A0A077Z3V6_TRITR Loading...

Thyroglobulin 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z3V6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 499 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	26.2	Very low	26.9	Very low	246 Å²	246	157.1 Å²	157.1	100%	1.212	79%	0.787	S	S	*	*				0	156.8	0	-94.5	-155.6	158.2	0	0	109.3
2	P	45.3	Very low	26.9	Very low	98 Å²	98	153.2 Å²	153.2	64%	0.636	78%	0.778	S	S	*	*			trans	-107.2	168.1	-132.4	39.5	-34.6	0	0	0	114.3
3	E	33.2	Very low	26.8	Very low	201 Å²	201	150.8 Å²	150.8	94%	0.939	78%	0.784	S	S	*	*			trans	-129.6	97.5	143.4	-85.5	-176	165.8	0	0	108.2
4	T	25.7	Very low	26.4	Very low	102 Å²	102	147.6 Å²	147.6	63%	0.626	77%	0.774	S	S	*	*			trans	-62.2	129.4	173.3	39.6	0	0	0	0	110.2	F6	T4-F6 PolarHBondContact O-N 3.08Å; T4-F6 VanDerWaalsContact O-N 3.1Å
5	A	22.6	Very low	26.1	Very low	99 Å²	99	146.1 Å²	146.1	82%	0.818	77%	0.774	S	S	*	*			trans	-52.7	113.4	161	0	0	0	0	0	109	V7	A5-V7 PolarHBondContact O-N 3.08Å; A5-V7 VanDerWaalsContact O-N 3.14Å
6	F	21.7	Very low	25.7	Very low	194 Å²	194	151.7 Å²	151.7	85%	0.851	78%	0.781	S	S	*	*			trans	-65.7	110.4	169.9	-90.7	-94.3	0	0	0	108.7	T4 E8	T4-F6 PolarHBondContact O-N 3.08Å; T4-F6 VanDerWaalsContact O-N 3.1Å; F6-E8 PolarHBondContact O-N 3.42Å
7	V	20.5	Very low	25.6	Very low	131 Å²	131	151.7 Å²	151.7	79%	0.794	78%	0.781	S	S	*	*			trans	-68.2	108.7	153.5	174.6	0	0	0	0	106	A5 D9	A5-V7 PolarHBondContact O-N 3.08Å; A5-V7 VanDerWaalsContact O-N 3.14Å; V7-D9 PolarHBondContact O-N 3.33Å
8	E	25.9	Very low	25.5	Very low	139 Å²	139	149.4 Å²	149.4	65%	0.65	78%	0.78	S	S	*	*			trans	-90	91	168.9	-146	178.8	178.6	0	0	108.6	F6 R10	F6-E8 PolarHBondContact O-N 3.42Å; E8-R10 HydrophobicContact CG-CG 4.33Å; E8-R10 PolarHBondContact O-N 2.76Å; E8-R10 IonicContact OE1-CZ 2.81Å; E8-R10 IonicContact OE1-NE 3.98Å; E8-R10 PolarHBondContact OE1-NE 2.98Å; E8-R10 IonicContact OE1-NH2 3.66Å; E8-R10 PolarHBondContact OE1-NH2 2.97Å
9	D	20.6	Very low	25.4	Very low	115 Å²	115	151.3 Å²	151.3	62%	0.615	79%	0.785	S	S	*	*			trans	-73.6	102.6	158.7	175.5	11.6	0	0	0	108	V7 R11	V7-D9 PolarHBondContact O-N 3.33Å; D9-R11 PolarHBondContact OD1-N 2.79Å
10	R	27.4	Very low	25.4	Very low	202 Å²	202	149.8 Å²	149.8	76%	0.762	78%	0.784	S	S	*	*			trans	-112.1	79	158.9	-72.7	-170.4	-168	-168.3	5.3	108.8	E8 T12	E8-R10 HydrophobicContact CG-CG 4.33Å; E8-R10 PolarHBondContact O-N 2.76Å; E8-R10 IonicContact OE1-CZ 2.81Å; E8-R10 IonicContact OE1-NE 3.98Å; E8-R10 PolarHBondContact OE1-NE 2.98Å; E8-R10 IonicContact OE1-NH2 3.66Å; E8-R10 PolarHBondContact OE1-NH2 2.97Å; R10-T12 PolarHBondContact O-N 3.49Å; R10-T12 VanDerWaalsContact O-N 3.17Å
11	R	27.3	Very low	25.3	Very low	201 Å²	201	149.6 Å²	149.6	76%	0.758	79%	0.79	S	S	*	*			trans	6.6	99.3	139.2	-63.4	-179.1	-173.3	-173.6	1.2	113.5	D9 S13	D9-R11 PolarHBondContact OD1-N 2.79Å; R11-S13 PolarHBondContact O-N 3.22Å
12	T	26.7	Very low	25.2	Very low	110 Å²	110	146.9 Å²	146.9	68%	0.675	77%	0.774	S	S	*	*			trans	2.5	109.3	131	52.4	0	0	0	0	113.5	R10 T14	R10-T12 PolarHBondContact O-N 3.49Å; R10-T12 VanDerWaalsContact O-N 3.17Å; T12-T14 PolarHBondContact O-N 2.84Å
13	S	25.5	Very low	24.1	Very low	122 Å²	122	152.8 Å²	152.8	85%	0.853	78%	0.784	S	S	*	*			trans	-65.1	75.6	160.9	-42.9	0	0	0	0	108.4	R11 V15	R11-S13 PolarHBondContact O-N 3.22Å; S13-V15 PolarHBondContact O-N 3.46Å; S13-V15 VanDerWaalsContact O-N 3.11Å
14	T	21.1	Very low	23.8	Very low	106 Å²	106	148.8 Å²	148.8	65%	0.65	78%	0.775	S	S	*	*			trans	-73.5	101.3	174.2	51.8	0	0	0	0	108.6	T12	T12-T14 PolarHBondContact O-N 2.84Å
15	V	22	Very low	23.7	Very low	126 Å²	126	152.2 Å²	152.2	76%	0.764	78%	0.784	S	S	*	*			trans	-100.1	101.2	157.2	-179.8	0	0	0	0	106.4	S13 I17	S13-V15 PolarHBondContact O-N 3.46Å; S13-V15 VanDerWaalsContact O-N 3.11Å; V15-I17 HydrophobicContact CG1-CD1 4.39Å; V15-I17 HydrophobicContact CG1-CG1 4.32Å
16	R	19.8	Very low	23.7	Very low	235 Å²	235	156.8 Å²	156.8	89%	0.887	79%	0.788	S	S	*	*			trans	-78	118	173.3	-73	-178.5	176.9	158.4	-1.2	108.8
17	I	24.3	Very low	24	Very low	152 Å²	152	153.4 Å²	153.4	78%	0.779	78%	0.783	S	S	*	*			trans	-136.3	127	157.6	-56.8	177.7	0	0	0	106.6	V15	V15-I17 HydrophobicContact CG1-CD1 4.39Å; V15-I17 HydrophobicContact CG1-CG1 4.32Å
18	S	22.7	Very low	24.2	Very low	110 Å²	110	153.9 Å²	153.9	77%	0.769	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-62.6	143.2	-167.3	41.7	0	0	0	0	115
19	E	23.2	Very low	24.3	Very low	186 Å²	186	155.6 Å²	155.6	87%	0.869	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-57.2	135.6	174.6	-65.3	168.6	167.3	0	0	113.2
20	P	25.9	Very low	24.6	Very low	120 Å²	120	153.9 Å²	153.9	78%	0.779	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-83.1	127.2	152.6	16.3	-0.4	0	0	0	109.1	E22	P20-E22 PolarHBondContact O-N 3.13Å; P20-E22 VanDerWaalsContact O-N 3.11Å
21	T	23.8	Very low	24.6	Very low	146 Å²	146	149.1 Å²	149.1	90%	0.896	80%	0.797	S	S	*	*			trans	-57.9	107.2	177.8	16.3	0	0	0	0	111.6
22	E	24.4	Very low	24.6	Very low	189 Å²	189	142.5 Å²	142.5	88%	0.883	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-71.8	128.8	163.6	-85.5	-177.3	162.6	0	0	109.9	P20	P20-E22 PolarHBondContact O-N 3.13Å; P20-E22 VanDerWaalsContact O-N 3.11Å
23	R	22.3	Very low	24.6	Very low	223 Å²	223	142.4 Å²	142.4	84%	0.842	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-88.2	127.7	168.5	-160.2	-177.8	-65.3	-148.3	1.2	107	H25	R23-H25 PolarHBondContact O-N 3.32Å
24	P	25.6	Very low	24.8	Very low	116 Å²	116	146 Å²	146	75%	0.753	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-74.9	123.3	-168.9	28.5	-32.3	0	0	0	110.5
25	H	25.4	Very low	25.1	Very low	175 Å²	175	145.8 Å²	145.8	81%	0.81	80%	0.8	S	S	*	*			trans	-91.4	108.1	161.2	-82.7	-80.3	0	0	0	107.8	R23 V27	R23-H25 PolarHBondContact O-N 3.32Å; H25-V27 PolarHBondContact O-N 3.16Å; H25-V27 VanDerWaalsContact O-N 3.15Å
26	E	21.8	Very low	25.6	Very low	194 Å²	194	141.6 Å²	141.6	91%	0.907	78%	0.782	S	S	*	*			trans	-56.3	111.5	170.1	-80.7	174.5	142	0	0	109.7
27	V	28.4	Very low	26.5	Very low	124 Å²	124	137.1 Å²	137.1	75%	0.752	78%	0.784	S	S	*	*			trans	-92.6	110.1	167	177.7	0	0	0	0	106.8	H25 E29	H25-V27 PolarHBondContact O-N 3.16Å; H25-V27 VanDerWaalsContact O-N 3.15Å; V27-E29 PolarHBondContact O-N 2.86Å
28	T	24.7	Very low	27.2	Very low	141 Å²	141	137.7 Å²	137.7	87%	0.865	79%	0.788	S	S	*	*			trans	-75.8	100.8	172.5	20.2	0	0	0	0	109.7	G30	T28-G30 PolarHBondContact O-N 2.82Å
29	E	26.6	Very low	27.6	Very low	175 Å²	175	136 Å²	136	82%	0.818	79%	0.787	S	S	*	*			trans	-70.7	115	170	-67.3	-177.3	158.7	0	0	110.5	V27	V27-E29 PolarHBondContact O-N 2.86Å
30	G	27.6	Very low	28	Very low	78 Å²	78	132.2 Å²	132.2	80%	0.804	78%	0.777	S	S	*	*			trans	-96.5	98.8	174.6	0	0	0	0	0	111.9	T28 G32	T28-G30 PolarHBondContact O-N 2.82Å; G30-G32 PolarHBondContact O-N 3.15Å
31	V	26.7	Very low	27.9	Very low	103 Å²	103	131.4 Å²	131.4	62%	0.624	77%	0.77	S	S	*	*			trans	-80.2	102.6	172.6	179.4	0	0	0	0	109.7
32	G	28.2	Very low	28.2	Very low	62 Å²	62	128.8 Å²	128.8	64%	0.639	75%	0.753	S	S	*	*			trans	-84.9	128.5	171.4	0	0	0	0	0	112	G30	G30-G32 PolarHBondContact O-N 3.15Å
33	T	26.9	Very low	28.4	Very low	107 Å²	107	124.4 Å²	124.4	66%	0.656	74%	0.736	S	S	*	*			trans	-109.4	133	179.3	-2.4	0	0	0	0	110.8	T41	T33-T41 HydrophobicContact CG2-CG2 4.45Å
34	F	28.9	Very low	28.8	Very low	199 Å²	199	119 Å²	119	87%	0.873	72%	0.72	S	S	*	*			trans	-130.1	134.3	168.8	-129.4	-85.8	0	0	0	110.7	G36	F34-G36 PolarHBondContact O-N 3.14Å
35	A	28.6	Very low	29.1	Very low	101 Å²	101	120 Å²	120	84%	0.835	71%	0.71	S	S	*	*			trans	-83.1	107.5	-177.6	0	0	0	0	0	110.9
36	G	31.4	Very low	29.1	Very low	38 Å²	38	116.7 Å²	116.7	39%	0.392	70%	0.701	S	S	.	*			trans	-86	164.1	170.5	0	0	0	0	0	112.7	F34 L38 G39	F34-G36 PolarHBondContact O-N 3.14Å; G36-L38 PolarHBondContact O-N 3.1Å; G36-G39 PolarHBondContact O-N 2.87Å
37	P	39.2	Very low	29.5	Very low	140 Å²	140	112.8 Å²	112.8	91%	0.909	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.8	5.3	-165.7	-16.1	30.4	0	0	0	116.5
38	L	39.5	Very low	29.2	Very low	165 Å²	165	111.4 Å²	111.4	86%	0.864	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-133	19.3	178.5	-71.2	171.6	0	0	0	113.4	G36 V40	G36-L38 PolarHBondContact O-N 3.1Å; L38-V40 PolarHBondContact O-N 2.97Å; L38-V40 VanDerWaalsContact O-N 3.14Å
39	G	30.3	Very low	29.2	Very low	74 Å²	74	111 Å²	111	76%	0.763	68%	0.676	S	S	*	*			trans	68.3	12.9	170.5	0	0	0	0	0	115.8	G36	G36-G39 PolarHBondContact O-N 2.87Å
40	V	31	Very low	29.2	Very low	107 Å²	107	108.2 Å²	108.2	65%	0.648	67%	0.671	S	S	*	*			trans	-91.8	119	174.4	-176	0	0	0	0	109.5	L38 V42	L38-V40 PolarHBondContact O-N 2.97Å; L38-V40 VanDerWaalsContact O-N 3.14Å; V40-V42 HydrophobicContact CG1-CG2 4.45Å
41	T	25	Very low	28.9	Very low	103 Å²	103	110.1 Å²	110.1	63%	0.632	66%	0.663	S	S	*	*			trans	-81.8	124.8	173.9	48	0	0	0	0	110.3	T33	T33-T41 HydrophobicContact CG2-CG2 4.45Å
42	V	28.8	Very low	29	Very low	90 Å²	90	107.8 Å²	107.8	55%	0.545	65%	0.651	S	S	.	*			trans	-119.3	117.2	173.5	-177.6	0	0	0	0	108.8	V40 H44	V40-V42 HydrophobicContact CG1-CG2 4.45Å; V42-H44 PolarHBondContact O-N 2.61Å; V42-H44 PolarHBondContact O-ND1 2.83Å
43	N	29.8	Very low	28.7	Very low	98 Å²	98	110.8 Å²	110.8	52%	0.524	65%	0.648	S	S	.	*			trans	-67.4	126.3	173.8	-67.6	-8.9	0	0	0	109.2	Y45	N43-Y45 HydrophobicContact CB-CE2 4.34Å
44	H	29.9	Very low	28.7	Very low	108 Å²	108	111.4 Å²	111.4	50%	0.5	65%	0.646	S	S	.	*			trans	-101.6	137.1	167.5	-71.9	72.6	0	0	0	108.7	V42	V42-H44 PolarHBondContact O-N 2.61Å; V42-H44 PolarHBondContact O-ND1 2.83Å
45	Y	31.6	Very low	28.4	Very low	139 Å²	139	108.1 Å²	108.1	55%	0.545	63%	0.634	S	S	.	*			trans	-99	109.8	174.9	-70.4	-99.3	0	0	0	108.3	N43 Q362	N43-Y45 HydrophobicContact CB-CE2 4.34Å; Y45-Q362 HydrophobicContact CE2-CG 4.41Å; Y45-Q362 PolarHBondContact OH-NE2 3.28Å
46	V	25.6	Very low	28.2	Very low	105 Å²	105	110 Å²	110	64%	0.636	63%	0.629	S	S	*	*			trans	-91.2	108.5	163.2	-179.5	0	0	0	0	105.4	P48	V46-P48 WeakPolarHBondContact O-CD 3.32Å
47	I	29.9	Very low	27.8	Very low	111 Å²	111	113.5 Å²	113.5	57%	0.569	64%	0.642	S	S	*	*			trans	-84.9	106.1	168.4	-58.1	174.3	0	0	0	105	V49	I47-V49 PolarHBondContact O-N 2.8Å
48	P	22.2	Very low	27.2	Very low	96 Å²	96	112.2 Å²	112.2	62%	0.623	63%	0.634	S	S	*	*			trans	-58	133.2	171	24.8	-31.3	0	0	0	107.4	V46 V50	V46-P48 WeakPolarHBondContact O-CD 3.32Å; P48-V50 VanDerWaalsContact C-N 3.26Å; P48-V50 PolarHBondContact O-N 3.29Å
49	V	25.2	Very low	26.6	Very low	132 Å²	132	108.3 Å²	108.3	80%	0.8	62%	0.62	S	S	*	*			trans	-53.9	97.3	171.5	-178.1	0	0	0	0	106.4	I47 D51	I47-V49 PolarHBondContact O-N 2.8Å; V49-D51 PolarHBondContact O-N 3.26Å
50	V	26.5	Very low	26.6	Very low	117 Å²	117	108.8 Å²	108.8	71%	0.709	61%	0.61	S	S	*	*			trans	-60.6	114.3	167.6	178.5	0	0	0	0	103.2	P48 S52	P48-V50 VanDerWaalsContact C-N 3.26Å; P48-V50 PolarHBondContact O-N 3.29Å; V50-S52 PolarHBondContact O-N 3.46Å
51	D	22.4	Very low	26.7	Very low	117 Å²	117	112.4 Å²	112.4	63%	0.626	62%	0.624	S	S	*	*			trans	-49.1	94.5	170.9	-170.8	16.6	0	0	0	106.6	V49 Q53	V49-D51 PolarHBondContact O-N 3.26Å; D51-Q53 PolarHBondContact O-N 3.04Å; D51-Q53 PolarHBondContact OD2-NE2 2.91Å
52	S	27.8	Very low	27.4	Very low	54 Å²	54	111.1 Å²	111.1	38%	0.378	63%	0.631	S	S	.	*			trans	-75.1	75.5	178.5	54.2	0	0	0	0	105.3	V50 I54 Y317	V50-S52 PolarHBondContact O-N 3.46Å; S52-I54 PolarHBondContact O-N 3.34Å; S52-Y317 PolarHBondContact OG-OH 2.88Å
53	Q	23.3	Very low	27.5	Very low	126 Å²	126	113.3 Å²	113.3	59%	0.589	63%	0.633	S	S	*	*			trans	-65.2	71.2	158.5	-65.8	-173.8	6.9	0	0	107	D51 H55	D51-Q53 PolarHBondContact O-N 3.04Å; D51-Q53 PolarHBondContact OD2-NE2 2.91Å; Q53-H55 PolarHBondContact O-N 3.03Å
54	I	25.8	Very low	27.7	Very low	119 Å²	119	114.4 Å²	114.4	61%	0.61	64%	0.64	S	S	*	*			trans	-66.6	71	143.3	-53.7	174.2	0	0	0	104.1	S52 L56	S52-I54 PolarHBondContact O-N 3.34Å; I54-L56 VanDerWaalsContact C-N 3.26Å; I54-L56 HydrophobicContact CG2-CG 4.49Å; I54-L56 PolarHBondContact O-N 3.46Å
55	H	23.5	Very low	28.1	Very low	131 Å²	131	113.9 Å²	113.9	61%	0.606	64%	0.644	S	S	*	*			trans	-57.9	111.7	143.7	-79.7	-67.6	0	0	0	103.3	Q53 V57	Q53-H55 PolarHBondContact O-N 3.03Å; H55-V57 HydrophobicContact CB-CG2 3.86Å; H55-V57 PolarHBondContact O-N 3.06Å
56	L	23.6	Very low	28.4	Very low	140 Å²	140	112.2 Å²	112.2	73%	0.733	65%	0.652	S	S	*	*			trans	-56.4	77.2	154.2	-71.9	162.1	0	0	0	105.6	I54 P58	I54-L56 VanDerWaalsContact C-N 3.26Å; I54-L56 HydrophobicContact CG2-CG 4.49Å; I54-L56 PolarHBondContact O-N 3.46Å; L56-P58 WeakPolarHBondContact O-CD 3.36Å
57	V	23.8	Very low	28.9	Very low	111 Å²	111	113.7 Å²	113.7	67%	0.673	65%	0.652	S	S	*	*			trans	-67.6	112.2	167.9	180	0	0	0	0	102.9	H55 S59	H55-V57 HydrophobicContact CB-CG2 3.86Å; H55-V57 PolarHBondContact O-N 3.06Å; V57-S59 PolarHBondContact O-N 3.2Å
58	P	25.8	Very low	29.4	Very low	113 Å²	113	114.3 Å²	114.3	73%	0.734	66%	0.656	S	S	*	*			trans	-55	129.4	177.3	-18.6	31.3	0	0	0	107.1	L56 P60	L56-P58 WeakPolarHBondContact O-CD 3.36Å; P58-P60 VanDerWaalsContact O-N 3.1Å
59	S	26.1	Very low	30	Very low	83 Å²	83	112.2 Å²	112.2	58%	0.58	64%	0.639	S	S	*	*			trans	-43.6	121.6	-178.1	-173	0	0	0	0	109.6	V57 I61	V57-S59 PolarHBondContact O-N 3.2Å; S59-I61 PolarHBondContact O-N 3.43Å
60	P	31.8	Very low	30.7	Very low	85 Å²	85	109.5 Å²	109.5	55%	0.552	63%	0.63	S	S	*	*			trans	-58.9	121.8	177.1	20.8	-29	0	0	0	107.8	P58 G62	P58-P60 VanDerWaalsContact O-N 3.1Å; P60-G62 PolarHBondContact O-N 2.76Å; P60-G62 VanDerWaalsContact O-N 3.11Å
61	I	33.1	Very low	31.1	Very low	182 Å²	182	109.6 Å²	109.6	93%	0.933	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.5	118.8	179.5	-64.3	164.7	0	0	0	108	S59	S59-I61 PolarHBondContact O-N 3.43Å
62	G	38.3	Very low	32.3	Very low	77 Å²	77	107.1 Å²	107.1	79%	0.794	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	110.4	-1.6	168.3	0	0	0	0	0	117.8	P60	P60-G62 PolarHBondContact O-N 2.76Å; P60-G62 VanDerWaalsContact O-N 3.11Å
63	K	32.5	Very low	33.2	Very low	135 Å²	135	112.5 Å²	112.5	59%	0.587	64%	0.644	S	S	*	*			trans	-91.4	124	168.4	-69.7	-163.8	175.8	-170.2	0	111.5
64	N	33.8	Very low	34.7	Very low	122 Å²	122	109.8 Å²	109.8	65%	0.652	63%	0.633	S	S	*	*			trans	-62.9	134.4	177.9	-107.2	-29.5	0	0	0	109.8	S66 E67	N64-S66 PolarHBondContact O-N 2.92Å; N64-E67 PolarHBondContact O-N 2.05Å
65	V	38.1	Very low	36.2	Very low	97 Å²	97	110 Å²	110	59%	0.588	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-53.3	-22.3	177.5	179.7	0	0	0	0	112.6	E67 L68	V65-E67 VanDerWaalsContact C-N 3.31Å; V65-E67 PolarHBondContact O-N 3.47Å; V65-L68 PolarHBondContact O-N 3.39Å
66	S	36.4	Very low	38	Very low	103 Å²	103	106.2 Å²	106.2	72%	0.72	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-67.1	-21.9	174.2	-49.9	0	0	0	0	114.7	N64	N64-S66 PolarHBondContact O-N 2.92Å
67	E	37.4	Very low	40	Very low	137 Å²	137	102.6 Å²	102.6	64%	0.64	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-81.3	-21.2	174.9	-71.2	-178.2	171.7	0	0	112.7	N64 V65 I69	N64-E67 PolarHBondContact O-N 2.05Å; V65-E67 VanDerWaalsContact C-N 3.31Å; V65-E67 PolarHBondContact O-N 3.47Å; E67-I69 VanDerWaalsContact C-N 3.33Å
68	L	39.2	Very low	42	Very low	123 Å²	123	98.3 Å²	98.3	64%	0.644	59%	0.588	S	S	*	*	S	Bend	trans	-81.7	-10.4	-177.5	-82.9	141.2	0	0	0	113.6	V65	V65-L68 PolarHBondContact O-N 3.39Å
69	I	35.6	Very low	44	Very low	52 Å²	52	93.3 Å²	93.3	27%	0.267	55%	0.554	S	S	.	*			trans	-129.8	86.8	-175.2	-51.5	174.5	0	0	0	108	E67 R288	E67-I69 VanDerWaalsContact C-N 3.33Å; I69-R288 HydrophobicContact CD1-CG 4.24Å; I69-R288 VanDerWaalsContact CG2-CZ 3.47Å; I69-R288 VanDerWaalsContact CG2-NE 3.26Å
70	A	40.4	Very low	45.9	Very low	75 Å²	75	93 Å²	93	62%	0.62	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-58.3	140.6	167.7	0	0	0	0	0	109.6	L72	A70-L72 PolarHBondContact O-N 2.89Å
71	P	34.8	Very low	47.6	Very low	119 Å²	119	91.5 Å²	91.5	77%	0.773	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-57.3	132.9	170.3	23.4	-30.2	0	0	0	109.2	D73	P71-D73 PolarHBondContact O-N 3.09Å
72	L	47.6	Very low	49.5	Very low	65 Å²	65	82.9 Å²	82.9	34%	0.34	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-77	119.2	171.3	-86.8	151.9	0	0	0	107.8	A70 I74 L284	A70-L72 PolarHBondContact O-N 2.89Å; L72-I74 HydrophobicContact CB-CG1 4.07Å; L72-I74 PolarHBondContact O-N 3.29Å; L72-L284 HydrophobicContact CD1-CB 3.79Å; L72-L284 HydrophobicContact CD1-CD1 3.41Å; L72-L284 VanDerWaalsContact CD1-CD1 3.41Å; L72-L284 HydrophobicContact CD1-CG 4.25Å; L72-L284 HydrophobicContact CD2-CD1 3.34Å; L72-L284 HydrophobicContact CG-CD1 3.84Å
73	D	46.3	Very low	51.1	Low	168 Å²	168	80.2 Å²	80.2	90%	0.898	46%	0.458	S	S	*	.			trans	-72.4	104.9	160	-82.1	-31	0	0	0	107.6	P71	P71-D73 PolarHBondContact O-N 3.09Å
74	I	54.2	Low	53	Low	69 Å²	69	79.9 Å²	79.9	35%	0.354	46%	0.456	S	S	.	.			trans	-93	115.2	177.2	-59.2	171	0	0	0	107.5	L72 C76 L138	L72-I74 HydrophobicContact CB-CG1 4.07Å; L72-I74 PolarHBondContact O-N 3.29Å; I74-C76 PolarHBondContact O-N 2.04Å; I74-C76 VanDerWaalsContact O-N 3.17Å; I74-L138 HydrophobicContact CD1-CB 4.11Å; I74-L138 HydrophobicContact CD1-CD1 3.34Å; I74-L138 HydrophobicContact CD1-CG 4.3Å
75	D	57.3	Low	54.9	Low	124 Å²	124	74.7 Å²	74.7	66%	0.663	43%	0.428	S	S	*	.			trans	-75.7	101.4	172.1	-177.7	16.8	0	0	0	110.5	S77	D75-S77 VanDerWaalsContact C-N 3.26Å; D75-S77 PolarHBondContact O-N 2.83Å; D75-S77 WeakPolarHBondContact OD1-CB 3.46Å; D75-S77 PolarHBondContact OD1-N 3.45Å; D75-S77 PolarHBondContact OD1-OG 3.45Å; D75-S77 PolarHBondContact OD2-OG 3.29Å
76	C	61.3	Low	56.6	Low	50 Å²	50	70 Å²	70	34%	0.338	40%	0.4	S	S	.	.			trans	-84.3	10.7	175.6	-65	0	0	0	0	113.7	I74 Y79 N80 C139	I74-C76 PolarHBondContact O-N 2.04Å; I74-C76 VanDerWaalsContact O-N 3.17Å; C76-Y79 PolarHBondContact O-N 3.12Å; C76-N80 WeakPolarHBondContact O-CB 3.36Å; C76-N80 PolarHBondContact O-N 3.3Å; C76-C139 VanDerWaalsContact CA-SG 3.52Å; C76-C139 HydrophobicContact CB-CB 3.81Å; C76-C139 WeakPolarHBondContact CB-SG 3.4Å; C76-C139 WeakPolarHBondContact SG-CB 3.28Å; C76-C139 CovalentContact SG-SG 2.05Å; C76-C139 PolarHBondContact SG-SG 2.93Å
77	S	66.1	Low	58.4	Low	64 Å²	64	65.8 Å²	65.8	45%	0.448	37%	0.368	S	S	.	.	H	α-helix	trans	-58.2	-49.8	-177.3	66.7	0	0	0	0	112.5	D75 Y79 N80 V81	D75-S77 VanDerWaalsContact C-N 3.26Å; D75-S77 PolarHBondContact O-N 2.83Å; D75-S77 WeakPolarHBondContact OD1-CB 3.46Å; D75-S77 PolarHBondContact OD1-N 3.45Å; D75-S77 PolarHBondContact OD1-OG 3.45Å; D75-S77 PolarHBondContact OD2-OG 3.29Å; S77-Y79 PolarHBondContact O-N 2.9Å; S77-N80 PolarHBondContact O-N 3.22Å; S77-V81 WeakPolarHBondContact O-CG2 3.26Å; S77-V81 PolarHBondContact O-N 3.47Å; S77-V81 VanDerWaalsContact O-N 3.12Å
78	G	64.9	Low	59.9	Low	21 Å²	21	67 Å²	67	22%	0.216	37%	0.367	C	S	.	.	H	α-helix	trans	-61.9	-43.6	179.5	0	0	0	0	0	113	N80 V81 R82	G78-N80 PolarHBondContact O-N 2.84Å; G78-V81 PolarHBondContact O-N 2.87Å; G78-R82 PolarHBondContact O-N 3.23Å
79	Y	67.6	Low	61.4	Low	9 Å²	9	61.5 Å²	61.5	4%	0.035	34%	0.338	C	S	.	.	H	α-helix	trans	-60.5	-46.2	176.4	179.7	-100.2	0	0	0	112.3	C76 S77 V81 R82 F83 M128 L133 N134 C139 D140 P141 H144	C76-Y79 PolarHBondContact O-N 3.12Å; S77-Y79 PolarHBondContact O-N 2.9Å; Y79-V81 VanDerWaalsContact C-N 3.31Å; Y79-V81 PolarHBondContact O-N 2.84Å; Y79-R82 PolarHBondContact O-N 2.85Å; Y79-F83 PolarHBondContact O-N 3.26Å; Y79-M128 HydrophobicContact CE2-CE 3.84Å; Y79-M128 WeakPolarHBondContact OH-CE 3.42Å; Y79-L133 VanDerWaalsContact CB-O 3.27Å; Y79-L133 WeakPolarHBondContact CB-O 3.41Å; Y79-L133 WeakPolarHBondContact CD2-O 3.37Å; Y79-N134 HydrophobicContact CD2-CB 3.8Å; Y79-N134 HydrophobicContact CE2-CB 3.77Å; Y79-C139 HydrophobicContact CD1-CB 3.48Å; Y79-C139 VanDerWaalsContact CD1-CB 3.48Å; Y79-C139 WeakPolarHBondContact CD1-O 3.35Å; Y79-C139 HydrophobicContact CD2-CB 4.3Å; Y79-C139 HydrophobicContact CE1-CB 4.06Å; Y79-C139 WeakPolarHBondContact CE1-O 3.35Å; Y79-C139 VanDerWaalsContact CE2-O 3.26Å; Y79-C139 WeakPolarHBondContact CE2-O 3.45Å; Y79-C139 HydrophobicContact CG-CB 3.6Å; Y79-C139 PolarHBondContact OH-O 3.35Å; Y79-D140 WeakPolarHBondContact OH-CA 3.42Å; Y79-D140 PolarHBondContact OH-OD1 3.48Å; Y79-P141 HydrophobicContact CE1-CG 4.43Å; Y79-P141 WeakPolarHBondContact OH-CD 3.17Å; Y79-H144 PolarHBondContact OH-ND1 3.37Å
80	N	66.4	Low	63.2	Low	76 Å²	76	59.3 Å²	59.3	41%	0.406	33%	0.327	S	S	.	.	H	α-helix	trans	-61.7	-40.5	179.8	-170.4	-14.1	0	0	0	111.6	C76 S77 G78 K84	C76-N80 WeakPolarHBondContact O-CB 3.36Å; C76-N80 PolarHBondContact O-N 3.3Å; S77-N80 PolarHBondContact O-N 3.22Å; G78-N80 PolarHBondContact O-N 2.84Å; N80-K84 WeakPolarHBondContact O-CB 3.37Å; N80-K84 VanDerWaalsContact O-CG 3.28Å; N80-K84 WeakPolarHBondContact O-CG 3.27Å; N80-K84 PolarHBondContact O-N 2.78Å; N80-K84 WeakPolarHBondContact OD1-CE 3.23Å; N80-K84 PolarHBondContact OD1-NZ 2.88Å
81	V	69.1	Low	64.5	Low	53 Å²	53	55.8 Å²	55.8	32%	0.321	30%	0.298	S	S	.	.	H	α-helix	trans	-63	-44.7	175.6	173.9	0	0	0	0	111.3	S77 G78 Y79 K84 F85 F389	S77-V81 WeakPolarHBondContact O-CG2 3.26Å; S77-V81 PolarHBondContact O-N 3.47Å; S77-V81 VanDerWaalsContact O-N 3.12Å; G78-V81 PolarHBondContact O-N 2.87Å; Y79-V81 VanDerWaalsContact C-N 3.31Å; Y79-V81 PolarHBondContact O-N 2.84Å; V81-K84 WeakPolarHBondContact O-CB 3.25Å; V81-K84 PolarHBondContact O-N 3.49Å; V81-F85 PolarHBondContact O-N 3.39Å; V81-F389 HydrophobicContact CG1-CB 4.19Å; V81-F389 WeakPolarHBondContact CG1-O 3.39Å
