact O-OG 2.78Å; Y252-S254 PolarHBondContact O-N 2.85Å; S254-R310 VanDerWaalsContact CA-NH2 3.34Å
255	K	88.6	Confident	91.8	Very high	163 Å²	163	27.6 Å²	27.6	71%	0.709	15%	0.145	S	C	*	.	H	α-helix	trans	-79.7	-42.3	-179.2	-173.5	175.8	177.8	-177	0	114.2	Y252 T253	Y252-K255 PolarHBondContact O-N 3.41Å; T253-K255 VanDerWaalsContact C-N 3.27Å; T253-K255 PolarHBondContact O-N 2.92Å
256	H	92.8	Very high	91.9	Very high	66 Å²	66	27.3 Å²	27.3	31%	0.306	14%	0.143	S	C	.	.	H	α-helix	trans	-108.6	-18.2	-166.9	-64.8	-66.6	0	0	0	115	K214 E215 Y252	K214-H256 CarbonylContact C-O 3.38Å; K214-H256 WeakPolarHBondContact CB-O 3.42Å; E215-H256 PolarHBondContact N-O 2.9Å; Y252-H256 HydrophobicContact CD1-CB 4.42Å; Y252-H256 AromaticContact CD2-CD2 3.71Å; Y252-H256 HydrophobicContact CE1-CB 4.06Å; Y252-H256 AromaticContact CE2-CD2 3.63Å; Y252-H256 AromaticContact CZ-CD2 3.95Å; Y252-H256 WeakPolarHBondContact O-CB 3.2Å; Y252-H256 PolarHBondContact O-CD2 3.23Å; Y252-H256 PolarHBondContact O-N 3.36Å
257	M	92.6	Very high	92.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.142	C	C	.	.			trans	-134.9	55.9	-171.8	-61.3	173.9	67.7	0	0	112.2	I204 K214 L217 Y252 T253 K259 F260 R310	I204-M257 HydrophobicContact CD1-SD 3.75Å; I204-M257 HydrophobicContact CG1-CE 4.12Å; I204-M257 HydrophobicContact CG1-SD 3.8Å; K214-M257 HydrophobicContact CB-CG 4.18Å; L217-M257 HydrophobicContact CB-CE 4.09Å; L217-M257 HydrophobicContact CD1-CE 4.03Å; Y252-M257 HydrophobicContact CE1-SD 4.28Å; T253-M257 HydrophobicContact CG2-SD 4.21Å; T253-M257 CarbonylContact O-C 3.38Å; T253-M257 VanDerWaalsContact O-C 3.31Å; T253-M257 WeakPolarHBondContact O-CA 3.36Å; T253-M257 PolarHBondContact O-N 2.95Å; M257-K259 PolarHBondContact O-N 2.82Å; M257-F260 HydrophobicContact CB-CB 3.94Å; M257-F260 HydrophobicContact CE-CB 3.89Å; M257-F260 HydrophobicContact CE-CD1 4.09Å; M257-F260 HydrophobicContact CE-CD2 3.76Å; M257-F260 HydrophobicContact CE-CE2 4.3Å; M257-F260 HydrophobicContact CE-CG 3.65Å; M257-F260 PolarHBondContact O-N 2.77Å; M257-R310 VanDerWaalsContact C-NH2 3.28Å; M257-R310 PolarHBondContact O-NH1 2.87Å; M257-R310 PolarHBondContact O-NH2 3.05Å
258	P	86.3	Confident	92.4	Very high	61 Å²	61	27.9 Å²	27.9	40%	0.396	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-41.5	-27.7	-174.9	12.2	-30.1	0	0	0	117.3	E215 S309	E215-P258 HydrophobicContact CB-CG 3.97Å; P258-S309 WeakPolarHBondContact O-CB 3.43Å; P258-S309 PolarHBondContact O-OG 3.28Å; P258-S309 VanDerWaalsContact O-OG 3.09Å
259	K	88.1	Confident	92.6	Very high	124 Å²	124	28.1 Å²	28.1	54%	0.539	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	2.3	-173.5	-58.2	179.3	178.7	175.3	0	114.8	T218 M257	T218-K259 HydrophobicContact CG2-CB 3.9Å; T218-K259 HydrophobicContact CG2-CD 4.06Å; M257-K259 PolarHBondContact O-N 2.82Å
260	F	89.9	Confident	92.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	125.7	-174.3	-166.7	-93	0	0	0	111.7	M190 L200 F203 I221 M257 S262 S309 R310	M190-F260 HydrophobicContact CE-CE2 4.25Å; M190-F260 HydrophobicContact CE-CZ 3.78Å; L200-F260 HydrophobicContact CD1-CE1 3.89Å; L200-F260 HydrophobicContact CD1-CZ 3.88Å; F203-F260 HydrophobicContact CD1-CE2 4.33Å; F203-F260 HydrophobicContact CE1-CD2 4.35Å; F203-F260 AromaticContact CE1-CE2 3.72Å; F203-F260 HydrophobicContact CE1-CE2 3.72Å; F203-F260 HydrophobicContact CE1-CZ 4.47Å; F203-F260 HydrophobicContact CZ-CE2 4.45Å; I221-F260 HydrophobicContact CB-CE1 3.77Å; I221-F260 HydrophobicContact CB-CZ 4.03Å; I221-F260 HydrophobicContact CG2-CE1 3.66Å; I221-F260 HydrophobicContact CG2-CZ 4.41Å; M257-F260 HydrophobicContact CB-CB 3.94Å; M257-F260 HydrophobicContact CE-CB 3.89Å; M257-F260 HydrophobicContact CE-CD1 4.09Å; M257-F260 HydrophobicContact CE-CD2 3.76Å; M257-F260 HydrophobicContact CE-CE2 4.3Å; M257-F260 HydrophobicContact CE-CG 3.65Å; M257-F260 PolarHBondContact O-N 2.77Å; F260-S262 PolarHBondContact O-N 3.21Å; F260-S309 CarbonylContact C-O 3.36Å; F260-S309 VanDerWaalsContact C-O 3.3Å; F260-S309 VanDerWaalsContact O-O 3.05Å; F260-R310 WeakPolarHBondContact O-CD 3.48Å; F260-R310 PolarHBondContact O-NH1 2.97Å
261	N	89.9	Confident	93.1	Very high	29 Å²	29	28.6 Å²	28.6	16%	0.155	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	114.7	176.4	-51.1	-72.9	0	0	0	109.1	G219 T220 I221 I263 S309	G219-N261 PolarHBondContact O-N 2.94Å; G219-N261 PolarHBondContact O-ND2 2.83Å; T220-N261 WeakPolarHBondContact CA-O 3.46Å; T220-N261 HydrophobicContact CG2-CB 3.94Å; T220-N261 WeakPolarHBondContact OG1-CB 3.47Å; T220-N261 PolarHBondContact OG1-ND2 3Å; I221-N261 PolarHBondContact N-O 3.12Å; I221-N261 VanDerWaalsContact N-O 3.07Å; N261-I263 VanDerWaalsContact C-N 3.33Å; N261-S309 WeakPolarHBondContact CA-O 3.31Å; N261-S309 PolarHBondContact N-O 3.5Å; N261-S309 VanDerWaalsContact OD1-C 3.24Å; N261-S309 PolarHBondContact OD1-O 2.98Å
262	S	90.6	Very high	93.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.007	14%	0.139	C	C	.	.			trans	-83.3	-9.5	-170.3	54.7	0	0	0	0	113.8	I221 N223 F250 T253 F260 R310	I221-S262 WeakPolarHBondContact CG2-O 3.22Å; N223-S262 WeakPolarHBondContact CB-O 3.26Å; N223-S262 PolarHBondContact ND2-O 2.94Å; F250-S262 WeakPolarHBondContact CD1-OG 3.36Å; T253-S262 WeakPolarHBondContact OG1-CB 3.33Å; F260-S262 PolarHBondContact O-N 3.21Å; S262-R310 PolarHBondContact N-O 3.08Å; S262-R310 VanDerWaalsContact N-O 3.13Å
263	I	94.4	Very high	93.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	145.8	174.3	-171.4	164.7	0	0	0	110.7	I221 Q222 N223 D224 F250 N261 I265 Y291 R310 L311 S312	I221-I263 CarbonylContact O-C 3.3Å; I221-I263 WeakPolarHBondContact O-CA 3.37Å; Q222-I263 WeakPolarHBondContact O-CG1 3.31Å; N223-I263 HydrophobicContact CB-CG1 4.5Å; N223-I263 VanDerWaalsContact O-CD1 3.25Å; N223-I263 WeakPolarHBondContact O-CD1 3.3Å; N223-I263 WeakPolarHBondContact O-CG1 3.29Å; D224-I263 HydrophobicContact CB-CG1 4.44Å; F250-I263 HydrophobicContact CE1-CB 3.88Å; F250-I263 HydrophobicContact CE1-CG2 3.84Å; F250-I263 HydrophobicContact CZ-CB 4.1Å; F250-I263 HydrophobicContact CZ-CD1 3.97Å; F250-I263 HydrophobicContact CZ-CG2 3.88Å; N261-I263 VanDerWaalsContact C-N 3.33Å; I263-I265 HydrophobicContact CD1-CG1 4.43Å; I263-I265 HydrophobicContact CG1-CG1 4.29Å; I263-I265 HydrophobicContact CG2-CG1 4.44Å; I263-Y291 HydrophobicContact CD1-CD1 3.73Å; I263-Y291 HydrophobicContact CD1-CD2 3.5Å; I263-Y291 HydrophobicContact CD1-CE1 3.82Å; I263-Y291 HydrophobicContact CD1-CE2 3.57Å; I263-Y291 HydrophobicContact CD1-CG 3.59Å; I263-R310 PolarHBondContact N-O 3.49Å; I263-L311 HydrophobicContact CG2-CD2 3.21Å; I263-S312 PolarHBondContact O-N 3.12Å; I263-S312 PolarHBondContact O-OG 2.93Å
264	S	95.4	Very high	93.8	Very high	9 Å²	9	28.7 Å²	28.7	6%	0.063	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	98.9	168.6	-168.1	0	0	0	0	109.6	I221 Q222 S266 S312	I221-S264 PolarHBondContact O-N 2.94Å; Q222-S264 PolarHBondContact O-N 3.01Å; S264-S266 PolarHBondContact O-N 2.97Å; S264-S266 PolarHBondContact O-OG 3.28Å; S264-S312 CarbonylContact C-O 3.38Å; S264-S312 WeakPolarHBondContact CA-O 3.5Å
265	I	97.1	Very high	94.3	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	112.7	-176.6	-52.8	162.5	0	0	0	108.7	D224 I263 T284 N287 Y291 L311 S312 F313 F314	D224-I265 WeakPolarHBondContact OD2-CA 3.07Å; I263-I265 HydrophobicContact CD1-CG1 4.43Å; I263-I265 HydrophobicContact CG1-CG1 4.29Å; I263-I265 HydrophobicContact CG2-CG1 4.44Å; I265-T284 HydrophobicContact CG2-CG2 3.8Å; I265-T284 WeakPolarHBondContact CG2-O 3.48Å; I265-N287 HydrophobicContact CG2-CB 4.08Å; I265-Y291 HydrophobicContact CG1-CD2 4.05Å; I265-Y291 HydrophobicContact CG2-CD2 4.5Å; I265-L311 HydrophobicContact CD1-CD2 4.06Å; I265-S312 PolarHBondContact N-O 3.29Å; I265-F313 HydrophobicContact CB-CD1 3.94Å; I265-F313 HydrophobicContact CB-CE1 3.93Å; I265-F313 HydrophobicContact CB-CG 4.42Å; I265-F313 HydrophobicContact CB-CZ 4.4Å; I265-F313 HydrophobicContact CD1-CE1 3.99Å; I265-F313 HydrophobicContact CD1-CE2 3.96Å; I265-F313 HydrophobicContact CD1-CZ 3.62Å; I265-F313 HydrophobicContact CG2-CD1 4.21Å; I265-F313 HydrophobicContact CG2-CE1 3.93Å; I265-F313 CarbonylContact O-C 3.49Å; I265-F313 WeakPolarHBondContact O-CA 3.49Å; I265-F314 PolarHBondContact O-N 2.87Å
266	S	97.4	Very high	94.8	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	117	-156.3	-62.9	0	0	0	0	113.9	D224 S264 F314	D224-S266 PolarHBondContact OD2-N 2.8Å; S264-S266 PolarHBondContact O-N 2.97Å; S264-S266 PolarHBondContact O-OG 3.28Å; S266-F314 CarbonylContact C-O 3.6Å; S266-F314 WeakPolarHBondContact CA-O 3.19Å
267	G	97.9	Very high	95	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.			trans	-91.8	-25.7	167.6	0	0	0	0	0	114.6	H269 L270 Q271 E280 T284 F314	G267-H269 VanDerWaalsContact C-N 3.33Å; G267-H269 PolarHBondContact O-N 3.41Å; G267-H269 VanDerWaalsContact O-N 3.15Å; G267-L270 WeakPolarHBondContact O-CA 3.45Å; G267-L270 VanDerWaalsContact O-CB 3.25Å; G267-L270 WeakPolarHBondContact O-CB 3.46Å; G267-L270 PolarHBondContact O-N 3.44Å; G267-Q271 PolarHBondContact O-N 3.45Å; G267-E280 VanDerWaalsContact C-OE1 3.26Å; G267-E280 WeakPolarHBondContact O-CG 3.32Å; G267-T284 WeakPolarHBondContact CA-OG1 3.25Å; G267-T284 PolarHBondContact N-OG1 3Å; G267-F314 PolarHBondContact N-O 3.13Å
268	Y	98.3	Very high	95.3	Very high	24 Å²	24	17.2 Å²	17.2	9%	0.094	9%	0.091	C	C	.	.	H	α-helix	trans	-44	-54.9	-178.6	170.5	-103.5	0	0	0	113.3	L270 Q271 E272 F314 G316 Q358	Y268-L270 PolarHBondContact O-N 3.45Å; Y268-Q271 WeakPolarHBondContact O-CB 3.31Å; Y268-Q271 PolarHBondContact O-N 3.31Å; Y268-Q271 VanDerWaalsContact O-N 3.09Å; Y268-E272 HydrophobicContact CD1-CG 4.19Å; Y268-E272 HydrophobicContact CD2-CG 4.12Å; Y268-E272 HydrophobicContact CE1-CG 3.79Å; Y268-E272 HydrophobicContact CE2-CG 3.72Å; Y268-E272 HydrophobicContact CG-CG 4.35Å; Y268-E272 WeakPolarHBondContact O-CG 3.4Å; Y268-E272 PolarHBondContact O-N 2.91Å; Y268-F314 VanDerWaalsContact CB-CZ 3.44Å; Y268-F314 AromaticContact CD1-CE1 3.69Å; Y268-F314 HydrophobicContact CD1-CE1 3.69Å; Y268-F314 AromaticContact CD1-CZ 3.59Å; Y268-F314 HydrophobicContact CD1-CZ 3.59Å; Y268-F314 HydrophobicContact CD2-CE2 4.28Å; Y268-F314 AromaticContact CD2-CZ 3.96Å; Y268-F314 HydrophobicContact CD2-CZ 3.96Å; Y268-F314 HydrophobicContact CE1-CZ 4.33Å; Y268-F314 AromaticContact CG-CE1 3.76Å; Y268-F314 HydrophobicContact CG-CE1 3.76Å; Y268-F314 AromaticContact CG-CE2 3.96Å; Y268-F314 HydrophobicContact CG-CE2 3.96Å; Y268-F314 AromaticContact CG-CZ 3.38Å; Y268-F314 HydrophobicContact CG-CZ 3.38Å; Y268-F314 PolarHBondContact N-O 3.26Å; Y268-F314 VanDerWaalsContact N-O 3.12Å; Y268-G316 VanDerWaalsContact CA-N 3.33Å; Y268-Q358 HydrophobicContact CD2-CB 3.89Å; Y268-Q358 HydrophobicContact CD2-CG 4.24Å; Y268-Q358 HydrophobicContact CE2-CB 3.83Å; Y268-Q358 HydrophobicContact CE2-CG 3.65Å; Y268-Q358 PolarHBondContact OH-NE2 3.15Å
269	H	97.4	Very high	95.8	Very high	21 Å²	21	14.5 Å²	14.5	10%	0.097	7%	0.073	C	C	.	.	H	α-helix	trans	-65	-28.2	-177.5	-42.5	85.5	0	0	0	113.1	Q222 K227 V231 R232 G267 A273 F314	Q222-H269 PolarHBondContact NE2-CE1 3.18Å; Q222-H269 VanDerWaalsContact NE2-CE1 3.28Å; K227-H269 HydrophobicContact CD-CB 4.26Å; K227-H269 WeakPolarHBondContact CD-ND1 3.48Å; K227-H269 WeakPolarHBondContact CE-ND1 3.19Å; V231-H269 HydrophobicContact CG2-CB 3.78Å; V231-H269 WeakPolarHBondContact CG2-O 3.39Å; R232-H269 HydrophobicContact CB-CB 4.43Å; R232-H269 WeakPolarHBondContact CD-CD2 3.03Å; R232-H269 PolarHBondContact NE-CD2 3.15Å; R232-H269 PolarHBondContact NE-NE2 2.96Å; G267-H269 VanDerWaalsContact C-N 3.33Å; G267-H269 PolarHBondContact O-N 3.41Å; G267-H269 VanDerWaalsContact O-N 3.15Å; H269-A273 WeakPolarHBondContact O-CB 3.48Å; H269-A273 PolarHBondContact O-N 3.39Å; H269-F314 AromaticContact CE1-CD1 3.91Å; H269-F314 AromaticContact CE1-CE1 3.7Å
270	L	98.2	Very high	96.3	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-66.3	-46.1	174.9	-52.9	176.4	0	0	0	109.3	K227 M230 V231 G267 Y268 A273 G274 A275 Y283 I474	K227-L270 HydrophobicContact CB-CD2 4.42Å; M230-L270 HydrophobicContact CB-CD2 4.2Å; M230-L270 HydrophobicContact CE-CD2 4.03Å; M230-L270 HydrophobicContact SD-CD2 4.11Å; V231-L270 HydrophobicContact CG1-CD2 3.95Å; V231-L270 HydrophobicContact CG2-CD2 3.73Å; G267-L270 WeakPolarHBondContact O-CA 3.45Å; G267-L270 VanDerWaalsContact O-CB 3.25Å; G267-L270 WeakPolarHBondContact O-CB 3.46Å; G267-L270 PolarHBondContact O-N 3.44Å; Y268-L270 PolarHBondContact O-N 3.45Å; L270-A273 PolarHBondContact O-N 3.08Å; L270-G274 PolarHBondContact O-N 2.94Å; L270-A275 VanDerWaalsContact C-CB 3.47Å; L270-A275 HydrophobicContact CB-CB 3.93Å; L270-A275 WeakPolarHBondContact O-CB 3.46Å; L270-A275 PolarHBondContact O-N 3.16Å; L270-Y283 HydrophobicContact CD1-CD2 4.45Å; L270-I474 HydrophobicContact CB-CD1 4.31Å; L270-I474 HydrophobicContact CD2-CD1 3.83Å
271	Q	98.3	Very high	96.7	Very high	12 Å²	12	8.6 Å²	8.6	6%	0.056	5%	0.047	C	C	.	.	H	α-helix	trans	-62.1	-45.6	176.1	-174.9	175.6	22	0	0	111.7	G267 Y268 A273 G274 G316 E324	G267-Q271 PolarHBondContact O-N 3.45Å; Y268-Q271 WeakPolarHBondContact O-CB 3.31Å; Y268-Q271 PolarHBondContact O-N 3.31Å; Y268-Q271 VanDerWaalsContact O-N 3.09Å; Q271-A273 PolarHBondContact O-N 3.08Å; Q271-G274 WeakPolarHBondContact O-CA 3.44Å; Q271-G274 PolarHBondContact O-N 3.05Å; Q271-G316 PolarHBondContact OE1-O 3.37Å; Q271-E324 PolarHBondContact NE2-OE1 3.45Å
272	E	97.1	Very high	97.1	Very high	33 Å²	33	7.2 Å²	7.2	15%	0.154	4%	0.04	C	C	.	.	H	α-helix	trans	-61.9	-32.3	178.3	-64.1	-57.7	98.9	0	0	112.3	Y268 G274 S360 G361 W362 R638	Y268-E272 HydrophobicContact CD1-CG 4.19Å; Y268-E272 HydrophobicContact CD2-CG 4.12Å; Y268-E272 HydrophobicContact CE1-CG 3.79Å; Y268-E272 HydrophobicContact CE2-CG 3.72Å; Y268-E272 HydrophobicContact CG-CG 4.35Å; Y268-E272 WeakPolarHBondContact O-CG 3.4Å; Y268-E272 PolarHBondContact O-N 2.91Å; E272-G274 VanDerWaalsContact C-N 3.29Å; E272-S360 WeakPolarHBondContact OE1-CA 3.48Å; E272-S360 WeakPolarHBondContact OE1-CB 3.42Å; E272-S360 PolarHBondContact OE1-OG 3.1Å; E272-G361 VanDerWaalsContact OE2-CA 3.28Å; E272-G361 WeakPolarHBondContact OE2-CA 3.11Å; E272-G361 PolarHBondContact OE2-N 3.06Å; E272-W362 PolarHBondContact OE2-N 3.44Å; E272-R638 VanDerWaalsContact O-CD 3.27Å; E272-R638 WeakPolarHBondContact O-CD 3.49Å; E272-R638 PolarHBondContact O-NH1 3.4Å
273	A	96.7	Very high	97.5	Very high	15 Å²	15	7.3 Å²	7.3	12%	0.124	4%	0.04	C	C	.	.	H	α-helix	trans	-76.9	-12.9	173.5	0	0	0	0	0	113.9	V231 H269 L270 Q271 I474 A478 R638	V231-A273 HydrophobicContact CB-CB 3.64Å; V231-A273 HydrophobicContact CG1-CB 3.5Å; V231-A273 HydrophobicContact CG2-CB 4.5Å; H269-A273 WeakPolarHBondContact O-CB 3.48Å; H269-A273 PolarHBondContact O-N 3.39Å; L270-A273 PolarHBondContact O-N 3.08Å; Q271-A273 PolarHBondContact O-N 3.08Å; A273-I474 HydrophobicContact CB-CG2 3.82Å; A273-A478 WeakPolarHBondContact O-CB 3.46Å; A273-R638 WeakPolarHBondContact O-CD 3.04Å
274	G	96.3	Very high	97.7	Very high	5 Å²	5	7.3 Å²	7.3	5%	0.052	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	120.7	5.2	172.9	0	0	0	0	0	115.5	L270 Q271 E272 D276 C477	L270-G274 PolarHBondContact O-N 2.94Å; Q271-G274 WeakPolarHBondContact O-CA 3.44Å; Q271-G274 PolarHBondContact O-N 3.05Å; E272-G274 VanDerWaalsContact C-N 3.29Å; G274-D276 PolarHBondContact O-N 3.18Å; G274-C477 WeakPolarHBondContact O-CB 3.4Å
275	A	97.7	Very high	97.8	Very high	4 Å²	4	6.9 Å²	6.9	3%	0.033	4%	0.037	C	C	.	.			trans	-61.1	135.9	173.2	0	0	0	0	0	110	L270 L279 I474	L270-A275 VanDerWaalsContact C-CB 3.47Å; L270-A275 HydrophobicContact CB-CB 3.93Å; L270-A275 WeakPolarHBondContact O-CB 3.46Å; L270-A275 PolarHBondContact O-N 3.16Å; A275-L279 HydrophobicContact CB-CB 4.12Å; A275-I474 HydrophobicContact CB-CD1 4.39Å; A275-I474 HydrophobicContact CB-CG1 3.96Å; A275-I474 HydrophobicContact CB-CG2 4.38Å
276	D	97.5	Very high	97.8	Very high	21 Å²	21	6.9 Å²	6.9	11%	0.112	4%	0.037	C	C	.	.			trans	-72.9	173	165.8	62.1	61.8	0	0	0	111.2	E69 G274 I278 L279 E280 C477	E69-D276 HydrophobicContact CG-CB 4.01Å; G274-D276 PolarHBondContact O-N 3.18Å; D276-I278 PolarHBondContact O-N 3.28Å; D276-I278 WeakPolarHBondContact OD1-CA 3.41Å; D276-I278 WeakPolarHBondContact OD1-CB 3.42Å; D276-I278 PolarHBondContact OD1-N 2.97Å; D276-L279 PolarHBondContact O-N 3.11Å; D276-L279 PolarHBondContact OD1-N 3.38Å; D276-E280 WeakPolarHBondContact O-CB 3.44Å; D276-E280 PolarHBondContact O-N 3.11Å; D276-C477 PolarHBondContact OD2-SG 2.86Å; D276-C477 VanDerWaalsContact OD2-SG 3.37Å
277	A	97.9	Very high	97.8	Very high	2 Å²	2	6.9 Å²	6.9	2%	0.017	4%	0.037	C	C	.	.	H	α-helix	trans	-61.2	-29.8	-175.7	0	0	0	0	0	113.6	E69 V281 M323 K327	E69-A277 HydrophobicContact CG-CB 4.12Å; A277-V281 WeakPolarHBondContact O-CG2 3.2Å; A277-V281 PolarHBondContact O-N 3.15Å; A277-V281 VanDerWaalsContact O-N 3.12Å; A277-M323 HydrophobicContact CB-CG 3.57Å; A277-M323 HydrophobicContact CB-SD 4.3Å; A277-K327 HydrophobicContact CB-CD 3.99Å; A277-K327 HydrophobicContact CB-CG 4.37Å
278	I	98.2	Very high	97.7	Very high	1 Å²	1	6.9 Å²	6.9	1%	0.005	4%	0.037	C	C	.	.	H	α-helix	trans	-73.6	-49.1	-179.2	-57.2	-56	0	0	0	110.2	E69 L71 D276 E280 V281 A282 V444 T447 A448 F451	E69-I278 HydrophobicContact CB-CG1 3.77Å; E69-I278 HydrophobicContact CG-CG1 3.92Å; L71-I278 HydrophobicContact CD1-CD1 4.1Å; D276-I278 PolarHBondContact O-N 3.28Å; D276-I278 WeakPolarHBondContact OD1-CA 3.41Å; D276-I278 WeakPolarHBondContact OD1-CB 3.42Å; D276-I278 PolarHBondContact OD1-N 2.97Å; I278-E280 VanDerWaalsContact C-N 3.3Å; I278-E280 PolarHBondContact O-N 2.95Å; I278-V281 PolarHBondContact O-N 2.96Å; I278-A282 WeakPolarHBondContact O-CB 3.41Å; I278-A282 PolarHBondContact O-N 3.14Å; I278-V444 HydrophobicContact CD1-CB 4.11Å; I278-V444 HydrophobicContact CD1-CG1 3.95Å; I278-V444 HydrophobicContact CD1-CG2 3.97Å; I278-T447 HydrophobicContact CG1-CG2 4.42Å; I278-T447 HydrophobicContact CG2-CG2 3.74Å; I278-A448 HydrophobicContact CG2-CB 4.43Å; I278-F451 HydrophobicContact CG2-CD2 3.57Å; I278-F451 HydrophobicContact CG2-CE2 3.67Å
279	L	97.7	Very high	97.6	Very high	3 Å²	3	5.8 Å²	5.8	2%	0.016	3%	0.033	C	C	.	.	H	α-helix	trans	-62.8	-39.9	177	-66	-174	0	0	0	111.3	A275 D276 A282 Y283 F451 R473	A275-L279 HydrophobicContact CB-CB 4.12Å; D276-L279 PolarHBondContact O-N 3.11Å; D276-L279 PolarHBondContact OD1-N 3.38Å; L279-A282 PolarHBondContact O-N 2.95Å; L279-Y283 HydrophobicContact CB-CD2 4.4Å; L279-Y283 HydrophobicContact CB-CE2 4.13Å; L279-Y283 HydrophobicContact CD2-CE1 4.39Å; L279-Y283 HydrophobicContact CD2-CE2 4.33Å; L279-Y283 VanDerWaalsContact O-CB 3.3Å; L279-Y283 WeakPolarHBondContact O-CB 3.42Å; L279-Y283 WeakPolarHBondContact O-CD2 3.38Å; L279-Y283 VanDerWaalsContact O-CG 3.27Å; L279-Y283 PolarHBondContact O-N 3.46Å; L279-F451 HydrophobicContact CD2-CE2 4.44Å; L279-F451 HydrophobicContact CD2-CZ 4.41Å; L279-R473 HydrophobicContact CD1-CB 4.3Å
280	E	98.6	Very high	97.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-57.3	-51	175.1	-169.1	-171.2	172.9	0	0	110.9	G267 D276 I278 T284 W315 G316 K327	G267-E280 VanDerWaalsContact C-OE1 3.26Å; G267-E280 WeakPolarHBondContact O-CG 3.32Å; D276-E280 WeakPolarHBondContact O-CB 3.44Å; D276-E280 PolarHBondContact O-N 3.11Å; I278-E280 VanDerWaalsContact C-N 3.3Å; I278-E280 PolarHBondContact O-N 2.95Å; E280-T284 WeakPolarHBondContact O-CB 3.32Å; E280-T284 PolarHBondContact O-N 2.81Å; E280-T284 VanDerWaalsContact O-N 3.08Å; E280-T284 PolarHBondContact O-OG1 3.24Å; E280-W315 HydrophobicContact CG-CE3 3.95Å; E280-W315 HydrophobicContact CG-CZ3 4.03Å; E280-G316 PolarHBondContact OE1-N 3.23Å; E280-K327 VanDerWaalsContact CD-NZ 3.32Å; E280-K327 IonicContact OE1-NZ 3.82Å; E280-K327 PolarHBondContact OE1-NZ 2.99Å; E280-K327 WeakPolarHBondContact OE2-CD 3.31Å; E280-K327 IonicContact OE2-NZ 3.17Å; E280-K327 PolarHBondContact OE2-NZ 2.85Å
281	V	98.5	Very high	97.3	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.006	3%	0.032	C	C	.	.	H	α-helix	trans	-63	-51.1	178.6	172.3	0	0	0	0	111.2	A277 I278 Y283 T284 I285 W315 K327 A331 L334 A448	A277-V281 WeakPolarHBondContact O-CG2 3.2Å; A277-V281 PolarHBondContact O-N 3.15Å; A277-V281 VanDerWaalsContact O-N 3.12Å; I278-V281 PolarHBondContact O-N 2.96Å; V281-Y283 PolarHBondContact O-N 2.69Å; V281-T284 PolarHBondContact O-N 3.16Å; V281-I285 HydrophobicContact CG1-CG1 4.21Å; V281-I285 WeakPolarHBondContact O-CB 3.43Å; V281-I285 VanDerWaalsContact O-CG1 3.22Å; V281-I285 WeakPolarHBondContact O-CG1 2.98Å; V281-I285 PolarHBondContact O-N 3.43Å; V281-W315 HydrophobicContact CG2-CH2 4.33Å; V281-W315 HydrophobicContact CG2-CZ3 4.25Å; V281-K327 HydrophobicContact CG2-CB 4.47Å; V281-K327 HydrophobicContact CG2-CD 4Å; V281-K327 HydrophobicContact CG2-CG 3.24Å; V281-A331 HydrophobicContact CG1-CB 4.24Å; V281-A331 HydrophobicContact CG2-CB 4.35Å; V281-L334 HydrophobicContact CG1-CD2 3.77Å; V281-A448 HydrophobicContact CB-CB 4.13Å; V281-A448 HydrophobicContact CG1-CB 3.7Å
282	A	98.3	Very high	97	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-59.4	-50.8	-174.6	0	0	0	0	0	111.7	I278 L279 A286 A448 F451 I452	I278-A282 WeakPolarHBondContact O-CB 3.41Å; I278-A282 PolarHBondContact O-N 3.14Å; L279-A282 PolarHBondContact O-N 2.95Å; A282-A286 VanDerWaalsContact O-CB 3.24Å; A282-A286 WeakPolarHBondContact O-CB 3.28Å; A282-A286 PolarHBondContact O-N 2.93Å; A282-A448 HydrophobicContact CB-CB 4.41Å; A282-F451 HydrophobicContact CB-CB 3.63Å; A282-I452 HydrophobicContact CB-CG1 4.08Å; A282-I452 WeakPolarHBondContact O-CG1 3.42Å
283	Y	98.3	Very high	96.8	Very high	3 Å²	3	6.6 Å²	6.6	1%	0.012	3%	0.034	C	C	.	.	H	α-helix	trans	-70.3	-37.1	-177.5	-64.8	-13.7	0	0	0	112.7	L270 L279 V281 A286 N287 I455 M461 P470 R473 I474	L270-Y283 HydrophobicContact CD1-CD2 4.45Å; L279-Y283 HydrophobicContact CB-CD2 4.4Å; L279-Y283 HydrophobicContact CB-CE2 4.13Å; L279-Y283 HydrophobicContact CD2-CE1 4.39Å; L279-Y283 HydrophobicContact CD2-CE2 4.33Å; L279-Y283 VanDerWaalsContact O-CB 3.3Å; L279-Y283 WeakPolarHBondContact O-CB 3.42Å; L279-Y283 WeakPolarHBondContact O-CD2 3.38Å; L279-Y283 VanDerWaalsContact O-CG 3.27Å; L279-Y283 PolarHBondContact O-N 3.46Å; V281-Y283 PolarHBondContact O-N 2.69Å; Y283-A286 PolarHBondContact O-N 3.23Å; Y283-N287 WeakPolarHBondContact O-CB 3.49Å; Y283-N287 VanDerWaalsContact O-CG 3.27Å; Y283-N287 PolarHBondContact O-N 3.27Å; Y283-I455 HydrophobicContact CD1-CD1 3.56Å; Y283-I455 HydrophobicContact CE1-CD1 3.77Å; Y283-M461 HydrophobicContact CD1-CE 3.86Å; Y283-M461 HydrophobicContact CD1-SD 4.46Å; Y283-M461 HydrophobicContact CD2-CE 4.4Å; Y283-M461 HydrophobicContact CG-CE 3.73Å; Y283-P470 HydrophobicContact CD2-CB 4.14Å; Y283-P470 HydrophobicContact CE1-CB 4.4Å; Y283-P470 HydrophobicContact CE2-CB 3.77Å; Y283-R473 VanDerWaalsContact OH-CD 3.24Å; Y283-R473 WeakPolarHBondContact OH-CD 3.28Å; Y283-I474 HydrophobicContact CD2-CD1 4.07Å; Y283-I474 HydrophobicContact CD2-CG1 4.44Å; Y283-I474 HydrophobicContact CE2-CD1 4.04Å; Y283-I474 HydrophobicContact CE2-CG1 3.99Å
284	T	98.5	Very high	96.5	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-68.1	-42.6	178.6	-55.8	0	0	0	0	111.1	I265 G267 E280 V281 N287 G288 F313 W315	I265-T284 HydrophobicContact CG2-CG2 3.8Å; I265-T284 WeakPolarHBondContact CG2-O 3.48Å; G267-T284 WeakPolarHBondContact CA-OG1 3.25Å; G267-T284 PolarHBondContact N-OG1 3Å; E280-T284 WeakPolarHBondContact O-CB 3.32Å; E280-T284 PolarHBondContact O-N 2.81Å; E280-T284 VanDerWaalsContact O-N 3.08Å; E280-T284 PolarHBondContact O-OG1 3.24Å; V281-T284 PolarHBondContact O-N 3.16Å; T284-N287 WeakPolarHBondContact O-CB 3.38Å; T284-N287 PolarHBondContact O-N 3.21Å; T284-G288 PolarHBondContact O-N 3.29Å; T284-F313 HydrophobicContact CG2-CD1 3.84Å; T284-F313 HydrophobicContact CG2-CE1 4.2Å; T284-W315 VanDerWaalsContact CB-CZ3 3.5Å; T284-W315 HydrophobicContact CG2-CE3 4.42Å; T284-W315 HydrophobicContact CG2-CH2 3.59Å; T284-W315 HydrophobicContact CG2-CZ2 4.23Å; T284-W315 HydrophobicContact CG2-CZ3 3.7Å
285	I	98.1	Very high	96.1	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-67.2	-42.5	176.1	-64.3	-67.1	0	0	0	110.6	V281 N287 G288 L289 F313 L334 W335 L338 L353 I452	V281-I285 HydrophobicContact CG1-CG1 4.21Å; V281-I285 WeakPolarHBondContact O-CB 3.43Å; V281-I285 VanDerWaalsContact O-CG1 3.22Å; V281-I285 WeakPolarHBondContact O-CG1 2.98Å; V281-I285 PolarHBondContact O-N 3.43Å; I285-N287 PolarHBondContact O-N 3.31Å; I285-G288 WeakPolarHBondContact O-CA 3.28Å; I285-G288 PolarHBondContact O-N 2.91Å; I285-L289 PolarHBondContact O-N 3.33Å; I285-F313 HydrophobicContact CD1-CE1 3.93Å; I285-F313 HydrophobicContact CD1-CZ 4.37Å; I285-L334 HydrophobicContact CG1-CD2 4.39Å; I285-W335 HydrophobicContact CD1-CB 3.93Å; I285-W335 HydrophobicContact CD1-CE3 4.03Å; I285-W335 HydrophobicContact CG2-CE3 4.35Å; I285-L338 HydrophobicContact CG2-CD1 3.6Å; I285-L353 HydrophobicContact CD1-CD1 3.98Å; I285-I452 HydrophobicContact CB-CD1 3.85Å; I285-I452 HydrophobicContact CG2-CD1 3.66Å
286	A	97.9	Very high	95.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-62.4	-40.6	176.3	0	0	0	0	0	112.7	A282 Y283 G288 L289 E290 I455 M461	A282-A286 VanDerWaalsContact O-CB 3.24Å; A282-A286 WeakPolarHBondContact O-CB 3.28Å; A282-A286 PolarHBondContact O-N 2.93Å; Y283-A286 PolarHBondContact O-N 3.23Å; A286-G288 VanDerWaalsContact C-N 3.29Å; A286-G288 PolarHBondContact O-N 3.22Å; A286-L289 PolarHBondContact O-N 3.15Å; A286-E290 PolarHBondContact O-N 3.17Å; A286-E290 VanDerWaalsContact O-N 3.12Å; A286-I455 HydrophobicContact CB-CD1 4.04Å; A286-I455 HydrophobicContact CB-CG2 4.08Å; A286-M461 HydrophobicContact CB-CB 4.1Å; A286-M461 HydrophobicContact CB-CG 4.18Å; A286-M461 HydrophobicContact CB-SD 4.23Å
287	N	97.2	Very high	95.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-55.6	-46.4	169.1	-80.2	-7.2	0	0	0	110.7	L226 M230 I265 Y283 T284 I285 L289 E290 Y291 M461	L226-N287 WeakPolarHBondContact CB-OD1 3.32Å; L226-N287 HydrophobicContact CD1-CB 4.22Å; M230-N287 VanDerWaalsContact CE-ND2 3.28Å; M230-N287 WeakPolarHBondContact CE-ND2 3.21Å; I265-N287 HydrophobicContact CG2-CB 4.08Å; Y283-N287 WeakPolarHBondContact O-CB 3.49Å; Y283-N287 VanDerWaalsContact O-CG 3.27Å; Y283-N287 PolarHBondContact O-N 3.27Å; T284-N287 WeakPolarHBondContact O-CB 3.38Å; T284-N287 PolarHBondContact O-N 3.21Å; I285-N287 PolarHBondContact O-N 3.31Å; N287-L289 VanDerWaalsContact C-N 3.33Å; N287-L289 PolarHBondContact O-N 2.9Å; N287-E290 WeakPolarHBondContact O-CB 3.15Å; N287-E290 PolarHBondContact O-N 3.31Å; N287-E290 VanDerWaalsContact O-N 3.13Å; N287-Y291 HydrophobicContact CB-CD2 4.39Å; N287-Y291 HydrophobicContact CB-CE2 4Å; N287-Y291 WeakPolarHBondContact O-CD2 3.39Å; N287-Y291 PolarHBondContact O-N 2.78Å; N287-M461 WeakPolarHBondContact OD1-CG 3.21Å
288	G	95.4	Very high	94.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-57.9	-41.6	177.5	0	0	0	0	0	113.6	T284 I285 A286 E290 Y291 C292	T284-G288 PolarHBondContact O-N 3.29Å; I285-G288 WeakPolarHBondContact O-CA 3.28Å; I285-G288 PolarHBondContact O-N 2.91Å; A286-G288 VanDerWaalsContact C-N 3.29Å; A286-G288 PolarHBondContact O-N 3.22Å; G288-E290 VanDerWaalsContact C-N 3.34Å; G288-E290 PolarHBondContact O-N 2.86Å; G288-Y291 PolarHBondContact O-N 3.47Å; G288-C292 PolarHBondContact O-N 3.03Å; G288-C292 PolarHBondContact O-SG 2.99Å; G288-C292 VanDerWaalsContact O-SG 3.34Å
289	L	95.3	Very high	93.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.4	-40.9	174.6	-61.9	179.1	0	0	0	111.8	I285 A286 N287 C292 R293 L338 I339 F343 I452	I285-L289 PolarHBondContact O-N 3.33Å; A286-L289 PolarHBondContact O-N 3.15Å; N287-L289 VanDerWaalsContact C-N 3.33Å; N287-L289 PolarHBondContact O-N 2.9Å; L289-C292 WeakPolarHBondContact O-CB 3.47Å; L289-C292 PolarHBondContact O-N 2.54Å; L289-R293 WeakPolarHBondContact O-CG 3.15Å; L289-R293 PolarHBondContact O-N 3.42Å; L289-L338 HydrophobicContact CD1-CD1 4.44Å; L289-L338 HydrophobicContact CD2-CB 4.22Å; L289-I339 HydrophobicContact CD2-CD1 4.07Å; L289-F343 HydrophobicContact CD2-CE2 3.87Å; L289-I452 HydrophobicContact CD1-CG2 4.2Å
290	E	95.3	Very high	92.9	Very high	19 Å²	19	22.3 Å²	22.3	9%	0.089	13%	0.126	C	C	.	.	H	α-helix	trans	-66.4	-37.4	177.2	-156.6	61.1	-147.5	0	0	112	L226 A286 N287 G288 R293 T294 A462	L226-E290 HydrophobicContact CD1-CB 3.98Å; L226-E290 HydrophobicContact CD1-CG 4.15Å; A286-E290 PolarHBondContact O-N 3.17Å; A286-E290 VanDerWaalsContact O-N 3.12Å; N287-E290 WeakPolarHBondContact O-CB 3.15Å; N287-E290 PolarHBondContact O-N 3.31Å; N287-E290 VanDerWaalsContact O-N 3.13Å; G288-E290 VanDerWaalsContact C-N 3.34Å; G288-E290 PolarHBondContact O-N 2.86Å; E290-R293 WeakPolarHBondContact O-CB 3.22Å; E290-R293 PolarHBondContact O-N 3.47Å; E290-R293 IonicContact OE2-CZ 3.79Å; E290-R293 IonicContact OE2-NH1 3.64Å; E290-R293 PolarHBondContact OE2-NH1 2.74Å; E290-T294 WeakPolarHBondContact O-CB 3.48Å; E290-T294 PolarHBondContact O-N 3.4Å; E290-T294 PolarHBondContact O-OG1 3.08Å; E290-A462 HydrophobicContact CG-CB 3.91Å
291	Y	94.4	Very high	92.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-68.1	-37.7	173	-66.4	-51	0	0	0	112.6	D224 I225 L226 M243 I246 I263 I265 N287 G288 T294 G295	D224-Y291 WeakPolarHBondContact CA-OH 3.24Å; D224-Y291 WeakPolarHBondContact OD1-CE2 3.3Å; D224-Y291 PolarHBondContact OD1-OH 3.24Å; I225-Y291 PolarHBondContact N-OH 3.17Å; L226-Y291 WeakPolarHBondContact CB-OH 3.33Å; L226-Y291 HydrophobicContact CD1-CE1 4.14Å; L226-Y291 HydrophobicContact CD1-CE2 4.25Å; L226-Y291 HydrophobicContact CG-CE1 4.25Å; L226-Y291 WeakPolarHBondContact CG-OH 3.23Å; L226-Y291 PolarHBondContact N-OH 3.3Å; M243-Y291 HydrophobicContact CE-CD1 3.66Å; M243-Y291 HydrophobicContact CE-CE1 3.62Å; M243-Y291 HydrophobicContact SD-CD1 4.48Å; M243-Y291 HydrophobicContact SD-CE1 3.85Å; I246-Y291 HydrophobicContact CD1-CD1 4.41Å; I246-Y291 HydrophobicContact CD1-CE1 3.64Å; I246-Y291 HydrophobicContact CG2-CD1 4.29Å; I263-Y291 HydrophobicContact CD1-CD1 3.73Å; I263-Y291 HydrophobicContact CD1-CD2 3.5Å; I263-Y291 HydrophobicContact CD1-CE1 3.82Å; I263-Y291 HydrophobicContact CD1-CE2 3.57Å; I263-Y291 HydrophobicContact CD1-CG 3.59Å; I265-Y291 HydrophobicContact CG1-CD2 4.05Å; I265-Y291 HydrophobicContact CG2-CD2 4.5Å; N287-Y291 HydrophobicContact CB-CD2 4.39Å; N287-Y291 HydrophobicContact CB-CE2 4Å; N287-Y291 WeakPolarHBondContact O-CD2 3.39Å; N287-Y291 PolarHBondContact O-N 2.78Å; G288-Y291 PolarHBondContact O-N 3.47Å; Y291-T294 WeakPolarHBondContact O-CB 3.47Å; Y291-T294 PolarHBondContact O-N 3.48Å; Y291-G295 PolarHBondContact O-N 3.43Å
292	C	92.7	Very high	91.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.6	-47.7	170.3	-71.5	0	0	0	0	111.3	G288 L289 T294 G295 L296 I302 F305 F343	G288-C292 PolarHBondContact O-N 3.03Å; G288-C292 PolarHBondContact O-SG 2.99Å; G288-C292 VanDerWaalsContact O-SG 3.34Å; L289-C292 WeakPolarHBondContact O-CB 3.47Å; L289-C292 PolarHBondContact O-N 2.54Å; C292-T294 VanDerWaalsContact C-N 3.25Å; C292-T294 PolarHBondContact O-N 2.86Å; C292-G295 PolarHBondContact O-N 3.47Å; C292-L296 WeakPolarHBondContact O-CG 3.36Å; C292-L296 PolarHBondContact O-N 2.63Å; C292-I302 HydrophobicContact CB-CD1 4.27Å; C292-F305 HydrophobicContact CB-CE1 4.3Å; C292-F343 HydrophobicContact CB-CE1 4.15Å; C292-F343 HydrophobicContact CB-CE2 3.81Å; C292-F343 HydrophobicContact CB-CZ 3.59Å
293	R	92.4	Very high	90.9	Very high	65 Å²	65	28.3 Å²	28.3	25%	0.245	16%	0.161	C	C	.	.	H	α-helix	trans	-58.3	-39	174.4	-68.6	172	-178.2	134.4	6.6	112.2	L289 E290 L296 K297 F343 E456	L289-R293 WeakPolarHBondContact O-CG 3.15Å; L289-R293 PolarHBondContact O-N 3.42Å; E290-R293 WeakPolarHBondContact O-CB 3.22Å; E290-R293 PolarHBondContact O-N 3.47Å; E290-R293 IonicContact OE2-CZ 3.79Å; E290-R293 IonicContact OE2-NH1 3.64Å; E290-R293 PolarHBondContact OE2-NH1 2.74Å; R293-L296 PolarHBondContact O-N 3.44Å; R293-K297 WeakPolarHBondContact O-CG 3.35Å; R293-K297 PolarHBondContact O-N 3.21Å; R293-F343 HydrophobicContact CG-CE1 4.48Å; R293-F343 HydrophobicContact CG-CZ 4.44Å; R293-E456 IonicContact CZ-OE1 3.8Å; R293-E456 IonicContact CZ-OE2 3.95Å; R293-E456 IonicContact NH1-OE1 2.75Å; R293-E456 PolarHBondContact NH1-OE1 2.78Å; R293-E456 IonicContact NH1-OE2 3.83Å; R293-E456 IonicContact NH2-OE1 3.69Å; R293-E456 PolarHBondContact NH2-OE1 2.86Å; R293-E456 IonicContact NH2-OE2 2.78Å; R293-E456 PolarHBondContact NH2-OE2 2.87Å
294	T	90.6	Very high	89.8	Confident	13 Å²	13	33.4 Å²	33.4	8%	0.08	19%	0.185	C	C	.	.	H	α-helix	trans	-65.5	-43.6	178.1	-58.2	0	0	0	0	111.4	M243 A247 E290 Y291 C292 L296 K297 A298	M243-T294 HydrophobicContact CE-CG2 4.22Å; M243-T294 WeakPolarHBondContact CE-OG1 3.29Å; A247-T294 HydrophobicContact CB-CG2 3.91Å; E290-T294 WeakPolarHBondContact O-CB 3.48Å; E290-T294 PolarHBondContact O-N 3.4Å; E290-T294 PolarHBondContact O-OG1 3.08Å; Y291-T294 WeakPolarHBondContact O-CB 3.47Å; Y291-T294 PolarHBondContact O-N 3.48Å; C292-T294 VanDerWaalsContact C-N 3.25Å; C292-T294 PolarHBondContact O-N 2.86Å; T294-L296 PolarHBondContact O-N 3.28Å; T294-K297 PolarHBondContact O-N 3.48Å; T294-A298 PolarHBondContact O-N 3.4Å
295	G	88.7	Confident	88.5	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.7	-43.5	173	0	0	0	0	0	112.7	Y291 C292 A298 L300	Y291-G295 PolarHBondContact O-N 3.43Å; C292-G295 PolarHBondContact O-N 3.47Å; G295-A298 WeakPolarHBondContact O-CB 3.34Å; G295-A298 PolarHBondContact O-N 2.97Å; G295-A298 VanDerWaalsContact O-N 3.16Å; G295-L300 WeakPolarHBondContact O-CB 3.26Å; G295-L300 PolarHBondContact O-N 3.01Å
296	L	89.2	Confident	86.6	Confident	71 Å²	71	34 Å²	34	37%	0.372	19%	0.189	S	C	.	.	H	α-helix	trans	-63.4	-42.4	176.1	-64.6	179.4	0	0	0	112.4	C292 R293 T294 A298 G299 L300 F343	C292-L296 WeakPolarHBondContact O-CG 3.36Å; C292-L296 PolarHBondContact O-N 2.63Å; R293-L296 PolarHBondContact O-N 3.44Å; T294-L296 PolarHBondContact O-N 3.28Å; L296-A298 PolarHBondContact O-N 3.43Å; L296-G299 PolarHBondContact O-N 2.76Å; L296-L300 WeakPolarHBondContact CA-O 3.5Å; L296-L300 VanDerWaalsContact CD2-O 3.22Å; L296-L300 WeakPolarHBondContact CD2-O 3.24Å; L296-F343 HydrophobicContact CD1-CD1 3.66Å; L296-F343 HydrophobicContact CD1-CE1 3.72Å
297	K	85.9	Confident	84.5	Confident	170 Å²	170	34.7 Å²	34.7	74%	0.739	19%	0.193	S	C	*	.	H	α-helix	trans	-62.5	-28.3	174.9	-74.8	173.3	-178.4	175.3	0	112.5	R293 T294 G299	R293-K297 WeakPolarHBondContact O-CG 3.35Å; R293-K297 PolarHBondContact O-N 3.21Å; T294-K297 PolarHBondContact O-N 3.48Å; K297-G299 PolarHBondContact O-N 2.67Å
298	A	79.6	Confident	82.1	Confident	39 Å²	39	38.1 Å²	38.1	32%	0.322	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	1.7	174	0	0	0	0	0	113.6	A247 T294 G295 L296	A247-A298 HydrophobicContact CB-CB 4Å; T294-A298 PolarHBondContact O-N 3.4Å; G295-A298 WeakPolarHBondContact O-CB 3.34Å; G295-A298 PolarHBondContact O-N 2.97Å; G295-A298 VanDerWaalsContact O-N 3.16Å; L296-A298 PolarHBondContact O-N 3.43Å
299	G	83.3	Confident	79.9	Confident	65 Å²	65	39.4 Å²	39.4	67%	0.67	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.8	9.3	179.6	0	0	0	0	0	114.8	L296 K297	L296-G299 PolarHBondContact O-N 2.76Å; K297-G299 PolarHBondContact O-N 2.67Å
300	L	83.3	Confident	78.7	Confident	22 Å²	22	39.9 Å²	39.9	12%	0.115	22%	0.222	C	C	.	.			trans	-84.8	142.2	173.8	-55.7	173.1	0	0	0	109.9	F250 G295 L296 F305	F250-L300 HydrophobicContact CB-CD1 3.82Å; G295-L300 WeakPolarHBondContact O-CB 3.26Å; G295-L300 PolarHBondContact O-N 3.01Å; L296-L300 WeakPolarHBondContact CA-O 3.5Å; L296-L300 VanDerWaalsContact CD2-O 3.22Å; L296-L300 WeakPolarHBondContact CD2-O 3.24Å; L300-F305 HydrophobicContact CB-CB 4.35Å; L300-F305 HydrophobicContact CD1-CD2 4.22Å
301	T	85.7	Confident	78.2	Confident	72 Å²	72	39.3 Å²	39.3	44%	0.442	22%	0.219	S	C	.	.			trans	-75.2	159.2	166	63.1	0	0	0	0	110.8	D303 E304 F305	T301-D303 PolarHBondContact O-N 3.3Å; T301-E304 WeakPolarHBondContact CB-OE2 3.4Å; T301-E304 WeakPolarHBondContact CG2-OE2 3.34Å; T301-E304 PolarHBondContact N-OE2 3.3Å; T301-E304 PolarHBondContact O-N 2.94Å; T301-E304 WeakPolarHBondContact OG1-CB 3.37Å; T301-E304 VanDerWaalsContact OG1-CD 3.23Å; T301-E304 VanDerWaalsContact OG1-CG 3.23Å; T301-E304 WeakPolarHBondContact OG1-CG 3.31Å; T301-E304 PolarHBondContact OG1-N 3.34Å; T301-E304 VanDerWaalsContact OG1-N 3.15Å; T301-E304 PolarHBondContact OG1-OE2 3.46Å; T301-F305 WeakPolarHBondContact O-CB 3.48Å; T301-F305 PolarHBondContact O-N 3.27Å
302	I	84.6	Confident	78	Confident	14 Å²	14	40 Å²	40	7%	0.072	22%	0.224	C	C	.	.	H	α-helix	trans	-57.7	-31.3	174	-167.4	65.1	0	0	0	111.4	C292 F305 A306 P307 F343 P345	C292-I302 HydrophobicContact CB-CD1 4.27Å; I302-F305 HydrophobicContact CD1-CD1 4.5Å; I302-F305 PolarHBondContact O-N 2.97Å; I302-A306 HydrophobicContact CD1-CB 3.95Å; I302-A306 HydrophobicContact CG1-CB 4.05Å; I302-A306 WeakPolarHBondContact O-CA 3.32Å; I302-A306 WeakPolarHBondContact O-CB 3.37Å; I302-A306 PolarHBondContact O-N 3.47Å; I302-P307 WeakPolarHBondContact O-CD 3.46Å; I302-F343 HydrophobicContact CB-CB 4.25Å; I302-F343 HydrophobicContact CD1-CB 4.12Å; I302-F343 HydrophobicContact CD1-CD2 4.36Å; I302-F343 HydrophobicContact CD1-CG 4.14Å; I302-F343 HydrophobicContact CG1-CB 3.85Å; I302-F343 HydrophobicContact CG1-CG 4.42Å; I302-F343 HydrophobicContact CG2-CB 4.48Å; I302-P345 HydrophobicContact CG1-CB 4.45Å; I302-P345 HydrophobicContact CG2-CB 3.82Å
303	D	82.7	Confident	78.2	Confident	41 Å²	41	40 Å²	40	22%	0.219	22%	0.224	C	C	.	.	H	α-helix	trans	-85.4	-7.1	178.1	-69.3	-43	0	0	0	114.2	T301 P307 P345 K346 N347 S350	T301-D303 PolarHBondContact O-N 3.3Å; D303-P307 VanDerWaalsContact C-CG 3.45Å; D303-P307 VanDerWaalsContact CA-CD 3.49Å; D303-P307 HydrophobicContact CB-CG 4.29Å; D303-P307 WeakPolarHBondContact O-CD 3.44Å; D303-P307 WeakPolarHBondContact O-CG 3.37Å; D303-P345 WeakPolarHBondContact OD1-CB 3.34Å; D303-K346 WeakPolarHBondContact OD2-CA 3.46Å; D303-K346 VanDerWaalsContact OD2-CB 3.31Å; D303-K346 WeakPolarHBondContact OD2-CB 3.46Å; D303-K346 PolarHBondContact OD2-N 3.39Å; D303-N347 HydrophobicContact CB-CB 4.44Å; D303-N347 VanDerWaalsContact OD1-CB 3.26Å; D303-N347 WeakPolarHBondContact OD1-CB 3.25Å; D303-N347 PolarHBondContact OD1-N 2.69Å; D303-N347 VanDerWaalsContact OD1-N 3.11Å; D303-N347 PolarHBondContact OD2-N 2.89Å; D303-S350 PolarHBondContact OD1-OG 3.11Å
304	E	76.1	Confident	78.4	Confident	110 Å²	110	37.4 Å²	37.4	51%	0.514	21%	0.214	S	C	.	.	H	α-helix	trans	-92.3	-28	165.8	-73	160.9	147.7	0	0	110.8	T301	T301-E304 WeakPolarHBondContact CB-OE2 3.4Å; T301-E304 WeakPolarHBondContact CG2-OE2 3.34Å; T301-E304 PolarHBondContact N-OE2 3.3Å; T301-E304 PolarHBondContact O-N 2.94Å; T301-E304 WeakPolarHBondContact OG1-CB 3.37Å; T301-E304 VanDerWaalsContact OG1-CD 3.23Å; T301-E304 VanDerWaalsContact OG1-CG 3.23Å; T301-E304 WeakPolarHBondContact OG1-CG 3.31Å; T301-E304 PolarHBondContact OG1-N 3.34Å; T301-E304 VanDerWaalsContact OG1-N 3.15Å; T301-E304 PolarHBondContact OG1-OE2 3.46Å
305	F	69.3	Low	78.8	Confident	5 Å²	5	36.8 Å²	36.8	2%	0.022	21%	0.211	C	C	.	.	H	α-helix	trans	-90.7	-44.4	-177.4	-179.8	-112.6	0	0	0	114	F250 C292 L300 T301 I302 R310 L311	F250-F305 HydrophobicContact CB-CE2 4.35Å; F250-F305 AromaticContact CD1-CE2 3.93Å; F250-F305 HydrophobicContact CD1-CE2 3.93Å; F250-F305 HydrophobicContact CD2-CD2 4.08Å; F250-F305 AromaticContact CD2-CE2 3.29Å; F250-F305 HydrophobicContact CD2-CE2 3.29Å; F250-F305 AromaticContact CD2-CZ 3.93Å; F250-F305 HydrophobicContact CD2-CZ 3.93Å; F250-F305 AromaticContact CE1-CE2 3.94Å; F250-F305 HydrophobicContact CE1-CE2 3.94Å; F250-F305 HydrophobicContact CE1-CZ 4.44Å; F250-F305 HydrophobicContact CE2-CD2 4.43Å; F250-F305 AromaticContact CE2-CE2 3.28Å; F250-F305 HydrophobicContact CE2-CE2 3.28Å; F250-F305 AromaticContact CE2-CZ 3.45Å; F250-F305 HydrophobicContact CE2-CZ 3.45Å; F250-F305 VanDerWaalsContact CE2-CZ 3.45Å; F250-F305 HydrophobicContact CG-CD2 4.25Å; F250-F305 AromaticContact CG-CE2 3.61Å; F250-F305 HydrophobicContact CG-CE2 3.61Å; F250-F305 AromaticContact CZ-CE2 3.62Å; F250-F305 HydrophobicContact CZ-CE2 3.62Å; F250-F305 AromaticContact CZ-CZ 3.74Å; F250-F305 HydrophobicContact CZ-CZ 3.74Å; C292-F305 HydrophobicContact CB-CE1 4.3Å; L300-F305 HydrophobicContact CB-CB 4.35Å; L300-F305 HydrophobicContact CD1-CD2 4.22Å; T301-F305 WeakPolarHBondContact O-CB 3.48Å; T301-F305 PolarHBondContact O-N 3.27Å; I302-F305 HydrophobicContact CD1-CD1 4.5Å; I302-F305 PolarHBondContact O-N 2.97Å; F305-R310 WeakPolarHBondContact O-CB 3.32Å; F305-L311 HydrophobicContact CD1-CD1 4.15Å; F305-L311 HydrophobicContact CE1-CD1 3.65Å; F305-L311 HydrophobicContact CE1-CD2 3.72Å; F305-L311 HydrophobicContact CE1-CG 3.99Å; F305-L311 HydrophobicContact CE2-CD2 4.15Å; F305-L311 HydrophobicContact CZ-CD1 4.26Å; F305-L311 HydrophobicContact CZ-CD2 3.42Å; F305-L311 VanDerWaalsContact CZ-CD2 3.42Å; F305-L311 HydrophobicContact CZ-CG 4.12Å
306	A	58.6	Low	79.3	Confident	7 Å²	7	36.8 Å²	36.8	6%	0.058	21%	0.211	C	C	.	.	S	Bend	trans	-90.9	-36.7	-169.6	0	0	0	0	0	115.9	I302 I308 L311	I302-A306 HydrophobicContact CD1-CB 3.95Å; I302-A306 HydrophobicContact CG1-CB 4.05Å; I302-A306 WeakPolarHBondContact O-CA 3.32Å; I302-A306 WeakPolarHBondContact O-CB 3.37Å; I302-A306 PolarHBondContact O-N 3.47Å; A306-I308 PolarHBondContact O-N 2.93Å; A306-L311 HydrophobicContact CB-CD1 4.39Å
307	P	54.5	Low	79.7	Confident	15 Å²	15	33.4 Å²	33.4	10%	0.097	19%	0.193	C	C	.	.	S	Bend	trans	-75.5	127.4	-168.1	19.5	-20.3	0	0	0	112.8	I302 D303 S309 N347 K349 S350	I302-P307 WeakPolarHBondContact O-CD 3.46Å; D303-P307 VanDerWaalsContact C-CG 3.45Å; D303-P307 VanDerWaalsContact CA-CD 3.49Å; D303-P307 HydrophobicContact CB-CG 4.29Å; D303-P307 WeakPolarHBondContact O-CD 3.44Å; D303-P307 WeakPolarHBondContact O-CG 3.37Å; P307-S309 PolarHBondContact O-N 2.89Å; P307-N347 HydrophobicContact CB-CB 4.33Å; P307-N347 WeakPolarHBondContact CB-ND2 3.44Å; P307-N347 HydrophobicContact CG-CB 4.42Å; P307-K349 HydrophobicContact CB-CB 3.98Å; P307-S350 WeakPolarHBondContact CB-OG 3.27Å; P307-S350 VanDerWaalsContact CD-OG 3.31Å; P307-S350 WeakPolarHBondContact CD-OG 3.34Å; P307-S350 WeakPolarHBondContact CG-OG 3.22Å
308	I	45.8	Very low	80.3	Confident	72 Å²	72	25.6 Å²	25.6	37%	0.369	16%	0.161	S	C	.	.	S	Bend	trans	61.6	-3.2	150.9	-108.3	-162.5	0	0	0	119.4	A306 K349 R354	A306-I308 PolarHBondContact O-N 2.93Å; I308-K349 HydrophobicContact CB-CB 4.23Å; I308-K349 HydrophobicContact CB-CD 4.3Å; I308-K349 HydrophobicContact CD1-CB 4.32Å; I308-K349 HydrophobicContact CD1-CD 3.28Å; I308-K349 HydrophobicContact CD1-CG 3.74Å; I308-K349 VanDerWaalsContact CD1-NZ 3.3Å; I308-K349 HydrophobicContact CG1-CB 3.86Å; I308-K349 HydrophobicContact CG1-CD 3.78Å; I308-K349 HydrophobicContact CG1-CG 3.82Å; I308-R354 PolarHBondContact O-NH1 3.49Å
309	S	50	Low	81.2	Confident	28 Å²	28	27.2 Å²	27.2	20%	0.196	16%	0.163	C	C	.	.	S	Bend	trans	-149.9	4.6	-179.7	55.2	0	0	0	0	117.3	P258 F260 N261 P307	P258-S309 WeakPolarHBondContact O-CB 3.43Å; P258-S309 PolarHBondContact O-OG 3.28Å; P258-S309 VanDerWaalsContact O-OG 3.09Å; F260-S309 CarbonylContact C-O 3.36Å; F260-S309 VanDerWaalsContact C-O 3.3Å; F260-S309 VanDerWaalsContact O-O 3.05Å; N261-S309 WeakPolarHBondContact CA-O 3.31Å; N261-S309 PolarHBondContact N-O 3.5Å; N261-S309 VanDerWaalsContact OD1-C 3.24Å; N261-S309 PolarHBondContact OD1-O 2.98Å; P307-S309 PolarHBondContact O-N 2.89Å
310	R	69.6	Low	81.9	Confident	9 Å²	9	25.7 Å²	25.7	3%	0.034	14%	0.139	C	C	.	.	S	Bend	trans	-129.5	-46	-164.8	-59	-58.1	172.8	174.6	15.4	116.9	T253 S254 M257 F260 S262 I263 F305	T253-R310 VanDerWaalsContact O-CZ 3.31Å; T253-R310 PolarHBondContact O-NH1 2.75Å; T253-R310 PolarHBondContact O-NH2 3.5Å; S254-R310 VanDerWaalsContact CA-NH2 3.34Å; M257-R310 VanDerWaalsContact C-NH2 3.28Å; M257-R310 PolarHBondContact O-NH1 2.87Å; M257-R310 PolarHBondContact O-NH2 3.05Å; F260-R310 WeakPolarHBondContact O-CD 3.48Å; F260-R310 PolarHBondContact O-NH1 2.97Å; S262-R310 PolarHBondContact N-O 3.08Å; S262-R310 VanDerWaalsContact N-O 3.13Å; I263-R310 PolarHBondContact N-O 3.49Å; F305-R310 WeakPolarHBondContact O-CB 3.32Å
311	L	85	Confident	82.7	Confident	7 Å²	7	26.6 Å²	26.6	4%	0.037	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	124.6	174.5	-62.2	-179.8	0	0	0	109.5	I263 I265 F305 A306 W335 R354	I263-L311 HydrophobicContact CG2-CD2 3.21Å; I265-L311 HydrophobicContact CD1-CD2 4.06Å; F305-L311 HydrophobicContact CD1-CD1 4.15Å; F305-L311 HydrophobicContact CE1-CD1 3.65Å; F305-L311 HydrophobicContact CE1-CD2 3.72Å; F305-L311 HydrophobicContact CE1-CG 3.99Å; F305-L311 HydrophobicContact CE2-CD2 4.15Å; F305-L311 HydrophobicContact CZ-CD1 4.26Å; F305-L311 HydrophobicContact CZ-CD2 3.42Å; F305-L311 VanDerWaalsContact CZ-CD2 3.42Å; F305-L311 HydrophobicContact CZ-CG 4.12Å; A306-L311 HydrophobicContact CB-CD1 4.39Å; L311-W335 HydrophobicContact CD1-CH2 4.1Å; L311-W335 HydrophobicContact CD1-CZ2 3.79Å; L311-R354 PolarHBondContact O-NH2 3.48Å
312	S	90.8	Very high	83.3	Confident	14 Å²	14	27.8 Å²	27.8	10%	0.098	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	162.6	161.6	60.4	0	0	0	0	109.8	I263 S264 I265 R354	I263-S312 PolarHBondContact O-N 3.12Å; I263-S312 PolarHBondContact O-OG 2.93Å; S264-S312 CarbonylContact C-O 3.38Å; S264-S312 WeakPolarHBondContact CA-O 3.5Å; I265-S312 PolarHBondContact N-O 3.29Å; S312-R354 CarbonylContact C-O 3.44Å; S312-R354 WeakPolarHBondContact CA-O 3.27Å
313	F	96.3	Very high	84	Confident	1 Å²	1	27.2 Å²	27.2	0%	0.004	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	161.6	176.1	-74.3	-102.2	0	0	0	110.1	I265 T284 I285 W315 W335 L353 R354 T355 H356	I265-F313 HydrophobicContact CB-CD1 3.94Å; I265-F313 HydrophobicContact CB-CE1 3.93Å; I265-F313 HydrophobicContact CB-CG 4.42Å; I265-F313 HydrophobicContact CB-CZ 4.4Å; I265-F313 HydrophobicContact CD1-CE1 3.99Å; I265-F313 HydrophobicContact CD1-CE2 3.96Å; I265-F313 HydrophobicContact CD1-CZ 3.62Å; I265-F313 HydrophobicContact CG2-CD1 4.21Å; I265-F313 HydrophobicContact CG2-CE1 3.93Å; I265-F313 CarbonylContact O-C 3.49Å; I265-F313 WeakPolarHBondContact O-CA 3.49Å; T284-F313 HydrophobicContact CG2-CD1 3.84Å; T284-F313 HydrophobicContact CG2-CE1 4.2Å; I285-F313 HydrophobicContact CD1-CE1 3.93Å; I285-F313 HydrophobicContact CD1-CZ 4.37Å; F313-W315 AromaticContact CD1-CZ2 3.98Å; F313-W315 HydrophobicContact CD1-CZ2 3.98Å; F313-W335 HydrophobicContact CE1-CE3 4.4Å; F313-W335 HydrophobicContact CE2-CD2 4.1Å; F313-W335 AromaticContact CE2-CE2 3.97Å; F313-W335 HydrophobicContact CE2-CE3 4.39Å; F313-W335 HydrophobicContact CE2-CH2 4.38Å; F313-W335 HydrophobicContact CE2-CZ2 4.12Å; F313-W335 AromaticContact CZ-CD2 3.73Å; F313-W335 HydrophobicContact CZ-CD2 3.73Å; F313-W335 AromaticContact CZ-CE2 3.96Å; F313-W335 AromaticContact CZ-CE3 3.59Å; F313-W335 HydrophobicContact CZ-CE3 3.59Å; F313-W335 HydrophobicContact CZ-CG 4.45Å; F313-W335 AromaticContact CZ-CH2 3.88Å; F313-W335 HydrophobicContact CZ-CH2 3.88Å; F313-W335 HydrophobicContact CZ-CZ2 4.04Å; F313-W335 AromaticContact CZ-CZ3 3.68Å; F313-W335 HydrophobicContact CZ-CZ3 3.68Å; F313-L353 HydrophobicContact CB-CD2 3.91Å; F313-L353 HydrophobicContact CB-CG 4.3Å; F313-L353 HydrophobicContact CD1-CD1 4.22Å; F313-L353 HydrophobicContact CD1-CG 4.33Å; F313-L353 HydrophobicContact CD2-CB 4.44Å; F313-L353 HydrophobicContact CD2-CD1 4.23Å; F313-L353 HydrophobicContact CD2-CD2 3.99Å; F313-L353 HydrophobicContact CD2-CG 3.5Å; F313-L353 HydrophobicContact CE1-CD1 4.34Å; F313-L353 HydrophobicContact CE2-CB 4.47Å; F313-L353 HydrophobicContact CE2-CD1 4.32Å; F313-L353 HydrophobicContact CE2-CG 3.82Å; F313-L353 HydrophobicContact CG-CD1 4.16Å; F313-L353 HydrophobicContact CG-CD2 3.95Å; F313-L353 HydrophobicContact CG-CG 3.77Å; F313-L353 HydrophobicContact CZ-CD1 4.38Å; F313-L353 HydrophobicContact CZ-CG 4.36Å; F313-R354 PolarHBondContact N-O 3.37Å; F313-T355 CarbonylContact O-C 3.53Å; F313-T355 VanDerWaalsContact O-CA 3.31Å; F313-T355 WeakPolarHBondContact O-CA 3.47Å; F313-T355 PolarHBondContact O-OG1 3.35Å; F313-H356 PolarHBondContact O-N 3.39Å
314	F	97.9	Very high	84.8	Confident	10 Å²	10	25.5 Å²	25.5	4%	0.044	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	109.8	176.9	175	-151.1	0	0	0	111.1	I265 S266 G267 Y268 H269 H356 Q358	I265-F314 PolarHBondContact O-N 2.87Å; S266-F314 CarbonylContact C-O 3.6Å; S266-F314 WeakPolarHBondContact CA-O 3.19Å; G267-F314 PolarHBondContact N-O 3.13Å; Y268-F314 VanDerWaalsContact CB-CZ 3.44Å; Y268-F314 AromaticContact CD1-CE1 3.69Å; Y268-F314 HydrophobicContact CD1-CE1 3.69Å; Y268-F314 AromaticContact CD1-CZ 3.59Å; Y268-F314 HydrophobicContact CD1-CZ 3.59Å; Y268-F314 HydrophobicContact CD2-CE2 4.28Å; Y268-F314 AromaticContact CD2-CZ 3.96Å; Y268-F314 HydrophobicContact CD2-CZ 3.96Å; Y268-F314 HydrophobicContact CE1-CZ 4.33Å; Y268-F314 AromaticContact CG-CE1 3.76Å; Y268-F314 HydrophobicContact CG-CE1 3.76Å; Y268-F314 AromaticContact CG-CE2 3.96Å; Y268-F314 HydrophobicContact CG-CE2 3.96Å; Y268-F314 AromaticContact CG-CZ 3.38Å; Y268-F314 HydrophobicContact CG-CZ 3.38Å; Y268-F314 PolarHBondContact N-O 3.26Å; Y268-F314 VanDerWaalsContact N-O 3.12Å; H269-F314 AromaticContact CE1-CD1 3.91Å; H269-F314 AromaticContact CE1-CE1 3.7Å; F314-H356 CarbonylContact C-O 3.53Å; F314-H356 VanDerWaalsContact CA-O 3.31Å; F314-H356 WeakPolarHBondContact CA-O 3.23Å; F314-H356 HydrophobicContact CD2-CB 4.1Å; F314-H356 AromaticContact CD2-CD2 3.38Å; F314-H356 WeakPolarHBondContact CD2-CD2 3.27Å; F314-H356 AromaticContact CE2-CD2 3.38Å; F314-H356 WeakPolarHBondContact CE2-CD2 3.47Å; F314-H356 AromaticContact CE2-NE2 3.98Å; F314-Q358 HydrophobicContact CE2-CB 3.46Å; F314-Q358 VanDerWaalsContact CE2-CB 3.46Å; F314-Q358 HydrophobicContact CZ-CB 3.69Å
315	W	98.6	Very high	85.8	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	147.4	-179.1	-55.6	113.5	0	0	0	111.9	E280 V281 T284 F313 L328 A331 L353 T355 H356 C357 Q358	E280-W315 HydrophobicContact CG-CE3 3.95Å; E280-W315 HydrophobicContact CG-CZ3 4.03Å; V281-W315 HydrophobicContact CG2-CH2 4.33Å; V281-W315 HydrophobicContact CG2-CZ3 4.25Å; T284-W315 VanDerWaalsContact CB-CZ3 3.5Å; T284-W315 HydrophobicContact CG2-CE3 4.42Å; T284-W315 HydrophobicContact CG2-CH2 3.59Å; T284-W315 HydrophobicContact CG2-CZ2 4.23Å; T284-W315 HydrophobicContact CG2-CZ3 3.7Å; F313-W315 AromaticContact CD1-CZ2 3.98Å; F313-W315 HydrophobicContact CD1-CZ2 3.98Å; W315-L328 HydrophobicContact CB-CD2 4.4Å; W315-L328 HydrophobicContact CG-CD2 4.03Å; W315-A331 HydrophobicContact CH2-CB 4.15Å; W315-A331 HydrophobicContact CZ2-CB 3.66Å; W315-L353 HydrophobicContact CZ2-CD1 4.18Å; W315-T355 PolarHBondContact NE1-OG1 2.78Å; W315-H356 PolarHBondContact N-O 2.75Å; W315-C357 WeakPolarHBondContact O-CA 3.38Å; W315-Q358 PolarHBondContact O-N 3.4Å; W315-Q358 VanDerWaalsContact O-N 3.07Å
316	G	98.3	Very high	87.2	Confident	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	161.4	160.6	0	0	0	0	0	110.9	Y268 Q271 E280 K327 Q358	Y268-G316 VanDerWaalsContact CA-N 3.33Å; Q271-G316 PolarHBondContact OE1-O 3.37Å; E280-G316 PolarHBondContact OE1-N 3.23Å; G316-K327 PolarHBondContact O-NZ 2.94Å; G316-Q358 CarbonylContact C-O 3.54Å; G316-Q358 WeakPolarHBondContact CA-O 3.34Å
317	I	98.8	Very high	89.2	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	106.2	177	-55.3	-70	0	0	0	107.7	E324 L328 C357 Q358 T359 S360 E379 A382 A383	I317-E324 HydrophobicContact CD1-CB 4.28Å; I317-E324 HydrophobicContact CG2-CB 4.04Å; I317-E324 HydrophobicContact CG2-CG 4.02Å; I317-L328 HydrophobicContact CD1-CD1 3.75Å; I317-L328 HydrophobicContact CD1-CG 4.35Å; I317-C357 HydrophobicContact CD1-CB 4.43Å; I317-C357 HydrophobicContact CG1-CB 3.82Å; I317-Q358 PolarHBondContact N-O 3.38Å; I317-T359 CarbonylContact O-C 3.53Å; I317-S360 PolarHBondContact O-N 2.97Å; I317-E379 HydrophobicContact CG2-CB 4.1Å; I317-E379 WeakPolarHBondContact CG2-O 3.25Å; I317-E379 WeakPolarHBondContact O-CG 3.05Å; I317-A382 HydrophobicContact CG2-CB 3.83Å; I317-A383 HydrophobicContact CD1-CB 4.37Å; I317-A383 HydrophobicContact CG1-CB 3.92Å; I317-A383 HydrophobicContact CG2-CB 4.5Å
318	G	98.3	Very high	91.3	Very high	6 Å²	6	19 Å²	19	6%	0.062	9%	0.094	C	C	.	.			trans	-96.6	-170.2	177.3	0	0	0	0	0	113.3	N320 E324	G318-N320 VanDerWaalsContact C-N 3.3Å; G318-N320 PolarHBondContact O-N 3Å; G318-E324 PolarHBondContact N-OE1 3.25Å
319	M	98.5	Very high	93.8	Very high	73 Å²	73	15.6 Å²	15.6	36%	0.36	8%	0.077	S	C	.	.	S	Bend	trans	-73.3	-11.5	-171.5	-70.3	-62.6	-60.7	0	0	115.7	F321 R375 I378 E379	M319-F321 VanDerWaalsContact C-N 3.25Å; M319-F321 PolarHBondContact O-N 3.17Å; M319-R375 HydrophobicContact CE-CB 4.44Å; M319-R375 HydrophobicContact CE-CG 4.15Å; M319-R375 HydrophobicContact SD-CB 3.66Å; M319-R375 HydrophobicContact SD-CG 3.83Å; M319-I378 HydrophobicContact CE-CD1 3.97Å; M319-I378 HydrophobicContact CE-CG2 4.4Å; M319-E379 HydrophobicContact SD-CG 3.98Å
320	N	98.3	Very high	96.1	Very high	34 Å²	34	14.2 Å²	14.2	18%	0.182	7%	0.067	C	C	.	.			trans	-79.3	76.3	176.6	-169.1	-14.7	0	0	0	110.6	W65 G318 Y322 M323 E324	W65-N320 WeakPolarHBondContact CH2-ND2 3.49Å; W65-N320 WeakPolarHBondContact CH2-OD1 3.44Å; G318-N320 VanDerWaalsContact C-N 3.3Å; G318-N320 PolarHBondContact O-N 3Å; N320-Y322 VanDerWaalsContact C-N 3.35Å; N320-Y322 PolarHBondContact O-N 3.13Å; N320-M323 HydrophobicContact CB-CB 3.96Å; N320-M323 WeakPolarHBondContact ND2-CB 3.4Å; N320-M323 PolarHBondContact O-N 2.94Å; N320-M323 VanDerWaalsContact O-N 3.08Å; N320-M323 WeakPolarHBondContact OD1-CB 3.49Å; N320-M323 PolarHBondContact OD1-N 3.18Å; N320-E324 WeakPolarHBondContact O-CG 3.27Å; N320-E324 PolarHBondContact O-N 3.09Å
321	F	98.8	Very high	97.5	Very high	40 Å²	40	13.8 Å²	13.8	18%	0.175	7%	0.066	C	C	.	.	H	α-helix	trans	-48	-48.1	-170.2	179.9	-92.6	0	0	0	114.6	M319 I325 I378 M381 A382 F385 W431	M319-F321 VanDerWaalsContact C-N 3.25Å; M319-F321 PolarHBondContact O-N 3.17Å; F321-I325 HydrophobicContact CD1-CD1 3.78Å; F321-I325 HydrophobicContact CE1-CD1 3.33Å; F321-I325 HydrophobicContact CE2-CD1 4.23Å; F321-I325 HydrophobicContact CG-CD1 4.4Å; F321-I325 HydrophobicContact CZ-CD1 3.61Å; F321-I325 WeakPolarHBondContact O-CG1 3.32Å; F321-I325 PolarHBondContact O-N 3.37Å; F321-I378 HydrophobicContact CB-CG2 4.35Å; F321-I378 HydrophobicContact CD2-CG2 3.98Å; F321-M381 HydrophobicContact CE2-CB 3.89Å; F321-A382 HydrophobicContact CD2-CB 3.71Å; F321-A382 HydrophobicContact CE2-CB 4.08Å; F321-A382 HydrophobicContact CG-CB 4.39Å; F321-F385 HydrophobicContact CE1-CD2 4.48Å; F321-F385 HydrophobicContact CE2-CD2 4.01Å; F321-F385 HydrophobicContact CE2-CE2 4.32Å; F321-F385 AromaticContact CZ-CD2 3.47Å; F321-F385 HydrophobicContact CZ-CD2 3.47Å; F321-F385 VanDerWaalsContact CZ-CD2 3.47Å; F321-F385 AromaticContact CZ-CE2 3.72Å; F321-F385 HydrophobicContact CZ-CE2 3.72Å; F321-W431 AromaticContact CE1-CZ2 3.89Å; F321-W431 HydrophobicContact CE1-CZ2 3.89Å; F321-W431 HydrophobicContact CZ-CZ2 4.46Å
322	Y	98.8	Very high	98.1	Very high	98 Å²	98	13.6 Å²	13.6	38%	0.384	6%	0.064	S	C	.	.	H	α-helix	trans	-70.4	-41.2	-178.5	-58.8	-54.3	0	0	0	112.4	N320 E324 I325 A326 W431 M436 M437	N320-Y322 VanDerWaalsContact C-N 3.35Å; N320-Y322 PolarHBondContact O-N 3.13Å; Y322-E324 VanDerWaalsContact C-N 3.31Å; Y322-E324 PolarHBondContact O-N 3.4Å; Y322-I325 PolarHBondContact O-N 3.4Å; Y322-A326 WeakPolarHBondContact O-CB 3.26Å; Y322-A326 PolarHBondContact O-N 3.2Å; Y322-W431 AromaticContact CE1-CH2 3.9Å; Y322-W431 HydrophobicContact CE1-CH2 3.9Å; Y322-W431 HydrophobicContact CE1-CZ2 4.49Å; Y322-W431 HydrophobicContact CE1-CZ3 4.39Å; Y322-M436 HydrophobicContact CD1-CE 3.41Å; Y322-M436 VanDerWaalsContact CD1-CE 3.41Å; Y322-M436 HydrophobicContact CD2-CE 4.01Å; Y322-M436 HydrophobicContact CE1-CE 3.71Å; Y322-M436 HydrophobicContact CE2-CE 4.27Å; Y322-M436 HydrophobicContact CG-CE 3.58Å; Y322-M436 HydrophobicContact CG-SD 4.41Å; Y322-M437 HydrophobicContact CD1-CE 3.92Å
323	M	98.8	Very high	98.5	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-61.4	-41.8	178.2	-170.7	63	70.6	0	0	111	T67 E69 L71 I73 A277 N320 I325 A326 K327 L440 V444	T67-M323 HydrophobicContact CG2-CE 4.18Å; E69-M323 HydrophobicContact CB-CE 4.19Å; E69-M323 HydrophobicContact CG-CE 3.93Å; E69-M323 HydrophobicContact CG-CG 4.38Å; E69-M323 HydrophobicContact CG-SD 4.2Å; L71-M323 HydrophobicContact CD1-CE 4.01Å; L71-M323 HydrophobicContact CD1-SD 4.27Å; I73-M323 HydrophobicContact CD1-CE 4.39Å; A277-M323 HydrophobicContact CB-CG 3.57Å; A277-M323 HydrophobicContact CB-SD 4.3Å; N320-M323 HydrophobicContact CB-CB 3.96Å; N320-M323 WeakPolarHBondContact ND2-CB 3.4Å; N320-M323 PolarHBondContact O-N 2.94Å; N320-M323 VanDerWaalsContact O-N 3.08Å; N320-M323 WeakPolarHBondContact OD1-CB 3.49Å; N320-M323 PolarHBondContact OD1-N 3.18Å; M323-I325 PolarHBondContact O-N 3.23Å; M323-A326 PolarHBondContact O-N 3.42Å; M323-K327 VanDerWaalsContact O-CB 3.23Å; M323-K327 WeakPolarHBondContact O-CB 3.11Å; M323-K327 PolarHBondContact O-N 3Å; M323-L440 HydrophobicContact CE-CD1 3.94Å; M323-L440 HydrophobicContact SD-CD1 4.17Å; M323-V444 HydrophobicContact SD-CG2 3.57Å; M323-V444 VanDerWaalsContact SD-CG2 3.57Å
324	E	98.9	Very high	98.6	Very high	5 Å²	5	14.2 Å²	14.2	2%	0.023	6%	0.064	C	C	.	.	H	α-helix	trans	-67.5	-37	-179.2	-63.5	-65.6	-172.5	0	0	113.1	Q271 I317 G318 N320 Y322 K327 L328 A382	Q271-E324 PolarHBondContact NE2-OE1 3.45Å; I317-E324 HydrophobicContact CD1-CB 4.28Å; I317-E324 HydrophobicContact CG2-CB 4.04Å; I317-E324 HydrophobicContact CG2-CG 4.02Å; G318-E324 PolarHBondContact N-OE1 3.25Å; N320-E324 WeakPolarHBondContact O-CG 3.27Å; N320-E324 PolarHBondContact O-N 3.09Å; Y322-E324 VanDerWaalsContact C-N 3.31Å; Y322-E324 PolarHBondContact O-N 3.4Å; E324-K327 WeakPolarHBondContact O-CB 3.24Å; E324-K327 PolarHBondContact O-N 3.38Å; E324-K327 IonicContact OE1-NZ 3.33Å; E324-K327 WeakPolarHBondContact OE2-CE 3.48Å; E324-K327 IonicContact OE2-NZ 2.67Å; E324-K327 PolarHBondContact OE2-NZ 2.82Å; E324-L328 PolarHBondContact O-N 2.96Å; E324-A382 HydrophobicContact CB-CB 4.07Å
325	I	98.9	Very high	98.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.6	-48.7	172.9	-64	166.9	0	0	0	109.8	F321 Y322 M323 K327 L328 R329 A382 F385 M437	F321-I325 HydrophobicContact CD1-CD1 3.78Å; F321-I325 HydrophobicContact CE1-CD1 3.33Å; F321-I325 HydrophobicContact CE2-CD1 4.23Å; F321-I325 HydrophobicContact CG-CD1 4.4Å; F321-I325 HydrophobicContact CZ-CD1 3.61Å; F321-I325 WeakPolarHBondContact O-CG1 3.32Å; F321-I325 PolarHBondContact O-N 3.37Å; Y322-I325 PolarHBondContact O-N 3.4Å; M323-I325 PolarHBondContact O-N 3.23Å; I325-K327 VanDerWaalsContact C-N 3.31Å; I325-K327 PolarHBondContact O-N 2.75Å; I325-L328 PolarHBondContact O-N 3.04Å; I325-R329 VanDerWaalsContact O-CG 3.28Å; I325-R329 WeakPolarHBondContact O-CG 3.27Å; I325-R329 PolarHBondContact O-N 3.02Å; I325-A382 HydrophobicContact CG1-CB 4.24Å; I325-F385 HydrophobicContact CD1-CB 3.73Å; I325-F385 HydrophobicContact CD1-CD2 4.24Å; I325-F385 HydrophobicContact CD1-CG 4.35Å; I325-F385 HydrophobicContact CG1-CB 3.9Å; I325-F385 HydrophobicContact CG2-CB 4.49Å; I325-M437 HydrophobicContact CB-CE 3.83Å; I325-M437 HydrophobicContact CB-SD 3.87Å; I325-M437 HydrophobicContact CD1-CE 4.08Å; I325-M437 HydrophobicContact CG2-CE 3.76Å; I325-M437 HydrophobicContact CG2-CG 4.23Å; I325-M437 HydrophobicContact CG2-SD 3.55Å; I325-M437 VanDerWaalsContact CG2-SD 3.55Å
326	A	98.8	Very high	98.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-60.8	-40.5	177.7	0	0	0	0	0	111.9	Y322 M323 L328 R329 A330 M437 L440 V444	Y322-A326 WeakPolarHBondContact O-CB 3.26Å; Y322-A326 PolarHBondContact O-N 3.2Å; M323-A326 PolarHBondContact O-N 3.42Å; A326-L328 PolarHBondContact O-N 2.55Å; A326-R329 PolarHBondContact O-N 3.07Å; A326-A330 WeakPolarHBondContact O-CB 3.21Å; A326-A330 PolarHBondContact O-N 3.05Å; A326-M437 HydrophobicContact CB-SD 4.02Å; A326-L440 HydrophobicContact CB-CB 4.16Å; A326-L440 HydrophobicContact CB-CD2 3.87Å; A326-L440 HydrophobicContact CB-CG 3.63Å; A326-V444 HydrophobicContact CB-CG2 4.28Å
327	K	98.8	Very high	98.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-54.4	-53.2	176.4	-169.5	-172.9	76.2	-172.7	0	111.9	A277 E280 V281 G316 M323 E324 I325 R329 A330 A331	A277-K327 HydrophobicContact CB-CD 3.99Å; A277-K327 HydrophobicContact CB-CG 4.37Å; E280-K327 VanDerWaalsContact CD-NZ 3.32Å; E280-K327 IonicContact OE1-NZ 3.82Å; E280-K327 PolarHBondContact OE1-NZ 2.99Å; E280-K327 WeakPolarHBondContact OE2-CD 3.31Å; E280-K327 IonicContact OE2-NZ 3.17Å; E280-K327 PolarHBondContact OE2-NZ 2.85Å; V281-K327 HydrophobicContact CG2-CB 4.47Å; V281-K327 HydrophobicContact CG2-CD 4Å; V281-K327 HydrophobicContact CG2-CG 3.24Å; G316-K327 PolarHBondContact O-NZ 2.94Å; M323-K327 VanDerWaalsContact O-CB 3.23Å; M323-K327 WeakPolarHBondContact O-CB 3.11Å; M323-K327 PolarHBondContact O-N 3Å; E324-K327 WeakPolarHBondContact O-CB 3.24Å; E324-K327 PolarHBondContact O-N 3.38Å; E324-K327 IonicContact OE1-NZ 3.33Å; E324-K327 WeakPolarHBondContact OE2-CE 3.48Å; E324-K327 IonicContact OE2-NZ 2.67Å; E324-K327 PolarHBondContact OE2-NZ 2.82Å; I325-K327 VanDerWaalsContact C-N 3.31Å; I325-K327 PolarHBondContact O-N 2.75Å; K327-R329 VanDerWaalsContact C-N 3.34Å; K327-R329 PolarHBondContact O-N 3.38Å; K327-A330 PolarHBondContact O-N 3.41Å; K327-A331 WeakPolarHBondContact O-CB 3.32Å; K327-A331 PolarHBondContact O-N 3.28Å
328	L	98.9	Very high	98.3	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-63.1	-40.2	-179.2	-74.6	161.5	0	0	0	112.1	W315 I317 E324 I325 A326 R332 T355 G386	W315-L328 HydrophobicContact CB-CD2 4.4Å; W315-L328 HydrophobicContact CG-CD2 4.03Å; I317-L328 HydrophobicContact CD1-CD1 3.75Å; I317-L328 HydrophobicContact CD1-CG 4.35Å; E324-L328 PolarHBondContact O-N 2.96Å; I325-L328 PolarHBondContact O-N 3.04Å; A326-L328 PolarHBondContact O-N 2.55Å; L328-R332 VanDerWaalsContact O-CZ 3.29Å; L328-R332 PolarHBondContact O-N 2.92Å; L328-R332 PolarHBondContact O-NH1 3.04Å; L328-R332 VanDerWaalsContact O-NH1 3.16Å; L328-T355 HydrophobicContact CD2-CG2 3.93Å; L328-G386 WeakPolarHBondContact CB-O 3.48Å
329	R	98.8	Very high	98.2	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-66.9	-50	177.6	-66.3	170.3	90.7	-116.5	-1.2	111.5	T96 I325 A326 K327 R332 R333 D429 E438 T441	T96-R329 HydrophobicContact CG2-CB 3.91Å; I325-R329 VanDerWaalsContact O-CG 3.28Å; I325-R329 WeakPolarHBondContact O-CG 3.27Å; I325-R329 PolarHBondContact O-N 3.02Å; A326-R329 PolarHBondContact O-N 3.07Å; K327-R329 VanDerWaalsContact C-N 3.34Å; K327-R329 PolarHBondContact O-N 3.38Å; R329-R332 PolarHBondContact O-N 2.99Å; R329-R333 PolarHBondContact O-N 2.81Å; R329-D429 IonicContact NE-OD1 2.97Å; R329-D429 PolarHBondContact NE-OD1 3.44Å; R329-D429 IonicContact NE-OD2 3.79Å; R329-D429 IonicContact NH2-OD2 2.99Å; R329-D429 PolarHBondContact NH2-OD2 2.89Å; R329-E438 IonicContact CZ-OE1 3.44Å; R329-E438 IonicContact CZ-OE2 3.52Å; R329-E438 VanDerWaalsContact CZ-OE2 3.29Å; R329-E438 IonicContact NH1-OE1 3Å; R329-E438 IonicContact NH1-OE2 2.6Å; R329-E438 PolarHBondContact NH1-OE2 2.74Å; R329-E438 IonicContact NH2-OE1 2.98Å; R329-E438 PolarHBondContact NH2-OE1 3.14Å; R329-E438 IonicContact NH2-OE2 2.73Å; R329-E438 PolarHBondContact NH2-OE2 3.36Å; R329-T441 HydrophobicContact CB-CG2 3.72Å; R329-T441 PolarHBondContact NH1-OG1 2.75Å
330	A	98.7	Very high	98	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.1	-43.7	-179.8	0	0	0	0	0	111.7	A326 K327 R332 R333 L334 T441 V444	A326-A330 WeakPolarHBondContact O-CB 3.21Å; A326-A330 PolarHBondContact O-N 3.05Å; K327-A330 PolarHBondContact O-N 3.41Å; A330-R332 VanDerWaalsContact C-N 3.31Å; A330-R332 PolarHBondContact O-N 3.43Å; A330-R333 PolarHBondContact O-N 3.43Å; A330-L334 VanDerWaalsContact O-CB 3.27Å; A330-L334 WeakPolarHBondContact O-CB 3.32Å; A330-L334 PolarHBondContact O-N 2.93Å; A330-T441 HydrophobicContact CB-CG2 4.02Å; A330-T441 WeakPolarHBondContact CB-O 3.06Å; A330-V444 HydrophobicContact CB-CB 4Å; A330-V444 HydrophobicContact CB-CG1 3.65Å
331	A	98.7	Very high	97.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60	-38.9	179.7	0	0	0	0	0	112.5	V281 W315 K327 L334 W335 L353	V281-A331 HydrophobicContact CG1-CB 4.24Å; V281-A331 HydrophobicContact CG2-CB 4.35Å; W315-A331 HydrophobicContact CH2-CB 4.15Å; W315-A331 HydrophobicContact CZ2-CB 3.66Å; K327-A331 WeakPolarHBondContact O-CB 3.32Å; K327-A331 PolarHBondContact O-N 3.28Å; A331-L334 PolarHBondContact O-N 2.93Å; A331-W335 VanDerWaalsContact O-CB 3.31Å; A331-W335 WeakPolarHBondContact O-CB 3.44Å; A331-W335 PolarHBondContact O-N 3.34Å; A331-L353 HydrophobicContact CB-CD1 4.01Å; A331-L353 WeakPolarHBondContact O-CD1 3.43Å
332	R	98.6	Very high	97.5	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.008	10%	0.099	C	C	.	.	H	α-helix	trans	-62.6	-48.7	175.5	-74.2	-172.7	-70.2	-87.8	5.3	111.8	Y95 T96 L328 R329 A330 L334 W335 A336 L353 G386	Y95-R332 VanDerWaalsContact O-CD 3.27Å; Y95-R332 WeakPolarHBondContact O-CD 3.39Å; Y95-R332 PolarHBondContact O-NE 2.69Å; Y95-R332 VanDerWaalsContact O-NE 3.12Å; T96-R332 PolarHBondContact O-NE 3.18Å; T96-R332 VanDerWaalsContact O-NE 3.11Å; T96-R332 PolarHBondContact O-NH2 3.25Å; L328-R332 VanDerWaalsContact O-CZ 3.29Å; L328-R332 PolarHBondContact O-N 2.92Å; L328-R332 PolarHBondContact O-NH1 3.04Å; L328-R332 VanDerWaalsContact O-NH1 3.16Å; R329-R332 PolarHBondContact O-N 2.99Å; A330-R332 VanDerWaalsContact C-N 3.31Å; A330-R332 PolarHBondContact O-N 3.43Å; R332-L334 VanDerWaalsContact C-N 3.33Å; R332-L334 PolarHBondContact O-N 3.33Å; R332-W335 PolarHBondContact O-N 3.49Å; R332-A336 WeakPolarHBondContact O-CB 3.46Å; R332-A336 PolarHBondContact O-N 2.91Å; R332-L353 HydrophobicContact CG-CB 4.07Å; R332-L353 HydrophobicContact CG-CD2 4.28Å; R332-G386 PolarHBondContact NH1-O 2.91Å; R332-G386 PolarHBondContact NH2-O 3.33Å
333	R	98.4	Very high	97.2	Very high	28 Å²	28	18.6 Å²	18.6	11%	0.106	9%	0.087	C	C	.	.	H	α-helix	trans	-58.9	-47.7	177.4	-172.7	-173.6	-71.4	169.2	-7.1	110.8	E88 P94 T96 R329 A330 A336 T337 D442 Y445	E88-R333 IonicContact OE1-CZ 3.47Å; E88-R333 IonicContact OE1-NE 3.38Å; E88-R333 IonicContact OE1-NH2 2.77Å; E88-R333 PolarHBondContact OE1-NH2 2.96Å; P94-R333 HydrophobicContact CB-CG 3.84Å; P94-R333 HydrophobicContact CG-CG 3.84Å; P94-R333 WeakPolarHBondContact O-CA 3.41Å; T96-R333 PolarHBondContact OG1-NE 2.81Å; T96-R333 PolarHBondContact OG1-NH2 3.26Å; R329-R333 PolarHBondContact O-N 2.81Å; A330-R333 PolarHBondContact O-N 3.43Å; R333-A336 PolarHBondContact O-N 3.44Å; R333-T337 WeakPolarHBondContact O-CB 3.49Å; R333-T337 PolarHBondContact O-N 2.97Å; R333-T337 PolarHBondContact O-OG1 3.21Å; R333-D442 IonicContact CZ-OD1 3.03Å; R333-D442 IonicContact NH1-OD1 3.34Å; R333-D442 PolarHBondContact NH1-OD1 3.38Å; R333-Y445 HydrophobicContact CB-CD2 4.04Å; R333-Y445 HydrophobicContact CB-CE2 4.11Å; R333-Y445 HydrophobicContact CG-CD2 3.94Å; R333-Y445 HydrophobicContact CG-CE2 3.68Å
334	L	98	Very high	96.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.8	-47.5	-178.5	-168.1	60.5	0	0	0	112	V281 I285 A330 A331 R332 T337 L338 Y445 A448 L449 I452	V281-L334 HydrophobicContact CG1-CD2 3.77Å; I285-L334 HydrophobicContact CG1-CD2 4.39Å; A330-L334 VanDerWaalsContact O-CB 3.27Å; A330-L334 WeakPolarHBondContact O-CB 3.32Å; A330-L334 PolarHBondContact O-N 2.93Å; A331-L334 PolarHBondContact O-N 2.93Å; R332-L334 VanDerWaalsContact C-N 3.33Å; R332-L334 PolarHBondContact O-N 3.33Å; L334-T337 PolarHBondContact O-N 3.49Å; L334-L338 HydrophobicContact CD1-CD1 4.04Å; L334-L338 HydrophobicContact CD1-CG 4.49Å; L334-L338 HydrophobicContact CG-CD1 3.92Å; L334-L338 WeakPolarHBondContact O-CB 3.47Å; L334-L338 VanDerWaalsContact O-CG 3.28Å; L334-L338 WeakPolarHBondContact O-CG 3.03Å; L334-L338 PolarHBondContact O-N 3.07Å; L334-Y445 VanDerWaalsContact CA-CE2 3.5Å; L334-Y445 HydrophobicContact CB-CD2 3.88Å; L334-Y445 HydrophobicContact CB-CE2 3.88Å; L334-Y445 HydrophobicContact CD1-CD2 4Å; L334-Y445 HydrophobicContact CD1-CE2 3.69Å; L334-Y445 HydrophobicContact CG-CE2 4.41Å; L334-A448 HydrophobicContact CD2-CB 3.86Å; L334-L449 HydrophobicContact CD1-CB 3.88Å; L334-L449 HydrophobicContact CD1-CD1 3.87Å; L334-L449 HydrophobicContact CD1-CG 4.34Å; L334-I452 HydrophobicContact CD1-CD1 4.36Å; L334-I452 HydrophobicContact CD2-CD1 3.49Å; L334-I452 VanDerWaalsContact CD2-CD1 3.49Å; L334-I452 HydrophobicContact CG-CD1 3.98Å
335	W	97.8	Very high	96.5	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-59.5	-50.3	174.7	178.8	-105.4	0	0	0	112.2	I285 L311 F313 A331 R332 T337 L338 I339 L353	I285-W335 HydrophobicContact CD1-CB 3.93Å; I285-W335 HydrophobicContact CD1-CE3 4.03Å; I285-W335 HydrophobicContact CG2-CE3 4.35Å; L311-W335 HydrophobicContact CD1-CH2 4.1Å; L311-W335 HydrophobicContact CD1-CZ2 3.79Å; F313-W335 HydrophobicContact CE1-CE3 4.4Å; F313-W335 HydrophobicContact CE2-CD2 4.1Å; F313-W335 AromaticContact CE2-CE2 3.97Å; F313-W335 HydrophobicContact CE2-CE3 4.39Å; F313-W335 HydrophobicContact CE2-CH2 4.38Å; F313-W335 HydrophobicContact CE2-CZ2 4.12Å; F313-W335 AromaticContact CZ-CD2 3.73Å; F313-W335 HydrophobicContact CZ-CD2 3.73Å; F313-W335 AromaticContact CZ-CE2 3.96Å; F313-W335 AromaticContact CZ-CE3 3.59Å; F313-W335 HydrophobicContact CZ-CE3 3.59Å; F313-W335 HydrophobicContact CZ-CG 4.45Å; F313-W335 AromaticContact CZ-CH2 3.88Å; F313-W335 HydrophobicContact CZ-CH2 3.88Å; F313-W335 HydrophobicContact CZ-CZ2 4.04Å; F313-W335 AromaticContact CZ-CZ3 3.68Å; F313-W335 HydrophobicContact CZ-CZ3 3.68Å; A331-W335 VanDerWaalsContact O-CB 3.31Å; A331-W335 WeakPolarHBondContact O-CB 3.44Å; A331-W335 PolarHBondContact O-N 3.34Å; R332-W335 PolarHBondContact O-N 3.49Å; W335-T337 VanDerWaalsContact C-N 3.31Å; W335-T337 PolarHBondContact O-N 3.02Å; W335-L338 PolarHBondContact O-N 2.92Å; W335-I339 HydrophobicContact CD2-CD1 4.31Å; W335-I339 HydrophobicContact CD2-CG1 3.69Å; W335-I339 VanDerWaalsContact CE2-CG1 3.45Å; W335-I339 HydrophobicContact CE3-CD1 4.18Å; W335-I339 HydrophobicContact CE3-CG1 3.99Å; W335-I339 HydrophobicContact CG-CG1 4.27Å; W335-I339 HydrophobicContact CH2-CD1 3.56Å; W335-I339 HydrophobicContact CH2-CG1 3.97Å; W335-I339 HydrophobicContact CZ2-CD1 3.66Å; W335-I339 HydrophobicContact CZ2-CG1 3.62Å; W335-I339 HydrophobicContact CZ3-CD1 3.8Å; W335-I339 HydrophobicContact CZ3-CG1 4.12Å; W335-I339 WeakPolarHBondContact O-CB 3.1Å; W335-I339 WeakPolarHBondContact O-CG1 3.49Å; W335-I339 PolarHBondContact O-N 3.34Å; W335-L353 HydrophobicContact CB-CB 4.08Å; W335-L353 HydrophobicContact CB-CD1 3.85Å; W335-L353 HydrophobicContact CB-CG 4.49Å; W335-L353 HydrophobicContact CG-CB 3.99Å; W335-L353 HydrophobicContact CG-CD1 4.29Å
336	A	96.9	Very high	96.1	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.3	-42.8	-178	0	0	0	0	0	111.7	F93 Y95 R332 R333 K340 L351	F93-A336 HydrophobicContact CD2-CB 4.07Å; F93-A336 HydrophobicContact CE2-CB 3.93Å; Y95-A336 HydrophobicContact CD2-CB 3.83Å; Y95-A336 HydrophobicContact CE2-CB 4.32Å; R332-A336 WeakPolarHBondContact O-CB 3.46Å; R332-A336 PolarHBondContact O-N 2.91Å; R333-A336 PolarHBondContact O-N 3.44Å; A336-K340 VanDerWaalsContact O-CB 3.23Å; A336-K340 WeakPolarHBondContact O-CB 3.43Å; A336-K340 PolarHBondContact O-N 3.31Å; A336-K340 VanDerWaalsContact O-N 3.14Å; A336-L351 HydrophobicContact CB-CB 4.27Å
337	T	96.9	Very high	95.6	Very high	19 Å²	19	37.7 Å²	37.7	12%	0.117	18%	0.177	C	C	.	.	H	α-helix	trans	-63.3	-53.7	176.3	-60.5	0	0	0	0	111.2	R333 L334 W335 I339 K340 E341	R333-T337 WeakPolarHBondContact O-CB 3.49Å; R333-T337 PolarHBondContact O-N 2.97Å; R333-T337 PolarHBondContact O-OG1 3.21Å; L334-T337 PolarHBondContact O-N 3.49Å; W335-T337 VanDerWaalsContact C-N 3.31Å; W335-T337 PolarHBondContact O-N 3.02Å; T337-I339 PolarHBondContact O-N 3.23Å; T337-K340 PolarHBondContact O-N 3.06Å; T337-E341 HydrophobicContact CG2-CG 4.3Å; T337-E341 VanDerWaalsContact CG2-OE1 3.27Å; T337-E341 WeakPolarHBondContact CG2-OE1 3.27Å; T337-E341 WeakPolarHBondContact O-CB 3.3Å; T337-E341 WeakPolarHBondContact O-CG 3.49Å; T337-E341 PolarHBondContact O-N 3.48Å
338	L	96.4	Very high	95.1	Very high	12 Å²	12	41.5 Å²	41.5	6%	0.063	20%	0.202	C	C	.	.	H	α-helix	trans	-64.7	-38.9	-175.7	-70	168.1	0	0	0	112.6	I285 L289 L334 W335 N342 L449 I452	I285-L338 HydrophobicContact CG2-CD1 3.6Å; L289-L338 HydrophobicContact CD1-CD1 4.44Å; L289-L338 HydrophobicContact CD2-CB 4.22Å; L334-L338 HydrophobicContact CD1-CD1 4.04Å; L334-L338 HydrophobicContact CD1-CG 4.49Å; L334-L338 HydrophobicContact CG-CD1 3.92Å; L334-L338 WeakPolarHBondContact O-CB 3.47Å; L334-L338 VanDerWaalsContact O-CG 3.28Å; L334-L338 WeakPolarHBondContact O-CG 3.03Å; L334-L338 PolarHBondContact O-N 3.07Å; W335-L338 PolarHBondContact O-N 2.92Å; L338-N342 WeakPolarHBondContact O-CB 3.3Å; L338-N342 PolarHBondContact O-N 3.41Å; L338-L449 HydrophobicContact CD2-CD1 4.15Å; L338-I452 HydrophobicContact CD1-CD1 3.91Å; L338-I452 HydrophobicContact CD1-CG2 4.18Å
339	I	95	Very high	94.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.6	-40.9	176.1	-64.8	-57.7	0	0	0	111.3	L289 W335 T337 F343 Q344 P345 L351	L289-I339 HydrophobicContact CD2-CD1 4.07Å; W335-I339 HydrophobicContact CD2-CD1 4.31Å; W335-I339 HydrophobicContact CD2-CG1 3.69Å; W335-I339 VanDerWaalsContact CE2-CG1 3.45Å; W335-I339 HydrophobicContact CE3-CD1 4.18Å; W335-I339 HydrophobicContact CE3-CG1 3.99Å; W335-I339 HydrophobicContact CG-CG1 4.27Å; W335-I339 HydrophobicContact CH2-CD1 3.56Å; W335-I339 HydrophobicContact CH2-CG1 3.97Å; W335-I339 HydrophobicContact CZ2-CD1 3.66Å; W335-I339 HydrophobicContact CZ2-CG1 3.62Å; W335-I339 HydrophobicContact CZ3-CD1 3.8Å; W335-I339 HydrophobicContact CZ3-CG1 4.12Å; W335-I339 WeakPolarHBondContact O-CB 3.1Å; W335-I339 WeakPolarHBondContact O-CG1 3.49Å; W335-I339 PolarHBondContact O-N 3.34Å; T337-I339 PolarHBondContact O-N 3.23Å; I339-F343 HydrophobicContact CD1-CD2 3.65Å; I339-F343 HydrophobicContact CD1-CE2 3.74Å; I339-F343 HydrophobicContact CG2-CD2 4.46Å; I339-F343 PolarHBondContact O-N 2.92Å; I339-Q344 PolarHBondContact O-N 3.42Å; I339-P345 HydrophobicContact CG2-CG 4.05Å; I339-P345 WeakPolarHBondContact O-CD 3.38Å; I339-L351 HydrophobicContact CB-CD2 3.99Å; I339-L351 HydrophobicContact CG2-CD2 3.75Å
340	K	94.6	Very high	94.1	Very high	103 Å²	103	46.2 Å²	46.2	45%	0.448	22%	0.223	S	C	.	.	H	α-helix	trans	-63.4	-45.9	177.3	-172.6	178.1	-179.6	-176.5	0	111.6	F93 A336 T337 Q344 L351	F93-K340 HydrophobicContact CD2-CD 4.42Å; F93-K340 HydrophobicContact CE1-CD 4.44Å; F93-K340 HydrophobicContact CE2-CB 4.45Å; F93-K340 HydrophobicContact CE2-CD 3.71Å; F93-K340 HydrophobicContact CZ-CD 3.72Å; A336-K340 VanDerWaalsContact O-CB 3.23Å; A336-K340 WeakPolarHBondContact O-CB 3.43Å; A336-K340 PolarHBondContact O-N 3.31Å; A336-K340 VanDerWaalsContact O-N 3.14Å; T337-K340 PolarHBondContact O-N 3.06Å; K340-Q344 WeakPolarHBondContact O-CA 3.38Å; K340-Q344 PolarHBondContact O-N 3.48Å; K340-L351 HydrophobicContact CB-CD2 3.91Å
341	E	94.8	Very high	93.8	Very high	122 Å²	122	46.9 Å²	46.9	57%	0.57	23%	0.226	S	C	*	.	H	α-helix	trans	-71.3	-40	-177.4	-72.5	176.6	177.6	0	0	112.9	T337 Q344	T337-E341 HydrophobicContact CG2-CG 4.3Å; T337-E341 VanDerWaalsContact CG2-OE1 3.27Å; T337-E341 WeakPolarHBondContact CG2-OE1 3.27Å; T337-E341 WeakPolarHBondContact O-CB 3.3Å; T337-E341 WeakPolarHBondContact O-CG 3.49Å; T337-E341 PolarHBondContact O-N 3.48Å; E341-Q344 PolarHBondContact O-NE2 2.69Å
342	N	92.7	Very high	93.6	Very high	66 Å²	66	47.7 Å²	47.7	35%	0.353	23%	0.23	S	C	.	.	H	α-helix	trans	-92.7	-26.8	-171.7	-65.7	-7.9	0	0	0	114	L338	L338-N342 WeakPolarHBondContact O-CB 3.3Å; L338-N342 PolarHBondContact O-N 3.41Å
343	F	91.6	Very high	93.4	Very high	29 Å²	29	47.7 Å²	47.7	13%	0.127	23%	0.23	C	C	.	.	H	α-helix	trans	-127.4	-6.8	-171.4	-55.5	-73	0	0	0	114.9	L289 C292 R293 L296 I302 I339	L289-F343 HydrophobicContact CD2-CE2 3.87Å; C292-F343 HydrophobicContact CB-CE1 4.15Å; C292-F343 HydrophobicContact CB-CE2 3.81Å; C292-F343 HydrophobicContact CB-CZ 3.59Å; R293-F343 HydrophobicContact CG-CE1 4.48Å; R293-F343 HydrophobicContact CG-CZ 4.44Å; L296-F343 HydrophobicContact CD1-CD1 3.66Å; L296-F343 HydrophobicContact CD1-CE1 3.72Å; I302-F343 HydrophobicContact CB-CB 4.25Å; I302-F343 HydrophobicContact CD1-CB 4.12Å; I302-F343 HydrophobicContact CD1-CD2 4.36Å; I302-F343 HydrophobicContact CD1-CG 4.14Å; I302-F343 HydrophobicContact CG1-CB 3.85Å; I302-F343 HydrophobicContact CG1-CG 4.42Å; I302-F343 HydrophobicContact CG2-CB 4.48Å; I339-F343 HydrophobicContact CD1-CD2 3.65Å; I339-F343 HydrophobicContact CD1-CE2 3.74Å; I339-F343 HydrophobicContact CG2-CD2 4.46Å; I339-F343 PolarHBondContact O-N 2.92Å
344	Q	92.7	Very high	93.2	Very high	133 Å²	133	47.8 Å²	47.8	62%	0.621	23%	0.231	S	C	*	.			trans	41.6	56.2	176.3	-52.1	85.8	30.3	0	0	114.6	I339 K340 E341	I339-Q344 PolarHBondContact O-N 3.42Å; K340-Q344 WeakPolarHBondContact O-CA 3.38Å; K340-Q344 PolarHBondContact O-N 3.48Å; E341-Q344 PolarHBondContact O-NE2 2.69Å
345	P	91.2	Very high	93	Very high	23 Å²	23	48 Å²	48	15%	0.149	23%	0.232	C	C	.	.			trans	-63.5	146.4	-178.9	29.6	-36.5	0	0	0	111.7	I302 D303 I339 L351	I302-P345 HydrophobicContact CG1-CB 4.45Å; I302-P345 HydrophobicContact CG2-CB 3.82Å; D303-P345 WeakPolarHBondContact OD1-CB 3.34Å; I339-P345 HydrophobicContact CG2-CG 4.05Å; I339-P345 WeakPolarHBondContact O-CD 3.38Å; P345-L351 HydrophobicContact CG-CD2 3.51Å; P345-L351 HydrophobicContact CG-CG 4.18Å
346	K	90.1	Very high	92.9	Very high	196 Å²	196	49.1 Å²	49.1	85%	0.852	24%	0.237	S	C	*	.	S	Bend	trans	-84.2	-28.7	173.7	-59.8	179.2	-179.6	175.8	0	111.4	D303 P348	D303-K346 WeakPolarHBondContact OD2-CA 3.46Å; D303-K346 VanDerWaalsContact OD2-CB 3.31Å; D303-K346 WeakPolarHBondContact OD2-CB 3.46Å; D303-K346 PolarHBondContact OD2-N 3.39Å; K346-P348 WeakPolarHBondContact O-CD 3.35Å
347	N	88.2	Confident	93	Very high	56 Å²	56	49.1 Å²	49.1	30%	0.299	24%	0.237	S	C	.	.	S	Bend	trans	-91.4	118	178.8	-169	-15.6	0	0	0	110.6	D303 P307 K349 S350	D303-N347 HydrophobicContact CB-CB 4.44Å; D303-N347 VanDerWaalsContact OD1-CB 3.26Å; D303-N347 WeakPolarHBondContact OD1-CB 3.25Å; D303-N347 PolarHBondContact OD1-N 2.69Å; D303-N347 VanDerWaalsContact OD1-N 3.11Å; D303-N347 PolarHBondContact OD2-N 2.89Å; P307-N347 HydrophobicContact CB-CB 4.33Å; P307-N347 WeakPolarHBondContact CB-ND2 3.44Å; P307-N347 HydrophobicContact CG-CB 4.42Å; N347-K349 PolarHBondContact O-N 3.35Å; N347-K349 VanDerWaalsContact OD1-CB 3.27Å; N347-K349 WeakPolarHBondContact OD1-CB 3.13Å; N347-K349 PolarHBondContact OD1-N 3Å; N347-S350 WeakPolarHBondContact O-CB 3.35Å; N347-S350 PolarHBondContact O-N 3.38Å; N347-S350 PolarHBondContact O-OG 2.91Å
348	P	87.5	Confident	93.1	Very high	80 Å²	80	48.9 Å²	48.9	52%	0.519	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-60.7	-20.3	178.5	18.5	-27.7	0	0	0	113.4	Y95 K346 S350 L351	Y95-P348 PolarHBondContact OH-O 3.21Å; K346-P348 WeakPolarHBondContact O-CD 3.35Å; P348-S350 PolarHBondContact O-N 2.97Å; P348-L351 WeakPolarHBondContact O-CB 3.48Å; P348-L351 PolarHBondContact O-N 3.25Å
349	K	87.5	Confident	93.2	Very high	98 Å²	98	48.3 Å²	48.3	43%	0.426	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-67.8	-20.8	175.1	-71.2	159.8	164.5	-165.8	0	113.8	P307 I308 N347 L351 L352	P307-K349 HydrophobicContact CB-CB 3.98Å; I308-K349 HydrophobicContact CB-CB 4.23Å; I308-K349 HydrophobicContact CB-CD 4.3Å; I308-K349 HydrophobicContact CD1-CB 4.32Å; I308-K349 HydrophobicContact CD1-CD 3.28Å; I308-K349 HydrophobicContact CD1-CG 3.74Å; I308-K349 VanDerWaalsContact CD1-NZ 3.3Å; I308-K349 HydrophobicContact CG1-CB 3.86Å; I308-K349 HydrophobicContact CG1-CD 3.78Å; I308-K349 HydrophobicContact CG1-CG 3.82Å; N347-K349 PolarHBondContact O-N 3.35Å; N347-K349 VanDerWaalsContact OD1-CB 3.27Å; N347-K349 WeakPolarHBondContact OD1-CB 3.13Å; N347-K349 PolarHBondContact OD1-N 3Å; K349-L351 PolarHBondContact O-N 2.95Å; K349-L352 HydrophobicContact CB-CD1 4.36Å; K349-L352 HydrophobicContact CG-CD1 4.33Å; K349-L352 PolarHBondContact O-N 2.65Å
350	S	89.4	Confident	93.3	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.014	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-68	-19.1	174.6	-58.3	0	0	0	0	112.4	D303 P307 N347 P348	D303-S350 PolarHBondContact OD1-OG 3.11Å; P307-S350 WeakPolarHBondContact CB-OG 3.27Å; P307-S350 VanDerWaalsContact CD-OG 3.31Å; P307-S350 WeakPolarHBondContact CD-OG 3.34Å; P307-S350 WeakPolarHBondContact CG-OG 3.22Å; N347-S350 WeakPolarHBondContact O-CB 3.35Å; N347-S350 PolarHBondContact O-N 3.38Å; N347-S350 PolarHBondContact O-OG 2.91Å; P348-S350 PolarHBondContact O-N 2.97Å
351	L	93.3	Very high	93.3	Very high	13 Å²	13	44.3 Å²	44.3	7%	0.068	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-87.1	-5.7	179.5	-54.8	179.8	0	0	0	113.2	F93 Y95 A336 I339 K340 P345 P348 K349 L353	F93-L351 HydrophobicContact CD2-CD1 3.85Å; F93-L351 HydrophobicContact CE2-CD1 4.31Å; Y95-L351 HydrophobicContact CD2-CB 4.49Å; Y95-L351 HydrophobicContact CE2-CB 3.7Å; Y95-L351 HydrophobicContact CE2-CD1 4.4Å; A336-L351 HydrophobicContact CB-CB 4.27Å; I339-L351 HydrophobicContact CB-CD2 3.99Å; I339-L351 HydrophobicContact CG2-CD2 3.75Å; K340-L351 HydrophobicContact CB-CD2 3.91Å; P345-L351 HydrophobicContact CG-CD2 3.51Å; P345-L351 HydrophobicContact CG-CG 4.18Å; P348-L351 WeakPolarHBondContact O-CB 3.48Å; P348-L351 PolarHBondContact O-N 3.25Å; K349-L351 PolarHBondContact O-N 2.95Å; L351-L353 PolarHBondContact O-N 3.1Å
352	L	93.9	Very high	93.3	Very high	17 Å²	17	41.8 Å²	41.8	9%	0.089	21%	0.205	C	C	.	.			trans	-81.6	121.4	-173.4	-61.5	177.8	0	0	0	111.1	Y95 P99 K349 R354	Y95-L352 HydrophobicContact CD1-CD2 3.61Å; Y95-L352 HydrophobicContact CD2-CD2 4.11Å; Y95-L352 HydrophobicContact CE1-CD2 3.46Å; Y95-L352 VanDerWaalsContact CE1-CD2 3.46Å; Y95-L352 HydrophobicContact CE2-CD2 3.99Å; Y95-L352 HydrophobicContact CG-CD2 3.93Å; P99-L352 HydrophobicContact CB-CD2 4.04Å; K349-L352 HydrophobicContact CB-CD1 4.36Å; K349-L352 HydrophobicContact CG-CD1 4.33Å; K349-L352 PolarHBondContact O-N 2.65Å; L352-R354 HydrophobicContact CB-CG 4.47Å
353	L	95.4	Very high	93.5	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	19%	0.192	C	C	.	.			trans	-87.8	109.9	163.9	-173.3	166.8	0	0	0	108.6	I285 F313 W315 A331 R332 W335 L351 T355	I285-L353 HydrophobicContact CD1-CD1 3.98Å; F313-L353 HydrophobicContact CB-CD2 3.91Å; F313-L353 HydrophobicContact CB-CG 4.3Å; F313-L353 HydrophobicContact CD1-CD1 4.22Å; F313-L353 HydrophobicContact CD1-CG 4.33Å; F313-L353 HydrophobicContact CD2-CB 4.44Å; F313-L353 HydrophobicContact CD2-CD1 4.23Å; F313-L353 HydrophobicContact CD2-CD2 3.99Å; F313-L353 HydrophobicContact CD2-CG 3.5Å; F313-L353 HydrophobicContact CE1-CD1 4.34Å; F313-L353 HydrophobicContact CE2-CB 4.47Å; F313-L353 HydrophobicContact CE2-CD1 4.32Å; F313-L353 HydrophobicContact CE2-CG 3.82Å; F313-L353 HydrophobicContact CG-CD1 4.16Å; F313-L353 HydrophobicContact CG-CD2 3.95Å; F313-L353 HydrophobicContact CG-CG 3.77Å; F313-L353 HydrophobicContact CZ-CD1 4.38Å; F313-L353 HydrophobicContact CZ-CG 4.36Å; W315-L353 HydrophobicContact CZ2-CD1 4.18Å; A331-L353 HydrophobicContact CB-CD1 4.01Å; A331-L353 WeakPolarHBondContact O-CD1 3.43Å; R332-L353 HydrophobicContact CG-CB 4.07Å; R332-L353 HydrophobicContact CG-CD2 4.28Å; W335-L353 HydrophobicContact CB-CB 4.08Å; W335-L353 HydrophobicContact CB-CD1 3.85Å; W335-L353 HydrophobicContact CB-CG 4.49Å; W335-L353 HydrophobicContact CG-CB 3.99Å; W335-L353 HydrophobicContact CG-CD1 4.29Å; L351-L353 PolarHBondContact O-N 3.1Å; L353-T355 HydrophobicContact CD2-CG2 4.37Å
354	R	92.9	Very high	93.7	Very high	31 Å²	31	38.4 Å²	38.4	12%	0.117	19%	0.189	C	C	.	.			trans	-106.9	132.1	173.8	-59.6	170.1	-62.3	162.6	8.8	108.6	Y100 I308 L311 S312 F313 L352 Q389	Y100-R354 WeakPolarHBondContact OH-CD 3.23Å; I308-R354 PolarHBondContact O-NH1 3.49Å; L311-R354 PolarHBondContact O-NH2 3.48Å; S312-R354 CarbonylContact C-O 3.44Å; S312-R354 WeakPolarHBondContact CA-O 3.27Å; F313-R354 PolarHBondContact N-O 3.37Å; L352-R354 HydrophobicContact CB-CG 4.47Å; R354-Q389 HydrophobicContact CB-CG 4.45Å
355	T	95	Very high	93.7	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.018	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	148.8	-168.5	-163.5	0	0	0	0	114.5	F313 W315 L328 L353 T388 Q389 S390	F313-T355 CarbonylContact O-C 3.53Å; F313-T355 VanDerWaalsContact O-CA 3.31Å; F313-T355 WeakPolarHBondContact O-CA 3.47Å; F313-T355 PolarHBondContact O-OG1 3.35Å; W315-T355 PolarHBondContact NE1-OG1 2.78Å; L328-T355 HydrophobicContact CD2-CG2 3.93Å; L353-T355 HydrophobicContact CD2-CG2 4.37Å; T355-T388 PolarHBondContact O-OG1 2.69Å; T355-Q389 WeakPolarHBondContact O-CA 3.1Å; T355-Q389 WeakPolarHBondContact O-CB 3.24Å; T355-Q389 PolarHBondContact O-N 3.49Å; T355-S390 PolarHBondContact O-N 3.3Å
356	H	95.8	Very high	93.7	Very high	26 Å²	26	32.8 Å²	32.8	12%	0.12	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	146.7	158.4	-179.6	55.5	0	0	0	108.9	F313 F314 W315 S390 H392	F313-H356 PolarHBondContact O-N 3.39Å; F314-H356 CarbonylContact C-O 3.53Å; F314-H356 VanDerWaalsContact CA-O 3.31Å; F314-H356 WeakPolarHBondContact CA-O 3.23Å; F314-H356 HydrophobicContact CD2-CB 4.1Å; F314-H356 AromaticContact CD2-CD2 3.38Å; F314-H356 WeakPolarHBondContact CD2-CD2 3.27Å; F314-H356 AromaticContact CE2-CD2 3.38Å; F314-H356 WeakPolarHBondContact CE2-CD2 3.47Å; F314-H356 AromaticContact CE2-NE2 3.98Å; W315-H356 PolarHBondContact N-O 2.75Å; H356-S390 CarbonylContact C-O 3.49Å; H356-S390 WeakPolarHBondContact CA-O 3.4Å; H356-S390 PolarHBondContact ND1-O 2.59Å; H356-S390 VanDerWaalsContact ND1-O 3.08Å; H356-S390 PolarHBondContact ND1-OG 3.1Å; H356-H392 PolarHBondContact CE1-N 3.05Å
357	C	98.2	Very high	93.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	146.3	168.6	-70.4	0	0	0	0	110	W315 I317 A383 T388 S390 L391 H392	W315-C357 WeakPolarHBondContact O-CA 3.38Å; I317-C357 HydrophobicContact CD1-CB 4.43Å; I317-C357 HydrophobicContact CG1-CB 3.82Å; C357-A383 HydrophobicContact CB-CB 3.87Å; C357-T388 HydrophobicContact CB-CG2 4.47Å; C357-T388 PolarHBondContact N-OG1 2.63Å; C357-T388 VanDerWaalsContact SG-CB 3.59Å; C357-T388 PolarHBondContact SG-OG1 3.23Å; C357-S390 PolarHBondContact N-O 3.19Å; C357-L391 HydrophobicContact CB-CD1 3.86Å; C357-L391 CarbonylContact O-C 3.55Å; C357-L391 WeakPolarHBondContact O-CA 3.24Å; C357-L391 WeakPolarHBondContact O-CD1 3.39Å; C357-H392 PolarHBondContact O-N 3.37Å
358	Q	98.3	Very high	94	Very high	15 Å²	15	24.5 Å²	24.5	7%	0.07	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.6	166	178.2	166.5	-0.9	0	0	108.1	Y268 F314 W315 G316 I317 H392 N394	Y268-Q358 HydrophobicContact CD2-CB 3.89Å; Y268-Q358 HydrophobicContact CD2-CG 4.24Å; Y268-Q358 HydrophobicContact CE2-CB 3.83Å; Y268-Q358 HydrophobicContact CE2-CG 3.65Å; Y268-Q358 PolarHBondContact OH-NE2 3.15Å; F314-Q358 HydrophobicContact CE2-CB 3.46Å; F314-Q358 VanDerWaalsContact CE2-CB 3.46Å; F314-Q358 HydrophobicContact CZ-CB 3.69Å; W315-Q358 PolarHBondContact O-N 3.4Å; W315-Q358 VanDerWaalsContact O-N 3.07Å; G316-Q358 CarbonylContact C-O 3.54Å; G316-Q358 WeakPolarHBondContact CA-O 3.34Å; I317-Q358 PolarHBondContact N-O 3.38Å; Q358-H392 WeakPolarHBondContact CA-O 3.45Å; Q358-H392 HydrophobicContact CB-CB 3.96Å; Q358-H392 HydrophobicContact CG-CB 3.9Å; Q358-N394 PolarHBondContact NE2-OD1 3.01Å
359	T	98.6	Very high	94.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	147.2	170.7	55.6	0	0	0	0	109.9	I317 G361 T376 E379 H392 T393 N394	I317-T359 CarbonylContact O-C 3.53Å; T359-G361 PolarHBondContact O-N 3.26Å; T359-T376 HydrophobicContact CG2-CG2 4.05Å; T359-E379 WeakPolarHBondContact CB-OE2 3.46Å; T359-E379 HydrophobicContact CG2-CB 3.61Å; T359-H392 PolarHBondContact N-O 3.4Å; T359-T393 HydrophobicContact CG2-CG2 4.14Å; T359-N394 PolarHBondContact O-ND2 2.86Å; T359-N394 VanDerWaalsContact OG1-CG 3.23Å; T359-N394 PolarHBondContact OG1-N 2.99Å; T359-N394 PolarHBondContact OG1-ND2 2.98Å