82	R	72.2	Confident	65.9	Low	1 Å²	1	56.9 Å²	56.9	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-63.6	-47.7	176.8	176.6	172.5	176.8	-160	-12	112.9	G78 Y79 K84 F85 C86 C127 M128 Q130 F389	G78-R82 PolarHBondContact O-N 3.23Å; Y79-R82 PolarHBondContact O-N 2.85Å; R82-K84 VanDerWaalsContact C-N 3.28Å; R82-K84 PolarHBondContact O-N 3.31Å; R82-F85 CarbonylContact O-C 3.29Å; R82-F85 WeakPolarHBondContact O-CA 3.44Å; R82-F85 WeakPolarHBondContact O-CB 3.39Å; R82-F85 PolarHBondContact O-N 3.09Å; R82-C86 PolarHBondContact O-N 3.28Å; R82-C127 PolarHBondContact NE-O 2.91Å; R82-C127 PolarHBondContact NH2-O 3.46Å; R82-M128 PolarHBondContact NH2-O 2.9Å; R82-Q130 PolarHBondContact NH1-O 3.05Å; R82-Q130 VanDerWaalsContact NH2-CA 3.29Å; R82-Q130 PolarHBondContact NH2-O 3.29Å; R82-F389 HydrophobicContact CB-CB 3.97Å; R82-F389 HydrophobicContact CB-CD1 4.02Å; R82-F389 HydrophobicContact CB-CD2 4.02Å; R82-F389 HydrophobicContact CB-CG 3.72Å; R82-F389 HydrophobicContact CG-CD1 3.73Å; R82-F389 HydrophobicContact CG-CD2 3.98Å; R82-F389 HydrophobicContact CG-CE1 3.77Å; R82-F389 HydrophobicContact CG-CE2 4.02Å; R82-F389 HydrophobicContact CG-CG 3.83Å; R82-F389 HydrophobicContact CG-CZ 3.91Å
83	F	72.8	Confident	66.6	Low	22 Å²	22	56.8 Å²	56.8	10%	0.096	29%	0.291	C	S	.	.	H	α-helix	trans	-53.8	-50.1	174.8	168.3	-107.8	0	0	0	110.1	Y79 F85 C86 F87 Y124 M128 P141 H144 V205	Y79-F83 PolarHBondContact O-N 3.26Å; F83-F85 VanDerWaalsContact C-N 3.29Å; F83-F85 PolarHBondContact O-N 2.96Å; F83-C86 PolarHBondContact O-N 3.4Å; F83-F87 HydrophobicContact CE2-CD2 4.18Å; F83-F87 HydrophobicContact CZ-CD2 4.19Å; F83-F87 WeakPolarHBondContact O-CB 3.32Å; F83-F87 PolarHBondContact O-N 2.65Å; F83-Y124 HydrophobicContact CD2-CE2 4.49Å; F83-Y124 WeakPolarHBondContact CD2-OH 3.29Å; F83-Y124 VanDerWaalsContact CE2-OH 3.23Å; F83-Y124 WeakPolarHBondContact CE2-OH 3.38Å; F83-M128 HydrophobicContact CB-CE 4.4Å; F83-M128 HydrophobicContact CD2-CE 4.27Å; F83-M128 HydrophobicContact CD2-SD 4.39Å; F83-P141 HydrophobicContact CB-CG 4.41Å; F83-P141 HydrophobicContact CD1-CB 3.83Å; F83-P141 HydrophobicContact CD1-CG 3.81Å; F83-P141 HydrophobicContact CD2-CB 4.31Å; F83-P141 HydrophobicContact CD2-CG 3.39Å; F83-P141 HydrophobicContact CE1-CB 3.68Å; F83-P141 HydrophobicContact CE1-CG 3.79Å; F83-P141 HydrophobicContact CE2-CB 4.13Å; F83-P141 HydrophobicContact CE2-CG 3.33Å; F83-P141 HydrophobicContact CG-CB 4.12Å; F83-P141 HydrophobicContact CG-CG 3.59Å; F83-P141 HydrophobicContact CZ-CB 3.82Å; F83-P141 HydrophobicContact CZ-CG 3.54Å; F83-H144 HydrophobicContact CE2-CB 4.38Å; F83-V205 HydrophobicContact CE2-CG1 4.37Å; F83-V205 HydrophobicContact CZ-CG1 4.1Å
84	K	71.4	Confident	67.4	Low	127 Å²	127	49.3 Å²	49.3	55%	0.552	25%	0.251	S	S	*	.	H	α-helix	trans	-56.6	-41.1	175.6	-75.7	171.2	175.9	168.5	0	112.5	N80 V81 R82 R88	N80-K84 WeakPolarHBondContact O-CB 3.37Å; N80-K84 VanDerWaalsContact O-CG 3.28Å; N80-K84 WeakPolarHBondContact O-CG 3.27Å; N80-K84 PolarHBondContact O-N 2.78Å; N80-K84 WeakPolarHBondContact OD1-CE 3.23Å; N80-K84 PolarHBondContact OD1-NZ 2.88Å; V81-K84 WeakPolarHBondContact O-CB 3.25Å; V81-K84 PolarHBondContact O-N 3.49Å; R82-K84 VanDerWaalsContact C-N 3.28Å; R82-K84 PolarHBondContact O-N 3.31Å; K84-R88 WeakPolarHBondContact O-CB 3.04Å; K84-R88 PolarHBondContact O-N 3.2Å
85	F	74	Confident	67.5	Low	13 Å²	13	49.1 Å²	49.1	6%	0.057	26%	0.256	C	S	.	.	H	α-helix	trans	-65.7	-60.3	176.5	174.7	-94.5	0	0	0	112.1	V81 R82 F83 F87 R88 T89 F389	V81-F85 PolarHBondContact O-N 3.39Å; R82-F85 CarbonylContact O-C 3.29Å; R82-F85 WeakPolarHBondContact O-CA 3.44Å; R82-F85 WeakPolarHBondContact O-CB 3.39Å; R82-F85 PolarHBondContact O-N 3.09Å; F83-F85 VanDerWaalsContact C-N 3.29Å; F83-F85 PolarHBondContact O-N 2.96Å; F85-F87 PolarHBondContact O-N 3.28Å; F85-R88 PolarHBondContact O-N 3.05Å; F85-R88 VanDerWaalsContact O-N 3.13Å; F85-T89 HydrophobicContact CE1-CG2 4.46Å; F85-T89 WeakPolarHBondContact CE2-OG1 3.21Å; F85-T89 HydrophobicContact CZ-CG2 4.28Å; F85-T89 WeakPolarHBondContact O-CB 3.04Å; F85-T89 PolarHBondContact O-N 3.38Å; F85-T89 PolarHBondContact O-OG1 2.96Å; F85-F389 HydrophobicContact CB-CD1 4.22Å; F85-F389 AromaticContact CD1-CD1 3.63Å; F85-F389 HydrophobicContact CD1-CD1 3.63Å; F85-F389 AromaticContact CD1-CE1 3.8Å; F85-F389 HydrophobicContact CD1-CE1 3.8Å; F85-F389 HydrophobicContact CE1-CD1 4.27Å; F85-F389 HydrophobicContact CE1-CE1 4.17Å; F85-F389 HydrophobicContact CG-CD1 4.06Å
86	C	74.2	Confident	67.3	Low	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-54.9	-42.9	-178.9	-70.5	0	0	0	0	110.8	R82 F83 T89 H90 Y124 C127 M128	R82-C86 PolarHBondContact O-N 3.28Å; F83-C86 PolarHBondContact O-N 3.4Å; C86-T89 PolarHBondContact O-N 3.22Å; C86-H90 WeakPolarHBondContact O-CB 3.29Å; C86-H90 PolarHBondContact O-N 3.39Å; C86-Y124 HydrophobicContact CB-CD2 3.99Å; C86-Y124 HydrophobicContact CB-CE2 4.12Å; C86-C127 WeakPolarHBondContact CA-SG 3.47Å; C86-C127 HydrophobicContact CB-CB 3.74Å; C86-C127 WeakPolarHBondContact CB-SG 3.5Å; C86-C127 WeakPolarHBondContact SG-CB 3.37Å; C86-C127 PolarHBondContact SG-O 3.47Å; C86-C127 VanDerWaalsContact SG-O 3.4Å; C86-C127 CovalentContact SG-SG 2.04Å; C86-C127 PolarHBondContact SG-SG 3.37Å; C86-M128 HydrophobicContact CB-CG 4.36Å; C86-M128 HydrophobicContact CB-SD 3.98Å
87	F	72.9	Confident	66.7	Low	13 Å²	13	43.9 Å²	43.9	6%	0.057	24%	0.237	C	C	.	.	I	π-helix	trans	-62.6	-52.6	177.1	-167.5	-91.4	0	0	0	112	F83 F85 T89 F91 Y92 Y124 V205 H206	F83-F87 HydrophobicContact CE2-CD2 4.18Å; F83-F87 HydrophobicContact CZ-CD2 4.19Å; F83-F87 WeakPolarHBondContact O-CB 3.32Å; F83-F87 PolarHBondContact O-N 2.65Å; F85-F87 PolarHBondContact O-N 3.28Å; F87-T89 VanDerWaalsContact C-N 3.28Å; F87-T89 PolarHBondContact O-N 3.27Å; F87-F91 HydrophobicContact CD2-CB 3.91Å; F87-F91 AromaticContact CD2-CD1 3.97Å; F87-F91 HydrophobicContact CD2-CD1 3.97Å; F87-F91 HydrophobicContact CD2-CG 4.16Å; F87-F91 HydrophobicContact CE1-CD1 4.36Å; F87-F91 HydrophobicContact CE2-CB 4.08Å; F87-F91 AromaticContact CE2-CD1 3.26Å; F87-F91 HydrophobicContact CE2-CD1 3.26Å; F87-F91 AromaticContact CE2-CE1 3.95Å; F87-F91 HydrophobicContact CE2-CE1 3.95Å; F87-F91 AromaticContact CE2-CG 3.89Å; F87-F91 HydrophobicContact CE2-CG 3.89Å; F87-F91 HydrophobicContact CG-CB 4.3Å; F87-F91 AromaticContact CZ-CD1 3.54Å; F87-F91 HydrophobicContact CZ-CD1 3.54Å; F87-F91 HydrophobicContact CZ-CE1 4.18Å; F87-F91 HydrophobicContact CZ-CG 4.46Å; F87-F91 CarbonylContact O-C 3.56Å; F87-F91 WeakPolarHBondContact O-CA 3.41Å; F87-F91 VanDerWaalsContact O-CB 3.32Å; F87-F91 WeakPolarHBondContact O-CB 2.99Å; F87-F91 PolarHBondContact O-N 3.28Å; F87-Y92 PolarHBondContact O-N 3.37Å; F87-Y124 HydrophobicContact CB-CE2 4.24Å; F87-Y124 HydrophobicContact CD2-CE2 4.14Å; F87-V205 HydrophobicContact CD2-CG1 4.03Å; F87-V205 HydrophobicContact CE2-CB 3.77Å; F87-V205 HydrophobicContact CE2-CG1 3.36Å; F87-V205 VanDerWaalsContact CZ-C 3.42Å; F87-V205 HydrophobicContact CZ-CB 4.12Å; F87-V205 HydrophobicContact CZ-CG1 4.12Å; F87-V205 VanDerWaalsContact CZ-O 3.28Å; F87-V205 WeakPolarHBondContact CZ-O 3.36Å; F87-H206 VanDerWaalsContact CE1-CA 3.47Å; F87-H206 HydrophobicContact CE1-CB 3.96Å; F87-H206 AromaticContact CE1-CD2 3.87Å; F87-H206 AromaticContact CE1-CE1 3.67Å; F87-H206 AromaticContact CE1-CG 3.46Å; F87-H206 VanDerWaalsContact CE1-CG 3.46Å; F87-H206 AromaticContact CE1-ND1 3.41Å; F87-H206 WeakPolarHBondContact CE1-ND1 3.15Å; F87-H206 AromaticContact CE1-NE2 3.98Å; F87-H206 HydrophobicContact CZ-CB 3.95Å; F87-H206 AromaticContact CZ-CE1 3.57Å; F87-H206 AromaticContact CZ-CG 3.5Å; F87-H206 AromaticContact CZ-ND1 3.05Å; F87-H206 WeakPolarHBondContact CZ-ND1 3.43Å
88	R	70.3	Confident	66.1	Low	163 Å²	163	46.2 Å²	46.2	62%	0.615	24%	0.241	S	C	*	.	I	π-helix	trans	-63	-33.3	178.9	-176.7	177.9	176.1	168	2.8	113.3	K84 F85 Y92 P93	K84-R88 WeakPolarHBondContact O-CB 3.04Å; K84-R88 PolarHBondContact O-N 3.2Å; F85-R88 PolarHBondContact O-N 3.05Å; F85-R88 VanDerWaalsContact O-N 3.13Å; R88-Y92 WeakPolarHBondContact O-CB 3.44Å; R88-P93 WeakPolarHBondContact O-CD 3.12Å
89	T	69.8	Low	65.7	Low	7 Å²	7	45.9 Å²	45.9	4%	0.043	23%	0.234	C	C	.	.	I	π-helix	trans	-82.1	-46.9	-173.1	-67.2	0	0	0	0	111.9	F85 C86 F87 P93 S413 P414	F85-T89 HydrophobicContact CE1-CG2 4.46Å; F85-T89 WeakPolarHBondContact CE2-OG1 3.21Å; F85-T89 HydrophobicContact CZ-CG2 4.28Å; F85-T89 WeakPolarHBondContact O-CB 3.04Å; F85-T89 PolarHBondContact O-N 3.38Å; F85-T89 PolarHBondContact O-OG1 2.96Å; C86-T89 PolarHBondContact O-N 3.22Å; F87-T89 VanDerWaalsContact C-N 3.28Å; F87-T89 PolarHBondContact O-N 3.27Å; T89-P93 WeakPolarHBondContact O-CG 3.02Å; T89-S413 VanDerWaalsContact CG2-O 3.3Å; T89-S413 WeakPolarHBondContact CG2-O 3.26Å; T89-P414 WeakPolarHBondContact O-CA 3.1Å; T89-P414 WeakPolarHBondContact O-CB 3.2Å
90	H	73.3	Confident	65.1	Low	7 Å²	7	48.2 Å²	48.2	3%	0.032	25%	0.249	C	C	.	.	I	π-helix	trans	-105.5	-37.6	-172.4	-62.4	-61.3	0	0	0	112.3	C86 L120 D123	C86-H90 WeakPolarHBondContact O-CB 3.29Å; C86-H90 PolarHBondContact O-N 3.39Å; H90-L120 WeakPolarHBondContact O-CB 3.47Å; H90-L120 WeakPolarHBondContact O-CD2 3.46Å; H90-D123 HydrophobicContact CB-CB 4.29Å
91	F	67.4	Low	64.6	Low	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	I	π-helix	trans	-96	-39	-170.9	-157.5	-95.4	0	0	0	113.9	F87 P93 V94 F121 Y124 L162 V202 H206	F87-F91 HydrophobicContact CD2-CB 3.91Å; F87-F91 AromaticContact CD2-CD1 3.97Å; F87-F91 HydrophobicContact CD2-CD1 3.97Å; F87-F91 HydrophobicContact CD2-CG 4.16Å; F87-F91 HydrophobicContact CE1-CD1 4.36Å; F87-F91 HydrophobicContact CE2-CB 4.08Å; F87-F91 AromaticContact CE2-CD1 3.26Å; F87-F91 HydrophobicContact CE2-CD1 3.26Å; F87-F91 AromaticContact CE2-CE1 3.95Å; F87-F91 HydrophobicContact CE2-CE1 3.95Å; F87-F91 AromaticContact CE2-CG 3.89Å; F87-F91 HydrophobicContact CE2-CG 3.89Å; F87-F91 HydrophobicContact CG-CB 4.3Å; F87-F91 AromaticContact CZ-CD1 3.54Å; F87-F91 HydrophobicContact CZ-CD1 3.54Å; F87-F91 HydrophobicContact CZ-CE1 4.18Å; F87-F91 HydrophobicContact CZ-CG 4.46Å; F87-F91 CarbonylContact O-C 3.56Å; F87-F91 WeakPolarHBondContact O-CA 3.41Å; F87-F91 VanDerWaalsContact O-CB 3.32Å; F87-F91 WeakPolarHBondContact O-CB 2.99Å; F87-F91 PolarHBondContact O-N 3.28Å; F91-P93 VanDerWaalsContact C-CD 3.49Å; F91-V94 WeakPolarHBondContact O-CB 3.12Å; F91-V94 WeakPolarHBondContact O-CG2 3.4Å; F91-V94 PolarHBondContact O-N 3.12Å; F91-V94 VanDerWaalsContact O-N 3.15Å; F91-F121 HydrophobicContact CD2-CD2 4.49Å; F91-F121 HydrophobicContact CE2-CB 4.43Å; F91-F121 HydrophobicContact CE2-CD2 4Å; F91-Y124 HydrophobicContact CB-CD2 4.23Å; F91-Y124 HydrophobicContact CB-CG 4.43Å; F91-Y124 HydrophobicContact CD2-CG 4.46Å; F91-L162 HydrophobicContact CE2-CD1 3.52Å; F91-L162 HydrophobicContact CZ-CD1 3.42Å; F91-L162 VanDerWaalsContact CZ-CD1 3.42Å; F91-V202 HydrophobicContact CE1-CG1 3.5Å; F91-V202 HydrophobicContact CZ-CG1 3.38Å; F91-H206 AromaticContact CD1-CE1 3.79Å
92	Y	65.3	Low	64.2	Low	142 Å²	142	50.1 Å²	50.1	56%	0.557	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-36.2	179.4	-174.7	-90.6	0	0	0	114.8	F87 R88 V94 H206	F87-Y92 PolarHBondContact O-N 3.37Å; R88-Y92 WeakPolarHBondContact O-CB 3.44Å; Y92-V94 PolarHBondContact O-N 3.36Å; Y92-H206 AromaticContact CD2-CD2 3.48Å; Y92-H206 VanDerWaalsContact CD2-CD2 3.48Å; Y92-H206 WeakPolarHBondContact CD2-CD2 3.24Å; Y92-H206 AromaticContact CD2-NE2 3.37Å; Y92-H206 WeakPolarHBondContact CD2-NE2 3.13Å; Y92-H206 AromaticContact CE2-CD2 3.87Å; Y92-H206 AromaticContact CG-NE2 3.99Å
93	P	62.1	Low	63.7	Low	64 Å²	64	53.3 Å²	53.3	42%	0.416	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-13.6	175.6	-19.8	34.1	0	0	0	113.4	R88 T89 F91 S95 P414	R88-P93 WeakPolarHBondContact O-CD 3.12Å; T89-P93 WeakPolarHBondContact O-CG 3.02Å; F91-P93 VanDerWaalsContact C-CD 3.49Å; P93-S95 VanDerWaalsContact C-N 3.31Å; P93-S95 PolarHBondContact O-N 2.82Å; P93-P414 HydrophobicContact CG-CB 4.36Å
94	V	62.5	Low	62.8	Low	10 Å²	10	53.8 Å²	53.8	6%	0.061	28%	0.275	C	S	.	.	S	Bend	trans	-61.5	99.5	167.4	-171.2	0	0	0	0	106.2	F91 Y92 L96 V117 L120	F91-V94 WeakPolarHBondContact O-CB 3.12Å; F91-V94 WeakPolarHBondContact O-CG2 3.4Å; F91-V94 PolarHBondContact O-N 3.12Å; F91-V94 VanDerWaalsContact O-N 3.15Å; Y92-V94 PolarHBondContact O-N 3.36Å; V94-L96 HydrophobicContact CB-CG 4.3Å; V94-L96 HydrophobicContact CG1-CD1 4.48Å; V94-L96 HydrophobicContact CG1-CD2 3.51Å; V94-L96 HydrophobicContact CG1-CG 3.74Å; V94-L96 PolarHBondContact O-N 2.8Å; V94-V117 HydrophobicContact CG1-CB 4.11Å; V94-V117 HydrophobicContact CG1-CG1 4.16Å; V94-V117 HydrophobicContact CG1-CG2 3.41Å; V94-V117 VanDerWaalsContact CG1-CG2 3.41Å; V94-L120 HydrophobicContact CB-CD1 4.31Å; V94-L120 HydrophobicContact CG2-CB 3.64Å; V94-L120 HydrophobicContact CG2-CD1 3.43Å; V94-L120 VanDerWaalsContact CG2-CD1 3.43Å; V94-L120 HydrophobicContact CG2-CG 4.16Å
95	S	55.9	Low	62.2	Low	65 Å²	65	49.1 Å²	49.1	46%	0.455	26%	0.256	S	S	.	.			trans	-71.2	74.5	178.7	-167.9	0	0	0	0	110.1	P93 G97	P93-S95 VanDerWaalsContact C-N 3.31Å; P93-S95 PolarHBondContact O-N 2.82Å; S95-G97 PolarHBondContact O-N 3.1Å
96	L	52.9	Low	61.7	Low	11 Å²	11	53.6 Å²	53.6	6%	0.058	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-72.7	-18.6	170.2	-56	172.8	0	0	0	111	V94 Q98 F99 V117 V202	V94-L96 HydrophobicContact CB-CG 4.3Å; V94-L96 HydrophobicContact CG1-CD1 4.48Å; V94-L96 HydrophobicContact CG1-CD2 3.51Å; V94-L96 HydrophobicContact CG1-CG 3.74Å; V94-L96 PolarHBondContact O-N 2.8Å; L96-Q98 PolarHBondContact O-N 2.88Å; L96-F99 HydrophobicContact CB-CD2 4.05Å; L96-F99 HydrophobicContact CD2-CD2 3.65Å; L96-F99 HydrophobicContact CD2-CE2 3.4Å; L96-F99 HydrophobicContact CG-CD2 4.46Å; L96-F99 VanDerWaalsContact O-CB 3.29Å; L96-F99 WeakPolarHBondContact O-CB 2.79Å; L96-F99 PolarHBondContact O-N 2.85Å; L96-V117 HydrophobicContact CD2-CG2 4.33Å; L96-V202 HydrophobicContact CD1-CB 3.57Å; L96-V202 HydrophobicContact CD1-CG1 3.03Å; L96-V202 HydrophobicContact CD1-CG2 4.48Å; L96-V202 HydrophobicContact CG-CG1 4.41Å
97	G	49.4	Very low	60.7	Low	54 Å²	54	60.8 Å²	60.8	56%	0.557	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-59.9	-28	176.5	0	0	0	0	0	113.4	S95 F99	S95-G97 PolarHBondContact O-N 3.1Å; G97-F99 VanDerWaalsContact C-N 3.27Å; G97-F99 PolarHBondContact O-N 2.7Å
98	Q	54.1	Low	59.8	Low	112 Å²	112	63.6 Å²	63.6	52%	0.523	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-77.7	-9.9	173.8	-70.8	-173.5	-5.5	0	0	113.7	L96 T100 N103	L96-Q98 PolarHBondContact O-N 2.88Å; Q98-T100 VanDerWaalsContact C-N 3.33Å; Q98-T100 PolarHBondContact O-N 3.07Å; Q98-N103 PolarHBondContact O-ND2 3.1Å
99	F	55.4	Low	58.9	Low	15 Å²	15	58.2 Å²	58.2	7%	0.066	31%	0.309	C	S	.	.			trans	-76.5	92.9	168.1	-61	-48.1	0	0	0	108.1	L96 G97 W109 K113 L199	L96-F99 HydrophobicContact CB-CD2 4.05Å; L96-F99 HydrophobicContact CD2-CD2 3.65Å; L96-F99 HydrophobicContact CD2-CE2 3.4Å; L96-F99 HydrophobicContact CG-CD2 4.46Å; L96-F99 VanDerWaalsContact O-CB 3.29Å; L96-F99 WeakPolarHBondContact O-CB 2.79Å; L96-F99 PolarHBondContact O-N 2.85Å; G97-F99 VanDerWaalsContact C-N 3.27Å; G97-F99 PolarHBondContact O-N 2.7Å; F99-W109 HydrophobicContact CB-CZ3 4.3Å; F99-W109 AromaticContact CD1-CE3 3.73Å; F99-W109 HydrophobicContact CD1-CE3 3.73Å; F99-W109 AromaticContact CD1-CH2 3.57Å; F99-W109 HydrophobicContact CD1-CH2 3.57Å; F99-W109 AromaticContact CD1-CZ3 3.01Å; F99-W109 HydrophobicContact CD1-CZ3 3.01Å; F99-W109 HydrophobicContact CD2-CH2 4.05Å; F99-W109 HydrophobicContact CD2-CZ3 4.21Å; F99-W109 HydrophobicContact CE1-CD2 4.39Å; F99-W109 AromaticContact CE1-CE3 3.67Å; F99-W109 HydrophobicContact CE1-CE3 3.67Å; F99-W109 AromaticContact CE1-CH2 3.28Å; F99-W109 HydrophobicContact CE1-CH2 3.28Å; F99-W109 AromaticContact CE1-CZ2 4Å; F99-W109 HydrophobicContact CE1-CZ2 4Å; F99-W109 AromaticContact CE1-CZ3 3.1Å; F99-W109 HydrophobicContact CE1-CZ3 3.1Å; F99-W109 AromaticContact CE2-CH2 3.78Å; F99-W109 HydrophobicContact CE2-CH2 3.78Å; F99-W109 HydrophobicContact CE2-CZ3 4.26Å; F99-W109 AromaticContact CG-CH2 3.95Å; F99-W109 HydrophobicContact CG-CH2 3.95Å; F99-W109 AromaticContact CG-CZ3 3.62Å; F99-W109 HydrophobicContact CG-CZ3 3.62Å; F99-W109 AromaticContact CZ-CH2 3.41Å; F99-W109 HydrophobicContact CZ-CH2 3.41Å; F99-W109 VanDerWaalsContact CZ-CH2 3.41Å; F99-W109 AromaticContact CZ-CZ2 3.98Å; F99-W109 HydrophobicContact CZ-CZ2 3.98Å; F99-W109 AromaticContact CZ-CZ3 3.77Å; F99-W109 HydrophobicContact CZ-CZ3 3.77Å; F99-K113 HydrophobicContact CE1-CD 4.24Å; F99-K113 HydrophobicContact CZ-CB 4.32Å; F99-K113 HydrophobicContact CZ-CD 4.41Å; F99-L199 HydrophobicContact CB-CD1 3.83Å; F99-L199 HydrophobicContact CB-CD2 3.43Å; F99-L199 VanDerWaalsContact CB-CD2 3.43Å; F99-L199 HydrophobicContact CB-CG 4.28Å; F99-L199 HydrophobicContact CD2-CD2 3.81Å; F99-L199 HydrophobicContact CG-CD2 3.96Å; F99-L199 VanDerWaalsContact O-CD1 3.23Å; F99-L199 WeakPolarHBondContact O-CD1 3.01Å
100	T	55.7	Low	58.1	Low	58 Å²	58	63.3 Å²	63.3	36%	0.356	33%	0.333	S	S	.	.			trans	-84.5	149.9	159.8	60	0	0	0	0	107.9	Q98 E102 N103 L104	Q98-T100 VanDerWaalsContact C-N 3.33Å; Q98-T100 PolarHBondContact O-N 3.07Å; T100-E102 PolarHBondContact O-N 3.15Å; T100-N103 PolarHBondContact O-N 2.95Å; T100-N103 WeakPolarHBondContact OG1-CB 3.05Å; T100-N103 PolarHBondContact OG1-N 3.48Å; T100-N103 PolarHBondContact OG1-ND2 3.14Å; T100-L104 PolarHBondContact O-N 2.77Å
101	V	56.5	Low	57.1	Low	33 Å²	33	65.1 Å²	65.1	20%	0.2	34%	0.339	C	S	.	.	H	α-helix	trans	-49.5	-41.3	168.6	174.7	0	0	0	0	109.6	N103 L104 L105 S192 V195	V101-N103 PolarHBondContact O-N 3.04Å; V101-L104 PolarHBondContact O-N 3.19Å; V101-L105 HydrophobicContact CG1-CD1 3.73Å; V101-L105 HydrophobicContact CG1-CG 4.2Å; V101-L105 VanDerWaalsContact O-CG 3.29Å; V101-L105 WeakPolarHBondContact O-CG 3.23Å; V101-L105 PolarHBondContact O-N 2.92Å; V101-S192 WeakPolarHBondContact CG2-O 3.25Å; V101-V195 HydrophobicContact CB-CG1 4.36Å; V101-V195 HydrophobicContact CG1-CB 4.31Å; V101-V195 HydrophobicContact CG1-CG1 4.47Å; V101-V195 HydrophobicContact CG2-CB 4.12Å; V101-V195 HydrophobicContact CG2-CG1 4Å
102	E	59.5	Low	56.3	Low	136 Å²	136	69.7 Å²	69.7	64%	0.636	37%	0.369	S	S	*	.	H	α-helix	trans	-59.1	-44.1	177.8	-63.2	178.8	176.6	0	0	113	T100 L104 L105 N106	T100-E102 PolarHBondContact O-N 3.15Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 3.19Å; E102-L105 PolarHBondContact O-N 3.48Å; E102-N106 WeakPolarHBondContact O-CB 3.42Å; E102-N106 PolarHBondContact O-N 2.8Å
103	N	62.3	Low	56.2	Low	68 Å²	68	66.2 Å²	66.2	36%	0.364	36%	0.357	S	S	.	.	H	α-helix	trans	-67	-33.7	178.6	-75.8	-13.1	0	0	0	112.9	Q98 T100 V101 T108	Q98-N103 PolarHBondContact O-ND2 3.1Å; T100-N103 PolarHBondContact O-N 2.95Å; T100-N103 WeakPolarHBondContact OG1-CB 3.05Å; T100-N103 PolarHBondContact OG1-N 3.48Å; T100-N103 PolarHBondContact OG1-ND2 3.14Å; V101-N103 PolarHBondContact O-N 3.04Å; N103-T108 PolarHBondContact O-OG1 2.73Å
104	L	54.7	Low	56.3	Low	32 Å²	32	64 Å²	64	17%	0.168	34%	0.341	C	S	.	.	H	α-helix	trans	-69.9	-42.6	174.2	-174	77.2	0	0	0	110.7	T100 V101 E102 W109 L185 V195	T100-L104 PolarHBondContact O-N 2.77Å; V101-L104 PolarHBondContact O-N 3.19Å; E102-L104 VanDerWaalsContact C-N 3.34Å; E102-L104 PolarHBondContact O-N 3.19Å; L104-W109 HydrophobicContact CB-CE3 4.24Å; L104-W109 HydrophobicContact CD1-CB 4.32Å; L104-W109 HydrophobicContact CD1-CD2 3.47Å; L104-W109 VanDerWaalsContact CD1-CD2 3.47Å; L104-W109 HydrophobicContact CD1-CE3 3.13Å; L104-W109 HydrophobicContact CD1-CG 3.99Å; L104-W109 HydrophobicContact CD1-CH2 4.17Å; L104-W109 HydrophobicContact CD1-CZ2 4.48Å; L104-W109 HydrophobicContact CD1-CZ3 3.48Å; L104-W109 VanDerWaalsContact CD1-CZ3 3.48Å; L104-W109 HydrophobicContact CG-CE3 4.27Å; L104-L185 HydrophobicContact CD2-CD1 3.73Å; L104-L185 HydrophobicContact CG-CD1 4.32Å; L104-V195 HydrophobicContact CB-CG1 4.28Å; L104-V195 HydrophobicContact CD2-CB 4.03Å; L104-V195 HydrophobicContact CD2-CG1 3.32Å; L104-V195 HydrophobicContact CD2-CG2 3.47Å; L104-V195 VanDerWaalsContact CD2-CG2 3.47Å; L104-V195 HydrophobicContact CG-CG1 4.42Å
105	L	57.6	Low	56.6	Low	29 Å²	29	66.8 Å²	66.8	15%	0.152	37%	0.365	C	S	.	.	H	α-helix	trans	-71.1	-41.5	179.8	-66.1	177.7	0	0	0	111.6	V101 E102 K107 L185 R186	V101-L105 HydrophobicContact CG1-CD1 3.73Å; V101-L105 HydrophobicContact CG1-CG 4.2Å; V101-L105 VanDerWaalsContact O-CG 3.29Å; V101-L105 WeakPolarHBondContact O-CG 3.23Å; V101-L105 PolarHBondContact O-N 2.92Å; E102-L105 PolarHBondContact O-N 3.48Å; L105-K107 PolarHBondContact O-N 3.42Å; L105-L185 HydrophobicContact CD2-CB 3.56Å; L105-R186 HydrophobicContact CB-CG 4.4Å; L105-R186 HydrophobicContact CD2-CG 4.07Å; L105-R186 PolarHBondContact O-NH1 3.38Å
106	N	63	Low	57.2	Low	106 Å²	106	68.8 Å²	68.8	57%	0.567	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	24.1	-171.9	-78.5	-14.5	0	0	0	116.1	E102 T108	E102-N106 WeakPolarHBondContact O-CB 3.42Å; E102-N106 PolarHBondContact O-N 2.8Å; N106-T108 PolarHBondContact O-N 2.89Å
107	K	54.5	Low	58.1	Low	151 Å²	151	68.8 Å²	68.8	66%	0.657	37%	0.368	S	S	*	.	S	Bend	trans	63.2	-3.3	-178.6	-53.1	-179.7	178	-179.6	0	114.9	L105 W109	L105-K107 PolarHBondContact O-N 3.42Å; K107-W109 PolarHBondContact O-N 3.35Å; K107-W109 VanDerWaalsContact O-N 3.14Å
108	T	53.4	Low	59.2	Low	72 Å²	72	66.9 Å²	66.9	44%	0.442	35%	0.346	S	S	.	.			trans	-78.4	15.1	179.5	46.1	0	0	0	0	113.9	N103 N106 H110	N103-T108 PolarHBondContact O-OG1 2.73Å; N106-T108 PolarHBondContact O-N 2.89Å; T108-H110 PolarHBondContact O-CD2 3.39Å; T108-H110 PolarHBondContact O-N 3.37Å; T108-H110 VanDerWaalsContact O-N 3.1Å