360	S	97.9	Very high	94.7	Very high	3 Å²	3	21 Å²	21	2%	0.021	10%	0.101	C	C	.	.			trans	-64	129.2	-175.6	-178.5	0	0	0	0	110.6	E272 I317 S363 N394	E272-S360 WeakPolarHBondContact OE1-CA 3.48Å; E272-S360 WeakPolarHBondContact OE1-CB 3.42Å; E272-S360 PolarHBondContact OE1-OG 3.1Å; I317-S360 PolarHBondContact O-N 2.97Å; S360-S363 PolarHBondContact O-OG 3.23Å; S360-S363 VanDerWaalsContact O-OG 3.07Å; S360-S363 PolarHBondContact OG-N 3.43Å; S360-N394 PolarHBondContact O-ND2 3.12Å
361	G	94.1	Very high	95	Very high	16 Å²	16	22.6 Å²	22.6	17%	0.165	11%	0.109	C	C	.	.	S	Bend	trans	-75.2	-38.6	173.2	0	0	0	0	0	110.3	E272 T359 S363 L364 N394	E272-G361 VanDerWaalsContact OE2-CA 3.28Å; E272-G361 WeakPolarHBondContact OE2-CA 3.11Å; E272-G361 PolarHBondContact OE2-N 3.06Å; T359-G361 PolarHBondContact O-N 3.26Å; G361-S363 VanDerWaalsContact C-N 3.27Å; G361-S363 PolarHBondContact O-N 3.08Å; G361-L364 WeakPolarHBondContact O-CB 3.39Å; G361-L364 PolarHBondContact O-N 2.9Å; G361-L364 VanDerWaalsContact O-N 3.13Å; G361-N394 WeakPolarHBondContact CA-ND2 3.35Å; G361-N394 PolarHBondContact N-ND2 3.28Å
362	W	95.3	Very high	95.2	Very high	68 Å²	68	22 Å²	22	26%	0.258	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.2	177.9	177.4	84.4	0	0	0	114	E272 L364 R481 I485 R638	E272-W362 PolarHBondContact OE2-N 3.44Å; W362-L364 PolarHBondContact O-N 3.46Å; W362-R481 HydrophobicContact CH2-CG 4.35Å; W362-R481 VanDerWaalsContact CZ3-NH1 3.32Å; W362-I485 HydrophobicContact CH2-CD1 3.67Å; W362-I485 HydrophobicContact CZ2-CD1 3.62Å; W362-R638 VanDerWaalsContact CD1-CZ 3.48Å; W362-R638 VanDerWaalsContact CD2-NH1 3.34Å; W362-R638 VanDerWaalsContact CE2-CZ 3.45Å; W362-R638 VanDerWaalsContact NE1-NH2 3.15Å
363	S	96.6	Very high	95.4	Very high	13 Å²	13	23 Å²	23	9%	0.091	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-15.3	177	73.1	0	0	0	0	113.3	S360 G361 R375 E379	S360-S363 PolarHBondContact O-OG 3.23Å; S360-S363 VanDerWaalsContact O-OG 3.07Å; S360-S363 PolarHBondContact OG-N 3.43Å; G361-S363 VanDerWaalsContact C-N 3.27Å; G361-S363 PolarHBondContact O-N 3.08Å; S363-R375 VanDerWaalsContact O-CD 3.3Å; S363-R375 WeakPolarHBondContact O-CD 3.36Å; S363-E379 VanDerWaalsContact CB-OE1 3.27Å; S363-E379 WeakPolarHBondContact CB-OE1 3.45Å; S363-E379 PolarHBondContact OG-OE1 3.27Å
364	L	95.6	Very high	95.6	Very high	12 Å²	12	27.9 Å²	27.9	6%	0.063	14%	0.138	C	C	.	.			trans	-83.8	140.3	-177.5	-51.5	-170.9	0	0	0	110.8	G361 W362 N372 R375 N394 S395 E398	G361-L364 WeakPolarHBondContact O-CB 3.39Å; G361-L364 PolarHBondContact O-N 2.9Å; G361-L364 VanDerWaalsContact O-N 3.13Å; W362-L364 PolarHBondContact O-N 3.46Å; L364-N372 WeakPolarHBondContact CA-OD1 3.22Å; L364-N372 HydrophobicContact CB-CB 4.43Å; L364-N372 HydrophobicContact CD2-CB 3.89Å; L364-R375 HydrophobicContact CD2-CB 4.28Å; L364-N394 HydrophobicContact CD1-CB 3.54Å; L364-S395 WeakPolarHBondContact CD1-O 3.4Å; L364-E398 HydrophobicContact CD1-CB 3.63Å; L364-E398 HydrophobicContact CD1-CG 4.26Å
365	T	94.1	Very high	95.8	Very high	10 Å²	10	27.5 Å²	27.5	6%	0.061	14%	0.136	C	C	.	.			trans	-107.2	143.5	-172.7	59.8	0	0	0	0	111	Q367 N372 R375 I492 V495	T365-Q367 WeakPolarHBondContact CB-O 3.21Å; T365-Q367 PolarHBondContact OG1-O 2.82Å; T365-N372 PolarHBondContact N-ND2 3.25Å; T365-N372 PolarHBondContact N-OD1 2.87Å; T365-N372 PolarHBondContact O-ND2 2.95Å; T365-N372 PolarHBondContact OG1-OD1 3.4Å; T365-R375 PolarHBondContact OG1-NH1 3.03Å; T365-I492 HydrophobicContact CG2-CG2 3.61Å; T365-V495 HydrophobicContact CG2-CG2 3.45Å; T365-V495 VanDerWaalsContact CG2-CG2 3.45Å
366	E	90.5	Very high	96	Very high	28 Å²	28	27.5 Å²	27.5	13%	0.131	14%	0.137	C	C	.	.	S	Bend	trans	-66	-44.7	167.7	163.7	174	-159.2	0	0	110.2	A399 L400 P733	E366-A399 HydrophobicContact CB-CB 4.45Å; E366-L400 HydrophobicContact CB-CD2 4.36Å; E366-L400 HydrophobicContact CG-CD2 3.7Å; E366-P733 HydrophobicContact CB-CB 4.04Å; E366-P733 HydrophobicContact CB-CG 4.23Å; E366-P733 WeakPolarHBondContact OE2-CD 3.33Å; E366-P733 WeakPolarHBondContact OE2-CG 3.21Å
367	Q	91.3	Very high	96.2	Very high	37 Å²	37	28.6 Å²	28.6	17%	0.173	15%	0.145	C	C	.	.	S	Bend	trans	-74.8	141	179.8	-58.2	80.6	6.1	0	0	111.1	T365 V495 P733	T365-Q367 WeakPolarHBondContact CB-O 3.21Å; T365-Q367 PolarHBondContact OG1-O 2.82Å; Q367-V495 HydrophobicContact CB-CG2 4.34Å; Q367-P733 PolarHBondContact NE2-O 3.19Å
368	D	93.1	Very high	96.2	Very high	41 Å²	41	31.2 Å²	31.2	22%	0.219	16%	0.158	C	C	.	.	S	Bend	trans	39.4	61.4	-177.2	-167.7	5.4	0	0	0	113.2	Y370 N371 L500 E503	D368-Y370 PolarHBondContact O-N 2.96Å; D368-Y370 VanDerWaalsContact O-N 3.11Å; D368-N371 WeakPolarHBondContact O-CB 3.46Å; D368-N371 PolarHBondContact O-N 2.62Å; D368-N371 VanDerWaalsContact O-N 3.1Å; D368-N371 PolarHBondContact O-ND2 3.23Å; D368-N371 PolarHBondContact OD2-ND2 2.78Å; D368-L500 HydrophobicContact CB-CD1 4.04Å; D368-E503 PolarHBondContact N-OE2 3.02Å
369	P	93	Very high	96.2	Very high	8 Å²	8	30.5 Å²	30.5	5%	0.052	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-13.3	-164	27.5	-35.4	0	0	0	113.3	N371 N372 F396 V506	P369-N371 PolarHBondContact O-N 3.13Å; P369-N372 WeakPolarHBondContact O-CB 3.39Å; P369-N372 PolarHBondContact O-N 2.71Å; P369-N372 PolarHBondContact O-ND2 3.48Å; P369-F396 HydrophobicContact CB-CD2 4.34Å; P369-V506 HydrophobicContact CG-CG2 3.61Å
370	Y	95.7	Very high	96.2	Very high	97 Å²	97	30.5 Å²	30.5	38%	0.38	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-23.3	173.3	-77.4	-78.5	0	0	0	112.8	D368 N372 V373 F396 K406	D368-Y370 PolarHBondContact O-N 2.96Å; D368-Y370 VanDerWaalsContact O-N 3.11Å; Y370-N372 PolarHBondContact O-N 3.24Å; Y370-V373 WeakPolarHBondContact O-CB 3.27Å; Y370-V373 PolarHBondContact O-N 3.27Å; Y370-V373 VanDerWaalsContact O-N 3.07Å; Y370-F396 HydrophobicContact CE1-CE2 4.41Å; Y370-F396 HydrophobicContact CE1-CZ 4.37Å; Y370-K406 PolarHBondContact OH-NZ 3.11Å
371	N	97	Very high	96.3	Very high	34 Å²	34	33 Å²	33	18%	0.182	17%	0.167	C	C	.	.	H	α-helix	trans	-59.4	-26.2	169.4	-70.4	-39.7	0	0	0	112.2	D368 P369 V373 I374 R375	D368-N371 WeakPolarHBondContact O-CB 3.46Å; D368-N371 PolarHBondContact O-N 2.62Å; D368-N371 VanDerWaalsContact O-N 3.1Å; D368-N371 PolarHBondContact O-ND2 3.23Å; D368-N371 PolarHBondContact OD2-ND2 2.78Å; P369-N371 PolarHBondContact O-N 3.13Å; N371-V373 PolarHBondContact O-N 3.41Å; N371-I374 WeakPolarHBondContact O-CB 3.45Å; N371-I374 PolarHBondContact O-N 2.86Å; N371-R375 PolarHBondContact O-N 3.07Å
372	N	97.5	Very high	96.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.8	-26.2	176.9	-62.5	-28.6	0	0	0	112.6	L364 T365 P369 Y370 I374 R375 T376 F396	L364-N372 WeakPolarHBondContact CA-OD1 3.22Å; L364-N372 HydrophobicContact CB-CB 4.43Å; L364-N372 HydrophobicContact CD2-CB 3.89Å; T365-N372 PolarHBondContact N-ND2 3.25Å; T365-N372 PolarHBondContact N-OD1 2.87Å; T365-N372 PolarHBondContact O-ND2 2.95Å; T365-N372 PolarHBondContact OG1-OD1 3.4Å; P369-N372 WeakPolarHBondContact O-CB 3.39Å; P369-N372 PolarHBondContact O-N 2.71Å; P369-N372 PolarHBondContact O-ND2 3.48Å; Y370-N372 PolarHBondContact O-N 3.24Å; N372-I374 VanDerWaalsContact C-N 3.32Å; N372-R375 PolarHBondContact O-N 2.99Å; N372-R375 PolarHBondContact OD1-NH1 2.73Å; N372-T376 VanDerWaalsContact O-CB 3.28Å; N372-T376 WeakPolarHBondContact O-CB 3.43Å; N372-T376 PolarHBondContact O-N 3.12Å; N372-T376 PolarHBondContact O-OG1 3.28Å; N372-F396 HydrophobicContact CB-CB 3.98Å; N372-F396 PolarHBondContact ND2-O 3.13Å
373	V	98.1	Very high	96.7	Very high	39 Å²	39	29 Å²	29	24%	0.236	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-45.4	172.1	-179.7	0	0	0	0	109.8	Y370 N371 V377 F396 I410	Y370-V373 WeakPolarHBondContact O-CB 3.27Å; Y370-V373 PolarHBondContact O-N 3.27Å; Y370-V373 VanDerWaalsContact O-N 3.07Å; N371-V373 PolarHBondContact O-N 3.41Å; V373-V377 VanDerWaalsContact O-CG2 3.22Å; V373-V377 WeakPolarHBondContact O-CG2 3.45Å; V373-V377 PolarHBondContact O-N 3.07Å; V373-F396 HydrophobicContact CG2-CB 3.79Å; V373-F396 HydrophobicContact CG2-CD1 4.35Å; V373-F396 HydrophobicContact CG2-CG 4.27Å; V373-I410 HydrophobicContact CG1-CG2 4.05Å; V373-I410 HydrophobicContact CG2-CG2 4.08Å
374	I	98.6	Very high	96.8	Very high	105 Å²	105	28.5 Å²	28.5	54%	0.538	14%	0.143	S	C	.	.	H	α-helix	trans	-68.4	-44.4	-179.6	-58.1	167.5	0	0	0	110.5	N371 N372 T376 V377 I378	N371-I374 WeakPolarHBondContact O-CB 3.45Å; N371-I374 PolarHBondContact O-N 2.86Å; N372-I374 VanDerWaalsContact C-N 3.32Å; I374-T376 PolarHBondContact O-N 3.2Å; I374-V377 PolarHBondContact O-N 2.97Å; I374-I378 HydrophobicContact CG2-CD1 4.1Å; I374-I378 WeakPolarHBondContact O-CG1 3.42Å; I374-I378 PolarHBondContact O-N 3.28Å; I374-I378 VanDerWaalsContact O-N 3.11Å
375	R	98.7	Very high	96.9	Very high	22 Å²	22	29.3 Å²	29.3	8%	0.083	15%	0.146	C	C	.	.	H	α-helix	trans	-55.5	-51.8	175.7	-66.3	-177.8	-177.7	108.3	-0.1	111.1	M319 S363 L364 T365 N371 N372 V377 I378 E379 V493	M319-R375 HydrophobicContact CE-CB 4.44Å; M319-R375 HydrophobicContact CE-CG 4.15Å; M319-R375 HydrophobicContact SD-CB 3.66Å; M319-R375 HydrophobicContact SD-CG 3.83Å; S363-R375 VanDerWaalsContact O-CD 3.3Å; S363-R375 WeakPolarHBondContact O-CD 3.36Å; L364-R375 HydrophobicContact CD2-CB 4.28Å; T365-R375 PolarHBondContact OG1-NH1 3.03Å; N371-R375 PolarHBondContact O-N 3.07Å; N372-R375 PolarHBondContact O-N 2.99Å; N372-R375 PolarHBondContact OD1-NH1 2.73Å; R375-V377 VanDerWaalsContact C-N 3.29Å; R375-V377 PolarHBondContact O-N 3.43Å; R375-I378 PolarHBondContact O-N 3.3Å; R375-I378 VanDerWaalsContact O-N 3.09Å; R375-E379 WeakPolarHBondContact O-CG 3.06Å; R375-E379 PolarHBondContact O-N 2.98Å; R375-V493 PolarHBondContact NH2-O 2.78Å
376	T	98.7	Very high	97.2	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.025	14%	0.143	C	C	.	.	H	α-helix	trans	-61.8	-35.3	-179.6	-56.3	0	0	0	0	112	T359 N372 I374 A380 T393	T359-T376 HydrophobicContact CG2-CG2 4.05Å; N372-T376 VanDerWaalsContact O-CB 3.28Å; N372-T376 WeakPolarHBondContact O-CB 3.43Å; N372-T376 PolarHBondContact O-N 3.12Å; N372-T376 PolarHBondContact O-OG1 3.28Å; I374-T376 PolarHBondContact O-N 3.2Å; T376-A380 WeakPolarHBondContact O-CB 3.34Å; T376-A380 PolarHBondContact O-N 3.33Å; T376-T393 HydrophobicContact CG2-CG2 3.87Å
377	V	98.8	Very high	97.5	Very high	49 Å²	49	27.8 Å²	27.8	30%	0.297	14%	0.14	S	C	.	.	H	α-helix	trans	-63.3	-46.6	174.2	169.2	0	0	0	0	111.1	V373 I374 R375 A380 M381 T414	V373-V377 VanDerWaalsContact O-CG2 3.22Å; V373-V377 WeakPolarHBondContact O-CG2 3.45Å; V373-V377 PolarHBondContact O-N 3.07Å; I374-V377 PolarHBondContact O-N 2.97Å; R375-V377 VanDerWaalsContact C-N 3.29Å; R375-V377 PolarHBondContact O-N 3.43Å; V377-A380 PolarHBondContact O-N 3.49Å; V377-M381 HydrophobicContact CG1-SD 4.1Å; V377-M381 VanDerWaalsContact O-CG 3.3Å; V377-M381 WeakPolarHBondContact O-CG 3.41Å; V377-M381 PolarHBondContact O-N 3.01Å; V377-T414 HydrophobicContact CB-CG2 4.37Å; V377-T414 HydrophobicContact CG2-CG2 3.69Å
378	I	98.9	Very high	97.9	Very high	55 Å²	55	26 Å²	26	28%	0.282	13%	0.132	S	C	.	.	H	α-helix	trans	-62.8	-45.9	179.8	-67.1	165.2	0	0	0	110.4	M319 F321 I374 R375 M381 A382	M319-I378 HydrophobicContact CE-CD1 3.97Å; M319-I378 HydrophobicContact CE-CG2 4.4Å; F321-I378 HydrophobicContact CB-CG2 4.35Å; F321-I378 HydrophobicContact CD2-CG2 3.98Å; I374-I378 HydrophobicContact CG2-CD1 4.1Å; I374-I378 WeakPolarHBondContact O-CG1 3.42Å; I374-I378 PolarHBondContact O-N 3.28Å; I374-I378 VanDerWaalsContact O-N 3.11Å; R375-I378 PolarHBondContact O-N 3.3Å; R375-I378 VanDerWaalsContact O-N 3.09Å; I378-M381 PolarHBondContact O-N 3.18Å; I378-A382 PolarHBondContact O-N 2.94Å
379	E	98.9	Very high	98	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.2	-43.9	177.9	-67.4	169.2	155	0	0	111.3	I317 M319 T359 S363 R375 M381 A382 A383	I317-E379 HydrophobicContact CG2-CB 4.1Å; I317-E379 WeakPolarHBondContact CG2-O 3.25Å; I317-E379 WeakPolarHBondContact O-CG 3.05Å; M319-E379 HydrophobicContact SD-CG 3.98Å; T359-E379 WeakPolarHBondContact CB-OE2 3.46Å; T359-E379 HydrophobicContact CG2-CB 3.61Å; S363-E379 VanDerWaalsContact CB-OE1 3.27Å; S363-E379 WeakPolarHBondContact CB-OE1 3.45Å; S363-E379 PolarHBondContact OG-OE1 3.27Å; R375-E379 WeakPolarHBondContact O-CG 3.06Å; R375-E379 PolarHBondContact O-N 2.98Å; E379-M381 VanDerWaalsContact C-N 3.31Å; E379-M381 PolarHBondContact O-N 3.31Å; E379-A382 PolarHBondContact O-N 3.38Å; E379-A383 PolarHBondContact O-N 2.87Å
380	A	98.9	Very high	98.1	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.9	-43.3	174.9	0	0	0	0	0	111.7	T376 V377 A382 A383 V384 L391 T393 T414 I418	T376-A380 WeakPolarHBondContact O-CB 3.34Å; T376-A380 PolarHBondContact O-N 3.33Å; V377-A380 PolarHBondContact O-N 3.49Å; A380-A382 PolarHBondContact O-N 3.5Å; A380-A383 WeakPolarHBondContact O-CB 3.41Å; A380-A383 PolarHBondContact O-N 2.93Å; A380-V384 VanDerWaalsContact O-CG2 3.25Å; A380-V384 WeakPolarHBondContact O-CG2 3.48Å; A380-V384 PolarHBondContact O-N 3.32Å; A380-L391 HydrophobicContact CB-CD2 3.96Å; A380-T393 HydrophobicContact CB-CG2 3.81Å; A380-T414 HydrophobicContact CB-CG2 4.15Å; A380-I418 HydrophobicContact CB-CD1 3.78Å
381	M	98.9	Very high	98.1	Very high	55 Å²	55	21.4 Å²	21.4	27%	0.271	11%	0.113	S	C	.	.	H	α-helix	trans	-62.9	-41.4	176.3	-72.8	175.7	64.7	0	0	111.9	F321 V377 I378 E379 A383 V384 F385 I418 I424	F321-M381 HydrophobicContact CE2-CB 3.89Å; V377-M381 HydrophobicContact CG1-SD 4.1Å; V377-M381 VanDerWaalsContact O-CG 3.3Å; V377-M381 WeakPolarHBondContact O-CG 3.41Å; V377-M381 PolarHBondContact O-N 3.01Å; I378-M381 PolarHBondContact O-N 3.18Å; E379-M381 VanDerWaalsContact C-N 3.31Å; E379-M381 PolarHBondContact O-N 3.31Å; M381-A383 PolarHBondContact O-N 3.36Å; M381-V384 PolarHBondContact O-N 2.92Å; M381-F385 HydrophobicContact CB-CD2 4.34Å; M381-F385 HydrophobicContact CB-CE2 4.24Å; M381-F385 HydrophobicContact CE-CE2 3.88Å; M381-F385 HydrophobicContact CE-CZ 4.42Å; M381-F385 WeakPolarHBondContact O-CB 3.23Å; M381-F385 WeakPolarHBondContact O-CD2 3.48Å; M381-F385 WeakPolarHBondContact O-CG 3.5Å; M381-F385 PolarHBondContact O-N 3Å; M381-I418 HydrophobicContact CG-CD1 4.1Å; M381-I424 HydrophobicContact CE-CD1 4Å
382	A	98.9	Very high	98.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.1	-43.7	175.3	0	0	0	0	0	111.7	I317 F321 E324 I325 I378 E379 A380 V384 F385 G386	I317-A382 HydrophobicContact CG2-CB 3.83Å; F321-A382 HydrophobicContact CD2-CB 3.71Å; F321-A382 HydrophobicContact CE2-CB 4.08Å; F321-A382 HydrophobicContact CG-CB 4.39Å; E324-A382 HydrophobicContact CB-CB 4.07Å; I325-A382 HydrophobicContact CG1-CB 4.24Å; I378-A382 PolarHBondContact O-N 2.94Å; E379-A382 PolarHBondContact O-N 3.38Å; A380-A382 PolarHBondContact O-N 3.5Å; A382-V384 VanDerWaalsContact C-N 3.33Å; A382-V384 PolarHBondContact O-N 2.8Å; A382-F385 PolarHBondContact O-N 3.12Å; A382-G386 PolarHBondContact O-N 2.72Å
383	A	98.8	Very high	98.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.1	-42.6	175.6	0	0	0	0	0	112.3	I317 C357 E379 A380 M381 G387 T388 L391	I317-A383 HydrophobicContact CD1-CB 4.37Å; I317-A383 HydrophobicContact CG1-CB 3.92Å; I317-A383 HydrophobicContact CG2-CB 4.5Å; C357-A383 HydrophobicContact CB-CB 3.87Å; E379-A383 PolarHBondContact O-N 2.87Å; A380-A383 WeakPolarHBondContact O-CB 3.41Å; A380-A383 PolarHBondContact O-N 2.93Å; M381-A383 PolarHBondContact O-N 3.36Å; A383-G387 PolarHBondContact O-N 3.32Å; A383-T388 HydrophobicContact CB-CG2 4.22Å; A383-T388 WeakPolarHBondContact O-CB 3.36Å; A383-T388 WeakPolarHBondContact O-CG2 3.45Å; A383-T388 PolarHBondContact O-N 3.37Å; A383-L391 HydrophobicContact CB-CD1 3.71Å; A383-L391 HydrophobicContact CB-CD2 4.38Å
384	V	98.8	Very high	98	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.012	10%	0.096	C	C	.	.	H	α-helix	trans	-66.6	-52.4	179	171.2	0	0	0	0	110.4	Y104 W109 A380 M381 A382 G386 G387 L391 I418 I424	Y104-V384 HydrophobicContact CD2-CG1 4.37Å; Y104-V384 HydrophobicContact CE2-CG1 3.86Å; Y104-V384 VanDerWaalsContact CE2-O 3.29Å; Y104-V384 WeakPolarHBondContact CE2-O 3.48Å; Y104-V384 PolarHBondContact OH-O 3.45Å; W109-V384 HydrophobicContact CD2-CG2 4.02Å; W109-V384 HydrophobicContact CE3-CG1 4.12Å; W109-V384 HydrophobicContact CE3-CG2 3.83Å; W109-V384 HydrophobicContact CH2-CB 4.41Å; W109-V384 HydrophobicContact CH2-CG1 4.04Å; W109-V384 HydrophobicContact CH2-CG2 3.42Å; W109-V384 VanDerWaalsContact CH2-CG2 3.42Å; W109-V384 HydrophobicContact CZ2-CG2 3.59Å; W109-V384 HydrophobicContact CZ3-CB 4.21Å; W109-V384 HydrophobicContact CZ3-CG1 3.55Å; W109-V384 HydrophobicContact CZ3-CG2 3.53Å; A380-V384 VanDerWaalsContact O-CG2 3.25Å; A380-V384 WeakPolarHBondContact O-CG2 3.48Å; A380-V384 PolarHBondContact O-N 3.32Å; M381-V384 PolarHBondContact O-N 2.92Å; A382-V384 VanDerWaalsContact C-N 3.33Å; A382-V384 PolarHBondContact O-N 2.8Å; V384-G386 VanDerWaalsContact C-N 3.26Å; V384-G386 PolarHBondContact O-N 3.41Å; V384-G387 PolarHBondContact O-N 3.17Å; V384-L391 HydrophobicContact CG2-CD2 4.34Å; V384-I418 HydrophobicContact CG1-CG2 4.37Å; V384-I418 HydrophobicContact CG2-CG2 4.3Å; V384-I424 HydrophobicContact CG1-CG2 3.68Å
385	F	98.9	Very high	97.8	Very high	29 Å²	29	13.5 Å²	13.5	13%	0.127	7%	0.071	C	C	.	.	H	α-helix	trans	-61.3	-34.6	178.1	-75.4	-50.9	0	0	0	112.9	F321 I325 M381 A382 G387 I424 P430 W431	F321-F385 HydrophobicContact CE1-CD2 4.48Å; F321-F385 HydrophobicContact CE2-CD2 4.01Å; F321-F385 HydrophobicContact CE2-CE2 4.32Å; F321-F385 AromaticContact CZ-CD2 3.47Å; F321-F385 HydrophobicContact CZ-CD2 3.47Å; F321-F385 VanDerWaalsContact CZ-CD2 3.47Å; F321-F385 AromaticContact CZ-CE2 3.72Å; F321-F385 HydrophobicContact CZ-CE2 3.72Å; I325-F385 HydrophobicContact CD1-CB 3.73Å; I325-F385 HydrophobicContact CD1-CD2 4.24Å; I325-F385 HydrophobicContact CD1-CG 4.35Å; I325-F385 HydrophobicContact CG1-CB 3.9Å; I325-F385 HydrophobicContact CG2-CB 4.49Å; M381-F385 HydrophobicContact CB-CD2 4.34Å; M381-F385 HydrophobicContact CB-CE2 4.24Å; M381-F385 HydrophobicContact CE-CE2 3.88Å; M381-F385 HydrophobicContact CE-CZ 4.42Å; M381-F385 WeakPolarHBondContact O-CB 3.23Å; M381-F385 WeakPolarHBondContact O-CD2 3.48Å; M381-F385 WeakPolarHBondContact O-CG 3.5Å; M381-F385 PolarHBondContact O-N 3Å; A382-F385 PolarHBondContact O-N 3.12Å; F385-G387 PolarHBondContact O-N 3.15Å; F385-I424 HydrophobicContact CD1-CG2 4.12Å; F385-I424 HydrophobicContact CE1-CD1 4.45Å; F385-I424 HydrophobicContact CE1-CG1 4.24Å; F385-I424 HydrophobicContact CE1-CG2 3.62Å; F385-I424 HydrophobicContact CE2-CD1 4.37Å; F385-I424 HydrophobicContact CZ-CD1 3.83Å; F385-I424 HydrophobicContact CZ-CG1 4Å; F385-I424 HydrophobicContact CZ-CG2 4.09Å; F385-P430 HydrophobicContact CD1-CG 3.52Å; F385-P430 HydrophobicContact CE1-CG 3.69Å; F385-W431 AromaticContact CD1-CD1 3.75Å; F385-W431 AromaticContact CD1-NE1 3.58Å; F385-W431 AromaticContact CD2-NE1 3.67Å; F385-W431 AromaticContact CG-CD1 3.74Å; F385-W431 AromaticContact CG-NE1 3.39Å
386	G	98.6	Very high	97.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-6.1	173.1	0	0	0	0	0	114.2	L328 R332 A382 V384	L328-G386 WeakPolarHBondContact CB-O 3.48Å; R332-G386 PolarHBondContact NH1-O 2.91Å; R332-G386 PolarHBondContact NH2-O 3.33Å; A382-G386 PolarHBondContact O-N 2.72Å; V384-G386 VanDerWaalsContact C-N 3.26Å; V384-G386 PolarHBondContact O-N 3.41Å
387	G	98.5	Very high	97.1	Very high	6 Å²	6	12.8 Å²	12.8	6%	0.062	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	37.8	171.7	0	0	0	0	0	115.3	Y104 A383 V384 F385 Q389	Y104-G387 WeakPolarHBondContact OH-CA 3.3Å; A383-G387 PolarHBondContact O-N 3.32Å; V384-G387 PolarHBondContact O-N 3.17Å; F385-G387 PolarHBondContact O-N 3.15Å; G387-Q389 PolarHBondContact O-NE2 3.38Å
388	T	98.5	Very high	96.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.			trans	-63	153.7	174.8	-165.2	0	0	0	0	115.3	Y104 W109 T355 C357 A383 S390 L391	Y104-T388 VanDerWaalsContact CE1-O 3.25Å; Y104-T388 WeakPolarHBondContact CE1-O 3.36Å; Y104-T388 PolarHBondContact OH-N 2.86Å; Y104-T388 PolarHBondContact OH-O 2.64Å; W109-T388 HydrophobicContact CB-CG2 4.45Å; T355-T388 PolarHBondContact O-OG1 2.69Å; C357-T388 HydrophobicContact CB-CG2 4.47Å; C357-T388 PolarHBondContact N-OG1 2.63Å; C357-T388 VanDerWaalsContact SG-CB 3.59Å; C357-T388 PolarHBondContact SG-OG1 3.23Å; A383-T388 HydrophobicContact CB-CG2 4.22Å; A383-T388 WeakPolarHBondContact O-CB 3.36Å; A383-T388 WeakPolarHBondContact O-CG2 3.45Å; A383-T388 PolarHBondContact O-N 3.37Å; T388-S390 PolarHBondContact OG1-O 3.48Å; T388-S390 VanDerWaalsContact OG1-O 3.05Å; T388-L391 HydrophobicContact CG2-CB 4.32Å
389	Q	95.8	Very high	95.9	Very high	33 Å²	33	11.6 Å²	11.6	15%	0.154	6%	0.061	C	C	.	.	S	Bend	trans	-95.3	-22.9	178.5	-76.5	62.1	65.7	0	0	112.7	Y100 T110 R354 T355 G387	Y100-Q389 HydrophobicContact CE2-CG 3.84Å; T110-Q389 PolarHBondContact N-O 2.87Å; R354-Q389 HydrophobicContact CB-CG 4.45Å; T355-Q389 WeakPolarHBondContact O-CA 3.1Å; T355-Q389 WeakPolarHBondContact O-CB 3.24Å; T355-Q389 PolarHBondContact O-N 3.49Å; G387-Q389 PolarHBondContact O-NE2 3.38Å
390	S	94.8	Very high	95.2	Very high	16 Å²	16	12.3 Å²	12.3	11%	0.112	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	151.5	172.6	59.1	0	0	0	0	110.5	T110 T355 H356 C357 T388	T110-S390 WeakPolarHBondContact O-CA 3.5Å; T110-S390 WeakPolarHBondContact O-CB 3.45Å; T355-S390 PolarHBondContact O-N 3.3Å; H356-S390 CarbonylContact C-O 3.49Å; H356-S390 WeakPolarHBondContact CA-O 3.4Å; H356-S390 PolarHBondContact ND1-O 2.59Å; H356-S390 VanDerWaalsContact ND1-O 3.08Å; H356-S390 PolarHBondContact ND1-OG 3.1Å; C357-S390 PolarHBondContact N-O 3.19Å; T388-S390 PolarHBondContact OG1-O 3.48Å; T388-S390 VanDerWaalsContact OG1-O 3.05Å
391	L	96.5	Very high	94.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	135.8	-173.1	177.9	63.7	0	0	0	111.4	T110 R112 C357 A380 A383 V384 T388 T393 Q415	T110-L391 PolarHBondContact O-N 2.84Å; T110-L391 VanDerWaalsContact O-N 3.08Å; R112-L391 PolarHBondContact N-O 3.41Å; C357-L391 HydrophobicContact CB-CD1 3.86Å; C357-L391 CarbonylContact O-C 3.55Å; C357-L391 WeakPolarHBondContact O-CA 3.24Å; C357-L391 WeakPolarHBondContact O-CD1 3.39Å; A380-L391 HydrophobicContact CB-CD2 3.96Å; A383-L391 HydrophobicContact CB-CD1 3.71Å; A383-L391 HydrophobicContact CB-CD2 4.38Å; V384-L391 HydrophobicContact CG2-CD2 4.34Å; T388-L391 HydrophobicContact CG2-CB 4.32Å; L391-T393 HydrophobicContact CD2-CG2 4.21Å; L391-T393 HydrophobicContact CG-CG2 4.3Å; L391-Q415 HydrophobicContact CD2-CG 4.01Å; L391-Q415 HydrophobicContact CG-CG 4.43Å; L391-Q415 PolarHBondContact O-NE2 2.89Å; L391-Q415 PolarHBondContact O-OE1 3.35Å
392	H	96.3	Very high	93.5	Very high	7 Å²	7	13 Å²	13	3%	0.032	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.1	162.3	178.2	111.5	0	0	0	108.5	Y114 H356 C357 Q358 T359 N394	Y114-H392 WeakPolarHBondContact CB-CE1 2.94Å; Y114-H392 WeakPolarHBondContact CB-ND1 3.33Å; Y114-H392 PolarHBondContact N-CE1 3.22Å; Y114-H392 VanDerWaalsContact N-CE1 3.26Å; Y114-H392 PolarHBondContact N-ND1 3.4Å; H356-H392 PolarHBondContact CE1-N 3.05Å; C357-H392 PolarHBondContact O-N 3.37Å; Q358-H392 WeakPolarHBondContact CA-O 3.45Å; Q358-H392 HydrophobicContact CB-CB 3.96Å; Q358-H392 HydrophobicContact CG-CB 3.9Å; T359-H392 PolarHBondContact N-O 3.4Å; H392-N394 PolarHBondContact CD2-N 3.32Å; H392-N394 PolarHBondContact CD2-OD1 3.44Å; H392-N394 PolarHBondContact NE2-OD1 3.49Å
393	T	97.4	Very high	92.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.083	C	C	.	.			trans	-108.8	125.1	168.4	36.8	0	0	0	0	109	Q113 T359 T376 A380 L391 A411 T414 Q415	Q113-T393 PolarHBondContact NE2-O 3.01Å; Q113-T393 VanDerWaalsContact OE1-N 3.16Å; Q113-T393 PolarHBondContact OE1-OG1 3.36Å; T359-T393 HydrophobicContact CG2-CG2 4.14Å; T376-T393 HydrophobicContact CG2-CG2 3.87Å; A380-T393 HydrophobicContact CB-CG2 3.81Å; L391-T393 HydrophobicContact CD2-CG2 4.21Å; L391-T393 HydrophobicContact CG-CG2 4.3Å; T393-A411 WeakPolarHBondContact O-CB 3.36Å; T393-A411 VanDerWaalsContact OG1-C 3.32Å; T393-A411 PolarHBondContact OG1-O 3.42Å; T393-T414 HydrophobicContact CG2-CG2 4.34Å; T393-Q415 HydrophobicContact CG2-CG 3.62Å; T393-Q415 PolarHBondContact OG1-NE2 3.37Å
394	N	95.3	Very high	92.2	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.011	9%	0.092	C	C	.	.			trans	-67.4	160.7	179.7	-63.5	-20.6	0	0	0	110.5	Q358 T359 S360 G361 L364 H392 A411	Q358-N394 PolarHBondContact NE2-OD1 3.01Å; T359-N394 PolarHBondContact O-ND2 2.86Å; T359-N394 VanDerWaalsContact OG1-CG 3.23Å; T359-N394 PolarHBondContact OG1-N 2.99Å; T359-N394 PolarHBondContact OG1-ND2 2.98Å; S360-N394 PolarHBondContact O-ND2 3.12Å; G361-N394 WeakPolarHBondContact CA-ND2 3.35Å; G361-N394 PolarHBondContact N-ND2 3.28Å; L364-N394 HydrophobicContact CD1-CB 3.54Å; H392-N394 PolarHBondContact CD2-N 3.32Å; H392-N394 PolarHBondContact CD2-OD1 3.44Å; H392-N394 PolarHBondContact NE2-OD1 3.49Å; N394-A411 WeakPolarHBondContact O-CB 3.35Å
395	S	94.1	Very high	91.4	Very high	4 Å²	4	21.3 Å²	21.3	3%	0.028	13%	0.126	C	C	.	.			trans	-88.2	153.6	174.5	-60.9	0	0	0	0	110.6	L364 D397 E398 P403 S407	L364-S395 WeakPolarHBondContact CD1-O 3.4Å; S395-D397 WeakPolarHBondContact CB-OD1 3.38Å; S395-D397 PolarHBondContact O-N 2.98Å; S395-D397 VanDerWaalsContact O-N 3.13Å; S395-E398 WeakPolarHBondContact O-CB 3.35Å; S395-E398 PolarHBondContact O-N 3.08Å; S395-P403 WeakPolarHBondContact OG-CB 3.42Å; S395-S407 WeakPolarHBondContact CB-OG 2.96Å
396	F	94.1	Very high	91	Very high	8 Å²	8	25.4 Å²	25.4	4%	0.035	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.6	-174.6	73.5	-98.1	0	0	0	113.4	P369 Y370 N372 V373 I410 V506	P369-F396 HydrophobicContact CB-CD2 4.34Å; Y370-F396 HydrophobicContact CE1-CE2 4.41Å; Y370-F396 HydrophobicContact CE1-CZ 4.37Å; N372-F396 HydrophobicContact CB-CB 3.98Å; N372-F396 PolarHBondContact ND2-O 3.13Å; V373-F396 HydrophobicContact CG2-CB 3.79Å; V373-F396 HydrophobicContact CG2-CD1 4.35Å; V373-F396 HydrophobicContact CG2-CG 4.27Å; F396-I410 HydrophobicContact CD1-CD1 4.14Å; F396-I410 HydrophobicContact CE1-CD1 3.93Å; F396-V506 HydrophobicContact CE2-CG1 4.08Å
397	D	90.2	Very high	90.7	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.011	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	7.4	-179.6	51.4	-1.3	0	0	0	113.8	S395 A399 L400 G401 T404 S407	S395-D397 WeakPolarHBondContact CB-OD1 3.38Å; S395-D397 PolarHBondContact O-N 2.98Å; S395-D397 VanDerWaalsContact O-N 3.13Å; D397-A399 VanDerWaalsContact C-N 3.27Å; D397-A399 PolarHBondContact O-N 3.47Å; D397-L400 WeakPolarHBondContact O-CB 3.46Å; D397-L400 PolarHBondContact O-N 3.33Å; D397-G401 PolarHBondContact O-N 2.95Å; D397-G401 VanDerWaalsContact O-N 3.11Å; D397-T404 PolarHBondContact OD2-N 2.97Å; D397-T404 PolarHBondContact OD2-OG1 3.36Å; D397-S407 VanDerWaalsContact CG-CB 3.43Å; D397-S407 WeakPolarHBondContact OD1-CB 3.42Å; D397-S407 PolarHBondContact OD1-OG 3.22Å; D397-S407 WeakPolarHBondContact OD2-CB 3.46Å; D397-S407 PolarHBondContact OD2-OG 3.42Å
398	E	86.5	Confident	90.3	Very high	65 Å²	65	25.7 Å²	25.7	30%	0.304	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-37.1	-176.8	-167.8	81.5	-167.3	0	0	113.7	L364 S395 L400	L364-E398 HydrophobicContact CD1-CB 3.63Å; L364-E398 HydrophobicContact CD1-CG 4.26Å; S395-E398 WeakPolarHBondContact O-CB 3.35Å; S395-E398 PolarHBondContact O-N 3.08Å; E398-L400 PolarHBondContact O-N 3.33Å
399	A	85.4	Confident	89.9	Confident	15 Å²	15	33 Å²	33	12%	0.124	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-10.4	-179.9	0	0	0	0	0	113.4	E366 D397 V713	E366-A399 HydrophobicContact CB-CB 4.45Å; D397-A399 VanDerWaalsContact C-N 3.27Å; D397-A399 PolarHBondContact O-N 3.47Å; A399-V713 WeakPolarHBondContact O-CG1 3.43Å
400	L	83.6	Confident	90	Very high	15 Å²	15	33.9 Å²	33.9	8%	0.079	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-35.4	-178.6	-68.6	167.6	0	0	0	112.3	E366 D397 E398 V506 V508	E366-L400 HydrophobicContact CB-CD2 4.36Å; E366-L400 HydrophobicContact CG-CD2 3.7Å; D397-L400 WeakPolarHBondContact O-CB 3.46Å; D397-L400 PolarHBondContact O-N 3.33Å; E398-L400 PolarHBondContact O-N 3.33Å; L400-V506 HydrophobicContact CD1-CB 3.97Å; L400-V506 HydrophobicContact CD1-CG1 4.35Å; L400-V508 HydrophobicContact CB-CG1 4.48Å; L400-V508 HydrophobicContact CB-CG2 3.7Å; L400-V508 HydrophobicContact CD1-CG2 4.32Å; L400-V508 HydrophobicContact CG-CG2 4.46Å; L400-V508 WeakPolarHBondContact O-CG1 3.22Å
401	G	81.9	Confident	90	Very high	23 Å²	23	33.2 Å²	33.2	24%	0.237	17%	0.173	C	C	.	.	S	Bend	trans	171.9	-161.1	-179.5	0	0	0	0	0	112.8	D397	D397-G401 PolarHBondContact O-N 2.95Å; D397-G401 VanDerWaalsContact O-N 3.11Å
402	L	81.3	Confident	89.9	Confident	45 Å²	45	34.3 Å²	34.3	24%	0.236	18%	0.177	C	C	.	.	S	Bend	trans	-71	150.2	-179.8	-65.9	-177.7	0	0	0	112.2	T404 L509 I511	L402-T404 PolarHBondContact O-N 3.36Å; L402-L509 HydrophobicContact CB-CD2 4.18Å; L402-L509 HydrophobicContact CD1-CD2 4.49Å; L402-I511 HydrophobicContact CD1-CD1 3.64Å
403	P	84.6	Confident	90	Very high	28 Å²	28	36.3 Å²	36.3	18%	0.182	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-57	134.5	-179.2	-27.6	35.1	0	0	0	114.6	S395 A408	S395-P403 WeakPolarHBondContact OG-CB 3.42Å; P403-A408 HydrophobicContact CB-CB 4.19Å
404	T	84.7	Confident	90	Very high	32 Å²	32	37 Å²	37	20%	0.196	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-76.4	167.8	163.9	63.8	0	0	0	0	111.8	D397 L402 K406 S407 A408	D397-T404 PolarHBondContact OD2-N 2.97Å; D397-T404 PolarHBondContact OD2-OG1 3.36Å; L402-T404 PolarHBondContact O-N 3.36Å; T404-K406 PolarHBondContact O-N 3.22Å; T404-S407 PolarHBondContact N-OG 2.92Å; T404-S407 PolarHBondContact O-N 3.5Å; T404-S407 PolarHBondContact O-OG 3.17Å; T404-S407 PolarHBondContact OG1-N 3Å; T404-S407 PolarHBondContact OG1-OG 3.33Å; T404-A408 VanDerWaalsContact O-CB 3.25Å; T404-A408 WeakPolarHBondContact O-CB 3.34Å; T404-A408 PolarHBondContact O-N 3.03Å
405	V	83.4	Confident	90.1	Very high	117 Å²	117	36.9 Å²	36.9	71%	0.709	19%	0.192	S	C	*	.	H	α-helix	trans	-57.7	-38.7	173.8	177.5	0	0	0	0	111.6	R409	V405-R409 WeakPolarHBondContact O-CB 3.38Å; V405-R409 PolarHBondContact O-N 2.84Å; V405-R409 VanDerWaalsContact O-N 3.15Å
406	K	89.3	Confident	90.3	Very high	116 Å²	116	38.5 Å²	38.5	50%	0.504	20%	0.2	S	C	.	.	H	α-helix	trans	-67.1	-50.1	179.2	-179.2	-173.6	175.2	-169.1	0	110.8	Y370 T404 R409 I410	Y370-K406 PolarHBondContact OH-NZ 3.11Å; T404-K406 PolarHBondContact O-N 3.22Å; K406-R409 PolarHBondContact O-N 3.29Å; K406-I410 HydrophobicContact CG-CD1 4.31Å; K406-I410 WeakPolarHBondContact O-CG1 3.46Å; K406-I410 PolarHBondContact O-N 3.43Å; K406-I410 VanDerWaalsContact O-N 3.1Å
407	S	91.8	Very high	90.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-68.8	-40.9	-176	71.7	0	0	0	0	111.9	S395 D397 T404 R409 I410 A411	S395-S407 WeakPolarHBondContact CB-OG 2.96Å; D397-S407 VanDerWaalsContact CG-CB 3.43Å; D397-S407 WeakPolarHBondContact OD1-CB 3.42Å; D397-S407 PolarHBondContact OD1-OG 3.22Å; D397-S407 WeakPolarHBondContact OD2-CB 3.46Å; D397-S407 PolarHBondContact OD2-OG 3.42Å; T404-S407 PolarHBondContact N-OG 2.92Å; T404-S407 PolarHBondContact O-N 3.5Å; T404-S407 PolarHBondContact O-OG 3.17Å; T404-S407 PolarHBondContact OG1-N 3Å; T404-S407 PolarHBondContact OG1-OG 3.33Å; S407-R409 VanDerWaalsContact C-N 3.3Å; S407-R409 PolarHBondContact O-N 3.36Å; S407-I410 PolarHBondContact O-N 3.18Å; S407-I410 VanDerWaalsContact O-N 3.12Å; S407-A411 WeakPolarHBondContact O-CB 3.44Å; S407-A411 PolarHBondContact O-N 3.18Å
408	A	90.3	Very high	90.9	Very high	11 Å²	11	42.2 Å²	42.2	9%	0.091	22%	0.219	C	C	.	.	H	α-helix	trans	-60.9	-37.1	173.7	0	0	0	0	0	112.6	F126 P403 T404 R412	F126-A408 HydrophobicContact CE2-CB 4.5Å; F126-A408 HydrophobicContact CZ-CB 4.11Å; P403-A408 HydrophobicContact CB-CB 4.19Å; T404-A408 VanDerWaalsContact O-CB 3.25Å; T404-A408 WeakPolarHBondContact O-CB 3.34Å; T404-A408 PolarHBondContact O-N 3.03Å; A408-R412 PolarHBondContact O-N 3.12Å
409	R	91.6	Very high	91.5	Very high	155 Å²	155	40.6 Å²	40.6	59%	0.585	21%	0.212	S	C	*	.	H	α-helix	trans	-64.4	-45.2	173.6	175.5	179.5	169.3	140.4	-1.1	111.5	V405 K406 S407 R412 N413	V405-R409 WeakPolarHBondContact O-CB 3.38Å; V405-R409 PolarHBondContact O-N 2.84Å; V405-R409 VanDerWaalsContact O-N 3.15Å; K406-R409 PolarHBondContact O-N 3.29Å; S407-R409 VanDerWaalsContact C-N 3.3Å; S407-R409 PolarHBondContact O-N 3.36Å; R409-R412 PolarHBondContact O-N 2.91Å; R409-N413 VanDerWaalsContact O-CB 3.31Å; R409-N413 WeakPolarHBondContact O-CB 3.39Å; R409-N413 PolarHBondContact O-N 3.06Å; R409-N413 PolarHBondContact O-OD1 2.79Å
410	I	96	Very high	92.1	Very high	51 Å²	51	47.1 Å²	47.1	26%	0.262	24%	0.24	S	C	.	.	H	α-helix	trans	-60.9	-48.5	177.9	-69.7	168.7	0	0	0	109.6	V373 F396 K406 S407 R412 N413 T414	V373-I410 HydrophobicContact CG1-CG2 4.05Å; V373-I410 HydrophobicContact CG2-CG2 4.08Å; F396-I410 HydrophobicContact CD1-CD1 4.14Å; F396-I410 HydrophobicContact CE1-CD1 3.93Å; K406-I410 HydrophobicContact CG-CD1 4.31Å; K406-I410 WeakPolarHBondContact O-CG1 3.46Å; K406-I410 PolarHBondContact O-N 3.43Å; K406-I410 VanDerWaalsContact O-N 3.1Å; S407-I410 PolarHBondContact O-N 3.18Å; S407-I410 VanDerWaalsContact O-N 3.12Å; I410-R412 PolarHBondContact O-N 2.88Å; I410-N413 PolarHBondContact O-N 3.07Å; I410-N413 VanDerWaalsContact O-N 3.15Å; I410-T414 PolarHBondContact O-N 3.19Å; I410-T414 PolarHBondContact O-OG1 2.78Å
411	A	95.7	Very high	92.8	Very high	2 Å²	2	53.6 Å²	53.6	2%	0.017	27%	0.27	C	S	.	.	H	α-helix	trans	-54.9	-48.2	177.6	0	0	0	0	0	112.3	T393 N394 S407 T414	T393-A411 WeakPolarHBondContact O-CB 3.36Å; T393-A411 VanDerWaalsContact OG1-C 3.32Å; T393-A411 PolarHBondContact OG1-O 3.42Å; N394-A411 WeakPolarHBondContact O-CB 3.35Å; S407-A411 WeakPolarHBondContact O-CB 3.44Å; S407-A411 PolarHBondContact O-N 3.18Å; A411-T414 WeakPolarHBondContact O-CB 3.45Å; A411-T414 PolarHBondContact O-N 2.85Å
412	R	94.9	Very high	93.6	Very high	22 Å²	22	55 Å²	55	8%	0.083	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-46.1	175.7	-177.6	178.9	62.3	-132.6	-3	112.1	I111 N130 A133 A408 R409 I410 T414 Q415 I416	I111-R412 HydrophobicContact CG2-CG 4.26Å; N130-R412 PolarHBondContact OD1-NH1 2.9Å; A133-R412 VanDerWaalsContact CB-CZ 3.47Å; A133-R412 PolarHBondContact O-NE 3.22Å; A408-R412 PolarHBondContact O-N 3.12Å; R409-R412 PolarHBondContact O-N 2.91Å; I410-R412 PolarHBondContact O-N 2.88Å; R412-T414 VanDerWaalsContact C-N 3.26Å; R412-T414 PolarHBondContact O-N 2.84Å; R412-Q415 PolarHBondContact O-N 3.18Å; R412-Q415 VanDerWaalsContact O-N 3.09Å; R412-I416 HydrophobicContact CG-CD1 3.93Å; R412-I416 HydrophobicContact CG-CG1 4.47Å; R412-I416 PolarHBondContact O-N 2.92Å
413	N	96.9	Very high	94.4	Very high	50 Å²	50	54.3 Å²	54.3	27%	0.267	28%	0.279	S	S	.	.	H	α-helix	trans	-64.9	-29.6	-177.4	-79.2	12.5	0	0	0	112.6	R409 I410 Q415 I416 I417	R409-N413 VanDerWaalsContact O-CB 3.31Å; R409-N413 WeakPolarHBondContact O-CB 3.39Å; R409-N413 PolarHBondContact O-N 3.06Å; R409-N413 PolarHBondContact O-OD1 2.79Å; I410-N413 PolarHBondContact O-N 3.07Å; I410-N413 VanDerWaalsContact O-N 3.15Å; N413-Q415 PolarHBondContact O-N 3.13Å; N413-I416 PolarHBondContact O-N 3.26Å; N413-I417 WeakPolarHBondContact O-CB 3.19Å; N413-I417 VanDerWaalsContact O-CG1 3.3Å; N413-I417 WeakPolarHBondContact O-CG1 3.4Å; N413-I417 PolarHBondContact O-N 2.88Å
414	T	98.5	Very high	95.1	Very high	14 Å²	14	54.6 Å²	54.6	9%	0.086	28%	0.279	C	S	.	.	H	α-helix	trans	-51.4	-46.4	170.1	-64.5	0	0	0	0	111.1	V377 A380 T393 I410 A411 R412 I418	V377-T414 HydrophobicContact CB-CG2 4.37Å; V377-T414 HydrophobicContact CG2-CG2 3.69Å; A380-T414 HydrophobicContact CB-CG2 4.15Å; T393-T414 HydrophobicContact CG2-CG2 4.34Å; I410-T414 PolarHBondContact O-N 3.19Å; I410-T414 PolarHBondContact O-OG1 2.78Å; A411-T414 WeakPolarHBondContact O-CB 3.45Å; A411-T414 PolarHBondContact O-N 2.85Å; R412-T414 VanDerWaalsContact C-N 3.26Å; R412-T414 PolarHBondContact O-N 2.84Å; T414-I418 HydrophobicContact CG2-CD1 4.23Å; T414-I418 WeakPolarHBondContact O-CD1 3.31Å; T414-I418 VanDerWaalsContact O-CG1 3.23Å; T414-I418 WeakPolarHBondContact O-CG1 3.15Å; T414-I418 PolarHBondContact O-N 3.04Å
415	Q	98.3	Very high	95.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-70.6	-42.3	178.4	-59.9	-169.8	48.2	0	0	112.3	W109 I111 L391 T393 R412 N413 I417 I418 Q419	W109-Q415 HydrophobicContact CZ2-CB 4.3Å; I111-Q415 HydrophobicContact CD1-CB 3.97Å; I111-Q415 HydrophobicContact CG1-CB 4.03Å; L391-Q415 HydrophobicContact CD2-CG 4.01Å; L391-Q415 HydrophobicContact CG-CG 4.43Å; L391-Q415 PolarHBondContact O-NE2 2.89Å; L391-Q415 PolarHBondContact O-OE1 3.35Å; T393-Q415 HydrophobicContact CG2-CG 3.62Å; T393-Q415 PolarHBondContact OG1-NE2 3.37Å; R412-Q415 PolarHBondContact O-N 3.18Å; R412-Q415 VanDerWaalsContact O-N 3.09Å; N413-Q415 PolarHBondContact O-N 3.13Å; Q415-I417 VanDerWaalsContact C-N 3.35Å; Q415-I417 PolarHBondContact O-N 2.87Å; Q415-I418 PolarHBondContact O-N 3.32Å; Q415-Q419 WeakPolarHBondContact O-CG 2.91Å; Q415-Q419 PolarHBondContact O-N 2.88Å
416	I	96.9	Very high	96.5	Very high	38 Å²	38	56 Å²	56	20%	0.195	27%	0.274	C	S	.	.	H	α-helix	trans	-60.8	-44.4	-180	-62.8	172.6	0	0	0	110.7	I111 R412 N413 I418 Q419 E420	I111-I416 HydrophobicContact CD1-CG1 3.63Å; R412-I416 HydrophobicContact CG-CD1 3.93Å; R412-I416 HydrophobicContact CG-CG1 4.47Å; R412-I416 PolarHBondContact O-N 2.92Å; N413-I416 PolarHBondContact O-N 3.26Å; I416-I418 VanDerWaalsContact C-N 3.34Å; I416-I418 PolarHBondContact O-N 3.08Å; I416-Q419 WeakPolarHBondContact O-CB 3.24Å; I416-Q419 PolarHBondContact O-N 3.44Å; I416-Q419 VanDerWaalsContact O-N 3.08Å; I416-E420 HydrophobicContact CG2-CG 4.25Å; I416-E420 WeakPolarHBondContact O-CB 3.31Å; I416-E420 PolarHBondContact O-N 2.98Å
417	I	98.7	Very high	96.9	Very high	79 Å²	79	54.8 Å²	54.8	41%	0.405	28%	0.276	S	S	.	.	H	α-helix	trans	-62.6	-41.6	177.8	-69.1	167.1	0	0	0	110.7	N413 Q415 Q419 E421 S422	N413-I417 WeakPolarHBondContact O-CB 3.19Å; N413-I417 VanDerWaalsContact O-CG1 3.3Å; N413-I417 WeakPolarHBondContact O-CG1 3.4Å; N413-I417 PolarHBondContact O-N 2.88Å; Q415-I417 VanDerWaalsContact C-N 3.35Å; Q415-I417 PolarHBondContact O-N 2.87Å; I417-Q419 VanDerWaalsContact C-N 3.3Å; I417-Q419 PolarHBondContact O-N 2.86Å; I417-E421 HydrophobicContact CG2-CB 4.25Å; I417-E421 WeakPolarHBondContact O-CB 3.3Å; I417-E421 PolarHBondContact O-N 2.92Å; I417-S422 PolarHBondContact O-N 3.47Å; I417-S422 VanDerWaalsContact O-N 3.13Å
418	I	98.6	Very high	97.2	Very high	9 Å²	9	55.9 Å²	55.9	5%	0.046	29%	0.285	C	S	.	.	H	α-helix	trans	-63	-39.8	174.3	-59.8	164.6	0	0	0	110.2	W109 A380 M381 V384 T414 Q415 I416 S422 I424 P425	W109-I418 HydrophobicContact CH2-CB 3.99Å; W109-I418 HydrophobicContact CH2-CG2 3.61Å; W109-I418 HydrophobicContact CZ2-CB 4.36Å; W109-I418 HydrophobicContact CZ2-CG2 4.35Å; W109-I418 HydrophobicContact CZ3-CG2 4.47Å; A380-I418 HydrophobicContact CB-CD1 3.78Å; M381-I418 HydrophobicContact CG-CD1 4.1Å; V384-I418 HydrophobicContact CG1-CG2 4.37Å; V384-I418 HydrophobicContact CG2-CG2 4.3Å; T414-I418 HydrophobicContact CG2-CD1 4.23Å; T414-I418 WeakPolarHBondContact O-CD1 3.31Å; T414-I418 VanDerWaalsContact O-CG1 3.23Å; T414-I418 WeakPolarHBondContact O-CG1 3.15Å; T414-I418 PolarHBondContact O-N 3.04Å; Q415-I418 PolarHBondContact O-N 3.32Å; I416-I418 VanDerWaalsContact C-N 3.34Å; I416-I418 PolarHBondContact O-N 3.08Å; I418-S422 PolarHBondContact O-OG 3.43Å; I418-I424 HydrophobicContact CG2-CB 4.48Å; I418-I424 HydrophobicContact CG2-CD1 4.19Å; I418-P425 WeakPolarHBondContact O-CD 3.41Å
419	Q	98.3	Very high	97.6	Very high	31 Å²	31	55.8 Å²	55.8	15%	0.145	28%	0.283	C	S	.	.	H	α-helix	trans	-67.5	-47.1	178.9	-72.3	-176.2	-5.4	0	0	113.3	P108 W109 Q415 I416 I417	P108-Q419 HydrophobicContact CB-CG 3.95Å; P108-Q419 HydrophobicContact CG-CG 4.3Å; W109-Q419 HydrophobicContact CH2-CB 4.45Å; W109-Q419 HydrophobicContact CH2-CG 3.39Å; W109-Q419 HydrophobicContact CZ2-CG 3.5Å; W109-Q419 VanDerWaalsContact CZ2-CG 3.5Å; W109-Q419 HydrophobicContact CZ3-CG 3.95Å; W109-Q419 PolarHBondContact O-NE2 3.28Å; Q415-Q419 WeakPolarHBondContact O-CG 2.91Å; Q415-Q419 PolarHBondContact O-N 2.88Å; I416-Q419 WeakPolarHBondContact O-CB 3.24Å; I416-Q419 PolarHBondContact O-N 3.44Å; I416-Q419 VanDerWaalsContact O-N 3.08Å; I417-Q419 VanDerWaalsContact C-N 3.3Å; I417-Q419 PolarHBondContact O-N 2.86Å
420	E	98.1	Very high	97.9	Very high	151 Å²	151	51.4 Å²	51.4	71%	0.706	28%	0.275	S	S	*	.	H	α-helix	trans	-103	-29.1	-162.9	-60.8	-166.5	-161.1	0	0	113.8	I416	I416-E420 HydrophobicContact CG2-CG 4.25Å; I416-E420 WeakPolarHBondContact O-CB 3.31Å; I416-E420 PolarHBondContact O-N 2.98Å
421	E	98.6	Very high	98.1	Very high	152 Å²	152	51.9 Å²	51.9	71%	0.71	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.1	-37.3	-173.3	-60	-178.2	-150.9	0	0	113	I417 G423	I417-E421 HydrophobicContact CG2-CB 4.25Å; I417-E421 WeakPolarHBondContact O-CB 3.3Å; I417-E421 PolarHBondContact O-N 2.92Å; E421-G423 VanDerWaalsContact C-N 3.32Å; E421-G423 PolarHBondContact O-N 3.38Å
422	S	98.6	Very high	98.1	Very high	53 Å²	53	52.8 Å²	52.8	37%	0.371	28%	0.282	S	S	.	.	S	Bend	trans	-71.2	-21.8	-168.2	80.5	0	0	0	0	115.4	I417 I418 I424	I417-S422 PolarHBondContact O-N 3.47Å; I417-S422 VanDerWaalsContact O-N 3.13Å; I418-S422 PolarHBondContact O-OG 3.43Å; S422-I424 PolarHBondContact O-N 3Å; S422-I424 VanDerWaalsContact O-N 3.16Å; S422-I424 VanDerWaalsContact OG-CB 3.3Å; S422-I424 WeakPolarHBondContact OG-CB 3.39Å; S422-I424 WeakPolarHBondContact OG-CG1 3.38Å; S422-I424 PolarHBondContact OG-N 3.23Å; S422-I424 VanDerWaalsContact OG-N 3.1Å
423	G	98.6	Very high	98.1	Very high	30 Å²	30	54.2 Å²	54.2	31%	0.309	30%	0.304	S	S	.	.			trans	71.9	-6.9	-171.6	0	0	0	0	0	115.4	E421 P425 K426	E421-G423 VanDerWaalsContact C-N 3.32Å; E421-G423 PolarHBondContact O-N 3.38Å; G423-P425 VanDerWaalsContact C-CD 3.41Å; G423-P425 VanDerWaalsContact C-N 3.34Å; G423-K426 WeakPolarHBondContact O-CB 3.47Å; G423-K426 WeakPolarHBondContact O-CG 3.39Å; G423-K426 PolarHBondContact O-N 2.85Å; G423-K426 VanDerWaalsContact O-N 3.1Å
424	I	98.7	Very high	98.2	Very high	33 Å²	33	53.6 Å²	53.6	17%	0.169	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-52	-41.9	179.2	-69.4	168.3	0	0	0	113.1	M381 V384 F385 I418 S422 K426	M381-I424 HydrophobicContact CE-CD1 4Å; V384-I424 HydrophobicContact CG1-CG2 3.68Å; F385-I424 HydrophobicContact CD1-CG2 4.12Å; F385-I424 HydrophobicContact CE1-CD1 4.45Å; F385-I424 HydrophobicContact CE1-CG1 4.24Å; F385-I424 HydrophobicContact CE1-CG2 3.62Å; F385-I424 HydrophobicContact CE2-CD1 4.37Å; F385-I424 HydrophobicContact CZ-CD1 3.83Å; F385-I424 HydrophobicContact CZ-CG1 4Å; F385-I424 HydrophobicContact CZ-CG2 4.09Å; I418-I424 HydrophobicContact CG2-CB 4.48Å; I418-I424 HydrophobicContact CG2-CD1 4.19Å; S422-I424 PolarHBondContact O-N 3Å; S422-I424 VanDerWaalsContact O-N 3.16Å; S422-I424 VanDerWaalsContact OG-CB 3.3Å; S422-I424 WeakPolarHBondContact OG-CB 3.39Å; S422-I424 WeakPolarHBondContact OG-CG1 3.38Å; S422-I424 PolarHBondContact OG-N 3.23Å; S422-I424 VanDerWaalsContact OG-N 3.1Å; I424-K426 PolarHBondContact O-N 3.25Å
425	P	98.8	Very high	98.1	Very high	12 Å²	12	56.8 Å²	56.8	8%	0.078	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-65	-10.8	-178.9	-24.6	35.8	0	0	0	115.7	Y104 T105 W109 I418 G423 V427	Y104-P425 CarbonylContact C-O 3.53Å; T105-P425 WeakPolarHBondContact CA-O 3.41Å; T105-P425 PolarHBondContact N-O 3.13Å; W109-P425 HydrophobicContact CZ3-CG 4.2Å; I418-P425 WeakPolarHBondContact O-CD 3.41Å; G423-P425 VanDerWaalsContact C-CD 3.41Å; G423-P425 VanDerWaalsContact C-N 3.34Å; P425-V427 VanDerWaalsContact C-N 3.31Å; P425-V427 PolarHBondContact O-N 3.06Å
426	K	98.7	Very high	98.1	Very high	168 Å²	168	58.1 Å²	58.1	73%	0.73	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-77.9	-9.7	-171.2	-63.8	-177.6	177.8	177	0	114.4	G423 I424	G423-K426 WeakPolarHBondContact O-CB 3.47Å; G423-K426 WeakPolarHBondContact O-CG 3.39Å; G423-K426 PolarHBondContact O-N 2.85Å; G423-K426 VanDerWaalsContact O-N 3.1Å; I424-K426 PolarHBondContact O-N 3.25Å
427	V	98.8	Very high	98.1	Very high	89 Å²	89	56.3 Å²	56.3	54%	0.539	31%	0.314	S	S	.	.	S	Bend	trans	-130.6	130.2	177.6	-179.1	0	0	0	0	109.7	P425 P430	P425-V427 VanDerWaalsContact C-N 3.31Å; P425-V427 PolarHBondContact O-N 3.06Å; V427-P430 HydrophobicContact CB-CB 4.36Å; V427-P430 HydrophobicContact CG1-CB 4.18Å
428	A	98.6	Very high	98	Very high	23 Å²	23	53.4 Å²	53.4	19%	0.19	30%	0.299	C	S	.	.	S	Bend	trans	-77.9	130.6	176.4	0	0	0	0	0	111	P90 M103	P90-A428 HydrophobicContact CG-CB 4.21Å; M103-A428 HydrophobicContact CB-CB 3.99Å; M103-A428 HydrophobicContact CG-CB 4.13Å
429	D	98.3	Very high	97.9	Very high	10 Å²	10	53.6 Å²	53.6	5%	0.053	30%	0.302	C	S	.	.	S	Bend	trans	41.5	65.5	-176.4	-172.7	45.7	0	0	0	113	R97 R329 W431 G432	R97-D429 HydrophobicContact CB-CB 3.86Å; R97-D429 WeakPolarHBondContact CB-OD2 3.32Å; R97-D429 VanDerWaalsContact CG-OD2 3.22Å; R97-D429 WeakPolarHBondContact CG-OD2 3.38Å; R97-D429 IonicContact CZ-OD2 3.79Å; R97-D429 IonicContact NE-OD2 2.71Å; R97-D429 PolarHBondContact NE-OD2 2.96Å; R97-D429 PolarHBondContact NH2-O 2.89Å; R97-D429 IonicContact NH2-OD2 3.67Å; R97-D429 WeakPolarHBondContact O-CB 3.47Å; R329-D429 IonicContact NE-OD1 2.97Å; R329-D429 PolarHBondContact NE-OD1 3.44Å; R329-D429 IonicContact NE-OD2 3.79Å; R329-D429 IonicContact NH2-OD2 2.99Å; R329-D429 PolarHBondContact NH2-OD2 2.89Å; D429-W431 PolarHBondContact O-N 3.02Å; D429-W431 VanDerWaalsContact O-N 3.08Å; D429-G432 PolarHBondContact O-N 3.42Å; D429-G432 WeakPolarHBondContact OD2-CA 3.48Å
430	P	98.4	Very high	97.8	Very high	63 Å²	63	52.1 Å²	52.1	41%	0.409	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.4	-172.5	28.5	-36.2	0	0	0	113.5	F385 V427	F385-P430 HydrophobicContact CD1-CG 3.52Å; F385-P430 HydrophobicContact CE1-CG 3.69Å; V427-P430 HydrophobicContact CB-CB 4.36Å; V427-P430 HydrophobicContact CG1-CB 4.18Å
431	W	98.2	Very high	97.8	Very high	61 Å²	61	45 Å²	45	23%	0.231	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-10.5	173.9	-72.6	94.7	0	0	0	113.9	F321 Y322 F385 D429 G433 S434 M437	F321-W431 AromaticContact CE1-CZ2 3.89Å; F321-W431 HydrophobicContact CE1-CZ2 3.89Å; F321-W431 HydrophobicContact CZ-CZ2 4.46Å; Y322-W431 AromaticContact CE1-CH2 3.9Å; Y322-W431 HydrophobicContact CE1-CH2 3.9Å; Y322-W431 HydrophobicContact CE1-CZ2 4.49Å; Y322-W431 HydrophobicContact CE1-CZ3 4.39Å; F385-W431 AromaticContact CD1-CD1 3.75Å; F385-W431 AromaticContact CD1-NE1 3.58Å; F385-W431 AromaticContact CD2-NE1 3.67Å; F385-W431 AromaticContact CG-CD1 3.74Å; F385-W431 AromaticContact CG-NE1 3.39Å; D429-W431 PolarHBondContact O-N 3.02Å; D429-W431 VanDerWaalsContact O-N 3.08Å; W431-G433 PolarHBondContact O-N 2.81Å; W431-S434 WeakPolarHBondContact O-CB 3.12Å; W431-S434 PolarHBondContact O-N 3.15Å; W431-M437 HydrophobicContact CB-CB 4.36Å; W431-M437 HydrophobicContact CB-CG 3.97Å; W431-M437 HydrophobicContact CD2-CE 4.19Å; W431-M437 HydrophobicContact CE3-CB 4.37Å; W431-M437 HydrophobicContact CE3-CE 4.15Å; W431-M437 HydrophobicContact CG-CE 4.49Å
432	G	97.1	Very high	97.7	Very high	20 Å²	20	39.6 Å²	39.6	21%	0.206	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	129.4	-178.3	0	0	0	0	0	111.6	D429 E438	D429-G432 PolarHBondContact O-N 3.42Å; D429-G432 WeakPolarHBondContact OD2-CA 3.48Å; G432-E438 VanDerWaalsContact CA-OE1 3.31Å; G432-E438 WeakPolarHBondContact CA-OE1 3.34Å
433	G	95.1	Very high	97.6	Very high	53 Å²	53	39.8 Å²	39.8	55%	0.546	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	-10.1	-170.7	0	0	0	0	0	115.1	W431 F435 E438	W431-G433 PolarHBondContact O-N 2.81Å; G433-F435 PolarHBondContact O-N 2.76Å; G433-E438 PolarHBondContact N-OE1 3.28Å
434	S	97.6	Very high	97.6	Very high	37 Å²	37	38.4 Å²	38.4	26%	0.259	22%	0.22	S	C	.	.			trans	-63.1	120.4	170.4	174.2	0	0	0	0	110.2	W431 M436 M437 E438	W431-S434 WeakPolarHBondContact O-CB 3.12Å; W431-S434 PolarHBondContact O-N 3.15Å; S434-M436 PolarHBondContact O-N 3.1Å; S434-M437 PolarHBondContact O-N 2.95Å; S434-M437 VanDerWaalsContact O-N 3.13Å; S434-E438 WeakPolarHBondContact O-CB 3.43Å; S434-E438 VanDerWaalsContact O-CG 3.29Å; S434-E438 WeakPolarHBondContact O-CG 3.23Å; S434-E438 PolarHBondContact O-N 2.57Å
435	F	96.9	Very high	97.6	Very high	80 Å²	80	38.3 Å²	38.3	35%	0.351	22%	0.218	S	C	.	.	H	α-helix	trans	-52.8	-43	-176.1	-52.4	-42.4	0	0	0	112.7	T78 Q79 S82 G433 A439	T78-F435 VanDerWaalsContact C-CD2 3.42Å; T78-F435 WeakPolarHBondContact O-CB 3.47Å; T78-F435 WeakPolarHBondContact O-CG 3.41Å; Q79-F435 HydrophobicContact CB-CE1 4.13Å; Q79-F435 HydrophobicContact CB-CZ 3.98Å; Q79-F435 HydrophobicContact CG-CE1 4.48Å; S82-F435 WeakPolarHBondContact OG-CD1 3.42Å; S82-F435 WeakPolarHBondContact OG-CE1 3.42Å; G433-F435 PolarHBondContact O-N 2.76Å; F435-A439 WeakPolarHBondContact O-CB 3.31Å; F435-A439 PolarHBondContact O-N 2.64Å
436	M	97.6	Very high	97.5	Very high	28 Å²	28	41.5 Å²	41.5	14%	0.138	23%	0.234	C	C	.	.	H	α-helix	trans	-69.9	-49.2	178.6	-178.8	-84.9	-72.4	0	0	111.9	Y77 Y322 S434 E438 A439 L440	Y77-M436 HydrophobicContact CD1-CB 4.44Å; Y77-M436 HydrophobicContact CD2-CB 3.38Å; Y77-M436 HydrophobicContact CD2-CG 3.45Å; Y77-M436 VanDerWaalsContact CD2-CG 3.45Å; Y77-M436 HydrophobicContact CE2-CB 3.82Å; Y77-M436 HydrophobicContact CE2-CG 3.33Å; Y77-M436 HydrophobicContact CG-CB 3.72Å; Y77-M436 HydrophobicContact CG-CG 4.21Å; Y322-M436 HydrophobicContact CD1-CE 3.41Å; Y322-M436 VanDerWaalsContact CD1-CE 3.41Å; Y322-M436 HydrophobicContact CD2-CE 4.01Å; Y322-M436 HydrophobicContact CE1-CE 3.71Å; Y322-M436 HydrophobicContact CE2-CE 4.27Å; Y322-M436 HydrophobicContact CG-CE 3.58Å; Y322-M436 HydrophobicContact CG-SD 4.41Å; S434-M436 PolarHBondContact O-N 3.1Å; M436-E438 VanDerWaalsContact C-N 3.29Å; M436-E438 PolarHBondContact O-N 2.86Å; M436-A439 PolarHBondContact O-N 2.81Å; M436-L440 WeakPolarHBondContact O-CB 3.44Å; M436-L440 PolarHBondContact O-N 3.09Å; M436-L440 HydrophobicContact SD-CB 4.38Å; M436-L440 HydrophobicContact SD-CD2 4.19Å
437	M	98.2	Very high	97.4	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.9	-39.1	-173.3	-172.3	56.8	63.5	0	0	111.4	Y322 I325 A326 W431 S434 T441	Y322-M437 HydrophobicContact CD1-CE 3.92Å; I325-M437 HydrophobicContact CB-CE 3.83Å; I325-M437 HydrophobicContact CB-SD 3.87Å; I325-M437 HydrophobicContact CD1-CE 4.08Å; I325-M437 HydrophobicContact CG2-CE 3.76Å; I325-M437 HydrophobicContact CG2-CG 4.23Å; I325-M437 HydrophobicContact CG2-SD 3.55Å; I325-M437 VanDerWaalsContact CG2-SD 3.55Å; A326-M437 HydrophobicContact CB-SD 4.02Å; W431-M437 HydrophobicContact CB-CB 4.36Å; W431-M437 HydrophobicContact CB-CG 3.97Å; W431-M437 HydrophobicContact CD2-CE 4.19Å; W431-M437 HydrophobicContact CE3-CB 4.37Å; W431-M437 HydrophobicContact CE3-CE 4.15Å; W431-M437 HydrophobicContact CG-CE 4.49Å; S434-M437 PolarHBondContact O-N 2.95Å; S434-M437 VanDerWaalsContact O-N 3.13Å; M437-T441 VanDerWaalsContact O-CB 3.29Å; M437-T441 WeakPolarHBondContact O-CB 3.28Å; M437-T441 PolarHBondContact O-N 3.17Å; M437-T441 PolarHBondContact O-OG1 2.93Å
438	E	97.1	Very high	97.3	Very high	19 Å²	19	29.8 Å²	29.8	9%	0.089	18%	0.177	C	C	.	.	H	α-helix	trans	-68.7	-42.4	177.5	-60.6	-65	-177.1	0	0	111.6	R85 R329 G432 G433 S434 M436 T441 D442	R85-E438 VanDerWaalsContact CZ-C 3.44Å; R85-E438 PolarHBondContact NH2-O 2.92Å; R85-E438 VanDerWaalsContact NH2-O 3.13Å; R329-E438 IonicContact CZ-OE1 3.44Å; R329-E438 IonicContact CZ-OE2 3.52Å; R329-E438 VanDerWaalsContact CZ-OE2 3.29Å; R329-E438 IonicContact NH1-OE1 3Å; R329-E438 IonicContact NH1-OE2 2.6Å; R329-E438 PolarHBondContact NH1-OE2 2.74Å; R329-E438 IonicContact NH2-OE1 2.98Å; R329-E438 PolarHBondContact NH2-OE1 3.14Å; R329-E438 IonicContact NH2-OE2 2.73Å; R329-E438 PolarHBondContact NH2-OE2 3.36Å; G432-E438 VanDerWaalsContact CA-OE1 3.31Å; G432-E438 WeakPolarHBondContact CA-OE1 3.34Å; G433-E438 PolarHBondContact N-OE1 3.28Å; S434-E438 WeakPolarHBondContact O-CB 3.43Å; S434-E438 VanDerWaalsContact O-CG 3.29Å; S434-E438 WeakPolarHBondContact O-CG 3.23Å; S434-E438 PolarHBondContact O-N 2.57Å; M436-E438 VanDerWaalsContact C-N 3.29Å; M436-E438 PolarHBondContact O-N 2.86Å; E438-T441 PolarHBondContact O-N 3.34Å; E438-D442 PolarHBondContact O-N 3.37Å
439	A	95.6	Very high	97.3	Very high	13 Å²	13	30.1 Å²	30.1	11%	0.107	18%	0.175	C	C	.	.	H	α-helix	trans	-61.6	-47.1	174.8	0	0	0	0	0	112.1	Y77 F435 M436 T441 D442 D443	Y77-A439 HydrophobicContact CD1-CB 3.94Å; Y77-A439 HydrophobicContact CE1-CB 3.6Å; F435-A439 WeakPolarHBondContact O-CB 3.31Å; F435-A439 PolarHBondContact O-N 2.64Å; M436-A439 PolarHBondContact O-N 2.81Å; A439-T441 VanDerWaalsContact C-N 3.28Å; A439-T441 PolarHBondContact O-N 3.48Å; A439-D442 PolarHBondContact O-N 2.92Å; A439-D442 VanDerWaalsContact O-N 3.12Å; A439-D443 PolarHBondContact O-N 3.36Å
440	L	97.2	Very high	97.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.8	-36.6	177.2	-174.9	59.4	0	0	0	112.1	L71 I73 M323 A326 M436 D442 D443 V444	L71-L440 HydrophobicContact CD1-CD1 4.06Å; I73-L440 HydrophobicContact CD1-CD1 3.96Å; I73-L440 HydrophobicContact CD1-CD2 4.09Å; I73-L440 HydrophobicContact CG1-CD1 4.05Å; M323-L440 HydrophobicContact CE-CD1 3.94Å; M323-L440 HydrophobicContact SD-CD1 4.17Å; A326-L440 HydrophobicContact CB-CB 4.16Å; A326-L440 HydrophobicContact CB-CD2 3.87Å; A326-L440 HydrophobicContact CB-CG 3.63Å; M436-L440 WeakPolarHBondContact O-CB 3.44Å; M436-L440 PolarHBondContact O-N 3.09Å; M436-L440 HydrophobicContact SD-CB 4.38Å; M436-L440 HydrophobicContact SD-CD2 4.19Å; L440-D442 VanDerWaalsContact C-N 3.33Å; L440-D442 PolarHBondContact O-N 3.04Å; L440-D443 PolarHBondContact O-N 3.31Å; L440-V444 HydrophobicContact CD1-CG2 4.46Å; L440-V444 WeakPolarHBondContact O-CB 3.44Å; L440-V444 VanDerWaalsContact O-CG2 3.26Å; L440-V444 WeakPolarHBondContact O-CG2 3.4Å; L440-V444 PolarHBondContact O-N 3.29Å
441	T	98.1	Very high	97	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.6	-39.7	175.3	-61.5	0	0	0	0	111.4	T96 R329 A330 M437 E438 A439 Y445	T96-T441 HydrophobicContact CG2-CG2 3.99Å; R329-T441 HydrophobicContact CB-CG2 3.72Å; R329-T441 PolarHBondContact NH1-OG1 2.75Å; A330-T441 HydrophobicContact CB-CG2 4.02Å; A330-T441 WeakPolarHBondContact CB-O 3.06Å; M437-T441 VanDerWaalsContact O-CB 3.29Å; M437-T441 WeakPolarHBondContact O-CB 3.28Å; M437-T441 PolarHBondContact O-N 3.17Å; M437-T441 PolarHBondContact O-OG1 2.93Å; E438-T441 PolarHBondContact O-N 3.34Å; A439-T441 VanDerWaalsContact C-N 3.28Å; A439-T441 PolarHBondContact O-N 3.48Å; T441-Y445 VanDerWaalsContact O-CB 3.3Å; T441-Y445 WeakPolarHBondContact O-CB 3.14Å; T441-Y445 PolarHBondContact O-N 3.38Å
442	D	96.1	Very high	96.9	Very high	39 Å²	39	28.4 Å²	28.4	21%	0.209	16%	0.162	C	C	.	.	H	α-helix	trans	-68.4	-42.1	176.1	-68	-14.9	0	0	0	111.6	R85 R333 E438 A439 L440 V444 Y445 N446	R85-D442 IonicContact CZ-OD2 3.24Å; R85-D442 IonicContact NE-OD2 3.26Å; R85-D442 PolarHBondContact NE-OD2 3.48Å; R85-D442 VanDerWaalsContact NE-OD2 3.17Å; R85-D442 IonicContact NH2-OD2 2.75Å; R85-D442 PolarHBondContact NH2-OD2 3.14Å; R333-D442 IonicContact CZ-OD1 3.03Å; R333-D442 IonicContact NH1-OD1 3.34Å; R333-D442 PolarHBondContact NH1-OD1 3.38Å; E438-D442 PolarHBondContact O-N 3.37Å; A439-D442 PolarHBondContact O-N 2.92Å; A439-D442 VanDerWaalsContact O-N 3.12Å; L440-D442 VanDerWaalsContact C-N 3.33Å; L440-D442 PolarHBondContact O-N 3.04Å; D442-V444 PolarHBondContact O-N 3.35Å; D442-Y445 PolarHBondContact O-N 3.19Å; D442-N446 WeakPolarHBondContact O-CB 3.41Å; D442-N446 VanDerWaalsContact O-CG 3.23Å; D442-N446 PolarHBondContact O-N 3.42Å; D442-N446 PolarHBondContact O-ND2 3.47Å
443	D	96.1	Very high	96.9	Very high	58 Å²	58	33 Å²	33	31%	0.31	18%	0.177	S	C	.	.	H	α-helix	trans	-62.2	-44.1	177.7	-70.6	-22.3	0	0	0	111.8	L71 A439 L440 T447	L71-D443 HydrophobicContact CD1-CB 3.98Å; L71-D443 HydrophobicContact CD2-CB 4.18Å; A439-D443 PolarHBondContact O-N 3.36Å; L440-D443 PolarHBondContact O-N 3.31Å; D443-T447 VanDerWaalsContact O-CB 3.31Å; D443-T447 WeakPolarHBondContact O-CB 3.26Å; D443-T447 PolarHBondContact O-N 2.92Å; D443-T447 PolarHBondContact O-OG1 3.17Å
444	V	98.3	Very high	96.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-46.9	174.3	171.6	0	0	0	0	110.7	L71 I278 M323 A326 A330 L440 D442 N446 T447 A448	L71-V444 HydrophobicContact CD1-CG2 3.85Å; I278-V444 HydrophobicContact CD1-CB 4.11Å; I278-V444 HydrophobicContact CD1-CG1 3.95Å; I278-V444 HydrophobicContact CD1-CG2 3.97Å; M323-V444 HydrophobicContact SD-CG2 3.57Å; M323-V444 VanDerWaalsContact SD-CG2 3.57Å; A326-V444 HydrophobicContact CB-CG2 4.28Å; A330-V444 HydrophobicContact CB-CB 4Å; A330-V444 HydrophobicContact CB-CG1 3.65Å; L440-V444 HydrophobicContact CD1-CG2 4.46Å; L440-V444 WeakPolarHBondContact O-CB 3.44Å; L440-V444 VanDerWaalsContact O-CG2 3.26Å; L440-V444 WeakPolarHBondContact O-CG2 3.4Å; L440-V444 PolarHBondContact O-N 3.29Å; D442-V444 PolarHBondContact O-N 3.35Å; V444-N446 PolarHBondContact O-N 3.32Å; V444-T447 PolarHBondContact O-N 3.02Å; V444-A448 VanDerWaalsContact O-CB 3.23Å; V444-A448 WeakPolarHBondContact O-CB 3.39Å; V444-A448 PolarHBondContact O-N 3.08Å
445	Y	98.2	Very high	96.7	Very high	31 Å²	31	32.6 Å²	32.6	12%	0.122	16%	0.157	C	C	.	.	H	α-helix	trans	-57.4	-51.6	178	175.5	-83.5	0	0	0	111.5	R333 L334 T441 D442 T447 L449	R333-Y445 HydrophobicContact CB-CD2 4.04Å; R333-Y445 HydrophobicContact CB-CE2 4.11Å; R333-Y445 HydrophobicContact CG-CD2 3.94Å; R333-Y445 HydrophobicContact CG-CE2 3.68Å; L334-Y445 VanDerWaalsContact CA-CE2 3.5Å; L334-Y445 HydrophobicContact CB-CD2 3.88Å; L334-Y445 HydrophobicContact CB-CE2 3.88Å; L334-Y445 HydrophobicContact CD1-CD2 4Å; L334-Y445 HydrophobicContact CD1-CE2 3.69Å; L334-Y445 HydrophobicContact CG-CE2 4.41Å; T441-Y445 VanDerWaalsContact O-CB 3.3Å; T441-Y445 WeakPolarHBondContact O-CB 3.14Å; T441-Y445 PolarHBondContact O-N 3.38Å; D442-Y445 PolarHBondContact O-N 3.19Å; Y445-T447 PolarHBondContact O-N 2.92Å; Y445-L449 HydrophobicContact CE1-CD2 3.99Å; Y445-L449 VanDerWaalsContact O-CB 3.25Å; Y445-L449 WeakPolarHBondContact O-CB 3.4Å; Y445-L449 PolarHBondContact O-N 3.16Å
446	N	96.9	Very high	96.6	Very high	80 Å²	80	31.1 Å²	31.1	43%	0.428	15%	0.151	S	C	.	.	H	α-helix	trans	-65.3	-41.4	-175.7	-73.1	-36.4	0	0	0	111.5	D442 V444 K450	D442-N446 WeakPolarHBondContact O-CB 3.41Å; D442-N446 VanDerWaalsContact O-CG 3.23Å; D442-N446 PolarHBondContact O-N 3.42Å; D442-N446 PolarHBondContact O-ND2 3.47Å; V444-N446 PolarHBondContact O-N 3.32Å; N446-K450 WeakPolarHBondContact O-CG 3.39Å; N446-K450 PolarHBondContact O-N 2.57Å
447	T	96.5	Very high	96.5	Very high	11 Å²	11	37.8 Å²	37.8	7%	0.067	18%	0.182	C	C	.	.	H	α-helix	trans	-72.5	-43.8	-178.5	-50.3	0	0	0	0	111.2	V35 I278 D443 V444 Y445 L449 K450 F451	V35-T447 HydrophobicContact CG2-CG2 4.29Å; I278-T447 HydrophobicContact CG1-CG2 4.42Å; I278-T447 HydrophobicContact CG2-CG2 3.74Å; D443-T447 VanDerWaalsContact O-CB 3.31Å; D443-T447 WeakPolarHBondContact O-CB 3.26Å; D443-T447 PolarHBondContact O-N 2.92Å; D443-T447 PolarHBondContact O-OG1 3.17Å; V444-T447 PolarHBondContact O-N 3.02Å; Y445-T447 PolarHBondContact O-N 2.92Å; T447-L449 VanDerWaalsContact C-N 3.32Å; T447-L449 PolarHBondContact O-N 2.85Å; T447-K450 WeakPolarHBondContact O-CB 3.31Å; T447-K450 PolarHBondContact O-N 3.32Å; T447-F451 HydrophobicContact CG2-CD2 4.45Å; T447-F451 HydrophobicContact CG2-CE2 4.09Å; T447-F451 WeakPolarHBondContact O-CD2 3.4Å; T447-F451 PolarHBondContact O-N 2.94Å
448	A	97.8	Very high	96.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.3	-39.2	174.7	0	0	0	0	0	112	I278 V281 A282 L334 V444 K450 F451 I452	I278-A448 HydrophobicContact CG2-CB 4.43Å; V281-A448 HydrophobicContact CB-CB 4.13Å; V281-A448 HydrophobicContact CG1-CB 3.7Å; A282-A448 HydrophobicContact CB-CB 4.41Å; L334-A448 HydrophobicContact CD2-CB 3.86Å; V444-A448 VanDerWaalsContact O-CB 3.23Å; V444-A448 WeakPolarHBondContact O-CB 3.39Å; V444-A448 PolarHBondContact O-N 3.08Å; A448-K450 VanDerWaalsContact C-N 3.31Å; A448-K450 PolarHBondContact O-N 3.22Å; A448-F451 PolarHBondContact O-N 3.44Å; A448-I452 WeakPolarHBondContact O-CG1 3.19Å; A448-I452 PolarHBondContact O-N 2.74Å
449	L	97.6	Very high	95.8	Very high	29 Å²	29	41.6 Å²	41.6	15%	0.152	21%	0.213	C	C	.	.	H	α-helix	trans	-61.7	-36.7	176.5	-178.7	60.7	0	0	0	112.5	L334 L338 Y445 T447 I452 K453	L334-L449 HydrophobicContact CD1-CB 3.88Å; L334-L449 HydrophobicContact CD1-CD1 3.87Å; L334-L449 HydrophobicContact CD1-CG 4.34Å; L338-L449 HydrophobicContact CD2-CD1 4.15Å; Y445-L449 HydrophobicContact CE1-CD2 3.99Å; Y445-L449 VanDerWaalsContact O-CB 3.25Å; Y445-L449 WeakPolarHBondContact O-CB 3.4Å; Y445-L449 PolarHBondContact O-N 3.16Å; T447-L449 VanDerWaalsContact C-N 3.32Å; T447-L449 PolarHBondContact O-N 2.85Å; L449-I452 PolarHBondContact O-N 2.78Å; L449-K453 HydrophobicContact CD1-CG 4.45Å; L449-K453 HydrophobicContact CG-CD 4.45Å; L449-K453 WeakPolarHBondContact O-CG 3.36Å; L449-K453 PolarHBondContact O-N 2.97Å
450	K	96.5	Very high	95.7	Very high	88 Å²	88	41 Å²	41	38%	0.383	21%	0.208	S	C	.	.	H	α-helix	trans	-59.4	-49.7	174.5	-70.4	170.5	-173.4	175.6	0	110.7	N446 T447 A448 I452 K453 E454	N446-K450 WeakPolarHBondContact O-CG 3.39Å; N446-K450 PolarHBondContact O-N 2.57Å; T447-K450 WeakPolarHBondContact O-CB 3.31Å; T447-K450 PolarHBondContact O-N 3.32Å; A448-K450 VanDerWaalsContact C-N 3.31Å; A448-K450 PolarHBondContact O-N 3.22Å; K450-I452 PolarHBondContact O-N 3.34Å; K450-K453 PolarHBondContact O-N 3.11Å; K450-E454 PolarHBondContact O-N 3.09Å; K450-E454 VanDerWaalsContact O-N 3.07Å
451	F	95.3	Very high	95.5	Very high	8 Å²	8	41 Å²	41	4%	0.035	21%	0.208	C	C	.	.	H	α-helix	trans	-64.7	-37.3	178.2	-73.9	-62.5	0	0	0	113.4	V35 I278 L279 A282 T447 A448 K453 E454 I455	V35-F451 HydrophobicContact CG2-CE2 4.43Å; V35-F451 HydrophobicContact CG2-CZ 4.28Å; I278-F451 HydrophobicContact CG2-CD2 3.57Å; I278-F451 HydrophobicContact CG2-CE2 3.67Å; L279-F451 HydrophobicContact CD2-CE2 4.44Å; L279-F451 HydrophobicContact CD2-CZ 4.41Å; A282-F451 HydrophobicContact CB-CB 3.63Å; T447-F451 HydrophobicContact CG2-CD2 4.45Å; T447-F451 HydrophobicContact CG2-CE2 4.09Å; T447-F451 WeakPolarHBondContact O-CD2 3.4Å; T447-F451 PolarHBondContact O-N 2.94Å; A448-F451 PolarHBondContact O-N 3.44Å; F451-K453 VanDerWaalsContact C-N 3.34Å; F451-E454 PolarHBondContact O-N 2.85Å; F451-I455 WeakPolarHBondContact O-CD1 3.11Å; F451-I455 WeakPolarHBondContact O-CG1 3.42Å; F451-I455 PolarHBondContact O-N 3.17Å; F451-I455 VanDerWaalsContact O-N 3.09Å
452	I	96.2	Very high	95	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	22%	0.219	C	C	.	.	H	α-helix	trans	-62.2	-43.7	174.5	-68.3	167.8	0	0	0	110.4	A282 I285 L289 L334 L338 A448 L449 K450 E454 I455 E456	A282-I452 HydrophobicContact CB-CG1 4.08Å; A282-I452 WeakPolarHBondContact O-CG1 3.42Å; I285-I452 HydrophobicContact CB-CD1 3.85Å; I285-I452 HydrophobicContact CG2-CD1 3.66Å; L289-I452 HydrophobicContact CD1-CG2 4.2Å; L334-I452 HydrophobicContact CD1-CD1 4.36Å; L334-I452 HydrophobicContact CD2-CD1 3.49Å; L334-I452 VanDerWaalsContact CD2-CD1 3.49Å; L334-I452 HydrophobicContact CG-CD1 3.98Å; L338-I452 HydrophobicContact CD1-CD1 3.91Å; L338-I452 HydrophobicContact CD1-CG2 4.18Å; A448-I452 WeakPolarHBondContact O-CG1 3.19Å; A448-I452 PolarHBondContact O-N 2.74Å; L449-I452 PolarHBondContact O-N 2.78Å; K450-I452 PolarHBondContact O-N 3.34Å; I452-E454 PolarHBondContact O-N 2.95Å; I452-I455 PolarHBondContact O-N 3.39Å; I452-E456 HydrophobicContact CG2-CG 4.16Å; I452-E456 WeakPolarHBondContact O-CB 3.49Å; I452-E456 WeakPolarHBondContact O-CG 3.34Å; I452-E456 PolarHBondContact O-N 3.05Å
453	K	96.3	Very high	94.7	Very high	116 Å²	116	47.2 Å²	47.2	50%	0.504	23%	0.234	S	C	.	.	H	α-helix	trans	-60.9	-43.7	177.3	-73.8	175.9	177.3	-178.4	0	112	L449 K450 F451 I455 E456 E457	L449-K453 HydrophobicContact CD1-CG 4.45Å; L449-K453 HydrophobicContact CG-CD 4.45Å; L449-K453 WeakPolarHBondContact O-CG 3.36Å; L449-K453 PolarHBondContact O-N 2.97Å; K450-K453 PolarHBondContact O-N 3.11Å; F451-K453 VanDerWaalsContact C-N 3.34Å; K453-I455 VanDerWaalsContact C-N 3.32Å; K453-I455 PolarHBondContact O-N 2.89Å; K453-E456 PolarHBondContact O-N 2.62Å; K453-E457 WeakPolarHBondContact O-CG 3.46Å; K453-E457 PolarHBondContact O-N 3.09Å
454	E	94.3	Very high	94.5	Very high	72 Å²	72	44.5 Å²	44.5	34%	0.336	22%	0.22	S	C	.	.	H	α-helix	trans	-55.7	-46.5	173.8	-70.8	175.5	-164.4	0	0	111.6	K450 F451 I452 E456 E457 M458 R473	K450-E454 PolarHBondContact O-N 3.09Å; K450-E454 VanDerWaalsContact O-N 3.07Å; F451-E454 PolarHBondContact O-N 2.85Å; I452-E454 PolarHBondContact O-N 2.95Å; E454-E456 VanDerWaalsContact C-N 3.34Å; E454-E456 PolarHBondContact O-N 2.95Å; E454-E457 PolarHBondContact O-N 3.24Å; E454-M458 VanDerWaalsContact O-CG 3.27Å; E454-M458 WeakPolarHBondContact O-CG 3.36Å; E454-M458 PolarHBondContact O-N 2.83Å; E454-M458 VanDerWaalsContact O-N 3.1Å; E454-R473 IonicContact OE2-CZ 3.48Å; E454-R473 IonicContact OE2-NH1 2.83Å; E454-R473 IonicContact OE2-NH2 2.72Å; E454-R473 PolarHBondContact OE2-NH2 3.43Å
455	I	94.9	Very high	94	Very high	10 Å²	10	45.3 Å²	45.3	5%	0.051	23%	0.225	C	C	.	.	H	α-helix	trans	-64	-40.4	179.2	-68.3	160.1	0	0	0	111.5	Y283 A286 F451 I452 K453 M458 G459 G460 M461 A464	Y283-I455 HydrophobicContact CD1-CD1 3.56Å; Y283-I455 HydrophobicContact CE1-CD1 3.77Å; A286-I455 HydrophobicContact CB-CD1 4.04Å; A286-I455 HydrophobicContact CB-CG2 4.08Å; F451-I455 WeakPolarHBondContact O-CD1 3.11Å; F451-I455 WeakPolarHBondContact O-CG1 3.42Å; F451-I455 PolarHBondContact O-N 3.17Å; F451-I455 VanDerWaalsContact O-N 3.09Å; I452-I455 PolarHBondContact O-N 3.39Å; K453-I455 VanDerWaalsContact C-N 3.32Å; K453-I455 PolarHBondContact O-N 2.89Å; I455-M458 WeakPolarHBondContact O-CB 3.3Å; I455-M458 PolarHBondContact O-N 3.25Å; I455-G459 PolarHBondContact O-N 3.5Å; I455-G460 WeakPolarHBondContact O-CA 3.43Å; I455-G460 PolarHBondContact O-N 2.9Å; I455-M461 HydrophobicContact CD1-SD 3.96Å; I455-M461 HydrophobicContact CG1-SD 4.38Å; I455-M461 HydrophobicContact CG2-CB 4.09Å; I455-M461 HydrophobicContact CG2-SD 3.86Å; I455-A464 HydrophobicContact CG2-CB 4.46Å
456	E	94.3	Very high	93.4	Very high	50 Å²	50	47.2 Å²	47.2	23%	0.234	25%	0.247	C	C	.	.	H	α-helix	trans	-67.8	-39.2	179.6	-68.7	-78.1	97.9	0	0	111.5	R293 I452 K453 E454 M458 G459	R293-E456 IonicContact CZ-OE1 3.8Å; R293-E456 IonicContact CZ-OE2 3.95Å; R293-E456 IonicContact NH1-OE1 2.75Å; R293-E456 PolarHBondContact NH1-OE1 2.78Å; R293-E456 IonicContact NH1-OE2 3.83Å; R293-E456 IonicContact NH2-OE1 3.69Å; R293-E456 PolarHBondContact NH2-OE1 2.86Å; R293-E456 IonicContact NH2-OE2 2.78Å; R293-E456 PolarHBondContact NH2-OE2 2.87Å; I452-E456 HydrophobicContact CG2-CG 4.16Å; I452-E456 WeakPolarHBondContact O-CB 3.49Å; I452-E456 WeakPolarHBondContact O-CG 3.34Å; I452-E456 PolarHBondContact O-N 3.05Å; K453-E456 PolarHBondContact O-N 2.62Å; E454-E456 VanDerWaalsContact C-N 3.34Å; E454-E456 PolarHBondContact O-N 2.95Å; E456-M458 VanDerWaalsContact C-N 3.27Å; E456-M458 PolarHBondContact O-N 2.77Å; E456-G459 PolarHBondContact O-N 2.92Å
457	E	94.4	Very high	93	Very high	167 Å²	167	46.5 Å²	46.5	78%	0.78	24%	0.241	S	C	*	.	H	α-helix	trans	-62.7	-32.4	172.8	-73.7	174	-171.8	0	0	112.6	K453 E454 G459	K453-E457 WeakPolarHBondContact O-CG 3.46Å; K453-E457 PolarHBondContact O-N 3.09Å; E454-E457 PolarHBondContact O-N 3.24Å; E457-G459 PolarHBondContact O-N 3.22Å
458	M	90.3	Very high	92.5	Very high	53 Å²	53	46.9 Å²	46.9	26%	0.261	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-9	173.8	-69	178.2	71	0	0	113.7	E454 I455 E456 R463 E467 I469	E454-M458 VanDerWaalsContact O-CG 3.27Å; E454-M458 WeakPolarHBondContact O-CG 3.36Å; E454-M458 PolarHBondContact O-N 2.83Å; E454-M458 VanDerWaalsContact O-N 3.1Å; I455-M458 WeakPolarHBondContact O-CB 3.3Å; I455-M458 PolarHBondContact O-N 3.25Å; E456-M458 VanDerWaalsContact C-N 3.27Å; E456-M458 PolarHBondContact O-N 2.77Å; M458-R463 VanDerWaalsContact O-CD 3.24Å; M458-R463 WeakPolarHBondContact O-CD 3.14Å; M458-R463 PolarHBondContact O-NE 3.27Å; M458-R463 PolarHBondContact O-NH1 3.24Å; M458-E467 WeakPolarHBondContact CE-OE2 3.4Å; M458-I469 HydrophobicContact CE-CD1 3.25Å; M458-I469 HydrophobicContact SD-CD1 4.45Å
459	G	91.9	Very high	92.2	Very high	47 Å²	47	48.5 Å²	48.5	49%	0.485	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	99	23.6	-177.9	0	0	0	0	0	114.2	I455 E456 E457	I455-G459 PolarHBondContact O-N 3.5Å; E456-G459 PolarHBondContact O-N 2.92Å; E457-G459 PolarHBondContact O-N 3.22Å
460	G	92.6	Very high	91.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.249	C	C	.	.			trans	93.4	170.8	173	0	0	0	0	0	114.3	I455 A462 R463 A464	I455-G460 WeakPolarHBondContact O-CA 3.43Å; I455-G460 PolarHBondContact O-N 2.9Å; G460-A462 PolarHBondContact O-N 3.18Å; G460-R463 PolarHBondContact O-N 3.18Å; G460-A464 PolarHBondContact O-N 3.37Å
461	M	92.8	Very high	91.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-69.7	-33.1	-167	-163.9	54.6	-179.6	0	0	113.1	M230 Y283 A286 N287 I455 R463 A464 V465 P470	M230-M461 HydrophobicContact CE-CE 3.63Å; M230-M461 HydrophobicContact SD-CE 3.3Å; M230-M461 WeakPolarHBondContact SD-CE 3.28Å; Y283-M461 HydrophobicContact CD1-CE 3.86Å; Y283-M461 HydrophobicContact CD1-SD 4.46Å; Y283-M461 HydrophobicContact CD2-CE 4.4Å; Y283-M461 HydrophobicContact CG-CE 3.73Å; A286-M461 HydrophobicContact CB-CB 4.1Å; A286-M461 HydrophobicContact CB-CG 4.18Å; A286-M461 HydrophobicContact CB-SD 4.23Å; N287-M461 WeakPolarHBondContact OD1-CG 3.21Å; I455-M461 HydrophobicContact CD1-SD 3.96Å; I455-M461 HydrophobicContact CG1-SD 4.38Å; I455-M461 HydrophobicContact CG2-CB 4.09Å; I455-M461 HydrophobicContact CG2-SD 3.86Å; M461-R463 VanDerWaalsContact C-N 3.28Å; M461-R463 PolarHBondContact O-N 2.93Å; M461-A464 PolarHBondContact O-N 2.91Å; M461-A464 HydrophobicContact SD-CB 4.29Å; M461-V465 HydrophobicContact CE-CG2 4.03Å; M461-V465 HydrophobicContact CG-CG2 4.29Å; M461-V465 WeakPolarHBondContact O-CB 3.37Å; M461-V465 VanDerWaalsContact O-CG2 3.22Å; M461-V465 WeakPolarHBondContact O-CG2 3.41Å; M461-V465 PolarHBondContact O-N 3.28Å; M461-V465 HydrophobicContact SD-CG2 4.46Å; M461-P470 HydrophobicContact CE-CB 3.87Å; M461-P470 HydrophobicContact CE-CG 3.63Å; M461-P470 HydrophobicContact SD-CG 4.16Å
462	A	88.9	Confident	91.6	Very high	27 Å²	27	47.3 Å²	47.3	22%	0.223	25%	0.252	C	S	.	.	H	α-helix	trans	-59.4	-40.1	176.5	0	0	0	0	0	112.3	L226 E290 G460 A466	L226-A462 HydrophobicContact CD2-CB 4.22Å; E290-A462 HydrophobicContact CG-CB 3.91Å; G460-A462 PolarHBondContact O-N 3.18Å; A462-A466 PolarHBondContact O-N 3.29Å; A462-A466 VanDerWaalsContact O-N 3.11Å
463	R	89.4	Confident	91.5	Very high	142 Å²	142	48.2 Å²	48.2	54%	0.536	26%	0.255	S	S	.	.	H	α-helix	trans	-72.5	-44.6	176.7	-179.3	166.9	170.4	-171.8	7.4	111.8	M458 G460 M461 V465 A466 E467	M458-R463 VanDerWaalsContact O-CD 3.24Å; M458-R463 WeakPolarHBondContact O-CD 3.14Å; M458-R463 PolarHBondContact O-NE 3.27Å; M458-R463 PolarHBondContact O-NH1 3.24Å; G460-R463 PolarHBondContact O-N 3.18Å; M461-R463 VanDerWaalsContact C-N 3.28Å; M461-R463 PolarHBondContact O-N 2.93Å; R463-V465 VanDerWaalsContact C-N 3.27Å; R463-V465 PolarHBondContact O-N 3.07Å; R463-A466 PolarHBondContact O-N 3.48Å; R463-A466 VanDerWaalsContact O-N 3.13Å; R463-E467 IonicContact CZ-OE1 2.69Å; R463-E467 IonicContact NE-OE1 2.99Å; R463-E467 PolarHBondContact NE-OE1 2.79Å; R463-E467 IonicContact NH2-OE1 3.66Å; R463-E467 WeakPolarHBondContact O-CG 3.26Å; R463-E467 PolarHBondContact O-N 3.43Å
464	A	90.8	Very high	91.4	Very high	2 Å²	2	42.9 Å²	42.9	2%	0.017	23%	0.232	C	C	.	.	H	α-helix	trans	-58.2	-40.3	176.7	0	0	0	0	0	112.1	I455 G460 M461 E467 G468 I469 P470	I455-A464 HydrophobicContact CG2-CB 4.46Å; G460-A464 PolarHBondContact O-N 3.37Å; M461-A464 PolarHBondContact O-N 2.91Å; M461-A464 HydrophobicContact SD-CB 4.29Å; A464-E467 PolarHBondContact O-N 3.37Å; A464-G468 PolarHBondContact O-N 3.24Å; A464-I469 PolarHBondContact O-N 3.12Å; A464-P470 HydrophobicContact CB-CG 4.12Å; A464-P470 WeakPolarHBondContact O-CD 3.46Å
465	V	88.8	Confident	91.5	Very high	16 Å²	16	40.4 Å²	40.4	10%	0.097	22%	0.22	C	C	.	.	H	α-helix	trans	-64.4	-45.3	174.4	169.8	0	0	0	0	111.4	F229 M230 M461 R463 E467 G468 P470	F229-V465 HydrophobicContact CB-CG1 3.52Å; F229-V465 HydrophobicContact CD2-CG1 4.48Å; F229-V465 HydrophobicContact CG-CG1 4.36Å; M230-V465 HydrophobicContact CE-CG2 4.27Å; M230-V465 HydrophobicContact CG-CG1 4.34Å; M230-V465 HydrophobicContact CG-CG2 3.69Å; M230-V465 HydrophobicContact SD-CG2 3.89Å; M461-V465 HydrophobicContact CE-CG2 4.03Å; M461-V465 HydrophobicContact CG-CG2 4.29Å; M461-V465 WeakPolarHBondContact O-CB 3.37Å; M461-V465 VanDerWaalsContact O-CG2 3.22Å; M461-V465 WeakPolarHBondContact O-CG2 3.41Å; M461-V465 PolarHBondContact O-N 3.28Å; M461-V465 HydrophobicContact SD-CG2 4.46Å; R463-V465 VanDerWaalsContact C-N 3.27Å; R463-V465 PolarHBondContact O-N 3.07Å; V465-E467 PolarHBondContact O-N 3.33Å; V465-G468 WeakPolarHBondContact O-CA 3.42Å; V465-G468 PolarHBondContact O-N 3.46Å; V465-P470 HydrophobicContact CG2-CG 4.31Å
466	A	85.7	Confident	91.4	Very high	72 Å²	72	41.8 Å²	41.8	60%	0.595	23%	0.227	S	C	*	.	H	α-helix	trans	-62	-32.5	176.5	0	0	0	0	0	112.7	A462 R463 G468	A462-A466 PolarHBondContact O-N 3.29Å; A462-A466 VanDerWaalsContact O-N 3.11Å; R463-A466 PolarHBondContact O-N 3.48Å; R463-A466 VanDerWaalsContact O-N 3.13Å; A466-G468 VanDerWaalsContact C-N 3.28Å; A466-G468 PolarHBondContact O-N 3.3Å
467	E	87.1	Confident	91.5	Very high	65 Å²	65	40.1 Å²	40.1	30%	0.304	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-8	174.5	-69.2	179.7	-166.6	0	0	113.5	M458 R463 A464 V465 I469 R587	M458-E467 WeakPolarHBondContact CE-OE2 3.4Å; R463-E467 IonicContact CZ-OE1 2.69Å; R463-E467 IonicContact NE-OE1 2.99Å; R463-E467 PolarHBondContact NE-OE1 2.79Å; R463-E467 IonicContact NH2-OE1 3.66Å; R463-E467 WeakPolarHBondContact O-CG 3.26Å; R463-E467 PolarHBondContact O-N 3.43Å; A464-E467 PolarHBondContact O-N 3.37Å; V465-E467 PolarHBondContact O-N 3.33Å; E467-I469 VanDerWaalsContact C-N 3.33Å; E467-I469 HydrophobicContact CB-CD1 4.14Å; E467-I469 HydrophobicContact CB-CG1 4.43Å; E467-I469 PolarHBondContact O-N 3.33Å; E467-R587 PolarHBondContact O-NH1 3.02Å; E467-R587 PolarHBondContact O-NH2 3.33Å
468	G	87.8	Confident	91.6	Very high	18 Å²	18	32.2 Å²	32.2	19%	0.186	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	11.3	174.7	0	0	0	0	0	115.5	A464 V465 A466 L472	A464-G468 PolarHBondContact O-N 3.24Å; V465-G468 WeakPolarHBondContact O-CA 3.42Å; V465-G468 PolarHBondContact O-N 3.46Å; A466-G468 VanDerWaalsContact C-N 3.28Å; A466-G468 PolarHBondContact O-N 3.3Å; G468-L472 PolarHBondContact O-N 3.4Å
469	I	89.5	Confident	91.8	Very high	35 Å²	35	29.7 Å²	29.7	18%	0.179	17%	0.171	C	C	.	.	H	α-helix	trans	-71.4	-46.9	-174.1	-68.2	162.2	0	0	0	112.6	M458 A464 E467 K471 L472 R473	M458-I469 HydrophobicContact CE-CD1 3.25Å; M458-I469 HydrophobicContact SD-CD1 4.45Å; A464-I469 PolarHBondContact O-N 3.12Å; E467-I469 VanDerWaalsContact C-N 3.33Å; E467-I469 HydrophobicContact CB-CD1 4.14Å; E467-I469 HydrophobicContact CB-CG1 4.43Å; E467-I469 PolarHBondContact O-N 3.33Å; I469-K471 VanDerWaalsContact C-N 3.33Å; I469-K471 PolarHBondContact O-N 3.03Å; I469-L472 PolarHBondContact O-N 2.88Å; I469-R473 PolarHBondContact O-N 3.08Å; I469-R473 VanDerWaalsContact O-N 3.12Å
470	P	92.9	Very high	91.9	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.013	16%	0.159	C	C	.	.	H	α-helix	trans	-57.9	-44.6	179	-27.6	36.5	0	0	0	112.6	M230 Y283 M461 A464 V465 L472 R473 I474	M230-P470 HydrophobicContact CG-CB 4.22Å; M230-P470 HydrophobicContact SD-CB 3.59Å; M230-P470 VanDerWaalsContact SD-CB 3.59Å; M230-P470 HydrophobicContact SD-CG 4.31Å; Y283-P470 HydrophobicContact CD2-CB 4.14Å; Y283-P470 HydrophobicContact CE1-CB 4.4Å; Y283-P470 HydrophobicContact CE2-CB 3.77Å; M461-P470 HydrophobicContact CE-CB 3.87Å; M461-P470 HydrophobicContact CE-CG 3.63Å; M461-P470 HydrophobicContact SD-CG 4.16Å; A464-P470 HydrophobicContact CB-CG 4.12Å; A464-P470 WeakPolarHBondContact O-CD 3.46Å; V465-P470 HydrophobicContact CG2-CG 4.31Å; P470-L472 PolarHBondContact O-N 3.45Å; P470-R473 PolarHBondContact O-N 3.16Å; P470-I474 VanDerWaalsContact O-CG1 3.29Å; P470-I474 WeakPolarHBondContact O-CG1 3.48Å; P470-I474 PolarHBondContact O-N 2.76Å; P470-I474 VanDerWaalsContact O-N 3.07Å
471	K	92.9	Very high	92.1	Very high	41 Å²	41	33.1 Å²	33.1	18%	0.178	17%	0.169	C	C	.	.	H	α-helix	trans	-59.4	-46.3	178	-177.7	170.3	-177.6	61.8	0	111.6	M230 I469 R473 I474 E475 D637	M230-K471 VanDerWaalsContact O-CD 3.28Å; M230-K471 WeakPolarHBondContact O-CD 3.36Å; M230-K471 VanDerWaalsContact O-CG 3.26Å; M230-K471 WeakPolarHBondContact O-CG 3.49Å; M230-K471 PolarHBondContact O-NZ 2.97Å; I469-K471 VanDerWaalsContact C-N 3.33Å; I469-K471 PolarHBondContact O-N 3.03Å; K471-R473 PolarHBondContact O-N 2.98Å; K471-I474 PolarHBondContact O-N 3.21Å; K471-E475 WeakPolarHBondContact CE-OE1 3.38Å; K471-E475 HydrophobicContact CG-CG 4.4Å; K471-E475 IonicContact NZ-OE1 3.87Å; K471-E475 PolarHBondContact NZ-OE1 2.9Å; K471-E475 WeakPolarHBondContact O-CG 3.46Å; K471-E475 PolarHBondContact O-N 2.75Å; K471-D637 IonicContact NZ-OD1 3.92Å; K471-D637 IonicContact NZ-OD2 3.5Å; K471-D637 PolarHBondContact NZ-OD2 2.68Å
472	L	91.8	Very high	92.2	Very high	56 Å²	56	34.6 Å²	34.6	29%	0.293	18%	0.176	S	C	.	.	H	α-helix	trans	-61.6	-42.4	-179.9	-172.8	69.6	0	0	0	112.3	G468 I469 P470 E475 E476 V589	G468-L472 PolarHBondContact O-N 3.4Å; I469-L472 PolarHBondContact O-N 2.88Å; P470-L472 PolarHBondContact O-N 3.45Å; L472-E475 PolarHBondContact O-N 3.15Å; L472-E476 PolarHBondContact O-N 3.2Å; L472-V589 HydrophobicContact CD1-CG2 3.6Å; L472-V589 HydrophobicContact CG-CG2 4.45Å
473	R	93.3	Very high	92.4	Very high	22 Å²	22	33.3 Å²	33.3	8%	0.083	17%	0.166	C	C	.	.	H	α-helix	trans	-65.5	-38.5	177.5	-70.4	-172.6	179.9	-177.3	9.1	111.9	I31 T33 L279 Y283 E454 I469 P470 K471 E476 C477	I31-R473 VanDerWaalsContact CG2-CZ 3.49Å; T33-R473 HydrophobicContact CG2-CB 4.48Å; T33-R473 HydrophobicContact CG2-CG 4.17Å; L279-R473 HydrophobicContact CD1-CB 4.3Å; Y283-R473 VanDerWaalsContact OH-CD 3.24Å; Y283-R473 WeakPolarHBondContact OH-CD 3.28Å; E454-R473 IonicContact OE2-CZ 3.48Å; E454-R473 IonicContact OE2-NH1 2.83Å; E454-R473 IonicContact OE2-NH2 2.72Å; E454-R473 PolarHBondContact OE2-NH2 3.43Å; I469-R473 PolarHBondContact O-N 3.08Å; I469-R473 VanDerWaalsContact O-N 3.12Å; P470-R473 PolarHBondContact O-N 3.16Å; K471-R473 PolarHBondContact O-N 2.98Å; R473-E476 PolarHBondContact O-N 3.36Å; R473-C477 PolarHBondContact O-N 2.99Å; R473-C477 VanDerWaalsContact O-N 3.08Å; R473-C477 PolarHBondContact O-SG 3.43Å
474	I	95.9	Very high	92.6	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.015	15%	0.147	C	C	.	.	H	α-helix	trans	-64.6	-45.1	175.2	-66.5	170.8	0	0	0	110.9	V231 L270 A273 A275 Y283 P470 K471 E476 C477 A478	V231-I474 HydrophobicContact CG1-CD1 3.69Å; V231-I474 HydrophobicContact CG1-CG2 4.16Å; L270-I474 HydrophobicContact CB-CD1 4.31Å; L270-I474 HydrophobicContact CD2-CD1 3.83Å; A273-I474 HydrophobicContact CB-CG2 3.82Å; A275-I474 HydrophobicContact CB-CD1 4.39Å; A275-I474 HydrophobicContact CB-CG1 3.96Å; A275-I474 HydrophobicContact CB-CG2 4.38Å; Y283-I474 HydrophobicContact CD2-CD1 4.07Å; Y283-I474 HydrophobicContact CD2-CG1 4.44Å; Y283-I474 HydrophobicContact CE2-CD1 4.04Å; Y283-I474 HydrophobicContact CE2-CG1 3.99Å; P470-I474 VanDerWaalsContact O-CG1 3.29Å; P470-I474 WeakPolarHBondContact O-CG1 3.48Å; P470-I474 PolarHBondContact O-N 2.76Å; P470-I474 VanDerWaalsContact O-N 3.07Å; K471-I474 PolarHBondContact O-N 3.21Å; I474-E476 VanDerWaalsContact C-N 3.26Å; I474-E476 PolarHBondContact O-N 3.03Å; I474-C477 PolarHBondContact O-N 3.43Å; I474-A478 PolarHBondContact O-N 2.83Å
475	E	94.8	Very high	92.8	Very high	21 Å²	21	28.8 Å²	28.8	10%	0.098	15%	0.149	C	C	.	.	H	α-helix	trans	-61.1	-35.5	176.4	-72.2	177.1	176.4	0	0	111.5	K471 L472 A478 A479 V589 K641	K471-E475 WeakPolarHBondContact CE-OE1 3.38Å; K471-E475 HydrophobicContact CG-CG 4.4Å; K471-E475 IonicContact NZ-OE1 3.87Å; K471-E475 PolarHBondContact NZ-OE1 2.9Å; K471-E475 WeakPolarHBondContact O-CG 3.46Å; K471-E475 PolarHBondContact O-N 2.75Å; L472-E475 PolarHBondContact O-N 3.15Å; E475-A478 PolarHBondContact O-N 3.38Å; E475-A479 WeakPolarHBondContact O-CB 3.38Å; E475-A479 PolarHBondContact O-N 3.11Å; E475-V589 HydrophobicContact CB-CG2 3.56Å; E475-K641 WeakPolarHBondContact OE1-CE 3.29Å; E475-K641 IonicContact OE1-NZ 3.97Å
476	E	93.9	Very high	92.9	Very high	39 Å²	39	28.2 Å²	28.2	18%	0.182	15%	0.145	C	C	.	.	H	α-helix	trans	-65.6	-46.2	174.1	-169.4	-177.7	149.4	0	0	112.1	T33 L472 R473 I474 A478 A479 R480 V589 A592	T33-E476 HydrophobicContact CG2-CB 4.45Å; T33-E476 HydrophobicContact CG2-CG 4.34Å; T33-E476 WeakPolarHBondContact CG2-OE1 3.27Å; T33-E476 WeakPolarHBondContact CG2-OE2 3.37Å; T33-E476 PolarHBondContact OG1-OE1 2.81Å; L472-E476 PolarHBondContact O-N 3.2Å; R473-E476 PolarHBondContact O-N 3.36Å; I474-E476 VanDerWaalsContact C-N 3.26Å; I474-E476 PolarHBondContact O-N 3.03Å; E476-A478 VanDerWaalsContact C-N 3.28Å; E476-A478 PolarHBondContact O-N 3.38Å; E476-A479 PolarHBondContact O-N 2.92Å; E476-R480 WeakPolarHBondContact O-CG 3.36Å; E476-R480 PolarHBondContact O-N 3.04Å; E476-R480 IonicContact OE1-CZ 3.82Å; E476-R480 IonicContact OE1-NE 3.59Å; E476-R480 PolarHBondContact OE1-NE 3.34Å; E476-R480 IonicContact OE1-NH2 3Å; E476-R480 PolarHBondContact OE1-NH2 3.09Å; E476-V589 HydrophobicContact CB-CG1 4.42Å; E476-V589 HydrophobicContact CG-CG1 4.5Å; E476-A592 HydrophobicContact CG-CB 3.76Å
477	C	95.7	Very high	93.1	Very high	15 Å²	15	26.2 Å²	26.2	10%	0.101	13%	0.127	C	C	.	.	H	α-helix	trans	-60.1	-40.1	175.5	-67.6	0	0	0	0	111.4	G274 D276 R473 I474 R481	G274-C477 WeakPolarHBondContact O-CB 3.4Å; D276-C477 PolarHBondContact OD2-SG 2.86Å; D276-C477 VanDerWaalsContact OD2-SG 3.37Å; R473-C477 PolarHBondContact O-N 2.99Å; R473-C477 VanDerWaalsContact O-N 3.08Å; R473-C477 PolarHBondContact O-SG 3.43Å; I474-C477 PolarHBondContact O-N 3.43Å; C477-R481 VanDerWaalsContact O-CB 3.32Å; C477-R481 WeakPolarHBondContact O-CB 3.49Å; C477-R481 PolarHBondContact O-N 2.92Å
478	A	95.9	Very high	93.3	Very high	1 Å²	1	25 Å²	25	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-61.9	-45.1	175.3	0	0	0	0	0	112.4	A273 I474 E475 E476 R481 Q482 R638 V642	A273-A478 WeakPolarHBondContact O-CB 3.46Å; I474-A478 PolarHBondContact O-N 2.83Å; E475-A478 PolarHBondContact O-N 3.38Å; E476-A478 VanDerWaalsContact C-N 3.28Å; E476-A478 PolarHBondContact O-N 3.38Å; A478-R481 PolarHBondContact O-N 2.88Å; A478-Q482 PolarHBondContact O-N 3.16Å; A478-R638 HydrophobicContact CB-CG 4.25Å; A478-V642 HydrophobicContact CB-CG2 3.99Å
479	A	94.5	Very high	93.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.1	-45.5	179.1	0	0	0	0	0	112	E475 E476 R481 Q482 A483 A592 T645	E475-A479 WeakPolarHBondContact O-CB 3.38Å; E475-A479 PolarHBondContact O-N 3.11Å; E476-A479 PolarHBondContact O-N 2.92Å; A479-R481 VanDerWaalsContact C-N 3.35Å; A479-R481 PolarHBondContact O-N 3.48Å; A479-Q482 PolarHBondContact O-N 2.99Å; A479-A483 PolarHBondContact O-N 3.12Å; A479-A592 HydrophobicContact CB-CB 4.18Å; A479-T645 HydrophobicContact CB-CG2 4.09Å
480	R	94.7	Very high	93.7	Very high	62 Å²	62	28 Å²	28	23%	0.234	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-44.9	175	-69.4	174.7	179.9	-101.4	7.1	111.3	T33 E476 Q482 A483 R484 E596	T33-R480 PolarHBondContact OG1-NH2 3.16Å; E476-R480 WeakPolarHBondContact O-CG 3.36Å; E476-R480 PolarHBondContact O-N 3.04Å; E476-R480 IonicContact OE1-CZ 3.82Å; E476-R480 IonicContact OE1-NE 3.59Å; E476-R480 PolarHBondContact OE1-NE 3.34Å; E476-R480 IonicContact OE1-NH2 3Å; E476-R480 PolarHBondContact OE1-NH2 3.09Å; R480-Q482 PolarHBondContact O-N 3.21Å; R480-A483 WeakPolarHBondContact O-CB 3.49Å; R480-A483 PolarHBondContact O-N 3Å; R480-R484 PolarHBondContact O-N 3.36Å; R480-E596 HydrophobicContact CB-CB 4.14Å; R480-E596 HydrophobicContact CB-CG 3.81Å; R480-E596 HydrophobicContact CG-CB 4.06Å; R480-E596 HydrophobicContact CG-CG 4.17Å; R480-E596 IonicContact NH1-OE2 3.89Å; R480-E596 PolarHBondContact NH1-OE2 2.84Å; R480-E596 WeakPolarHBondContact O-CG 3.02Å
481	R	96.3	Very high	94	Very high	57 Å²	57	31.4 Å²	31.4	22%	0.215	17%	0.169	C	C	.	.	H	α-helix	trans	-61.6	-43.2	177.9	-167.6	171.6	-168.4	178.5	1.3	112.2	W362 C477 A478 A479 A483 R484 I485 E490	W362-R481 HydrophobicContact CH2-CG 4.35Å; W362-R481 VanDerWaalsContact CZ3-NH1 3.32Å; C477-R481 VanDerWaalsContact O-CB 3.32Å; C477-R481 WeakPolarHBondContact O-CB 3.49Å; C477-R481 PolarHBondContact O-N 2.92Å; A478-R481 PolarHBondContact O-N 2.88Å; A479-R481 VanDerWaalsContact C-N 3.35Å; A479-R481 PolarHBondContact O-N 3.48Å; R481-A483 VanDerWaalsContact C-N 3.31Å; R481-A483 PolarHBondContact O-N 3.4Å; R481-R484 PolarHBondContact O-N 3.34Å; R481-I485 HydrophobicContact CG-CD1 4.12Å; R481-I485 WeakPolarHBondContact O-CG1 3.42Å; R481-I485 PolarHBondContact O-N 3.13Å; R481-I485 VanDerWaalsContact O-N 3.09Å; R481-E490 IonicContact CZ-OE1 3.32Å; R481-E490 IonicContact NE-OE1 2.63Å; R481-E490 PolarHBondContact NE-OE1 3.2Å; R481-E490 IonicContact NE-OE2 2.69Å; R481-E490 IonicContact NH2-OE1 3.93Å; R481-E490 PolarHBondContact NH2-OE1 3.49Å
482	Q	95.7	Very high	94.2	Very high	31 Å²	31	31 Å²	31	15%	0.145	17%	0.168	C	C	.	.	H	α-helix	trans	-61.5	-41	175.8	-166.9	66.3	43.1	0	0	111.7	A478 A479 R480 R484 I485 D486 Y593 V642 I737	A478-Q482 PolarHBondContact O-N 3.16Å; A479-Q482 PolarHBondContact O-N 2.99Å; R480-Q482 PolarHBondContact O-N 3.21Å; Q482-R484 VanDerWaalsContact C-N 3.33Å; Q482-R484 PolarHBondContact O-N 2.85Å; Q482-I485 PolarHBondContact O-N 3.37Å; Q482-D486 PolarHBondContact NE2-OD1 3.47Å; Q482-D486 WeakPolarHBondContact O-CB 3.14Å; Q482-D486 PolarHBondContact O-N 3.08Å; Q482-Y593 HydrophobicContact CB-CD2 4.38Å; Q482-Y593 HydrophobicContact CB-CE2 4.27Å; Q482-Y593 HydrophobicContact CG-CE2 4.15Å; Q482-V642 HydrophobicContact CB-CG1 3.64Å; Q482-V642 HydrophobicContact CG-CG1 3.6Å; Q482-I737 HydrophobicContact CG-CD1 4.05Å; Q482-I737 HydrophobicContact CG-CG1 4.38Å
483	A	92.5	Very high	94.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.2	-40.1	176.9	0	0	0	0	0	112.5	A479 R480 R481 S487 Y593 E596 F597	A479-A483 PolarHBondContact O-N 3.12Å; R480-A483 WeakPolarHBondContact O-CB 3.49Å; R480-A483 PolarHBondContact O-N 3Å; R481-A483 VanDerWaalsContact C-N 3.31Å; R481-A483 PolarHBondContact O-N 3.4Å; A483-S487 VanDerWaalsContact O-CB 3.26Å; A483-S487 WeakPolarHBondContact O-CB 3.4Å; A483-S487 PolarHBondContact O-N 2.71Å; A483-S487 PolarHBondContact O-OG 2.64Å; A483-Y593 HydrophobicContact CB-CD2 3.76Å; A483-Y593 HydrophobicContact CB-CE2 3.87Å; A483-Y593 HydrophobicContact CB-CG 4.28Å; A483-Y593 VanDerWaalsContact CB-O 3.31Å; A483-Y593 WeakPolarHBondContact CB-O 3.28Å; A483-E596 HydrophobicContact CB-CB 3.89Å; A483-E596 HydrophobicContact CB-CG 4.16Å; A483-F597 HydrophobicContact CB-CB 4.12Å; A483-F597 HydrophobicContact CB-CD2 4.17Å
484	R	94.3	Very high	94.5	Very high	37 Å²	37	30.3 Å²	30.3	14%	0.14	17%	0.169	C	C	.	.	H	α-helix	trans	-64.2	-39.5	174.6	-69.5	-171.2	-66.7	-91.2	0.9	113.1	R480 R481 Q482 S487 G488 S489 E490 E596	R480-R484 PolarHBondContact O-N 3.36Å; R481-R484 PolarHBondContact O-N 3.34Å; Q482-R484 VanDerWaalsContact C-N 3.33Å; Q482-R484 PolarHBondContact O-N 2.85Å; R484-S487 WeakPolarHBondContact CA-OG 3.37Å; R484-S487 PolarHBondContact O-OG 3.1Å; R484-G488 PolarHBondContact O-N 3.4Å; R484-G488 VanDerWaalsContact O-N 3.11Å; R484-S489 WeakPolarHBondContact CA-OG 3.42Å; R484-S489 VanDerWaalsContact CB-OG 3.28Å; R484-S489 WeakPolarHBondContact CB-OG 3.47Å; R484-S489 WeakPolarHBondContact CG-OG 3.5Å; R484-S489 PolarHBondContact O-N 3.33Å; R484-S489 PolarHBondContact O-OG 2.72Å; R484-E490 HydrophobicContact CB-CB 3.84Å; R484-E490 IonicContact NE-OE2 3.66Å; R484-E490 PolarHBondContact O-N 3.43Å; R484-E596 HydrophobicContact CG-CG 3.94Å; R484-E596 IonicContact CZ-OE1 3.72Å; R484-E596 IonicContact NH1-OE1 2.68Å; R484-E596 PolarHBondContact NH1-OE1 3.05Å; R484-E596 IonicContact NH1-OE2 2.81Å