109	W	52.3	Low	60.3	Low	51 Å²	51	67.5 Å²	67.5	19%	0.193	34%	0.343	C	S	.	.			trans	-70.9	108.7	178.4	-175.2	-97.7	0	0	0	111.1	F99 L104 K107 W111	F99-W109 HydrophobicContact CB-CZ3 4.3Å; F99-W109 AromaticContact CD1-CE3 3.73Å; F99-W109 HydrophobicContact CD1-CE3 3.73Å; F99-W109 AromaticContact CD1-CH2 3.57Å; F99-W109 HydrophobicContact CD1-CH2 3.57Å; F99-W109 AromaticContact CD1-CZ3 3.01Å; F99-W109 HydrophobicContact CD1-CZ3 3.01Å; F99-W109 HydrophobicContact CD2-CH2 4.05Å; F99-W109 HydrophobicContact CD2-CZ3 4.21Å; F99-W109 HydrophobicContact CE1-CD2 4.39Å; F99-W109 AromaticContact CE1-CE3 3.67Å; F99-W109 HydrophobicContact CE1-CE3 3.67Å; F99-W109 AromaticContact CE1-CH2 3.28Å; F99-W109 HydrophobicContact CE1-CH2 3.28Å; F99-W109 AromaticContact CE1-CZ2 4Å; F99-W109 HydrophobicContact CE1-CZ2 4Å; F99-W109 AromaticContact CE1-CZ3 3.1Å; F99-W109 HydrophobicContact CE1-CZ3 3.1Å; F99-W109 AromaticContact CE2-CH2 3.78Å; F99-W109 HydrophobicContact CE2-CH2 3.78Å; F99-W109 HydrophobicContact CE2-CZ3 4.26Å; F99-W109 AromaticContact CG-CH2 3.95Å; F99-W109 HydrophobicContact CG-CH2 3.95Å; F99-W109 AromaticContact CG-CZ3 3.62Å; F99-W109 HydrophobicContact CG-CZ3 3.62Å; F99-W109 AromaticContact CZ-CH2 3.41Å; F99-W109 HydrophobicContact CZ-CH2 3.41Å; F99-W109 VanDerWaalsContact CZ-CH2 3.41Å; F99-W109 AromaticContact CZ-CZ2 3.98Å; F99-W109 HydrophobicContact CZ-CZ2 3.98Å; F99-W109 AromaticContact CZ-CZ3 3.77Å; F99-W109 HydrophobicContact CZ-CZ3 3.77Å; L104-W109 HydrophobicContact CB-CE3 4.24Å; L104-W109 HydrophobicContact CD1-CB 4.32Å; L104-W109 HydrophobicContact CD1-CD2 3.47Å; L104-W109 VanDerWaalsContact CD1-CD2 3.47Å; L104-W109 HydrophobicContact CD1-CE3 3.13Å; L104-W109 HydrophobicContact CD1-CG 3.99Å; L104-W109 HydrophobicContact CD1-CH2 4.17Å; L104-W109 HydrophobicContact CD1-CZ2 4.48Å; L104-W109 HydrophobicContact CD1-CZ3 3.48Å; L104-W109 VanDerWaalsContact CD1-CZ3 3.48Å; L104-W109 HydrophobicContact CG-CE3 4.27Å; K107-W109 PolarHBondContact O-N 3.35Å; K107-W109 VanDerWaalsContact O-N 3.14Å; W109-W111 AromaticContact CD1-CD2 3.52Å; W109-W111 AromaticContact CD1-CE2 3.44Å; W109-W111 VanDerWaalsContact CD1-CE2 3.44Å; W109-W111 AromaticContact CD1-CE3 3.9Å; W109-W111 AromaticContact CD1-CG 3.94Å; W109-W111 AromaticContact CD1-CH2 3.98Å; W109-W111 AromaticContact CD1-CZ2 3.69Å; W109-W111 AromaticContact CD1-NE1 3.85Å; W109-W111 AromaticContact NE1-CD2 3.55Å; W109-W111 AromaticContact NE1-CE2 3.81Å; W109-W111 AromaticContact NE1-CE3 3.4Å; W109-W111 AromaticContact NE1-CH2 3.68Å; W109-W111 AromaticContact NE1-CZ2 3.88Å; W109-W111 AromaticContact NE1-CZ3 3.47Å; W109-W111 PolarHBondContact O-N 3.07Å
110	H	53.1	Low	61.2	Low	114 Å²	114	67.5 Å²	67.5	53%	0.528	34%	0.344	S	S	.	.			trans	-84.4	94.8	176.5	-66.2	-76.6	0	0	0	110.3	T108 P112 K113	T108-H110 PolarHBondContact O-CD2 3.39Å; T108-H110 PolarHBondContact O-N 3.37Å; T108-H110 VanDerWaalsContact O-N 3.1Å; H110-P112 VanDerWaalsContact O-N 3.15Å; H110-K113 HydrophobicContact CB-CD 4.39Å; H110-K113 HydrophobicContact CB-CG 4.1Å; H110-K113 VanDerWaalsContact O-CB 3.27Å; H110-K113 WeakPolarHBondContact O-CB 3.27Å; H110-K113 PolarHBondContact O-N 3.03Å
111	W	50.9	Low	62	Low	44 Å²	44	64.7 Å²	64.7	17%	0.167	33%	0.327	C	S	.	.	H	α-helix	trans	-50.3	-28.6	168.3	-64.9	107	0	0	0	115.3	W109 K113 L114 A115 L174 H175	W109-W111 AromaticContact CD1-CD2 3.52Å; W109-W111 AromaticContact CD1-CE2 3.44Å; W109-W111 VanDerWaalsContact CD1-CE2 3.44Å; W109-W111 AromaticContact CD1-CE3 3.9Å; W109-W111 AromaticContact CD1-CG 3.94Å; W109-W111 AromaticContact CD1-CH2 3.98Å; W109-W111 AromaticContact CD1-CZ2 3.69Å; W109-W111 AromaticContact CD1-NE1 3.85Å; W109-W111 AromaticContact NE1-CD2 3.55Å; W109-W111 AromaticContact NE1-CE2 3.81Å; W109-W111 AromaticContact NE1-CE3 3.4Å; W109-W111 AromaticContact NE1-CH2 3.68Å; W109-W111 AromaticContact NE1-CZ2 3.88Å; W109-W111 AromaticContact NE1-CZ3 3.47Å; W109-W111 PolarHBondContact O-N 3.07Å; W111-K113 PolarHBondContact O-N 2.8Å; W111-L114 HydrophobicContact CE3-CB 4.23Å; W111-L114 HydrophobicContact CE3-CD2 3.66Å; W111-L114 HydrophobicContact CZ3-CD2 3.73Å; W111-L114 WeakPolarHBondContact O-CA 3.46Å; W111-L114 VanDerWaalsContact O-CB 3.23Å; W111-L114 WeakPolarHBondContact O-CB 3.36Å; W111-L114 PolarHBondContact O-N 3.43Å; W111-A115 PolarHBondContact O-N 3.4Å; W111-L174 HydrophobicContact CE3-CB 4.45Å; W111-L174 HydrophobicContact CH2-CB 3.48Å; W111-L174 VanDerWaalsContact CH2-CB 3.48Å; W111-L174 HydrophobicContact CH2-CD1 4.36Å; W111-L174 HydrophobicContact CH2-CD2 4.4Å; W111-L174 HydrophobicContact CH2-CG 4.31Å; W111-L174 HydrophobicContact CZ2-CB 4.14Å; W111-L174 WeakPolarHBondContact CZ2-O 3.32Å; W111-L174 HydrophobicContact CZ3-CB 3.62Å; W111-L174 HydrophobicContact CZ3-CD1 4.2Å; W111-L174 HydrophobicContact CZ3-CG 4.49Å; W111-H175 WeakPolarHBondContact CB-ND1 3.21Å; W111-H175 AromaticContact CD1-CE1 3.97Å; W111-H175 AromaticContact CD1-ND1 3.15Å; W111-H175 HydrophobicContact CD2-CB 4.28Å; W111-H175 HydrophobicContact CG-CB 4.16Å; W111-H175 AromaticContact CG-ND1 3.21Å
112	P	50.5	Low	62.8	Low	97 Å²	97	66.6 Å²	66.6	63%	0.63	33%	0.333	S	S	*	.	H	α-helix	trans	-55.7	-31.7	169	-28.7	36.5	0	0	0	114	H110 L114 A115 E116	H110-P112 VanDerWaalsContact O-N 3.15Å; P112-L114 VanDerWaalsContact C-N 3.29Å; P112-L114 PolarHBondContact O-N 2.71Å; P112-A115 PolarHBondContact O-N 3.2Å; P112-E116 PolarHBondContact O-N 3.47Å
113	K	63.2	Low	63.6	Low	69 Å²	69	62.5 Å²	62.5	30%	0.3	32%	0.316	S	S	.	.	H	α-helix	trans	-66.4	-31.2	172	-66.7	-172.8	172.7	-171.1	0	111.8	F99 H110 W111 E116 V117	F99-K113 HydrophobicContact CE1-CD 4.24Å; F99-K113 HydrophobicContact CZ-CB 4.32Å; F99-K113 HydrophobicContact CZ-CD 4.41Å; H110-K113 HydrophobicContact CB-CD 4.39Å; H110-K113 HydrophobicContact CB-CG 4.1Å; H110-K113 VanDerWaalsContact O-CB 3.27Å; H110-K113 WeakPolarHBondContact O-CB 3.27Å; H110-K113 PolarHBondContact O-N 3.03Å; W111-K113 PolarHBondContact O-N 2.8Å; K113-E116 PolarHBondContact O-N 2.96Å; K113-V117 WeakPolarHBondContact O-CG2 3.36Å; K113-V117 PolarHBondContact O-N 2.74Å
114	L	65.7	Low	64.1	Low	18 Å²	18	59.3 Å²	59.3	9%	0.094	30%	0.299	C	S	.	.	H	α-helix	trans	-64.9	-42.7	174.3	-177.1	65.6	0	0	0	111.1	W111 P112 E116 V117 C118 V165 A171	W111-L114 HydrophobicContact CE3-CB 4.23Å; W111-L114 HydrophobicContact CE3-CD2 3.66Å; W111-L114 HydrophobicContact CZ3-CD2 3.73Å; W111-L114 WeakPolarHBondContact O-CA 3.46Å; W111-L114 VanDerWaalsContact O-CB 3.23Å; W111-L114 WeakPolarHBondContact O-CB 3.36Å; W111-L114 PolarHBondContact O-N 3.43Å; P112-L114 VanDerWaalsContact C-N 3.29Å; P112-L114 PolarHBondContact O-N 2.71Å; L114-E116 PolarHBondContact O-N 3.42Å; L114-V117 WeakPolarHBondContact O-CB 3.38Å; L114-V117 PolarHBondContact O-N 3.21Å; L114-C118 WeakPolarHBondContact O-CB 3.45Å; L114-C118 PolarHBondContact O-N 2.99Å; L114-C118 PolarHBondContact O-SG 2.96Å; L114-V165 HydrophobicContact CD1-CG1 3.78Å; L114-V165 HydrophobicContact CD2-CG1 4.21Å; L114-A171 HydrophobicContact CD2-CB 4.31Å
115	A	67.9	Low	64.9	Low	68 Å²	68	58.1 Å²	58.1	56%	0.562	29%	0.292	S	S	*	.	H	α-helix	trans	-59.9	-38.6	175.5	0	0	0	0	0	111.6	W111 P112 C118 R119	W111-A115 PolarHBondContact O-N 3.4Å; P112-A115 PolarHBondContact O-N 3.2Å; A115-C118 PolarHBondContact O-N 3.38Å; A115-R119 WeakPolarHBondContact O-CB 3.42Å; A115-R119 PolarHBondContact O-N 2.04Å
116	E	69.1	Low	65.4	Low	106 Å²	106	61.7 Å²	61.7	50%	0.495	31%	0.312	S	S	.	.	H	α-helix	trans	-67.4	-43.9	173.7	-173.2	174.2	-159.5	0	0	112.7	P112 K113 L114 C118 R119 L120	P112-E116 PolarHBondContact O-N 3.47Å; K113-E116 PolarHBondContact O-N 2.96Å; L114-E116 PolarHBondContact O-N 3.42Å; E116-C118 VanDerWaalsContact C-N 3.3Å; E116-C118 PolarHBondContact O-N 3.09Å; E116-R119 PolarHBondContact O-N 2.93Å; E116-L120 HydrophobicContact CG-CD1 4.06Å; E116-L120 WeakPolarHBondContact O-CB 3.4Å; E116-L120 WeakPolarHBondContact O-CG 3.3Å; E116-L120 PolarHBondContact O-N 2.92Å
117	V	70.7	Confident	65.7	Low	11 Å²	11	56.7 Å²	56.7	7%	0.067	29%	0.285	C	S	.	.	H	α-helix	trans	-56.1	-46.8	173.1	173.9	0	0	0	0	110	V94 L96 K113 L114 L120 F121	V94-V117 HydrophobicContact CG1-CB 4.11Å; V94-V117 HydrophobicContact CG1-CG1 4.16Å; V94-V117 HydrophobicContact CG1-CG2 3.41Å; V94-V117 VanDerWaalsContact CG1-CG2 3.41Å; L96-V117 HydrophobicContact CD2-CG2 4.33Å; K113-V117 WeakPolarHBondContact O-CG2 3.36Å; K113-V117 PolarHBondContact O-N 2.74Å; L114-V117 WeakPolarHBondContact O-CB 3.38Å; L114-V117 PolarHBondContact O-N 3.21Å; V117-L120 PolarHBondContact O-N 3.29Å; V117-F121 WeakPolarHBondContact O-CB 3.49Å; V117-F121 PolarHBondContact O-N 2.81Å
118	C	73.7	Confident	66.5	Low	14 Å²	14	50.1 Å²	50.1	10%	0.095	26%	0.257	C	S	.	.	H	α-helix	trans	-65.7	-41.9	179.4	-69.9	0	0	0	0	112.4	L114 A115 E116 F121 H122 C166	L114-C118 WeakPolarHBondContact O-CB 3.45Å; L114-C118 PolarHBondContact O-N 2.99Å; L114-C118 PolarHBondContact O-SG 2.96Å; A115-C118 PolarHBondContact O-N 3.38Å; E116-C118 VanDerWaalsContact C-N 3.3Å; E116-C118 PolarHBondContact O-N 3.09Å; C118-F121 PolarHBondContact O-N 2.94Å; C118-H122 PolarHBondContact O-CD2 3.2Å; C118-H122 PolarHBondContact O-N 3Å; C118-C166 WeakPolarHBondContact CA-SG 3.27Å; C118-C166 HydrophobicContact CB-CB 3.71Å; C118-C166 WeakPolarHBondContact CB-SG 3.37Å; C118-C166 WeakPolarHBondContact SG-CA 3.43Å; C118-C166 WeakPolarHBondContact SG-CB 3.38Å; C118-C166 CovalentContact SG-SG 2.04Å; C118-C166 PolarHBondContact SG-SG 2.9Å
119	R	76.3	Confident	67.1	Low	125 Å²	125	52.6 Å²	52.6	47%	0.472	26%	0.259	S	S	.	.	H	α-helix	trans	-58.9	-50.1	173.6	-173.9	-170.5	64.9	73.1	0.7	111.1	A115 E116 F121 H122 D123	A115-R119 WeakPolarHBondContact O-CB 3.42Å; A115-R119 PolarHBondContact O-N 2.04Å; E116-R119 PolarHBondContact O-N 2.93Å; R119-F121 VanDerWaalsContact C-N 3.31Å; R119-F121 PolarHBondContact O-N 3.35Å; R119-H122 PolarHBondContact O-N 2.94Å; R119-D123 IonicContact NH1-OD2 3.99Å; R119-D123 PolarHBondContact NH1-OD2 3.46Å; R119-D123 VanDerWaalsContact O-CG 3.3Å; R119-D123 PolarHBondContact O-N 3.29Å
120	L	74.8	Confident	67.6	Low	15 Å²	15	52 Å²	52	8%	0.079	26%	0.259	C	S	.	.	H	α-helix	trans	-65.4	-34.3	179.5	-74.8	174.9	0	0	0	112.5	H90 V94 E116 V117 D123 Y124	H90-L120 WeakPolarHBondContact O-CB 3.47Å; H90-L120 WeakPolarHBondContact O-CD2 3.46Å; V94-L120 HydrophobicContact CB-CD1 4.31Å; V94-L120 HydrophobicContact CG2-CB 3.64Å; V94-L120 HydrophobicContact CG2-CD1 3.43Å; V94-L120 VanDerWaalsContact CG2-CD1 3.43Å; V94-L120 HydrophobicContact CG2-CG 4.16Å; E116-L120 HydrophobicContact CG-CD1 4.06Å; E116-L120 WeakPolarHBondContact O-CB 3.4Å; E116-L120 WeakPolarHBondContact O-CG 3.3Å; E116-L120 PolarHBondContact O-N 2.92Å; V117-L120 PolarHBondContact O-N 3.29Å; L120-D123 PolarHBondContact O-N 3.49Å; L120-Y124 WeakPolarHBondContact O-CB 3.4Å; L120-Y124 PolarHBondContact O-N 3.43Å
121	F	73.3	Confident	67.7	Low	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.1	-45.8	172.7	173.7	-108.2	0	0	0	111.9	F91 V117 C118 R119 D123 Y124 L125 L147 L162 N163	F91-F121 HydrophobicContact CD2-CD2 4.49Å; F91-F121 HydrophobicContact CE2-CB 4.43Å; F91-F121 HydrophobicContact CE2-CD2 4Å; V117-F121 WeakPolarHBondContact O-CB 3.49Å; V117-F121 PolarHBondContact O-N 2.81Å; C118-F121 PolarHBondContact O-N 2.94Å; R119-F121 VanDerWaalsContact C-N 3.31Å; R119-F121 PolarHBondContact O-N 3.35Å; F121-D123 VanDerWaalsContact C-N 3.35Å; F121-D123 PolarHBondContact O-N 3.35Å; F121-Y124 WeakPolarHBondContact O-CB 3.35Å; F121-Y124 PolarHBondContact O-N 3.27Å; F121-L125 HydrophobicContact CD1-CD1 4.15Å; F121-L125 HydrophobicContact CE1-CD1 3.47Å; F121-L125 VanDerWaalsContact CE1-CD1 3.47Å; F121-L125 HydrophobicContact CE1-CG 4.05Å; F121-L125 HydrophobicContact CE2-CD1 4.39Å; F121-L125 HydrophobicContact CE2-CD2 4.15Å; F121-L125 HydrophobicContact CE2-CG 4.13Å; F121-L125 HydrophobicContact CZ-CD1 3.61Å; F121-L125 HydrophobicContact CZ-CD2 3.94Å; F121-L125 HydrophobicContact CZ-CG 3.83Å; F121-L125 WeakPolarHBondContact O-CG 3.14Å; F121-L125 PolarHBondContact O-N 3.46Å; F121-L147 HydrophobicContact CE2-CB 4.01Å; F121-L147 HydrophobicContact CE2-CD1 4.42Å; F121-L147 HydrophobicContact CE2-CD2 4.12Å; F121-L147 HydrophobicContact CE2-CG 4.42Å; F121-L147 VanDerWaalsContact CZ-O 3.3Å; F121-L147 WeakPolarHBondContact CZ-O 3.49Å; F121-L162 HydrophobicContact CD1-CB 4.18Å; F121-L162 HydrophobicContact CD2-CB 3.84Å; F121-L162 HydrophobicContact CD2-CD1 3.77Å; F121-L162 HydrophobicContact CD2-CG 4.47Å; F121-L162 HydrophobicContact CE1-CB 4.06Å; F121-L162 HydrophobicContact CE2-CB 3.72Å; F121-L162 HydrophobicContact CE2-CD1 4.13Å; F121-L162 HydrophobicContact CG-CB 4.07Å; F121-L162 HydrophobicContact CG-CD1 4.4Å; F121-L162 HydrophobicContact CZ-CB 3.83Å; F121-N163 HydrophobicContact CE1-CB 3.93Å; F121-N163 HydrophobicContact CZ-CB 4.22Å
122	H	73.4	Confident	67.8	Low	73 Å²	73	47.7 Å²	47.7	34%	0.338	25%	0.246	S	C	.	.	H	α-helix	trans	-65.4	-37.1	174.5	-69.8	-54.6	0	0	0	112.3	C118 R119 Y124 L125 N126	C118-H122 PolarHBondContact O-CD2 3.2Å; C118-H122 PolarHBondContact O-N 3Å; R119-H122 PolarHBondContact O-N 2.94Å; H122-Y124 VanDerWaalsContact C-N 3.33Å; H122-L125 PolarHBondContact O-N 3.31Å; H122-N126 WeakPolarHBondContact O-CB 3.23Å; H122-N126 PolarHBondContact O-N 3.27Å; H122-N126 PolarHBondContact O-ND2 2.93Å; H122-N126 VanDerWaalsContact O-ND2 3.11Å
123	D	74.5	Confident	67.7	Low	50 Å²	50	45.5 Å²	45.5	27%	0.267	23%	0.229	S	C	.	.	H	α-helix	trans	-61.7	-41.5	172.3	-68.8	-22.5	0	0	0	111.3	H90 R119 L120 F121 N126 C127	H90-D123 HydrophobicContact CB-CB 4.29Å; R119-D123 IonicContact NH1-OD2 3.99Å; R119-D123 PolarHBondContact NH1-OD2 3.46Å; R119-D123 VanDerWaalsContact O-CG 3.3Å; R119-D123 PolarHBondContact O-N 3.29Å; L120-D123 PolarHBondContact O-N 3.49Å; F121-D123 VanDerWaalsContact C-N 3.35Å; F121-D123 PolarHBondContact O-N 3.35Å; D123-N126 PolarHBondContact O-N 2.93Å; D123-C127 WeakPolarHBondContact O-CB 3.23Å; D123-C127 PolarHBondContact O-N 3.47Å
124	Y	74.3	Confident	67.3	Low	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-47.1	172.5	165.3	-95.8	0	0	0	112.3	F83 C86 F87 F91 L120 F121 H122 N126 C127 M128 H144 L147	F83-Y124 HydrophobicContact CD2-CE2 4.49Å; F83-Y124 WeakPolarHBondContact CD2-OH 3.29Å; F83-Y124 VanDerWaalsContact CE2-OH 3.23Å; F83-Y124 WeakPolarHBondContact CE2-OH 3.38Å; C86-Y124 HydrophobicContact CB-CD2 3.99Å; C86-Y124 HydrophobicContact CB-CE2 4.12Å; F87-Y124 HydrophobicContact CB-CE2 4.24Å; F87-Y124 HydrophobicContact CD2-CE2 4.14Å; F91-Y124 HydrophobicContact CB-CD2 4.23Å; F91-Y124 HydrophobicContact CB-CG 4.43Å; F91-Y124 HydrophobicContact CD2-CG 4.46Å; L120-Y124 WeakPolarHBondContact O-CB 3.4Å; L120-Y124 PolarHBondContact O-N 3.43Å; F121-Y124 WeakPolarHBondContact O-CB 3.35Å; F121-Y124 PolarHBondContact O-N 3.27Å; H122-Y124 VanDerWaalsContact C-N 3.33Å; Y124-N126 PolarHBondContact O-N 3.3Å; Y124-C127 CarbonylContact O-C 3.56Å; Y124-C127 WeakPolarHBondContact O-CA 3.45Å; Y124-C127 WeakPolarHBondContact O-CB 3.48Å; Y124-C127 PolarHBondContact O-N 2.04Å; Y124-C127 VanDerWaalsContact O-N 3.12Å; Y124-M128 HydrophobicContact CD2-CG 4.27Å; Y124-M128 HydrophobicContact CE1-CG 3.99Å; Y124-M128 HydrophobicContact CE2-CG 3.73Å; Y124-M128 HydrophobicContact CE2-SD 4.25Å; Y124-M128 PolarHBondContact O-N 2.93Å; Y124-H144 AromaticContact CZ-CD2 3.98Å; Y124-H144 PolarHBondContact OH-CD2 3.2Å; Y124-L147 HydrophobicContact CE1-CD1 4Å
125	L	70	Confident	66.2	Low	7 Å²	7	45 Å²	45	4%	0.037	23%	0.231	C	C	.	.	H	α-helix	trans	-58.8	-48.2	176.5	-71.9	-177.6	0	0	0	110.8	F121 H122 C127 M128 Y129 V148	F121-L125 HydrophobicContact CD1-CD1 4.15Å; F121-L125 HydrophobicContact CE1-CD1 3.47Å; F121-L125 VanDerWaalsContact CE1-CD1 3.47Å; F121-L125 HydrophobicContact CE1-CG 4.05Å; F121-L125 HydrophobicContact CE2-CD1 4.39Å; F121-L125 HydrophobicContact CE2-CD2 4.15Å; F121-L125 HydrophobicContact CE2-CG 4.13Å; F121-L125 HydrophobicContact CZ-CD1 3.61Å; F121-L125 HydrophobicContact CZ-CD2 3.94Å; F121-L125 HydrophobicContact CZ-CG 3.83Å; F121-L125 WeakPolarHBondContact O-CG 3.14Å; F121-L125 PolarHBondContact O-N 3.46Å; H122-L125 PolarHBondContact O-N 3.31Å; L125-C127 PolarHBondContact O-N 3.41Å; L125-M128 CarbonylContact O-C 3.6Å; L125-M128 WeakPolarHBondContact O-CA 3.29Å; L125-M128 PolarHBondContact O-N 3.37Å; L125-Y129 HydrophobicContact CB-CD2 4.16Å; L125-Y129 HydrophobicContact CB-CE2 4.1Å; L125-Y129 HydrophobicContact CD2-CE2 4.43Å; L125-Y129 WeakPolarHBondContact O-CD2 3.5Å; L125-Y129 PolarHBondContact O-N 2.81Å; L125-V148 HydrophobicContact CD2-CB 4.07Å; L125-V148 HydrophobicContact CD2-CG1 4.18Å; L125-V148 HydrophobicContact CD2-CG2 3.26Å
126	N	68.8	Low	65	Low	104 Å²	104	43.7 Å²	43.7	56%	0.556	21%	0.214	S	C	*	.	H	α-helix	trans	-58.7	-37.3	176.1	-69.8	-31.2	0	0	0	111.9	H122 D123 Y124	H122-N126 WeakPolarHBondContact O-CB 3.23Å; H122-N126 PolarHBondContact O-N 3.27Å; H122-N126 PolarHBondContact O-ND2 2.93Å; H122-N126 VanDerWaalsContact O-ND2 3.11Å; D123-N126 PolarHBondContact O-N 2.93Å; Y124-N126 PolarHBondContact O-N 3.3Å
127	C	70.1	Confident	64.2	Low	2 Å²	2	40.6 Å²	40.6	1%	0.014	21%	0.21	C	C	.	.	H	α-helix	trans	-66	-36.4	173.3	-171.2	0	0	0	0	112.3	R82 C86 D123 Y124 L125	R82-C127 PolarHBondContact NE-O 2.91Å; R82-C127 PolarHBondContact NH2-O 3.46Å; C86-C127 WeakPolarHBondContact CA-SG 3.47Å; C86-C127 HydrophobicContact CB-CB 3.74Å; C86-C127 WeakPolarHBondContact CB-SG 3.5Å; C86-C127 WeakPolarHBondContact SG-CB 3.37Å; C86-C127 PolarHBondContact SG-O 3.47Å; C86-C127 VanDerWaalsContact SG-O 3.4Å; C86-C127 CovalentContact SG-SG 2.04Å; C86-C127 PolarHBondContact SG-SG 3.37Å; D123-C127 WeakPolarHBondContact O-CB 3.23Å; D123-C127 PolarHBondContact O-N 3.47Å; Y124-C127 CarbonylContact O-C 3.56Å; Y124-C127 WeakPolarHBondContact O-CA 3.45Å; Y124-C127 WeakPolarHBondContact O-CB 3.48Å; Y124-C127 PolarHBondContact O-N 2.04Å; Y124-C127 VanDerWaalsContact O-N 3.12Å; L125-C127 PolarHBondContact O-N 3.41Å
128	M	70.2	Confident	63.1	Low	12 Å²	12	44.7 Å²	44.7	6%	0.059	23%	0.231	C	C	.	.	H	α-helix	trans	-79.7	-27.4	178.3	-70.9	-59.7	-67.3	0	0	114.1	Y79 R82 F83 C86 Y124 L125 Q130 H144	Y79-M128 HydrophobicContact CE2-CE 3.84Å; Y79-M128 WeakPolarHBondContact OH-CE 3.42Å; R82-M128 PolarHBondContact NH2-O 2.9Å; F83-M128 HydrophobicContact CB-CE 4.4Å; F83-M128 HydrophobicContact CD2-CE 4.27Å; F83-M128 HydrophobicContact CD2-SD 4.39Å; C86-M128 HydrophobicContact CB-CG 4.36Å; C86-M128 HydrophobicContact CB-SD 3.98Å; Y124-M128 HydrophobicContact CD2-CG 4.27Å; Y124-M128 HydrophobicContact CE1-CG 3.99Å; Y124-M128 HydrophobicContact CE2-CG 3.73Å; Y124-M128 HydrophobicContact CE2-SD 4.25Å; Y124-M128 PolarHBondContact O-N 2.93Å; L125-M128 CarbonylContact O-C 3.6Å; L125-M128 WeakPolarHBondContact O-CA 3.29Å; L125-M128 PolarHBondContact O-N 3.37Å; M128-Q130 VanDerWaalsContact C-N 3.3Å; M128-Q130 PolarHBondContact O-N 2.8Å; M128-H144 WeakPolarHBondContact CE-NE2 3.41Å
129	Y	66.6	Low	62.2	Low	124 Å²	124	44.2 Å²	44.2	49%	0.486	23%	0.228	S	C	.	.	S	Bend	trans	-77.2	-4.5	-179.3	-83.7	-64.5	0	0	0	115.3	L125 V148	L125-Y129 HydrophobicContact CB-CD2 4.16Å; L125-Y129 HydrophobicContact CB-CE2 4.1Å; L125-Y129 HydrophobicContact CD2-CE2 4.43Å; L125-Y129 WeakPolarHBondContact O-CD2 3.5Å; L125-Y129 PolarHBondContact O-N 2.81Å; Y129-V148 HydrophobicContact CE2-CG1 4.4Å; Y129-V148 WeakPolarHBondContact OH-CG1 3.44Å
130	Q	63.6	Low	61.3	Low	40 Å²	40	41.1 Å²	41.1	19%	0.187	22%	0.221	C	C	.	.			trans	-66.3	139.1	173.4	-47.6	-177.3	-42.7	0	0	110.1	R82 M128 S132	R82-Q130 PolarHBondContact NH1-O 3.05Å; R82-Q130 VanDerWaalsContact NH2-CA 3.29Å; R82-Q130 PolarHBondContact NH2-O 3.29Å; M128-Q130 VanDerWaalsContact C-N 3.3Å; M128-Q130 PolarHBondContact O-N 2.8Å; Q130-S132 VanDerWaalsContact C-N 3.28Å; Q130-S132 PolarHBondContact O-N 3.24Å
131	P	54.3	Low	60.4	Low	60 Å²	60	41.7 Å²	41.7	39%	0.39	23%	0.226	S	C	.	.	S	Bend	trans	-68.7	-19.2	-169.2	-23.4	34.1	0	0	0	115.7	L133	P131-L133 VanDerWaalsContact C-N 3.33Å; P131-L133 PolarHBondContact O-N 2.69Å
132	S	53.3	Low	59.5	Low	6 Å²	6	44.5 Å²	44.5	4%	0.042	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-4.7	-147.7	50.1	0	0	0	0	120.5	Q130 E328 N375	Q130-S132 VanDerWaalsContact C-N 3.28Å; Q130-S132 PolarHBondContact O-N 3.24Å; S132-E328 VanDerWaalsContact C-CD 3.44Å; S132-E328 WeakPolarHBondContact CA-OE1 3.16Å; S132-E328 WeakPolarHBondContact CA-OE2 3.42Å; S132-N375 WeakPolarHBondContact CB-OD1 3.14Å; S132-N375 PolarHBondContact OG-OD1 3.11Å
133	L	47.9	Very low	58.5	Low	52 Å²	52	41.1 Å²	41.1	27%	0.272	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-157.5	15.8	-177.4	-75.4	177.9	0	0	0	113.6	Y79 P131 P135 E328 F389	Y79-L133 VanDerWaalsContact CB-O 3.27Å; Y79-L133 WeakPolarHBondContact CB-O 3.41Å; Y79-L133 WeakPolarHBondContact CD2-O 3.37Å; P131-L133 VanDerWaalsContact C-N 3.33Å; P131-L133 PolarHBondContact O-N 2.69Å; L133-P135 WeakPolarHBondContact O-CD 3.15Å; L133-E328 PolarHBondContact N-OE1 3.27Å; L133-E328 VanDerWaalsContact N-OE1 3.14Å; L133-F389 HydrophobicContact CD1-CD2 3.99Å
134	N	55.3	Low	57.8	Low	42 Å²	42	39.4 Å²	39.4	23%	0.225	21%	0.213	C	C	.	.			trans	-106.6	74.2	165.6	-172.3	4.4	0	0	0	107.9	Y79 M136 G137 C139	Y79-N134 HydrophobicContact CD2-CB 3.8Å; Y79-N134 HydrophobicContact CE2-CB 3.77Å; N134-M136 VanDerWaalsContact C-N 3.32Å; N134-M136 PolarHBondContact O-N 2.84Å; N134-G137 WeakPolarHBondContact OD1-CA 3.49Å; N134-G137 PolarHBondContact OD1-N 3.12Å; N134-C139 PolarHBondContact OD1-O 2.92Å