485	I	94.9	Very high	94.5	Very high	11 Å²	11	30.7 Å²	30.7	6%	0.056	17%	0.172	C	C	.	.	H	α-helix	trans	-68.4	-47	177	-65.3	161.9	0	0	0	110.7	W362 R481 Q482 S487 G488 E490 I492 N496	W362-I485 HydrophobicContact CH2-CD1 3.67Å; W362-I485 HydrophobicContact CZ2-CD1 3.62Å; R481-I485 HydrophobicContact CG-CD1 4.12Å; R481-I485 WeakPolarHBondContact O-CG1 3.42Å; R481-I485 PolarHBondContact O-N 3.13Å; R481-I485 VanDerWaalsContact O-N 3.09Å; Q482-I485 PolarHBondContact O-N 3.37Å; I485-S487 VanDerWaalsContact C-N 3.33Å; I485-S487 PolarHBondContact O-N 3.43Å; I485-G488 PolarHBondContact O-N 3.22Å; I485-G488 VanDerWaalsContact O-N 3.14Å; I485-E490 HydrophobicContact CG1-CB 4.1Å; I485-E490 HydrophobicContact CG1-CG 4.14Å; I485-I492 HydrophobicContact CD1-CD1 3.89Å; I485-I492 HydrophobicContact CG1-CD1 3.95Å; I485-I492 HydrophobicContact CG2-CD1 3.83Å; I485-I492 HydrophobicContact CG2-CG1 4.49Å; I485-N496 PolarHBondContact O-ND2 2.98Å
486	D	91.8	Very high	94.4	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-70.3	-30	-176.5	-76.6	10	0	0	0	112.2	Q482 Y593 F597 R736 I737	Q482-D486 PolarHBondContact NE2-OD1 3.47Å; Q482-D486 WeakPolarHBondContact O-CB 3.14Å; Q482-D486 PolarHBondContact O-N 3.08Å; D486-Y593 PolarHBondContact OD2-OH 3.1Å; D486-Y593 VanDerWaalsContact OD2-OH 3.13Å; D486-F597 HydrophobicContact CB-CE2 3.79Å; D486-R736 PolarHBondContact O-NE 3.38Å; D486-R736 PolarHBondContact O-NH2 3.28Å; D486-R736 WeakPolarHBondContact OD2-CA 3.41Å; D486-I737 PolarHBondContact OD2-N 3.04Å
487	S	88.9	Confident	94.5	Very high	31 Å²	31	34.3 Å²	34.3	22%	0.217	19%	0.188	C	C	.	.	H	α-helix	trans	-80.6	-17.4	172.4	59	0	0	0	0	113.2	A483 R484 I485 S489	A483-S487 VanDerWaalsContact O-CB 3.26Å; A483-S487 WeakPolarHBondContact O-CB 3.4Å; A483-S487 PolarHBondContact O-N 2.71Å; A483-S487 PolarHBondContact O-OG 2.64Å; R484-S487 WeakPolarHBondContact CA-OG 3.37Å; R484-S487 PolarHBondContact O-OG 3.1Å; I485-S487 VanDerWaalsContact C-N 3.33Å; I485-S487 PolarHBondContact O-N 3.43Å; S487-S489 PolarHBondContact OG-OG 2.89Å
488	G	91.2	Very high	94.5	Very high	38 Å²	38	41.2 Å²	41.2	39%	0.392	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	8.6	-178.2	0	0	0	0	0	114.8	R484 I485	R484-G488 PolarHBondContact O-N 3.4Å; R484-G488 VanDerWaalsContact O-N 3.11Å; I485-G488 PolarHBondContact O-N 3.22Å; I485-G488 VanDerWaalsContact O-N 3.14Å
489	S	91.1	Very high	94.5	Very high	76 Å²	76	47.7 Å²	47.7	53%	0.531	24%	0.238	S	C	.	.	S	Bend	trans	-72	-31.1	173.1	64.7	0	0	0	0	112.3	R484 S487	R484-S489 WeakPolarHBondContact CA-OG 3.42Å; R484-S489 VanDerWaalsContact CB-OG 3.28Å; R484-S489 WeakPolarHBondContact CB-OG 3.47Å; R484-S489 WeakPolarHBondContact CG-OG 3.5Å; R484-S489 PolarHBondContact O-N 3.33Å; R484-S489 PolarHBondContact O-OG 2.72Å; S487-S489 PolarHBondContact OG-OG 2.89Å
490	E	95.4	Very high	94.3	Very high	41 Å²	41	51.5 Å²	51.5	19%	0.192	26%	0.258	C	S	.	.	S	Bend	trans	-99.6	117.9	164.8	-175.7	169.7	158.3	0	0	108.8	R481 R484 I485 N496	R481-E490 IonicContact CZ-OE1 3.32Å; R481-E490 IonicContact NE-OE1 2.63Å; R481-E490 PolarHBondContact NE-OE1 3.2Å; R481-E490 IonicContact NE-OE2 2.69Å; R481-E490 IonicContact NH2-OE1 3.93Å; R481-E490 PolarHBondContact NH2-OE1 3.49Å; R484-E490 HydrophobicContact CB-CB 3.84Å; R484-E490 IonicContact NE-OE2 3.66Å; R484-E490 PolarHBondContact O-N 3.43Å; I485-E490 HydrophobicContact CG1-CB 4.1Å; I485-E490 HydrophobicContact CG1-CG 4.14Å; E490-N496 PolarHBondContact O-ND2 3.29Å
491	V	97.6	Very high	94.1	Very high	74 Å²	74	58.6 Å²	58.6	45%	0.448	29%	0.293	S	S	.	.			trans	-88.5	129.8	-176.8	175.2	0	0	0	0	110.7	V493 K497	V491-V493 HydrophobicContact CG1-CG2 4.5Å; V491-K497 HydrophobicContact CG1-CB 3.98Å; V491-K497 HydrophobicContact CG1-CD 4.11Å; V491-K497 HydrophobicContact CG2-CD 4.31Å
492	I	97.8	Very high	93.6	Very high	31 Å²	31	64.5 Å²	64.5	16%	0.159	32%	0.321	C	S	.	.			trans	-121.5	107	168.1	-55.1	-178.3	0	0	0	108.1	T365 I485 G494 V495 N496	T365-I492 HydrophobicContact CG2-CG2 3.61Å; I485-I492 HydrophobicContact CD1-CD1 3.89Å; I485-I492 HydrophobicContact CG1-CD1 3.95Å; I485-I492 HydrophobicContact CG2-CD1 3.83Å; I485-I492 HydrophobicContact CG2-CG1 4.49Å; I492-G494 PolarHBondContact O-N 2.94Å; I492-V495 HydrophobicContact CB-CB 4Å; I492-V495 HydrophobicContact CB-CG2 4.43Å; I492-V495 HydrophobicContact CG2-CB 3.69Å; I492-V495 HydrophobicContact CG2-CG2 3.57Å; I492-V495 PolarHBondContact O-N 3.07Å; I492-N496 PolarHBondContact N-OD1 3.21Å; I492-N496 PolarHBondContact O-N 3.32Å; I492-N496 PolarHBondContact O-OD1 3.15Å
493	V	97.9	Very high	93.1	Very high	63 Å²	63	66.4 Å²	66.4	38%	0.382	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-59.6	132.3	179	-179.3	0	0	0	0	110.4	R375 V491 V495 Y498	R375-V493 PolarHBondContact NH2-O 2.78Å; V491-V493 HydrophobicContact CG1-CG2 4.5Å; V493-V495 PolarHBondContact O-N 3.34Å; V493-Y498 HydrophobicContact CG1-CD2 4.36Å; V493-Y498 HydrophobicContact CG2-CD2 4.32Å
494	G	94.6	Very high	92.6	Very high	1 Å²	1	73.5 Å²	73.5	1%	0.01	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	85	-19.8	-174.9	0	0	0	0	0	113.6	I492 K497	I492-G494 PolarHBondContact O-N 2.94Å; G494-K497 PolarHBondContact N-O 3.1Å
495	V	94.6	Very high	91.7	Very high	12 Å²	12	78.2 Å²	78.2	7%	0.073	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-54.2	-173.5	-177.2	0	0	0	0	113.3	T365 Q367 I492 V493 R499	T365-V495 HydrophobicContact CG2-CG2 3.45Å; T365-V495 VanDerWaalsContact CG2-CG2 3.45Å; Q367-V495 HydrophobicContact CB-CG2 4.34Å; I492-V495 HydrophobicContact CB-CB 4Å; I492-V495 HydrophobicContact CB-CG2 4.43Å; I492-V495 HydrophobicContact CG2-CB 3.69Å; I492-V495 HydrophobicContact CG2-CG2 3.57Å; I492-V495 PolarHBondContact O-N 3.07Å; V493-V495 PolarHBondContact O-N 3.34Å; V495-R499 PolarHBondContact O-NE 3.33Å; V495-R499 PolarHBondContact O-NH2 3.12Å
496	N	94.3	Very high	90.9	Very high	38 Å²	38	79 Å²	79	20%	0.203	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-11.8	177.4	70.9	1.9	0	0	0	113.1	I485 E490 I492	I485-N496 PolarHBondContact O-ND2 2.98Å; E490-N496 PolarHBondContact O-ND2 3.29Å; I492-N496 PolarHBondContact N-OD1 3.21Å; I492-N496 PolarHBondContact O-N 3.32Å; I492-N496 PolarHBondContact O-OD1 3.15Å
497	K	95.2	Very high	90.3	Very high	98 Å²	98	86.6 Å²	86.6	43%	0.426	44%	0.436	S	S	.	.	B	Isolated β-bridge	trans	-144.9	146.1	175.6	-157.7	174.9	-177.9	178.7	0	109.8	V491 G494	V491-K497 HydrophobicContact CG1-CB 3.98Å; V491-K497 HydrophobicContact CG1-CD 4.11Å; V491-K497 HydrophobicContact CG2-CD 4.31Å; G494-K497 PolarHBondContact N-O 3.1Å
498	Y	96.5	Very high	89.7	Confident	159 Å²	159	86 Å²	86	62%	0.624	43%	0.431	S	S	*	.	S	Bend	trans	58.5	45.2	-177.2	-43.7	-75	0	0	0	112.7	V493	V493-Y498 HydrophobicContact CG1-CD2 4.36Å; V493-Y498 HydrophobicContact CG2-CD2 4.32Å
499	R	94.1	Very high	89	Confident	138 Å²	138	87.6 Å²	87.6	52%	0.521	43%	0.43	S	S	.	.			trans	-69.3	144.8	176.9	-64.6	179.2	177.7	-168.2	-11.5	110.5	V495	V495-R499 PolarHBondContact O-NE 3.33Å; V495-R499 PolarHBondContact O-NH2 3.12Å
500	L	91.6	Very high	88.1	Confident	80 Å²	80	87.9 Å²	87.9	42%	0.419	44%	0.438	S	S	.	.			trans	-72.9	149.2	167.4	-64	175.6	0	0	0	109.8	D368 K502	D368-L500 HydrophobicContact CB-CD1 4.04Å; L500-K502 VanDerWaalsContact C-N 3.29Å
501	E	89.9	Confident	87.2	Confident	210 Å²	210	87.7 Å²	87.7	98%	0.981	44%	0.437	S	S	*	.	S	Bend	trans	-69.9	-31.9	172.2	-67.6	-176.4	173.1	0	0	111.6
502	K	86.5	Confident	86.5	Confident	182 Å²	182	88.2 Å²	88.2	79%	0.791	44%	0.438	S	S	*	.	S	Bend	trans	-142.7	124.4	177.7	-174.4	-179.9	179.3	-176.5	0	109.3	L500	L500-K502 VanDerWaalsContact C-N 3.29Å
503	E	85.6	Confident	85.8	Confident	71 Å²	71	87.8 Å²	87.8	33%	0.332	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-71.2	143.9	175.5	-63.2	-62.2	151.7	0	0	111.2	D368	D368-E503 PolarHBondContact N-OE2 3.02Å
504	E	80.8	Confident	85.2	Confident	148 Å²	148	88.3 Å²	88.3	69%	0.692	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-79.6	141.9	170.2	-68.7	-170.2	172.4	0	0	110.5	V506	E504-V506 PolarHBondContact O-N 3.16Å
505	T	76.5	Confident	84.8	Confident	137 Å²	137	92.1 Å²	92.1	84%	0.84	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-77.7	123.9	175.1	-48.7	0	0	0	0	110
506	V	78	Confident	84.5	Confident	26 Å²	26	92 Å²	92	16%	0.158	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-102.5	138.5	170.4	-179	0	0	0	0	109	P369 F396 L400 E504 V508	P369-V506 HydrophobicContact CG-CG2 3.61Å; F396-V506 HydrophobicContact CE2-CG1 4.08Å; L400-V506 HydrophobicContact CD1-CB 3.97Å; L400-V506 HydrophobicContact CD1-CG1 4.35Å; E504-V506 PolarHBondContact O-N 3.16Å; V506-V508 PolarHBondContact O-N 3.42Å
507	E	77.3	Confident	84.4	Confident	164 Å²	164	94.1 Å²	94.1	77%	0.766	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-68.7	122	175.2	-169.6	178.7	-173.6	0	0	109.9
508	V	77.8	Confident	84.3	Confident	18 Å²	18	95.5 Å²	95.5	11%	0.109	47%	0.471	C	S	.	.			trans	-110.6	136.2	178.6	-175	0	0	0	0	109	L400 V506 A510	L400-V508 HydrophobicContact CB-CG1 4.48Å; L400-V508 HydrophobicContact CB-CG2 3.7Å; L400-V508 HydrophobicContact CD1-CG2 4.32Å; L400-V508 HydrophobicContact CG-CG2 4.46Å; L400-V508 WeakPolarHBondContact O-CG1 3.22Å; V506-V508 PolarHBondContact O-N 3.42Å; V508-A510 PolarHBondContact O-N 3.29Å; V508-A510 VanDerWaalsContact O-N 3.09Å
509	L	76.1	Confident	84.1	Confident	72 Å²	72	93.7 Å²	93.7	38%	0.377	47%	0.466	S	S	.	.			trans	-64.6	111.7	175.7	-173.4	70	0	0	0	110.3	F117 L402	F117-L509 HydrophobicContact CD1-CD2 3.8Å; F117-L509 HydrophobicContact CE1-CD2 3.89Å; L402-L509 HydrophobicContact CB-CD2 4.18Å; L402-L509 HydrophobicContact CD1-CD2 4.49Å
510	A	72.8	Confident	84.2	Confident	83 Å²	83	87.5 Å²	87.5	69%	0.686	44%	0.443	S	S	*	.			trans	-89.8	126.7	172.5	0	0	0	0	0	110.2	V508	V508-A510 PolarHBondContact O-N 3.29Å; V508-A510 VanDerWaalsContact O-N 3.09Å
511	I	76.7	Confident	84.4	Confident	37 Å²	37	86.4 Å²	86.4	19%	0.19	44%	0.437	C	S	.	.			trans	-101.8	125.6	178.2	-62.5	164.8	0	0	0	109.1	S118 M163 L402 N513	S118-I511 WeakPolarHBondContact OG-CD1 3.34Å; S118-I511 WeakPolarHBondContact OG-CG1 3.4Å; S118-I511 WeakPolarHBondContact OG-CG2 3.48Å; M163-I511 HydrophobicContact CE-CB 4.23Å; M163-I511 WeakPolarHBondContact O-CD1 3.39Å; M163-I511 HydrophobicContact SD-CB 4.09Å; M163-I511 HydrophobicContact SD-CG2 3.77Å; L402-I511 HydrophobicContact CD1-CD1 3.64Å; I511-N513 PolarHBondContact O-N 3.25Å
512	D	81.1	Confident	84.7	Confident	85 Å²	85	79.8 Å²	79.8	46%	0.455	41%	0.406	S	S	.	.			trans	-85.8	94.6	168.4	-171.9	-22.1	0	0	0	110.2	T514 I515 V516	D512-T514 PolarHBondContact O-N 3.29Å; D512-T514 VanDerWaalsContact OD1-CB 3.28Å; D512-T514 WeakPolarHBondContact OD1-CB 3.23Å; D512-T514 PolarHBondContact OD1-N 2.92Å; D512-I515 HydrophobicContact CB-CD1 4.2Å; D512-I515 HydrophobicContact CB-CG1 4.43Å; D512-I515 PolarHBondContact O-N 2.91Å; D512-I515 PolarHBondContact OD1-N 2.94Å; D512-I515 WeakPolarHBondContact OD2-CD1 3.39Å; D512-V516 WeakPolarHBondContact O-CG2 3.27Å; D512-V516 PolarHBondContact O-N 3.15Å
513	N	83.9	Confident	85.1	Confident	21 Å²	21	73.2 Å²	73.2	11%	0.112	38%	0.378	C	S	.	.	H	α-helix	trans	-61	-25.1	179.3	72.5	-8.5	0	0	0	113.4	M163 I511 R517 T689	M163-N513 HydrophobicContact CG-CB 4.32Å; M163-N513 HydrophobicContact SD-CB 3.53Å; M163-N513 VanDerWaalsContact SD-CB 3.53Å; I511-N513 PolarHBondContact O-N 3.25Å; N513-R517 WeakPolarHBondContact O-CB 3.19Å; N513-R517 PolarHBondContact O-N 2.76Å; N513-T689 PolarHBondContact ND2-OG1 3.26Å
514	T	85.5	Confident	85.6	Confident	75 Å²	75	70 Å²	70	46%	0.46	36%	0.363	S	S	.	.	H	α-helix	trans	-71.3	-44.3	-174.8	-63.1	0	0	0	0	109.7	D512 Q518	D512-T514 PolarHBondContact O-N 3.29Å; D512-T514 VanDerWaalsContact OD1-CB 3.28Å; D512-T514 WeakPolarHBondContact OD1-CB 3.23Å; D512-T514 PolarHBondContact OD1-N 2.92Å; T514-Q518 WeakPolarHBondContact O-CB 3.29Å; T514-Q518 VanDerWaalsContact O-CG 3.25Å; T514-Q518 WeakPolarHBondContact O-CG 3.09Å; T514-Q518 PolarHBondContact O-N 2.92Å
515	I	86.3	Confident	86.4	Confident	80 Å²	80	67.9 Å²	67.9	41%	0.41	35%	0.349	S	S	.	.	H	α-helix	trans	-65.6	-45.6	177.1	-63.4	174.6	0	0	0	110.6	D512 Q518 K519	D512-I515 HydrophobicContact CB-CD1 4.2Å; D512-I515 HydrophobicContact CB-CG1 4.43Å; D512-I515 PolarHBondContact O-N 2.91Å; D512-I515 PolarHBondContact OD1-N 2.94Å; D512-I515 WeakPolarHBondContact OD2-CD1 3.39Å; I515-Q518 PolarHBondContact O-N 3.19Å; I515-K519 HydrophobicContact CG2-CD 4.18Å; I515-K519 WeakPolarHBondContact O-CG 3.25Å; I515-K519 PolarHBondContact O-N 3.06Å; I515-K519 VanDerWaalsContact O-N 3.08Å
516	V	88.3	Confident	87.4	Confident	11 Å²	11	66.8 Å²	66.8	7%	0.067	33%	0.332	C	S	.	.	H	α-helix	trans	-61	-50.9	-179	179.2	0	0	0	0	110	T119 V161 D512 Q518 K519 Q520	T119-V516 HydrophobicContact CG2-CG1 4.31Å; T119-V516 HydrophobicContact CG2-CG2 3.95Å; V161-V516 HydrophobicContact CG1-CG1 4.41Å; D512-V516 WeakPolarHBondContact O-CG2 3.27Å; D512-V516 PolarHBondContact O-N 3.15Å; V516-Q518 PolarHBondContact O-N 3.22Å; V516-K519 PolarHBondContact O-N 3.24Å; V516-Q520 VanDerWaalsContact O-CB 3.29Å; V516-Q520 WeakPolarHBondContact O-CB 3.25Å; V516-Q520 PolarHBondContact O-N 3.15Å
517	R	91.4	Very high	88.4	Confident	81 Å²	81	66.2 Å²	66.2	31%	0.306	33%	0.329	S	S	.	.	H	α-helix	trans	-59.1	-46.3	178.6	-179.2	178.2	166.7	-133	-4	112.6	V161 N513 K519 Q520 I521	V161-R517 HydrophobicContact CB-CB 4.22Å; V161-R517 HydrophobicContact CB-CG 4.5Å; V161-R517 HydrophobicContact CG1-CB 4.23Å; V161-R517 HydrophobicContact CG2-CG 4.32Å; N513-R517 WeakPolarHBondContact O-CB 3.19Å; N513-R517 PolarHBondContact O-N 2.76Å; R517-K519 PolarHBondContact O-N 3.29Å; R517-Q520 PolarHBondContact O-N 2.77Å; R517-I521 HydrophobicContact CG-CD1 3.75Å; R517-I521 HydrophobicContact CG-CG1 4.32Å; R517-I521 VanDerWaalsContact O-CG1 3.27Å; R517-I521 WeakPolarHBondContact O-CG1 3.37Å; R517-I521 PolarHBondContact O-N 3.13Å
518	Q	92.8	Very high	89.2	Confident	128 Å²	128	61.6 Å²	61.6	60%	0.598	31%	0.306	S	S	*	.	H	α-helix	trans	-61.4	-44.6	179.7	-76.9	177	-0.2	0	0	112.3	T514 I515 V516 Q520 E522	T514-Q518 WeakPolarHBondContact O-CB 3.29Å; T514-Q518 VanDerWaalsContact O-CG 3.25Å; T514-Q518 WeakPolarHBondContact O-CG 3.09Å; T514-Q518 PolarHBondContact O-N 2.92Å; I515-Q518 PolarHBondContact O-N 3.19Å; V516-Q518 PolarHBondContact O-N 3.22Å; Q518-Q520 VanDerWaalsContact C-N 3.28Å; Q518-Q520 PolarHBondContact O-N 3.48Å; Q518-E522 WeakPolarHBondContact O-CB 3.23Å; Q518-E522 PolarHBondContact O-N 3.3Å; Q518-E522 VanDerWaalsContact O-N 3.1Å
519	K	93.4	Very high	90.1	Very high	120 Å²	120	66.6 Å²	66.6	52%	0.522	33%	0.328	S	S	.	.	H	α-helix	trans	-60.4	-41.9	175.7	-74.7	178.1	179	177.5	0	111.3	I515 V516 R517 E522 K523	I515-K519 HydrophobicContact CG2-CD 4.18Å; I515-K519 WeakPolarHBondContact O-CG 3.25Å; I515-K519 PolarHBondContact O-N 3.06Å; I515-K519 VanDerWaalsContact O-N 3.08Å; V516-K519 PolarHBondContact O-N 3.24Å; R517-K519 PolarHBondContact O-N 3.29Å; K519-E522 PolarHBondContact O-N 2.83Å; K519-K523 WeakPolarHBondContact O-CG 3.49Å; K519-K523 PolarHBondContact O-N 3Å
520	Q	94.9	Very high	91.1	Very high	9 Å²	9	68 Å²	68	4%	0.042	34%	0.344	C	S	.	.	H	α-helix	trans	-71.3	-41.4	-175.3	-159.2	52.9	39.7	0	0	112	S152 A167 D169 D173 V516 R517 Q518 E522 K523 L524	S152-Q520 WeakPolarHBondContact OG-CG 3.49Å; A167-Q520 HydrophobicContact CB-CG 4.13Å; D169-Q520 WeakPolarHBondContact OD2-CG 3.17Å; D169-Q520 PolarHBondContact OD2-NE2 2.82Å; D173-Q520 PolarHBondContact OD1-NE2 3.37Å; D173-Q520 PolarHBondContact OD2-NE2 3.24Å; V516-Q520 VanDerWaalsContact O-CB 3.29Å; V516-Q520 WeakPolarHBondContact O-CB 3.25Å; V516-Q520 PolarHBondContact O-N 3.15Å; R517-Q520 PolarHBondContact O-N 2.77Å; Q518-Q520 VanDerWaalsContact C-N 3.28Å; Q518-Q520 PolarHBondContact O-N 3.48Å; Q520-E522 VanDerWaalsContact C-N 3.32Å; Q520-E522 PolarHBondContact O-N 3.26Å; Q520-K523 PolarHBondContact O-N 3.07Å; Q520-L524 WeakPolarHBondContact O-CB 3.38Å; Q520-L524 PolarHBondContact O-N 2.62Å
521	I	96	Very high	92.2	Very high	56 Å²	56	66.1 Å²	66.1	29%	0.287	32%	0.319	S	S	.	.	H	α-helix	trans	-58.6	-43.7	171	-68.6	171.3	0	0	0	111.2	D153 R517 L524 R525	D153-I521 HydrophobicContact CB-CG1 4Å; R517-I521 HydrophobicContact CG-CD1 3.75Å; R517-I521 HydrophobicContact CG-CG1 4.32Å; R517-I521 VanDerWaalsContact O-CG1 3.27Å; R517-I521 WeakPolarHBondContact O-CG1 3.37Å; R517-I521 PolarHBondContact O-N 3.13Å; I521-L524 PolarHBondContact O-N 3.47Å; I521-R525 WeakPolarHBondContact O-CB 3.37Å; I521-R525 PolarHBondContact O-N 3.04Å
522	E	96.4	Very high	93.2	Very high	71 Å²	71	68.5 Å²	68.5	33%	0.332	33%	0.332	S	S	.	.	H	α-helix	trans	-67.3	-37.9	179.4	178.6	59.3	-167.6	0	0	112.3	Q518 K519 Q520 R525 K526	Q518-E522 WeakPolarHBondContact O-CB 3.23Å; Q518-E522 PolarHBondContact O-N 3.3Å; Q518-E522 VanDerWaalsContact O-N 3.1Å; K519-E522 PolarHBondContact O-N 2.83Å; Q520-E522 VanDerWaalsContact C-N 3.32Å; Q520-E522 PolarHBondContact O-N 3.26Å; E522-R525 VanDerWaalsContact CD-NH2 3.34Å; E522-R525 IonicContact OE1-CZ 3.71Å; E522-R525 IonicContact OE1-NE 3.36Å; E522-R525 IonicContact OE1-NH2 3.93Å; E522-R525 PolarHBondContact OE1-NH2 2.8Å; E522-R525 IonicContact OE2-CZ 2.55Å; E522-R525 IonicContact OE2-NE 3.47Å; E522-R525 PolarHBondContact OE2-NE 3.15Å; E522-R525 IonicContact OE2-NH2 3.02Å; E522-R525 PolarHBondContact OE2-NH2 3.34Å; E522-K526 WeakPolarHBondContact O-CG 3.43Å; E522-K526 PolarHBondContact O-N 2.77Å; E522-K526 VanDerWaalsContact O-N 3.13Å; E522-K526 WeakPolarHBondContact OE1-CE 3.47Å; E522-K526 IonicContact OE1-NZ 3.3Å
523	K	95.8	Very high	94	Very high	45 Å²	45	68.5 Å²	68.5	20%	0.196	34%	0.336	C	S	.	.	H	α-helix	trans	-60.3	-50.6	171.4	-74.9	177.5	-179.3	-178.4	0	110.6	E121 K519 Q520 R525 K526 V527	E121-K523 IonicContact OE1-NZ 2.78Å; E121-K523 PolarHBondContact OE1-NZ 2.93Å; E121-K523 IonicContact OE2-NZ 2.8Å; K519-K523 WeakPolarHBondContact O-CG 3.49Å; K519-K523 PolarHBondContact O-N 3Å; Q520-K523 PolarHBondContact O-N 3.07Å; K523-R525 VanDerWaalsContact C-N 3.31Å; K523-R525 PolarHBondContact O-N 3.41Å; K523-K526 PolarHBondContact O-N 3.06Å; K523-V527 WeakPolarHBondContact O-CG2 3.1Å; K523-V527 PolarHBondContact O-N 3.42Å
524	L	96.7	Very high	94.6	Very high	2 Å²	2	73.5 Å²	73.5	1%	0.01	36%	0.359	C	S	.	.	H	α-helix	trans	-59.4	-42	-179.8	-175	59.4	0	0	0	112	D151 D153 D169 T170 Q520 I521 V527 K528	D151-L524 HydrophobicContact CB-CD2 3.83Å; D153-L524 HydrophobicContact CB-CD2 4.2Å; D153-L524 WeakPolarHBondContact OD2-CD2 3.43Å; D169-L524 HydrophobicContact CB-CD1 4.02Å; T170-L524 HydrophobicContact CG2-CD1 3.76Å; Q520-L524 WeakPolarHBondContact O-CB 3.38Å; Q520-L524 PolarHBondContact O-N 2.62Å; I521-L524 PolarHBondContact O-N 3.47Å; L524-V527 PolarHBondContact O-N 2.97Å; L524-K528 HydrophobicContact CD1-CD 4.34Å; L524-K528 HydrophobicContact CD1-CG 4.43Å; L524-K528 HydrophobicContact CG-CD 4.16Å; L524-K528 WeakPolarHBondContact O-CB 3.42Å; L524-K528 WeakPolarHBondContact O-CG 3.5Å; L524-K528 PolarHBondContact O-N 3.35Å
525	R	97.4	Very high	95.2	Very high	105 Å²	105	73.1 Å²	73.1	40%	0.396	36%	0.357	S	S	.	.	H	α-helix	trans	-58.1	-49.4	174.9	-171.5	-175.9	69.8	79.2	3.7	111.5	I521 E522 K523 V527 K528 E529	I521-R525 WeakPolarHBondContact O-CB 3.37Å; I521-R525 PolarHBondContact O-N 3.04Å; E522-R525 VanDerWaalsContact CD-NH2 3.34Å; E522-R525 IonicContact OE1-CZ 3.71Å; E522-R525 IonicContact OE1-NE 3.36Å; E522-R525 IonicContact OE1-NH2 3.93Å; E522-R525 PolarHBondContact OE1-NH2 2.8Å; E522-R525 IonicContact OE2-CZ 2.55Å; E522-R525 IonicContact OE2-NE 3.47Å; E522-R525 PolarHBondContact OE2-NE 3.15Å; E522-R525 IonicContact OE2-NH2 3.02Å; E522-R525 PolarHBondContact OE2-NH2 3.34Å; K523-R525 VanDerWaalsContact C-N 3.31Å; K523-R525 PolarHBondContact O-N 3.41Å; R525-V527 VanDerWaalsContact C-N 3.34Å; R525-V527 PolarHBondContact O-N 2.99Å; R525-K528 PolarHBondContact O-N 2.98Å; R525-E529 WeakPolarHBondContact CG-OE1 3.43Å; R525-E529 IonicContact CZ-OE1 3.79Å; R525-E529 IonicContact CZ-OE2 3.97Å; R525-E529 IonicContact NH1-OE1 3.52Å; R525-E529 PolarHBondContact NH1-OE1 2.83Å; R525-E529 IonicContact NH1-OE2 3.03Å; R525-E529 PolarHBondContact NH1-OE2 2.96Å; R525-E529 WeakPolarHBondContact O-CB 3.43Å; R525-E529 WeakPolarHBondContact O-CG 3.42Å; R525-E529 PolarHBondContact O-N 3.37Å
526	K	97.5	Very high	95.7	Very high	114 Å²	114	69.3 Å²	69.3	50%	0.496	34%	0.337	S	S	.	.	H	α-helix	trans	-61.8	-40.2	178.3	-70.7	178.1	-170.6	177.2	0	112.6	E522 K523 E529 S530	E522-K526 WeakPolarHBondContact O-CG 3.43Å; E522-K526 PolarHBondContact O-N 2.77Å; E522-K526 VanDerWaalsContact O-N 3.13Å; E522-K526 WeakPolarHBondContact OE1-CE 3.47Å; E522-K526 IonicContact OE1-NZ 3.3Å; K523-K526 PolarHBondContact O-N 3.06Å; K526-E529 PolarHBondContact O-N 3.37Å; K526-S530 WeakPolarHBondContact O-CB 3.41Å; K526-S530 PolarHBondContact O-N 3.39Å; K526-S530 PolarHBondContact O-OG 2.98Å
527	V	97.2	Very high	96.2	Very high	14 Å²	14	75.3 Å²	75.3	9%	0.085	36%	0.362	C	S	.	.	H	α-helix	trans	-65.5	-44.9	177.3	175	0	0	0	0	110.6	T170 E172 K523 L524 R525 E529 S530 R531 R565	T170-V527 HydrophobicContact CG2-CB 4.47Å; T170-V527 HydrophobicContact CG2-CG1 4.03Å; E172-V527 HydrophobicContact CB-CG2 4.37Å; E172-V527 HydrophobicContact CG-CG2 3.98Å; K523-V527 WeakPolarHBondContact O-CG2 3.1Å; K523-V527 PolarHBondContact O-N 3.42Å; L524-V527 PolarHBondContact O-N 2.97Å; R525-V527 VanDerWaalsContact C-N 3.34Å; R525-V527 PolarHBondContact O-N 2.99Å; V527-E529 VanDerWaalsContact C-N 3.32Å; V527-E529 PolarHBondContact O-N 3.23Å; V527-S530 PolarHBondContact O-N 2.94Å; V527-S530 PolarHBondContact O-OG 3.03Å; V527-R531 WeakPolarHBondContact O-CB 3.28Å; V527-R531 WeakPolarHBondContact O-CG 3.22Å; V527-R531 PolarHBondContact O-N 2.97Å; V527-R531 VanDerWaalsContact O-N 3.1Å; V527-R565 HydrophobicContact CG1-CB 3.71Å; V527-R565 HydrophobicContact CG1-CG 3.91Å
528	K	95.7	Very high	96.5	Very high	66 Å²	66	79.2 Å²	79.2	29%	0.287	38%	0.382	S	S	.	.	H	α-helix	trans	-63.8	-34.2	177.2	-73	177	178.1	171.4	0	112.6	D151 D153 L524 R525	D151-K528 IonicContact OD2-NZ 2.8Å; D153-K528 IonicContact OD2-NZ 2.9Å; D153-K528 PolarHBondContact OD2-NZ 3.43Å; L524-K528 HydrophobicContact CD1-CD 4.34Å; L524-K528 HydrophobicContact CD1-CG 4.43Å; L524-K528 HydrophobicContact CG-CD 4.16Å; L524-K528 WeakPolarHBondContact O-CB 3.42Å; L524-K528 WeakPolarHBondContact O-CG 3.5Å; L524-K528 PolarHBondContact O-N 3.35Å; R525-K528 PolarHBondContact O-N 2.98Å
529	E	96.8	Very high	96.8	Very high	124 Å²	124	74.1 Å²	74.1	58%	0.579	36%	0.36	S	S	*	.	H	α-helix	trans	-75.6	-30.6	177.6	-76.4	172	-175.7	0	0	114	R525 K526 V527	R525-E529 WeakPolarHBondContact CG-OE1 3.43Å; R525-E529 IonicContact CZ-OE1 3.79Å; R525-E529 IonicContact CZ-OE2 3.97Å; R525-E529 IonicContact NH1-OE1 3.52Å; R525-E529 PolarHBondContact NH1-OE1 2.83Å; R525-E529 IonicContact NH1-OE2 3.03Å; R525-E529 PolarHBondContact NH1-OE2 2.96Å; R525-E529 WeakPolarHBondContact O-CB 3.43Å; R525-E529 WeakPolarHBondContact O-CG 3.42Å; R525-E529 PolarHBondContact O-N 3.37Å; K526-E529 PolarHBondContact O-N 3.37Å; V527-E529 VanDerWaalsContact C-N 3.32Å; V527-E529 PolarHBondContact O-N 3.23Å
530	S	95.8	Very high	97	Very high	100 Å²	100	69.9 Å²	69.9	70%	0.699	34%	0.343	S	S	*	.	H	α-helix	trans	-96.2	-18.6	-173.9	56.9	0	0	0	0	114.7	K526 V527	K526-S530 WeakPolarHBondContact O-CB 3.41Å; K526-S530 PolarHBondContact O-N 3.39Å; K526-S530 PolarHBondContact O-OG 2.98Å; V527-S530 PolarHBondContact O-N 2.94Å; V527-S530 PolarHBondContact O-OG 3.03Å
531	R	97.3	Very high	97.2	Very high	45 Å²	45	72 Å²	72	17%	0.17	36%	0.362	C	S	.	.	S	Bend	trans	-75.8	162.8	178.2	73.6	-177.7	-175.8	-176.3	3.6	112.4	V527 P533 R565 E570	V527-R531 WeakPolarHBondContact O-CB 3.28Å; V527-R531 WeakPolarHBondContact O-CG 3.22Å; V527-R531 PolarHBondContact O-N 2.97Å; V527-R531 VanDerWaalsContact O-N 3.1Å; R531-P533 VanDerWaalsContact O-CD 3.29Å; R531-P533 WeakPolarHBondContact O-CD 3.45Å; R531-R565 HydrophobicContact CB-CB 3.97Å; R531-R565 WeakPolarHBondContact CD-O 3.38Å; R531-R565 PolarHBondContact NH1-O 3.21Å; R531-E570 IonicContact CZ-OE1 2.78Å; R531-E570 IonicContact CZ-OE2 2.9Å; R531-E570 IonicContact NH1-OE1 2.63Å; R531-E570 PolarHBondContact NH1-OE1 3.23Å; R531-E570 IonicContact NH1-OE2 3.73Å; R531-E570 PolarHBondContact NH1-OE2 3.25Å; R531-E570 IonicContact NH2-OE1 3.89Å; R531-E570 PolarHBondContact NH2-OE1 3.1Å; R531-E570 IonicContact NH2-OE2 2.78Å; R531-E570 PolarHBondContact NH2-OE2 2.75Å
532	D	97.7	Very high	97.3	Very high	87 Å²	87	71.2 Å²	71.2	47%	0.465	36%	0.364	S	S	.	.			trans	-76.8	112.7	168.2	-174.4	-35.9	0	0	0	110.2	E534 V535 A536	D532-E534 PolarHBondContact O-N 3.11Å; D532-E534 PolarHBondContact OD1-N 3.44Å; D532-V535 HydrophobicContact CB-CB 4.09Å; D532-V535 HydrophobicContact CB-CG2 4.04Å; D532-V535 PolarHBondContact OD1-N 2.67Å; D532-V535 VanDerWaalsContact OD1-N 3.1Å; D532-V535 WeakPolarHBondContact OD2-CG2 3.38Å; D532-A536 WeakPolarHBondContact O-CB 3.28Å; D532-A536 PolarHBondContact O-N 2.81Å; D532-A536 VanDerWaalsContact O-N 3.16Å
533	P	96.2	Very high	97.4	Very high	84 Å²	84	67.9 Å²	67.9	55%	0.545	35%	0.348	S	S	.	.	H	α-helix	trans	-70.2	-29.9	-176.1	29	-34.8	0	0	0	113.2	R531 K537	R531-P533 VanDerWaalsContact O-CD 3.29Å; R531-P533 WeakPolarHBondContact O-CD 3.45Å; P533-K537 VanDerWaalsContact O-CB 3.3Å; P533-K537 WeakPolarHBondContact O-CB 3.27Å; P533-K537 PolarHBondContact O-N 3.22Å
534	E	97.6	Very high	97.5	Very high	126 Å²	126	67.7 Å²	67.7	59%	0.589	35%	0.348	S	S	*	.	H	α-helix	trans	-76.2	-38.7	-178.1	-68.7	-56.5	131	0	0	111	D532 K537 K538	D532-E534 PolarHBondContact O-N 3.11Å; D532-E534 PolarHBondContact OD1-N 3.44Å; E534-K537 PolarHBondContact O-N 3.32Å; E534-K538 WeakPolarHBondContact O-CB 3.27Å; E534-K538 PolarHBondContact O-N 3.08Å
535	V	97.8	Very high	97.5	Very high	67 Å²	67	71.7 Å²	71.7	41%	0.406	37%	0.367	S	S	.	.	H	α-helix	trans	-63.9	-47.1	172.7	177.6	0	0	0	0	110.5	D532 K537 K538 C539 A564	D532-V535 HydrophobicContact CB-CB 4.09Å; D532-V535 HydrophobicContact CB-CG2 4.04Å; D532-V535 PolarHBondContact OD1-N 2.67Å; D532-V535 VanDerWaalsContact OD1-N 3.1Å; D532-V535 WeakPolarHBondContact OD2-CG2 3.38Å; V535-K537 VanDerWaalsContact C-N 3.35Å; V535-K537 PolarHBondContact O-N 3.18Å; V535-K538 PolarHBondContact O-N 3.15Å; V535-C539 PolarHBondContact O-N 2.88Å; V535-C539 PolarHBondContact O-SG 3.47Å; V535-C539 VanDerWaalsContact O-SG 3.4Å; V535-A564 HydrophobicContact CG1-CB 3.86Å
536	A	97.9	Very high	97.5	Very high	1 Å²	1	66.9 Å²	66.9	1%	0.008	35%	0.349	C	S	.	.	H	α-helix	trans	-56.7	-48.7	177	0	0	0	0	0	111.4	D532 K538 C539 L540	D532-A536 WeakPolarHBondContact O-CB 3.28Å; D532-A536 PolarHBondContact O-N 2.81Å; D532-A536 VanDerWaalsContact O-N 3.16Å; A536-K538 VanDerWaalsContact C-N 3.33Å; A536-K538 PolarHBondContact O-N 3.47Å; A536-C539 PolarHBondContact O-N 2.91Å; A536-L540 WeakPolarHBondContact O-CG 3.47Å; A536-L540 PolarHBondContact O-N 3Å
537	K	98	Very high	97.5	Very high	136 Å²	136	61.5 Å²	61.5	59%	0.591	33%	0.326	S	S	*	.	H	α-helix	trans	-59.5	-41.1	178	-174.8	179.4	177.8	-174.8	0	112.6	P533 E534 V535 L540 A541	P533-K537 VanDerWaalsContact O-CB 3.3Å; P533-K537 WeakPolarHBondContact O-CB 3.27Å; P533-K537 PolarHBondContact O-N 3.22Å; E534-K537 PolarHBondContact O-N 3.32Å; V535-K537 VanDerWaalsContact C-N 3.35Å; V535-K537 PolarHBondContact O-N 3.18Å; K537-L540 PolarHBondContact O-N 3.17Å; K537-A541 WeakPolarHBondContact O-CB 3.39Å; K537-A541 PolarHBondContact O-N 3.36Å
538	K	98.3	Very high	97.4	Very high	164 Å²	164	67.2 Å²	67.2	71%	0.713	35%	0.346	S	S	*	.	H	α-helix	trans	-64.2	-43.6	177.1	-174.7	-179.8	177.7	-177.1	0	111.9	E534 V535 A536 A541 A542	E534-K538 WeakPolarHBondContact O-CB 3.27Å; E534-K538 PolarHBondContact O-N 3.08Å; V535-K538 PolarHBondContact O-N 3.15Å; A536-K538 VanDerWaalsContact C-N 3.33Å; A536-K538 PolarHBondContact O-N 3.47Å; K538-A541 PolarHBondContact O-N 3.23Å; K538-A542 PolarHBondContact O-N 3.14Å
539	C	98.3	Very high	97.4	Very high	21 Å²	21	66.6 Å²	66.6	14%	0.142	35%	0.348	C	S	.	.	H	α-helix	trans	-62.5	-45.1	176.8	-68.8	0	0	0	0	111.7	V535 A536 A541 A542 I543 A561	V535-C539 PolarHBondContact O-N 2.88Å; V535-C539 PolarHBondContact O-SG 3.47Å; V535-C539 VanDerWaalsContact O-SG 3.4Å; A536-C539 PolarHBondContact O-N 2.91Å; C539-A541 PolarHBondContact O-N 3.14Å; C539-A542 WeakPolarHBondContact O-CB 3.17Å; C539-A542 PolarHBondContact O-N 3.02Å; C539-I543 PolarHBondContact O-N 3.39Å; C539-I543 VanDerWaalsContact O-N 3.09Å; C539-A561 HydrophobicContact CB-CB 3.92Å
540	L	98.4	Very high	97.1	Very high	31 Å²	31	65.1 Å²	65.1	16%	0.162	34%	0.337	C	S	.	.	H	α-helix	trans	-64.4	-39.6	178.1	-64.8	173.4	0	0	0	112.3	A536 K537 A542 I543 E544 C566 E570 I571 A574	A536-L540 WeakPolarHBondContact O-CG 3.47Å; A536-L540 PolarHBondContact O-N 3Å; K537-L540 PolarHBondContact O-N 3.17Å; L540-A542 VanDerWaalsContact C-N 3.32Å; L540-A542 PolarHBondContact O-N 2.92Å; L540-I543 PolarHBondContact O-N 3.21Å; L540-E544 PolarHBondContact O-N 3.27Å; L540-C566 HydrophobicContact CD2-CB 4.09Å; L540-E570 HydrophobicContact CD1-CB 3.93Å; L540-E570 HydrophobicContact CD1-CG 4.4Å; L540-E570 HydrophobicContact CD2-CB 3.95Å; L540-I571 HydrophobicContact CD2-CG1 4.16Å; L540-A574 HydrophobicContact CB-CB 4.45Å; L540-A574 HydrophobicContact CD2-CB 4.29Å
541	A	98.3	Very high	97	Very high	54 Å²	54	67.7 Å²	67.7	45%	0.446	34%	0.338	S	S	.	.	H	α-helix	trans	-63.8	-36.8	174.7	0	0	0	0	0	112.3	K537 K538 C539 E544 E545	K537-A541 WeakPolarHBondContact O-CB 3.39Å; K537-A541 PolarHBondContact O-N 3.36Å; K538-A541 PolarHBondContact O-N 3.23Å; C539-A541 PolarHBondContact O-N 3.14Å; A541-E544 PolarHBondContact O-N 3.42Å; A541-E545 PolarHBondContact O-N 3.45Å
542	A	98.3	Very high	96.8	Very high	39 Å²	39	68.5 Å²	68.5	32%	0.322	36%	0.36	S	S	.	.	H	α-helix	trans	-66.6	-38	175.3	0	0	0	0	0	112.3	K538 C539 L540 E545 C546 L557	K538-A542 PolarHBondContact O-N 3.14Å; C539-A542 WeakPolarHBondContact O-CB 3.17Å; C539-A542 PolarHBondContact O-N 3.02Å; L540-A542 VanDerWaalsContact C-N 3.32Å; L540-A542 PolarHBondContact O-N 2.92Å; A542-E545 PolarHBondContact O-N 3.39Å; A542-C546 VanDerWaalsContact O-CB 3.32Å; A542-C546 WeakPolarHBondContact O-CB 3.41Å; A542-C546 PolarHBondContact O-N 3.43Å; A542-L557 HydrophobicContact CB-CD2 4.21Å
543	I	98.3	Very high	96.7	Very high	1 Å²	1	65.7 Å²	65.7	1%	0.005	35%	0.345	C	S	.	.	H	α-helix	trans	-63.5	-46.5	173.6	-67.7	171.5	0	0	0	110.4	C539 L540 E545 C546 S547 L554 L557 A561 I571 A574 M575	C539-I543 PolarHBondContact O-N 3.39Å; C539-I543 VanDerWaalsContact O-N 3.09Å; L540-I543 PolarHBondContact O-N 3.21Å; I543-E545 VanDerWaalsContact C-N 3.31Å; I543-E545 PolarHBondContact O-N 3.47Å; I543-C546 PolarHBondContact O-N 2.75Å; I543-S547 WeakPolarHBondContact O-CB 3.38Å; I543-S547 PolarHBondContact O-N 3.04Å; I543-S547 PolarHBondContact O-OG 3.41Å; I543-L554 HydrophobicContact CG2-CD2 4.44Å; I543-L557 HydrophobicContact CG1-CB 3.79Å; I543-A561 HydrophobicContact CD1-CB 3.78Å; I543-I571 HydrophobicContact CD1-CG1 4.32Å; I543-I571 HydrophobicContact CD1-CG2 4.14Å; I543-A574 HydrophobicContact CB-CB 4.26Å; I543-A574 HydrophobicContact CG2-CB 3.99Å; I543-M575 HydrophobicContact CG2-CG 3.6Å
544	E	98.1	Very high	96.7	Very high	40 Å²	40	61.7 Å²	61.7	19%	0.187	32%	0.319	C	S	.	.	H	α-helix	trans	-58.9	-42.8	177.5	-170.3	-174.7	139.4	0	0	111.6	L540 A541 S547 R548 K577 V578	L540-E544 PolarHBondContact O-N 3.27Å; A541-E544 PolarHBondContact O-N 3.42Å; E544-S547 WeakPolarHBondContact O-CB 3.32Å; E544-S547 PolarHBondContact O-N 3.31Å; E544-R548 PolarHBondContact O-N 2.84Å; E544-R548 VanDerWaalsContact O-N 3.11Å; E544-R548 IonicContact OE1-NH2 3.94Å; E544-R548 PolarHBondContact OE1-NH2 2.9Å; E544-K577 HydrophobicContact CG-CB 4.45Å; E544-K577 HydrophobicContact CG-CD 4.29Å; E544-K577 WeakPolarHBondContact OE2-CD 3.5Å; E544-K577 IonicContact OE2-NZ 3.29Å; E544-K577 PolarHBondContact OE2-NZ 3.41Å; E544-V578 HydrophobicContact CG-CG2 4.07Å
545	E	97.9	Very high	96.8	Very high	86 Å²	86	55.7 Å²	55.7	40%	0.402	29%	0.291	S	S	.	.	H	α-helix	trans	-68.6	-40.9	177.8	-172.6	61	-169.1	0	0	112.5	A541 A542 I543 S547 R548 T549	A541-E545 PolarHBondContact O-N 3.45Å; A542-E545 PolarHBondContact O-N 3.39Å; I543-E545 VanDerWaalsContact C-N 3.31Å; I543-E545 PolarHBondContact O-N 3.47Å; E545-S547 VanDerWaalsContact C-N 3.3Å; E545-S547 PolarHBondContact O-N 2.99Å; E545-R548 PolarHBondContact O-N 3.29Å; E545-R548 VanDerWaalsContact O-N 3.13Å; E545-R548 IonicContact OE2-CZ 3.6Å; E545-R548 IonicContact OE2-NH1 2.85Å; E545-R548 PolarHBondContact OE2-NH1 3.29Å; E545-T549 HydrophobicContact CG-CG2 4.18Å; E545-T549 WeakPolarHBondContact O-CG2 3.47Å; E545-T549 PolarHBondContact O-N 3.19Å; E545-T549 PolarHBondContact O-OG1 3.2Å; E545-T549 WeakPolarHBondContact OE1-CG2 3.32Å
546	C	97.4	Very high	96.8	Very high	4 Å²	4	54.1 Å²	54.1	3%	0.027	29%	0.285	C	S	.	.	H	α-helix	trans	-61.7	-39.3	173.5	-176.5	0	0	0	0	111.4	A542 I543 R548 R550 E551 L554 L557	A542-C546 VanDerWaalsContact O-CB 3.32Å; A542-C546 WeakPolarHBondContact O-CB 3.41Å; A542-C546 PolarHBondContact O-N 3.43Å; I543-C546 PolarHBondContact O-N 2.75Å; C546-R548 VanDerWaalsContact C-N 3.28Å; C546-R548 PolarHBondContact O-N 2.76Å; C546-R550 VanDerWaalsContact O-CA 3.24Å; C546-R550 WeakPolarHBondContact O-CA 3.06Å; C546-R550 PolarHBondContact O-N 3.13Å; C546-E551 PolarHBondContact SG-O 3.04Å; C546-E551 VanDerWaalsContact SG-O 3.38Å; C546-L554 HydrophobicContact CB-CD2 4.17Å; C546-L557 HydrophobicContact CB-CD1 3.34Å
547	S	96.3	Very high	96.8	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.007	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-37.2	173.9	-73.6	0	0	0	0	112.1	I543 E544 E545 F579	I543-S547 WeakPolarHBondContact O-CB 3.38Å; I543-S547 PolarHBondContact O-N 3.04Å; I543-S547 PolarHBondContact O-OG 3.41Å; E544-S547 WeakPolarHBondContact O-CB 3.32Å; E544-S547 PolarHBondContact O-N 3.31Å; E545-S547 VanDerWaalsContact C-N 3.3Å; E545-S547 PolarHBondContact O-N 2.99Å; S547-F579 VanDerWaalsContact CB-CZ 3.43Å; S547-F579 VanDerWaalsContact O-CE1 3.3Å; S547-F579 WeakPolarHBondContact O-CE1 3.31Å; S547-F579 WeakPolarHBondContact OG-CE2 3.34Å; S547-F579 VanDerWaalsContact OG-CZ 3.22Å; S547-F579 WeakPolarHBondContact OG-CZ 3.37Å
548	R	95.7	Very high	96.8	Very high	134 Å²	134	49.9 Å²	49.9	51%	0.506	27%	0.269	S	S	.	.	H	α-helix	trans	-76.4	-49.3	-179.7	-174.1	-178.1	-63.7	127.2	4	112.9	E544 E545 C546 V578	E544-R548 PolarHBondContact O-N 2.84Å; E544-R548 VanDerWaalsContact O-N 3.11Å; E544-R548 IonicContact OE1-NH2 3.94Å; E544-R548 PolarHBondContact OE1-NH2 2.9Å; E545-R548 PolarHBondContact O-N 3.29Å; E545-R548 VanDerWaalsContact O-N 3.13Å; E545-R548 IonicContact OE2-CZ 3.6Å; E545-R548 IonicContact OE2-NH1 2.85Å; E545-R548 PolarHBondContact OE2-NH1 3.29Å; C546-R548 VanDerWaalsContact C-N 3.28Å; C546-R548 PolarHBondContact O-N 2.76Å; R548-V578 HydrophobicContact CB-CG1 4.34Å; R548-V578 HydrophobicContact CB-CG2 4.26Å
549	T	95.1	Very high	96.9	Very high	53 Å²	53	42.1 Å²	42.1	33%	0.325	24%	0.235	S	C	.	.	H	α-helix	trans	-85.7	-24	-172.4	57.4	0	0	0	0	113.1	E545 E551	E545-T549 HydrophobicContact CG-CG2 4.18Å; E545-T549 WeakPolarHBondContact O-CG2 3.47Å; E545-T549 PolarHBondContact O-N 3.19Å; E545-T549 PolarHBondContact O-OG1 3.2Å; E545-T549 WeakPolarHBondContact OE1-CG2 3.32Å; T549-E551 PolarHBondContact O-N 3.06Å; T549-E551 PolarHBondContact OG1-N 3.46Å; T549-E551 VanDerWaalsContact OG1-N 3.15Å
550	R	91.3	Very high	96.9	Very high	94 Å²	94	45.4 Å²	45.4	36%	0.355	25%	0.248	S	C	.	.			trans	61	16.3	-166.2	-48	-61.8	-170.4	172.2	-2.2	113.1	H244 C546 F579	H244-R550 PolarHBondContact CD2-NH1 2.9Å; H244-R550 PolarHBondContact NE2-NH1 3.37Å; C546-R550 VanDerWaalsContact O-CA 3.24Å; C546-R550 WeakPolarHBondContact O-CA 3.06Å; C546-R550 PolarHBondContact O-N 3.13Å; R550-F579 VanDerWaalsContact NH2-CE1 3.32Å
551	E	92.1	Very high	96.9	Very high	154 Å²	154	44 Å²	44	72%	0.72	24%	0.24	S	C	*	.			trans	-94	124.4	174.6	-65.5	-174.1	178	0	0	110.3	C546 T549	C546-E551 PolarHBondContact SG-O 3.04Å; C546-E551 VanDerWaalsContact SG-O 3.38Å; T549-E551 PolarHBondContact O-N 3.06Å; T549-E551 PolarHBondContact OG1-N 3.46Å; T549-E551 VanDerWaalsContact OG1-N 3.15Å
552	G	93.1	Very high	96.9	Very high	62 Å²	62	41.4 Å²	41.4	64%	0.639	22%	0.219	S	C	*	.	S	Bend	trans	108.1	-159.2	-174.9	0	0	0	0	0	112.1
553	N	96.3	Very high	96.9	Very high	27 Å²	27	43.3 Å²	43.3	14%	0.144	22%	0.218	C	C	.	.			trans	-139.6	120.7	178	-179.6	-90.2	0	0	0	109	D248 L555 A556 L557	D248-N553 WeakPolarHBondContact CA-ND2 3.26Å; D248-N553 WeakPolarHBondContact CB-ND2 3.35Å; D248-N553 PolarHBondContact O-ND2 3.25Å; N553-L555 VanDerWaalsContact C-N 3.31Å; N553-L555 PolarHBondContact O-N 3.11Å; N553-L555 PolarHBondContact OD1-N 2.85Å; N553-A556 HydrophobicContact CB-CB 4.01Å; N553-A556 PolarHBondContact O-N 3.19Å; N553-A556 PolarHBondContact OD1-N 3.39Å; N553-L557 PolarHBondContact O-N 3.07Å; N553-L557 VanDerWaalsContact O-N 3.1Å
554	L	97.3	Very high	96.9	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-58.6	-40.9	-175.5	-71.5	170.2	0	0	0	112.3	I197 A245 D248 I543 C546 L557 A558 M575 F579	I197-L554 HydrophobicContact CD1-CB 4.2Å; A245-L554 HydrophobicContact CB-CD1 4.46Å; D248-L554 HydrophobicContact CB-CB 4.42Å; D248-L554 WeakPolarHBondContact OD2-CB 3.3Å; D248-L554 VanDerWaalsContact OD2-CG 3.31Å; D248-L554 WeakPolarHBondContact OD2-CG 3.33Å; D248-L554 PolarHBondContact OD2-N 2.94Å; I543-L554 HydrophobicContact CG2-CD2 4.44Å; C546-L554 HydrophobicContact CB-CD2 4.17Å; L554-L557 PolarHBondContact O-N 3.28Å; L554-A558 VanDerWaalsContact O-CB 3.26Å; L554-A558 WeakPolarHBondContact O-CB 3.31Å; L554-A558 PolarHBondContact O-N 3.31Å; L554-M575 HydrophobicContact CD2-SD 4.45Å; L554-F579 HydrophobicContact CD1-CE2 4.35Å; L554-F579 HydrophobicContact CD1-CZ 4.31Å
555	L	98.1	Very high	96.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.8	-40.9	179.2	-178.7	59.7	0	0	0	111.7	I197 L200 A201 I204 I249 Y252 N553 L557 A558 V559	I197-L555 HydrophobicContact CD1-CB 4.22Å; L200-L555 HydrophobicContact CB-CD1 4.16Å; L200-L555 HydrophobicContact CD2-CD1 4.18Å; L200-L555 HydrophobicContact CD2-CD2 3.64Å; L200-L555 HydrophobicContact CG-CD1 4.12Å; L200-L555 HydrophobicContact CG-CD2 4.24Å; A201-L555 HydrophobicContact CB-CD1 4.26Å; I204-L555 HydrophobicContact CD1-CD1 4.37Å; I204-L555 HydrophobicContact CD1-CD2 4.33Å; I204-L555 HydrophobicContact CD1-CG 4.5Å; I249-L555 HydrophobicContact CG1-CB 4.49Å; I249-L555 HydrophobicContact CG1-CD2 4.2Å; Y252-L555 HydrophobicContact CD1-CD2 3.47Å; Y252-L555 VanDerWaalsContact CD1-CD2 3.47Å; Y252-L555 HydrophobicContact CD1-CG 4.03Å; Y252-L555 HydrophobicContact CE1-CD2 4.16Å; Y252-L555 HydrophobicContact CE1-CG 4.45Å; Y252-L555 HydrophobicContact CG-CB 4.37Å; Y252-L555 HydrophobicContact CG-CD2 3.81Å; Y252-L555 HydrophobicContact CG-CG 4.13Å; N553-L555 VanDerWaalsContact C-N 3.31Å; N553-L555 PolarHBondContact O-N 3.11Å; N553-L555 PolarHBondContact OD1-N 2.85Å; L555-L557 PolarHBondContact O-N 3.19Å; L555-A558 PolarHBondContact O-N 2.84Å; L555-V559 WeakPolarHBondContact O-CG2 3.41Å; L555-V559 PolarHBondContact O-N 3.05Å
556	A	98.2	Very high	96.9	Very high	34 Å²	34	40.5 Å²	40.5	28%	0.281	21%	0.206	S	C	.	.	H	α-helix	trans	-60.3	-45.4	176.3	0	0	0	0	0	111.7	Y252 N553 V559 E560	Y252-A556 HydrophobicContact CD2-CB 3.9Å; Y252-A556 HydrophobicContact CE2-CB 3.86Å; N553-A556 HydrophobicContact CB-CB 4.01Å; N553-A556 PolarHBondContact O-N 3.19Å; N553-A556 PolarHBondContact OD1-N 3.39Å; A556-V559 WeakPolarHBondContact O-CB 3.46Å; A556-V559 PolarHBondContact O-N 3.26Å; A556-E560 PolarHBondContact O-N 3.19Å
557	L	98.5	Very high	97	Very high	48 Å²	48	40.3 Å²	40.3	25%	0.251	20%	0.204	S	C	.	.	H	α-helix	trans	-67.8	-36.2	177.2	-65.9	172.9	0	0	0	112.2	A542 I543 C546 N553 L554 L555 V559 E560 A561	A542-L557 HydrophobicContact CB-CD2 4.21Å; I543-L557 HydrophobicContact CG1-CB 3.79Å; C546-L557 HydrophobicContact CB-CD1 3.34Å; N553-L557 PolarHBondContact O-N 3.07Å; N553-L557 VanDerWaalsContact O-N 3.1Å; L554-L557 PolarHBondContact O-N 3.28Å; L555-L557 PolarHBondContact O-N 3.19Å; L557-V559 VanDerWaalsContact C-N 3.33Å; L557-V559 PolarHBondContact O-N 3Å; L557-E560 PolarHBondContact O-N 3.04Å; L557-A561 PolarHBondContact O-N 3.37Å
558	A	98.6	Very high	97.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.3	-33	174.7	0	0	0	0	0	112.7	I197 A201 L554 L555 E560 A561 A562 I571	I197-A558 HydrophobicContact CG2-CB 3.33Å; A201-A558 VanDerWaalsContact CB-C 3.47Å; A201-A558 HydrophobicContact CB-CB 3.84Å; A201-A558 WeakPolarHBondContact CB-O 3.46Å; L554-A558 VanDerWaalsContact O-CB 3.26Å; L554-A558 WeakPolarHBondContact O-CB 3.31Å; L554-A558 PolarHBondContact O-N 3.31Å; L555-A558 PolarHBondContact O-N 2.84Å; A558-E560 VanDerWaalsContact C-N 3.35Å; A558-A561 PolarHBondContact O-N 2.82Å; A558-A562 VanDerWaalsContact O-CB 3.31Å; A558-A562 WeakPolarHBondContact O-CB 3.46Å; A558-A562 PolarHBondContact O-N 2.93Å; A558-I571 HydrophobicContact CB-CG2 4.35Å
559	V	98.7	Very high	97.3	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-62	-43	171.9	168.3	0	0	0	0	110.8	A201 I204 V205 L555 A556 L557 A562 R563	A201-V559 HydrophobicContact CB-CG2 3.96Å; I204-V559 HydrophobicContact CB-CG2 4.22Å; I204-V559 HydrophobicContact CD1-CG2 3.9Å; I204-V559 HydrophobicContact CG2-CG1 4.28Å; I204-V559 HydrophobicContact CG2-CG2 4.07Å; V205-V559 HydrophobicContact CG2-CG1 3.95Å; V205-V559 WeakPolarHBondContact CG2-O 3.25Å; L555-V559 WeakPolarHBondContact O-CG2 3.41Å; L555-V559 PolarHBondContact O-N 3.05Å; A556-V559 WeakPolarHBondContact O-CB 3.46Å; A556-V559 PolarHBondContact O-N 3.26Å; L557-V559 VanDerWaalsContact C-N 3.33Å; L557-V559 PolarHBondContact O-N 3Å; V559-A562 PolarHBondContact O-N 3.25Å; V559-R563 WeakPolarHBondContact O-CB 3.03Å; V559-R563 PolarHBondContact O-N 3.34Å
560	E	98.5	Very high	97.4	Very high	90 Å²	90	33.5 Å²	33.5	42%	0.421	18%	0.175	S	C	.	.	H	α-helix	trans	-64.5	-41.6	174.4	-60.5	-55	126.4	0	0	112	A556 L557 A558 R563 A564	A556-E560 PolarHBondContact O-N 3.19Å; L557-E560 PolarHBondContact O-N 3.04Å; A558-E560 VanDerWaalsContact C-N 3.35Å; E560-R563 PolarHBondContact O-N 2.73Å; E560-R563 IonicContact OE1-CZ 3.59Å; E560-R563 IonicContact OE1-NH1 2.7Å; E560-R563 PolarHBondContact OE1-NH1 2.99Å; E560-R563 IonicContact OE1-NH2 3.82Å; E560-R563 IonicContact OE2-CZ 3.99Å; E560-R563 IonicContact OE2-NH1 2.73Å; E560-R563 PolarHBondContact OE2-NH1 2.76Å; E560-A564 WeakPolarHBondContact O-CB 3.49Å; E560-A564 PolarHBondContact O-N 2.8Å
561	A	98.6	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.7	-43.7	176.1	0	0	0	0	0	112.3	C539 I543 L557 A558 R563 A564 R565 C566 I571	C539-A561 HydrophobicContact CB-CB 3.92Å; I543-A561 HydrophobicContact CD1-CB 3.78Å; L557-A561 PolarHBondContact O-N 3.37Å; A558-A561 PolarHBondContact O-N 2.82Å; A561-R563 VanDerWaalsContact C-N 3.31Å; A561-R563 PolarHBondContact O-N 2.85Å; A561-A564 CarbonylContact O-C 3.31Å; A561-A564 WeakPolarHBondContact O-CA 3.01Å; A561-A564 WeakPolarHBondContact O-CB 3.43Å; A561-A564 PolarHBondContact O-N 3.45Å; A561-A564 VanDerWaalsContact O-N 3.1Å; A561-R565 PolarHBondContact O-N 2.69Å; A561-C566 HydrophobicContact CB-CB 3.97Å; A561-C566 VanDerWaalsContact O-CB 3.31Å; A561-C566 WeakPolarHBondContact O-CB 3.15Å; A561-C566 PolarHBondContact O-N 2.98Å; A561-I571 HydrophobicContact CB-CD1 3.9Å; A561-I571 HydrophobicContact CB-CG1 3.93Å
562	A	98.4	Very high	98.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62	-40.1	175.5	0	0	0	0	0	111.2	V171 A201 M202 V205 A558 V559 A564 R565	V171-A562 WeakPolarHBondContact CG1-O 3.39Å; A201-A562 HydrophobicContact CB-CB 4.05Å; M202-A562 HydrophobicContact CG-CB 4Å; V205-A562 HydrophobicContact CG2-CB 4.03Å; A558-A562 VanDerWaalsContact O-CB 3.31Å; A558-A562 WeakPolarHBondContact O-CB 3.46Å; A558-A562 PolarHBondContact O-N 2.93Å; V559-A562 PolarHBondContact O-N 3.25Å; A562-A564 VanDerWaalsContact C-N 3.28Å; A562-A564 PolarHBondContact O-N 2.81Å; A562-R565 PolarHBondContact O-N 3.38Å
563	R	98.3	Very high	98.3	Very high	79 Å²	79	22.2 Å²	22.2	30%	0.298	11%	0.113	S	C	.	.	H	α-helix	trans	-64.1	-34.2	173.6	-165.2	-180	-58	116.3	3.4	112.3	V205 E208 V559 E560 A561 R565	V205-R563 HydrophobicContact CG1-CB 4.37Å; V205-R563 HydrophobicContact CG2-CB 4.29Å; E208-R563 IonicContact OE1-NH2 2.77Å; E208-R563 IonicContact OE2-CZ 3.64Å; E208-R563 IonicContact OE2-NE 3.7Å; E208-R563 IonicContact OE2-NH2 3.59Å; E208-R563 PolarHBondContact OE2-NH2 2.74Å; V559-R563 WeakPolarHBondContact O-CB 3.03Å; V559-R563 PolarHBondContact O-N 3.34Å; E560-R563 PolarHBondContact O-N 2.73Å; E560-R563 IonicContact OE1-CZ 3.59Å; E560-R563 IonicContact OE1-NH1 2.7Å; E560-R563 PolarHBondContact OE1-NH1 2.99Å; E560-R563 IonicContact OE1-NH2 3.82Å; E560-R563 IonicContact OE2-CZ 3.99Å; E560-R563 IonicContact OE2-NH1 2.73Å; E560-R563 PolarHBondContact OE2-NH1 2.76Å; A561-R563 VanDerWaalsContact C-N 3.31Å; A561-R563 PolarHBondContact O-N 2.85Å; R563-R565 WeakPolarHBondContact O-CD 3.12Å; R563-R565 PolarHBondContact O-N 3.44Å; R563-R565 PolarHBondContact O-NH1 2.93Å
564	A	98.4	Very high	98.4	Very high	16 Å²	16	21.1 Å²	21.1	13%	0.132	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	8.5	172.5	0	0	0	0	0	114	V535 E560 A561 A562 C566	V535-A564 HydrophobicContact CG1-CB 3.86Å; E560-A564 WeakPolarHBondContact O-CB 3.49Å; E560-A564 PolarHBondContact O-N 2.8Å; A561-A564 CarbonylContact O-C 3.31Å; A561-A564 WeakPolarHBondContact O-CA 3.01Å; A561-A564 WeakPolarHBondContact O-CB 3.43Å; A561-A564 PolarHBondContact O-N 3.45Å; A561-A564 VanDerWaalsContact O-N 3.1Å; A562-A564 VanDerWaalsContact C-N 3.28Å; A562-A564 PolarHBondContact O-N 2.81Å; A564-C566 PolarHBondContact O-N 3.4Å
565	R	98.5	Very high	98.5	Very high	53 Å²	53	21.2 Å²	21.2	20%	0.2	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	32.7	179.5	-78.6	63.2	179.1	169	9.3	112.8	V171 E172 E209 V527 R531 A561 A562 R563	V171-R565 HydrophobicContact CG1-CG 4.19Å; E172-R565 IonicContact OE1-CZ 3.7Å; E172-R565 VanDerWaalsContact OE1-CZ 3.3Å; E172-R565 IonicContact OE1-NE 3.8Å; E172-R565 PolarHBondContact OE1-NE 3.34Å; E172-R565 IonicContact OE1-NH2 3.26Å; E172-R565 PolarHBondContact OE1-NH2 2.95Å; E209-R565 IonicContact OE1-CZ 3.42Å; E209-R565 VanDerWaalsContact OE1-CZ 3.26Å; E209-R565 IonicContact OE1-NH1 2.87Å; E209-R565 PolarHBondContact OE1-NH1 2.94Å; E209-R565 IonicContact OE1-NH2 3.45Å; E209-R565 PolarHBondContact OE1-NH2 3.48Å; E209-R565 IonicContact OE2-NH2 3.75Å; E209-R565 PolarHBondContact OE2-NH2 3.34Å; V527-R565 HydrophobicContact CG1-CB 3.71Å; V527-R565 HydrophobicContact CG1-CG 3.91Å; R531-R565 HydrophobicContact CB-CB 3.97Å; R531-R565 WeakPolarHBondContact CD-O 3.38Å; R531-R565 PolarHBondContact NH1-O 3.21Å; A561-R565 PolarHBondContact O-N 2.69Å; A562-R565 PolarHBondContact O-N 3.38Å; R563-R565 WeakPolarHBondContact O-CD 3.12Å; R563-R565 PolarHBondContact O-N 3.44Å; R563-R565 PolarHBondContact O-NH1 2.93Å
566	C	98.7	Very high	98.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.112	C	C	.	.			trans	-67.1	143.1	161.7	-63.4	0	0	0	0	109.8	L540 A561 A564 E570 I571	L540-C566 HydrophobicContact CD2-CB 4.09Å; A561-C566 HydrophobicContact CB-CB 3.97Å; A561-C566 VanDerWaalsContact O-CB 3.31Å; A561-C566 WeakPolarHBondContact O-CB 3.15Å; A561-C566 PolarHBondContact O-N 2.98Å; A564-C566 PolarHBondContact O-N 3.4Å; C566-E570 WeakPolarHBondContact CA-OE2 3.46Å; C566-I571 HydrophobicContact CB-CD1 4.11Å; C566-I571 HydrophobicContact CB-CG1 3.92Å
567	S	98.8	Very high	98.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.129	C	C	.	.			trans	-82.5	167.7	179.9	70.5	0	0	0	0	113	D151 D169 G569 E570 I571	D151-S567 VanDerWaalsContact CG-OG 3.23Å; D151-S567 WeakPolarHBondContact OD1-CB 3.14Å; D151-S567 PolarHBondContact OD1-OG 3.33Å; D151-S567 VanDerWaalsContact OD1-OG 3.1Å; D151-S567 VanDerWaalsContact OD2-CB 3.26Å; D151-S567 WeakPolarHBondContact OD2-CB 3.4Å; D151-S567 PolarHBondContact OD2-OG 2.95Å; D169-S567 CarbonylContact O-C 3.49Å; D169-S567 WeakPolarHBondContact O-CA 3.15Å; D169-S567 VanDerWaalsContact O-CB 3.32Å; D169-S567 WeakPolarHBondContact O-CB 3.39Å; S567-G569 VanDerWaalsContact C-N 3.28Å; S567-G569 PolarHBondContact O-N 3.39Å; S567-E570 PolarHBondContact N-OE2 3.25Å; S567-E570 PolarHBondContact O-N 3.03Å; S567-E570 VanDerWaalsContact OG-CG 3.27Å; S567-E570 WeakPolarHBondContact OG-CG 3.47Å; S567-E570 PolarHBondContact OG-N 3.23Å; S567-E570 VanDerWaalsContact OG-N 3.1Å; S567-I571 WeakPolarHBondContact O-CG1 3.5Å; S567-I571 PolarHBondContact O-N 3.27Å
568	V	98.6	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-55.9	-47	172	169.3	0	0	0	0	109.8	I168 D169 A195 P198 M202 T572	I168-V568 HydrophobicContact CG2-CG2 4.42Å; I168-V568 VanDerWaalsContact O-CG2 3.31Å; I168-V568 WeakPolarHBondContact O-CG2 3.37Å; D169-V568 PolarHBondContact O-N 3.44Å; A195-V568 HydrophobicContact CB-CG1 4.17Å; P198-V568 HydrophobicContact CB-CB 4.48Å; P198-V568 HydrophobicContact CB-CG1 4.5Å; P198-V568 HydrophobicContact CB-CG2 4.27Å; P198-V568 HydrophobicContact CG-CG1 4.09Å; M202-V568 HydrophobicContact CE-CB 4.43Å; M202-V568 HydrophobicContact CE-CG2 3.53Å; M202-V568 HydrophobicContact SD-CG2 3.77Å; V568-T572 VanDerWaalsContact O-CB 3.27Å; V568-T572 WeakPolarHBondContact O-CB 3.3Å; V568-T572 PolarHBondContact O-N 3.2Å; V568-T572 PolarHBondContact O-OG1 3.49Å
569	G	98.4	Very high	98.3	Very high	4 Å²	4	28.9 Å²	28.9	4%	0.041	14%	0.137	C	C	.	.	H	α-helix	trans	-60	-49.7	177.2	0	0	0	0	0	112.3	G149 D151 S567 I571 T572 D573	G149-G569 WeakPolarHBondContact O-CA 3.09Å; D151-G569 WeakPolarHBondContact OD1-CA 3.5Å; D151-G569 PolarHBondContact OD1-N 3.49Å; S567-G569 VanDerWaalsContact C-N 3.28Å; S567-G569 PolarHBondContact O-N 3.39Å; G569-I571 PolarHBondContact O-N 3.43Å; G569-T572 PolarHBondContact O-N 3Å; G569-D573 VanDerWaalsContact O-CB 3.3Å; G569-D573 WeakPolarHBondContact O-CB 3.44Å; G569-D573 VanDerWaalsContact O-CG 3.25Å; G569-D573 PolarHBondContact O-N 3.48Å
570	E	98.7	Very high	98.2	Very high	40 Å²	40	30.4 Å²	30.4	19%	0.187	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-44	-178.4	-72.9	170.1	156.8	0	0	112.9	R531 L540 C566 S567 T572 D573 A574	R531-E570 IonicContact CZ-OE1 2.78Å; R531-E570 IonicContact CZ-OE2 2.9Å; R531-E570 IonicContact NH1-OE1 2.63Å; R531-E570 PolarHBondContact NH1-OE1 3.23Å; R531-E570 IonicContact NH1-OE2 3.73Å; R531-E570 PolarHBondContact NH1-OE2 3.25Å; R531-E570 IonicContact NH2-OE1 3.89Å; R531-E570 PolarHBondContact NH2-OE1 3.1Å; R531-E570 IonicContact NH2-OE2 2.78Å; R531-E570 PolarHBondContact NH2-OE2 2.75Å; L540-E570 HydrophobicContact CD1-CB 3.93Å; L540-E570 HydrophobicContact CD1-CG 4.4Å; L540-E570 HydrophobicContact CD2-CB 3.95Å; C566-E570 WeakPolarHBondContact CA-OE2 3.46Å; S567-E570 PolarHBondContact N-OE2 3.25Å; S567-E570 PolarHBondContact O-N 3.03Å; S567-E570 VanDerWaalsContact OG-CG 3.27Å; S567-E570 WeakPolarHBondContact OG-CG 3.47Å; S567-E570 PolarHBondContact OG-N 3.23Å; S567-E570 VanDerWaalsContact OG-N 3.1Å; E570-T572 VanDerWaalsContact C-N 3.33Å; E570-D573 PolarHBondContact O-N 3.09Å; E570-A574 WeakPolarHBondContact O-CB 3.3Å; E570-A574 PolarHBondContact O-N 2.92Å
571	I	98.7	Very high	98	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-42.1	177.1	-69.4	168	0	0	0	110.2	I197 P198 L540 I543 A558 A561 C566 S567 G569 M575	I197-I571 HydrophobicContact CG2-CG2 4.39Å; P198-I571 HydrophobicContact CB-CB 4.03Å; P198-I571 HydrophobicContact CB-CD1 3.98Å; P198-I571 HydrophobicContact CB-CG2 3.84Å; P198-I571 HydrophobicContact CG-CG2 4.22Å; L540-I571 HydrophobicContact CD2-CG1 4.16Å; I543-I571 HydrophobicContact CD1-CG1 4.32Å; I543-I571 HydrophobicContact CD1-CG2 4.14Å; A558-I571 HydrophobicContact CB-CG2 4.35Å; A561-I571 HydrophobicContact CB-CD1 3.9Å; A561-I571 HydrophobicContact CB-CG1 3.93Å; C566-I571 HydrophobicContact CB-CD1 4.11Å; C566-I571 HydrophobicContact CB-CG1 3.92Å; S567-I571 WeakPolarHBondContact O-CG1 3.5Å; S567-I571 PolarHBondContact O-N 3.27Å; G569-I571 PolarHBondContact O-N 3.43Å; I571-M575 HydrophobicContact CG2-CE 4.05Å; I571-M575 WeakPolarHBondContact O-CE 3.48Å; I571-M575 PolarHBondContact O-N 3.05Å
572	T	98.6	Very high	97.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.2	-47.3	177.3	-58	0	0	0	0	110.9	G149 I236 F237 V568 G569 E570 A574 M575 K576	G149-T572 WeakPolarHBondContact CA-OG1 3.29Å; I236-T572 HydrophobicContact CD1-CG2 3.8Å; I236-T572 HydrophobicContact CG2-CG2 3.95Å; F237-T572 HydrophobicContact CZ-CG2 4.11Å; V568-T572 VanDerWaalsContact O-CB 3.27Å; V568-T572 WeakPolarHBondContact O-CB 3.3Å; V568-T572 PolarHBondContact O-N 3.2Å; V568-T572 PolarHBondContact O-OG1 3.49Å; G569-T572 PolarHBondContact O-N 3Å; E570-T572 VanDerWaalsContact C-N 3.33Å; T572-A574 VanDerWaalsContact C-N 3.32Å; T572-A574 PolarHBondContact O-N 3.18Å; T572-M575 WeakPolarHBondContact O-CB 3.49Å; T572-M575 PolarHBondContact O-N 3.03Å; T572-M575 VanDerWaalsContact O-N 3.11Å; T572-K576 HydrophobicContact CG2-CD 4.16Å; T572-K576 HydrophobicContact CG2-CG 4.19Å; T572-K576 WeakPolarHBondContact O-CG 3.33Å; T572-K576 PolarHBondContact O-N 3.19Å
573	D	98.4	Very high	97.3	Very high	74 Å²	74	41.9 Å²	41.9	40%	0.396	20%	0.203	S	C	.	.	H	α-helix	trans	-64.4	-36	-178.2	-75.3	-14	0	0	0	112.1	G569 E570 M575 K576 K577	G569-D573 VanDerWaalsContact O-CB 3.3Å; G569-D573 WeakPolarHBondContact O-CB 3.44Å; G569-D573 VanDerWaalsContact O-CG 3.25Å; G569-D573 PolarHBondContact O-N 3.48Å; E570-D573 PolarHBondContact O-N 3.09Å; D573-M575 VanDerWaalsContact C-N 3.28Å; D573-M575 PolarHBondContact O-N 2.78Å; D573-K576 PolarHBondContact O-N 3.31Å; D573-K576 WeakPolarHBondContact OD1-CD 3.35Å; D573-K576 IonicContact OD1-NZ 3.68Å; D573-K577 WeakPolarHBondContact O-CG 3.36Å; D573-K577 PolarHBondContact O-N 2.89Å
574	A	98.3	Very high	96.6	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-57.5	-41.3	172.7	0	0	0	0	0	112.1	L540 I543 E570 T572	L540-A574 HydrophobicContact CB-CB 4.45Å; L540-A574 HydrophobicContact CD2-CB 4.29Å; I543-A574 HydrophobicContact CB-CB 4.26Å; I543-A574 HydrophobicContact CG2-CB 3.99Å; E570-A574 WeakPolarHBondContact O-CB 3.3Å; E570-A574 PolarHBondContact O-N 2.92Å; T572-A574 VanDerWaalsContact C-N 3.32Å; T572-A574 PolarHBondContact O-N 3.18Å
575	M	98.2	Very high	95.6	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-73.3	-39.7	173.7	-65.9	-177.1	-76.8	0	0	112.2	I197 F237 I543 L554 I571 T572 D573 K577 V578 F579	I197-M575 HydrophobicContact CB-CE 4.08Å; I197-M575 HydrophobicContact CB-SD 4.48Å; I197-M575 HydrophobicContact CG1-SD 4.41Å; I197-M575 HydrophobicContact CG2-CE 4.11Å; I197-M575 HydrophobicContact CG2-SD 4.34Å; F237-M575 HydrophobicContact CE1-CB 3.81Å; F237-M575 HydrophobicContact CE2-CB 4.49Å; F237-M575 HydrophobicContact CE2-CE 4.21Å; F237-M575 HydrophobicContact CE2-SD 4.37Å; F237-M575 HydrophobicContact CZ-CB 3.61Å; F237-M575 HydrophobicContact CZ-CE 3.93Å; F237-M575 HydrophobicContact CZ-SD 4.25Å; I543-M575 HydrophobicContact CG2-CG 3.6Å; L554-M575 HydrophobicContact CD2-SD 4.45Å; I571-M575 HydrophobicContact CG2-CE 4.05Å; I571-M575 WeakPolarHBondContact O-CE 3.48Å; I571-M575 PolarHBondContact O-N 3.05Å; T572-M575 WeakPolarHBondContact O-CB 3.49Å; T572-M575 PolarHBondContact O-N 3.03Å; T572-M575 VanDerWaalsContact O-N 3.11Å; D573-M575 VanDerWaalsContact C-N 3.28Å; D573-M575 PolarHBondContact O-N 2.78Å; M575-K577 VanDerWaalsContact C-N 3.26Å; M575-K577 PolarHBondContact O-N 3.28Å; M575-V578 PolarHBondContact O-N 3.18Å; M575-V578 VanDerWaalsContact O-N 3.11Å; M575-F579 HydrophobicContact CB-CD2 3.9Å; M575-F579 HydrophobicContact CB-CE2 3.96Å; M575-F579 HydrophobicContact CG-CE2 4.26Å; M575-F579 PolarHBondContact O-N 2.87Å; M575-F579 HydrophobicContact SD-CE2 4.44Å
576	K	97.4	Very high	94.3	Very high	22 Å²	22	45.4 Å²	45.4	10%	0.096	25%	0.247	C	C	.	.	H	α-helix	trans	-59.6	-33.4	-179.6	-76.1	-179.3	177.5	179.8	0	112.7	I236 F237 T572 D573 V578 G580 E581	I236-K576 HydrophobicContact CG2-CD 4.34Å; I236-K576 HydrophobicContact CG2-CG 4.18Å; F237-K576 HydrophobicContact CD1-CG 4.29Å; F237-K576 HydrophobicContact CE1-CB 4.32Å; F237-K576 HydrophobicContact CE1-CG 3.58Å; F237-K576 HydrophobicContact CZ-CG 4.45Å; T572-K576 HydrophobicContact CG2-CD 4.16Å; T572-K576 HydrophobicContact CG2-CG 4.19Å; T572-K576 WeakPolarHBondContact O-CG 3.33Å; T572-K576 PolarHBondContact O-N 3.19Å; D573-K576 PolarHBondContact O-N 3.31Å; D573-K576 WeakPolarHBondContact OD1-CD 3.35Å; D573-K576 IonicContact OD1-NZ 3.68Å; K576-V578 PolarHBondContact O-N 3.49Å; K576-V578 VanDerWaalsContact O-N 3.15Å; K576-G580 WeakPolarHBondContact O-CA 3.33Å; K576-G580 PolarHBondContact O-N 3.25Å; K576-E581 HydrophobicContact CD-CG 4.17Å; K576-E581 WeakPolarHBondContact CD-OE1 3.32Å; K576-E581 WeakPolarHBondContact CE-OE1 3.11Å; K576-E581 HydrophobicContact CG-CG 4.46Å; K576-E581 IonicContact NZ-OE1 3.5Å; K576-E581 PolarHBondContact NZ-OE1 3.27Å
577	K	97.3	Very high	93.4	Very high	148 Å²	148	51.4 Å²	51.4	64%	0.643	27%	0.27	S	S	*	.	H	α-helix	trans	-55.9	-29.3	176.2	-73.7	176	-171.7	-179.5	0	113.9	E544 D573 M575	E544-K577 HydrophobicContact CG-CB 4.45Å; E544-K577 HydrophobicContact CG-CD 4.29Å; E544-K577 WeakPolarHBondContact OE2-CD 3.5Å; E544-K577 IonicContact OE2-NZ 3.29Å; E544-K577 PolarHBondContact OE2-NZ 3.41Å; D573-K577 WeakPolarHBondContact O-CG 3.36Å; D573-K577 PolarHBondContact O-N 2.89Å; M575-K577 VanDerWaalsContact C-N 3.26Å; M575-K577 PolarHBondContact O-N 3.28Å
578	V	97.6	Very high	92.5	Very high	54 Å²	54	55.3 Å²	55.3	33%	0.327	29%	0.289	S	S	.	.	H	α-helix	trans	-101.9	-45.1	179.3	-177.6	0	0	0	0	111.3	E544 R548 M575 K576	E544-V578 HydrophobicContact CG-CG2 4.07Å; R548-V578 HydrophobicContact CB-CG1 4.34Å; R548-V578 HydrophobicContact CB-CG2 4.26Å; M575-V578 PolarHBondContact O-N 3.18Å; M575-V578 VanDerWaalsContact O-N 3.11Å; K576-V578 PolarHBondContact O-N 3.49Å; K576-V578 VanDerWaalsContact O-N 3.15Å
579	F	96.7	Very high	91.8	Very high	20 Å²	20	56 Å²	56	9%	0.088	29%	0.294	C	S	.	.	H	α-helix	trans	-83.5	-21	-172.7	-59	-24.4	0	0	0	114.2	F237 P238 P241 S547 R550 L554 M575	F237-F579 HydrophobicContact CB-CB 4.29Å; F237-F579 HydrophobicContact CD1-CB 3.71Å; F237-F579 AromaticContact CD1-CD2 3.91Å; F237-F579 HydrophobicContact CD1-CD2 3.91Å; F237-F579 HydrophobicContact CD1-CG 4.34Å; F237-F579 HydrophobicContact CD2-CD2 4.43Å; F237-F579 HydrophobicContact CE1-CB 4.41Å; F237-F579 HydrophobicContact CE1-CD2 4.13Å; F237-F579 HydrophobicContact CG-CB 4.21Å; F237-F579 HydrophobicContact CG-CD2 4.07Å; P238-F579 WeakPolarHBondContact CD-O 3.23Å; P241-F579 HydrophobicContact CB-CB 3.88Å; P241-F579 HydrophobicContact CB-CD1 3.68Å; P241-F579 HydrophobicContact CB-CD2 3.82Å; P241-F579 HydrophobicContact CB-CE1 4.16Å; P241-F579 HydrophobicContact CB-CE2 4.26Å; P241-F579 HydrophobicContact CB-CG 3.51Å; P241-F579 HydrophobicContact CB-CZ 4.43Å; P241-F579 HydrophobicContact CG-CB 4.04Å; P241-F579 HydrophobicContact CG-CG 4.23Å; S547-F579 VanDerWaalsContact CB-CZ 3.43Å; S547-F579 VanDerWaalsContact O-CE1 3.3Å; S547-F579 WeakPolarHBondContact O-CE1 3.31Å; S547-F579 WeakPolarHBondContact OG-CE2 3.34Å; S547-F579 VanDerWaalsContact OG-CZ 3.22Å; S547-F579 WeakPolarHBondContact OG-CZ 3.37Å; R550-F579 VanDerWaalsContact NH2-CE1 3.32Å; L554-F579 HydrophobicContact CD1-CE2 4.35Å; L554-F579 HydrophobicContact CD1-CZ 4.31Å; M575-F579 HydrophobicContact CB-CD2 3.9Å; M575-F579 HydrophobicContact CB-CE2 3.96Å; M575-F579 HydrophobicContact CG-CE2 4.26Å; M575-F579 PolarHBondContact O-N 2.87Å; M575-F579 HydrophobicContact SD-CE2 4.44Å
580	G	96.6	Very high	91	Very high	32 Å²	32	60.3 Å²	60.3	33%	0.33	32%	0.323	S	S	.	.			trans	66.2	-168.6	-169.5	0	0	0	0	0	113.1	K576	K576-G580 WeakPolarHBondContact O-CA 3.33Å; K576-G580 PolarHBondContact O-N 3.25Å
581	E	95.1	Very high	90.2	Very high	90 Å²	90	59.8 Å²	59.8	42%	0.421	33%	0.328	S	S	.	.			trans	-114.7	143.7	176.7	-66.1	-171.4	159.5	0	0	111	I236 K576	I236-E581 WeakPolarHBondContact O-CA 3.31Å; K576-E581 HydrophobicContact CD-CG 4.17Å; K576-E581 WeakPolarHBondContact CD-OE1 3.32Å; K576-E581 WeakPolarHBondContact CE-OE1 3.11Å; K576-E581 HydrophobicContact CG-CG 4.46Å; K576-E581 IonicContact NZ-OE1 3.5Å; K576-E581 PolarHBondContact NZ-OE1 3.27Å
582	H	94.3	Very high	89.7	Confident	53 Å²	53	60.1 Å²	60.1	25%	0.245	33%	0.331	C	S	.	.			trans	-72.3	134.1	174.5	-174.4	63.3	0	0	0	111.3	F229 Y235 I236	F229-H582 AromaticContact CD1-CD2 3.65Å; F229-H582 AromaticContact CD1-NE2 3.8Å; F229-H582 HydrophobicContact CE1-CB 4.14Å; F229-H582 AromaticContact CE1-CD2 3.68Å; F229-H582 AromaticContact CE1-CG 3.75Å; Y235-H582 HydrophobicContact CD2-CB 3.88Å; Y235-H582 AromaticContact CD2-CD2 3.76Å; Y235-H582 HydrophobicContact CE2-CB 4.22Å; Y235-H582 AromaticContact CE2-CD2 3.53Å; Y235-H582 AromaticContact CZ-CD2 3.86Å; I236-H582 PolarHBondContact O-N 3.1Å
583	K	87.9	Confident	89.3	Confident	189 Å²	189	60.4 Å²	60.4	82%	0.822	33%	0.332	S	S	*	.			trans	-116.2	112.1	170	-64.5	-176.2	-179.6	-177.6	0	108.5
584	A	84.3	Confident	88.7	Confident	53 Å²	53	64.6 Å²	64.6	44%	0.438	34%	0.342	S	S	.	.			trans	-70.8	140.3	179.5	0	0	0	0	0	111.2	Y235	Y235-A584 WeakPolarHBondContact OH-CB 3.37Å
585	S	76.1	Confident	88.1	Confident	92 Å²	92	68 Å²	68	64%	0.643	37%	0.366	S	S	*	.			trans	-86.3	123.7	169.2	62.6	0	0	0	0	110.1	R587	S585-R587 PolarHBondContact O-N 2.94Å
586	T	72.1	Confident	87.7	Confident	77 Å²	77	70.6 Å²	70.6	47%	0.472	38%	0.378	S	S	.	.			trans	-81.4	110	179.1	-50.1	0	0	0	0	110.2	I656	T586-I656 HydrophobicContact CG2-CB 4.23Å; T586-I656 HydrophobicContact CG2-CD1 4.34Å; T586-I656 HydrophobicContact CG2-CG2 3.97Å
587	R	79.5	Confident	87	Confident	125 Å²	125	70.7 Å²	70.7	47%	0.472	38%	0.378	S	S	.	.			trans	-96.9	157.7	159.9	-64.4	-173.7	-175.1	167.2	9.2	109.4	E467 S585 K641	E467-R587 PolarHBondContact O-NH1 3.02Å; E467-R587 PolarHBondContact O-NH2 3.33Å; S585-R587 PolarHBondContact O-N 2.94Å; R587-K641 PolarHBondContact O-NZ 2.88Å
588	M	79.4	Confident	85.9	Confident	83 Å²	83	65.8 Å²	65.8	41%	0.409	37%	0.369	S	S	.	.			trans	-128.6	132.3	-178.5	-169.7	179.5	71	0	0	109.3	A648 I656	M588-A648 HydrophobicContact CE-CB 4.45Å; M588-I656 HydrophobicContact CB-CD1 4.32Å; M588-I656 HydrophobicContact CG-CD1 3.94Å; M588-I656 HydrophobicContact SD-CD1 3.9Å
589	V	84.1	Confident	84.4	Confident	15 Å²	15	71.6 Å²	71.6	9%	0.091	39%	0.393	C	S	.	.			trans	-70	145.1	167.6	179.7	0	0	0	0	108.8	L472 E475 E476 A592 T645	L472-V589 HydrophobicContact CD1-CG2 3.6Å; L472-V589 HydrophobicContact CG-CG2 4.45Å; E475-V589 HydrophobicContact CB-CG2 3.56Å; E476-V589 HydrophobicContact CB-CG1 4.42Å; E476-V589 HydrophobicContact CG-CG1 4.5Å; V589-A592 HydrophobicContact CG1-CB 3.61Å; V589-T645 WeakPolarHBondContact O-CB 3.36Å; V589-T645 PolarHBondContact O-OG1 3.09Å
590	S	82.7	Confident	82.4	Confident	94 Å²	94	76.3 Å²	76.3	66%	0.657	42%	0.415	S	S	*	.			trans	-139.1	139.7	175	179.5	0	0	0	0	110.1	A592	S590-A592 PolarHBondContact O-N 3.06Å
591	G	82	Confident	80	Confident	29 Å²	29	83.7 Å²	83.7	30%	0.299	44%	0.441	S	S	.	.	S	Bend	trans	80.1	-17.1	174.2	0	0	0	0	0	116.1	Y593 R594 S595 D649	G591-Y593 PolarHBondContact O-N 2.92Å; G591-R594 PolarHBondContact O-N 3.11Å; G591-S595 VanDerWaalsContact O-CB 3.31Å; G591-S595 WeakPolarHBondContact O-CB 3.48Å; G591-S595 PolarHBondContact O-N 3.14Å; G591-S595 PolarHBondContact O-OG 3.25Å; G591-D649 WeakPolarHBondContact CA-OD1 3.39Å; G591-D649 WeakPolarHBondContact CA-OD2 3.42Å; G591-D649 PolarHBondContact N-OD1 3.36Å; G591-D649 PolarHBondContact N-OD2 2.98Å
592	A	87.9	Confident	77.7	Confident	7 Å²	7	80.9 Å²	80.9	6%	0.058	43%	0.428	C	S	.	.	H	α-helix	trans	-63.2	-44.3	-176.5	0	0	0	0	0	112.5	E476 A479 V589 S590 S595 E596	E476-A592 HydrophobicContact CG-CB 3.76Å; A479-A592 HydrophobicContact CB-CB 4.18Å; V589-A592 HydrophobicContact CG1-CB 3.61Å; S590-A592 PolarHBondContact O-N 3.06Å; A592-S595 PolarHBondContact O-N 3.21Å; A592-S595 PolarHBondContact O-OG 3.36Å; A592-E596 WeakPolarHBondContact O-CB 3.43Å; A592-E596 PolarHBondContact O-N 3.5Å
593	Y	88.7	Confident	75.2	Confident	6 Å²	6	82 Å²	82	2%	0.024	44%	0.435	C	S	.	.	H	α-helix	trans	-61.8	-52.6	178.4	177.3	-90.4	0	0	0	110.4	Q482 A483 D486 G591 S595 E596 F597 I737 P738	Q482-Y593 HydrophobicContact CB-CD2 4.38Å; Q482-Y593 HydrophobicContact CB-CE2 4.27Å; Q482-Y593 HydrophobicContact CG-CE2 4.15Å; A483-Y593 HydrophobicContact CB-CD2 3.76Å; A483-Y593 HydrophobicContact CB-CE2 3.87Å; A483-Y593 HydrophobicContact CB-CG 4.28Å; A483-Y593 VanDerWaalsContact CB-O 3.31Å; A483-Y593 WeakPolarHBondContact CB-O 3.28Å; D486-Y593 PolarHBondContact OD2-OH 3.1Å; D486-Y593 VanDerWaalsContact OD2-OH 3.13Å; G591-Y593 PolarHBondContact O-N 2.92Å; Y593-S595 PolarHBondContact O-N 3.28Å; Y593-E596 PolarHBondContact O-N 3.06Å; Y593-F597 HydrophobicContact CE1-CD2 4.07Å; Y593-F597 AromaticContact CZ-CD2 3.83Å; Y593-F597 WeakPolarHBondContact O-CB 3.42Å; Y593-F597 PolarHBondContact O-N 3.26Å; Y593-F597 WeakPolarHBondContact OH-CD2 3.46Å; Y593-F597 WeakPolarHBondContact OH-CE2 3.45Å; Y593-I737 HydrophobicContact CD2-CD1 3.94Å; Y593-I737 HydrophobicContact CE2-CD1 3.56Å; Y593-I737 HydrophobicContact CE2-CG1 4.25Å; Y593-P738 WeakPolarHBondContact OH-CD 3.24Å
594	R	85.7	Confident	73.2	Confident	162 Å²	162	76.2 Å²	76.2	61%	0.611	42%	0.422	S	S	*	.	H	α-helix	trans	-60.4	-41.7	179.2	-177.8	175	176.9	170.6	-0.5	113.1	G591 E596 D649	G591-R594 PolarHBondContact O-N 3.11Å; R594-E596 VanDerWaalsContact C-N 3.35Å; R594-E596 PolarHBondContact O-N 3.34Å; R594-D649 HydrophobicContact CB-CB 4.1Å; R594-D649 WeakPolarHBondContact CB-OD2 3.43Å; R594-D649 PolarHBondContact N-OD2 2.87Å
595	S	86.7	Confident	71.5	Confident	75 Å²	75	77.6 Å²	77.6	52%	0.524	42%	0.422	S	S	.	.	H	α-helix	trans	-64.5	-39.1	-178.4	67.4	0	0	0	0	112.9	G591 A592 Y593	G591-S595 VanDerWaalsContact O-CB 3.31Å; G591-S595 WeakPolarHBondContact O-CB 3.48Å; G591-S595 PolarHBondContact O-N 3.14Å; G591-S595 PolarHBondContact O-OG 3.25Å; A592-S595 PolarHBondContact O-N 3.21Å; A592-S595 PolarHBondContact O-OG 3.36Å; Y593-S595 PolarHBondContact O-N 3.28Å
596	E	89.1	Confident	69.9	Low	57 Å²	57	75.2 Å²	75.2	27%	0.266	41%	0.408	S	S	.	.	H	α-helix	trans	-80.4	-29.8	-177.7	-171.5	79.1	-165.5	0	0	111.7	R480 A483 R484 A592 Y593 R594 G598	R480-E596 HydrophobicContact CB-CB 4.14Å; R480-E596 HydrophobicContact CB-CG 3.81Å; R480-E596 HydrophobicContact CG-CB 4.06Å; R480-E596 HydrophobicContact CG-CG 4.17Å; R480-E596 IonicContact NH1-OE2 3.89Å; R480-E596 PolarHBondContact NH1-OE2 2.84Å; R480-E596 WeakPolarHBondContact O-CG 3.02Å; A483-E596 HydrophobicContact CB-CB 3.89Å; A483-E596 HydrophobicContact CB-CG 4.16Å; R484-E596 HydrophobicContact CG-CG 3.94Å; R484-E596 IonicContact CZ-OE1 3.72Å; R484-E596 IonicContact NH1-OE1 2.68Å; R484-E596 PolarHBondContact NH1-OE1 3.05Å; R484-E596 IonicContact NH1-OE2 2.81Å; A592-E596 WeakPolarHBondContact O-CB 3.43Å; A592-E596 PolarHBondContact O-N 3.5Å; Y593-E596 PolarHBondContact O-N 3.06Å; R594-E596 VanDerWaalsContact C-N 3.35Å; R594-E596 PolarHBondContact O-N 3.34Å; E596-G598 PolarHBondContact O-N 2.88Å
597	F	83.4	Confident	68.7	Low	24 Å²	24	76 Å²	76	11%	0.105	41%	0.409	C	S	.	.	H	α-helix	trans	-59.9	-31.8	175.5	-156.9	-83.1	0	0	0	112.1	A483 D486 Y593 E602 P738	A483-F597 HydrophobicContact CB-CB 4.12Å; A483-F597 HydrophobicContact CB-CD2 4.17Å; D486-F597 HydrophobicContact CB-CE2 3.79Å; Y593-F597 HydrophobicContact CE1-CD2 4.07Å; Y593-F597 AromaticContact CZ-CD2 3.83Å; Y593-F597 WeakPolarHBondContact O-CB 3.42Å; Y593-F597 PolarHBondContact O-N 3.26Å; Y593-F597 WeakPolarHBondContact OH-CD2 3.46Å; Y593-F597 WeakPolarHBondContact OH-CE2 3.45Å; F597-E602 HydrophobicContact CE1-CB 4.3Å; F597-E602 WeakPolarHBondContact CE1-OE2 3.22Å; F597-E602 WeakPolarHBondContact CZ-OE2 3.31Å; F597-P738 HydrophobicContact CE2-CG 4.42Å
598	G	74.8	Confident	67.6	Low	44 Å²	44	75.1 Å²	75.1	45%	0.454	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	-173.3	173.3	0	0	0	0	0	115	E596 H600	E596-G598 PolarHBondContact O-N 2.88Å; G598-H600 VanDerWaalsContact C-N 3.27Å; G598-H600 PolarHBondContact O-N 3.1Å
599	E	65.6	Low	66.5	Low	177 Å²	177	72.5 Å²	72.5	83%	0.827	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	38.9	177.3	-65.8	-169.7	172.6	0	0	112.3	I603	E599-I603 HydrophobicContact CB-CD1 3.79Å; E599-I603 HydrophobicContact CG-CD1 4.04Å
600	H	54.3	Low	65.2	Low	119 Å²	119	74.7 Å²	74.7	55%	0.551	41%	0.409	S	S	*	.			trans	-63.6	157	173	-103.1	-77.1	0	0	0	110.3	G598 E602 I603	G598-H600 VanDerWaalsContact C-N 3.27Å; G598-H600 PolarHBondContact O-N 3.1Å; H600-E602 CarbonylContact O-C 3.49Å; H600-E602 WeakPolarHBondContact O-CA 3.49Å; H600-E602 PolarHBondContact O-N 2.9Å; H600-I603 PolarHBondContact O-N 3.02Å
601	E	46.4	Very low	64.3	Low	186 Å²	186	74.4 Å²	74.4	87%	0.869	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	-1.7	-175.8	-72.3	-179.9	147.1	0	0	116.4	I603	E601-I603 PolarHBondContact O-N 3.05Å
602	E	46.3	Very low	64.1	Low	31 Å²	31	75.9 Å²	75.9	15%	0.145	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	7.6	161.8	-136.5	177.5	-147.9	0	0	114.1	F597 H600 A604 L605 A606 R609 R736	F597-E602 HydrophobicContact CE1-CB 4.3Å; F597-E602 WeakPolarHBondContact CE1-OE2 3.22Å; F597-E602 WeakPolarHBondContact CZ-OE2 3.31Å; H600-E602 CarbonylContact O-C 3.49Å; H600-E602 WeakPolarHBondContact O-CA 3.49Å; H600-E602 PolarHBondContact O-N 2.9Å; E602-A604 PolarHBondContact O-N 2.73Å; E602-L605 HydrophobicContact CG-CB 3.45Å; E602-L605 VanDerWaalsContact CG-CB 3.45Å; E602-L605 HydrophobicContact CG-CG 4.46Å; E602-L605 CarbonylContact O-C 3.56Å; E602-L605 PolarHBondContact O-N 3.37Å; E602-A606 VanDerWaalsContact O-CB 3.23Å; E602-A606 WeakPolarHBondContact O-CB 3.33Å; E602-A606 PolarHBondContact O-N 3.24Å; E602-R609 IonicContact OE1-CZ 3.62Å; E602-R609 IonicContact OE1-NH1 3.5Å; E602-R609 PolarHBondContact OE1-NH1 2.7Å; E602-R609 IonicContact OE1-NH2 3.45Å; E602-R609 IonicContact OE2-NH1 3.21Å; E602-R609 PolarHBondContact OE2-NH1 2.84Å; E602-R736 IonicContact OE1-CZ 3.69Å; E602-R736 IonicContact OE1-NH1 3.66Å; E602-R736 IonicContact OE1-NH2 3.23Å; E602-R736 PolarHBondContact OE1-NH2 3.5Å; E602-R736 VanDerWaalsContact OE1-NH2 3.07Å; E602-R736 IonicContact OE2-NH2 3.81Å
603	I	41.8	Very low	63.8	Low	77 Å²	77	75.8 Å²	75.8	40%	0.395	39%	0.394	S	S	.	.	H	α-helix	trans	-57.9	-30.2	163.3	-72	178	0	0	0	110.7	E599 H600 E601 L605 N607	E599-I603 HydrophobicContact CB-CD1 3.79Å; E599-I603 HydrophobicContact CG-CD1 4.04Å; H600-I603 PolarHBondContact O-N 3.02Å; E601-I603 PolarHBondContact O-N 3.05Å; I603-L605 PolarHBondContact O-N 2.98Å; I603-N607 WeakPolarHBondContact CG2-ND2 3.28Å; I603-N607 WeakPolarHBondContact O-CB 3.34Å; I603-N607 PolarHBondContact O-N 3.5Å; I603-N607 PolarHBondContact O-ND2 2.96Å; I603-N607 VanDerWaalsContact O-ND2 3.09Å
604	A	45.6	Very low	63.6	Low	67 Å²	67	79.2 Å²	79.2	55%	0.554	42%	0.416	S	S	*	.	H	α-helix	trans	-69.6	-29.4	173.2	0	0	0	0	0	113.5	E602 N608	E602-A604 PolarHBondContact O-N 2.73Å; A604-N608 PolarHBondContact O-N 3.48Å; A604-N608 PolarHBondContact O-ND2 3.37Å
605	L	49.3	Very low	63.6	Low	83 Å²	83	75.6 Å²	75.6	44%	0.435	41%	0.406	S	S	.	.	H	α-helix	trans	-95	-34.4	179.5	-107.6	110.2	0	0	0	112.8	E602 I603 N608 R609	E602-L605 HydrophobicContact CG-CB 3.45Å; E602-L605 VanDerWaalsContact CG-CB 3.45Å; E602-L605 HydrophobicContact CG-CG 4.46Å; E602-L605 CarbonylContact O-C 3.56Å; E602-L605 PolarHBondContact O-N 3.37Å; I603-L605 PolarHBondContact O-N 2.98Å; L605-N608 CarbonylContact O-C 3.56Å; L605-N608 PolarHBondContact O-N 3.5Å; L605-R609 VanDerWaalsContact O-CB 3.29Å; L605-R609 WeakPolarHBondContact O-CB 3.44Å; L605-R609 WeakPolarHBondContact O-CD 3.31Å; L605-R609 WeakPolarHBondContact O-CG 3.38Å; L605-R609 PolarHBondContact O-N 3Å
606	A	43.2	Very low	63.8	Low	42 Å²	42	72.1 Å²	72.1	35%	0.347	38%	0.381	S	S	.	.	H	α-helix	trans	-67.9	-36	170.6	0	0	0	0	0	111.1	E602 R609 Q610	E602-A606 VanDerWaalsContact O-CB 3.23Å; E602-A606 WeakPolarHBondContact O-CB 3.33Å; E602-A606 PolarHBondContact O-N 3.24Å; A606-R609 PolarHBondContact O-N 3.03Å; A606-Q610 WeakPolarHBondContact O-CB 3.36Å; A606-Q610 PolarHBondContact O-N 2.85Å
607	N	46.7	Very low	63.9	Low	94 Å²	94	74.1 Å²	74.1	50%	0.503	39%	0.389	S	S	.	.	H	α-helix	trans	-62.6	-49.1	167	-74.4	-23.9	0	0	0	110.1	I603 R609 L611	I603-N607 WeakPolarHBondContact CG2-ND2 3.28Å; I603-N607 WeakPolarHBondContact O-CB 3.34Å; I603-N607 PolarHBondContact O-N 3.5Å; I603-N607 PolarHBondContact O-ND2 2.96Å; I603-N607 VanDerWaalsContact O-ND2 3.09Å; N607-R609 VanDerWaalsContact C-N 3.32Å; N607-R609 PolarHBondContact O-N 3.19Å; N607-L611 WeakPolarHBondContact O-CA 3.35Å; N607-L611 WeakPolarHBondContact O-CB 3.11Å; N607-L611 WeakPolarHBondContact O-CD1 3.45Å; N607-L611 WeakPolarHBondContact O-CG 3.48Å; N607-L611 PolarHBondContact O-N 2.9Å
608	N	55.6	Low	64.2	Low	105 Å²	105	81.8 Å²	81.8	56%	0.561	42%	0.418	S	S	*	.	H	α-helix	trans	-59.6	-35.6	174.8	-97.4	-48.8	0	0	0	114	A604 L605 L611 R612	A604-N608 PolarHBondContact O-N 3.48Å; A604-N608 PolarHBondContact O-ND2 3.37Å; L605-N608 CarbonylContact O-C 3.56Å; L605-N608 PolarHBondContact O-N 3.5Å; N608-L611 WeakPolarHBondContact O-CB 3.46Å; N608-R612 WeakPolarHBondContact O-CG 3.5Å; N608-R612 PolarHBondContact O-N 2.9Å
609	R	57.7	Low	64.9	Low	29 Å²	29	85.1 Å²	85.1	11%	0.109	42%	0.421	C	S	.	.	H	α-helix	trans	-79.2	-43.7	-177.9	-71.8	167.5	176.8	152	-2.7	113.3	E602 L605 A606 N607 L611 R612 V613 P738 V742	E602-R609 IonicContact OE1-CZ 3.62Å; E602-R609 IonicContact OE1-NH1 3.5Å; E602-R609 PolarHBondContact OE1-NH1 2.7Å; E602-R609 IonicContact OE1-NH2 3.45Å; E602-R609 IonicContact OE2-NH1 3.21Å; E602-R609 PolarHBondContact OE2-NH1 2.84Å; L605-R609 VanDerWaalsContact O-CB 3.29Å; L605-R609 WeakPolarHBondContact O-CB 3.44Å; L605-R609 WeakPolarHBondContact O-CD 3.31Å; L605-R609 WeakPolarHBondContact O-CG 3.38Å; L605-R609 PolarHBondContact O-N 3Å; A606-R609 PolarHBondContact O-N 3.03Å; N607-R609 VanDerWaalsContact C-N 3.32Å; N607-R609 PolarHBondContact O-N 3.19Å; R609-L611 PolarHBondContact O-N 3.04Å; R609-R612 WeakPolarHBondContact O-CB 3.36Å; R609-R612 PolarHBondContact O-N 2.84Å; R609-R612 VanDerWaalsContact O-N 3.11Å; R609-V613 PolarHBondContact O-N 3.46Å; R609-P738 PolarHBondContact NE-O 3.37Å; R609-P738 VanDerWaalsContact NE-O 3.14Å; R609-V742 HydrophobicContact CG-CG2 3.54Å
610	Q	56.5	Low	66.2	Low	61 Å²	61	79.1 Å²	79.1	29%	0.285	39%	0.393	S	S	.	.	H	α-helix	trans	-64.4	-34.8	170.4	-164.3	71	57.6	0	0	110	A606 T614 L650	A606-Q610 WeakPolarHBondContact O-CB 3.36Å; A606-Q610 PolarHBondContact O-N 2.85Å; Q610-T614 VanDerWaalsContact O-CB 3.26Å; Q610-T614 WeakPolarHBondContact O-CB 3.45Å; Q610-T614 PolarHBondContact O-N 2.9Å; Q610-T614 PolarHBondContact O-OG1 2.91Å; Q610-L650 PolarHBondContact NE2-O 2.7Å; Q610-L650 PolarHBondContact OE1-O 3.25Å
611	L	62.3	Low	68.1	Low	87 Å²	87	76.7 Å²	76.7	46%	0.455	40%	0.4	S	S	.	.	H	α-helix	trans	-60.5	-46.5	168.3	-74.3	166.1	0	0	0	110.6	N607 N608 R609 V613 T614 E615	N607-L611 WeakPolarHBondContact O-CA 3.35Å; N607-L611 WeakPolarHBondContact O-CB 3.11Å; N607-L611 WeakPolarHBondContact O-CD1 3.45Å; N607-L611 WeakPolarHBondContact O-CG 3.48Å; N607-L611 PolarHBondContact O-N 2.9Å; N608-L611 WeakPolarHBondContact O-CB 3.46Å; R609-L611 PolarHBondContact O-N 3.04Å; L611-V613 PolarHBondContact O-N 3.14Å; L611-T614 CarbonylContact O-C 3.5Å; L611-T614 WeakPolarHBondContact O-CB 3.43Å; L611-T614 PolarHBondContact O-N 2.86Å; L611-T614 VanDerWaalsContact O-N 3.1Å; L611-E615 VanDerWaalsContact O-CB 3.31Å; L611-E615 WeakPolarHBondContact O-CB 3.42Å; L611-E615 VanDerWaalsContact O-CG 3.24Å; L611-E615 WeakPolarHBondContact O-CG 3.47Å; L611-E615 PolarHBondContact O-N 2.85Å
612	R	78.9	Confident	70.4	Confident	60 Å²	60	72.1 Å²	72.1	23%	0.226	38%	0.375	C	S	.	.	H	α-helix	trans	-57.9	-45.7	176.1	-73.8	-61	-61.9	-89.8	-0.9	113.1	N608 R609 T614 E615 F616 I745 D746 E749	N608-R612 WeakPolarHBondContact O-CG 3.5Å; N608-R612 PolarHBondContact O-N 2.9Å; R609-R612 WeakPolarHBondContact O-CB 3.36Å; R609-R612 PolarHBondContact O-N 2.84Å; R609-R612 VanDerWaalsContact O-N 3.11Å; R612-T614 VanDerWaalsContact C-N 3.31Å; R612-T614 PolarHBondContact O-N 2.91Å; R612-E615 PolarHBondContact O-N 3.38Å; R612-F616 WeakPolarHBondContact O-CB 3.28Å; R612-F616 PolarHBondContact O-N 2.81Å; R612-I745 HydrophobicContact CB-CD1 4.36Å; R612-D746 IonicContact CZ-OD1 2.65Å; R612-D746 VanDerWaalsContact CZ-OD1 3.22Å; R612-D746 IonicContact NH1-OD1 3.71Å; R612-D746 PolarHBondContact NH1-OD1 2.93Å; R612-D746 IonicContact NH2-OD1 2.9Å; R612-D746 PolarHBondContact NH2-OD1 3.08Å; R612-E749 IonicContact CZ-OE2 2.67Å; R612-E749 IonicContact NH2-OE1 2.64Å; R612-E749 IonicContact NH2-OE2 3.22Å; R612-E749 PolarHBondContact NH2-OE2 2.9Å
613	V	82.1	Confident	72.7	Confident	6 Å²	6	72.1 Å²	72.1	4%	0.036	38%	0.376	C	S	.	.	H	α-helix	trans	-63.8	-39.4	175.4	174.2	0	0	0	0	111.3	R609 L611 K617 P624 G651 F652 I745	R609-V613 PolarHBondContact O-N 3.46Å; L611-V613 PolarHBondContact O-N 3.14Å; V613-K617 WeakPolarHBondContact O-CB 3.33Å; V613-K617 PolarHBondContact O-N 3.3Å; V613-P624 HydrophobicContact CG1-CG 4.17Å; V613-P624 HydrophobicContact CG2-CG 4.49Å; V613-G651 WeakPolarHBondContact CG1-O 3.45Å; V613-F652 HydrophobicContact CG2-CD2 4.27Å; V613-F652 HydrophobicContact CG2-CE2 3.98Å; V613-I745 HydrophobicContact CG2-CD1 3.57Å
614	T	83.3	Confident	75.2	Confident	78 Å²	78	68.4 Å²	68.4	48%	0.479	36%	0.357	S	S	.	.	H	α-helix	trans	-68.7	-37.7	177.6	-56.4	0	0	0	0	111.8	Q610 L611 R612 K617 R618	Q610-T614 VanDerWaalsContact O-CB 3.26Å; Q610-T614 WeakPolarHBondContact O-CB 3.45Å; Q610-T614 PolarHBondContact O-N 2.9Å; Q610-T614 PolarHBondContact O-OG1 2.91Å; L611-T614 CarbonylContact O-C 3.5Å; L611-T614 WeakPolarHBondContact O-CB 3.43Å; L611-T614 PolarHBondContact O-N 2.86Å; L611-T614 VanDerWaalsContact O-N 3.1Å; R612-T614 VanDerWaalsContact C-N 3.31Å; R612-T614 PolarHBondContact O-N 2.91Å; T614-K617 PolarHBondContact O-N 2.92Å; T614-R618 WeakPolarHBondContact O-CB 3.3Å; T614-R618 PolarHBondContact O-N 2.79Å
615	E	86.9	Confident	77.7	Confident	86 Å²	86	68.8 Å²	68.8	40%	0.402	34%	0.344	S	S	.	.	H	α-helix	trans	-66.9	-47.8	175.3	-77.3	175.9	166.6	0	0	110.7	L611 R612 K617 R618 H619	L611-E615 VanDerWaalsContact O-CB 3.31Å; L611-E615 WeakPolarHBondContact O-CB 3.42Å; L611-E615 VanDerWaalsContact O-CG 3.24Å; L611-E615 WeakPolarHBondContact O-CG 3.47Å; L611-E615 PolarHBondContact O-N 2.85Å; R612-E615 PolarHBondContact O-N 3.38Å; E615-K617 VanDerWaalsContact C-N 3.29Å; E615-K617 PolarHBondContact O-N 2.85Å; E615-R618 WeakPolarHBondContact O-CA 3.35Å; E615-R618 WeakPolarHBondContact O-CB 3.47Å; E615-R618 PolarHBondContact O-N 3.41Å; E615-H619 PolarHBondContact O-CD2 3.17Å; E615-H619 PolarHBondContact O-N 2.71Å
616	F	90	Very high	80	Confident	1 Å²	1	65 Å²	65	0%	0.004	32%	0.324	C	S	.	.	H	α-helix	trans	-52.5	-50.7	171.9	-177.6	-83.7	0	0	0	110.4	R612 R618 H619 E620 R622 P624 H676 I745 I748 E749 L752	R612-F616 WeakPolarHBondContact O-CB 3.28Å; R612-F616 PolarHBondContact O-N 2.81Å; F616-R618 VanDerWaalsContact C-N 3.28Å; F616-R618 PolarHBondContact O-N 2.93Å; F616-H619 PolarHBondContact O-N 3Å; F616-H619 VanDerWaalsContact O-N 3.12Å; F616-E620 HydrophobicContact CD1-CB 4.28Å; F616-E620 HydrophobicContact CD1-CG 4.15Å; F616-E620 HydrophobicContact CD2-CG 4.15Å; F616-E620 HydrophobicContact CE1-CB 3.91Å; F616-E620 HydrophobicContact CE1-CG 3.81Å; F616-E620 HydrophobicContact CE2-CG 3.81Å; F616-E620 HydrophobicContact CG-CG 4.32Å; F616-E620 HydrophobicContact CZ-CB 4.19Å; F616-E620 HydrophobicContact CZ-CG 3.64Å; F616-E620 WeakPolarHBondContact O-CB 3.21Å; F616-E620 PolarHBondContact O-N 3.38Å; F616-R622 WeakPolarHBondContact CD1-O 3.36Å; F616-P624 HydrophobicContact CD1-CB 3.99Å; F616-P624 HydrophobicContact CD1-CG 4.2Å; F616-P624 HydrophobicContact CE1-CB 3.87Å; F616-P624 HydrophobicContact CG-CB 4.46Å; F616-P624 HydrophobicContact CZ-CB 4.23Å; F616-H676 AromaticContact CZ-NE2 3.86Å; F616-I745 HydrophobicContact CD2-CG2 4.2Å; F616-I748 HydrophobicContact CE2-CB 4.4Å; F616-I748 HydrophobicContact CE2-CG2 3.67Å; F616-I748 HydrophobicContact CZ-CG2 3.85Å; F616-E749 HydrophobicContact CD2-CG 3.79Å; F616-E749 HydrophobicContact CE2-CG 4.08Å; F616-L752 HydrophobicContact CE2-CD1 4.19Å; F616-L752 HydrophobicContact CZ-CD1 4.25Å
617	K	91.8	Very high	82.7	Confident	100 Å²	100	63 Å²	63	44%	0.435	31%	0.307	S	S	.	.	H	α-helix	trans	-59.2	-38.4	177.2	-172.3	-174.1	-165	139.8	0	112.8	V613 T614 E615 H619 G621 R622 N623	V613-K617 WeakPolarHBondContact O-CB 3.33Å; V613-K617 PolarHBondContact O-N 3.3Å; T614-K617 PolarHBondContact O-N 2.92Å; E615-K617 VanDerWaalsContact C-N 3.29Å; E615-K617 PolarHBondContact O-N 2.85Å; K617-H619 VanDerWaalsContact C-N 3.35Å; K617-G621 WeakPolarHBondContact O-CA 3.26Å; K617-G621 PolarHBondContact O-N 3.22Å; K617-R622 WeakPolarHBondContact CA-O 3.38Å; K617-N623 WeakPolarHBondContact CD-OD1 3.48Å; K617-N623 WeakPolarHBondContact CE-OD1 3.26Å; K617-N623 PolarHBondContact NZ-OD1 3.47Å
618	R	90.1	Very high	85.1	Confident	185 Å²	185	58.9 Å²	58.9	70%	0.698	29%	0.285	S	S	*	.	H	α-helix	trans	-67.2	-35.7	178.1	-173.8	-179.3	69.7	88.3	-5.8	112	T614 E615 F616	T614-R618 WeakPolarHBondContact O-CB 3.3Å; T614-R618 PolarHBondContact O-N 2.79Å; E615-R618 WeakPolarHBondContact O-CA 3.35Å; E615-R618 WeakPolarHBondContact O-CB 3.47Å; E615-R618 PolarHBondContact O-N 3.41Å; F616-R618 VanDerWaalsContact C-N 3.28Å; F616-R618 PolarHBondContact O-N 2.93Å
619	H	89.4	Confident	87.1	Confident	114 Å²	114	53.9 Å²	53.9	53%	0.528	26%	0.259	S	S	.	.	H	α-helix	trans	-83.2	-43	-179.1	-75.3	-136.6	0	0	0	112.3	E615 F616 K617	E615-H619 PolarHBondContact O-CD2 3.17Å; E615-H619 PolarHBondContact O-N 2.71Å; F616-H619 PolarHBondContact O-N 3Å; F616-H619 VanDerWaalsContact O-N 3.12Å; K617-H619 VanDerWaalsContact C-N 3.35Å
620	E	91.8	Very high	88.9	Confident	51 Å²	51	52.8 Å²	52.8	24%	0.238	26%	0.255	C	S	.	.	H	α-helix	trans	-94.7	-11	-174.7	-57.7	-51.9	132.6	0	0	113.9	F616 R622 L752 R756	F616-E620 HydrophobicContact CD1-CB 4.28Å; F616-E620 HydrophobicContact CD1-CG 4.15Å; F616-E620 HydrophobicContact CD2-CG 4.15Å; F616-E620 HydrophobicContact CE1-CB 3.91Å; F616-E620 HydrophobicContact CE1-CG 3.81Å; F616-E620 HydrophobicContact CE2-CG 3.81Å; F616-E620 HydrophobicContact CG-CG 4.32Å; F616-E620 HydrophobicContact CZ-CB 4.19Å; F616-E620 HydrophobicContact CZ-CG 3.64Å; F616-E620 WeakPolarHBondContact O-CB 3.21Å; F616-E620 PolarHBondContact O-N 3.38Å; E620-R622 PolarHBondContact O-N 3.01Å; E620-L752 HydrophobicContact CG-CD1 4.11Å; E620-R756 IonicContact OE1-CZ 3.36Å; E620-R756 IonicContact OE1-NH1 3.32Å; E620-R756 PolarHBondContact OE1-NH1 2.95Å; E620-R756 IonicContact OE1-NH2 2.65Å; E620-R756 PolarHBondContact OE1-NH2 3.11Å; E620-R756 IonicContact OE2-CZ 3.89Å; E620-R756 IonicContact OE2-NH2 2.81Å; E620-R756 PolarHBondContact OE2-NH2 3.15Å
621	G	93.7	Very high	90.8	Very high	67 Å²	67	50.3 Å²	50.3	69%	0.691	24%	0.243	S	C	*	.	S	Bend	trans	76.4	1.4	-179.6	0	0	0	0	0	115.2	K617	K617-G621 WeakPolarHBondContact O-CA 3.26Å; K617-G621 PolarHBondContact O-N 3.22Å
622	R	94.9	Very high	92.4	Very high	91 Å²	91	46.3 Å²	46.3	34%	0.343	22%	0.223	S	C	.	.	S	Bend	trans	-148.6	160.1	179.4	64.5	-177.1	-171.8	171.7	5.1	111.8	F616 K617 E620 D674 H676	F616-R622 WeakPolarHBondContact CD1-O 3.36Å; K617-R622 WeakPolarHBondContact CA-O 3.38Å; E620-R622 PolarHBondContact O-N 3.01Å; R622-D674 IonicContact CZ-OD2 3.42Å; R622-D674 IonicContact NH1-OD2 3.27Å; R622-D674 PolarHBondContact NH1-OD2 3.33Å; R622-D674 IonicContact NH2-OD2 3.21Å; R622-D674 PolarHBondContact NH2-OD2 3.34Å; R622-H676 VanDerWaalsContact CZ-CE1 3.46Å; R622-H676 PolarHBondContact NE-CE1 3.04Å; R622-H676 PolarHBondContact NE-NE2 3.15Å; R622-H676 PolarHBondContact NH2-CE1 2.79Å; R622-H676 PolarHBondContact NH2-NE2 3.24Å
623	N	94.8	Very high	93.2	Very high	30 Å²	30	43.6 Å²	43.6	16%	0.16	21%	0.213	C	C	.	.			trans	-65.9	153.6	175	-65.9	-17.2	0	0	0	110.4	K617 R625 D653 H676	K617-N623 WeakPolarHBondContact CD-OD1 3.48Å; K617-N623 WeakPolarHBondContact CE-OD1 3.26Å; K617-N623 PolarHBondContact NZ-OD1 3.47Å; N623-R625 PolarHBondContact O-N 3.06Å; N623-D653 HydrophobicContact CB-CB 4.37Å; N623-D653 PolarHBondContact ND2-OD1 2.81Å; N623-H676 PolarHBondContact O-CE1 3.01Å
624	P	95.6	Very high	93.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.212	C	C	.	.			trans	-62.3	131	167.4	28.3	-32.5	0	0	0	108.6	V613 F616 F652 D653	V613-P624 HydrophobicContact CG1-CG 4.17Å; V613-P624 HydrophobicContact CG2-CG 4.49Å; F616-P624 HydrophobicContact CD1-CB 3.99Å; F616-P624 HydrophobicContact CD1-CG 4.2Å; F616-P624 HydrophobicContact CE1-CB 3.87Å; F616-P624 HydrophobicContact CG-CB 4.46Å; F616-P624 HydrophobicContact CZ-CB 4.23Å; P624-F652 HydrophobicContact CB-CD1 3.74Å; P624-F652 HydrophobicContact CB-CE1 3.7Å; P624-F652 HydrophobicContact CB-CG 4.44Å; P624-F652 HydrophobicContact CB-CZ 4.38Å; P624-F652 HydrophobicContact CG-CD1 3.66Å; P624-F652 HydrophobicContact CG-CD2 4.14Å; P624-F652 HydrophobicContact CG-CE1 3.79Å; P624-F652 HydrophobicContact CG-CE2 4.24Å; P624-F652 HydrophobicContact CG-CG 3.88Å; P624-F652 HydrophobicContact CG-CZ 4.1Å; P624-F652 WeakPolarHBondContact O-CA 3.46Å; P624-D653 PolarHBondContact O-N 2.64Å
625	R	97.7	Very high	94.3	Very high	75 Å²	75	40 Å²	40	28%	0.283	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	123.2	-171.7	-166.5	174.6	-173.9	166	8.1	111.1	N623 D653 D655 A673 V675 H676 C677	N623-R625 PolarHBondContact O-N 3.06Å; R625-D653 CarbonylContact C-O 3.57Å; R625-D653 VanDerWaalsContact CA-O 3.25Å; R625-D653 WeakPolarHBondContact CA-O 3.42Å; R625-D653 HydrophobicContact CB-CB 4.2Å; R625-D653 HydrophobicContact CG-CB 3.9Å; R625-D653 WeakPolarHBondContact CG-O 3.46Å; R625-D655 IonicContact CZ-OD1 3Å; R625-D655 IonicContact CZ-OD2 3.82Å; R625-D655 VanDerWaalsContact CZ-OD2 3.26Å; R625-D655 IonicContact NE-OD2 2.67Å; R625-D655 PolarHBondContact NE-OD2 3.39Å; R625-D655 IonicContact NH2-OD1 2.72Å; R625-D655 PolarHBondContact NH2-OD1 3.5Å; R625-D655 IonicContact NH2-OD2 2.84Å; R625-D655 PolarHBondContact NH2-OD2 3.34Å; R625-A673 PolarHBondContact NE-O 3.23Å; R625-A673 PolarHBondContact NH1-O 3.43Å; R625-V675 HydrophobicContact CG-CB 4.4Å; R625-V675 HydrophobicContact CG-CG1 4.04Å; R625-H676 PolarHBondContact N-ND1 3.48Å; R625-H676 PolarHBondContact O-N 3.04Å; R625-C677 PolarHBondContact O-N 3.07Å
626	L	97.7	Very high	94.6	Very high	3 Å²	3	40.9 Å²	40.9	2%	0.016	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125	-173.8	176.6	67.5	0	0	0	110.4	V628 F647 F652 D653 V654 D655 C677 I709	L626-V628 HydrophobicContact CD2-CG2 3.84Å; L626-V628 HydrophobicContact CG-CG2 4.04Å; L626-F647 HydrophobicContact CD2-CD1 3.64Å; L626-F647 HydrophobicContact CD2-CE1 3.94Å; L626-F647 HydrophobicContact CD2-CG 4.26Å; L626-F652 HydrophobicContact CB-CD1 4.39Å; L626-D653 PolarHBondContact N-O 2.92Å; L626-V654 WeakPolarHBondContact O-CA 3.35Å; L626-D655 PolarHBondContact O-N 3.09Å; L626-C677 WeakPolarHBondContact CA-O 3.45Å; L626-C677 HydrophobicContact CD1-CB 3.97Å; L626-I709 HydrophobicContact CD1-CD1 4.28Å