135	P	43.1	Very low	56.8	Low	33 Å²	33	40 Å²	40	21%	0.214	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-61.5	107.2	173.7	27.9	-32.1	0	0	0	106.1	L133 G137	L133-P135 WeakPolarHBondContact O-CD 3.15Å; P135-G137 PolarHBondContact O-N 2.92Å
136	M	42.4	Very low	56	Low	42 Å²	42	39.6 Å²	39.6	21%	0.207	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	78.3	13	160.2	-29.1	-166.9	24.9	0	0	119.1	N134 L138 E280 L281 G282 E285	N134-M136 VanDerWaalsContact C-N 3.32Å; N134-M136 PolarHBondContact O-N 2.84Å; M136-L138 HydrophobicContact CB-CB 4.38Å; M136-L138 HydrophobicContact CB-CD1 3.62Å; M136-L138 HydrophobicContact CB-CG 3.72Å; M136-L138 HydrophobicContact CE-CD1 3.67Å; M136-L138 HydrophobicContact CG-CD1 3.92Å; M136-L138 PolarHBondContact O-N 2.05Å; M136-L138 HydrophobicContact SD-CD1 3.66Å; M136-E280 WeakPolarHBondContact CA-O 3.33Å; M136-L281 HydrophobicContact CE-CB 4.26Å; M136-L281 HydrophobicContact CE-CG 4.34Å; M136-G282 WeakPolarHBondContact CE-O 3.42Å; M136-G282 WeakPolarHBondContact SD-CA 3.47Å; M136-G282 PolarHBondContact SD-N 3.15Å; M136-E285 HydrophobicContact CE-CB 3.3Å; M136-E285 HydrophobicContact CE-CG 4.25Å
137	G	51.9	Low	55.2	Low	40 Å²	40	34.7 Å²	34.7	41%	0.412	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	59.6	19.5	-171.5	0	0	0	0	0	112.6	N134 P135	N134-G137 WeakPolarHBondContact OD1-CA 3.49Å; N134-G137 PolarHBondContact OD1-N 3.12Å; P135-G137 PolarHBondContact O-N 2.92Å
138	L	48.3	Very low	54.4	Low	97 Å²	97	35.3 Å²	35.3	51%	0.508	19%	0.193	S	C	.	.			trans	-88	-29.6	179.3	-72.6	171.8	0	0	0	111.6	I74 M136	I74-L138 HydrophobicContact CD1-CB 4.11Å; I74-L138 HydrophobicContact CD1-CD1 3.34Å; I74-L138 HydrophobicContact CD1-CG 4.3Å; M136-L138 HydrophobicContact CB-CB 4.38Å; M136-L138 HydrophobicContact CB-CD1 3.62Å; M136-L138 HydrophobicContact CB-CG 3.72Å; M136-L138 HydrophobicContact CE-CD1 3.67Å; M136-L138 HydrophobicContact CG-CD1 3.92Å; M136-L138 PolarHBondContact O-N 2.05Å; M136-L138 HydrophobicContact SD-CD1 3.66Å
139	C	54.1	Low	53.3	Low	4 Å²	4	36 Å²	36	3%	0.027	20%	0.196	C	C	.	.	S	Bend	trans	-98.4	103.5	170.2	-56.6	0	0	0	0	106.4	C76 Y79 N134	C76-C139 VanDerWaalsContact CA-SG 3.52Å; C76-C139 HydrophobicContact CB-CB 3.81Å; C76-C139 WeakPolarHBondContact CB-SG 3.4Å; C76-C139 WeakPolarHBondContact SG-CB 3.28Å; C76-C139 CovalentContact SG-SG 2.05Å; C76-C139 PolarHBondContact SG-SG 2.93Å; Y79-C139 HydrophobicContact CD1-CB 3.48Å; Y79-C139 VanDerWaalsContact CD1-CB 3.48Å; Y79-C139 WeakPolarHBondContact CD1-O 3.35Å; Y79-C139 HydrophobicContact CD2-CB 4.3Å; Y79-C139 HydrophobicContact CE1-CB 4.06Å; Y79-C139 WeakPolarHBondContact CE1-O 3.35Å; Y79-C139 VanDerWaalsContact CE2-O 3.26Å; Y79-C139 WeakPolarHBondContact CE2-O 3.45Å; Y79-C139 HydrophobicContact CG-CB 3.6Å; Y79-C139 PolarHBondContact OH-O 3.35Å; N134-C139 PolarHBondContact OD1-O 2.92Å
140	D	57.6	Low	52	Low	60 Å²	60	33.1 Å²	33.1	32%	0.321	19%	0.189	S	C	.	.			trans	-128.2	132.7	168.1	-86.7	-41.4	0	0	0	108.6	Y79 H144	Y79-D140 WeakPolarHBondContact OH-CA 3.42Å; Y79-D140 PolarHBondContact OH-OD1 3.48Å; D140-H144 IonicContact OD1-CE1 2.7Å; D140-H144 IonicContact OD1-ND1 3.2Å; D140-H144 PolarHBondContact OD1-ND1 2.88Å
141	P	55.9	Low	50.6	Low	27 Å²	27	34.4 Å²	34.4	18%	0.175	19%	0.194	C	C	.	.			trans	-70.9	145.9	166.3	38.4	-34.7	0	0	0	107.3	Y79 F83 G143 H144	Y79-P141 HydrophobicContact CE1-CG 4.43Å; Y79-P141 WeakPolarHBondContact OH-CD 3.17Å; F83-P141 HydrophobicContact CB-CG 4.41Å; F83-P141 HydrophobicContact CD1-CB 3.83Å; F83-P141 HydrophobicContact CD1-CG 3.81Å; F83-P141 HydrophobicContact CD2-CB 4.31Å; F83-P141 HydrophobicContact CD2-CG 3.39Å; F83-P141 HydrophobicContact CE1-CB 3.68Å; F83-P141 HydrophobicContact CE1-CG 3.79Å; F83-P141 HydrophobicContact CE2-CB 4.13Å; F83-P141 HydrophobicContact CE2-CG 3.33Å; F83-P141 HydrophobicContact CG-CB 4.12Å; F83-P141 HydrophobicContact CG-CG 3.59Å; F83-P141 HydrophobicContact CZ-CB 3.82Å; F83-P141 HydrophobicContact CZ-CG 3.54Å; P141-G143 PolarHBondContact O-N 2.76Å; P141-H144 HydrophobicContact CG-CB 3.47Å; P141-H144 VanDerWaalsContact CG-CB 3.47Å; P141-H144 PolarHBondContact O-N 3.35Å; P141-H144 VanDerWaalsContact O-N 3.16Å
142	F	53.3	Low	49.6	Very low	59 Å²	59	40.2 Å²	40.2	26%	0.259	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	125.1	168.6	-177.9	-79.3	0	0	0	109.8	I204 D212 V215 L256	F142-I204 HydrophobicContact CE1-CG2 4.09Å; F142-D212 HydrophobicContact CE2-CB 4.44Å; F142-V215 HydrophobicContact CD1-CG2 4.15Å; F142-V215 HydrophobicContact CE1-CB 3.45Å; F142-V215 VanDerWaalsContact CE1-CB 3.45Å; F142-V215 HydrophobicContact CE1-CG1 3.4Å; F142-V215 VanDerWaalsContact CE1-CG1 3.4Å; F142-V215 HydrophobicContact CE1-CG2 3.39Å; F142-V215 HydrophobicContact CZ-CB 3.41Å; F142-V215 VanDerWaalsContact CZ-CB 3.41Å; F142-V215 HydrophobicContact CZ-CG1 3.42Å; F142-V215 VanDerWaalsContact CZ-CG1 3.42Å; F142-V215 HydrophobicContact CZ-CG2 3.84Å; F142-L256 HydrophobicContact CD2-CD2 4.35Å; F142-L256 HydrophobicContact CE2-CB 4.32Å; F142-L256 HydrophobicContact CE2-CD2 3.92Å; F142-L256 HydrophobicContact CZ-CB 4.31Å; F142-L256 HydrophobicContact CZ-CD1 4.19Å; F142-L256 HydrophobicContact CZ-CD2 4.04Å; F142-L256 HydrophobicContact CZ-CG 4.43Å
143	G	53.9	Low	48.6	Very low	2 Å²	2	43.2 Å²	43.2	2%	0.021	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	98	-25	-179.4	0	0	0	0	0	116.4	P141 A146 L147	P141-G143 PolarHBondContact O-N 2.76Å; G143-A146 PolarHBondContact O-N 3.44Å; G143-L147 WeakPolarHBondContact O-CG 3.1Å; G143-L147 PolarHBondContact O-N 3.12Å
144	H	58.6	Low	48.1	Very low	14 Å²	14	49.9 Å²	49.9	7%	0.065	26%	0.263	C	S	.	.	H	α-helix	trans	-62.3	-49	173	168.3	-112.8	0	0	0	111.1	Y79 F83 Y124 M128 D140 P141 A146 L147 V148	Y79-H144 PolarHBondContact OH-ND1 3.37Å; F83-H144 HydrophobicContact CE2-CB 4.38Å; Y124-H144 AromaticContact CZ-CD2 3.98Å; Y124-H144 PolarHBondContact OH-CD2 3.2Å; M128-H144 WeakPolarHBondContact CE-NE2 3.41Å; D140-H144 IonicContact OD1-CE1 2.7Å; D140-H144 IonicContact OD1-ND1 3.2Å; D140-H144 PolarHBondContact OD1-ND1 2.88Å; P141-H144 HydrophobicContact CG-CB 3.47Å; P141-H144 VanDerWaalsContact CG-CB 3.47Å; P141-H144 PolarHBondContact O-N 3.35Å; P141-H144 VanDerWaalsContact O-N 3.16Å; H144-A146 VanDerWaalsContact C-N 3.27Å; H144-A146 PolarHBondContact O-N 3.03Å; H144-L147 CarbonylContact O-C 3.49Å; H144-L147 WeakPolarHBondContact O-CA 3.39Å; H144-L147 VanDerWaalsContact O-CB 3.26Å; H144-L147 WeakPolarHBondContact O-CB 3.14Å; H144-L147 PolarHBondContact O-N 3.18Å; H144-V148 WeakPolarHBondContact CD2-CG2 3.17Å; H144-V148 WeakPolarHBondContact NE2-CG2 3.49Å; H144-V148 WeakPolarHBondContact O-CB 3.44Å; H144-V148 WeakPolarHBondContact O-CG2 3.47Å; H144-V148 PolarHBondContact O-N 2.78Å
145	S	53.4	Low	47.2	Very low	12 Å²	12	57.3 Å²	57.3	8%	0.084	29%	0.294	C	S	.	.	H	α-helix	trans	-54.1	-42.4	175.7	44.5	0	0	0	0	112.7	L147 V148 I149 Y255	S145-L147 VanDerWaalsContact C-N 3.28Å; S145-L147 PolarHBondContact O-N 2.69Å; S145-V148 PolarHBondContact O-N 2.93Å; S145-V148 VanDerWaalsContact O-N 3.15Å; S145-I149 WeakPolarHBondContact O-CD1 3.36Å; S145-I149 VanDerWaalsContact O-CG1 3.29Å; S145-I149 WeakPolarHBondContact O-CG1 3.32Å; S145-I149 PolarHBondContact O-N 3.48Å; S145-I149 VanDerWaalsContact O-N 3.1Å; S145-Y255 VanDerWaalsContact OG-CE1 3.29Å; S145-Y255 WeakPolarHBondContact OG-CE1 3.02Å
146	A	52.9	Low	46.6	Very low	0 Å²	0	61 Å²	61	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-72.3	-19.7	176.9	0	0	0	0	0	114.4	G143 H144 M161 F201 A252 L256	G143-A146 PolarHBondContact O-N 3.44Å; H144-A146 VanDerWaalsContact C-N 3.27Å; H144-A146 PolarHBondContact O-N 3.03Å; A146-M161 PolarHBondContact O-N 3.03Å; A146-M161 VanDerWaalsContact O-N 3.15Å; A146-F201 HydrophobicContact CB-CE2 4.46Å; A146-F201 HydrophobicContact CB-CZ 3.85Å; A146-A252 HydrophobicContact CB-CB 4.38Å; A146-L256 HydrophobicContact CB-CD1 3.5Å; A146-L256 HydrophobicContact CB-CD2 4.2Å; A146-L256 HydrophobicContact CB-CG 4Å
147	L	53.5	Low	46.3	Very low	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-77.1	-38.3	167.2	-75.8	-172.4	0	0	0	111.8	F121 Y124 G143 H144 S145 G160 L162 F201 V205	F121-L147 HydrophobicContact CE2-CB 4.01Å; F121-L147 HydrophobicContact CE2-CD1 4.42Å; F121-L147 HydrophobicContact CE2-CD2 4.12Å; F121-L147 HydrophobicContact CE2-CG 4.42Å; F121-L147 VanDerWaalsContact CZ-O 3.3Å; F121-L147 WeakPolarHBondContact CZ-O 3.49Å; Y124-L147 HydrophobicContact CE1-CD1 4Å; G143-L147 WeakPolarHBondContact O-CG 3.1Å; G143-L147 PolarHBondContact O-N 3.12Å; H144-L147 CarbonylContact O-C 3.49Å; H144-L147 WeakPolarHBondContact O-CA 3.39Å; H144-L147 VanDerWaalsContact O-CB 3.26Å; H144-L147 WeakPolarHBondContact O-CB 3.14Å; H144-L147 PolarHBondContact O-N 3.18Å; S145-L147 VanDerWaalsContact C-N 3.28Å; S145-L147 PolarHBondContact O-N 2.69Å; L147-G160 VanDerWaalsContact O-CA 3.27Å; L147-G160 WeakPolarHBondContact O-CA 3.38Å; L147-L162 HydrophobicContact CD2-CB 4.09Å; L147-L162 HydrophobicContact CD2-CD1 3.4Å; L147-L162 VanDerWaalsContact CD2-CD1 3.4Å; L147-L162 HydrophobicContact CD2-CG 3.8Å; L147-F201 HydrophobicContact CD2-CE1 4.48Å; L147-V205 HydrophobicContact CD1-CB 4.45Å; L147-V205 HydrophobicContact CD1-CG1 3.82Å; L147-V205 HydrophobicContact CD1-CG2 4.08Å; L147-V205 HydrophobicContact CD2-CG2 4.48Å; L147-V205 HydrophobicContact CG-CG2 4.17Å
148	V	52.2	Low	45.6	Very low	16 Å²	16	64.5 Å²	64.5	10%	0.097	33%	0.328	C	S	.	.	H	α-helix	trans	-103.8	-31.5	-157.8	174.9	0	0	0	0	116.4	L125 Y129 H144 S145 I150	L125-V148 HydrophobicContact CD2-CB 4.07Å; L125-V148 HydrophobicContact CD2-CG1 4.18Å; L125-V148 HydrophobicContact CD2-CG2 3.26Å; Y129-V148 HydrophobicContact CE2-CG1 4.4Å; Y129-V148 WeakPolarHBondContact OH-CG1 3.44Å; H144-V148 WeakPolarHBondContact CD2-CG2 3.17Å; H144-V148 WeakPolarHBondContact NE2-CG2 3.49Å; H144-V148 WeakPolarHBondContact O-CB 3.44Å; H144-V148 WeakPolarHBondContact O-CG2 3.47Å; H144-V148 PolarHBondContact O-N 2.78Å; S145-V148 PolarHBondContact O-N 2.93Å; S145-V148 VanDerWaalsContact O-N 3.15Å; V148-I150 VanDerWaalsContact O-CG1 3.32Å; V148-I150 WeakPolarHBondContact O-CG1 3.46Å; V148-I150 PolarHBondContact O-N 2.84Å
149	I	46.7	Very low	45.3	Very low	26 Å²	26	60 Å²	60	13%	0.133	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-49.4	111.1	-165.9	-63.1	150.9	0	0	0	111.8	S145 F151 C159 G160 Y255	S145-I149 WeakPolarHBondContact O-CD1 3.36Å; S145-I149 VanDerWaalsContact O-CG1 3.29Å; S145-I149 WeakPolarHBondContact O-CG1 3.32Å; S145-I149 PolarHBondContact O-N 3.48Å; S145-I149 VanDerWaalsContact O-N 3.1Å; I149-F151 HydrophobicContact CG2-CD2 3.75Å; I149-F151 HydrophobicContact CG2-CE2 4.22Å; I149-C159 VanDerWaalsContact CA-O 3.28Å; I149-C159 WeakPolarHBondContact CA-O 3.15Å; I149-C159 HydrophobicContact CB-CB 3.4Å; I149-C159 VanDerWaalsContact CB-CB 3.4Å; I149-C159 WeakPolarHBondContact CB-O 3.41Å; I149-C159 HydrophobicContact CD1-CB 3.56Å; I149-C159 HydrophobicContact CG1-CB 4.08Å; I149-C159 HydrophobicContact CG2-CB 3.64Å; I149-C159 PolarHBondContact N-O 2.91Å; I149-C159 CarbonylContact O-C 3.5Å; I149-C159 WeakPolarHBondContact O-CA 3.31Å; I149-C159 PolarHBondContact O-N 2.93Å; I149-G160 PolarHBondContact O-N 3.23Å; I149-Y255 HydrophobicContact CD1-CD1 4.28Å; I149-Y255 HydrophobicContact CD1-CD2 3.81Å; I149-Y255 HydrophobicContact CD1-CE1 4.4Å; I149-Y255 HydrophobicContact CD1-CE2 3.9Å; I149-Y255 HydrophobicContact CD1-CG 3.99Å
150	I	39.2	Very low	45.4	Very low	64 Å²	64	60 Å²	60	33%	0.328	31%	0.306	S	S	.	.			trans	-133.5	89.7	172.2	-66.5	161.3	0	0	0	103.3	V148 N163	V148-I150 VanDerWaalsContact O-CG1 3.32Å; V148-I150 WeakPolarHBondContact O-CG1 3.46Å; V148-I150 PolarHBondContact O-N 2.84Å; I150-N163 WeakPolarHBondContact CD1-ND2 3.32Å; I150-N163 VanDerWaalsContact CG1-ND2 3.28Å; I150-N163 WeakPolarHBondContact CG1-ND2 3.19Å
151	F	34	Very low	45.2	Very low	67 Å²	67	58.1 Å²	58.1	29%	0.294	30%	0.295	S	S	.	.			trans	-88.5	110.1	171.7	-90	-72.2	0	0	0	110	I149 T153 A157 E279	I149-F151 HydrophobicContact CG2-CD2 3.75Å; I149-F151 HydrophobicContact CG2-CE2 4.22Å; F151-T153 VanDerWaalsContact C-N 3.28Å; F151-T153 PolarHBondContact O-N 3.13Å; F151-A157 WeakPolarHBondContact O-CA 3.5Å; F151-A157 WeakPolarHBondContact O-CB 3.46Å; F151-E279 WeakPolarHBondContact CE1-OE2 3.41Å; F151-E279 WeakPolarHBondContact CZ-OE2 3.38Å
152	Q	34.8	Very low	45.5	Very low	181 Å²	181	57.5 Å²	57.5	85%	0.846	29%	0.29	S	S	*	.			trans	-92.6	58.7	172.5	-150.6	160.8	-2.2	0	0	110.2
153	T	31.7	Very low	46	Very low	70 Å²	70	56.4 Å²	56.4	43%	0.429	29%	0.287	S	S	.	.	S	Bend	trans	-142.8	86.7	165.1	55.8	0	0	0	0	111.2	F151 F155 P277	F151-T153 VanDerWaalsContact C-N 3.28Å; F151-T153 PolarHBondContact O-N 3.13Å; T153-F155 VanDerWaalsContact C-N 3.32Å; T153-F155 PolarHBondContact O-N 3.34Å; T153-P277 HydrophobicContact CG2-CG 4.35Å
154	H	37.9	Very low	46.6	Very low	191 Å²	191	56.5 Å²	56.5	88%	0.884	29%	0.288	S	S	*	.	S	Bend	trans	47.6	-3.2	152.7	-110.9	-76.5	0	0	0	124.3
155	F	35.1	Very low	47.1	Very low	199 Å²	199	57.2 Å²	57.2	87%	0.873	29%	0.293	S	S	*	.	S	Bend	trans	-153.2	111.3	161.9	-111.4	-91.1	0	0	0	108.7	T153	T153-F155 VanDerWaalsContact C-N 3.32Å; T153-F155 PolarHBondContact O-N 3.34Å
156	D	30.6	Very low	47.8	Very low	111 Å²	111	57.6 Å²	57.6	59%	0.594	30%	0.295	S	S	*	.			trans	67	83.5	-175.8	-71.8	-24.2	0	0	0	119	Q158	D156-Q158 VanDerWaalsContact C-N 3.27Å; D156-Q158 PolarHBondContact O-N 2.95Å
157	A	36.7	Very low	48.8	Very low	65 Å²	65	61 Å²	61	54%	0.537	31%	0.311	S	S	.	.			trans	-81	28.3	171.4	0	0	0	0	0	115.3	F151	F151-A157 WeakPolarHBondContact O-CA 3.5Å; F151-A157 WeakPolarHBondContact O-CB 3.46Å
158	Q	36.9	Very low	49.8	Very low	90 Å²	90	71.4 Å²	71.4	42%	0.421	35%	0.351	S	S	.	.			trans	-115.1	115.6	-167.2	-60.9	178.2	24.3	0	0	110.9	D156 Q251	D156-Q158 VanDerWaalsContact C-N 3.27Å; D156-Q158 PolarHBondContact O-N 2.95Å; Q158-Q251 VanDerWaalsContact CB-OE1 3.22Å; Q158-Q251 PolarHBondContact O-NE2 3.17Å; Q158-Q251 PolarHBondContact O-OE1 3.39Å
159	C	42.9	Very low	50.9	Low	3 Å²	3	74 Å²	74	2%	0.02	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	176.5	75.9	139.7	-96.8	0	0	0	0	114.5	I149 Q251	I149-C159 VanDerWaalsContact CA-O 3.28Å; I149-C159 WeakPolarHBondContact CA-O 3.15Å; I149-C159 HydrophobicContact CB-CB 3.4Å; I149-C159 VanDerWaalsContact CB-CB 3.4Å; I149-C159 WeakPolarHBondContact CB-O 3.41Å; I149-C159 HydrophobicContact CD1-CB 3.56Å; I149-C159 HydrophobicContact CG1-CB 4.08Å; I149-C159 HydrophobicContact CG2-CB 3.64Å; I149-C159 PolarHBondContact N-O 2.91Å; I149-C159 CarbonylContact O-C 3.5Å; I149-C159 WeakPolarHBondContact O-CA 3.31Å; I149-C159 PolarHBondContact O-N 2.93Å; C159-Q251 WeakPolarHBondContact SG-CB 3.48Å; C159-Q251 WeakPolarHBondContact SG-CG 3.43Å; C159-Q251 PolarHBondContact SG-OE1 2.95Å; C159-Q251 VanDerWaalsContact SG-OE1 3.35Å
160	G	55.4	Low	52.2	Low	4 Å²	4	72.9 Å²	72.9	4%	0.041	36%	0.358	C	S	.	.			trans	-129	119.1	155	0	0	0	0	0	108.4	L147 I149 N163 A164	L147-G160 VanDerWaalsContact O-CA 3.27Å; L147-G160 WeakPolarHBondContact O-CA 3.38Å; I149-G160 PolarHBondContact O-N 3.23Å; G160-N163 PolarHBondContact O-N 2.97Å; G160-A164 VanDerWaalsContact O-CB 3.24Å; G160-A164 WeakPolarHBondContact O-CB 3.03Å; G160-A164 PolarHBondContact O-N 3.26Å
161	M	54.4	Low	53.9	Low	20 Å²	20	71 Å²	71	10%	0.099	35%	0.353	C	S	.	.	H	α-helix	trans	-61.3	-47.3	175.9	-89.4	-173.7	58	0	0	110.9	A146 V165 F201 M222 A252	A146-M161 PolarHBondContact O-N 3.03Å; A146-M161 VanDerWaalsContact O-N 3.15Å; M161-V165 VanDerWaalsContact O-CG2 3.28Å; M161-V165 WeakPolarHBondContact O-CG2 3.37Å; M161-V165 PolarHBondContact O-N 3.17Å; M161-V165 VanDerWaalsContact O-N 3.07Å; M161-F201 HydrophobicContact CB-CD1 4.39Å; M161-F201 HydrophobicContact CB-CE1 3.68Å; M161-F201 HydrophobicContact CB-CZ 4.16Å; M161-F201 HydrophobicContact CE-CB 4.44Å; M161-F201 HydrophobicContact CE-CD1 3.6Å; M161-F201 HydrophobicContact CE-CD2 4.35Å; M161-F201 HydrophobicContact CE-CE1 3.87Å; M161-F201 HydrophobicContact CE-CG 3.86Å; M161-F201 HydrophobicContact CE-CZ 4.35Å; M161-F201 HydrophobicContact CG-CE1 4.04Å; M161-F201 HydrophobicContact CG-CZ 4.1Å; M161-F201 HydrophobicContact SD-CD1 3.74Å; M161-F201 HydrophobicContact SD-CD2 3.91Å; M161-F201 HydrophobicContact SD-CE1 3.43Å; M161-F201 WeakPolarHBondContact SD-CE1 2.96Å; M161-F201 HydrophobicContact SD-CE2 3.6Å; M161-F201 HydrophobicContact SD-CG 3.97Å; M161-F201 HydrophobicContact SD-CZ 3.35Å; M161-F201 WeakPolarHBondContact SD-CZ 3.01Å; M161-M222 HydrophobicContact CE-CE 3.5Å; M161-M222 HydrophobicContact CE-SD 3.41Å; M161-M222 WeakPolarHBondContact CE-SD 3.02Å; M161-M222 HydrophobicContact SD-CE 3.81Å; M161-M222 HydrophobicContact SD-SD 4.36Å; M161-A252 HydrophobicContact CG-CB 4.26Å; M161-A252 HydrophobicContact SD-CB 4.38Å
162	L	60.5	Low	56	Low	14 Å²	14	71.1 Å²	71.1	7%	0.073	36%	0.359	C	S	.	.	H	α-helix	trans	-70.7	-36.1	174.8	-76	177.8	0	0	0	112.1	F91 F121 L147 A164 V165 C166 V202	F91-L162 HydrophobicContact CE2-CD1 3.52Å; F91-L162 HydrophobicContact CZ-CD1 3.42Å; F91-L162 VanDerWaalsContact CZ-CD1 3.42Å; F121-L162 HydrophobicContact CD1-CB 4.18Å; F121-L162 HydrophobicContact CD2-CB 3.84Å; F121-L162 HydrophobicContact CD2-CD1 3.77Å; F121-L162 HydrophobicContact CD2-CG 4.47Å; F121-L162 HydrophobicContact CE1-CB 4.06Å; F121-L162 HydrophobicContact CE2-CB 3.72Å; F121-L162 HydrophobicContact CE2-CD1 4.13Å; F121-L162 HydrophobicContact CG-CB 4.07Å; F121-L162 HydrophobicContact CG-CD1 4.4Å; F121-L162 HydrophobicContact CZ-CB 3.83Å; L147-L162 HydrophobicContact CD2-CB 4.09Å; L147-L162 HydrophobicContact CD2-CD1 3.4Å; L147-L162 VanDerWaalsContact CD2-CD1 3.4Å; L147-L162 HydrophobicContact CD2-CG 3.8Å; L162-A164 VanDerWaalsContact C-N 3.32Å; L162-A164 PolarHBondContact O-N 2.7Å; L162-V165 PolarHBondContact O-N 2.83Å; L162-C166 VanDerWaalsContact O-CB 3.24Å; L162-C166 WeakPolarHBondContact O-CB 3.38Å; L162-C166 PolarHBondContact O-N 3.48Å; L162-C166 PolarHBondContact O-SG 3.1Å; L162-V202 HydrophobicContact CD1-CG1 4.29Å; L162-V202 HydrophobicContact CD2-CG2 4.46Å
163	N	65.9	Low	58.2	Low	35 Å²	35	62.9 Å²	62.9	19%	0.187	32%	0.322	C	S	.	.	H	α-helix	trans	-58.9	-46.1	175.2	-164.3	36.4	0	0	0	111.1	F121 I150 G160 C166 E167	F121-N163 HydrophobicContact CE1-CB 3.93Å; F121-N163 HydrophobicContact CZ-CB 4.22Å; I150-N163 WeakPolarHBondContact CD1-ND2 3.32Å; I150-N163 VanDerWaalsContact CG1-ND2 3.28Å; I150-N163 WeakPolarHBondContact CG1-ND2 3.19Å; G160-N163 PolarHBondContact O-N 2.97Å; N163-C166 CarbonylContact O-C 3.57Å; N163-C166 PolarHBondContact O-N 2.86Å; N163-C166 VanDerWaalsContact O-N 3.15Å; N163-E167 WeakPolarHBondContact O-CG 3.08Å; N163-E167 PolarHBondContact O-N 3.15Å
164	A	65	Low	60.2	Low	5 Å²	5	60.1 Å²	60.1	4%	0.041	30%	0.304	C	S	.	.	H	α-helix	trans	-63.8	-42.9	177	0	0	0	0	0	112.8	G160 L162 C166 E167 V170 L245 T248	G160-A164 VanDerWaalsContact O-CB 3.24Å; G160-A164 WeakPolarHBondContact O-CB 3.03Å; G160-A164 PolarHBondContact O-N 3.26Å; L162-A164 VanDerWaalsContact C-N 3.32Å; L162-A164 PolarHBondContact O-N 2.7Å; A164-C166 PolarHBondContact O-N 2.89Å; A164-E167 WeakPolarHBondContact O-CB 3.19Å; A164-E167 PolarHBondContact O-N 2.95Å; A164-V170 WeakPolarHBondContact O-CB 3.36Å; A164-V170 WeakPolarHBondContact O-CG2 3.07Å; A164-L245 HydrophobicContact CB-CD2 4.41Å; A164-T248 HydrophobicContact CB-CG2 3.63Å
165	V	68.7	Low	62	Low	29 Å²	29	56 Å²	56	18%	0.176	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-35.4	173.4	174.4	0	0	0	0	111.4	L114 M161 L162 E167 L245	L114-V165 HydrophobicContact CD1-CG1 3.78Å; L114-V165 HydrophobicContact CD2-CG1 4.21Å; M161-V165 VanDerWaalsContact O-CG2 3.28Å; M161-V165 WeakPolarHBondContact O-CG2 3.37Å; M161-V165 PolarHBondContact O-N 3.17Å; M161-V165 VanDerWaalsContact O-N 3.07Å; L162-V165 PolarHBondContact O-N 2.83Å; V165-E167 VanDerWaalsContact C-N 3.31Å; V165-L245 HydrophobicContact CB-CD2 4.3Å; V165-L245 HydrophobicContact CG2-CD2 3.34Å
166	C	69.4	Low	64.1	Low	19 Å²	19	52.3 Å²	52.3	13%	0.128	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-2.8	-179.7	-67.3	0	0	0	0	114.2	C118 L162 N163 A164	C118-C166 WeakPolarHBondContact CA-SG 3.27Å; C118-C166 HydrophobicContact CB-CB 3.71Å; C118-C166 WeakPolarHBondContact CB-SG 3.37Å; C118-C166 WeakPolarHBondContact SG-CA 3.43Å; C118-C166 WeakPolarHBondContact SG-CB 3.38Å; C118-C166 CovalentContact SG-SG 2.04Å; C118-C166 PolarHBondContact SG-SG 2.9Å; L162-C166 VanDerWaalsContact O-CB 3.24Å; L162-C166 WeakPolarHBondContact O-CB 3.38Å; L162-C166 PolarHBondContact O-N 3.48Å; L162-C166 PolarHBondContact O-SG 3.1Å; N163-C166 CarbonylContact O-C 3.57Å; N163-C166 PolarHBondContact O-N 2.86Å; N163-C166 VanDerWaalsContact O-N 3.15Å; A164-C166 PolarHBondContact O-N 2.89Å
167	E	73.2	Confident	66.5	Low	71 Å²	71	48.6 Å²	48.6	33%	0.332	25%	0.254	S	S	.	.	S	Bend	trans	-65.1	140.3	170.3	-67.9	175.9	119.3	0	0	110.3	N163 A164 V165 D169 V170 A171 K244	N163-E167 WeakPolarHBondContact O-CG 3.08Å; N163-E167 PolarHBondContact O-N 3.15Å; A164-E167 WeakPolarHBondContact O-CB 3.19Å; A164-E167 PolarHBondContact O-N 2.95Å; V165-E167 VanDerWaalsContact C-N 3.31Å; E167-D169 VanDerWaalsContact C-N 3.3Å; E167-D169 WeakPolarHBondContact CB-OD1 2.94Å; E167-D169 PolarHBondContact O-N 3.45Å; E167-V170 HydrophobicContact CB-CG2 4.29Å; E167-V170 PolarHBondContact O-N 3.1Å; E167-A171 WeakPolarHBondContact O-CB 3.34Å; E167-A171 PolarHBondContact O-N 3.14Å; E167-K244 IonicContact OE1-NZ 3.12Å; E167-K244 PolarHBondContact OE1-NZ 3.15Å; E167-K244 VanDerWaalsContact OE1-NZ 3.09Å; E167-K244 WeakPolarHBondContact OE2-CE 3.25Å; E167-K244 IonicContact OE2-NZ 3.71Å; E167-K244 PolarHBondContact OE2-NZ 2.93Å
168	R	74.1	Confident	68.3	Low	220 Å²	220	46.2 Å²	46.2	83%	0.83	24%	0.236	S	C	*	.	H	α-helix	trans	-61.6	-38.5	-168.9	-168.7	178.5	-175.4	169	2.1	112.7	T172	R168-T172 WeakPolarHBondContact O-CB 3.45Å; R168-T172 PolarHBondContact O-N 3.43Å; R168-T172 PolarHBondContact O-OG1 3.06Å
169	D	75.4	Confident	70.1	Confident	71 Å²	71	49.5 Å²	49.5	38%	0.38	25%	0.251	S	S	.	.	H	α-helix	trans	-64.2	-50.7	176.4	56.4	-30.2	0	0	0	111.4	E167 T172 A173 K244	E167-D169 VanDerWaalsContact C-N 3.3Å; E167-D169 WeakPolarHBondContact CB-OD1 2.94Å; E167-D169 PolarHBondContact O-N 3.45Å; D169-T172 PolarHBondContact O-N 2.95Å; D169-A173 WeakPolarHBondContact O-CB 3.5Å; D169-A173 PolarHBondContact O-N 3.28Å; D169-K244 IonicContact OD1-NZ 2.92Å; D169-K244 PolarHBondContact OD1-NZ 2.7Å; D169-K244 IonicContact OD2-NZ 3.25Å; D169-K244 PolarHBondContact OD2-NZ 3.37Å
170	V	75.5	Confident	71.9	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-62.7	-50.1	179.4	-179.8	0	0	0	0	110.9	A164 E167 T172 A173 L174 A241 K244 L245	A164-V170 WeakPolarHBondContact O-CB 3.36Å; A164-V170 WeakPolarHBondContact O-CG2 3.07Å; E167-V170 HydrophobicContact CB-CG2 4.29Å; E167-V170 PolarHBondContact O-N 3.1Å; V170-T172 VanDerWaalsContact C-N 3.31Å; V170-T172 PolarHBondContact O-N 2.97Å; V170-A173 PolarHBondContact O-N 3.23Å; V170-L174 HydrophobicContact CG1-CD1 3.88Å; V170-L174 HydrophobicContact CG1-CG 4.32Å; V170-L174 VanDerWaalsContact O-CB 3.31Å; V170-L174 WeakPolarHBondContact O-CB 3.08Å; V170-L174 WeakPolarHBondContact O-CG 3.18Å; V170-L174 PolarHBondContact O-N 3.38Å; V170-A241 HydrophobicContact CG1-CB 4.29Å; V170-K244 HydrophobicContact CG2-CD 3.59Å; V170-L245 HydrophobicContact CG1-CD1 4.07Å; V170-L245 HydrophobicContact CG1-CD2 4.11Å; V170-L245 HydrophobicContact CG1-CG 4.02Å
171	A	73.5	Confident	72.8	Confident	26 Å²	26	51.7 Å²	51.7	22%	0.215	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-39.1	179.7	0	0	0	0	0	112.3	L114 E167 H175	L114-A171 HydrophobicContact CD2-CB 4.31Å; E167-A171 WeakPolarHBondContact O-CB 3.34Å; E167-A171 PolarHBondContact O-N 3.14Å; A171-H175 VanDerWaalsContact O-CB 3.32Å; A171-H175 WeakPolarHBondContact O-CB 3.36Å; A171-H175 PolarHBondContact O-N 2.88Å
172	T	78.2	Confident	73.7	Confident	69 Å²	69	51.1 Å²	51.1	42%	0.423	26%	0.261	S	S	.	.	H	α-helix	trans	-69.4	-45.1	178.3	-57.3	0	0	0	0	111.3	R168 D169 V170 L174 H175 L176	R168-T172 WeakPolarHBondContact O-CB 3.45Å; R168-T172 PolarHBondContact O-N 3.43Å; R168-T172 PolarHBondContact O-OG1 3.06Å; D169-T172 PolarHBondContact O-N 2.95Å; V170-T172 VanDerWaalsContact C-N 3.31Å; V170-T172 PolarHBondContact O-N 2.97Å; T172-L174 VanDerWaalsContact C-N 3.34Å; T172-L174 PolarHBondContact O-N 2.87Å; T172-H175 WeakPolarHBondContact O-CB 3.31Å; T172-H175 PolarHBondContact O-N 3.33Å; T172-L176 HydrophobicContact CG2-CD1 3.96Å; T172-L176 HydrophobicContact CG2-CG 4.37Å; T172-L176 WeakPolarHBondContact O-CG 3.44Å; T172-L176 PolarHBondContact O-N 2.61Å
173	A	80.6	Confident	74.4	Confident	8 Å²	8	52.9 Å²	52.9	7%	0.066	28%	0.275	C	S	.	.	H	α-helix	trans	-62	-43.1	178.2	0	0	0	0	0	111.8	D169 V170 N177 D237 A241	D169-A173 WeakPolarHBondContact O-CB 3.5Å; D169-A173 PolarHBondContact O-N 3.28Å; V170-A173 PolarHBondContact O-N 3.23Å; A173-N177 WeakPolarHBondContact O-CB 3.31Å; A173-N177 PolarHBondContact O-N 2.95Å; A173-N177 VanDerWaalsContact O-N 3.09Å; A173-N177 PolarHBondContact O-ND2 2.94Å; A173-D237 HydrophobicContact CB-CB 4.22Å; A173-D237 WeakPolarHBondContact CB-O 3.09Å; A173-A241 HydrophobicContact CB-CB 3.62Å
174	L	74.4	Confident	74.7	Confident	11 Å²	11	53.1 Å²	53.1	6%	0.058	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-42.6	174	-75.1	177.5	0	0	0	111.9	W111 V170 T172 G178 L181 L238 L242 L245	W111-L174 HydrophobicContact CE3-CB 4.45Å; W111-L174 HydrophobicContact CH2-CB 3.48Å; W111-L174 VanDerWaalsContact CH2-CB 3.48Å; W111-L174 HydrophobicContact CH2-CD1 4.36Å; W111-L174 HydrophobicContact CH2-CD2 4.4Å; W111-L174 HydrophobicContact CH2-CG 4.31Å; W111-L174 HydrophobicContact CZ2-CB 4.14Å; W111-L174 WeakPolarHBondContact CZ2-O 3.32Å; W111-L174 HydrophobicContact CZ3-CB 3.62Å; W111-L174 HydrophobicContact CZ3-CD1 4.2Å; W111-L174 HydrophobicContact CZ3-CG 4.49Å; V170-L174 HydrophobicContact CG1-CD1 3.88Å; V170-L174 HydrophobicContact CG1-CG 4.32Å; V170-L174 VanDerWaalsContact O-CB 3.31Å; V170-L174 WeakPolarHBondContact O-CB 3.08Å; V170-L174 WeakPolarHBondContact O-CG 3.18Å; V170-L174 PolarHBondContact O-N 3.38Å; T172-L174 VanDerWaalsContact C-N 3.34Å; T172-L174 PolarHBondContact O-N 2.87Å; L174-G178 WeakPolarHBondContact O-CA 3.43Å; L174-G178 PolarHBondContact O-N 2.94Å; L174-L181 HydrophobicContact CD2-CD2 4.07Å; L174-L238 HydrophobicContact CD2-CD1 4.02Å; L174-L242 HydrophobicContact CD2-CD2 4.4Å; L174-L245 HydrophobicContact CD1-CD1 4.23Å; L174-L245 HydrophobicContact CD2-CD1 4.5Å
175	H	75.1	Confident	75	Confident	104 Å²	104	53.4 Å²	53.4	48%	0.481	28%	0.276	S	S	.	.	H	α-helix	trans	-61.6	-53.2	177.5	-179.9	64.5	0	0	0	112.6	W111 A171 T172 N177 G178	W111-H175 WeakPolarHBondContact CB-ND1 3.21Å; W111-H175 AromaticContact CD1-CE1 3.97Å; W111-H175 AromaticContact CD1-ND1 3.15Å; W111-H175 HydrophobicContact CD2-CB 4.28Å; W111-H175 HydrophobicContact CG-CB 4.16Å; W111-H175 AromaticContact CG-ND1 3.21Å; A171-H175 VanDerWaalsContact O-CB 3.32Å; A171-H175 WeakPolarHBondContact O-CB 3.36Å; A171-H175 PolarHBondContact O-N 2.88Å; T172-H175 WeakPolarHBondContact O-CB 3.31Å; T172-H175 PolarHBondContact O-N 3.33Å; H175-N177 VanDerWaalsContact C-N 3.29Å; H175-N177 PolarHBondContact O-N 3.37Å; H175-G178 PolarHBondContact O-N 2.99Å
176	L	79.7	Confident	75	Confident	122 Å²	122	56.8 Å²	56.8	64%	0.639	29%	0.286	S	S	*	.	H	α-helix	trans	-64.3	-34.7	-177.2	-68.4	174.5	0	0	0	112.2	T172	T172-L176 HydrophobicContact CG2-CD1 3.96Å; T172-L176 HydrophobicContact CG2-CG 4.37Å; T172-L176 WeakPolarHBondContact O-CG 3.44Å; T172-L176 PolarHBondContact O-N 2.61Å
177	N	81.2	Confident	75.1	Confident	33 Å²	33	62.1 Å²	62.1	18%	0.176	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	13.3	-176.4	-63.2	-86.3	0	0	0	114	A173 H175 Q179 C180 L181 L238	A173-N177 WeakPolarHBondContact O-CB 3.31Å; A173-N177 PolarHBondContact O-N 2.95Å; A173-N177 VanDerWaalsContact O-N 3.09Å; A173-N177 PolarHBondContact O-ND2 2.94Å; H175-N177 VanDerWaalsContact C-N 3.29Å; H175-N177 PolarHBondContact O-N 3.37Å; N177-Q179 PolarHBondContact O-N 3.36Å; N177-Q179 VanDerWaalsContact O-N 3.12Å; N177-C180 WeakPolarHBondContact O-CA 3.49Å; N177-C180 WeakPolarHBondContact O-CB 3.45Å; N177-C180 PolarHBondContact O-N 3.11Å; N177-L181 PolarHBondContact O-N 3.39Å; N177-L238 HydrophobicContact CB-CB 3.88Å; N177-L238 HydrophobicContact CB-CD1 4.03Å; N177-L238 HydrophobicContact CB-CD2 3.84Å; N177-L238 HydrophobicContact CB-CG 4.1Å
178	G	74	Confident	74.9	Confident	15 Å²	15	59.9 Å²	59.9	16%	0.155	30%	0.304	C	S	.	.	H	α-helix	trans	-57.2	-32.1	-175	0	0	0	0	0	114.1	L174 H175 S182	L174-G178 WeakPolarHBondContact O-CA 3.43Å; L174-G178 PolarHBondContact O-N 2.94Å; H175-G178 PolarHBondContact O-N 2.99Å; G178-S182 WeakPolarHBondContact O-CB 3.38Å; G178-S182 PolarHBondContact O-N 3.31Å; G178-S182 PolarHBondContact O-OG 3.37Å
179	Q	76	Confident	74.5	Confident	160 Å²	160	54.7 Å²	54.7	75%	0.748	30%	0.301	S	S	*	.	H	α-helix	trans	-64.5	-44.8	173.9	-66.4	-173.2	1.4	0	0	111.8	N177 S182 S183	N177-Q179 PolarHBondContact O-N 3.36Å; N177-Q179 VanDerWaalsContact O-N 3.12Å; Q179-S182 PolarHBondContact O-N 3.17Å; Q179-S182 PolarHBondContact O-OG 3.15Å; Q179-S183 PolarHBondContact O-N 3.17Å; Q179-S183 VanDerWaalsContact O-N 3.09Å
180	C	80	Confident	73.9	Confident	30 Å²	30	58.6 Å²	58.6	20%	0.203	31%	0.311	C	S	.	.	H	α-helix	trans	-62.1	-48	176.8	-158.1	0	0	0	0	110.5	N177 S182 S183 M184 C234	N177-C180 WeakPolarHBondContact O-CA 3.49Å; N177-C180 WeakPolarHBondContact O-CB 3.45Å; N177-C180 PolarHBondContact O-N 3.11Å; C180-S182 VanDerWaalsContact C-N 3.34Å; C180-S182 PolarHBondContact O-N 2.04Å; C180-S183 WeakPolarHBondContact O-CB 3.46Å; C180-S183 PolarHBondContact O-N 3.47Å; C180-M184 WeakPolarHBondContact O-CG 3.18Å; C180-M184 PolarHBondContact O-N 3.47Å; C180-C234 HydrophobicContact CB-CB 4.05Å; C180-C234 WeakPolarHBondContact CB-SG 3.47Å; C180-C234 WeakPolarHBondContact SG-CA 3.12Å; C180-C234 WeakPolarHBondContact SG-CB 3.05Å; C180-C234 CovalentContact SG-SG 2.04Å; C180-C234 PolarHBondContact SG-SG 3.04Å
181	L	74.5	Confident	73.4	Confident	23 Å²	23	59 Å²	59	12%	0.12	31%	0.314	C	S	.	.	H	α-helix	trans	-56.5	-45.8	177.3	-174.4	67.2	0	0	0	112.1	L174 N177 S183 M184 L185 L242	L174-L181 HydrophobicContact CD2-CD2 4.07Å; N177-L181 PolarHBondContact O-N 3.39Å; L181-S183 VanDerWaalsContact C-N 3.29Å; L181-S183 PolarHBondContact O-N 2.79Å; L181-M184 PolarHBondContact O-N 3.36Å; L181-L185 HydrophobicContact CG-CD1 4.11Å; L181-L185 WeakPolarHBondContact O-CB 3.41Å; L181-L185 WeakPolarHBondContact O-CG 3.28Å; L181-L185 PolarHBondContact O-N 2.91Å; L181-L242 HydrophobicContact CD1-CD1 4.3Å; L181-L242 HydrophobicContact CD1-CD2 4.34Å
182	S	73.4	Confident	73	Confident	7 Å²	7	61 Å²	61	5%	0.049	33%	0.327	C	S	.	.	H	α-helix	trans	-64.3	-32.9	177.6	75	0	0	0	0	112.9	G178 Q179 C180 R186	G178-S182 WeakPolarHBondContact O-CB 3.38Å; G178-S182 PolarHBondContact O-N 3.31Å; G178-S182 PolarHBondContact O-OG 3.37Å; Q179-S182 PolarHBondContact O-N 3.17Å; Q179-S182 PolarHBondContact O-OG 3.15Å; C180-S182 VanDerWaalsContact C-N 3.34Å; C180-S182 PolarHBondContact O-N 2.04Å; S182-R186 VanDerWaalsContact C-NH2 3.31Å; S182-R186 WeakPolarHBondContact O-CG 3.35Å; S182-R186 PolarHBondContact O-N 3.17Å; S182-R186 PolarHBondContact O-NE 3.06Å; S182-R186 PolarHBondContact O-NH2 3.15Å; S182-R186 PolarHBondContact OG-NH2 2.88Å
183	S	75.4	Confident	72.3	Confident	51 Å²	51	63.4 Å²	63.4	36%	0.357	33%	0.333	S	S	.	.	H	α-helix	trans	-69.7	-42.7	175.1	-163.9	0	0	0	0	111.5	Q179 C180 L181 R186 N187	Q179-S183 PolarHBondContact O-N 3.17Å; Q179-S183 VanDerWaalsContact O-N 3.09Å; C180-S183 WeakPolarHBondContact O-CB 3.46Å; C180-S183 PolarHBondContact O-N 3.47Å; L181-S183 VanDerWaalsContact C-N 3.29Å; L181-S183 PolarHBondContact O-N 2.79Å; S183-R186 PolarHBondContact O-N 2.89Å; S183-N187 PolarHBondContact O-N 2.82Å
184	M	72	Confident	71.6	Confident	40 Å²	40	63.6 Å²	63.6	20%	0.197	33%	0.334	C	S	.	.	H	α-helix	trans	-65.3	-45.7	177.7	-67.2	-55.6	139.7	0	0	111.7	C180 L181 R186 N187	C180-M184 WeakPolarHBondContact O-CG 3.18Å; C180-M184 PolarHBondContact O-N 3.47Å; L181-M184 PolarHBondContact O-N 3.36Å; M184-R186 PolarHBondContact O-N 2.81Å; M184-N187 PolarHBondContact O-N 2.89Å
185	L	69.6	Low	71.1	Confident	12 Å²	12	63.4 Å²	63.4	6%	0.063	33%	0.333	C	S	.	.	H	α-helix	trans	-60.4	-30.7	176.6	-72.1	169.5	0	0	0	112.4	L104 L105 L181 N187 A191 V195 L229	L104-L185 HydrophobicContact CD2-CD1 3.73Å; L104-L185 HydrophobicContact CG-CD1 4.32Å; L105-L185 HydrophobicContact CD2-CB 3.56Å; L181-L185 HydrophobicContact CG-CD1 4.11Å; L181-L185 WeakPolarHBondContact O-CB 3.41Å; L181-L185 WeakPolarHBondContact O-CG 3.28Å; L181-L185 PolarHBondContact O-N 2.91Å; L185-N187 VanDerWaalsContact C-N 3.34Å; L185-A191 WeakPolarHBondContact O-CB 3.46Å; L185-V195 HydrophobicContact CD1-CG2 4.26Å; L185-V195 HydrophobicContact CD2-CG2 4.02Å; L185-L229 HydrophobicContact CD2-CD2 4.02Å
186	R	70.5	Confident	70.5	Confident	99 Å²	99	59.1 Å²	59.1	37%	0.374	32%	0.317	S	S	.	.	H	α-helix	trans	-68.6	-29.4	174.9	-84.4	-175.6	-79.3	-100.3	-18.2	114	L105 S182 S183 M184 V188	L105-R186 HydrophobicContact CB-CG 4.4Å; L105-R186 HydrophobicContact CD2-CG 4.07Å; L105-R186 PolarHBondContact O-NH1 3.38Å; S182-R186 VanDerWaalsContact C-NH2 3.31Å; S182-R186 WeakPolarHBondContact O-CG 3.35Å; S182-R186 PolarHBondContact O-N 3.17Å; S182-R186 PolarHBondContact O-NE 3.06Å; S182-R186 PolarHBondContact O-NH2 3.15Å; S182-R186 PolarHBondContact OG-NH2 2.88Å; S183-R186 PolarHBondContact O-N 2.89Å; M184-R186 PolarHBondContact O-N 2.81Å; R186-V188 VanDerWaalsContact C-N 3.32Å
187	N	70	Confident	69.3	Low	131 Å²	131	53.4 Å²	53.4	70%	0.701	29%	0.287	S	S	*	.	H	α-helix	trans	-82.6	-10	-177.4	-74.9	-3.8	0	0	0	113.1	S183 M184 L185	S183-N187 PolarHBondContact O-N 2.82Å; M184-N187 PolarHBondContact O-N 2.89Å; L185-N187 VanDerWaalsContact C-N 3.34Å
188	V	68.9	Low	68.1	Low	24 Å²	24	56.1 Å²	56.1	15%	0.145	30%	0.301	C	S	.	.			trans	-83.8	124.4	178.7	-179.5	0	0	0	0	110	R186 W190 A191 L229	R186-V188 VanDerWaalsContact C-N 3.32Å; V188-W190 PolarHBondContact O-N 2.78Å; V188-A191 HydrophobicContact CB-CB 4.27Å; V188-A191 VanDerWaalsContact O-CB 3.31Å; V188-A191 WeakPolarHBondContact O-CB 3.33Å; V188-A191 PolarHBondContact O-N 3.14Å; V188-A191 VanDerWaalsContact O-N 3.12Å; V188-L229 HydrophobicContact CG2-CD2 3.87Å
189	S	66.1	Low	67.5	Low	111 Å²	111	56 Å²	56	78%	0.776	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-26.6	179.6	54.1	0	0	0	0	114
190	W	63.4	Low	66.6	Low	154 Å²	154	49.8 Å²	49.8	58%	0.583	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	25.7	177.4	-62.3	-13.4	0	0	0	113.4	V188 S192 Q193 C194	V188-W190 PolarHBondContact O-N 2.78Å; W190-S192 PolarHBondContact O-N 3.29Å; W190-S192 VanDerWaalsContact O-N 3.15Å; W190-Q193 PolarHBondContact O-N 3.12Å; W190-Q193 VanDerWaalsContact O-N 3.1Å; W190-C194 WeakPolarHBondContact O-CB 3.31Å; W190-C194 PolarHBondContact O-N 3.31Å
191	A	64.4	Low	65.2	Low	8 Å²	8	48.7 Å²	48.7	7%	0.066	26%	0.261	C	S	.	.	H	α-helix	trans	-51.3	-39.4	-179.5	0	0	0	0	0	113.7	L185 V188 C194 V195	L185-A191 WeakPolarHBondContact O-CB 3.46Å; V188-A191 HydrophobicContact CB-CB 4.27Å; V188-A191 VanDerWaalsContact O-CB 3.31Å; V188-A191 WeakPolarHBondContact O-CB 3.33Å; V188-A191 PolarHBondContact O-N 3.14Å; V188-A191 VanDerWaalsContact O-N 3.12Å; A191-C194 WeakPolarHBondContact O-CB 3.46Å; A191-C194 PolarHBondContact O-N 2.93Å; A191-V195 VanDerWaalsContact O-CB 3.31Å; A191-V195 WeakPolarHBondContact O-CB 3.33Å; A191-V195 WeakPolarHBondContact O-CG2 3.39Å; A191-V195 PolarHBondContact O-N 3.23Å
192	S	65.8	Low	64.1	Low	69 Å²	69	48.2 Å²	48.2	48%	0.483	26%	0.259	S	S	.	.	H	α-helix	trans	-67	-42.5	179.4	57.6	0	0	0	0	113.3	V101 W190 G196	V101-S192 WeakPolarHBondContact CG2-O 3.25Å; W190-S192 PolarHBondContact O-N 3.29Å; W190-S192 VanDerWaalsContact O-N 3.15Å; S192-G196 WeakPolarHBondContact O-CA 3.27Å; S192-G196 PolarHBondContact O-N 3.3Å
193	Q	64.2	Low	63.1	Low	119 Å²	119	52.3 Å²	52.3	56%	0.556	27%	0.273	S	S	*	.	H	α-helix	trans	-68	-41.9	175.3	-63.7	178.7	8.5	0	0	110.4	W190 G196 T197	W190-Q193 PolarHBondContact O-N 3.12Å; W190-Q193 VanDerWaalsContact O-N 3.1Å; Q193-G196 PolarHBondContact O-N 3.14Å; Q193-T197 WeakPolarHBondContact O-CB 3.14Å; Q193-T197 PolarHBondContact O-N 3.22Å; Q193-T197 PolarHBondContact O-OG1 3.46Å
194	C	64.1	Low	61.8	Low	13 Å²	13	50.7 Å²	50.7	9%	0.088	26%	0.261	C	S	.	.	H	α-helix	trans	-58.3	-57	176.4	171.5	0	0	0	0	113.7	W190 A191 G196 T197 L198 C225	W190-C194 WeakPolarHBondContact O-CB 3.31Å; W190-C194 PolarHBondContact O-N 3.31Å; A191-C194 WeakPolarHBondContact O-CB 3.46Å; A191-C194 PolarHBondContact O-N 2.93Å; C194-G196 VanDerWaalsContact C-N 3.3Å; C194-T197 WeakPolarHBondContact O-CB 3.5Å; C194-T197 PolarHBondContact O-N 2.88Å; C194-L198 PolarHBondContact O-N 2.04Å; C194-L198 VanDerWaalsContact O-N 3.15Å; C194-C225 HydrophobicContact CB-CB 3.32Å; C194-C225 WeakPolarHBondContact CB-SG 2.94Å; C194-C225 WeakPolarHBondContact SG-CB 3.43Å; C194-C225 CovalentContact SG-SG 1.96Å; C194-C225 PolarHBondContact SG-SG 2.89Å
195	V	64.2	Low	60.7	Low	6 Å²	6	49.2 Å²	49.2	4%	0.036	25%	0.254	C	S	.	.	H	α-helix	trans	-66.5	-40	-179.6	170.9	0	0	0	0	109.7	V101 L104 L185 A191 T197 L198 L199	V101-V195 HydrophobicContact CB-CG1 4.36Å; V101-V195 HydrophobicContact CG1-CB 4.31Å; V101-V195 HydrophobicContact CG1-CG1 4.47Å; V101-V195 HydrophobicContact CG2-CB 4.12Å; V101-V195 HydrophobicContact CG2-CG1 4Å; L104-V195 HydrophobicContact CB-CG1 4.28Å; L104-V195 HydrophobicContact CD2-CB 4.03Å; L104-V195 HydrophobicContact CD2-CG1 3.32Å; L104-V195 HydrophobicContact CD2-CG2 3.47Å; L104-V195 VanDerWaalsContact CD2-CG2 3.47Å; L104-V195 HydrophobicContact CG-CG1 4.42Å; L185-V195 HydrophobicContact CD1-CG2 4.26Å; L185-V195 HydrophobicContact CD2-CG2 4.02Å; A191-V195 VanDerWaalsContact O-CB 3.31Å; A191-V195 WeakPolarHBondContact O-CB 3.33Å; A191-V195 WeakPolarHBondContact O-CG2 3.39Å; A191-V195 PolarHBondContact O-N 3.23Å; V195-T197 VanDerWaalsContact C-N 3.26Å; V195-T197 PolarHBondContact O-N 3.5Å; V195-L198 PolarHBondContact O-N 2.89Å; V195-L199 HydrophobicContact CG1-CD1 4.12Å; V195-L199 WeakPolarHBondContact O-CG 3.36Å; V195-L199 PolarHBondContact O-N 3.4Å
196	G	62.2	Low	59.8	Low	14 Å²	14	50.7 Å²	50.7	14%	0.144	26%	0.26	C	S	.	.	H	α-helix	trans	-54.6	-43.8	172.8	0	0	0	0	0	111.4	S192 Q193 C194 L199 D200	S192-G196 WeakPolarHBondContact O-CA 3.27Å; S192-G196 PolarHBondContact O-N 3.3Å; Q193-G196 PolarHBondContact O-N 3.14Å; C194-G196 VanDerWaalsContact C-N 3.3Å; G196-L199 CarbonylContact O-C 3.02Å; G196-L199 PolarHBondContact O-N 2.9Å; G196-D200 WeakPolarHBondContact O-CA 3.22Å; G196-D200 WeakPolarHBondContact O-CB 3.31Å; G196-D200 PolarHBondContact O-N 3.21Å
197	T	55.9	Low	58.4	Low	2 Å²	2	53.2 Å²	53.2	1%	0.012	27%	0.271	C	S	.	.	H	α-helix	trans	-65.6	-39.7	177.1	-68.2	0	0	0	0	113.5	Q193 C194 V195 L199 D200 F201 R218 D221 M222	Q193-T197 WeakPolarHBondContact O-CB 3.14Å; Q193-T197 PolarHBondContact O-N 3.22Å; Q193-T197 PolarHBondContact O-OG1 3.46Å; C194-T197 WeakPolarHBondContact O-CB 3.5Å; C194-T197 PolarHBondContact O-N 2.88Å; V195-T197 VanDerWaalsContact C-N 3.26Å; V195-T197 PolarHBondContact O-N 3.5Å; T197-L199 VanDerWaalsContact C-N 3.32Å; T197-D200 CarbonylContact O-C 3.58Å; T197-D200 PolarHBondContact O-N 1.96Å; T197-F201 PolarHBondContact O-N 3.36Å; T197-R218 HydrophobicContact CG2-CB 4.2Å; T197-R218 WeakPolarHBondContact CG2-O 3.22Å; T197-D221 HydrophobicContact CG2-CB 4.3Å; T197-M222 HydrophobicContact CG2-CB 3.56Å; T197-M222 HydrophobicContact CG2-CG 4.22Å
198	L	56.2	Low	57	Low	90 Å²	90	53.9 Å²	53.9	47%	0.471	27%	0.274	S	S	.	.	H	α-helix	trans	-65.4	-39.2	176.5	-167.9	138.3	0	0	0	111.2	C194 V195 V202	C194-L198 PolarHBondContact O-N 2.04Å; C194-L198 VanDerWaalsContact O-N 3.15Å; V195-L198 PolarHBondContact O-N 2.89Å; L198-V202 WeakPolarHBondContact O-CG2 3.24Å
199	L	60.5	Low	55.7	Low	12 Å²	12	59 Å²	59	6%	0.063	31%	0.307	C	S	.	.	H	α-helix	trans	-69.2	-39.2	172.2	-64.9	173.4	0	0	0	112	F99 V195 G196 T197 F201 V202 R203	F99-L199 HydrophobicContact CB-CD1 3.83Å; F99-L199 HydrophobicContact CB-CD2 3.43Å; F99-L199 VanDerWaalsContact CB-CD2 3.43Å; F99-L199 HydrophobicContact CB-CG 4.28Å; F99-L199 HydrophobicContact CD2-CD2 3.81Å; F99-L199 HydrophobicContact CG-CD2 3.96Å; F99-L199 VanDerWaalsContact O-CD1 3.23Å; F99-L199 WeakPolarHBondContact O-CD1 3.01Å; V195-L199 HydrophobicContact CG1-CD1 4.12Å; V195-L199 WeakPolarHBondContact O-CG 3.36Å; V195-L199 PolarHBondContact O-N 3.4Å; G196-L199 CarbonylContact O-C 3.02Å; G196-L199 PolarHBondContact O-N 2.9Å; T197-L199 VanDerWaalsContact C-N 3.32Å; L199-F201 VanDerWaalsContact C-N 3.34Å; L199-V202 PolarHBondContact O-N 3.15Å; L199-R203 WeakPolarHBondContact O-CG 3.27Å; L199-R203 PolarHBondContact O-N 3.44Å
200	D	56.3	Low	54.9	Low	30 Å²	30	56.1 Å²	56.1	16%	0.16	28%	0.283	C	S	.	.	H	α-helix	trans	-67.5	-34.3	178.7	-72.9	-21.6	0	0	0	110.7	G196 T197 V202 R203 I204 R218	G196-D200 WeakPolarHBondContact O-CA 3.22Å; G196-D200 WeakPolarHBondContact O-CB 3.31Å; G196-D200 PolarHBondContact O-N 3.21Å; T197-D200 CarbonylContact O-C 3.58Å; T197-D200 PolarHBondContact O-N 1.96Å; D200-V202 PolarHBondContact O-N 2.8Å; D200-R203 CarbonylContact O-C 3.58Å; D200-R203 WeakPolarHBondContact O-CA 3.39Å; D200-R203 PolarHBondContact O-N 3.05Å; D200-R203 IonicContact OD1-NH1 2.84Å; D200-I204 HydrophobicContact CB-CD1 4.4Å; D200-I204 WeakPolarHBondContact O-CA 3.36Å; D200-I204 WeakPolarHBondContact O-CB 3.48Å; D200-I204 WeakPolarHBondContact O-CD1 2.99Å; D200-I204 WeakPolarHBondContact O-CG1 3.47Å; D200-I204 PolarHBondContact O-N 2.88Å; D200-R218 IonicContact OD2-CZ 2.9Å; D200-R218 IonicContact OD2-NE 2.95Å; D200-R218 IonicContact OD2-NH1 3.12Å; D200-R218 PolarHBondContact OD2-NH1 2.66Å; D200-R218 IonicContact OD2-NH2 3.68Å; D200-R218 PolarHBondContact OD2-NH2 3.39Å
201	F	52.2	Low	54.5	Low	8 Å²	8	54.4 Å²	54.4	4%	0.035	29%	0.285	C	S	.	.	H	α-helix	trans	-57	-39.6	172.9	-177	-95.6	0	0	0	110.8	A146 L147 M161 T197 L199 I204 V205 I219 L256	A146-F201 HydrophobicContact CB-CE2 4.46Å; A146-F201 HydrophobicContact CB-CZ 3.85Å; L147-F201 HydrophobicContact CD2-CE1 4.48Å; M161-F201 HydrophobicContact CB-CD1 4.39Å; M161-F201 HydrophobicContact CB-CE1 3.68Å; M161-F201 HydrophobicContact CB-CZ 4.16Å; M161-F201 HydrophobicContact CE-CB 4.44Å; M161-F201 HydrophobicContact CE-CD1 3.6Å; M161-F201 HydrophobicContact CE-CD2 4.35Å; M161-F201 HydrophobicContact CE-CE1 3.87Å; M161-F201 HydrophobicContact CE-CG 3.86Å; M161-F201 HydrophobicContact CE-CZ 4.35Å; M161-F201 HydrophobicContact CG-CE1 4.04Å; M161-F201 HydrophobicContact CG-CZ 4.1Å; M161-F201 HydrophobicContact SD-CD1 3.74Å; M161-F201 HydrophobicContact SD-CD2 3.91Å; M161-F201 HydrophobicContact SD-CE1 3.43Å; M161-F201 WeakPolarHBondContact SD-CE1 2.96Å; M161-F201 HydrophobicContact SD-CE2 3.6Å; M161-F201 HydrophobicContact SD-CG 3.97Å; M161-F201 HydrophobicContact SD-CZ 3.35Å; M161-F201 WeakPolarHBondContact SD-CZ 3.01Å; T197-F201 PolarHBondContact O-N 3.36Å; L199-F201 VanDerWaalsContact C-N 3.34Å; F201-I204 PolarHBondContact O-N 3.31Å; F201-V205 WeakPolarHBondContact O-CG2 3.48Å; F201-I219 HydrophobicContact CD2-CD1 4.48Å; F201-I219 HydrophobicContact CD2-CG1 4.05Å; F201-I219 HydrophobicContact CE2-CD1 4.12Å; F201-I219 HydrophobicContact CE2-CG1 4.15Å; F201-L256 HydrophobicContact CE2-CD1 4.38Å