627	L	98.3	Very high	94.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	111.1	164.5	175.1	62.2	0	0	0	109.2	A629 D655 V666 Q669 A670 V675 C677 V678 G679	L627-A629 HydrophobicContact CG-CB 4.35Å; L627-D655 WeakPolarHBondContact CA-O 3.31Å; L627-D655 HydrophobicContact CD1-CB 3.85Å; L627-V666 HydrophobicContact CD2-CG1 4.08Å; L627-Q669 HydrophobicContact CD1-CG 4.31Å; L627-Q669 HydrophobicContact CD2-CB 4.32Å; L627-Q669 HydrophobicContact CD2-CG 4.17Å; L627-A670 HydrophobicContact CD2-CB 3.86Å; L627-V675 HydrophobicContact CB-CB 4.47Å; L627-V675 HydrophobicContact CB-CG1 4Å; L627-V675 HydrophobicContact CB-CG2 4.16Å; L627-C677 PolarHBondContact N-O 2.99Å; L627-V678 HydrophobicContact CB-CG2 4.43Å; L627-V678 HydrophobicContact CD2-CG1 4.41Å; L627-V678 HydrophobicContact CD2-CG2 4.37Å; L627-V678 CarbonylContact O-C 3.52Å; L627-V678 WeakPolarHBondContact O-CA 3.41Å; L627-G679 PolarHBondContact O-N 2.93Å
628	V	97.8	Very high	94.9	Very high	7 Å²	7	38.2 Å²	38.2	4%	0.042	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	111.9	170.2	-176.7	0	0	0	0	108.5	L626 A640 I643 A644 V654 D655 G657 G679	L626-V628 HydrophobicContact CD2-CG2 3.84Å; L626-V628 HydrophobicContact CG-CG2 4.04Å; V628-A640 HydrophobicContact CG1-CB 3.73Å; V628-I643 HydrophobicContact CG2-CG2 4.28Å; V628-A644 HydrophobicContact CG2-CB 4.32Å; V628-V654 HydrophobicContact CG2-CG1 3.95Å; V628-D655 PolarHBondContact N-O 3.5Å; V628-G657 PolarHBondContact O-N 2.9Å; V628-G679 CarbonylContact C-O 3.56Å; V628-G679 WeakPolarHBondContact CA-O 3.43Å
629	A	97.2	Very high	95	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.1	-169.8	0	0	0	0	0	113.2	L627 V666 V678 G679 S681	L627-A629 HydrophobicContact CG-CB 4.35Å; A629-V666 HydrophobicContact CB-CG1 3.63Å; A629-V666 HydrophobicContact CB-CG2 4.14Å; A629-V678 HydrophobicContact CB-CG1 4.03Å; A629-G679 PolarHBondContact N-O 3.48Å; A629-S681 PolarHBondContact O-N 3.4Å
630	K	96.7	Very high	95.3	Very high	7 Å²	7	26 Å²	26	3%	0.03	15%	0.146	C	C	.	.			trans	-113.9	130.2	166.8	-65.3	-62.9	-57.3	-177	0	108.1	D634 H636 A640 L659 S681	K630-D634 WeakPolarHBondContact CE-O 3.49Å; K630-D634 IonicContact NZ-OD1 2.82Å; K630-D634 IonicContact NZ-OD2 3.01Å; K630-D634 PolarHBondContact NZ-OD2 3.27Å; K630-H636 WeakPolarHBondContact CE-O 3.47Å; K630-H636 PolarHBondContact NZ-O 2.82Å; K630-A640 HydrophobicContact CD-CB 4.26Å; K630-L659 HydrophobicContact CB-CD2 4.24Å; K630-L659 HydrophobicContact CG-CD2 4.02Å; K630-S681 WeakPolarHBondContact CD-O 3.4Å; K630-S681 WeakPolarHBondContact CE-O 3.44Å; K630-S681 PolarHBondContact NZ-O 3.4Å
631	M	96.1	Very high	95.4	Very high	9 Å²	9	24.8 Å²	24.8	4%	0.044	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-119.5	151.5	178.5	-69.1	-170.7	-66.8	0	0	111.2	Q661 P663 V666 V680 L690 V691 L694	M631-Q661 VanDerWaalsContact CA-O 3.3Å; M631-Q661 WeakPolarHBondContact CA-O 3.46Å; M631-P663 HydrophobicContact SD-CB 3.93Å; M631-P663 HydrophobicContact SD-CG 3.93Å; M631-V666 HydrophobicContact CG-CB 4.45Å; M631-V666 HydrophobicContact CG-CG2 3.69Å; M631-V666 HydrophobicContact SD-CB 4.47Å; M631-V666 HydrophobicContact SD-CG2 4.31Å; M631-V680 HydrophobicContact CE-CB 4.26Å; M631-V680 HydrophobicContact CE-CG1 3.5Å; M631-V680 VanDerWaalsContact CE-CG1 3.5Å; M631-V680 HydrophobicContact CE-CG2 3.69Å; M631-L690 HydrophobicContact CB-CB 4.29Å; M631-L690 HydrophobicContact CB-CD1 4.03Å; M631-L690 HydrophobicContact CE-CB 4.05Å; M631-L690 HydrophobicContact SD-CB 4.47Å; M631-V691 HydrophobicContact CE-CG2 4.12Å; M631-L694 HydrophobicContact CE-CB 4.13Å; M631-L694 HydrophobicContact CE-CD2 3.91Å; M631-L694 HydrophobicContact SD-CB 3.92Å; M631-L694 HydrophobicContact SD-CD2 4.05Å; M631-L694 HydrophobicContact SD-CG 4.38Å
632	G	95.6	Very high	95.4	Very high	3 Å²	3	22 Å²	22	3%	0.031	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.4	-157.8	-179.2	0	0	0	0	0	111.9	D634 F660 Q661	G632-D634 VanDerWaalsContact C-N 3.26Å; G632-D634 PolarHBondContact O-N 3.37Å; G632-F660 VanDerWaalsContact O-CA 3.29Å; G632-F660 WeakPolarHBondContact O-CA 3.46Å; G632-Q661 PolarHBondContact N-O 2.76Å
633	Q	95.8	Very high	95.3	Very high	3 Å²	3	20 Å²	20	1%	0.014	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	6.9	-176.4	-57.9	-49.7	-65.1	0	0	114.3	L144 R156 V157 D160 G635	L144-Q633 HydrophobicContact CB-CB 3.63Å; L144-Q633 HydrophobicContact CD1-CB 4.35Å; R156-Q633 PolarHBondContact O-NE2 3.12Å; V157-Q633 HydrophobicContact CB-CG 4.24Å; V157-Q633 HydrophobicContact CG1-CG 3.68Å; D160-Q633 HydrophobicContact CB-CB 4.38Å; D160-Q633 HydrophobicContact CB-CG 4.4Å; D160-Q633 PolarHBondContact OD1-N 2.99Å; D160-Q633 WeakPolarHBondContact OD2-CG 3.36Å; D160-Q633 PolarHBondContact OD2-N 3.1Å; Q633-G635 PolarHBondContact O-N 2.92Å; Q633-G635 VanDerWaalsContact O-N 3.15Å
634	D	94.4	Very high	95.3	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.016	10%	0.098	C	C	.	.			trans	-66.2	110	-175.9	-174	5.2	0	0	0	113	K630 G632 H636 L683 A684	K630-D634 WeakPolarHBondContact CE-O 3.49Å; K630-D634 IonicContact NZ-OD1 2.82Å; K630-D634 IonicContact NZ-OD2 3.01Å; K630-D634 PolarHBondContact NZ-OD2 3.27Å; G632-D634 VanDerWaalsContact C-N 3.26Å; G632-D634 PolarHBondContact O-N 3.37Å; D634-H636 WeakPolarHBondContact OD1-CB 3.4Å; D634-H636 IonicContact OD1-CE1 2.69Å; D634-H636 IonicContact OD1-CG 3.35Å; D634-H636 PolarHBondContact OD1-N 3.04Å; D634-H636 IonicContact OD1-ND1 2.69Å; D634-H636 PolarHBondContact OD1-ND1 2.81Å; D634-L683 PolarHBondContact OD2-N 3.17Å; D634-A684 HydrophobicContact CB-CB 3.76Å
635	G	93.4	Very high	95.1	Very high	4 Å²	4	18.8 Å²	18.8	4%	0.041	10%	0.099	C	C	.	.			trans	-86.1	-5.8	179.3	0	0	0	0	0	115.3	N233 Q633 D637	N233-G635 PolarHBondContact ND2-O 3.49Å; Q633-G635 PolarHBondContact O-N 2.92Å; Q633-G635 VanDerWaalsContact O-N 3.15Å; G635-D637 PolarHBondContact O-N 3.23Å; G635-D637 VanDerWaalsContact O-N 3.15Å
636	H	93.3	Very high	94.8	Very high	105 Å²	105	15.2 Å²	15.2	49%	0.486	9%	0.085	S	C	.	.			trans	-72.4	109.1	-177.2	-59.7	92	0	0	0	111	K630 D634 L683	K630-H636 WeakPolarHBondContact CE-O 3.47Å; K630-H636 PolarHBondContact NZ-O 2.82Å; D634-H636 WeakPolarHBondContact OD1-CB 3.4Å; D634-H636 IonicContact OD1-CE1 2.69Å; D634-H636 IonicContact OD1-CG 3.35Å; D634-H636 PolarHBondContact OD1-N 3.04Å; D634-H636 IonicContact OD1-ND1 2.69Å; D634-H636 PolarHBondContact OD1-ND1 2.81Å; H636-L683 HydrophobicContact CB-CB 3.95Å; H636-L683 HydrophobicContact CB-CD1 4.21Å; H636-L683 HydrophobicContact CB-CD2 3.96Å; H636-L683 HydrophobicContact CB-CG 4.27Å
637	D	94.3	Very high	94.5	Very high	14 Å²	14	15.3 Å²	15.3	8%	0.075	9%	0.085	C	C	.	.			trans	-115.1	-9.7	-174.7	65.4	3.4	0	0	0	114.4	N233 K471 G635 G639 A640 K641	N233-D637 PolarHBondContact ND2-OD2 3.47Å; K471-D637 IonicContact NZ-OD1 3.92Å; K471-D637 IonicContact NZ-OD2 3.5Å; K471-D637 PolarHBondContact NZ-OD2 2.68Å; G635-D637 PolarHBondContact O-N 3.23Å; G635-D637 VanDerWaalsContact O-N 3.15Å; D637-G639 PolarHBondContact O-N 2.89Å; D637-A640 PolarHBondContact O-N 3.21Å; D637-K641 HydrophobicContact CB-CG 4.27Å; D637-K641 WeakPolarHBondContact O-CB 3.32Å; D637-K641 VanDerWaalsContact O-CG 3.23Å; D637-K641 WeakPolarHBondContact O-CG 3.34Å; D637-K641 PolarHBondContact O-N 2.97Å
638	R	94.5	Very high	94.2	Very high	31 Å²	31	16.6 Å²	16.6	12%	0.117	10%	0.096	C	C	.	.	H	α-helix	trans	-50.8	-55.2	-179.6	-179.4	-178.4	176.3	176.9	-6.5	112.7	E272 A273 W362 A478 K641 V642	E272-R638 VanDerWaalsContact O-CD 3.27Å; E272-R638 WeakPolarHBondContact O-CD 3.49Å; E272-R638 PolarHBondContact O-NH1 3.4Å; A273-R638 WeakPolarHBondContact O-CD 3.04Å; W362-R638 VanDerWaalsContact CD1-CZ 3.48Å; W362-R638 VanDerWaalsContact CD2-NH1 3.34Å; W362-R638 VanDerWaalsContact CE2-CZ 3.45Å; W362-R638 VanDerWaalsContact NE1-NH2 3.15Å; A478-R638 HydrophobicContact CB-CG 4.25Å; R638-K641 PolarHBondContact O-N 2.76Å; R638-V642 WeakPolarHBondContact O-CB 3.39Å; R638-V642 VanDerWaalsContact O-CG2 3.31Å; R638-V642 WeakPolarHBondContact O-CG2 3.42Å; R638-V642 PolarHBondContact O-N 3.44Å
639	G	93	Very high	93.7	Very high	37 Å²	37	17 Å²	17	38%	0.381	10%	0.098	S	C	.	.	H	α-helix	trans	-61.7	-46.7	-180	0	0	0	0	0	112.2	D637 K641 V642 I643	D637-G639 PolarHBondContact O-N 2.89Å; G639-K641 VanDerWaalsContact C-N 3.34Å; G639-K641 PolarHBondContact O-N 3.13Å; G639-V642 PolarHBondContact O-N 3.33Å; G639-I643 WeakPolarHBondContact O-CB 3.49Å; G639-I643 VanDerWaalsContact O-CG1 3.28Å; G639-I643 WeakPolarHBondContact O-CG1 3.46Å; G639-I643 PolarHBondContact O-N 3.47Å
640	A	94.4	Very high	93.2	Very high	7 Å²	7	18.2 Å²	18.2	6%	0.058	11%	0.105	C	C	.	.	H	α-helix	trans	-58	-44.5	177	0	0	0	0	0	112.3	V628 K630 D637 A644	V628-A640 HydrophobicContact CG1-CB 3.73Å; K630-A640 HydrophobicContact CD-CB 4.26Å; D637-A640 PolarHBondContact O-N 3.21Å; A640-A644 VanDerWaalsContact O-CB 3.3Å; A640-A644 WeakPolarHBondContact O-CB 3.39Å; A640-A644 PolarHBondContact O-N 3.31Å
641	K	94.1	Very high	92.8	Very high	24 Å²	24	18.9 Å²	18.9	10%	0.104	11%	0.113	C	C	.	.	H	α-helix	trans	-68.3	-42.9	179.6	-72	-70.3	-167.8	163.4	0	112.7	E475 R587 D637 R638 G639 A644 T645 I656	E475-K641 WeakPolarHBondContact OE1-CE 3.29Å; E475-K641 IonicContact OE1-NZ 3.97Å; R587-K641 PolarHBondContact O-NZ 2.88Å; D637-K641 HydrophobicContact CB-CG 4.27Å; D637-K641 WeakPolarHBondContact O-CB 3.32Å; D637-K641 VanDerWaalsContact O-CG 3.23Å; D637-K641 WeakPolarHBondContact O-CG 3.34Å; D637-K641 PolarHBondContact O-N 2.97Å; R638-K641 PolarHBondContact O-N 2.76Å; G639-K641 VanDerWaalsContact C-N 3.34Å; G639-K641 PolarHBondContact O-N 3.13Å; K641-A644 PolarHBondContact O-N 3.39Å; K641-T645 WeakPolarHBondContact O-CG2 3.46Å; K641-T645 PolarHBondContact O-N 2.91Å; K641-I656 HydrophobicContact CD-CD1 4.33Å
642	V	93.7	Very high	92.7	Very high	8 Å²	8	18.9 Å²	18.9	5%	0.048	11%	0.113	C	C	.	.	H	α-helix	trans	-65.6	-41.7	177.2	166.5	0	0	0	0	111.1	A478 Q482 R638 G639 T645 G646 I737	A478-V642 HydrophobicContact CB-CG2 3.99Å; Q482-V642 HydrophobicContact CB-CG1 3.64Å; Q482-V642 HydrophobicContact CG-CG1 3.6Å; R638-V642 WeakPolarHBondContact O-CB 3.39Å; R638-V642 VanDerWaalsContact O-CG2 3.31Å; R638-V642 WeakPolarHBondContact O-CG2 3.42Å; R638-V642 PolarHBondContact O-N 3.44Å; G639-V642 PolarHBondContact O-N 3.33Å; V642-T645 WeakPolarHBondContact O-CG2 3.46Å; V642-G646 PolarHBondContact O-N 3.2Å; V642-I737 HydrophobicContact CG1-CD1 3.68Å
643	I	94	Very high	92.7	Very high	51 Å²	51	22 Å²	22	26%	0.262	13%	0.129	S	C	.	.	H	α-helix	trans	-61.1	-46.3	171	-70.1	-64.4	0	0	0	110.6	V628 G639 G646 F647 I737	V628-I643 HydrophobicContact CG2-CG2 4.28Å; G639-I643 WeakPolarHBondContact O-CB 3.49Å; G639-I643 VanDerWaalsContact O-CG1 3.28Å; G639-I643 WeakPolarHBondContact O-CG1 3.46Å; G639-I643 PolarHBondContact O-N 3.47Å; I643-G646 PolarHBondContact O-N 3.43Å; I643-F647 HydrophobicContact CD1-CE2 4.19Å; I643-F647 HydrophobicContact CG2-CD2 3.85Å; I643-F647 HydrophobicContact CG2-CE2 3.95Å; I643-F647 HydrophobicContact CG2-CG 4.43Å; I643-F647 WeakPolarHBondContact O-CB 3.34Å; I643-F647 WeakPolarHBondContact O-CD2 3.48Å; I643-F647 PolarHBondContact O-N 3.19Å; I643-I737 HydrophobicContact CD1-CG1 4.1Å
644	A	93.9	Very high	92.7	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.8	-49.8	-178.1	0	0	0	0	0	112.5	V628 A640 K641 A648 V654 I656	V628-A644 HydrophobicContact CG2-CB 4.32Å; A640-A644 VanDerWaalsContact O-CB 3.3Å; A640-A644 WeakPolarHBondContact O-CB 3.39Å; A640-A644 PolarHBondContact O-N 3.31Å; K641-A644 PolarHBondContact O-N 3.39Å; A644-A648 VanDerWaalsContact O-CB 3.26Å; A644-A648 WeakPolarHBondContact O-CB 3.08Å; A644-A648 PolarHBondContact O-N 3Å; A644-V654 HydrophobicContact CB-CG1 3.79Å; A644-I656 HydrophobicContact CB-CD1 3.79Å; A644-I656 HydrophobicContact CB-CG1 3.85Å
645	T	92	Very high	92.8	Very high	4 Å²	4	24.9 Å²	24.9	3%	0.025	15%	0.146	C	C	.	.	H	α-helix	trans	-66.8	-37.6	176.6	-175.6	0	0	0	0	112.2	A479 V589 K641 V642 A648 D649	A479-T645 HydrophobicContact CB-CG2 4.09Å; V589-T645 WeakPolarHBondContact O-CB 3.36Å; V589-T645 PolarHBondContact O-OG1 3.09Å; K641-T645 WeakPolarHBondContact O-CG2 3.46Å; K641-T645 PolarHBondContact O-N 2.91Å; V642-T645 WeakPolarHBondContact O-CG2 3.46Å; T645-A648 PolarHBondContact O-N 3.13Å; T645-D649 WeakPolarHBondContact O-CB 3.43Å; T645-D649 VanDerWaalsContact O-CG 3.29Å; T645-D649 PolarHBondContact O-N 2.8Å
646	G	90.4	Very high	92.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-67.7	-42.8	-179.6	0	0	0	0	0	112.5	V642 I643 D649 L650	V642-G646 PolarHBondContact O-N 3.2Å; I643-G646 PolarHBondContact O-N 3.43Å; G646-D649 PolarHBondContact O-N 2.87Å; G646-L650 VanDerWaalsContact O-CG 3.28Å; G646-L650 WeakPolarHBondContact O-CG 3.34Å; G646-L650 PolarHBondContact O-N 2.82Å
647	F	92.4	Very high	92.9	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.018	13%	0.132	C	C	.	.	H	α-helix	trans	-69.1	-38.9	175.9	-85.2	-124.7	0	0	0	111.6	L626 I643 L650 G651 F652 V654 I737 A740 A741 V744	L626-F647 HydrophobicContact CD2-CD1 3.64Å; L626-F647 HydrophobicContact CD2-CE1 3.94Å; L626-F647 HydrophobicContact CD2-CG 4.26Å; I643-F647 HydrophobicContact CD1-CE2 4.19Å; I643-F647 HydrophobicContact CG2-CD2 3.85Å; I643-F647 HydrophobicContact CG2-CE2 3.95Å; I643-F647 HydrophobicContact CG2-CG 4.43Å; I643-F647 WeakPolarHBondContact O-CB 3.34Å; I643-F647 WeakPolarHBondContact O-CD2 3.48Å; I643-F647 PolarHBondContact O-N 3.19Å; F647-L650 CarbonylContact O-C 3.45Å; F647-L650 PolarHBondContact O-N 3.41Å; F647-G651 PolarHBondContact O-N 2.93Å; F647-G651 VanDerWaalsContact O-N 3.16Å; F647-F652 HydrophobicContact CB-CB 4.13Å; F647-F652 HydrophobicContact CB-CD2 4.22Å; F647-F652 HydrophobicContact CB-CG 4.17Å; F647-F652 AromaticContact CD1-CD1 3.82Å; F647-F652 HydrophobicContact CD1-CD1 3.82Å; F647-F652 AromaticContact CD1-CD2 3.91Å; F647-F652 HydrophobicContact CD1-CD2 3.91Å; F647-F652 AromaticContact CD1-CE1 3.76Å; F647-F652 HydrophobicContact CD1-CE1 3.76Å; F647-F652 AromaticContact CD1-CE2 3.87Å; F647-F652 HydrophobicContact CD1-CE2 3.87Å; F647-F652 AromaticContact CD1-CG 3.86Å; F647-F652 HydrophobicContact CD1-CG 3.86Å; F647-F652 AromaticContact CD1-CZ 3.76Å; F647-F652 HydrophobicContact CD1-CZ 3.76Å; F647-F652 HydrophobicContact CE1-CE1 4.03Å; F647-F652 HydrophobicContact CE1-CE2 4.32Å; F647-F652 AromaticContact CE1-CZ 3.89Å; F647-F652 HydrophobicContact CE1-CZ 3.89Å; F647-F652 HydrophobicContact CG-CD2 4.39Å; F647-F652 HydrophobicContact CG-CG 4.48Å; F647-F652 WeakPolarHBondContact O-CB 3.49Å; F647-F652 PolarHBondContact O-N 2.73Å; F647-V654 HydrophobicContact CB-CG2 3.88Å; F647-I737 HydrophobicContact CD2-CG2 3.76Å; F647-I737 HydrophobicContact CE2-CG2 3.86Å; F647-A740 HydrophobicContact CE2-CB 4.39Å; F647-A740 HydrophobicContact CZ-CB 4.15Å; F647-A741 HydrophobicContact CE1-CB 4.13Å; F647-A741 HydrophobicContact CE2-CB 4.22Å; F647-A741 HydrophobicContact CZ-CB 3.97Å; F647-V744 HydrophobicContact CE1-CB 4.28Å; F647-V744 HydrophobicContact CE1-CG1 4.47Å; F647-V744 HydrophobicContact CE1-CG2 4.21Å; F647-V744 HydrophobicContact CZ-CG2 4.35Å
648	A	91.5	Very high	92.9	Very high	27 Å²	27	24 Å²	24	22%	0.223	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-43.4	173.7	0	0	0	0	0	111.6	M588 A644 T645 L650 G651 V654	M588-A648 HydrophobicContact CE-CB 4.45Å; A644-A648 VanDerWaalsContact O-CB 3.26Å; A644-A648 WeakPolarHBondContact O-CB 3.08Å; A644-A648 PolarHBondContact O-N 3Å; T645-A648 PolarHBondContact O-N 3.13Å; A648-L650 PolarHBondContact O-N 3Å; A648-G651 PolarHBondContact O-N 3.41Å; A648-V654 HydrophobicContact CB-CG2 4.2Å
649	D	87.1	Confident	92.9	Very high	17 Å²	17	24.4 Å²	24.4	9%	0.091	15%	0.152	C	C	.	.	H	α-helix	trans	-62.3	-25.2	176.1	-80.9	2.3	0	0	0	112.9	G591 R594 T645 G646	G591-D649 WeakPolarHBondContact CA-OD1 3.39Å; G591-D649 WeakPolarHBondContact CA-OD2 3.42Å; G591-D649 PolarHBondContact N-OD1 3.36Å; G591-D649 PolarHBondContact N-OD2 2.98Å; R594-D649 HydrophobicContact CB-CB 4.1Å; R594-D649 WeakPolarHBondContact CB-OD2 3.43Å; R594-D649 PolarHBondContact N-OD2 2.87Å; T645-D649 WeakPolarHBondContact O-CB 3.43Å; T645-D649 VanDerWaalsContact O-CG 3.29Å; T645-D649 PolarHBondContact O-N 2.8Å; G646-D649 PolarHBondContact O-N 2.87Å
650	L	86.6	Confident	93	Very high	25 Å²	25	23.9 Å²	23.9	13%	0.131	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-7.4	174.6	-65.2	172.2	0	0	0	113.5	Q610 G646 F647 A648 I737 A741	Q610-L650 PolarHBondContact NE2-O 2.7Å; Q610-L650 PolarHBondContact OE1-O 3.25Å; G646-L650 VanDerWaalsContact O-CG 3.28Å; G646-L650 WeakPolarHBondContact O-CG 3.34Å; G646-L650 PolarHBondContact O-N 2.82Å; F647-L650 CarbonylContact O-C 3.45Å; F647-L650 PolarHBondContact O-N 3.41Å; A648-L650 PolarHBondContact O-N 3Å; L650-I737 HydrophobicContact CD1-CG2 4.29Å; L650-A741 HydrophobicContact CD1-CB 3.64Å
651	G	88.9	Confident	93	Very high	21 Å²	21	24.6 Å²	24.6	22%	0.216	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.9	14.8	173.5	0	0	0	0	0	116.3	V613 F647 A648	V613-G651 WeakPolarHBondContact CG1-O 3.45Å; F647-G651 PolarHBondContact O-N 2.93Å; F647-G651 VanDerWaalsContact O-N 3.16Å; A648-G651 PolarHBondContact O-N 3.41Å
652	F	93.6	Very high	93.2	Very high	8 Å²	8	25 Å²	25	4%	0.035	15%	0.146	C	C	.	.			trans	-73.4	149.5	168.1	-76.6	-113.6	0	0	0	111.2	V613 P624 L626 F647 V654 A741 V744 I745	V613-F652 HydrophobicContact CG2-CD2 4.27Å; V613-F652 HydrophobicContact CG2-CE2 3.98Å; P624-F652 HydrophobicContact CB-CD1 3.74Å; P624-F652 HydrophobicContact CB-CE1 3.7Å; P624-F652 HydrophobicContact CB-CG 4.44Å; P624-F652 HydrophobicContact CB-CZ 4.38Å; P624-F652 HydrophobicContact CG-CD1 3.66Å; P624-F652 HydrophobicContact CG-CD2 4.14Å; P624-F652 HydrophobicContact CG-CE1 3.79Å; P624-F652 HydrophobicContact CG-CE2 4.24Å; P624-F652 HydrophobicContact CG-CG 3.88Å; P624-F652 HydrophobicContact CG-CZ 4.1Å; P624-F652 WeakPolarHBondContact O-CA 3.46Å; L626-F652 HydrophobicContact CB-CD1 4.39Å; F647-F652 HydrophobicContact CB-CB 4.13Å; F647-F652 HydrophobicContact CB-CD2 4.22Å; F647-F652 HydrophobicContact CB-CG 4.17Å; F647-F652 AromaticContact CD1-CD1 3.82Å; F647-F652 HydrophobicContact CD1-CD1 3.82Å; F647-F652 AromaticContact CD1-CD2 3.91Å; F647-F652 HydrophobicContact CD1-CD2 3.91Å; F647-F652 AromaticContact CD1-CE1 3.76Å; F647-F652 HydrophobicContact CD1-CE1 3.76Å; F647-F652 AromaticContact CD1-CE2 3.87Å; F647-F652 HydrophobicContact CD1-CE2 3.87Å; F647-F652 AromaticContact CD1-CG 3.86Å; F647-F652 HydrophobicContact CD1-CG 3.86Å; F647-F652 AromaticContact CD1-CZ 3.76Å; F647-F652 HydrophobicContact CD1-CZ 3.76Å; F647-F652 HydrophobicContact CE1-CE1 4.03Å; F647-F652 HydrophobicContact CE1-CE2 4.32Å; F647-F652 AromaticContact CE1-CZ 3.89Å; F647-F652 HydrophobicContact CE1-CZ 3.89Å; F647-F652 HydrophobicContact CG-CD2 4.39Å; F647-F652 HydrophobicContact CG-CG 4.48Å; F647-F652 WeakPolarHBondContact O-CB 3.49Å; F647-F652 PolarHBondContact O-N 2.73Å; F652-V654 HydrophobicContact CB-CG2 3.78Å; F652-V654 PolarHBondContact O-N 3.25Å; F652-A741 HydrophobicContact CE2-CB 4.05Å; F652-A741 HydrophobicContact CZ-CB 4.38Å; F652-V744 HydrophobicContact CE1-CG1 4.12Å; F652-I745 HydrophobicContact CE1-CG1 4.31Å; F652-I745 HydrophobicContact CE2-CD1 3.99Å; F652-I745 HydrophobicContact CE2-CG1 4.25Å; F652-I745 HydrophobicContact CZ-CD1 3.84Å; F652-I745 HydrophobicContact CZ-CG1 3.59Å
653	D	96	Very high	93.3	Very high	69 Å²	69	25 Å²	25	37%	0.369	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	109.9	161.3	-69.9	-10.9	0	0	0	107.7	N623 P624 R625 L626	N623-D653 HydrophobicContact CB-CB 4.37Å; N623-D653 PolarHBondContact ND2-OD1 2.81Å; P624-D653 PolarHBondContact O-N 2.64Å; R625-D653 CarbonylContact C-O 3.57Å; R625-D653 VanDerWaalsContact CA-O 3.25Å; R625-D653 WeakPolarHBondContact CA-O 3.42Å; R625-D653 HydrophobicContact CB-CB 4.2Å; R625-D653 HydrophobicContact CG-CB 3.9Å; R625-D653 WeakPolarHBondContact CG-O 3.46Å; L626-D653 PolarHBondContact N-O 2.92Å
654	V	95.8	Very high	93.5	Very high	26 Å²	26	27 Å²	27	16%	0.158	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	121.1	-174.6	-175.7	0	0	0	0	110.9	L626 V628 A644 F647 A648 F652	L626-V654 WeakPolarHBondContact O-CA 3.35Å; V628-V654 HydrophobicContact CG2-CG1 3.95Å; A644-V654 HydrophobicContact CB-CG1 3.79Å; F647-V654 HydrophobicContact CB-CG2 3.88Å; A648-V654 HydrophobicContact CB-CG2 4.2Å; F652-V654 HydrophobicContact CB-CG2 3.78Å; F652-V654 PolarHBondContact O-N 3.25Å
655	D	95.9	Very high	93.7	Very high	41 Å²	41	30.2 Å²	30.2	22%	0.219	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	135	167.8	-60.7	-66.2	0	0	0	109.2	R625 L626 L627 V628	R625-D655 IonicContact CZ-OD1 3Å; R625-D655 IonicContact CZ-OD2 3.82Å; R625-D655 VanDerWaalsContact CZ-OD2 3.26Å; R625-D655 IonicContact NE-OD2 2.67Å; R625-D655 PolarHBondContact NE-OD2 3.39Å; R625-D655 IonicContact NH2-OD1 2.72Å; R625-D655 PolarHBondContact NH2-OD1 3.5Å; R625-D655 IonicContact NH2-OD2 2.84Å; R625-D655 PolarHBondContact NH2-OD2 3.34Å; L626-D655 PolarHBondContact O-N 3.09Å; L627-D655 WeakPolarHBondContact CA-O 3.31Å; L627-D655 HydrophobicContact CD1-CB 3.85Å; V628-D655 PolarHBondContact N-O 3.5Å
656	I	95	Very high	94	Very high	36 Å²	36	30 Å²	30	19%	0.185	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.2	176.6	-58.3	174.8	0	0	0	108.4	T586 M588 K641 A644	T586-I656 HydrophobicContact CG2-CB 4.23Å; T586-I656 HydrophobicContact CG2-CD1 4.34Å; T586-I656 HydrophobicContact CG2-CG2 3.97Å; M588-I656 HydrophobicContact CB-CD1 4.32Å; M588-I656 HydrophobicContact CG-CD1 3.94Å; M588-I656 HydrophobicContact SD-CD1 3.9Å; K641-I656 HydrophobicContact CD-CD1 4.33Å; A644-I656 HydrophobicContact CB-CD1 3.79Å; A644-I656 HydrophobicContact CB-CG1 3.85Å
657	G	94.1	Very high	94.3	Very high	6 Å²	6	30 Å²	30	6%	0.062	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-63.3	137.3	173.2	0	0	0	0	0	111.5	V628	V628-G657 PolarHBondContact O-N 2.9Å
658	P	93.8	Very high	94.6	Very high	62 Å²	62	32.9 Å²	32.9	40%	0.403	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-54.3	155.2	166.8	-25	32.7	0	0	0	112.5	Q661	P658-Q661 HydrophobicContact CB-CG 4.28Å; P658-Q661 PolarHBondContact O-OE1 3.26Å
659	L	94.2	Very high	94.9	Very high	39 Å²	39	33.9 Å²	33.9	20%	0.204	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	152.8	169.9	-67.1	168.4	0	0	0	110.8	N233 K630 Q661	N233-L659 HydrophobicContact CB-CD1 3.84Å; N233-L659 VanDerWaalsContact CG-CD1 3.43Å; K630-L659 HydrophobicContact CB-CD2 4.24Å; K630-L659 HydrophobicContact CG-CD2 4.02Å; L659-Q661 VanDerWaalsContact C-N 3.34Å; L659-Q661 PolarHBondContact O-N 2.89Å
660	F	95	Very high	95.5	Very high	27 Å²	27	33.1 Å²	33.1	12%	0.118	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.8	23.7	171.2	-34.5	-56.1	0	0	0	116.8	R148 N233 Y235 G632	R148-F660 VanDerWaalsContact CZ-CE2 3.43Å; R148-F660 VanDerWaalsContact NH1-CD2 3.31Å; R148-F660 VanDerWaalsContact NH2-CD2 3.29Å; R148-F660 VanDerWaalsContact NH2-CE2 3.34Å; N233-F660 HydrophobicContact CB-CZ 4.29Å; N233-F660 WeakPolarHBondContact O-CZ 3.46Å; Y235-F660 HydrophobicContact CE2-CE2 4.2Å; G632-F660 VanDerWaalsContact O-CA 3.29Å; G632-F660 WeakPolarHBondContact O-CA 3.46Å
661	Q	95.9	Very high	96	Very high	21 Å²	21	33.4 Å²	33.4	10%	0.098	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-72	143.8	173.1	-67.7	-176.9	-62.2	0	0	111.3	M631 G632 P658 L659 E665 V666	M631-Q661 VanDerWaalsContact CA-O 3.3Å; M631-Q661 WeakPolarHBondContact CA-O 3.46Å; G632-Q661 PolarHBondContact N-O 2.76Å; P658-Q661 HydrophobicContact CB-CG 4.28Å; P658-Q661 PolarHBondContact O-OE1 3.26Å; L659-Q661 VanDerWaalsContact C-N 3.34Å; L659-Q661 PolarHBondContact O-N 2.89Å; Q661-E665 WeakPolarHBondContact CA-OE2 3.48Å; Q661-E665 HydrophobicContact CB-CB 4.09Å; Q661-E665 HydrophobicContact CG-CB 4.32Å; Q661-V666 HydrophobicContact CB-CG2 3.6Å; Q661-V666 HydrophobicContact CG-CG2 4.49Å
662	T	97	Very high	96.5	Very high	34 Å²	34	38 Å²	38	21%	0.209	20%	0.196	C	C	.	.			trans	-74.9	159.5	164.8	59.5	0	0	0	0	110.3	R156 R664 E665 V666	R156-T662 HydrophobicContact CG-CG2 4.42Å; T662-R664 PolarHBondContact O-N 3.38Å; T662-R664 VanDerWaalsContact O-N 3.14Å; T662-E665 WeakPolarHBondContact CB-OE2 3.29Å; T662-E665 WeakPolarHBondContact CG2-OE2 3.45Å; T662-E665 PolarHBondContact N-OE2 3.13Å; T662-E665 PolarHBondContact O-N 2.99Å; T662-E665 VanDerWaalsContact OG1-CD 3.26Å; T662-E665 VanDerWaalsContact OG1-CG 3.31Å; T662-E665 WeakPolarHBondContact OG1-CG 3.48Å; T662-E665 PolarHBondContact OG1-N 3.14Å; T662-E665 PolarHBondContact OG1-OE2 3.07Å; T662-V666 PolarHBondContact O-N 3.15Å
663	P	97.3	Very high	96.6	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.039	20%	0.201	C	C	.	.	H	α-helix	trans	-54.2	-33.4	173.8	-27.4	35.7	0	0	0	113.5	M631 A667 L690 E693 L694	M631-P663 HydrophobicContact SD-CB 3.93Å; M631-P663 HydrophobicContact SD-CG 3.93Å; P663-A667 WeakPolarHBondContact O-CB 3.46Å; P663-A667 PolarHBondContact O-N 3Å; P663-L690 HydrophobicContact CG-CB 4.23Å; P663-L690 HydrophobicContact CG-CD2 3.92Å; P663-E693 HydrophobicContact CB-CB 3.86Å; P663-E693 HydrophobicContact CG-CB 3.89Å; P663-L694 HydrophobicContact CB-CB 4.11Å; P663-L694 WeakPolarHBondContact O-CD1 3.42Å
664	R	97.2	Very high	96.7	Very high	95 Å²	95	37.9 Å²	37.9	36%	0.358	20%	0.198	S	C	.	.	H	α-helix	trans	-66.8	-45.7	175	179.6	67.3	-165	179.3	5.3	112.9	T662 V666 A667 Q668 E697	T662-R664 PolarHBondContact O-N 3.38Å; T662-R664 VanDerWaalsContact O-N 3.14Å; R664-V666 VanDerWaalsContact C-N 3.32Å; R664-A667 PolarHBondContact O-N 2.82Å; R664-Q668 WeakPolarHBondContact O-CB 3.45Å; R664-Q668 PolarHBondContact O-N 3.37Å; R664-E697 HydrophobicContact CB-CG 4.21Å; R664-E697 WeakPolarHBondContact CD-OE2 3.34Å; R664-E697 IonicContact CZ-OE2 3.68Å; R664-E697 IonicContact NE-OE2 3.86Å; R664-E697 IonicContact NH1-OE2 3.57Å; R664-E697 PolarHBondContact NH1-OE2 3.04Å
665	E	97.8	Very high	96.8	Very high	67 Å²	67	36.7 Å²	36.7	31%	0.313	19%	0.191	S	C	.	.	H	α-helix	trans	-64	-39.6	178.7	-73.8	158.4	160.1	0	0	110.6	R156 Q661 T662 Q669	R156-E665 IonicContact CZ-OE1 3.48Å; R156-E665 IonicContact NH1-OE1 2.84Å; R156-E665 PolarHBondContact NH1-OE1 3.16Å; R156-E665 IonicContact NH1-OE2 3.76Å; R156-E665 PolarHBondContact NH1-OE2 3.42Å; R156-E665 IonicContact NH2-OE1 3.89Å; R156-E665 PolarHBondContact NH2-OE1 3.47Å; Q661-E665 WeakPolarHBondContact CA-OE2 3.48Å; Q661-E665 HydrophobicContact CB-CB 4.09Å; Q661-E665 HydrophobicContact CG-CB 4.32Å; T662-E665 WeakPolarHBondContact CB-OE2 3.29Å; T662-E665 WeakPolarHBondContact CG2-OE2 3.45Å; T662-E665 PolarHBondContact N-OE2 3.13Å; T662-E665 PolarHBondContact O-N 2.99Å; T662-E665 VanDerWaalsContact OG1-CD 3.26Å; T662-E665 VanDerWaalsContact OG1-CG 3.31Å; T662-E665 WeakPolarHBondContact OG1-CG 3.48Å; T662-E665 PolarHBondContact OG1-N 3.14Å; T662-E665 PolarHBondContact OG1-OE2 3.07Å; E665-Q669 WeakPolarHBondContact O-CB 3.28Å; E665-Q669 PolarHBondContact O-N 3.36Å
666	V	98.2	Very high	96.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.8	-46.7	173.6	175.6	0	0	0	0	111.6	L627 A629 M631 Q661 T662 R664 Q668 Q669 A670 V678 L694	L627-V666 HydrophobicContact CD2-CG1 4.08Å; A629-V666 HydrophobicContact CB-CG1 3.63Å; A629-V666 HydrophobicContact CB-CG2 4.14Å; M631-V666 HydrophobicContact CG-CB 4.45Å; M631-V666 HydrophobicContact CG-CG2 3.69Å; M631-V666 HydrophobicContact SD-CB 4.47Å; M631-V666 HydrophobicContact SD-CG2 4.31Å; Q661-V666 HydrophobicContact CB-CG2 3.6Å; Q661-V666 HydrophobicContact CG-CG2 4.49Å; T662-V666 PolarHBondContact O-N 3.15Å; R664-V666 VanDerWaalsContact C-N 3.32Å; V666-Q668 VanDerWaalsContact C-N 3.31Å; V666-Q668 PolarHBondContact O-N 2.72Å; V666-Q669 PolarHBondContact O-N 3.24Å; V666-A670 WeakPolarHBondContact O-CB 2.99Å; V666-A670 PolarHBondContact O-N 2.83Å; V666-V678 HydrophobicContact CG1-CG1 3.91Å; V666-L694 HydrophobicContact CB-CD1 4.03Å; V666-L694 HydrophobicContact CG1-CD1 3.75Å; V666-L694 HydrophobicContact CG1-CD2 4.36Å
667	A	98.3	Very high	97	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.6	-44.7	177.9	0	0	0	0	0	111.4	P663 R664 A670 V671 L694 E697 L698 L701	P663-A667 WeakPolarHBondContact O-CB 3.46Å; P663-A667 PolarHBondContact O-N 3Å; R664-A667 PolarHBondContact O-N 2.82Å; A667-A670 PolarHBondContact O-N 3.13Å; A667-V671 WeakPolarHBondContact O-CG2 3.47Å; A667-V671 PolarHBondContact O-N 3.47Å; A667-V671 VanDerWaalsContact O-N 3.09Å; A667-L694 HydrophobicContact CB-CD1 3.96Å; A667-E697 HydrophobicContact CB-CB 3.65Å; A667-L698 HydrophobicContact CB-CD2 4.01Å; A667-L698 HydrophobicContact CB-CG 4.12Å; A667-L701 HydrophobicContact CB-CD1 3.93Å
668	Q	98.4	Very high	97.3	Very high	64 Å²	64	33.5 Å²	33.5	30%	0.299	17%	0.172	S	C	.	.	H	α-helix	trans	-61.2	-47.4	177.3	-170.1	64.5	58.8	0	0	111.4	R664 V666 A670 V671 D672 L701	R664-Q668 WeakPolarHBondContact O-CB 3.45Å; R664-Q668 PolarHBondContact O-N 3.37Å; V666-Q668 VanDerWaalsContact C-N 3.31Å; V666-Q668 PolarHBondContact O-N 2.72Å; Q668-A670 VanDerWaalsContact C-N 3.32Å; Q668-A670 PolarHBondContact O-N 2.78Å; Q668-V671 PolarHBondContact O-N 2.93Å; Q668-D672 PolarHBondContact NE2-OD1 2.95Å; Q668-D672 WeakPolarHBondContact O-CB 3.41Å; Q668-D672 PolarHBondContact O-N 2.93Å; Q668-L701 HydrophobicContact CB-CD1 4.49Å
669	Q	98.1	Very high	97.5	Very high	48 Å²	48	31 Å²	31	22%	0.224	16%	0.157	C	C	.	.	H	α-helix	trans	-61	-40.6	177.9	-177.8	177.5	-3.7	0	0	112.4	L627 E665 V666 V671 D672 A673	L627-Q669 HydrophobicContact CD1-CG 4.31Å; L627-Q669 HydrophobicContact CD2-CB 4.32Å; L627-Q669 HydrophobicContact CD2-CG 4.17Å; E665-Q669 WeakPolarHBondContact O-CB 3.28Å; E665-Q669 PolarHBondContact O-N 3.36Å; V666-Q669 PolarHBondContact O-N 3.24Å; Q669-V671 VanDerWaalsContact C-N 3.34Å; Q669-V671 PolarHBondContact O-N 3.05Å; Q669-D672 PolarHBondContact O-N 3.16Å; Q669-A673 VanDerWaalsContact O-CB 3.29Å; Q669-A673 WeakPolarHBondContact O-CB 3.12Å; Q669-A673 PolarHBondContact O-N 3.18Å
670	A	98.3	Very high	97.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-61.6	-42.7	178	0	0	0	0	0	111.9	L627 V666 A667 Q668 D674 V675 V678 L698 I706	L627-A670 HydrophobicContact CD2-CB 3.86Å; V666-A670 WeakPolarHBondContact O-CB 2.99Å; V666-A670 PolarHBondContact O-N 2.83Å; A667-A670 PolarHBondContact O-N 3.13Å; Q668-A670 VanDerWaalsContact C-N 3.32Å; Q668-A670 PolarHBondContact O-N 2.78Å; A670-D674 PolarHBondContact O-N 3.07Å; A670-D674 VanDerWaalsContact O-N 3.13Å; A670-V675 HydrophobicContact CB-CG2 3.78Å; A670-V675 PolarHBondContact O-N 2.86Å; A670-V675 VanDerWaalsContact O-N 3.15Å; A670-V678 HydrophobicContact CB-CG2 3.48Å; A670-V678 VanDerWaalsContact CB-CG2 3.48Å; A670-L698 HydrophobicContact CB-CD2 4.22Å; A670-I706 HydrophobicContact CB-CD1 4.44Å
671	V	98.1	Very high	97.7	Very high	32 Å²	32	28.7 Å²	28.7	19%	0.194	15%	0.148	C	C	.	.	H	α-helix	trans	-69.9	-45.3	177.9	174.2	0	0	0	0	111.3	A667 Q668 Q669 A673 D674 L698 L701 R703 I706	A667-V671 WeakPolarHBondContact O-CG2 3.47Å; A667-V671 PolarHBondContact O-N 3.47Å; A667-V671 VanDerWaalsContact O-N 3.09Å; Q668-V671 PolarHBondContact O-N 2.93Å; Q669-V671 VanDerWaalsContact C-N 3.34Å; Q669-V671 PolarHBondContact O-N 3.05Å; V671-A673 VanDerWaalsContact C-N 3.28Å; V671-A673 PolarHBondContact O-N 3.22Å; V671-D674 PolarHBondContact O-N 2.98Å; V671-L698 HydrophobicContact CG2-CD2 4.25Å; V671-L701 HydrophobicContact CG2-CB 4.05Å; V671-L701 HydrophobicContact CG2-CD1 4.08Å; V671-R703 HydrophobicContact CB-CG 4.46Å; V671-R703 HydrophobicContact CG1-CG 4.02Å; V671-R703 HydrophobicContact CG2-CB 3.79Å; V671-R703 HydrophobicContact CG2-CG 3.73Å; V671-I706 HydrophobicContact CG2-CD1 4.08Å
672	D	97.9	Very high	97.6	Very high	118 Å²	118	28.2 Å²	28.2	63%	0.631	15%	0.146	S	C	*	.	H	α-helix	trans	-62.8	-35.5	180	-66.7	-11.7	0	0	0	112	Q668 Q669 D674	Q668-D672 PolarHBondContact NE2-OD1 2.95Å; Q668-D672 WeakPolarHBondContact O-CB 3.41Å; Q668-D672 PolarHBondContact O-N 2.93Å; Q669-D672 PolarHBondContact O-N 3.16Å; D672-D674 VanDerWaalsContact C-N 3.34Å
673	A	97.3	Very high	97.2	Very high	17 Å²	17	29.2 Å²	29.2	14%	0.14	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-6	176.2	0	0	0	0	0	113.7	R625 Q669 V671 V675	R625-A673 PolarHBondContact NE-O 3.23Å; R625-A673 PolarHBondContact NH1-O 3.43Å; Q669-A673 VanDerWaalsContact O-CB 3.29Å; Q669-A673 WeakPolarHBondContact O-CB 3.12Å; Q669-A673 PolarHBondContact O-N 3.18Å; V671-A673 VanDerWaalsContact C-N 3.28Å; V671-A673 PolarHBondContact O-N 3.22Å; A673-V675 VanDerWaalsContact C-N 3.32Å; A673-V675 HydrophobicContact CB-CG1 3.77Å; A673-V675 PolarHBondContact O-N 2.79Å
674	D	97.4	Very high	96.6	Very high	57 Å²	57	29.4 Å²	29.4	31%	0.305	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	51.6	-175.7	-172.1	37	0	0	0	113	R622 A670 V671 D672 R703	R622-D674 IonicContact CZ-OD2 3.42Å; R622-D674 IonicContact NH1-OD2 3.27Å; R622-D674 PolarHBondContact NH1-OD2 3.33Å; R622-D674 IonicContact NH2-OD2 3.21Å; R622-D674 PolarHBondContact NH2-OD2 3.34Å; A670-D674 PolarHBondContact O-N 3.07Å; A670-D674 VanDerWaalsContact O-N 3.13Å; V671-D674 PolarHBondContact O-N 2.98Å; D672-D674 VanDerWaalsContact C-N 3.34Å; D674-R703 IonicContact OD1-CZ 2.71Å; D674-R703 IonicContact OD1-NH1 2.78Å; D674-R703 PolarHBondContact OD1-NH1 3.36Å; D674-R703 IonicContact OD1-NH2 3.53Å; D674-R703 PolarHBondContact OD1-NH2 3.33Å; D674-R703 VanDerWaalsContact OD1-NH2 3.1Å
675	V	98.1	Very high	96.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.151	C	C	.	.			trans	-75.2	152.7	-179.4	-53.7	0	0	0	0	111.4	R625 L627 A670 A673 C677 V678 I706	R625-V675 HydrophobicContact CG-CB 4.4Å; R625-V675 HydrophobicContact CG-CG1 4.04Å; L627-V675 HydrophobicContact CB-CB 4.47Å; L627-V675 HydrophobicContact CB-CG1 4Å; L627-V675 HydrophobicContact CB-CG2 4.16Å; A670-V675 HydrophobicContact CB-CG2 3.78Å; A670-V675 PolarHBondContact O-N 2.86Å; A670-V675 VanDerWaalsContact O-N 3.15Å; A673-V675 VanDerWaalsContact C-N 3.32Å; A673-V675 HydrophobicContact CB-CG1 3.77Å; A673-V675 PolarHBondContact O-N 2.79Å; V675-C677 WeakPolarHBondContact CG2-O 3.45Å; V675-V678 HydrophobicContact CG2-CG2 4.04Å; V675-I706 HydrophobicContact CG2-CG2 4.05Å
676	H	98.1	Very high	95.5	Very high	15 Å²	15	23.7 Å²	23.7	7%	0.069	14%	0.137	C	C	.	.	S	Bend	trans	-80.9	-30.3	173.6	-58.3	87.3	0	0	0	111.4	F616 R622 N623 R625 L707 I748	F616-H676 AromaticContact CZ-NE2 3.86Å; R622-H676 VanDerWaalsContact CZ-CE1 3.46Å; R622-H676 PolarHBondContact NE-CE1 3.04Å; R622-H676 PolarHBondContact NE-NE2 3.15Å; R622-H676 PolarHBondContact NH2-CE1 2.79Å; R622-H676 PolarHBondContact NH2-NE2 3.24Å; N623-H676 PolarHBondContact O-CE1 3.01Å; R625-H676 PolarHBondContact N-ND1 3.48Å; R625-H676 PolarHBondContact O-N 3.04Å; H676-L707 PolarHBondContact O-N 3.36Å; H676-L707 VanDerWaalsContact O-N 3.15Å; H676-I748 HydrophobicContact CB-CD1 3.89Å; H676-I748 HydrophobicContact CB-CG1 4.13Å; H676-I748 HydrophobicContact CB-CG2 3.9Å
677	C	97.6	Very high	95.3	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.007	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	142.5	-174	-175.1	0	0	0	0	110.9	R625 L626 L627 V675 L707 I748	R625-C677 PolarHBondContact O-N 3.07Å; L626-C677 WeakPolarHBondContact CA-O 3.45Å; L626-C677 HydrophobicContact CD1-CB 3.97Å; L627-C677 PolarHBondContact N-O 2.99Å; V675-C677 WeakPolarHBondContact CG2-O 3.45Å; C677-L707 CarbonylContact C-O 3.59Å; C677-L707 WeakPolarHBondContact CA-O 3.35Å; C677-L707 HydrophobicContact CB-CB 4.26Å; C677-I748 HydrophobicContact CB-CD1 4.26Å; C677-I748 HydrophobicContact CB-CG1 4.44Å
678	V	98.6	Very high	94.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	117.2	165.9	-176.9	0	0	0	0	108.5	L627 A629 V666 A670 V675 V680 L694 I706 L707 V708 I709	L627-V678 HydrophobicContact CB-CG2 4.43Å; L627-V678 HydrophobicContact CD2-CG1 4.41Å; L627-V678 HydrophobicContact CD2-CG2 4.37Å; L627-V678 CarbonylContact O-C 3.52Å; L627-V678 WeakPolarHBondContact O-CA 3.41Å; A629-V678 HydrophobicContact CB-CG1 4.03Å; V666-V678 HydrophobicContact CG1-CG1 3.91Å; A670-V678 HydrophobicContact CB-CG2 3.48Å; A670-V678 VanDerWaalsContact CB-CG2 3.48Å; V675-V678 HydrophobicContact CG2-CG2 4.04Å; V678-V680 HydrophobicContact CG1-CG2 4.21Å; V678-L694 HydrophobicContact CG1-CD2 4.01Å; V678-I706 HydrophobicContact CG2-CG2 3.83Å; V678-L707 PolarHBondContact N-O 3.28Å; V678-V708 WeakPolarHBondContact O-CA 3.42Å; V678-I709 PolarHBondContact O-N 3.5Å
679	G	97.9	Very high	94.6	Very high	9 Å²	9	27 Å²	27	9%	0.093	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	102.3	171.6	0	0	0	0	0	111.6	L627 V628 A629 S681 I709	L627-G679 PolarHBondContact O-N 2.93Å; V628-G679 CarbonylContact C-O 3.56Å; V628-G679 WeakPolarHBondContact CA-O 3.43Å; A629-G679 PolarHBondContact N-O 3.48Å; G679-S681 PolarHBondContact O-N 3.07Å; G679-I709 VanDerWaalsContact CA-CG1 3.48Å
680	V	97.8	Very high	94.4	Very high	5 Å²	5	25.2 Å²	25.2	3%	0.03	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	116.7	177.1	-179.6	0	0	0	0	109.6	M631 V678 V691 L694 V708 I709 C710 G711	M631-V680 HydrophobicContact CE-CB 4.26Å; M631-V680 HydrophobicContact CE-CG1 3.5Å; M631-V680 VanDerWaalsContact CE-CG1 3.5Å; M631-V680 HydrophobicContact CE-CG2 3.69Å; V678-V680 HydrophobicContact CG1-CG2 4.21Å; V680-V691 HydrophobicContact CG1-CG2 4.11Å; V680-L694 HydrophobicContact CG2-CD2 3.53Å; V680-V708 HydrophobicContact CG2-CG1 4.15Å; V680-I709 PolarHBondContact N-O 3.47Å; V680-C710 CarbonylContact O-C 3.58Å; V680-C710 WeakPolarHBondContact O-CA 3.29Å; V680-G711 PolarHBondContact O-N 3.12Å
681	S	96.8	Very high	94.4	Very high	14 Å²	14	25.2 Å²	25.2	10%	0.098	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	111.9	171.4	-177.9	0	0	0	0	110.1	A629 K630 G679 L683 G711	A629-S681 PolarHBondContact O-N 3.4Å; K630-S681 WeakPolarHBondContact CD-O 3.4Å; K630-S681 WeakPolarHBondContact CE-O 3.44Å; K630-S681 PolarHBondContact NZ-O 3.4Å; G679-S681 PolarHBondContact O-N 3.07Å; S681-L683 WeakPolarHBondContact OG-CD1 3.33Å; S681-G711 CarbonylContact C-O 3.58Å; S681-G711 WeakPolarHBondContact CA-O 3.2Å
682	T	92.8	Very high	94.3	Very high	10 Å²	10	25.4 Å²	25.4	6%	0.061	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119.6	-173.4	176.1	0	0	0	0	111.1	H687 G711 G712 V713 I714	T682-H687 HydrophobicContact CG2-CB 3.87Å; T682-G711 PolarHBondContact N-O 3.14Å; T682-G712 CarbonylContact O-C 3.46Å; T682-G712 WeakPolarHBondContact O-CA 3.38Å; T682-V713 PolarHBondContact O-N 3.45Å; T682-I714 HydrophobicContact CG2-CD1 3.7Å; T682-I714 HydrophobicContact CG2-CG1 3.81Å
683	L	89.7	Confident	94.2	Very high	55 Å²	55	23.4 Å²	23.4	29%	0.288	13%	0.134	S	C	.	.			trans	-129.9	4.1	-179.5	-69.3	88.1	0	0	0	112.4	D634 H636 S681 V713	D634-L683 PolarHBondContact OD2-N 3.17Å; H636-L683 HydrophobicContact CB-CB 3.95Å; H636-L683 HydrophobicContact CB-CD1 4.21Å; H636-L683 HydrophobicContact CB-CD2 3.96Å; H636-L683 HydrophobicContact CB-CG 4.27Å; S681-L683 WeakPolarHBondContact OG-CD1 3.33Å; L683-V713 HydrophobicContact CD2-CG2 4.38Å; L683-V713 HydrophobicContact CG-CG2 4.34Å
684	A	85	Confident	94.2	Very high	10 Å²	10	22.6 Å²	22.6	8%	0.083	13%	0.127	C	C	.	.	S	Bend	trans	-115	21.9	-179.1	0	0	0	0	0	113.4	L144 D634 G686	L144-A684 HydrophobicContact CD1-CB 3.54Å; D634-A684 HydrophobicContact CB-CB 3.76Å; A684-G686 PolarHBondContact O-N 3.23Å
685	A	85.1	Confident	94.2	Very high	40 Å²	40	20.6 Å²	20.6	33%	0.331	12%	0.116	S	C	.	.	S	Bend	trans	60	12.4	176.8	0	0	0	0	0	116.8	M163 H687	M163-A685 HydrophobicContact CE-CB 3.36Å; M163-A685 WeakPolarHBondContact CE-O 3.28Å; A685-H687 PolarHBondContact O-N 3.43Å
686	G	86.9	Confident	94.2	Very high	2 Å²	2	26.5 Å²	26.5	2%	0.021	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-1.6	175.8	0	0	0	0	0	115.1	A684 K688 T689 L690	A684-G686 PolarHBondContact O-N 3.23Å; G686-K688 VanDerWaalsContact C-N 3.33Å; G686-K688 PolarHBondContact O-N 3.49Å; G686-T689 PolarHBondContact O-N 3.03Å; G686-L690 WeakPolarHBondContact O-CG 3.36Å; G686-L690 PolarHBondContact O-N 2.98Å
687	H	92.3	Very high	94.2	Very high	5 Å²	5	27.2 Å²	27.2	2%	0.023	15%	0.145	C	C	.	.	H	α-helix	trans	-60.4	-35.8	-169.4	53.1	-81.3	0	0	0	114	T682 A685 T689 V691 P692 D718 L722	T682-H687 HydrophobicContact CG2-CB 3.87Å; A685-H687 PolarHBondContact O-N 3.43Å; H687-T689 PolarHBondContact O-N 3.48Å; H687-V691 HydrophobicContact CB-CG2 4.28Å; H687-V691 WeakPolarHBondContact O-CB 3.47Å; H687-V691 PolarHBondContact O-N 3.11Å; H687-P692 WeakPolarHBondContact O-CD 3.5Å; H687-D718 IonicContact CD2-OD2 3.8Å; H687-D718 IonicContact CE1-OD2 2.76Å; H687-D718 IonicContact NE2-OD2 3.07Å; H687-D718 PolarHBondContact NE2-OD2 3.15Å; H687-L722 HydrophobicContact CB-CD2 4.44Å
688	K	91.4	Very high	94.2	Very high	96 Å²	96	27.3 Å²	27.3	42%	0.417	15%	0.146	S	C	.	.	H	α-helix	trans	-68.1	-17.2	179.5	-59.8	-175.5	79	150.7	0	113.8	G686 D718 F721	G686-K688 VanDerWaalsContact C-N 3.33Å; G686-K688 PolarHBondContact O-N 3.49Å; K688-D718 WeakPolarHBondContact CD-OD1 3.23Å; K688-D718 WeakPolarHBondContact CE-OD1 3.1Å; K688-D718 IonicContact NZ-OD1 3.1Å; K688-D718 PolarHBondContact NZ-OD1 3.23Å; K688-F721 HydrophobicContact CB-CD1 4.46Å; K688-F721 HydrophobicContact CB-CE1 3.95Å; K688-F721 HydrophobicContact CG-CD1 4.24Å; K688-F721 HydrophobicContact CG-CE1 4.23Å
689	T	91.3	Very high	94.2	Very high	33 Å²	33	34.5 Å²	34.5	20%	0.202	17%	0.173	C	C	.	.	H	α-helix	trans	-105.5	-53.7	-180	-49.9	0	0	0	0	110.7	H158 N513 G686 H687 P692 E693	H158-T689 VanDerWaalsContact NE2-CG2 3.33Å; H158-T689 WeakPolarHBondContact NE2-CG2 3.1Å; N513-T689 PolarHBondContact ND2-OG1 3.26Å; G686-T689 PolarHBondContact O-N 3.03Å; H687-T689 PolarHBondContact O-N 3.48Å; T689-P692 WeakPolarHBondContact O-CD 3.39Å; T689-E693 WeakPolarHBondContact O-CG 3.39Å; T689-E693 PolarHBondContact O-N 3.03Å
690	L	94.8	Very high	94.2	Very high	10 Å²	10	40 Å²	40	5%	0.052	19%	0.194	C	C	.	.	H	α-helix	trans	-74.8	-34.6	-169	-59.6	172.5	0	0	0	113.2	M631 P663 G686 E693 L694	M631-L690 HydrophobicContact CB-CB 4.29Å; M631-L690 HydrophobicContact CB-CD1 4.03Å; M631-L690 HydrophobicContact CE-CB 4.05Å; M631-L690 HydrophobicContact SD-CB 4.47Å; P663-L690 HydrophobicContact CG-CB 4.23Å; P663-L690 HydrophobicContact CG-CD2 3.92Å; G686-L690 WeakPolarHBondContact O-CG 3.36Å; G686-L690 PolarHBondContact O-N 2.98Å; L690-E693 PolarHBondContact O-N 3.34Å; L690-L694 PolarHBondContact O-N 3.38Å
691	V	96.9	Very high	94.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-71	-47.3	-178.2	175.9	0	0	0	0	112	M631 V680 H687 E693 L694 I695 V708 L722 V727	M631-V691 HydrophobicContact CE-CG2 4.12Å; V680-V691 HydrophobicContact CG1-CG2 4.11Å; H687-V691 HydrophobicContact CB-CG2 4.28Å; H687-V691 WeakPolarHBondContact O-CB 3.47Å; H687-V691 PolarHBondContact O-N 3.11Å; V691-E693 VanDerWaalsContact C-N 3.25Å; V691-E693 PolarHBondContact O-N 3.38Å; V691-L694 WeakPolarHBondContact O-CB 3.26Å; V691-L694 PolarHBondContact O-N 2.92Å; V691-I695 HydrophobicContact CG1-CD1 4.14Å; V691-I695 WeakPolarHBondContact O-CG1 3.37Å; V691-I695 PolarHBondContact O-N 3.38Å; V691-I695 VanDerWaalsContact O-N 3.13Å; V691-V708 HydrophobicContact CG1-CG1 4.24Å; V691-L722 HydrophobicContact CB-CD2 4.23Å; V691-L722 HydrophobicContact CG1-CD2 4.29Å; V691-V727 HydrophobicContact CG1-CG2 3.47Å; V691-V727 VanDerWaalsContact CG1-CG2 3.47Å
692	P	96.3	Very high	94.1	Very high	36 Å²	36	47.4 Å²	47.4	23%	0.234	23%	0.233	C	C	.	.	H	α-helix	trans	-58.4	-36.9	172.7	-26.5	35.7	0	0	0	113.2	H687 T689 I695 K696 F721	H687-P692 WeakPolarHBondContact O-CD 3.5Å; T689-P692 WeakPolarHBondContact O-CD 3.39Å; P692-I695 PolarHBondContact O-N 3.19Å; P692-K696 WeakPolarHBondContact O-CB 3.42Å; P692-K696 PolarHBondContact O-N 3.5Å; P692-F721 HydrophobicContact CG-CE1 4Å; P692-F721 HydrophobicContact CG-CZ 4.14Å
693	E	96.1	Very high	94.3	Very high	77 Å²	77	49.2 Å²	49.2	36%	0.36	24%	0.238	S	C	.	.	H	α-helix	trans	-64.5	-43	175.1	-75.8	-168.1	168.9	0	0	112.4	H158 P663 T689 L690 V691 I695 K696 E697	H158-E693 IonicContact CE1-OE1 3.26Å; H158-E693 IonicContact CE1-OE2 2.76Å; H158-E693 PolarHBondContact CE1-OE2 3.29Å; H158-E693 IonicContact NE2-OE1 3.75Å; H158-E693 PolarHBondContact NE2-OE1 3.39Å; H158-E693 IonicContact NE2-OE2 3.65Å; P663-E693 HydrophobicContact CB-CB 3.86Å; P663-E693 HydrophobicContact CG-CB 3.89Å; T689-E693 WeakPolarHBondContact O-CG 3.39Å; T689-E693 PolarHBondContact O-N 3.03Å; L690-E693 PolarHBondContact O-N 3.34Å; V691-E693 VanDerWaalsContact C-N 3.25Å; V691-E693 PolarHBondContact O-N 3.38Å; E693-I695 VanDerWaalsContact C-N 3.34Å; E693-I695 PolarHBondContact O-N 2.9Å; E693-K696 WeakPolarHBondContact O-CB 3.36Å; E693-K696 PolarHBondContact O-N 2.8Å; E693-E697 WeakPolarHBondContact O-CG 3.5Å; E693-E697 PolarHBondContact O-N 2.97Å