202	V	50	Low	53.9	Low	13 Å²	13	58.6 Å²	58.6	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-76.2	-28.7	176.8	-159.8	0	0	0	0	112.8	F91 L96 L162 L198 L199 D200 H206	F91-V202 HydrophobicContact CE1-CG1 3.5Å; F91-V202 HydrophobicContact CZ-CG1 3.38Å; L96-V202 HydrophobicContact CD1-CB 3.57Å; L96-V202 HydrophobicContact CD1-CG1 3.03Å; L96-V202 HydrophobicContact CD1-CG2 4.48Å; L96-V202 HydrophobicContact CG-CG1 4.41Å; L162-V202 HydrophobicContact CD1-CG1 4.29Å; L162-V202 HydrophobicContact CD2-CG2 4.46Å; L198-V202 WeakPolarHBondContact O-CG2 3.24Å; L199-V202 PolarHBondContact O-N 3.15Å; D200-V202 PolarHBondContact O-N 2.8Å; V202-H206 PolarHBondContact O-ND1 3.43Å
203	R	52.6	Low	53.6	Low	92 Å²	92	57.2 Å²	57.2	35%	0.347	30%	0.303	S	S	.	.	H	α-helix	trans	-80.5	-22.1	171.7	-64.6	170.5	178.3	-178.9	-1.4	113.8	L199 D200 V205 H206 Y207	L199-R203 WeakPolarHBondContact O-CG 3.27Å; L199-R203 PolarHBondContact O-N 3.44Å; D200-R203 CarbonylContact O-C 3.58Å; D200-R203 WeakPolarHBondContact O-CA 3.39Å; D200-R203 PolarHBondContact O-N 3.05Å; D200-R203 IonicContact OD1-NH1 2.84Å; R203-V205 PolarHBondContact O-N 2.86Å; R203-H206 VanDerWaalsContact O-CA 3.31Å; R203-H206 WeakPolarHBondContact O-CA 3.21Å; R203-H206 WeakPolarHBondContact O-CB 3.4Å; R203-H206 PolarHBondContact O-N 3.38Å; R203-Y207 PolarHBondContact O-N 2.87Å; R203-Y207 VanDerWaalsContact O-N 3.14Å
204	I	48.3	Very low	53.5	Low	18 Å²	18	57.9 Å²	57.9	9%	0.092	31%	0.306	C	S	.	.	H	α-helix	trans	-68.1	-33.5	178.2	-84.9	159.4	0	0	0	108.7	F142 D200 F201 H206 I210 V215 R218	F142-I204 HydrophobicContact CE1-CG2 4.09Å; D200-I204 HydrophobicContact CB-CD1 4.4Å; D200-I204 WeakPolarHBondContact O-CA 3.36Å; D200-I204 WeakPolarHBondContact O-CB 3.48Å; D200-I204 WeakPolarHBondContact O-CD1 2.99Å; D200-I204 WeakPolarHBondContact O-CG1 3.47Å; D200-I204 PolarHBondContact O-N 2.88Å; F201-I204 PolarHBondContact O-N 3.31Å; I204-H206 PolarHBondContact O-N 2.87Å; I204-I210 HydrophobicContact CB-CD1 4.12Å; I204-I210 HydrophobicContact CG1-CD1 3.8Å; I204-I210 HydrophobicContact CG2-CD1 4.15Å; I204-V215 HydrophobicContact CB-CG2 4.4Å; I204-V215 HydrophobicContact CD1-CB 4.42Å; I204-V215 HydrophobicContact CD1-CG1 3.99Å; I204-V215 HydrophobicContact CD1-CG2 4.27Å; I204-V215 HydrophobicContact CG1-CG2 4.16Å; I204-V215 HydrophobicContact CG2-CB 4.07Å; I204-V215 HydrophobicContact CG2-CG1 3.67Å; I204-V215 HydrophobicContact CG2-CG2 3.37Å; I204-R218 HydrophobicContact CD1-CB 3.75Å; I204-R218 HydrophobicContact CD1-CG 3.93Å
205	V	49.4	Very low	53.3	Low	8 Å²	8	57.3 Å²	57.3	5%	0.048	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.7	168.2	-159.9	0	0	0	0	111.8	F83 F87 L147 F201 R203	F83-V205 HydrophobicContact CE2-CG1 4.37Å; F83-V205 HydrophobicContact CZ-CG1 4.1Å; F87-V205 HydrophobicContact CD2-CG1 4.03Å; F87-V205 HydrophobicContact CE2-CB 3.77Å; F87-V205 HydrophobicContact CE2-CG1 3.36Å; F87-V205 VanDerWaalsContact CZ-C 3.42Å; F87-V205 HydrophobicContact CZ-CB 4.12Å; F87-V205 HydrophobicContact CZ-CG1 4.12Å; F87-V205 VanDerWaalsContact CZ-O 3.28Å; F87-V205 WeakPolarHBondContact CZ-O 3.36Å; L147-V205 HydrophobicContact CD1-CB 4.45Å; L147-V205 HydrophobicContact CD1-CG1 3.82Å; L147-V205 HydrophobicContact CD1-CG2 4.08Å; L147-V205 HydrophobicContact CD2-CG2 4.48Å; L147-V205 HydrophobicContact CG-CG2 4.17Å; F201-V205 WeakPolarHBondContact O-CG2 3.48Å; R203-V205 PolarHBondContact O-N 2.86Å
206	H	50.1	Low	53.3	Low	44 Å²	44	57.4 Å²	57.4	20%	0.204	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-39.3	-179.7	-91.1	62.5	0	0	0	114.5	F87 F91 Y92 V202 R203 I204	F87-H206 VanDerWaalsContact CE1-CA 3.47Å; F87-H206 HydrophobicContact CE1-CB 3.96Å; F87-H206 AromaticContact CE1-CD2 3.87Å; F87-H206 AromaticContact CE1-CE1 3.67Å; F87-H206 AromaticContact CE1-CG 3.46Å; F87-H206 VanDerWaalsContact CE1-CG 3.46Å; F87-H206 AromaticContact CE1-ND1 3.41Å; F87-H206 WeakPolarHBondContact CE1-ND1 3.15Å; F87-H206 AromaticContact CE1-NE2 3.98Å; F87-H206 HydrophobicContact CZ-CB 3.95Å; F87-H206 AromaticContact CZ-CE1 3.57Å; F87-H206 AromaticContact CZ-CG 3.5Å; F87-H206 AromaticContact CZ-ND1 3.05Å; F87-H206 WeakPolarHBondContact CZ-ND1 3.43Å; F91-H206 AromaticContact CD1-CE1 3.79Å; Y92-H206 AromaticContact CD2-CD2 3.48Å; Y92-H206 VanDerWaalsContact CD2-CD2 3.48Å; Y92-H206 WeakPolarHBondContact CD2-CD2 3.24Å; Y92-H206 AromaticContact CD2-NE2 3.37Å; Y92-H206 WeakPolarHBondContact CD2-NE2 3.13Å; Y92-H206 AromaticContact CE2-CD2 3.87Å; Y92-H206 AromaticContact CG-NE2 3.99Å; V202-H206 PolarHBondContact O-ND1 3.43Å; R203-H206 VanDerWaalsContact O-CA 3.31Å; R203-H206 WeakPolarHBondContact O-CA 3.21Å; R203-H206 WeakPolarHBondContact O-CB 3.4Å; R203-H206 PolarHBondContact O-N 3.38Å; I204-H206 PolarHBondContact O-N 2.87Å
207	Y	41.7	Very low	53.7	Low	152 Å²	152	60.8 Å²	60.8	60%	0.596	32%	0.315	S	S	*	.	S	Bend	trans	-107.6	115.7	-168	-79.8	-87.2	0	0	0	110.5	R203 I210	R203-Y207 PolarHBondContact O-N 2.87Å; R203-Y207 VanDerWaalsContact O-N 3.14Å; Y207-I210 WeakPolarHBondContact O-CG1 3.42Å
208	L	40.6	Very low	54.2	Low	145 Å²	145	65.4 Å²	65.4	76%	0.759	33%	0.332	S	S	*	.	S	Bend	trans	28.2	132.3	139.2	-68.6	165.2	0	0	0	116.6	I210	L208-I210 VanDerWaalsContact C-N 3.28Å; L208-I210 WeakPolarHBondContact O-CG1 3.43Å; L208-I210 PolarHBondContact O-N 3.45Å
209	P	41.4	Very low	54.6	Low	132 Å²	132	61.2 Å²	61.2	86%	0.857	31%	0.31	S	S	*	.			trans	-37.2	89.7	-164.4	25.2	-37.3	0	0	0	112	N211	P209-N211 PolarHBondContact O-N 3.48Å
210	I	48.9	Very low	55	Low	49 Å²	49	63.5 Å²	63.5	25%	0.251	32%	0.318	S	S	.	.			trans	-72.3	131.1	176.3	-61.5	174.2	0	0	0	103.8	I204 Y207 L208 D212 H214 V215	I204-I210 HydrophobicContact CB-CD1 4.12Å; I204-I210 HydrophobicContact CG1-CD1 3.8Å; I204-I210 HydrophobicContact CG2-CD1 4.15Å; Y207-I210 WeakPolarHBondContact O-CG1 3.42Å; L208-I210 VanDerWaalsContact C-N 3.28Å; L208-I210 WeakPolarHBondContact O-CG1 3.43Å; L208-I210 PolarHBondContact O-N 3.45Å; I210-D212 PolarHBondContact O-N 3.27Å; I210-D212 VanDerWaalsContact O-N 3.15Å; I210-H214 HydrophobicContact CG2-CB 3.52Å; I210-V215 HydrophobicContact CB-CG2 3.73Å; I210-V215 HydrophobicContact CD1-CG2 4.26Å; I210-V215 HydrophobicContact CG2-CG2 3.5Å
211	N	54.8	Low	55.6	Low	118 Å²	118	64.8 Å²	64.8	63%	0.631	33%	0.325	S	S	*	.			trans	-50.6	126	172.5	-176.2	-9.4	0	0	0	108.5	P209 G213 H214	P209-N211 PolarHBondContact O-N 3.48Å; N211-G213 PolarHBondContact O-N 2.6Å; N211-G213 PolarHBondContact OD1-N 2.78Å; N211-H214 PolarHBondContact O-N 3.1Å
212	D	52.5	Low	56.2	Low	96 Å²	96	64.6 Å²	64.6	51%	0.513	32%	0.324	S	S	.	.	H	α-helix	trans	-44.3	-36.3	-177.3	-58.1	-17.1	0	0	0	111.8	F142 I210 H214 V215 C216	F142-D212 HydrophobicContact CE2-CB 4.44Å; I210-D212 PolarHBondContact O-N 3.27Å; I210-D212 VanDerWaalsContact O-N 3.15Å; D212-H214 PolarHBondContact O-N 2.87Å; D212-V215 PolarHBondContact O-N 3.19Å; D212-C216 VanDerWaalsContact O-CB 3.27Å; D212-C216 WeakPolarHBondContact O-CB 3.28Å; D212-C216 PolarHBondContact O-N 3.12Å; D212-C216 PolarHBondContact O-SG 3.35Å
213	G	58.8	Low	56.9	Low	40 Å²	40	65.2 Å²	65.2	41%	0.412	33%	0.326	S	S	.	.	H	α-helix	trans	-58.1	-41.1	176.3	0	0	0	0	0	115.4	N211 Q217	N211-G213 PolarHBondContact O-N 2.6Å; N211-G213 PolarHBondContact OD1-N 2.78Å; G213-Q217 PolarHBondContact O-N 3.44Å
214	H	63	Low	57.8	Low	133 Å²	133	63.5 Å²	63.5	62%	0.616	33%	0.328	S	S	*	.	H	α-helix	trans	-70.1	-42.2	-179.7	-91	-89.7	0	0	0	111.8	I210 N211 D212 Q217 R218	I210-H214 HydrophobicContact CG2-CB 3.52Å; N211-H214 PolarHBondContact O-N 3.1Å; D212-H214 PolarHBondContact O-N 2.87Å; H214-Q217 PolarHBondContact O-N 3.35Å; H214-R218 PolarHBondContact O-N 2.99Å; H214-R218 VanDerWaalsContact O-N 3.14Å
215	V	60.3	Low	58.8	Low	1 Å²	1	63 Å²	63	1%	0.006	33%	0.326	C	S	.	.	H	α-helix	trans	-66.8	-44.1	176.6	176.9	0	0	0	0	110.5	F142 I204 I210 D212 Q217 R218 I219	F142-V215 HydrophobicContact CD1-CG2 4.15Å; F142-V215 HydrophobicContact CE1-CB 3.45Å; F142-V215 VanDerWaalsContact CE1-CB 3.45Å; F142-V215 HydrophobicContact CE1-CG1 3.4Å; F142-V215 VanDerWaalsContact CE1-CG1 3.4Å; F142-V215 HydrophobicContact CE1-CG2 3.39Å; F142-V215 HydrophobicContact CZ-CB 3.41Å; F142-V215 VanDerWaalsContact CZ-CB 3.41Å; F142-V215 HydrophobicContact CZ-CG1 3.42Å; F142-V215 VanDerWaalsContact CZ-CG1 3.42Å; F142-V215 HydrophobicContact CZ-CG2 3.84Å; I204-V215 HydrophobicContact CB-CG2 4.4Å; I204-V215 HydrophobicContact CD1-CB 4.42Å; I204-V215 HydrophobicContact CD1-CG1 3.99Å; I204-V215 HydrophobicContact CD1-CG2 4.27Å; I204-V215 HydrophobicContact CG1-CG2 4.16Å; I204-V215 HydrophobicContact CG2-CB 4.07Å; I204-V215 HydrophobicContact CG2-CG1 3.67Å; I204-V215 HydrophobicContact CG2-CG2 3.37Å; I210-V215 HydrophobicContact CB-CG2 3.73Å; I210-V215 HydrophobicContact CD1-CG2 4.26Å; I210-V215 HydrophobicContact CG2-CG2 3.5Å; D212-V215 PolarHBondContact O-N 3.19Å; V215-Q217 PolarHBondContact O-N 3.05Å; V215-R218 CarbonylContact O-C 3.56Å; V215-R218 WeakPolarHBondContact O-CA 3.37Å; V215-R218 WeakPolarHBondContact O-CB 3.3Å; V215-R218 PolarHBondContact O-N 3.39Å; V215-I219 HydrophobicContact CG1-CD1 3.85Å; V215-I219 HydrophobicContact CG1-CG1 4.15Å; V215-I219 PolarHBondContact O-N 2.77Å
216	C	63.8	Low	59.6	Low	8 Å²	8	64.1 Å²	64.1	5%	0.054	33%	0.331	C	S	.	.	H	α-helix	trans	-61	-33.7	178.1	-72.9	0	0	0	0	112.8	D212 R220 C257	D212-C216 VanDerWaalsContact O-CB 3.27Å; D212-C216 WeakPolarHBondContact O-CB 3.28Å; D212-C216 PolarHBondContact O-N 3.12Å; D212-C216 PolarHBondContact O-SG 3.35Å; C216-R220 WeakPolarHBondContact O-CG 3.1Å; C216-R220 PolarHBondContact O-N 3.05Å; C216-R220 VanDerWaalsContact O-N 3.1Å; C216-R220 PolarHBondContact O-NH1 2.91Å; C216-C257 WeakPolarHBondContact CA-SG 3.39Å; C216-C257 HydrophobicContact CB-CB 3.67Å; C216-C257 WeakPolarHBondContact CB-SG 3.38Å; C216-C257 WeakPolarHBondContact SG-CA 3.43Å; C216-C257 WeakPolarHBondContact SG-CB 3.27Å; C216-C257 CovalentContact SG-SG 2.03Å; C216-C257 PolarHBondContact SG-SG 3.49Å
217	Q	69.3	Low	60.5	Low	86 Å²	86	65.5 Å²	65.5	40%	0.402	35%	0.346	S	S	.	.	H	α-helix	trans	-62.7	-45.8	170.9	-171.5	56.8	37.6	0	0	111.5	G213 H214 V215 I219 R220 D221	G213-Q217 PolarHBondContact O-N 3.44Å; H214-Q217 PolarHBondContact O-N 3.35Å; V215-Q217 PolarHBondContact O-N 3.05Å; Q217-I219 PolarHBondContact O-N 2.85Å; Q217-R220 WeakPolarHBondContact O-CB 3.49Å; Q217-R220 PolarHBondContact O-N 3.41Å; Q217-D221 PolarHBondContact NE2-OD1 3.3Å; Q217-D221 PolarHBondContact O-N 3.2Å
218	R	67.6	Low	61.9	Low	99 Å²	99	61.9 Å²	61.9	37%	0.374	34%	0.34	S	S	.	.	H	α-helix	trans	-60.8	-44.2	176.4	-67	-58	-172.5	136.6	7.4	112.3	T197 D200 I204 H214 V215 R220 D221 M222	T197-R218 HydrophobicContact CG2-CB 4.2Å; T197-R218 WeakPolarHBondContact CG2-O 3.22Å; D200-R218 IonicContact OD2-CZ 2.9Å; D200-R218 IonicContact OD2-NE 2.95Å; D200-R218 IonicContact OD2-NH1 3.12Å; D200-R218 PolarHBondContact OD2-NH1 2.66Å; D200-R218 IonicContact OD2-NH2 3.68Å; D200-R218 PolarHBondContact OD2-NH2 3.39Å; I204-R218 HydrophobicContact CD1-CB 3.75Å; I204-R218 HydrophobicContact CD1-CG 3.93Å; H214-R218 PolarHBondContact O-N 2.99Å; H214-R218 VanDerWaalsContact O-N 3.14Å; V215-R218 CarbonylContact O-C 3.56Å; V215-R218 WeakPolarHBondContact O-CA 3.37Å; V215-R218 WeakPolarHBondContact O-CB 3.3Å; V215-R218 PolarHBondContact O-N 3.39Å; R218-R220 VanDerWaalsContact C-N 3.3Å; R218-R220 PolarHBondContact O-N 2.86Å; R218-D221 WeakPolarHBondContact O-CB 3.05Å; R218-D221 PolarHBondContact O-N 2.69Å; R218-D221 VanDerWaalsContact O-N 3.13Å; R218-M222 PolarHBondContact O-N 2.89Å
219	I	63.5	Low	63.2	Low	2 Å²	2	56.2 Å²	56.2	1%	0.01	31%	0.31	C	S	.	.	H	α-helix	trans	-60.8	-41.2	177.4	-61.5	168.3	0	0	0	111.2	F201 V215 Q217 M222 H223 E253 L256	F201-I219 HydrophobicContact CD2-CD1 4.48Å; F201-I219 HydrophobicContact CD2-CG1 4.05Å; F201-I219 HydrophobicContact CE2-CD1 4.12Å; F201-I219 HydrophobicContact CE2-CG1 4.15Å; V215-I219 HydrophobicContact CG1-CD1 3.85Å; V215-I219 HydrophobicContact CG1-CG1 4.15Å; V215-I219 PolarHBondContact O-N 2.77Å; Q217-I219 PolarHBondContact O-N 2.85Å; I219-M222 VanDerWaalsContact O-CB 3.25Å; I219-M222 WeakPolarHBondContact O-CB 3.33Å; I219-M222 PolarHBondContact O-N 3.45Å; I219-H223 PolarHBondContact O-N 3.36Å; I219-H223 VanDerWaalsContact O-N 3.1Å; I219-E253 HydrophobicContact CB-CG 4.26Å; I219-E253 HydrophobicContact CG2-CB 3.47Å; I219-E253 VanDerWaalsContact CG2-CB 3.47Å; I219-E253 HydrophobicContact CG2-CG 3.6Å; I219-L256 HydrophobicContact CD1-CB 4.2Å; I219-L256 HydrophobicContact CD1-CD1 3.4Å; I219-L256 VanDerWaalsContact CD1-CD1 3.4Å; I219-L256 HydrophobicContact CD1-CG 4.45Å
220	R	69.3	Low	64.7	Low	59 Å²	59	54.8 Å²	54.8	22%	0.223	30%	0.295	C	S	.	.	H	α-helix	trans	-60.3	-44.9	172.6	-75.3	-173.1	-68.3	-86.8	3.1	112.7	C216 Q217 R218 M222 H223 S224 E253 Y260	C216-R220 WeakPolarHBondContact O-CG 3.1Å; C216-R220 PolarHBondContact O-N 3.05Å; C216-R220 VanDerWaalsContact O-N 3.1Å; C216-R220 PolarHBondContact O-NH1 2.91Å; Q217-R220 WeakPolarHBondContact O-CB 3.49Å; Q217-R220 PolarHBondContact O-N 3.41Å; R218-R220 VanDerWaalsContact C-N 3.3Å; R218-R220 PolarHBondContact O-N 2.86Å; R220-M222 PolarHBondContact O-N 3.03Å; R220-H223 PolarHBondContact O-N 2.95Å; R220-S224 PolarHBondContact O-N 2.98Å; R220-E253 WeakPolarHBondContact CG-OE1 3.47Å; R220-Y260 WeakPolarHBondContact CD-OH 3.34Å; R220-Y260 HydrophobicContact CG-CE2 4.11Å
221	D	69.7	Low	65.6	Low	57 Å²	57	54.4 Å²	54.4	31%	0.305	29%	0.294	S	S	.	.	H	α-helix	trans	-59.9	-35.3	177.5	-58.6	-23.3	0	0	0	110.4	T197 Q217 R218 C225	T197-D221 HydrophobicContact CG2-CB 4.3Å; Q217-D221 PolarHBondContact NE2-OD1 3.3Å; Q217-D221 PolarHBondContact O-N 3.2Å; R218-D221 WeakPolarHBondContact O-CB 3.05Å; R218-D221 PolarHBondContact O-N 2.69Å; R218-D221 VanDerWaalsContact O-N 3.13Å; D221-C225 PolarHBondContact O-N 2.89Å
222	M	64.9	Low	66.5	Low	5 Å²	5	53.2 Å²	53.2	3%	0.025	30%	0.295	C	S	.	.	H	α-helix	trans	-65	-47.3	176.3	-162.2	-178.1	71.2	0	0	111.4	M161 T197 R218 I219 R220 C225 I226	M161-M222 HydrophobicContact CE-CE 3.5Å; M161-M222 HydrophobicContact CE-SD 3.41Å; M161-M222 WeakPolarHBondContact CE-SD 3.02Å; M161-M222 HydrophobicContact SD-CE 3.81Å; M161-M222 HydrophobicContact SD-SD 4.36Å; T197-M222 HydrophobicContact CG2-CB 3.56Å; T197-M222 HydrophobicContact CG2-CG 4.22Å; R218-M222 PolarHBondContact O-N 2.89Å; I219-M222 VanDerWaalsContact O-CB 3.25Å; I219-M222 WeakPolarHBondContact O-CB 3.33Å; I219-M222 PolarHBondContact O-N 3.45Å; R220-M222 PolarHBondContact O-N 3.03Å; M222-C225 WeakPolarHBondContact O-CB 2.81Å; M222-C225 PolarHBondContact O-N 3.49Å; M222-I226 HydrophobicContact CE-CD1 4.1Å; M222-I226 HydrophobicContact CG-CD1 4.1Å; M222-I226 WeakPolarHBondContact O-CG1 3.37Å; M222-I226 PolarHBondContact O-N 2.93Å
223	H	64.3	Low	67.6	Low	25 Å²	25	51.4 Å²	51.4	12%	0.116	30%	0.299	C	S	.	.	H	α-helix	trans	-63.3	-46	178.1	-74.9	-176.1	0	0	0	112	I219 R220 C225 I226 S227 G249 L250 E253	I219-H223 PolarHBondContact O-N 3.36Å; I219-H223 VanDerWaalsContact O-N 3.1Å; R220-H223 PolarHBondContact O-N 2.95Å; H223-C225 PolarHBondContact O-N 3.08Å; H223-I226 PolarHBondContact O-N 3.04Å; H223-I226 VanDerWaalsContact O-N 3.1Å; H223-S227 PolarHBondContact O-N 3.23Å; H223-S227 PolarHBondContact O-OG 3.26Å; H223-S227 VanDerWaalsContact O-OG 3.13Å; H223-G249 PolarHBondContact CE1-O 3.13Å; H223-G249 PolarHBondContact NE2-O 3.2Å; H223-L250 WeakPolarHBondContact CE1-CA 3.35Å; H223-L250 VanDerWaalsContact CE1-CD2 3.45Å; H223-L250 WeakPolarHBondContact CE1-CD2 3.48Å; H223-L250 WeakPolarHBondContact ND1-CD2 3.47Å; H223-L250 PolarHBondContact NE2-N 2.83Å; H223-E253 IonicContact CE1-OE2 3.98Å; H223-E253 PolarHBondContact CE1-OE2 3.49Å; H223-E253 IonicContact ND1-OE2 2.77Å; H223-E253 PolarHBondContact ND1-OE2 3.42Å; H223-E253 VanDerWaalsContact ND1-OE2 3.12Å
224	S	71	Confident	68.7	Low	56 Å²	56	50.1 Å²	50.1	39%	0.392	28%	0.283	S	S	.	.	H	α-helix	trans	-56	-36.3	175.7	-173.8	0	0	0	0	110.3	R220 S227 T228	R220-S224 PolarHBondContact O-N 2.98Å; S224-S227 PolarHBondContact O-OG 3.07Å; S224-T228 VanDerWaalsContact O-CG2 3.27Å; S224-T228 WeakPolarHBondContact O-CG2 3.4Å
225	C	69.5	Low	69.5	Low	7 Å²	7	45.5 Å²	45.5	5%	0.047	27%	0.272	C	S	.	.	H	α-helix	trans	-68	-54.5	172	176.7	0	0	0	0	112.9	C194 D221 M222 H223 S227 T228	C194-C225 HydrophobicContact CB-CB 3.32Å; C194-C225 WeakPolarHBondContact CB-SG 2.94Å; C194-C225 WeakPolarHBondContact SG-CB 3.43Å; C194-C225 CovalentContact SG-SG 1.96Å; C194-C225 PolarHBondContact SG-SG 2.89Å; D221-C225 PolarHBondContact O-N 2.89Å; M222-C225 WeakPolarHBondContact O-CB 2.81Å; M222-C225 PolarHBondContact O-N 3.49Å; H223-C225 PolarHBondContact O-N 3.08Å; C225-S227 PolarHBondContact O-N 3.05Å; C225-S227 VanDerWaalsContact O-N 3.1Å; C225-T228 PolarHBondContact O-N 3.33Å; C225-T228 PolarHBondContact O-OG1 2.8Å
226	I	65.9	Low	70.6	Confident	32 Å²	32	53.2 Å²	53.2	16%	0.164	31%	0.308	C	S	.	.	H	α-helix	trans	-57	-33.3	-174.7	-66.5	167.6	0	0	0	110.6	M222 H223 T228 L229 K246	M222-I226 HydrophobicContact CE-CD1 4.1Å; M222-I226 HydrophobicContact CG-CD1 4.1Å; M222-I226 WeakPolarHBondContact O-CG1 3.37Å; M222-I226 PolarHBondContact O-N 2.93Å; H223-I226 PolarHBondContact O-N 3.04Å; H223-I226 VanDerWaalsContact O-N 3.1Å; I226-T228 VanDerWaalsContact C-N 3.29Å; I226-T228 PolarHBondContact O-N 2.73Å; I226-L229 PolarHBondContact O-N 3.24Å; I226-K246 HydrophobicContact CG2-CB 3.84Å; I226-K246 HydrophobicContact CG2-CD 4.01Å; I226-K246 HydrophobicContact CG2-CG 3.82Å
227	S	68.6	Low	71.5	Confident	73 Å²	73	58.2 Å²	58.2	51%	0.51	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.8	175.3	58.1	0	0	0	0	115.3	H223 S224 C225	H223-S227 PolarHBondContact O-N 3.23Å; H223-S227 PolarHBondContact O-OG 3.26Å; H223-S227 VanDerWaalsContact O-OG 3.13Å; S224-S227 PolarHBondContact O-OG 3.07Å; C225-S227 PolarHBondContact O-N 3.05Å; C225-S227 VanDerWaalsContact O-N 3.1Å
228	T	72	Confident	72	Confident	77 Å²	77	54.1 Å²	54.1	47%	0.472	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-8.7	178.3	60.6	0	0	0	0	113.6	S224 C225 I226 D230	S224-T228 VanDerWaalsContact O-CG2 3.27Å; S224-T228 WeakPolarHBondContact O-CG2 3.4Å; C225-T228 PolarHBondContact O-N 3.33Å; C225-T228 PolarHBondContact O-OG1 2.8Å; I226-T228 VanDerWaalsContact C-N 3.29Å; I226-T228 PolarHBondContact O-N 2.73Å; T228-D230 PolarHBondContact O-N 3.44Å
229	L	68.7	Low	72.6	Confident	25 Å²	25	52.9 Å²	52.9	13%	0.131	31%	0.313	C	S	.	.			trans	-74.9	113.2	177.6	-63.7	172.3	0	0	0	109.7	L185 V188 I226 L231	L185-L229 HydrophobicContact CD2-CD2 4.02Å; V188-L229 HydrophobicContact CG2-CD2 3.87Å; I226-L229 PolarHBondContact O-N 3.24Å; L229-L231 HydrophobicContact CB-CD2 4.01Å; L229-L231 PolarHBondContact O-N 3.38Å
230	D	71.6	Confident	73.3	Confident	102 Å²	102	58.9 Å²	58.9	55%	0.545	34%	0.339	S	S	.	.			trans	-77.5	116.5	166.8	-178.9	6.6	0	0	0	109.3	T228 S232	T228-D230 PolarHBondContact O-N 3.44Å; D230-S232 VanDerWaalsContact CG-OG 3.3Å; D230-S232 VanDerWaalsContact OD1-CB 3.28Å; D230-S232 WeakPolarHBondContact OD1-CB 3Å; D230-S232 PolarHBondContact OD1-N 3.02Å; D230-S232 PolarHBondContact OD1-OG 2.86Å; D230-S232 PolarHBondContact OD2-OG 3.39Å
231	L	68.1	Low	73.5	Confident	42 Å²	42	56.1 Å²	56.1	22%	0.22	33%	0.329	C	S	.	.			trans	-103	3.1	-175.6	-53.5	179.6	0	0	0	113.4	L229 G233 C234 Q239 L242	L229-L231 HydrophobicContact CB-CD2 4.01Å; L229-L231 PolarHBondContact O-N 3.38Å; L231-G233 PolarHBondContact O-N 3.5Å; L231-G233 VanDerWaalsContact O-N 3.17Å; L231-C234 PolarHBondContact O-N 2.93Å; L231-Q239 HydrophobicContact CB-CG 3.96Å; L231-Q239 PolarHBondContact O-NE2 3.49Å; L231-L242 HydrophobicContact CD1-CB 3.97Å; L231-L242 HydrophobicContact CD1-CD1 3.76Å; L231-L242 HydrophobicContact CD2-CD1 3.33Å; L231-L242 HydrophobicContact CG-CD1 4.19Å
232	S	74.7	Confident	73.7	Confident	93 Å²	93	54.2 Å²	54.2	65%	0.65	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-29.8	-175.9	58.4	0	0	0	0	113.6	D230	D230-S232 VanDerWaalsContact CG-OG 3.3Å; D230-S232 VanDerWaalsContact OD1-CB 3.28Å; D230-S232 WeakPolarHBondContact OD1-CB 3Å; D230-S232 PolarHBondContact OD1-N 3.02Å; D230-S232 PolarHBondContact OD1-OG 2.86Å; D230-S232 PolarHBondContact OD2-OG 3.39Å
233	G	75.6	Confident	74	Confident	58 Å²	58	56.3 Å²	56.3	60%	0.598	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-1.6	-179.3	0	0	0	0	0	116.3	L231	L231-G233 PolarHBondContact O-N 3.5Å; L231-G233 VanDerWaalsContact O-N 3.17Å
234	C	80.4	Confident	74.1	Confident	12 Å²	12	57.4 Å²	57.4	8%	0.081	34%	0.341	C	S	.	.	S	Bend	trans	-109.7	159.5	-179	-56.7	0	0	0	0	111.8	C180 L231 L238	C180-C234 HydrophobicContact CB-CB 4.05Å; C180-C234 WeakPolarHBondContact CB-SG 3.47Å; C180-C234 WeakPolarHBondContact SG-CA 3.12Å; C180-C234 WeakPolarHBondContact SG-CB 3.05Å; C180-C234 CovalentContact SG-SG 2.04Å; C180-C234 PolarHBondContact SG-SG 3.04Å; L231-C234 PolarHBondContact O-N 2.93Å; C234-L238 HydrophobicContact CB-CB 4.33Å; C234-L238 HydrophobicContact CB-CD2 3.49Å; C234-L238 VanDerWaalsContact CB-CD2 3.49Å; C234-L238 HydrophobicContact CB-CG 4.44Å
235	G	81	Confident	73.9	Confident	37 Å²	37	56.2 Å²	56.2	38%	0.381	33%	0.33	S	S	.	.			trans	-60	151.9	179.4	0	0	0	0	0	113.4	D237 L238 Q239	G235-D237 PolarHBondContact O-N 3.48Å; G235-L238 WeakPolarHBondContact O-CB 3.23Å; G235-L238 PolarHBondContact O-N 2.84Å; G235-Q239 PolarHBondContact O-N 2.85Å
236	E	83.6	Confident	73.8	Confident	163 Å²	163	60 Å²	60	76%	0.762	35%	0.346	S	S	*	.	H	α-helix	trans	-54.9	-36.7	-177.3	-63.9	-176.1	168.2	0	0	112.8	L238 Q239 F240	E236-L238 VanDerWaalsContact C-N 3.28Å; E236-L238 PolarHBondContact O-N 2.98Å; E236-Q239 WeakPolarHBondContact O-CB 3.09Å; E236-Q239 PolarHBondContact O-N 3.15Å; E236-Q239 VanDerWaalsContact O-N 3.08Å; E236-F240 PolarHBondContact O-N 3.41Å
237	D	81.9	Confident	73.6	Confident	112 Å²	112	63.4 Å²	63.4	60%	0.599	36%	0.364	S	S	*	.	H	α-helix	trans	-59	-37.9	176.9	-64.8	-30.3	0	0	0	112.6	A173 G235 A241	A173-D237 HydrophobicContact CB-CB 4.22Å; A173-D237 WeakPolarHBondContact CB-O 3.09Å; G235-D237 PolarHBondContact O-N 3.48Å; D237-A241 WeakPolarHBondContact O-CB 3.44Å; D237-A241 PolarHBondContact O-N 2.81Å
238	L	79.6	Confident	73.3	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-70.3	-38.6	176.7	-177.1	66.2	0	0	0	111	L174 N177 C234 G235 E236 F240 A241 L242	L174-L238 HydrophobicContact CD2-CD1 4.02Å; N177-L238 HydrophobicContact CB-CB 3.88Å; N177-L238 HydrophobicContact CB-CD1 4.03Å; N177-L238 HydrophobicContact CB-CD2 3.84Å; N177-L238 HydrophobicContact CB-CG 4.1Å; C234-L238 HydrophobicContact CB-CB 4.33Å; C234-L238 HydrophobicContact CB-CD2 3.49Å; C234-L238 VanDerWaalsContact CB-CD2 3.49Å; C234-L238 HydrophobicContact CB-CG 4.44Å; G235-L238 WeakPolarHBondContact O-CB 3.23Å; G235-L238 PolarHBondContact O-N 2.84Å; E236-L238 VanDerWaalsContact C-N 3.28Å; E236-L238 PolarHBondContact O-N 2.98Å; L238-F240 VanDerWaalsContact C-N 3.32Å; L238-F240 PolarHBondContact O-N 3.44Å; L238-A241 PolarHBondContact O-N 3.34Å; L238-L242 HydrophobicContact CD1-CD1 4Å; L238-L242 HydrophobicContact CD1-CG 4.03Å; L238-L242 HydrophobicContact CD2-CD1 4.13Å; L238-L242 HydrophobicContact CG-CD1 3.75Å; L238-L242 HydrophobicContact CG-CG 4.19Å; L238-L242 WeakPolarHBondContact O-CB 3.48Å; L238-L242 WeakPolarHBondContact O-CG 3.36Å; L238-L242 PolarHBondContact O-N 3.32Å
239	Q	79.9	Confident	72.7	Confident	73 Å²	73	56.7 Å²	56.7	34%	0.341	32%	0.32	S	S	.	.	H	α-helix	trans	-61.4	-45	177.6	-61.3	-177.5	-3	0	0	110.7	L231 G235 E236 L242 A243	L231-Q239 HydrophobicContact CB-CG 3.96Å; L231-Q239 PolarHBondContact O-NE2 3.49Å; G235-Q239 PolarHBondContact O-N 2.85Å; E236-Q239 WeakPolarHBondContact O-CB 3.09Å; E236-Q239 PolarHBondContact O-N 3.15Å; E236-Q239 VanDerWaalsContact O-N 3.08Å; Q239-L242 PolarHBondContact O-N 2.96Å; Q239-A243 VanDerWaalsContact O-CB 3.27Å; Q239-A243 WeakPolarHBondContact O-CB 3.18Å; Q239-A243 PolarHBondContact O-N 2.91Å
240	F	78.6	Confident	72.3	Confident	128 Å²	128	58.9 Å²	58.9	56%	0.561	33%	0.331	S	S	*	.	H	α-helix	trans	-61.2	-48.9	175.3	-179.8	-98.9	0	0	0	112	E236 L238 L242 A243 K244	E236-F240 PolarHBondContact O-N 3.41Å; L238-F240 VanDerWaalsContact C-N 3.32Å; L238-F240 PolarHBondContact O-N 3.44Å; F240-L242 PolarHBondContact O-N 3.26Å; F240-A243 PolarHBondContact O-N 2.9Å; F240-K244 PolarHBondContact O-N 2.54Å
241	A	74.4	Confident	71.7	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.008	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-43.2	179.3	0	0	0	0	0	112.4	V170 A173 D237 L238 K244 L245	V170-A241 HydrophobicContact CG1-CB 4.29Å; A173-A241 HydrophobicContact CB-CB 3.62Å; D237-A241 WeakPolarHBondContact O-CB 3.44Å; D237-A241 PolarHBondContact O-N 2.81Å; L238-A241 PolarHBondContact O-N 3.34Å; A241-K244 PolarHBondContact O-N 2.68Å; A241-L245 WeakPolarHBondContact O-CG 3.48Å; A241-L245 PolarHBondContact O-N 3.39Å
242	L	72.5	Confident	71.3	Confident	18 Å²	18	54.9 Å²	54.9	9%	0.094	31%	0.308	C	S	.	.	H	α-helix	trans	-70.8	-35.2	177.5	-70.7	174.2	0	0	0	112.6	L174 L181 L231 L238 Q239 F240 K244 L245 K246	L174-L242 HydrophobicContact CD2-CD2 4.4Å; L181-L242 HydrophobicContact CD1-CD1 4.3Å; L181-L242 HydrophobicContact CD1-CD2 4.34Å; L231-L242 HydrophobicContact CD1-CB 3.97Å; L231-L242 HydrophobicContact CD1-CD1 3.76Å; L231-L242 HydrophobicContact CD2-CD1 3.33Å; L231-L242 HydrophobicContact CG-CD1 4.19Å; L238-L242 HydrophobicContact CD1-CD1 4Å; L238-L242 HydrophobicContact CD1-CG 4.03Å; L238-L242 HydrophobicContact CD2-CD1 4.13Å; L238-L242 HydrophobicContact CG-CD1 3.75Å; L238-L242 HydrophobicContact CG-CG 4.19Å; L238-L242 WeakPolarHBondContact O-CB 3.48Å; L238-L242 WeakPolarHBondContact O-CG 3.36Å; L238-L242 PolarHBondContact O-N 3.32Å; Q239-L242 PolarHBondContact O-N 2.96Å; F240-L242 PolarHBondContact O-N 3.26Å; L242-K244 VanDerWaalsContact C-N 3.34Å; L242-L245 HydrophobicContact CD2-CD1 4.28Å; L242-L245 PolarHBondContact O-N 3.06Å; L242-K246 WeakPolarHBondContact O-CB 2.86Å; L242-K246 PolarHBondContact O-N 3.34Å
243	A	71.8	Confident	70.5	Confident	48 Å²	48	50.7 Å²	50.7	40%	0.397	28%	0.278	S	S	.	.	H	α-helix	trans	-62.4	-42.1	172.5	0	0	0	0	0	111.4	Q239 F240 K246 L247	Q239-A243 VanDerWaalsContact O-CB 3.27Å; Q239-A243 WeakPolarHBondContact O-CB 3.18Å; Q239-A243 PolarHBondContact O-N 2.91Å; F240-A243 PolarHBondContact O-N 2.9Å; A243-K246 WeakPolarHBondContact O-CB 3.4Å; A243-K246 PolarHBondContact O-N 2.85Å; A243-L247 WeakPolarHBondContact O-CG 3.26Å; A243-L247 PolarHBondContact O-N 2.7Å
244	K	67.2	Low	69.6	Low	49 Å²	49	51.4 Å²	51.4	21%	0.213	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-46.6	174.8	-160.1	179.6	-168.2	-171	0	111.5	E167 D169 V170 F240 A241 L242 K246 L247 T248	E167-K244 IonicContact OE1-NZ 3.12Å; E167-K244 PolarHBondContact OE1-NZ 3.15Å; E167-K244 VanDerWaalsContact OE1-NZ 3.09Å; E167-K244 WeakPolarHBondContact OE2-CE 3.25Å; E167-K244 IonicContact OE2-NZ 3.71Å; E167-K244 PolarHBondContact OE2-NZ 2.93Å; D169-K244 IonicContact OD1-NZ 2.92Å; D169-K244 PolarHBondContact OD1-NZ 2.7Å; D169-K244 IonicContact OD2-NZ 3.25Å; D169-K244 PolarHBondContact OD2-NZ 3.37Å; V170-K244 HydrophobicContact CG2-CD 3.59Å; F240-K244 PolarHBondContact O-N 2.54Å; A241-K244 PolarHBondContact O-N 2.68Å; L242-K244 VanDerWaalsContact C-N 3.34Å; K244-K246 VanDerWaalsContact C-N 3.33Å; K244-K246 PolarHBondContact O-N 3.31Å; K244-L247 PolarHBondContact O-N 2.74Å; K244-T248 VanDerWaalsContact O-CG2 3.32Å; K244-T248 WeakPolarHBondContact O-CG2 2.97Å; K244-T248 PolarHBondContact O-N 3.2Å; K244-T248 PolarHBondContact O-OG1 2.89Å
245	L	66.5	Low	68.4	Low	30 Å²	30	57 Å²	57	16%	0.157	29%	0.292	C	S	.	.	H	α-helix	trans	-60.8	-40.3	174.7	-70.9	175	0	0	0	112.6	A164 V165 V170 L174 A241 L242 T248 G249	A164-L245 HydrophobicContact CB-CD2 4.41Å; V165-L245 HydrophobicContact CB-CD2 4.3Å; V165-L245 HydrophobicContact CG2-CD2 3.34Å; V170-L245 HydrophobicContact CG1-CD1 4.07Å; V170-L245 HydrophobicContact CG1-CD2 4.11Å; V170-L245 HydrophobicContact CG1-CG 4.02Å; L174-L245 HydrophobicContact CD1-CD1 4.23Å; L174-L245 HydrophobicContact CD2-CD1 4.5Å; A241-L245 WeakPolarHBondContact O-CG 3.48Å; A241-L245 PolarHBondContact O-N 3.39Å; L242-L245 HydrophobicContact CD2-CD1 4.28Å; L242-L245 PolarHBondContact O-N 3.06Å; L245-T248 PolarHBondContact O-N 3.26Å; L245-T248 PolarHBondContact O-OG1 2.95Å; L245-G249 PolarHBondContact O-N 3.1Å
246	K	66.9	Low	67.2	Low	88 Å²	88	56.5 Å²	56.5	38%	0.383	28%	0.28	S	S	.	.	H	α-helix	trans	-61	-47.2	175.4	-171.3	179.9	-179.7	178.3	0	112	I226 L242 A243 K244 G249 L250	I226-K246 HydrophobicContact CG2-CB 3.84Å; I226-K246 HydrophobicContact CG2-CD 4.01Å; I226-K246 HydrophobicContact CG2-CG 3.82Å; L242-K246 WeakPolarHBondContact O-CB 2.86Å; L242-K246 PolarHBondContact O-N 3.34Å; A243-K246 WeakPolarHBondContact O-CB 3.4Å; A243-K246 PolarHBondContact O-N 2.85Å; K244-K246 VanDerWaalsContact C-N 3.33Å; K244-K246 PolarHBondContact O-N 3.31Å; K246-G249 PolarHBondContact O-N 3.02Å; K246-L250 HydrophobicContact CG-CD1 4.4Å; K246-L250 WeakPolarHBondContact O-CG 3.41Å; K246-L250 PolarHBondContact O-N 3.1Å
247	L	62.9	Low	66.2	Low	102 Å²	102	49.7 Å²	49.7	53%	0.534	25%	0.25	S	S	.	.	H	α-helix	trans	-62.9	-45.6	178.8	-72.5	171	0	0	0	111.8	A243 K244 G249 L250 Q251	A243-L247 WeakPolarHBondContact O-CG 3.26Å; A243-L247 PolarHBondContact O-N 2.7Å; K244-L247 PolarHBondContact O-N 2.74Å; L247-G249 VanDerWaalsContact C-N 3.33Å; L247-G249 PolarHBondContact O-N 2.93Å; L247-L250 WeakPolarHBondContact O-CB 3.28Å; L247-L250 PolarHBondContact O-N 2.91Å; L247-Q251 PolarHBondContact O-N 3.23Å
248	T	60.4	Low	64.9	Low	10 Å²	10	47.3 Å²	47.3	6%	0.061	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-37.7	177.5	61.5	0	0	0	0	112.5	A164 K244 L245 Q251 A252	A164-T248 HydrophobicContact CB-CG2 3.63Å; K244-T248 VanDerWaalsContact O-CG2 3.32Å; K244-T248 WeakPolarHBondContact O-CG2 2.97Å; K244-T248 PolarHBondContact O-N 3.2Å; K244-T248 PolarHBondContact O-OG1 2.89Å; L245-T248 PolarHBondContact O-N 3.26Å; L245-T248 PolarHBondContact O-OG1 2.95Å; T248-Q251 PolarHBondContact O-N 3.18Å; T248-A252 WeakPolarHBondContact O-CB 3.38Å; T248-A252 PolarHBondContact O-N 3.3Å
249	G	60.9	Low	63.3	Low	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.2	-40.8	172.7	0	0	0	0	0	112.6	H223 L245 K246 L247 Q251 E253	H223-G249 PolarHBondContact CE1-O 3.13Å; H223-G249 PolarHBondContact NE2-O 3.2Å; L245-G249 PolarHBondContact O-N 3.1Å; K246-G249 PolarHBondContact O-N 3.02Å; L247-G249 VanDerWaalsContact C-N 3.33Å; L247-G249 PolarHBondContact O-N 2.93Å; G249-Q251 VanDerWaalsContact C-N 3.35Å; G249-E253 PolarHBondContact O-N 3.1Å
250	L	60.5	Low	61.2	Low	71 Å²	71	58.4 Å²	58.4	37%	0.372	30%	0.297	S	S	.	.	H	α-helix	trans	-60.4	-46	175.8	-81.7	162	0	0	0	111.6	H223 K246 L247 E253 T254	H223-L250 WeakPolarHBondContact CE1-CA 3.35Å; H223-L250 VanDerWaalsContact CE1-CD2 3.45Å; H223-L250 WeakPolarHBondContact CE1-CD2 3.48Å; H223-L250 WeakPolarHBondContact ND1-CD2 3.47Å; H223-L250 PolarHBondContact NE2-N 2.83Å; K246-L250 HydrophobicContact CG-CD1 4.4Å; K246-L250 WeakPolarHBondContact O-CG 3.41Å; K246-L250 PolarHBondContact O-N 3.1Å; L247-L250 WeakPolarHBondContact O-CB 3.28Å; L247-L250 PolarHBondContact O-N 2.91Å; L250-E253 WeakPolarHBondContact O-CB 3.41Å; L250-E253 PolarHBondContact O-N 2.89Å; L250-T254 WeakPolarHBondContact O-CG2 3.45Å; L250-T254 PolarHBondContact O-N 3.33Å
251	Q	59.1	Low	58.8	Low	58 Å²	58	57.4 Å²	57.4	27%	0.271	30%	0.296	S	S	.	.	H	α-helix	trans	-72.2	-38.8	-177.2	-161.4	-171.5	-8.6	0	0	111.7	Q158 C159 L247 T248 G249 E253 T254 Y255	Q158-Q251 VanDerWaalsContact CB-OE1 3.22Å; Q158-Q251 PolarHBondContact O-NE2 3.17Å; Q158-Q251 PolarHBondContact O-OE1 3.39Å; C159-Q251 WeakPolarHBondContact SG-CB 3.48Å; C159-Q251 WeakPolarHBondContact SG-CG 3.43Å; C159-Q251 PolarHBondContact SG-OE1 2.95Å; C159-Q251 VanDerWaalsContact SG-OE1 3.35Å; L247-Q251 PolarHBondContact O-N 3.23Å; T248-Q251 PolarHBondContact O-N 3.18Å; G249-Q251 VanDerWaalsContact C-N 3.35Å; Q251-E253 VanDerWaalsContact C-N 3.27Å; Q251-E253 PolarHBondContact O-N 3.09Å; Q251-T254 WeakPolarHBondContact CA-OG1 3.47Å; Q251-T254 PolarHBondContact O-N 3.16Å; Q251-T254 VanDerWaalsContact O-N 3.16Å; Q251-T254 PolarHBondContact O-OG1 3.46Å; Q251-Y255 PolarHBondContact O-N 3.17Å
252	A	58.4	Low	56.6	Low	1 Å²	1	65.7 Å²	65.7	1%	0.008	34%	0.34	C	S	.	.	H	α-helix	trans	-57.5	-39.8	169.4	0	0	0	0	0	112	A146 M161 T248 L256	A146-A252 HydrophobicContact CB-CB 4.38Å; M161-A252 HydrophobicContact CG-CB 4.26Å; M161-A252 HydrophobicContact SD-CB 4.38Å; T248-A252 WeakPolarHBondContact O-CB 3.38Å; T248-A252 PolarHBondContact O-N 3.3Å; A252-L256 WeakPolarHBondContact O-CB 3.21Å; A252-L256 VanDerWaalsContact O-CG 3.31Å; A252-L256 WeakPolarHBondContact O-CG 3.4Å; A252-L256 PolarHBondContact O-N 3.35Å
253	E	58.9	Low	54.3	Low	5 Å²	5	66.9 Å²	66.9	2%	0.023	36%	0.356	C	S	.	.	H	α-helix	trans	-63.7	-47.9	173.2	-162.5	-169.2	178.4	0	0	112.2	I219 R220 H223 G249 L250 Q251 Y255 L256 C257 Y260	I219-E253 HydrophobicContact CB-CG 4.26Å; I219-E253 HydrophobicContact CG2-CB 3.47Å; I219-E253 VanDerWaalsContact CG2-CB 3.47Å; I219-E253 HydrophobicContact CG2-CG 3.6Å; R220-E253 WeakPolarHBondContact CG-OE1 3.47Å; H223-E253 IonicContact CE1-OE2 3.98Å; H223-E253 PolarHBondContact CE1-OE2 3.49Å; H223-E253 IonicContact ND1-OE2 2.77Å; H223-E253 PolarHBondContact ND1-OE2 3.42Å; H223-E253 VanDerWaalsContact ND1-OE2 3.12Å; G249-E253 PolarHBondContact O-N 3.1Å; L250-E253 WeakPolarHBondContact O-CB 3.41Å; L250-E253 PolarHBondContact O-N 2.89Å; Q251-E253 VanDerWaalsContact C-N 3.27Å; Q251-E253 PolarHBondContact O-N 3.09Å; E253-Y255 PolarHBondContact O-N 2.87Å; E253-L256 PolarHBondContact O-N 3.13Å; E253-C257 HydrophobicContact CG-CB 3.95Å; E253-C257 WeakPolarHBondContact O-CA 3.11Å; E253-C257 WeakPolarHBondContact O-CB 3.34Å; E253-C257 PolarHBondContact O-N 3.1Å; E253-Y260 WeakPolarHBondContact OE1-CD2 3.45Å; E253-Y260 WeakPolarHBondContact OE1-CE2 3.4Å
254	T	57.2	Low	52.1	Low	74 Å²	74	70.4 Å²	70.4	45%	0.454	38%	0.375	S	S	.	.	H	α-helix	trans	-58.6	-39.3	-179.7	57.6	0	0	0	0	111.8	L250 Q251 G258	L250-T254 WeakPolarHBondContact O-CG2 3.45Å; L250-T254 PolarHBondContact O-N 3.33Å; Q251-T254 WeakPolarHBondContact CA-OG1 3.47Å; Q251-T254 PolarHBondContact O-N 3.16Å; Q251-T254 VanDerWaalsContact O-N 3.16Å; Q251-T254 PolarHBondContact O-OG1 3.46Å; T254-G258 PolarHBondContact O-N 3.22Å
255	Y	53.9	Low	50.1	Low	130 Å²	130	74.2 Å²	74.2	51%	0.51	40%	0.402	S	S	.	.	H	α-helix	trans	-69.6	-46.3	178.4	-173.8	-85.5	0	0	0	112.3	S145 I149 Q251 E253	S145-Y255 VanDerWaalsContact OG-CE1 3.29Å; S145-Y255 WeakPolarHBondContact OG-CE1 3.02Å; I149-Y255 HydrophobicContact CD1-CD1 4.28Å; I149-Y255 HydrophobicContact CD1-CD2 3.81Å; I149-Y255 HydrophobicContact CD1-CE1 4.4Å; I149-Y255 HydrophobicContact CD1-CE2 3.9Å; I149-Y255 HydrophobicContact CD1-CG 3.99Å; Q251-Y255 PolarHBondContact O-N 3.17Å; E253-Y255 PolarHBondContact O-N 2.87Å
256	L	55.6	Low	48.1	Very low	26 Å²	26	79.3 Å²	79.3	14%	0.136	42%	0.423	C	S	.	.	H	α-helix	trans	-81	-30.4	-175.8	-68.7	175.5	0	0	0	113.9	F142 A146 F201 I219 A252 E253	F142-L256 HydrophobicContact CD2-CD2 4.35Å; F142-L256 HydrophobicContact CE2-CB 4.32Å; F142-L256 HydrophobicContact CE2-CD2 3.92Å; F142-L256 HydrophobicContact CZ-CB 4.31Å; F142-L256 HydrophobicContact CZ-CD1 4.19Å; F142-L256 HydrophobicContact CZ-CD2 4.04Å; F142-L256 HydrophobicContact CZ-CG 4.43Å; A146-L256 HydrophobicContact CB-CD1 3.5Å; A146-L256 HydrophobicContact CB-CD2 4.2Å; A146-L256 HydrophobicContact CB-CG 4Å; F201-L256 HydrophobicContact CE2-CD1 4.38Å; I219-L256 HydrophobicContact CD1-CB 4.2Å; I219-L256 HydrophobicContact CD1-CD1 3.4Å; I219-L256 VanDerWaalsContact CD1-CD1 3.4Å; I219-L256 HydrophobicContact CD1-CG 4.45Å; A252-L256 WeakPolarHBondContact O-CB 3.21Å; A252-L256 VanDerWaalsContact O-CG 3.31Å; A252-L256 WeakPolarHBondContact O-CG 3.4Å; A252-L256 PolarHBondContact O-N 3.35Å; E253-L256 PolarHBondContact O-N 3.13Å
257	C	63.8	Low	46	Very low	20 Å²	20	83.8 Å²	83.8	14%	0.135	44%	0.438	C	S	.	.	H	α-helix	trans	-121.3	-12.3	-162.1	-57.8	0	0	0	0	115.4	C216 E253 K259	C216-C257 WeakPolarHBondContact CA-SG 3.39Å; C216-C257 HydrophobicContact CB-CB 3.67Å; C216-C257 WeakPolarHBondContact CB-SG 3.38Å; C216-C257 WeakPolarHBondContact SG-CA 3.43Å; C216-C257 WeakPolarHBondContact SG-CB 3.27Å; C216-C257 CovalentContact SG-SG 2.03Å; C216-C257 PolarHBondContact SG-SG 3.49Å; E253-C257 HydrophobicContact CG-CB 3.95Å; E253-C257 WeakPolarHBondContact O-CA 3.11Å; E253-C257 WeakPolarHBondContact O-CB 3.34Å; E253-C257 PolarHBondContact O-N 3.1Å; C257-K259 PolarHBondContact O-N 2.89Å
258	G	54.9	Low	44.3	Very low	62 Å²	62	86.1 Å²	86.1	64%	0.639	44%	0.44	S	S	*	.			trans	55.6	10.1	164.1	0	0	0	0	0	118.5	T254	T254-G258 PolarHBondContact O-N 3.22Å
259	K	45.4	Very low	42.7	Very low	176 Å²	176	90.9 Å²	90.9	77%	0.765	47%	0.465	S	S	*	.			trans	-107.3	-18.7	-170.2	-91.2	-171.3	176.9	-178.1	0	117	C257 L261	C257-K259 PolarHBondContact O-N 2.89Å; K259-L261 PolarHBondContact O-N 3.33Å; K259-L261 VanDerWaalsContact O-N 3.12Å
260	Y	34.6	Very low	41.3	Very low	130 Å²	130	102.2 Å²	102.2	51%	0.51	51%	0.507	S	S	.	.			trans	-89.2	72.1	177.8	-71.1	-84.9	0	0	0	111.9	R220 E253	R220-Y260 WeakPolarHBondContact CD-OH 3.34Å; R220-Y260 HydrophobicContact CG-CE2 4.11Å; E253-Y260 WeakPolarHBondContact OE1-CD2 3.45Å; E253-Y260 WeakPolarHBondContact OE1-CE2 3.4Å
261	L	29.7	Very low	39.7	Very low	106 Å²	106	104.1 Å²	104.1	56%	0.555	51%	0.51	S	S	*	.			trans	-119.4	73.5	158.3	-73	169.2	0	0	0	108	K259 G263	K259-L261 PolarHBondContact O-N 3.33Å; K259-L261 VanDerWaalsContact O-N 3.12Å; L261-G263 PolarHBondContact O-N 3.04Å; L261-G263 VanDerWaalsContact O-N 3.1Å
262	L	27.6	Very low	38.4	Very low	176 Å²	176	111 Å²	111	92%	0.921	53%	0.533	S	S	*	.			trans	-81.3	53.5	164.1	-72.6	172	0	0	0	110.1
263	G	25	Very low	37.3	Very low	42 Å²	42	113.6 Å²	113.6	43%	0.433	56%	0.555	S	S	.	*	S	Bend	trans	-142.1	150.5	171.9	0	0	0	0	0	108.6	L261 V265	L261-G263 PolarHBondContact O-N 3.04Å; L261-G263 VanDerWaalsContact O-N 3.1Å; G263-V265 PolarHBondContact O-N 3.49Å
264	P	25.4	Very low	36.2	Very low	123 Å²	123	116.6 Å²	116.6	80%	0.799	57%	0.571	S	S	*	*	S	Bend	trans	-59.6	108.3	-161.2	25.3	-33.1	0	0	0	110.5	F266	P264-F266 PolarHBondContact O-N 3.44Å
265	V	23.9	Very low	34.9	Very low	129 Å²	129	120.6 Å²	120.6	78%	0.782	59%	0.589	S	S	*	*			trans	20.7	55.5	161.3	-160.2	0	0	0	0	114.9	G263 R267	G263-V265 PolarHBondContact O-N 3.49Å; V265-R267 HydrophobicContact CG1-CB 4.01Å; V265-R267 PolarHBondContact O-N 2.97Å; V265-R267 VanDerWaalsContact O-N 3.08Å
266	F	24.4	Very low	34	Very low	136 Å²	136	118.1 Å²	118.1	60%	0.596	59%	0.585	S	S	*	*			trans	-78.8	75.3	140.6	-77.9	-71.8	0	0	0	105.9	P264 W268 R271	P264-F266 PolarHBondContact O-N 3.44Å; F266-W268 PolarHBondContact O-N 2.96Å; F266-R271 VanDerWaalsContact CB-NH2 3.33Å; F266-R271 VanDerWaalsContact CD1-NH2 3.29Å; F266-R271 VanDerWaalsContact CG-NH2 3.33Å
267	R	24.5	Very low	32.9	Very low	182 Å²	182	120.7 Å²	120.7	69%	0.687	60%	0.603	S	S	*	*			trans	-50.4	96.9	156.3	-178.4	177.3	179.2	154.1	3.4	105	V265 N269	V265-R267 HydrophobicContact CG1-CB 4.01Å; V265-R267 PolarHBondContact O-N 2.97Å; V265-R267 VanDerWaalsContact O-N 3.08Å; R267-N269 PolarHBondContact NE-OD1 3.44Å; R267-N269 PolarHBondContact O-N 3.27Å
268	W	27	Very low	31.3	Very low	152 Å²	152	128.2 Å²	128.2	58%	0.576	63%	0.634	S	S	*	*			trans	-66.3	74.9	158.4	-69.7	82.8	0	0	0	105	F266 R270 R271	F266-W268 PolarHBondContact O-N 2.96Å; W268-R270 PolarHBondContact O-N 3.14Å; W268-R271 HydrophobicContact CD2-CB 4.42Å; W268-R271 HydrophobicContact CD2-CG 3.83Å; W268-R271 VanDerWaalsContact CD2-NE 3.27Å; W268-R271 VanDerWaalsContact CE2-NE 3.25Å; W268-R271 HydrophobicContact CE3-CB 3.38Å; W268-R271 VanDerWaalsContact CE3-CD 3.47Å; W268-R271 HydrophobicContact CE3-CG 3.26Å; W268-R271 HydrophobicContact CG-CG 4.46Å; W268-R271 HydrophobicContact CH2-CG 4.39Å; W268-R271 HydrophobicContact CZ3-CB 3.46Å; W268-R271 VanDerWaalsContact CZ3-CB 3.46Å; W268-R271 HydrophobicContact CZ3-CG 3.59Å
269	N	25.8	Very low	30.5	Very low	109 Å²	109	130.2 Å²	130.2	58%	0.583	63%	0.626	S	S	*	*	S	Bend	trans	-55.2	91.1	141.9	-84.4	-14.3	0	0	0	103	R267 R271	R267-N269 PolarHBondContact NE-OD1 3.44Å; R267-N269 PolarHBondContact O-N 3.27Å; N269-R271 VanDerWaalsContact O-CA 3.25Å; N269-R271 WeakPolarHBondContact O-CA 3.28Å; N269-R271 PolarHBondContact O-N 3.35Å
270	R	32.2	Very low	30.2	Very low	238 Å²	238	126 Å²	126	90%	0.898	61%	0.61	S	S	*	*			trans	18.1	70	168	-167.6	-174.5	-68.9	179.1	-3.5	109.6	W268 R272	W268-R270 PolarHBondContact O-N 3.14Å; R270-R272 PolarHBondContact O-N 3.01Å
271	R	27.2	Very low	30.9	Very low	112 Å²	112	121.5 Å²	121.5	42%	0.423	59%	0.594	S	S	.	*			trans	-57.9	124.5	-167.6	-74.7	-170.3	-142	-160.8	6.5	104.5	F266 W268 N269 A273	F266-R271 VanDerWaalsContact CB-NH2 3.33Å; F266-R271 VanDerWaalsContact CD1-NH2 3.29Å; F266-R271 VanDerWaalsContact CG-NH2 3.33Å; W268-R271 HydrophobicContact CD2-CB 4.42Å; W268-R271 HydrophobicContact CD2-CG 3.83Å; W268-R271 VanDerWaalsContact CD2-NE 3.27Å; W268-R271 VanDerWaalsContact CE2-NE 3.25Å; W268-R271 HydrophobicContact CE3-CB 3.38Å; W268-R271 VanDerWaalsContact CE3-CD 3.47Å; W268-R271 HydrophobicContact CE3-CG 3.26Å; W268-R271 HydrophobicContact CG-CG 4.46Å; W268-R271 HydrophobicContact CH2-CG 4.39Å; W268-R271 HydrophobicContact CZ3-CB 3.46Å; W268-R271 VanDerWaalsContact CZ3-CB 3.46Å; W268-R271 HydrophobicContact CZ3-CG 3.59Å; N269-R271 VanDerWaalsContact O-CA 3.25Å; N269-R271 WeakPolarHBondContact O-CA 3.28Å; N269-R271 PolarHBondContact O-N 3.35Å; R271-A273 PolarHBondContact O-N 2.84Å; R271-A273 VanDerWaalsContact O-N 3.13Å
272	R	31.9	Very low	32.5	Very low	201 Å²	201	116.8 Å²	116.8	76%	0.758	57%	0.571	S	S	*	*			trans	-40	123.2	-174.5	-68.6	172.5	-178.3	155.7	-0.9	107.8	R270 N274	R270-R272 PolarHBondContact O-N 3.01Å; R272-N274 HydrophobicContact CB-CB 4.26Å; R272-N274 PolarHBondContact O-N 2.99Å
273	A	35.1	Very low	34.8	Very low	56 Å²	56	108.4 Å²	108.4	46%	0.463	53%	0.527	S	S	.	.	S	Bend	trans	-62.1	62.7	169.8	0	0	0	0	0	109.5	R271 R289	R271-A273 PolarHBondContact O-N 2.84Å; R271-A273 VanDerWaalsContact O-N 3.13Å; A273-R289 PolarHBondContact O-NE 2.99Å; A273-R289 PolarHBondContact O-NH2 3.41Å