694	L	98	Very high	94.5	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.2	-48.7	176.1	171.6	62.8	0	0	0	111.2	M631 P663 V666 A667 V678 V680 L690 V691 K696 E697 L698 V708	M631-L694 HydrophobicContact CE-CB 4.13Å; M631-L694 HydrophobicContact CE-CD2 3.91Å; M631-L694 HydrophobicContact SD-CB 3.92Å; M631-L694 HydrophobicContact SD-CD2 4.05Å; M631-L694 HydrophobicContact SD-CG 4.38Å; P663-L694 HydrophobicContact CB-CB 4.11Å; P663-L694 WeakPolarHBondContact O-CD1 3.42Å; V666-L694 HydrophobicContact CB-CD1 4.03Å; V666-L694 HydrophobicContact CG1-CD1 3.75Å; V666-L694 HydrophobicContact CG1-CD2 4.36Å; A667-L694 HydrophobicContact CB-CD1 3.96Å; V678-L694 HydrophobicContact CG1-CD2 4.01Å; V680-L694 HydrophobicContact CG2-CD2 3.53Å; L690-L694 PolarHBondContact O-N 3.38Å; V691-L694 WeakPolarHBondContact O-CB 3.26Å; V691-L694 PolarHBondContact O-N 2.92Å; L694-K696 VanDerWaalsContact C-N 3.29Å; L694-K696 PolarHBondContact O-N 3.24Å; L694-E697 PolarHBondContact O-N 3.19Å; L694-E697 VanDerWaalsContact O-N 3.13Å; L694-L698 HydrophobicContact CD1-CD1 4.31Å; L694-L698 HydrophobicContact CD1-CG 4.3Å; L694-L698 HydrophobicContact CG-CD1 4.23Å; L694-L698 WeakPolarHBondContact O-CG 3.3Å; L694-L698 PolarHBondContact O-N 3.19Å; L694-V708 HydrophobicContact CD2-CG1 4.18Å; L694-V708 HydrophobicContact CD2-CG2 4.34Å
695	I	97.8	Very high	95	Very high	14 Å²	14	52.6 Å²	52.6	7%	0.072	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-40.3	179.6	-66	168.2	0	0	0	110.6	V691 P692 E693 L698 R699 V708 S725 V727	V691-I695 HydrophobicContact CG1-CD1 4.14Å; V691-I695 WeakPolarHBondContact O-CG1 3.37Å; V691-I695 PolarHBondContact O-N 3.38Å; V691-I695 VanDerWaalsContact O-N 3.13Å; P692-I695 PolarHBondContact O-N 3.19Å; E693-I695 VanDerWaalsContact C-N 3.34Å; E693-I695 PolarHBondContact O-N 2.9Å; I695-L698 PolarHBondContact O-N 3.33Å; I695-R699 WeakPolarHBondContact O-CG 3.5Å; I695-R699 PolarHBondContact O-N 2.76Å; I695-R699 VanDerWaalsContact O-N 3.11Å; I695-V708 HydrophobicContact CD1-CB 4.47Å; I695-V708 HydrophobicContact CG1-CB 4.24Å; I695-V708 HydrophobicContact CG1-CG1 4.46Å; I695-V708 HydrophobicContact CG1-CG2 3.88Å; I695-S725 VanDerWaalsContact CD1-O 3.24Å; I695-S725 WeakPolarHBondContact CD1-O 3.48Å; I695-V727 HydrophobicContact CD1-CG2 4.26Å
696	K	97.8	Very high	95.6	Very high	124 Å²	124	51 Å²	51	54%	0.539	25%	0.246	S	C	.	.	H	α-helix	trans	-63.6	-41	174.9	-174.4	-179.3	-178.1	179.2	0	112	P692 E693 L694 R699 K700	P692-K696 WeakPolarHBondContact O-CB 3.42Å; P692-K696 PolarHBondContact O-N 3.5Å; E693-K696 WeakPolarHBondContact O-CB 3.36Å; E693-K696 PolarHBondContact O-N 2.8Å; L694-K696 VanDerWaalsContact C-N 3.29Å; L694-K696 PolarHBondContact O-N 3.24Å; K696-R699 PolarHBondContact O-N 3.1Å; K696-K700 WeakPolarHBondContact O-CG 3.5Å; K696-K700 PolarHBondContact O-N 3.14Å
697	E	98.1	Very high	96.1	Very high	30 Å²	30	52.3 Å²	52.3	14%	0.14	25%	0.252	C	S	.	.	H	α-helix	trans	-69.3	-37.6	178.1	-69.5	-54.5	142.1	0	0	112.8	R664 A667 E693 L694 R699 K700 L701	R664-E697 HydrophobicContact CB-CG 4.21Å; R664-E697 WeakPolarHBondContact CD-OE2 3.34Å; R664-E697 IonicContact CZ-OE2 3.68Å; R664-E697 IonicContact NE-OE2 3.86Å; R664-E697 IonicContact NH1-OE2 3.57Å; R664-E697 PolarHBondContact NH1-OE2 3.04Å; A667-E697 HydrophobicContact CB-CB 3.65Å; E693-E697 WeakPolarHBondContact O-CG 3.5Å; E693-E697 PolarHBondContact O-N 2.97Å; L694-E697 PolarHBondContact O-N 3.19Å; L694-E697 VanDerWaalsContact O-N 3.13Å; E697-R699 VanDerWaalsContact C-N 3.35Å; E697-R699 PolarHBondContact O-N 3.04Å; E697-K700 WeakPolarHBondContact O-CB 3.27Å; E697-K700 PolarHBondContact O-N 2.84Å; E697-K700 IonicContact OE1-NZ 3.68Å; E697-K700 PolarHBondContact OE1-NZ 3.5Å; E697-K700 WeakPolarHBondContact OE2-CD 3.47Å; E697-K700 IonicContact OE2-NZ 2.78Å; E697-L701 WeakPolarHBondContact O-CB 3.5Å; E697-L701 PolarHBondContact O-N 3.36Å
698	L	98.1	Very high	96.4	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.016	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-43	171.9	-73.1	170.5	0	0	0	111.7	A667 A670 V671 L694 I695 K700 L701 D702 R703 I706 V708	A667-L698 HydrophobicContact CB-CD2 4.01Å; A667-L698 HydrophobicContact CB-CG 4.12Å; A670-L698 HydrophobicContact CB-CD2 4.22Å; V671-L698 HydrophobicContact CG2-CD2 4.25Å; L694-L698 HydrophobicContact CD1-CD1 4.31Å; L694-L698 HydrophobicContact CD1-CG 4.3Å; L694-L698 HydrophobicContact CG-CD1 4.23Å; L694-L698 WeakPolarHBondContact O-CG 3.3Å; L694-L698 PolarHBondContact O-N 3.19Å; I695-L698 PolarHBondContact O-N 3.33Å; L698-K700 PolarHBondContact O-N 2.67Å; L698-L701 CarbonylContact O-C 3.54Å; L698-L701 PolarHBondContact O-N 3.47Å; L698-D702 PolarHBondContact O-N 2.98Å; L698-R703 PolarHBondContact O-N 3.16Å; L698-I706 HydrophobicContact CD1-CG2 4.4Å; L698-I706 HydrophobicContact CD2-CB 4.43Å; L698-I706 HydrophobicContact CD2-CD1 4.19Å; L698-I706 HydrophobicContact CD2-CG2 4.49Å; L698-V708 HydrophobicContact CD1-CG2 3.71Å
699	R	97	Very high	96.7	Very high	151 Å²	151	48.3 Å²	48.3	57%	0.57	24%	0.235	S	C	*	.	H	α-helix	trans	-62.6	-41.1	173.7	-70.2	177.3	-171.3	166.3	7.8	112.4	I695 K696 E697 L701 D702 P704	I695-R699 WeakPolarHBondContact O-CG 3.5Å; I695-R699 PolarHBondContact O-N 2.76Å; I695-R699 VanDerWaalsContact O-N 3.11Å; K696-R699 PolarHBondContact O-N 3.1Å; E697-R699 VanDerWaalsContact C-N 3.35Å; E697-R699 PolarHBondContact O-N 3.04Å; R699-L701 PolarHBondContact O-N 3.27Å; R699-D702 PolarHBondContact O-N 2.64Å; R699-D702 VanDerWaalsContact O-N 3.12Å; R699-P704 HydrophobicContact CG-CB 4.1Å
700	K	97.6	Very high	97	Very high	125 Å²	125	46.8 Å²	46.8	54%	0.543	23%	0.226	S	C	.	.	H	α-helix	trans	-65.3	-27.4	176	-74.1	173.2	179.9	176.8	0	112.8	K696 E697 L698	K696-K700 WeakPolarHBondContact O-CG 3.5Å; K696-K700 PolarHBondContact O-N 3.14Å; E697-K700 WeakPolarHBondContact O-CB 3.27Å; E697-K700 PolarHBondContact O-N 2.84Å; E697-K700 IonicContact OE1-NZ 3.68Å; E697-K700 PolarHBondContact OE1-NZ 3.5Å; E697-K700 WeakPolarHBondContact OE2-CD 3.47Å; E697-K700 IonicContact OE2-NZ 2.78Å; L698-K700 PolarHBondContact O-N 2.67Å
701	L	97.4	Very high	97	Very high	36 Å²	36	47 Å²	47	19%	0.188	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	11.2	175	-77	174	0	0	0	113.3	A667 Q668 V671 E697 L698 R699 R703	A667-L701 HydrophobicContact CB-CD1 3.93Å; Q668-L701 HydrophobicContact CB-CD1 4.49Å; V671-L701 HydrophobicContact CG2-CB 4.05Å; V671-L701 HydrophobicContact CG2-CD1 4.08Å; E697-L701 WeakPolarHBondContact O-CB 3.5Å; E697-L701 PolarHBondContact O-N 3.36Å; L698-L701 CarbonylContact O-C 3.54Å; L698-L701 PolarHBondContact O-N 3.47Å; R699-L701 PolarHBondContact O-N 3.27Å; L701-R703 PolarHBondContact O-N 2.7Å
702	D	96.4	Very high	96.7	Very high	139 Å²	139	47.9 Å²	47.9	74%	0.743	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	30.5	178.9	-155	34.8	0	0	0	114	L698 R699	L698-D702 PolarHBondContact O-N 2.98Å; R699-D702 PolarHBondContact O-N 2.64Å; R699-D702 VanDerWaalsContact O-N 3.12Å
703	R	96.3	Very high	96.4	Very high	47 Å²	47	48 Å²	48	18%	0.177	24%	0.24	C	C	.	.			trans	-125.8	56.2	175.3	-69.5	-60.9	-54.6	-86.6	4.6	112.5	V671 D674 L698 L701 D705 I706	V671-R703 HydrophobicContact CB-CG 4.46Å; V671-R703 HydrophobicContact CG1-CG 4.02Å; V671-R703 HydrophobicContact CG2-CB 3.79Å; V671-R703 HydrophobicContact CG2-CG 3.73Å; D674-R703 IonicContact OD1-CZ 2.71Å; D674-R703 IonicContact OD1-NH1 2.78Å; D674-R703 PolarHBondContact OD1-NH1 3.36Å; D674-R703 IonicContact OD1-NH2 3.53Å; D674-R703 PolarHBondContact OD1-NH2 3.33Å; D674-R703 VanDerWaalsContact OD1-NH2 3.1Å; L698-R703 PolarHBondContact O-N 3.16Å; L701-R703 PolarHBondContact O-N 2.7Å; R703-D705 VanDerWaalsContact C-OD1 3.24Å; R703-D705 VanDerWaalsContact CA-OD1 3.24Å; R703-D705 WeakPolarHBondContact CA-OD1 3.25Å; R703-D705 IonicContact CZ-OD1 3.89Å; R703-D705 IonicContact CZ-OD2 2.8Å; R703-D705 IonicContact NE-OD1 3.37Å; R703-D705 PolarHBondContact NE-OD1 2.82Å; R703-D705 IonicContact NE-OD2 3.8Å; R703-D705 PolarHBondContact NE-OD2 2.97Å; R703-D705 IonicContact NH2-OD1 3.76Å; R703-D705 IonicContact NH2-OD2 2.85Å; R703-D705 PolarHBondContact NH2-OD2 3.09Å; R703-D705 PolarHBondContact O-N 2.97Å; R703-I706 HydrophobicContact CB-CD1 3.79Å; R703-I706 HydrophobicContact CB-CG1 4.08Å; R703-I706 HydrophobicContact CG-CD1 4.33Å; R703-I706 PolarHBondContact O-N 2.85Å
704	P	94.8	Very high	96.1	Very high	88 Å²	88	44.6 Å²	44.6	57%	0.571	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-12.1	177.1	33.4	-37.9	0	0	0	113.2	R699	R699-P704 HydrophobicContact CG-CB 4.1Å
705	D	94.4	Very high	95.5	Very high	48 Å²	48	45.3 Å²	45.3	26%	0.257	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-25.3	177.8	61.2	-60.6	0	0	0	113.4	R703 L707 L755	R703-D705 VanDerWaalsContact C-OD1 3.24Å; R703-D705 VanDerWaalsContact CA-OD1 3.24Å; R703-D705 WeakPolarHBondContact CA-OD1 3.25Å; R703-D705 IonicContact CZ-OD1 3.89Å; R703-D705 IonicContact CZ-OD2 2.8Å; R703-D705 IonicContact NE-OD1 3.37Å; R703-D705 PolarHBondContact NE-OD1 2.82Å; R703-D705 IonicContact NE-OD2 3.8Å; R703-D705 PolarHBondContact NE-OD2 2.97Å; R703-D705 IonicContact NH2-OD1 3.76Å; R703-D705 IonicContact NH2-OD2 2.85Å; R703-D705 PolarHBondContact NH2-OD2 3.09Å; R703-D705 PolarHBondContact O-N 2.97Å; D705-L707 PolarHBondContact O-N 3.01Å; D705-L755 HydrophobicContact CB-CD1 3.85Å
706	I	97.7	Very high	94.9	Very high	8 Å²	8	48 Å²	48	4%	0.041	25%	0.247	C	C	.	.	S	Bend	trans	-66.4	118.9	178.3	-62.4	-179.6	0	0	0	108.8	A670 V671 V675 V678 L698 R703	A670-I706 HydrophobicContact CB-CD1 4.44Å; V671-I706 HydrophobicContact CG2-CD1 4.08Å; V675-I706 HydrophobicContact CG2-CG2 4.05Å; V678-I706 HydrophobicContact CG2-CG2 3.83Å; L698-I706 HydrophobicContact CD1-CG2 4.4Å; L698-I706 HydrophobicContact CD2-CB 4.43Å; L698-I706 HydrophobicContact CD2-CD1 4.19Å; L698-I706 HydrophobicContact CD2-CG2 4.49Å; R703-I706 HydrophobicContact CB-CD1 3.79Å; R703-I706 HydrophobicContact CB-CG1 4.08Å; R703-I706 HydrophobicContact CG-CD1 4.33Å; R703-I706 PolarHBondContact O-N 2.85Å
707	L	97.8	Very high	94.3	Very high	28 Å²	28	47 Å²	47	15%	0.147	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	149	-179.4	-62.8	-178	0	0	0	111.4	H676 C677 V678 D705 N747 I748	H676-L707 PolarHBondContact O-N 3.36Å; H676-L707 VanDerWaalsContact O-N 3.15Å; C677-L707 CarbonylContact C-O 3.59Å; C677-L707 WeakPolarHBondContact CA-O 3.35Å; C677-L707 HydrophobicContact CB-CB 4.26Å; V678-L707 PolarHBondContact N-O 3.28Å; D705-L707 PolarHBondContact O-N 3.01Å; L707-N747 HydrophobicContact CD1-CB 4.2Å; L707-N747 WeakPolarHBondContact CD1-O 3.5Å; L707-I748 HydrophobicContact CD1-CB 4.46Å; L707-I748 HydrophobicContact CD1-CG1 3.97Å
708	V	98.3	Very high	94	Very high	5 Å²	5	46.4 Å²	46.4	3%	0.03	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	120.4	172.7	-179.7	0	0	0	0	109.1	V678 V680 V691 L694 I695 L698 V727 C728	V678-V708 WeakPolarHBondContact O-CA 3.42Å; V680-V708 HydrophobicContact CG2-CG1 4.15Å; V691-V708 HydrophobicContact CG1-CG1 4.24Å; L694-V708 HydrophobicContact CD2-CG1 4.18Å; L694-V708 HydrophobicContact CD2-CG2 4.34Å; I695-V708 HydrophobicContact CD1-CB 4.47Å; I695-V708 HydrophobicContact CG1-CB 4.24Å; I695-V708 HydrophobicContact CG1-CG1 4.46Å; I695-V708 HydrophobicContact CG1-CG2 3.88Å; L698-V708 HydrophobicContact CD1-CG2 3.71Å; V708-V727 HydrophobicContact CG1-CG2 4.47Å; V708-V727 CarbonylContact O-C 3.6Å; V708-V727 WeakPolarHBondContact O-CA 3.47Å; V708-C728 PolarHBondContact O-N 2.82Å; V708-C728 PolarHBondContact O-SG 3.27Å; V708-C728 VanDerWaalsContact O-SG 3.38Å
709	I	97.6	Very high	93.7	Very high	12 Å²	12	48.6 Å²	48.6	6%	0.062	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	150.4	169.3	64.5	-177.6	0	0	0	109.4	L626 V678 G679 V680 C728 A729 F731 V744	L626-I709 HydrophobicContact CD1-CD1 4.28Å; V678-I709 PolarHBondContact O-N 3.5Å; G679-I709 VanDerWaalsContact CA-CG1 3.48Å; V680-I709 PolarHBondContact N-O 3.47Å; I709-C728 WeakPolarHBondContact CG2-SG 3.42Å; I709-A729 WeakPolarHBondContact CA-O 3.45Å; I709-A729 HydrophobicContact CG2-CB 3.98Å; I709-F731 HydrophobicContact CB-CD2 4.49Å; I709-F731 HydrophobicContact CB-CE2 4.18Å; I709-F731 HydrophobicContact CD1-CD2 4.39Å; I709-F731 HydrophobicContact CD1-CE2 3.98Å; I709-F731 HydrophobicContact CG2-CE2 4.32Å; I709-V744 HydrophobicContact CD1-CG2 3.63Å
710	C	97.3	Very high	93.5	Very high	2 Å²	2	47 Å²	47	1%	0.014	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	147.2	176.2	-66.6	0	0	0	0	110.7	V680 I714 V727 A729 I730 F731	V680-C710 CarbonylContact O-C 3.58Å; V680-C710 WeakPolarHBondContact O-CA 3.29Å; C710-I714 HydrophobicContact CB-CD1 3.65Å; C710-V727 HydrophobicContact CB-CG1 4.23Å; C710-A729 PolarHBondContact N-O 2.96Å; C710-I730 CarbonylContact O-C 3.54Å; C710-I730 VanDerWaalsContact O-CA 3.3Å; C710-I730 WeakPolarHBondContact O-CA 3.43Å; C710-F731 PolarHBondContact O-N 2.99Å
711	G	94.6	Very high	93.4	Very high	14 Å²	14	44.7 Å²	44.7	14%	0.144	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	165.9	168.8	0	0	0	0	0	112.6	V680 S681 T682 F731	V680-G711 PolarHBondContact O-N 3.12Å; S681-G711 CarbonylContact C-O 3.58Å; S681-G711 WeakPolarHBondContact CA-O 3.2Å; T682-G711 PolarHBondContact N-O 3.14Å; G711-F731 WeakPolarHBondContact CA-O 3.45Å
712	G	91.7	Very high	93.4	Very high	19 Å²	19	43 Å²	43	20%	0.196	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	110.3	-157.3	-171.9	0	0	0	0	0	111.6	T682 I714 F731 P733	T682-G712 CarbonylContact O-C 3.46Å; T682-G712 WeakPolarHBondContact O-CA 3.38Å; G712-I714 PolarHBondContact O-N 3.43Å; G712-I714 VanDerWaalsContact O-N 3.1Å; G712-F731 PolarHBondContact N-O 3.27Å; G712-P733 WeakPolarHBondContact O-CD 3.32Å
713	V	89.4	Confident	93.4	Very high	39 Å²	39	41 Å²	41	24%	0.236	21%	0.214	C	C	.	.	S	Bend	trans	-81.5	94.1	-175	-178.1	0	0	0	0	109.1	A399 T682 L683	A399-V713 WeakPolarHBondContact O-CG1 3.43Å; T682-V713 PolarHBondContact O-N 3.45Å; L683-V713 HydrophobicContact CD2-CG2 4.38Å; L683-V713 HydrophobicContact CG-CG2 4.34Å
714	I	89.6	Confident	93.4	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	24%	0.237	C	C	.	.			trans	-123.8	117	178.6	-57.6	174.8	0	0	0	107	T682 C710 G712 D718 Y719 L722 I730	T682-I714 HydrophobicContact CG2-CD1 3.7Å; T682-I714 HydrophobicContact CG2-CG1 3.81Å; C710-I714 HydrophobicContact CB-CD1 3.65Å; G712-I714 PolarHBondContact O-N 3.43Å; G712-I714 VanDerWaalsContact O-N 3.1Å; I714-D718 HydrophobicContact CG2-CB 4.33Å; I714-Y719 HydrophobicContact CB-CE1 3.95Å; I714-Y719 HydrophobicContact CG2-CD1 3.81Å; I714-Y719 HydrophobicContact CG2-CE1 3.62Å; I714-Y719 WeakPolarHBondContact O-CE1 3.24Å; I714-L722 HydrophobicContact CD1-CD1 4.14Å; I714-L722 HydrophobicContact CG2-CD1 3.72Å; I714-I730 HydrophobicContact CD1-CG2 3.99Å
715	P	85.6	Confident	93.4	Very high	15 Å²	15	42.5 Å²	42.5	10%	0.097	22%	0.218	C	C	.	.			trans	-60.3	137	176.5	-26.8	36.7	0	0	0	111.4	Q717 D718 Y719	P715-Q717 HydrophobicContact CB-CG 3.9Å; P715-Q717 PolarHBondContact O-N 3.21Å; P715-D718 PolarHBondContact O-N 2.8Å; P715-Y719 WeakPolarHBondContact O-CD1 3.2Å
716	P	84.6	Confident	93.4	Very high	71 Å²	71	42 Å²	42	46%	0.461	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-53.6	-31.5	-179.7	-30.8	36.2	0	0	0	114.5	D718 Y719	P716-D718 PolarHBondContact O-N 2.85Å; P716-Y719 WeakPolarHBondContact O-CB 3.4Å; P716-Y719 PolarHBondContact O-N 3.11Å; P716-Y719 VanDerWaalsContact O-N 3.17Å
717	Q	86.8	Confident	93.3	Very high	102 Å²	102	41.9 Å²	41.9	48%	0.477	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-63.6	-19.6	176.2	65.9	-143.9	17.8	0	0	114.7	P715	P715-Q717 HydrophobicContact CB-CG 3.9Å; P715-Q717 PolarHBondContact O-N 3.21Å
718	D	90.3	Very high	93.2	Very high	18 Å²	18	42.5 Å²	42.5	10%	0.096	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-91.9	-5.7	177.7	-71.8	-29.2	0	0	0	113.1	H687 K688 I714 P715 P716 F721 L722	H687-D718 IonicContact CD2-OD2 3.8Å; H687-D718 IonicContact CE1-OD2 2.76Å; H687-D718 IonicContact NE2-OD2 3.07Å; H687-D718 PolarHBondContact NE2-OD2 3.15Å; K688-D718 WeakPolarHBondContact CD-OD1 3.23Å; K688-D718 WeakPolarHBondContact CE-OD1 3.1Å; K688-D718 IonicContact NZ-OD1 3.1Å; K688-D718 PolarHBondContact NZ-OD1 3.23Å; I714-D718 HydrophobicContact CG2-CB 4.33Å; P715-D718 PolarHBondContact O-N 2.8Å; P716-D718 PolarHBondContact O-N 2.85Å; D718-F721 PolarHBondContact O-N 3.02Å; D718-L722 WeakPolarHBondContact O-CG 3.24Å; D718-L722 PolarHBondContact O-N 3.28Å; D718-L722 VanDerWaalsContact O-N 3.14Å
719	Y	91.8	Very high	93.1	Very high	50 Å²	50	42.4 Å²	42.4	20%	0.196	23%	0.229	C	C	.	.	H	α-helix	trans	-64	-47.9	-172.9	-79.3	27.3	0	0	0	111.7	I714 P715 P716 F721 L722 Y723 I730	I714-Y719 HydrophobicContact CB-CE1 3.95Å; I714-Y719 HydrophobicContact CG2-CD1 3.81Å; I714-Y719 HydrophobicContact CG2-CE1 3.62Å; I714-Y719 WeakPolarHBondContact O-CE1 3.24Å; P715-Y719 WeakPolarHBondContact O-CD1 3.2Å; P716-Y719 WeakPolarHBondContact O-CB 3.4Å; P716-Y719 PolarHBondContact O-N 3.11Å; P716-Y719 VanDerWaalsContact O-N 3.17Å; Y719-F721 VanDerWaalsContact C-N 3.28Å; Y719-F721 PolarHBondContact O-N 2.91Å; Y719-L722 PolarHBondContact O-N 3.36Å; Y719-L722 VanDerWaalsContact O-N 3.07Å; Y719-Y723 WeakPolarHBondContact O-CD2 3.25Å; Y719-Y723 PolarHBondContact O-N 3.02Å; Y719-I730 HydrophobicContact CD1-CD1 3.88Å; Y719-I730 HydrophobicContact CD1-CG2 4.2Å; Y719-I730 HydrophobicContact CD2-CB 4.33Å; Y719-I730 HydrophobicContact CD2-CD1 3.95Å; Y719-I730 HydrophobicContact CD2-CG2 4.33Å; Y719-I730 HydrophobicContact CE1-CD1 4.45Å; Y719-I730 HydrophobicContact CE1-CG2 3.69Å; Y719-I730 HydrophobicContact CE2-CB 4.14Å; Y719-I730 HydrophobicContact CE2-CG2 3.85Å; Y719-I730 HydrophobicContact CG-CD1 3.59Å; Y719-I730 HydrophobicContact CG-CG2 4.5Å
720	E	94.5	Very high	93	Very high	117 Å²	117	42.6 Å²	42.6	55%	0.547	23%	0.231	S	C	.	.	H	α-helix	trans	-59.1	-40.8	179.9	-176.1	57.6	-150.9	0	0	111.6	L722 Y723 Q724	E720-L722 VanDerWaalsContact C-N 3.35Å; E720-L722 PolarHBondContact O-N 3.49Å; E720-Y723 PolarHBondContact O-N 3Å; E720-Q724 WeakPolarHBondContact O-CB 3.44Å; E720-Q724 VanDerWaalsContact O-CG 3.25Å; E720-Q724 WeakPolarHBondContact O-CG 3.45Å; E720-Q724 PolarHBondContact O-N 3.07Å; E720-Q724 PolarHBondContact OE1-NE2 3.03Å
721	F	94.9	Very high	92.9	Very high	77 Å²	77	43.9 Å²	43.9	34%	0.338	24%	0.236	S	C	.	.	H	α-helix	trans	-61.4	-42.2	175.3	171.3	-89.7	0	0	0	112.2	K688 P692 D718 Y719 Q724 S725	K688-F721 HydrophobicContact CB-CD1 4.46Å; K688-F721 HydrophobicContact CB-CE1 3.95Å; K688-F721 HydrophobicContact CG-CD1 4.24Å; K688-F721 HydrophobicContact CG-CE1 4.23Å; P692-F721 HydrophobicContact CG-CE1 4Å; P692-F721 HydrophobicContact CG-CZ 4.14Å; D718-F721 PolarHBondContact O-N 3.02Å; Y719-F721 VanDerWaalsContact C-N 3.28Å; Y719-F721 PolarHBondContact O-N 2.91Å; F721-Q724 PolarHBondContact O-N 3.35Å; F721-S725 WeakPolarHBondContact O-CB 3.26Å; F721-S725 PolarHBondContact O-N 3.03Å; F721-S725 PolarHBondContact O-OG 3.34Å
722	L	96.3	Very high	92.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.2	-42	178.9	-70.7	176.3	0	0	0	111.8	H687 V691 I714 D718 Y719 E720 S725 G726 V727 I730	H687-L722 HydrophobicContact CB-CD2 4.44Å; V691-L722 HydrophobicContact CB-CD2 4.23Å; V691-L722 HydrophobicContact CG1-CD2 4.29Å; I714-L722 HydrophobicContact CD1-CD1 4.14Å; I714-L722 HydrophobicContact CG2-CD1 3.72Å; D718-L722 WeakPolarHBondContact O-CG 3.24Å; D718-L722 PolarHBondContact O-N 3.28Å; D718-L722 VanDerWaalsContact O-N 3.14Å; Y719-L722 PolarHBondContact O-N 3.36Å; Y719-L722 VanDerWaalsContact O-N 3.07Å; E720-L722 VanDerWaalsContact C-N 3.35Å; E720-L722 PolarHBondContact O-N 3.49Å; L722-S725 WeakPolarHBondContact O-CB 3.46Å; L722-S725 PolarHBondContact O-N 2.9Å; L722-S725 VanDerWaalsContact O-N 3.15Å; L722-G726 PolarHBondContact O-N 2.88Å; L722-V727 HydrophobicContact CB-CB 4.27Å; L722-V727 HydrophobicContact CB-CG2 4.02Å; L722-V727 HydrophobicContact CD2-CG2 4.48Å; L722-V727 WeakPolarHBondContact O-CB 3.43Å; L722-V727 WeakPolarHBondContact O-CG2 3.37Å; L722-V727 PolarHBondContact O-N 3.13Å; L722-V727 VanDerWaalsContact O-N 3.07Å; L722-I730 HydrophobicContact CB-CD1 3.98Å; L722-I730 HydrophobicContact CD1-CD1 4Å
723	Y	96.7	Very high	92.4	Very high	96 Å²	96	44.8 Å²	44.8	38%	0.376	24%	0.238	S	C	.	.	H	α-helix	trans	-60.3	-46.5	174	-69.7	-56.2	0	0	0	111.6	Y719 E720 S725 G726 V727 I730	Y719-Y723 WeakPolarHBondContact O-CD2 3.25Å; Y719-Y723 PolarHBondContact O-N 3.02Å; E720-Y723 PolarHBondContact O-N 3Å; Y723-S725 PolarHBondContact O-N 2.84Å; Y723-G726 PolarHBondContact O-N 3.38Å; Y723-V727 WeakPolarHBondContact CD1-O 3.37Å; Y723-I730 HydrophobicContact CD2-CD1 4.37Å; Y723-I730 HydrophobicContact CE1-CD1 4.22Å; Y723-I730 HydrophobicContact CE1-CG1 4.16Å; Y723-I730 HydrophobicContact CE2-CD1 3.9Å
724	Q	96.2	Very high	92.3	Very high	142 Å²	142	44.6 Å²	44.6	66%	0.664	24%	0.244	S	C	*	.	H	α-helix	trans	-62	-29.3	175.7	-71.3	174.8	8.4	0	0	112.9	E720 F721 G726	E720-Q724 WeakPolarHBondContact O-CB 3.44Å; E720-Q724 VanDerWaalsContact O-CG 3.25Å; E720-Q724 WeakPolarHBondContact O-CG 3.45Å; E720-Q724 PolarHBondContact O-N 3.07Å; E720-Q724 PolarHBondContact OE1-NE2 3.03Å; F721-Q724 PolarHBondContact O-N 3.35Å; Q724-G726 VanDerWaalsContact C-N 3.26Å; Q724-G726 PolarHBondContact O-N 3.42Å
725	S	94.5	Very high	92.3	Very high	25 Å²	25	46.3 Å²	46.3	18%	0.175	26%	0.255	C	S	.	.	H	α-helix	trans	-74.2	-16.5	175.4	-60.6	0	0	0	0	113.3	I695 F721 L722 Y723	I695-S725 VanDerWaalsContact CD1-O 3.24Å; I695-S725 WeakPolarHBondContact CD1-O 3.48Å; F721-S725 WeakPolarHBondContact O-CB 3.26Å; F721-S725 PolarHBondContact O-N 3.03Å; F721-S725 PolarHBondContact O-OG 3.34Å; L722-S725 WeakPolarHBondContact O-CB 3.46Å; L722-S725 PolarHBondContact O-N 2.9Å; L722-S725 VanDerWaalsContact O-N 3.15Å; Y723-S725 PolarHBondContact O-N 2.84Å
726	G	94.6	Very high	92.6	Very high	37 Å²	37	48.6 Å²	48.6	38%	0.381	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	113.7	12.7	177	0	0	0	0	0	115.4	L722 Y723 Q724	L722-G726 PolarHBondContact O-N 2.88Å; Y723-G726 PolarHBondContact O-N 3.38Å; Q724-G726 VanDerWaalsContact C-N 3.26Å; Q724-G726 PolarHBondContact O-N 3.42Å
727	V	97.1	Very high	92.9	Very high	6 Å²	6	45.3 Å²	45.3	4%	0.036	24%	0.24	C	C	.	.			trans	-70.5	138.1	170.5	177.3	0	0	0	0	109.3	V691 I695 V708 C710 L722 Y723 A729 I730	V691-V727 HydrophobicContact CG1-CG2 3.47Å; V691-V727 VanDerWaalsContact CG1-CG2 3.47Å; I695-V727 HydrophobicContact CD1-CG2 4.26Å; V708-V727 HydrophobicContact CG1-CG2 4.47Å; V708-V727 CarbonylContact O-C 3.6Å; V708-V727 WeakPolarHBondContact O-CA 3.47Å; C710-V727 HydrophobicContact CB-CG1 4.23Å; L722-V727 HydrophobicContact CB-CB 4.27Å; L722-V727 HydrophobicContact CB-CG2 4.02Å; L722-V727 HydrophobicContact CD2-CG2 4.48Å; L722-V727 WeakPolarHBondContact O-CB 3.43Å; L722-V727 WeakPolarHBondContact O-CG2 3.37Å; L722-V727 PolarHBondContact O-N 3.13Å; L722-V727 VanDerWaalsContact O-N 3.07Å; Y723-V727 WeakPolarHBondContact CD1-O 3.37Å; V727-A729 VanDerWaalsContact CG1-O 3.26Å; V727-A729 WeakPolarHBondContact CG1-O 3.33Å; V727-I730 HydrophobicContact CG1-CG1 4.01Å
728	C	95	Very high	93.1	Very high	42 Å²	42	40.7 Å²	40.7	28%	0.284	22%	0.219	S	C	.	.			trans	-95.7	-28.3	-178.7	64.8	0	0	0	0	114.3	V708 I709	V708-C728 PolarHBondContact O-N 2.82Å; V708-C728 PolarHBondContact O-SG 3.27Å; V708-C728 VanDerWaalsContact O-SG 3.38Å; I709-C728 WeakPolarHBondContact CG2-SG 3.42Å
729	A	95.6	Very high	93	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.017	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	151.9	176.2	0	0	0	0	0	111.4	I709 C710 V727 F731	I709-A729 WeakPolarHBondContact CA-O 3.45Å; I709-A729 HydrophobicContact CG2-CB 3.98Å; C710-A729 PolarHBondContact N-O 2.96Å; V727-A729 VanDerWaalsContact CG1-O 3.26Å; V727-A729 WeakPolarHBondContact CG1-O 3.33Å; A729-F731 HydrophobicContact CB-CE2 3.84Å; A729-F731 HydrophobicContact CB-CZ 3.99Å
730	I	95.8	Very high	93	Very high	17 Å²	17	42.3 Å²	42.3	9%	0.087	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	125.4	179.2	-57.8	172.2	0	0	0	109	C710 I714 Y719 L722 Y723 V727	C710-I730 CarbonylContact O-C 3.54Å; C710-I730 VanDerWaalsContact O-CA 3.3Å; C710-I730 WeakPolarHBondContact O-CA 3.43Å; I714-I730 HydrophobicContact CD1-CG2 3.99Å; Y719-I730 HydrophobicContact CD1-CD1 3.88Å; Y719-I730 HydrophobicContact CD1-CG2 4.2Å; Y719-I730 HydrophobicContact CD2-CB 4.33Å; Y719-I730 HydrophobicContact CD2-CD1 3.95Å; Y719-I730 HydrophobicContact CD2-CG2 4.33Å; Y719-I730 HydrophobicContact CE1-CD1 4.45Å; Y719-I730 HydrophobicContact CE1-CG2 3.69Å; Y719-I730 HydrophobicContact CE2-CB 4.14Å; Y719-I730 HydrophobicContact CE2-CG2 3.85Å; Y719-I730 HydrophobicContact CG-CD1 3.59Å; Y719-I730 HydrophobicContact CG-CG2 4.5Å; L722-I730 HydrophobicContact CB-CD1 3.98Å; L722-I730 HydrophobicContact CD1-CD1 4Å; Y723-I730 HydrophobicContact CD2-CD1 4.37Å; Y723-I730 HydrophobicContact CE1-CD1 4.22Å; Y723-I730 HydrophobicContact CE1-CG1 4.16Å; Y723-I730 HydrophobicContact CE2-CD1 3.9Å; V727-I730 HydrophobicContact CG1-CG1 4.01Å
731	F	94.5	Very high	92.8	Very high	28 Å²	28	37 Å²	37	12%	0.123	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	97.5	-177.5	-62.2	-74.6	0	0	0	111	I709 C710 G711 G712 A729 T735 A740 E743 V744	I709-F731 HydrophobicContact CB-CD2 4.49Å; I709-F731 HydrophobicContact CB-CE2 4.18Å; I709-F731 HydrophobicContact CD1-CD2 4.39Å; I709-F731 HydrophobicContact CD1-CE2 3.98Å; I709-F731 HydrophobicContact CG2-CE2 4.32Å; C710-F731 PolarHBondContact O-N 2.99Å; G711-F731 WeakPolarHBondContact CA-O 3.45Å; G712-F731 PolarHBondContact N-O 3.27Å; A729-F731 HydrophobicContact CB-CE2 3.84Å; A729-F731 HydrophobicContact CB-CZ 3.99Å; F731-T735 HydrophobicContact CB-CG2 4.13Å; F731-T735 HydrophobicContact CD1-CG2 3.72Å; F731-T735 HydrophobicContact CG-CG2 4.3Å; F731-A740 HydrophobicContact CD1-CB 3.88Å; F731-A740 HydrophobicContact CE1-CB 3.69Å; F731-A740 HydrophobicContact CZ-CB 4.2Å; F731-E743 HydrophobicContact CE1-CB 4.39Å; F731-E743 HydrophobicContact CE1-CG 4.43Å; F731-E743 WeakPolarHBondContact CE1-OE2 3.08Å; F731-E743 HydrophobicContact CZ-CB 4.27Å; F731-E743 HydrophobicContact CZ-CG 4.2Å; F731-V744 HydrophobicContact CE2-CG2 3.99Å; F731-V744 HydrophobicContact CZ-CG2 4Å
732	G	88.1	Confident	92.5	Very high	13 Å²	13	35 Å²	35	13%	0.134	20%	0.198	C	C	.	.			trans	-79.2	174.7	179.5	0	0	0	0	0	114.5	G734 T735	G732-G734 PolarHBondContact O-N 3.46Å; G732-T735 WeakPolarHBondContact O-CB 3.42Å; G732-T735 PolarHBondContact O-N 3.47Å; G732-T735 PolarHBondContact O-OG1 2.87Å
733	P	87.8	Confident	92.3	Very high	39 Å²	39	38.5 Å²	38.5	25%	0.253	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.6	135.4	168.4	-29.5	29.7	0	0	0	113.8	E366 Q367 G712	E366-P733 HydrophobicContact CB-CB 4.04Å; E366-P733 HydrophobicContact CB-CG 4.23Å; E366-P733 WeakPolarHBondContact OE2-CD 3.33Å; E366-P733 WeakPolarHBondContact OE2-CG 3.21Å; Q367-P733 PolarHBondContact NE2-O 3.19Å; G712-P733 WeakPolarHBondContact O-CD 3.32Å
734	G	87.3	Confident	92.2	Very high	35 Å²	35	34 Å²	34	36%	0.361	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	-0.2	-179.4	0	0	0	0	0	115.5	G732 R736	G732-G734 PolarHBondContact O-N 3.46Å; G734-R736 PolarHBondContact O-N 3.11Å
735	T	90.5	Very high	92	Very high	41 Å²	41	27.3 Å²	27.3	25%	0.252	17%	0.166	S	C	.	.			trans	-59.9	128.8	171.8	-63.9	0	0	0	0	111.3	F731 G732 A740	F731-T735 HydrophobicContact CB-CG2 4.13Å; F731-T735 HydrophobicContact CD1-CG2 3.72Å; F731-T735 HydrophobicContact CG-CG2 4.3Å; G732-T735 WeakPolarHBondContact O-CB 3.42Å; G732-T735 PolarHBondContact O-N 3.47Å; G732-T735 PolarHBondContact O-OG1 2.87Å; T735-A740 HydrophobicContact CG2-CB 3.76Å
736	R	91.8	Very high	91.9	Very high	62 Å²	62	28.4 Å²	28.4	23%	0.234	17%	0.17	C	C	.	.			trans	-81.7	128.4	174	-64.1	176.2	72	-145.4	-4.7	110.2	D486 E602 G734 Q739 A740	D486-R736 PolarHBondContact O-NE 3.38Å; D486-R736 PolarHBondContact O-NH2 3.28Å; D486-R736 WeakPolarHBondContact OD2-CA 3.41Å; E602-R736 IonicContact OE1-CZ 3.69Å; E602-R736 IonicContact OE1-NH1 3.66Å; E602-R736 IonicContact OE1-NH2 3.23Å; E602-R736 PolarHBondContact OE1-NH2 3.5Å; E602-R736 VanDerWaalsContact OE1-NH2 3.07Å; E602-R736 IonicContact OE2-NH2 3.81Å; G734-R736 PolarHBondContact O-N 3.11Å; R736-Q739 HydrophobicContact CB-CB 4.27Å; R736-Q739 WeakPolarHBondContact O-CB 3.49Å; R736-Q739 PolarHBondContact O-N 2.77Å; R736-Q739 VanDerWaalsContact O-N 3.14Å; R736-A740 PolarHBondContact O-N 3.31Å
737	I	91.9	Very high	91.8	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-54.5	-48.2	-177.8	-57.7	-173.8	0	0	0	112.4	Q482 D486 Y593 V642 I643 F647 L650 Q739 A740 A741	Q482-I737 HydrophobicContact CG-CD1 4.05Å; Q482-I737 HydrophobicContact CG-CG1 4.38Å; D486-I737 PolarHBondContact OD2-N 3.04Å; Y593-I737 HydrophobicContact CD2-CD1 3.94Å; Y593-I737 HydrophobicContact CE2-CD1 3.56Å; Y593-I737 HydrophobicContact CE2-CG1 4.25Å; V642-I737 HydrophobicContact CG1-CD1 3.68Å; I643-I737 HydrophobicContact CD1-CG1 4.1Å; F647-I737 HydrophobicContact CD2-CG2 3.76Å; F647-I737 HydrophobicContact CE2-CG2 3.86Å; L650-I737 HydrophobicContact CD1-CG2 4.29Å; I737-Q739 PolarHBondContact O-N 3.3Å; I737-A740 PolarHBondContact O-N 2.67Å; I737-A741 WeakPolarHBondContact O-CB 3.26Å; I737-A741 PolarHBondContact O-N 2.88Å
738	P	88.9	Confident	91.7	Very high	5 Å²	5	28.2 Å²	28.2	3%	0.032	16%	0.16	C	C	.	.	H	α-helix	trans	-67.2	-25.2	-176.1	-23.4	37.8	0	0	0	113.4	Y593 F597 R609 V742	Y593-P738 WeakPolarHBondContact OH-CD 3.24Å; F597-P738 HydrophobicContact CE2-CG 4.42Å; R609-P738 PolarHBondContact NE-O 3.37Å; R609-P738 VanDerWaalsContact NE-O 3.14Å; P738-V742 WeakPolarHBondContact O-CG2 2.92Å
739	Q	88.6	Confident	91.6	Very high	100 Å²	100	28.4 Å²	28.4	47%	0.467	16%	0.157	S	C	.	.	H	α-helix	trans	-74.7	-49	174.1	179.1	-178.3	-10.7	0	0	110.4	R736 I737 A741 V742 E743	R736-Q739 HydrophobicContact CB-CB 4.27Å; R736-Q739 WeakPolarHBondContact O-CB 3.49Å; R736-Q739 PolarHBondContact O-N 2.77Å; R736-Q739 VanDerWaalsContact O-N 3.14Å; I737-Q739 PolarHBondContact O-N 3.3Å; Q739-A741 VanDerWaalsContact C-N 3.26Å; Q739-A741 PolarHBondContact O-N 3.45Å; Q739-V742 PolarHBondContact O-N 2.97Å; Q739-E743 PolarHBondContact O-N 2.69Å
740	A	91.9	Very high	91.4	Very high	3 Å²	3	34 Å²	34	3%	0.025	18%	0.18	C	C	.	.	H	α-helix	trans	-58.4	-39.5	177.7	0	0	0	0	0	112.1	F647 F731 T735 R736 I737 V742 E743 V744	F647-A740 HydrophobicContact CE2-CB 4.39Å; F647-A740 HydrophobicContact CZ-CB 4.15Å; F731-A740 HydrophobicContact CD1-CB 3.88Å; F731-A740 HydrophobicContact CE1-CB 3.69Å; F731-A740 HydrophobicContact CZ-CB 4.2Å; T735-A740 HydrophobicContact CG2-CB 3.76Å; R736-A740 PolarHBondContact O-N 3.31Å; I737-A740 PolarHBondContact O-N 2.67Å; A740-V742 VanDerWaalsContact C-N 3.33Å; A740-V742 PolarHBondContact O-N 2.92Å; A740-E743 PolarHBondContact O-N 3.1Å; A740-V744 WeakPolarHBondContact O-CB 3.05Å; A740-V744 VanDerWaalsContact O-CG2 3.27Å; A740-V744 WeakPolarHBondContact O-CG2 3.21Å; A740-V744 PolarHBondContact O-N 2.92Å
741	A	91	Very high	91.2	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.033	19%	0.185	C	C	.	.	H	α-helix	trans	-58.8	-41.8	178	0	0	0	0	0	112.9	F647 L650 F652 I737 Q739 I745	F647-A741 HydrophobicContact CE1-CB 4.13Å; F647-A741 HydrophobicContact CE2-CB 4.22Å; F647-A741 HydrophobicContact CZ-CB 3.97Å; L650-A741 HydrophobicContact CD1-CB 3.64Å; F652-A741 HydrophobicContact CE2-CB 4.05Å; F652-A741 HydrophobicContact CZ-CB 4.38Å; I737-A741 WeakPolarHBondContact O-CB 3.26Å; I737-A741 PolarHBondContact O-N 2.88Å; Q739-A741 VanDerWaalsContact C-N 3.26Å; Q739-A741 PolarHBondContact O-N 3.45Å; A741-I745 WeakPolarHBondContact O-CG1 3.31Å; A741-I745 PolarHBondContact O-N 2.83Å; A741-I745 VanDerWaalsContact O-N 3.16Å
742	V	88.8	Confident	91	Very high	35 Å²	35	34.9 Å²	34.9	21%	0.212	19%	0.189	C	C	.	.	H	α-helix	trans	-66.6	-46.9	177.1	176	0	0	0	0	110.9	R609 P738 Q739 A740 V744 I745 D746	R609-V742 HydrophobicContact CG-CG2 3.54Å; P738-V742 WeakPolarHBondContact O-CG2 2.92Å; Q739-V742 PolarHBondContact O-N 2.97Å; A740-V742 VanDerWaalsContact C-N 3.33Å; A740-V742 PolarHBondContact O-N 2.92Å; V742-V744 VanDerWaalsContact C-N 3.28Å; V742-V744 PolarHBondContact O-N 3.03Å; V742-I745 PolarHBondContact O-N 3.23Å; V742-I745 VanDerWaalsContact O-N 3.13Å; V742-D746 PolarHBondContact O-N 3.21Å
743	E	91.7	Very high	91.1	Very high	74 Å²	74	39.3 Å²	39.3	35%	0.346	21%	0.206	S	C	.	.	H	α-helix	trans	-62.5	-37.1	-179	-173.8	174.9	164.8	0	0	111.9	F731 Q739 A740 D746 N747	F731-E743 HydrophobicContact CE1-CB 4.39Å; F731-E743 HydrophobicContact CE1-CG 4.43Å; F731-E743 WeakPolarHBondContact CE1-OE2 3.08Å; F731-E743 HydrophobicContact CZ-CB 4.27Å; F731-E743 HydrophobicContact CZ-CG 4.2Å; Q739-E743 PolarHBondContact O-N 2.69Å; A740-E743 PolarHBondContact O-N 3.1Å; E743-D746 PolarHBondContact O-N 3.41Å; E743-N747 WeakPolarHBondContact O-CB 3.42Å; E743-N747 PolarHBondContact O-N 3.29Å; E743-N747 PolarHBondContact O-ND2 3.04Å
744	V	93.9	Very high	91.1	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.012	22%	0.224	C	C	.	.	H	α-helix	trans	-64.2	-44.3	173.6	171.6	0	0	0	0	111.3	F647 F652 I709 F731 A740 V742 N747 I748	F647-V744 HydrophobicContact CE1-CB 4.28Å; F647-V744 HydrophobicContact CE1-CG1 4.47Å; F647-V744 HydrophobicContact CE1-CG2 4.21Å; F647-V744 HydrophobicContact CZ-CG2 4.35Å; F652-V744 HydrophobicContact CE1-CG1 4.12Å; I709-V744 HydrophobicContact CD1-CG2 3.63Å; F731-V744 HydrophobicContact CE2-CG2 3.99Å; F731-V744 HydrophobicContact CZ-CG2 4Å; A740-V744 WeakPolarHBondContact O-CB 3.05Å; A740-V744 VanDerWaalsContact O-CG2 3.27Å; A740-V744 WeakPolarHBondContact O-CG2 3.21Å; A740-V744 PolarHBondContact O-N 2.92Å; V742-V744 VanDerWaalsContact C-N 3.28Å; V742-V744 PolarHBondContact O-N 3.03Å; V744-N747 PolarHBondContact O-N 3.11Å; V744-I748 HydrophobicContact CG1-CD1 3.81Å; V744-I748 HydrophobicContact CG1-CG1 4.49Å; V744-I748 VanDerWaalsContact O-CG1 3.26Å; V744-I748 WeakPolarHBondContact O-CG1 3.49Å; V744-I748 PolarHBondContact O-N 2.87Å
745	I	92.6	Very high	91	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-48.5	176	-67.5	163.7	0	0	0	110.6	R612 V613 F616 F652 A741 V742 N747 I748 E749	R612-I745 HydrophobicContact CB-CD1 4.36Å; V613-I745 HydrophobicContact CG2-CD1 3.57Å; F616-I745 HydrophobicContact CD2-CG2 4.2Å; F652-I745 HydrophobicContact CE1-CG1 4.31Å; F652-I745 HydrophobicContact CE2-CD1 3.99Å; F652-I745 HydrophobicContact CE2-CG1 4.25Å; F652-I745 HydrophobicContact CZ-CD1 3.84Å; F652-I745 HydrophobicContact CZ-CG1 3.59Å; A741-I745 WeakPolarHBondContact O-CG1 3.31Å; A741-I745 PolarHBondContact O-N 2.83Å; A741-I745 VanDerWaalsContact O-N 3.16Å; V742-I745 PolarHBondContact O-N 3.23Å; V742-I745 VanDerWaalsContact O-N 3.13Å; I745-N747 VanDerWaalsContact C-N 3.25Å; I745-N747 PolarHBondContact O-N 3.45Å; I745-I748 PolarHBondContact O-N 2.67Å; I745-I748 VanDerWaalsContact O-N 3.11Å; I745-E749 HydrophobicContact CG2-CG 4.2Å; I745-E749 WeakPolarHBondContact CG2-OE1 3.47Å; I745-E749 WeakPolarHBondContact O-CG 3.47Å; I745-E749 PolarHBondContact O-N 3.45Å
746	D	92	Very high	90.8	Very high	48 Å²	48	50.3 Å²	50.3	26%	0.257	24%	0.236	S	C	.	.	H	α-helix	trans	-57	-40.6	179.3	-72.4	-27.1	0	0	0	111.6	R612 V742 E743 K750	R612-D746 IonicContact CZ-OD1 2.65Å; R612-D746 VanDerWaalsContact CZ-OD1 3.22Å; R612-D746 IonicContact NH1-OD1 3.71Å; R612-D746 PolarHBondContact NH1-OD1 2.93Å; R612-D746 IonicContact NH2-OD1 2.9Å; R612-D746 PolarHBondContact NH2-OD1 3.08Å; V742-D746 PolarHBondContact O-N 3.21Å; E743-D746 PolarHBondContact O-N 3.41Å; D746-K750 WeakPolarHBondContact O-CB 3.18Å; D746-K750 WeakPolarHBondContact O-CD 3.39Å; D746-K750 WeakPolarHBondContact O-CG 3.38Å; D746-K750 PolarHBondContact O-N 2.81Å
747	N	93.4	Very high	90.4	Very high	34 Å²	34	54.9 Å²	54.9	18%	0.182	26%	0.26	C	S	.	.	H	α-helix	trans	-69.1	-39.9	177.8	-76.8	-45.6	0	0	0	112.4	L707 E743 V744 I745 S751	L707-N747 HydrophobicContact CD1-CB 4.2Å; L707-N747 WeakPolarHBondContact CD1-O 3.5Å; E743-N747 WeakPolarHBondContact O-CB 3.42Å; E743-N747 PolarHBondContact O-N 3.29Å; E743-N747 PolarHBondContact O-ND2 3.04Å; V744-N747 PolarHBondContact O-N 3.11Å; I745-N747 VanDerWaalsContact C-N 3.25Å; I745-N747 PolarHBondContact O-N 3.45Å; N747-S751 WeakPolarHBondContact O-CB 3.39Å; N747-S751 PolarHBondContact O-N 2.65Å; N747-S751 VanDerWaalsContact O-N 3.08Å
748	I	93.9	Very high	89.7	Confident	5 Å²	5	59 Å²	59	3%	0.026	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-50	175.4	-65.7	164	0	0	0	110.1	F616 H676 C677 L707 V744 I745 K750 S751 L752	F616-I748 HydrophobicContact CE2-CB 4.4Å; F616-I748 HydrophobicContact CE2-CG2 3.67Å; F616-I748 HydrophobicContact CZ-CG2 3.85Å; H676-I748 HydrophobicContact CB-CD1 3.89Å; H676-I748 HydrophobicContact CB-CG1 4.13Å; H676-I748 HydrophobicContact CB-CG2 3.9Å; C677-I748 HydrophobicContact CB-CD1 4.26Å; C677-I748 HydrophobicContact CB-CG1 4.44Å; L707-I748 HydrophobicContact CD1-CB 4.46Å; L707-I748 HydrophobicContact CD1-CG1 3.97Å; V744-I748 HydrophobicContact CG1-CD1 3.81Å; V744-I748 HydrophobicContact CG1-CG1 4.49Å; V744-I748 VanDerWaalsContact O-CG1 3.26Å; V744-I748 WeakPolarHBondContact O-CG1 3.49Å; V744-I748 PolarHBondContact O-N 2.87Å; I745-I748 PolarHBondContact O-N 2.67Å; I745-I748 VanDerWaalsContact O-N 3.11Å; I748-K750 PolarHBondContact O-N 3.32Å; I748-S751 WeakPolarHBondContact O-CB 3.43Å; I748-S751 PolarHBondContact O-N 3.35Å; I748-S751 VanDerWaalsContact O-N 3.11Å; I748-L752 HydrophobicContact CG2-CD1 3.85Å; I748-L752 HydrophobicContact CG2-CG 4.3Å; I748-L752 WeakPolarHBondContact O-CG 3.39Å; I748-L752 PolarHBondContact O-N 3.03Å
749	E	92.9	Very high	88.8	Confident	46 Å²	46	69.1 Å²	69.1	22%	0.215	34%	0.343	C	S	.	.	H	α-helix	trans	-59.2	-47	180	-72.7	176.1	172.2	0	0	111.6	R612 F616 I745 S751 L752 E753	R612-E749 IonicContact CZ-OE2 2.67Å; R612-E749 IonicContact NH2-OE1 2.64Å; R612-E749 IonicContact NH2-OE2 3.22Å; R612-E749 PolarHBondContact NH2-OE2 2.9Å; F616-E749 HydrophobicContact CD2-CG 3.79Å; F616-E749 HydrophobicContact CE2-CG 4.08Å; I745-E749 HydrophobicContact CG2-CG 4.2Å; I745-E749 WeakPolarHBondContact CG2-OE1 3.47Å; I745-E749 WeakPolarHBondContact O-CG 3.47Å; I745-E749 PolarHBondContact O-N 3.45Å; E749-S751 VanDerWaalsContact C-N 3.27Å; E749-S751 PolarHBondContact O-N 2.81Å; E749-L752 PolarHBondContact O-N 3.13Å; E749-E753 WeakPolarHBondContact O-CG 3.43Å; E749-E753 PolarHBondContact O-N 2.65Å
750	K	92.6	Very high	88.8	Confident	119 Å²	119	67.6 Å²	67.6	52%	0.517	34%	0.337	S	S	.	.	H	α-helix	trans	-59.2	-36.3	175.3	-74.3	169.5	-171.6	168.6	0	112.9	D746 I748 K754	D746-K750 WeakPolarHBondContact O-CB 3.18Å; D746-K750 WeakPolarHBondContact O-CD 3.39Å; D746-K750 WeakPolarHBondContact O-CG 3.38Å; D746-K750 PolarHBondContact O-N 2.81Å; I748-K750 PolarHBondContact O-N 3.32Å; K750-K754 WeakPolarHBondContact O-CG 3.41Å; K750-K754 PolarHBondContact O-N 3.37Å
751	S	91.6	Very high	88.6	Confident	27 Å²	27	70.9 Å²	70.9	19%	0.189	35%	0.353	C	S	.	.	H	α-helix	trans	-68.7	-46.5	176.9	-167.3	0	0	0	0	111.2	N747 I748 E749 E753 K754 L755	N747-S751 WeakPolarHBondContact O-CB 3.39Å; N747-S751 PolarHBondContact O-N 2.65Å; N747-S751 VanDerWaalsContact O-N 3.08Å; I748-S751 WeakPolarHBondContact O-CB 3.43Å; I748-S751 PolarHBondContact O-N 3.35Å; I748-S751 VanDerWaalsContact O-N 3.11Å; E749-S751 VanDerWaalsContact C-N 3.27Å; E749-S751 PolarHBondContact O-N 2.81Å; S751-E753 VanDerWaalsContact C-N 3.35Å; S751-E753 PolarHBondContact O-N 3.12Å; S751-K754 PolarHBondContact O-N 2.94Å; S751-L755 WeakPolarHBondContact O-CG 3.33Å; S751-L755 PolarHBondContact O-N 3.29Å
752	L	90.3	Very high	88.5	Confident	37 Å²	37	74.7 Å²	74.7	19%	0.194	37%	0.371	C	S	.	.	H	α-helix	trans	-63.5	-38.7	178.1	-68.2	174.2	0	0	0	112.2	F616 E620 I748 E749 L755 R756	F616-L752 HydrophobicContact CE2-CD1 4.19Å; F616-L752 HydrophobicContact CZ-CD1 4.25Å; E620-L752 HydrophobicContact CG-CD1 4.11Å; I748-L752 HydrophobicContact CG2-CD1 3.85Å; I748-L752 HydrophobicContact CG2-CG 4.3Å; I748-L752 WeakPolarHBondContact O-CG 3.39Å; I748-L752 PolarHBondContact O-N 3.03Å; E749-L752 PolarHBondContact O-N 3.13Å; L752-L755 HydrophobicContact CD2-CD1 4.45Å; L752-L755 PolarHBondContact O-N 3.03Å; L752-R756 VanDerWaalsContact O-CG 3.31Å; L752-R756 WeakPolarHBondContact O-CG 3.36Å; L752-R756 PolarHBondContact O-N 2.92Å
753	E	90.6	Very high	88.5	Confident	106 Å²	106	77 Å²	77	50%	0.495	38%	0.381	S	S	.	.	H	α-helix	trans	-61.7	-43.4	173.9	-76.1	-179.7	174.3	0	0	112.2	E749 S751 L755 R756 Q757	E749-E753 WeakPolarHBondContact O-CG 3.43Å; E749-E753 PolarHBondContact O-N 2.65Å; S751-E753 VanDerWaalsContact C-N 3.35Å; S751-E753 PolarHBondContact O-N 3.12Å; E753-L755 VanDerWaalsContact C-N 3.33Å; E753-L755 PolarHBondContact O-N 3.31Å; E753-R756 PolarHBondContact O-N 3.06Å; E753-Q757 WeakPolarHBondContact O-CG 3.48Å; E753-Q757 PolarHBondContact O-N 3.14Å
754	K	87.3	Confident	88.3	Confident	147 Å²	147	77.2 Å²	77.2	64%	0.639	38%	0.383	S	S	*	.	H	α-helix	trans	-63	-40.2	175.9	-74	175.6	-177.4	-179.7	0	112	K750 S751 Q757 A758	K750-K754 WeakPolarHBondContact O-CG 3.41Å; K750-K754 PolarHBondContact O-N 3.37Å; S751-K754 PolarHBondContact O-N 2.94Å; K754-Q757 PolarHBondContact O-N 3.47Å; K754-A758 WeakPolarHBondContact O-CB 3.31Å; K754-A758 PolarHBondContact O-N 3.33Å
755	L	84.8	Confident	87.9	Confident	71 Å²	71	82.2 Å²	82.2	37%	0.372	41%	0.408	S	S	.	.	H	α-helix	trans	-63.7	-44	175.6	-71.3	166.2	0	0	0	111.1	D705 S751 L752 E753 Q757 A758 M759	D705-L755 HydrophobicContact CB-CD1 3.85Å; S751-L755 WeakPolarHBondContact O-CG 3.33Å; S751-L755 PolarHBondContact O-N 3.29Å; L752-L755 HydrophobicContact CD2-CD1 4.45Å; L752-L755 PolarHBondContact O-N 3.03Å; E753-L755 VanDerWaalsContact C-N 3.33Å; E753-L755 PolarHBondContact O-N 3.31Å; L755-Q757 VanDerWaalsContact C-N 3.28Å; L755-Q757 PolarHBondContact O-N 2.95Å; L755-A758 PolarHBondContact O-N 3.29Å; L755-A758 VanDerWaalsContact O-N 3.14Å; L755-M759 WeakPolarHBondContact O-CG 3.4Å; L755-M759 PolarHBondContact O-N 3.25Å
756	R	86.1	Confident	87.6	Confident	128 Å²	128	87.9 Å²	87.9	48%	0.483	44%	0.436	S	S	.	.	H	α-helix	trans	-62.8	-31.8	175	-72.9	171.8	-179.8	165.4	1.7	113.5	E620 L752 E753	E620-R756 IonicContact OE1-CZ 3.36Å; E620-R756 IonicContact OE1-NH1 3.32Å; E620-R756 PolarHBondContact OE1-NH1 2.95Å; E620-R756 IonicContact OE1-NH2 2.65Å; E620-R756 PolarHBondContact OE1-NH2 3.11Å; E620-R756 IonicContact OE2-CZ 3.89Å; E620-R756 IonicContact OE2-NH2 2.81Å; E620-R756 PolarHBondContact OE2-NH2 3.15Å; L752-R756 VanDerWaalsContact O-CG 3.31Å; L752-R756 WeakPolarHBondContact O-CG 3.36Å; L752-R756 PolarHBondContact O-N 2.92Å; E753-R756 PolarHBondContact O-N 3.06Å
757	Q	84.8	Confident	87.2	Confident	158 Å²	158	91 Å²	91	74%	0.738	45%	0.45	S	S	*	.	H	α-helix	trans	-77.8	-24.2	175.5	-72.6	174.7	10.2	0	0	113	E753 K754 L755	E753-Q757 WeakPolarHBondContact O-CG 3.48Å; E753-Q757 PolarHBondContact O-N 3.14Å; K754-Q757 PolarHBondContact O-N 3.47Å; L755-Q757 VanDerWaalsContact C-N 3.28Å; L755-Q757 PolarHBondContact O-N 2.95Å
758	A	76.6	Confident	86.7	Confident	88 Å²	88	95.8 Å²	95.8	73%	0.727	47%	0.472	S	S	*	.	H	α-helix	trans	-87.4	-21.5	179.3	0	0	0	0	0	113.4	K754 L755	K754-A758 WeakPolarHBondContact O-CB 3.31Å; K754-A758 PolarHBondContact O-N 3.33Å; L755-A758 PolarHBondContact O-N 3.29Å; L755-A758 VanDerWaalsContact O-N 3.14Å
759	M	69.4	Low	86.1	Confident	217 Å²	217	104 Å²	104	100%	1.069	51%	0.513	S	S	*	.			trans	-82.9	0	169.6	-68	-179.9	69.8	0	0	111.1	L755	L755-M759 WeakPolarHBondContact O-CG 3.4Å; L755-M759 PolarHBondContact O-N 3.25Å

Retrieved 759 of 759 residues in 1315.7 ms (Link to these results)

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