274	N	36	Very low	37.1	Very low	68 Å²	68	108.3 Å²	108.3	36%	0.364	52%	0.517	S	S	.	.			trans	-103.2	-14.3	-174.4	-83.2	3.8	0	0	0	112.6	R272	R272-N274 HydrophobicContact CB-CB 4.26Å; R272-N274 PolarHBondContact O-N 2.99Å
275	D	30.2	Very low	39.1	Very low	158 Å²	158	104.7 Å²	104.7	85%	0.845	49%	0.489	S	S	*	.	S	Bend	trans	-121.7	9.3	-177.2	-61.7	-36.6	0	0	0	114.3	P277	D275-P277 WeakPolarHBondContact O-CD 3.26Å
276	L	33	Very low	41.2	Very low	79 Å²	79	100 Å²	100	41%	0.414	46%	0.459	S	S	.	.			trans	-78.3	117.2	169.6	-80.2	164.5	0	0	0	109.5	F278 R289	L276-F278 PolarHBondContact O-N 2.96Å; L276-R289 PolarHBondContact O-NH1 3.28Å; L276-R289 PolarHBondContact O-NH2 2.97Å
277	P	32.5	Very low	43.6	Very low	79 Å²	79	97.5 Å²	97.5	51%	0.513	45%	0.445	S	S	.	.			trans	-73.7	123.2	177.9	27.7	-26	0	0	0	109.7	T153 D275 E279	T153-P277 HydrophobicContact CG2-CG 4.35Å; D275-P277 WeakPolarHBondContact O-CD 3.26Å; P277-E279 VanDerWaalsContact C-N 3.28Å; P277-E279 PolarHBondContact O-N 2.78Å
278	F	32.1	Very low	45.6	Very low	179 Å²	179	91.4 Å²	91.4	79%	0.785	42%	0.422	S	S	*	.			trans	46.4	35.5	155.6	-122.2	-87.2	0	0	0	117.7	L276 E280	L276-F278 PolarHBondContact O-N 2.96Å; F278-E280 PolarHBondContact O-N 2.94Å
279	E	36.1	Very low	47.4	Very low	104 Å²	104	86.8 Å²	86.8	49%	0.486	41%	0.405	S	S	.	.	S	Bend	trans	-85.2	97.6	161.1	-171.7	175	-150.1	0	0	106.8	F151 P277 L281	F151-E279 WeakPolarHBondContact CE1-OE2 3.41Å; F151-E279 WeakPolarHBondContact CZ-OE2 3.38Å; P277-E279 VanDerWaalsContact C-N 3.28Å; P277-E279 PolarHBondContact O-N 2.78Å; E279-L281 WeakPolarHBondContact O-CD1 2.91Å; E279-L281 PolarHBondContact O-N 3.44Å
280	E	40.7	Very low	49.3	Very low	88 Å²	88	82.5 Å²	82.5	41%	0.411	38%	0.382	S	S	.	.			trans	16.9	49.3	158	-142.4	170.3	169.2	0	0	116.7	M136 F278 G282 S329	M136-E280 WeakPolarHBondContact CA-O 3.33Å; F278-E280 PolarHBondContact O-N 2.94Å; E280-G282 PolarHBondContact O-N 3.41Å; E280-G282 VanDerWaalsContact O-N 3.12Å; E280-S329 VanDerWaalsContact OE1-CA 3.26Å; E280-S329 WeakPolarHBondContact OE1-CA 3.5Å; E280-S329 WeakPolarHBondContact OE1-CB 3.44Å
281	L	49.2	Very low	51.1	Low	34 Å²	34	75.8 Å²	75.8	18%	0.178	36%	0.364	C	S	.	.			trans	-63.7	117.8	168.4	-99.1	66.3	0	0	0	103.6	M136 E279 E285 E286 Y310	M136-L281 HydrophobicContact CE-CB 4.26Å; M136-L281 HydrophobicContact CE-CG 4.34Å; E279-L281 WeakPolarHBondContact O-CD1 2.91Å; E279-L281 PolarHBondContact O-N 3.44Å; L281-E285 HydrophobicContact CB-CB 4.39Å; L281-E285 HydrophobicContact CD2-CB 3.91Å; L281-E285 HydrophobicContact CD2-CG 3.46Å; L281-E285 VanDerWaalsContact CD2-CG 3.46Å; L281-E285 HydrophobicContact CG-CB 4.13Å; L281-E285 HydrophobicContact CG-CG 4.02Å; L281-E286 HydrophobicContact CB-CB 4.33Å; L281-Y310 PolarHBondContact O-OH 3.21Å
282	G	63.1	Low	52.9	Low	8 Å²	8	76.5 Å²	76.5	8%	0.082	37%	0.366	C	S	.	.			trans	-55.5	153.9	170.6	0	0	0	0	0	110.3	M136 E280 L284 E285 E286	M136-G282 WeakPolarHBondContact CE-O 3.42Å; M136-G282 WeakPolarHBondContact SD-CA 3.47Å; M136-G282 PolarHBondContact SD-N 3.15Å; E280-G282 PolarHBondContact O-N 3.41Å; E280-G282 VanDerWaalsContact O-N 3.12Å; G282-L284 PolarHBondContact O-N 2.81Å; G282-E285 PolarHBondContact O-N 3.41Å; G282-E286 PolarHBondContact O-N 2.89Å
283	C	75.3	Confident	54.2	Low	0 Å²	0	68.4 Å²	68.4	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-48.3	-40.9	-156.8	-173.2	0	0	0	0	114	E285 E286 R287 Q303 C304 G308 Y310	C283-E285 PolarHBondContact O-N 3.17Å; C283-E286 PolarHBondContact O-N 2.99Å; C283-R287 VanDerWaalsContact O-CB 3.23Å; C283-R287 WeakPolarHBondContact O-CB 3.37Å; C283-R287 PolarHBondContact O-N 3.41Å; C283-Q303 VanDerWaalsContact SG-C 3.54Å; C283-Q303 PolarHBondContact SG-O 3.02Å; C283-C304 HydrophobicContact CB-CB 3.73Å; C283-C304 WeakPolarHBondContact CB-SG 3.37Å; C283-C304 PolarHBondContact O-SG 2.86Å; C283-C304 WeakPolarHBondContact SG-CA 3.37Å; C283-C304 WeakPolarHBondContact SG-CB 3.41Å; C283-C304 PolarHBondContact SG-N 2.74Å; C283-C304 CovalentContact SG-SG 2.02Å; C283-C304 PolarHBondContact SG-SG 2.95Å; C283-G308 WeakPolarHBondContact CB-O 3.24Å; C283-Y310 VanDerWaalsContact CA-CZ 3.44Å; C283-Y310 HydrophobicContact CB-CD1 3.65Å; C283-Y310 HydrophobicContact CB-CD2 3.71Å; C283-Y310 HydrophobicContact CB-CE1 3.69Å; C283-Y310 HydrophobicContact CB-CE2 3.75Å; C283-Y310 HydrophobicContact CB-CG 3.65Å; C283-Y310 WeakPolarHBondContact SG-CD1 3.26Å
284	L	74.3	Confident	55.1	Low	39 Å²	39	74 Å²	74	20%	0.204	36%	0.363	C	S	.	.	H	α-helix	trans	-67.5	-35.3	-175.6	-66.8	176.3	0	0	0	114.2	L72 G282 R288 C304 G308	L72-L284 HydrophobicContact CD1-CB 3.79Å; L72-L284 HydrophobicContact CD1-CD1 3.41Å; L72-L284 VanDerWaalsContact CD1-CD1 3.41Å; L72-L284 HydrophobicContact CD1-CG 4.25Å; L72-L284 HydrophobicContact CD2-CD1 3.34Å; L72-L284 HydrophobicContact CG-CD1 3.84Å; G282-L284 PolarHBondContact O-N 2.81Å; L284-R288 WeakPolarHBondContact O-CB 3.35Å; L284-R288 WeakPolarHBondContact O-CG 3.5Å; L284-R288 PolarHBondContact O-N 2.04Å; L284-C304 HydrophobicContact CD2-CB 3.64Å; L284-C304 HydrophobicContact CG-CB 4.26Å; L284-G308 VanDerWaalsContact CG-CA 3.45Å
285	E	66.3	Low	55.8	Low	47 Å²	47	73.9 Å²	73.9	22%	0.22	36%	0.364	C	S	.	.	H	α-helix	trans	-77.4	-36.5	177.1	-169.3	65	-155.6	0	0	111.3	M136 L281 G282 C283 R287 R288 R289 R292	M136-E285 HydrophobicContact CE-CB 3.3Å; M136-E285 HydrophobicContact CE-CG 4.25Å; L281-E285 HydrophobicContact CB-CB 4.39Å; L281-E285 HydrophobicContact CD2-CB 3.91Å; L281-E285 HydrophobicContact CD2-CG 3.46Å; L281-E285 VanDerWaalsContact CD2-CG 3.46Å; L281-E285 HydrophobicContact CG-CB 4.13Å; L281-E285 HydrophobicContact CG-CG 4.02Å; G282-E285 PolarHBondContact O-N 3.41Å; C283-E285 PolarHBondContact O-N 3.17Å; E285-R287 VanDerWaalsContact C-N 3.34Å; E285-R288 PolarHBondContact O-N 2.94Å; E285-R288 WeakPolarHBondContact OE2-CD 3.31Å; E285-R288 IonicContact OE2-CZ 3.68Å; E285-R288 IonicContact OE2-NE 3.93Å; E285-R288 IonicContact OE2-NH1 2.74Å; E285-R288 PolarHBondContact OE2-NH1 3.01Å; E285-R289 WeakPolarHBondContact O-CB 3.12Å; E285-R289 PolarHBondContact O-N 2.92Å; E285-R292 IonicContact OE1-NH1 3.91Å
286	E	68.3	Low	57	Low	31 Å²	31	67.9 Å²	67.9	15%	0.145	34%	0.337	C	S	.	.	H	α-helix	trans	-59.7	-48.1	171.3	-168.4	-173.9	-162.1	0	0	110.2	L281 G282 C283 R288 R289 V290 P302 Y310	L281-E286 HydrophobicContact CB-CB 4.33Å; G282-E286 PolarHBondContact O-N 2.89Å; C283-E286 PolarHBondContact O-N 2.99Å; E286-R288 PolarHBondContact O-N 2.72Å; E286-R289 WeakPolarHBondContact O-CB 3.3Å; E286-R289 PolarHBondContact O-N 2.78Å; E286-R289 VanDerWaalsContact O-N 3.11Å; E286-V290 WeakPolarHBondContact O-CG2 3.21Å; E286-V290 PolarHBondContact O-N 3.39Å; E286-P302 HydrophobicContact CB-CG 3.95Å; E286-P302 HydrophobicContact CG-CG 3.86Å; E286-Y310 WeakPolarHBondContact OE2-CE1 3.27Å; E286-Y310 PolarHBondContact OE2-OH 3.4Å
287	R	74	Confident	58.1	Low	84 Å²	84	68.6 Å²	68.6	32%	0.317	35%	0.349	S	S	.	.	H	α-helix	trans	-55.7	-48.2	175.1	-169.9	177.9	177	93.7	-2.5	111.9	C283 E285 R289 V290 L291 V301 P302	C283-R287 VanDerWaalsContact O-CB 3.23Å; C283-R287 WeakPolarHBondContact O-CB 3.37Å; C283-R287 PolarHBondContact O-N 3.41Å; E285-R287 VanDerWaalsContact C-N 3.34Å; R287-R289 VanDerWaalsContact C-N 3.33Å; R287-R289 PolarHBondContact O-N 3.25Å; R287-V290 PolarHBondContact O-N 3.09Å; R287-L291 HydrophobicContact CG-CD1 4.02Å; R287-L291 WeakPolarHBondContact O-CB 3.4Å; R287-L291 VanDerWaalsContact O-CG 3.25Å; R287-L291 WeakPolarHBondContact O-CG 2.83Å; R287-L291 PolarHBondContact O-N 2.6Å; R287-V301 HydrophobicContact CG-CG1 3.96Å; R287-P302 HydrophobicContact CB-CG 3.96Å; R287-P302 PolarHBondContact NH1-O 3.43Å
288	R	67.9	Low	59.5	Low	54 Å²	54	71 Å²	71	20%	0.204	36%	0.357	C	S	.	.	H	α-helix	trans	-61	-40.6	176.6	-75.4	169.6	-160.7	169.9	-4.3	112.1	I69 L284 E285 E286 R292	I69-R288 HydrophobicContact CD1-CG 4.24Å; I69-R288 VanDerWaalsContact CG2-CZ 3.47Å; I69-R288 VanDerWaalsContact CG2-NE 3.26Å; L284-R288 WeakPolarHBondContact O-CB 3.35Å; L284-R288 WeakPolarHBondContact O-CG 3.5Å; L284-R288 PolarHBondContact O-N 2.04Å; E285-R288 PolarHBondContact O-N 2.94Å; E285-R288 WeakPolarHBondContact OE2-CD 3.31Å; E285-R288 IonicContact OE2-CZ 3.68Å; E285-R288 IonicContact OE2-NE 3.93Å; E285-R288 IonicContact OE2-NH1 2.74Å; E285-R288 PolarHBondContact OE2-NH1 3.01Å; E286-R288 PolarHBondContact O-N 2.72Å; R288-R292 WeakPolarHBondContact O-CB 3.43Å; R288-R292 VanDerWaalsContact O-CG 3.25Å; R288-R292 WeakPolarHBondContact O-CG 3.23Å; R288-R292 PolarHBondContact O-N 2.89Å
289	R	64.2	Low	61.1	Low	54 Å²	54	69.1 Å²	69.1	20%	0.204	35%	0.345	C	S	.	.	H	α-helix	trans	-64	-46.5	179.9	-173.6	-170.3	-84	178.5	-3.6	110.5	A273 L276 E285 E286 R287 R292 S293	A273-R289 PolarHBondContact O-NE 2.99Å; A273-R289 PolarHBondContact O-NH2 3.41Å; L276-R289 PolarHBondContact O-NH1 3.28Å; L276-R289 PolarHBondContact O-NH2 2.97Å; E285-R289 WeakPolarHBondContact O-CB 3.12Å; E285-R289 PolarHBondContact O-N 2.92Å; E286-R289 WeakPolarHBondContact O-CB 3.3Å; E286-R289 PolarHBondContact O-N 2.78Å; E286-R289 VanDerWaalsContact O-N 3.11Å; R287-R289 VanDerWaalsContact C-N 3.33Å; R287-R289 PolarHBondContact O-N 3.25Å; R289-R292 PolarHBondContact O-N 3.23Å; R289-S293 PolarHBondContact O-N 3.32Å
290	V	65.7	Low	63	Low	19 Å²	19	66.3 Å²	66.3	12%	0.115	33%	0.33	C	S	.	.	H	α-helix	trans	-62.7	-46.4	177.8	-179.6	0	0	0	0	110.8	E286 R287 R292 S293 R299 V301	E286-V290 WeakPolarHBondContact O-CG2 3.21Å; E286-V290 PolarHBondContact O-N 3.39Å; R287-V290 PolarHBondContact O-N 3.09Å; V290-R292 VanDerWaalsContact C-N 3.3Å; V290-R292 PolarHBondContact O-N 3.28Å; V290-S293 PolarHBondContact O-N 3.35Å; V290-S293 VanDerWaalsContact O-N 3.08Å; V290-S293 PolarHBondContact O-OG 2.96Å; V290-R299 HydrophobicContact CG1-CB 4.31Å; V290-V301 HydrophobicContact CG1-CG2 3.75Å
291	L	69	Low	64.9	Low	98 Å²	98	63.6 Å²	63.6	51%	0.513	32%	0.32	S	S	.	.	H	α-helix	trans	-65.7	-28.4	179.6	-69	174.6	0	0	0	113.8	R287 S293 V301	R287-L291 HydrophobicContact CG-CD1 4.02Å; R287-L291 WeakPolarHBondContact O-CB 3.4Å; R287-L291 VanDerWaalsContact O-CG 3.25Å; R287-L291 WeakPolarHBondContact O-CG 2.83Å; R287-L291 PolarHBondContact O-N 2.6Å; L291-S293 VanDerWaalsContact C-N 3.33Å; L291-V301 HydrophobicContact CD2-CG1 4.39Å
292	R	65.3	Low	66.4	Low	126 Å²	126	62 Å²	62	48%	0.475	31%	0.311	S	S	.	.	H	α-helix	trans	-74.3	-23.3	173.9	-79.4	175.4	177.6	155.6	3.2	113.1	E285 R288 R289 V290	E285-R292 IonicContact OE1-NH1 3.91Å; R288-R292 WeakPolarHBondContact O-CB 3.43Å; R288-R292 VanDerWaalsContact O-CG 3.25Å; R288-R292 WeakPolarHBondContact O-CG 3.23Å; R288-R292 PolarHBondContact O-N 2.89Å; R289-R292 PolarHBondContact O-N 3.23Å; V290-R292 VanDerWaalsContact C-N 3.3Å; V290-R292 PolarHBondContact O-N 3.28Å
293	S	59.3	Low	67.2	Low	32 Å²	32	63.3 Å²	63.3	22%	0.224	32%	0.315	C	S	.	.	S	Bend	trans	-77.2	127.7	172.9	77.1	0	0	0	0	108.5	R289 V290 L291 V295 A296	R289-S293 PolarHBondContact O-N 3.32Å; V290-S293 PolarHBondContact O-N 3.35Å; V290-S293 VanDerWaalsContact O-N 3.08Å; V290-S293 PolarHBondContact O-OG 2.96Å; L291-S293 VanDerWaalsContact C-N 3.33Å; S293-V295 PolarHBondContact O-N 2.91Å; S293-A296 PolarHBondContact O-N 2.83Å
294	N	54.1	Low	67.5	Low	174 Å²	174	64.4 Å²	64.4	93%	0.93	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	17.5	177.2	-75.6	-11.3	0	0	0	113.9
295	V	51.7	Low	67.5	Low	64 Å²	64	63.5 Å²	63.5	39%	0.388	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	30.1	-177	-163.6	0	0	0	0	110	S293 S297 D298	S293-V295 PolarHBondContact O-N 2.91Å; V295-S297 PolarHBondContact O-N 2.8Å; V295-D298 HydrophobicContact CG1-CB 4.3Å; V295-D298 PolarHBondContact O-N 2.86Å
296	A	53.9	Low	67.5	Low	33 Å²	33	68.9 Å²	68.9	27%	0.273	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-63.6	-25.1	-178.7	0	0	0	0	0	113.3	S293	S293-A296 PolarHBondContact O-N 2.83Å
297	S	56.6	Low	67.4	Low	94 Å²	94	72.4 Å²	72.4	66%	0.657	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-72.1	-29.2	-177.2	-51	0	0	0	0	114.1	V295	V295-S297 PolarHBondContact O-N 2.8Å
298	D	61.7	Low	67.1	Low	129 Å²	129	69 Å²	69	69%	0.69	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-106.6	14.6	-175.8	-67.1	-15.4	0	0	0	112.4	V295	V295-D298 HydrophobicContact CG1-CB 4.3Å; V295-D298 PolarHBondContact O-N 2.86Å
299	R	67.4	Low	67.5	Low	140 Å²	140	68.8 Å²	68.8	53%	0.528	35%	0.345	S	S	.	.	S	Bend	trans	-133.4	144.4	-176.4	-69.8	-175.1	177.6	176.5	-2	111.4	V290 V301	V290-R299 HydrophobicContact CG1-CB 4.31Å; R299-V301 PolarHBondContact O-N 2.89Å
300	Y	75.9	Confident	68.1	Low	45 Å²	45	66.6 Å²	66.6	18%	0.176	34%	0.337	C	S	.	.			trans	-52.1	122.7	166.7	167.8	-108.5	0	0	0	111.1	P302 Q314 D316 W323	Y300-P302 HydrophobicContact CE1-CB 3.89Å; Y300-P302 HydrophobicContact CE1-CG 4.47Å; Y300-Q314 HydrophobicContact CE2-CB 4.08Å; Y300-Q314 WeakPolarHBondContact OH-CB 3.35Å; Y300-Q314 VanDerWaalsContact OH-CG 3.27Å; Y300-Q314 WeakPolarHBondContact OH-CG 3.43Å; Y300-Q314 PolarHBondContact OH-OE1 3.47Å; Y300-D316 HydrophobicContact CD2-CB 4.05Å; Y300-W323 AromaticContact CD2-CH2 3.66Å; Y300-W323 HydrophobicContact CD2-CH2 3.66Å; Y300-W323 AromaticContact CD2-CZ2 4Å; Y300-W323 HydrophobicContact CD2-CZ2 4Å; Y300-W323 AromaticContact CE2-CH2 3.64Å; Y300-W323 HydrophobicContact CE2-CH2 3.64Å; Y300-W323 AromaticContact CE2-CZ2 3.53Å; Y300-W323 HydrophobicContact CE2-CZ2 3.53Å; Y300-W323 HydrophobicContact CG-CH2 4.37Å; Y300-W323 AromaticContact CZ-CZ2 3.81Å
301	V	78.9	Confident	68.9	Low	31 Å²	31	68.7 Å²	68.7	19%	0.188	35%	0.348	C	S	.	.			trans	-106.4	115.4	170.2	-178.8	0	0	0	0	107.4	R287 V290 L291 R299 Q303	R287-V301 HydrophobicContact CG-CG1 3.96Å; V290-V301 HydrophobicContact CG1-CG2 3.75Å; L291-V301 HydrophobicContact CD2-CG1 4.39Å; R299-V301 PolarHBondContact O-N 2.89Å; V301-Q303 PolarHBondContact O-N 3.39Å; V301-Q303 PolarHBondContact O-NE2 3.18Å
302	P	81.5	Confident	69.6	Low	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.33	C	S	.	.			trans	-63.7	136	-179.4	26.2	-35	0	0	0	111.4	E286 R287 Y300 Y310	E286-P302 HydrophobicContact CB-CG 3.95Å; E286-P302 HydrophobicContact CG-CG 3.86Å; R287-P302 HydrophobicContact CB-CG 3.96Å; R287-P302 PolarHBondContact NH1-O 3.43Å; Y300-P302 HydrophobicContact CE1-CB 3.89Å; Y300-P302 HydrophobicContact CE1-CG 4.47Å; P302-Y310 HydrophobicContact CB-CD1 4.16Å; P302-Y310 HydrophobicContact CB-CE1 3.76Å
303	Q	80.8	Confident	70.6	Confident	35 Å²	35	61 Å²	61	16%	0.164	32%	0.318	C	S	.	.			trans	-89.6	117.3	175.9	-64.1	88.8	19.4	0	0	110.5	C283 V301 N311 Q314 C315	C283-Q303 VanDerWaalsContact SG-C 3.54Å; C283-Q303 PolarHBondContact SG-O 3.02Å; V301-Q303 PolarHBondContact O-N 3.39Å; V301-Q303 PolarHBondContact O-NE2 3.18Å; Q303-N311 HydrophobicContact CB-CB 4.32Å; Q303-N311 PolarHBondContact O-N 3.16Å; Q303-Q314 PolarHBondContact O-NE2 2.7Å; Q303-C315 PolarHBondContact NE2-O 3.19Å
304	C	80.5	Confident	71.8	Confident	24 Å²	24	59.5 Å²	59.5	16%	0.162	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-111.5	151	-176.3	-41.8	0	0	0	0	111.2	C283 L284 Y309	C283-C304 HydrophobicContact CB-CB 3.73Å; C283-C304 WeakPolarHBondContact CB-SG 3.37Å; C283-C304 PolarHBondContact O-SG 2.86Å; C283-C304 WeakPolarHBondContact SG-CA 3.37Å; C283-C304 WeakPolarHBondContact SG-CB 3.41Å; C283-C304 PolarHBondContact SG-N 2.74Å; C283-C304 CovalentContact SG-SG 2.02Å; C283-C304 PolarHBondContact SG-SG 2.95Å; L284-C304 HydrophobicContact CD2-CB 3.64Å; L284-C304 HydrophobicContact CG-CB 4.26Å; C304-Y309 CarbonylContact C-O 3.36Å; C304-Y309 WeakPolarHBondContact CA-O 3.43Å
305	N	73.8	Confident	73.1	Confident	20 Å²	20	52 Å²	52	11%	0.107	27%	0.268	C	S	.	.			trans	-80.9	173.1	169.6	73.9	6.6	0	0	0	111.2	R307 G308 Y309 N311 N365	N305-R307 PolarHBondContact O-N 3.41Å; N305-R307 VanDerWaalsContact O-N 3.14Å; N305-R307 PolarHBondContact OD1-N 3.14Å; N305-R307 VanDerWaalsContact OD1-N 3.1Å; N305-G308 PolarHBondContact O-N 3.35Å; N305-G308 PolarHBondContact OD1-N 2.84Å; N305-Y309 PolarHBondContact N-O 2.98Å; N305-Y309 PolarHBondContact OD1-N 3.28Å; N305-Y309 PolarHBondContact OD1-O 3.37Å; N305-N311 PolarHBondContact N-OD1 2.96Å; N305-N365 PolarHBondContact ND2-OD1 3.34Å
306	H	67.4	Low	74.7	Confident	159 Å²	159	49.6 Å²	49.6	74%	0.736	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.6	-179.3	63.9	-84.5	0	0	0	114
307	R	65.5	Low	75.9	Confident	105 Å²	105	53.3 Å²	53.3	40%	0.396	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-10	176.8	-55.2	-171.8	78.1	-172.3	8.2	113.4	N305 Y309 L364 E366	N305-R307 PolarHBondContact O-N 3.41Å; N305-R307 VanDerWaalsContact O-N 3.14Å; N305-R307 PolarHBondContact OD1-N 3.14Å; N305-R307 VanDerWaalsContact OD1-N 3.1Å; R307-Y309 HydrophobicContact CB-CD2 3.78Å; R307-Y309 HydrophobicContact CB-CE2 3.96Å; R307-L364 VanDerWaalsContact CD-O 3.26Å; R307-L364 WeakPolarHBondContact CD-O 3.45Å; R307-L364 PolarHBondContact NH1-O 3.28Å; R307-E366 PolarHBondContact NH1-O 3.46Å
308	G	68.7	Low	76.7	Confident	13 Å²	13	51.9 Å²	51.9	13%	0.134	25%	0.251	C	S	.	.	S	Bend	trans	93.2	8.2	178.9	0	0	0	0	0	116.8	C283 L284 N305	C283-G308 WeakPolarHBondContact CB-O 3.24Å; L284-G308 VanDerWaalsContact CG-CA 3.45Å; N305-G308 PolarHBondContact O-N 3.35Å; N305-G308 PolarHBondContact OD1-N 2.84Å
309	Y	75.9	Confident	77.6	Confident	49 Å²	49	50.5 Å²	50.5	19%	0.192	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-78.9	159.8	167.6	-61.5	-70.5	0	0	0	110.8	C304 N305 R307 V327 E328 L364	C304-Y309 CarbonylContact C-O 3.36Å; C304-Y309 WeakPolarHBondContact CA-O 3.43Å; N305-Y309 PolarHBondContact N-O 2.98Å; N305-Y309 PolarHBondContact OD1-N 3.28Å; N305-Y309 PolarHBondContact OD1-O 3.37Å; R307-Y309 HydrophobicContact CB-CD2 3.78Å; R307-Y309 HydrophobicContact CB-CE2 3.96Å; Y309-V327 WeakPolarHBondContact CB-O 3.47Å; Y309-E328 HydrophobicContact CE1-CG 4.45Å; Y309-L364 HydrophobicContact CD1-CD1 4.19Å; Y309-L364 HydrophobicContact CD2-CB 4.33Å; Y309-L364 HydrophobicContact CE1-CD1 4.14Å; Y309-L364 HydrophobicContact CE1-CD2 4.32Å; Y309-L364 HydrophobicContact CE2-CB 4.34Å; Y309-L364 HydrophobicContact CE2-CD2 4.18Å
310	Y	76.4	Confident	78.2	Confident	8 Å²	8	45.1 Å²	45.1	3%	0.031	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-66.9	141.7	170.8	-66.4	-92.3	0	0	0	109.9	L281 C283 E286 P302 V327 G330	L281-Y310 PolarHBondContact O-OH 3.21Å; C283-Y310 VanDerWaalsContact CA-CZ 3.44Å; C283-Y310 HydrophobicContact CB-CD1 3.65Å; C283-Y310 HydrophobicContact CB-CD2 3.71Å; C283-Y310 HydrophobicContact CB-CE1 3.69Å; C283-Y310 HydrophobicContact CB-CE2 3.75Å; C283-Y310 HydrophobicContact CB-CG 3.65Å; C283-Y310 WeakPolarHBondContact SG-CD1 3.26Å; E286-Y310 WeakPolarHBondContact OE2-CE1 3.27Å; E286-Y310 PolarHBondContact OE2-OH 3.4Å; P302-Y310 HydrophobicContact CB-CD1 4.16Å; P302-Y310 HydrophobicContact CB-CE1 3.76Å; Y310-V327 PolarHBondContact N-O 3.1Å; Y310-V327 WeakPolarHBondContact O-CB 3.38Å; Y310-V327 WeakPolarHBondContact O-CG1 3.14Å; Y310-G330 VanDerWaalsContact CD2-N 3.34Å
311	N	83.4	Confident	78.7	Confident	64 Å²	64	46 Å²	46	34%	0.342	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-63.6	141.7	164	-69.2	-16.9	0	0	0	109.3	Q303 N305 V313 Q314 V325	Q303-N311 HydrophobicContact CB-CB 4.32Å; Q303-N311 PolarHBondContact O-N 3.16Å; N305-N311 PolarHBondContact N-OD1 2.96Å; N311-V313 CarbonylContact O-C 3.48Å; N311-V313 PolarHBondContact O-N 2.92Å; N311-V313 VanDerWaalsContact O-N 3.12Å; N311-Q314 VanDerWaalsContact N-NE2 3.18Å; N311-Q314 PolarHBondContact O-NE2 2.03Å; N311-V325 WeakPolarHBondContact O-CG2 2.99Å
312	L	83.7	Confident	79	Confident	26 Å²	26	45 Å²	45	14%	0.136	23%	0.23	C	C	.	.	S	Bend	trans	-54.3	-34.9	-178.5	178.5	63.7	0	0	0	112.6	C324 V325 V327 C346 F357 V358 A361	L312-C324 CarbonylContact O-C 3.45Å; L312-C324 WeakPolarHBondContact O-CA 3.43Å; L312-V325 WeakPolarHBondContact CD1-O 3.38Å; L312-V325 PolarHBondContact O-N 3.42Å; L312-V327 HydrophobicContact CB-CG1 4.07Å; L312-V327 HydrophobicContact CD1-CG1 4.3Å; L312-C346 HydrophobicContact CD1-CB 4.28Å; L312-C346 HydrophobicContact CD2-CB 3.71Å; L312-C346 HydrophobicContact CG-CB 3.84Å; L312-F357 HydrophobicContact CD1-CB 3.75Å; L312-V358 HydrophobicContact CD2-CG2 3.96Å; L312-A361 HydrophobicContact CB-CB 4.33Å; L312-A361 HydrophobicContact CD1-CB 4.44Å; L312-A361 HydrophobicContact CD2-CB 4.41Å
313	V	86.4	Confident	79.3	Confident	36 Å²	36	45.7 Å²	45.7	22%	0.218	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127	170.9	-179.9	0	0	0	0	108.7	N311 C322 W323 V344 C346	N311-V313 CarbonylContact O-C 3.48Å; N311-V313 PolarHBondContact O-N 2.92Å; N311-V313 VanDerWaalsContact O-N 3.12Å; V313-C322 HydrophobicContact CG1-CB 4.14Å; V313-W323 WeakPolarHBondContact CA-O 3.4Å; V313-V344 HydrophobicContact CG1-CB 4.28Å; V313-C346 VanDerWaalsContact CG2-SG 3.56Å
314	Q	83.8	Confident	79.5	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	142.9	169.7	-65.7	-62	-53.8	0	0	109.3	Y300 Q303 N311 C322 W323 V325	Y300-Q314 HydrophobicContact CE2-CB 4.08Å; Y300-Q314 WeakPolarHBondContact OH-CB 3.35Å; Y300-Q314 VanDerWaalsContact OH-CG 3.27Å; Y300-Q314 WeakPolarHBondContact OH-CG 3.43Å; Y300-Q314 PolarHBondContact OH-OE1 3.47Å; Q303-Q314 PolarHBondContact O-NE2 2.7Å; N311-Q314 VanDerWaalsContact N-NE2 3.18Å; N311-Q314 PolarHBondContact O-NE2 2.03Å; Q314-C322 CarbonylContact O-C 3.52Å; Q314-C322 WeakPolarHBondContact O-CA 3.39Å; Q314-W323 HydrophobicContact CB-CD2 4.33Å; Q314-W323 HydrophobicContact CB-CZ2 3.93Å; Q314-W323 PolarHBondContact N-O 3.45Å; Q314-W323 PolarHBondContact O-N 3.12Å; Q314-V325 HydrophobicContact CB-CG1 4.1Å; Q314-V325 HydrophobicContact CG-CB 4.25Å; Q314-V325 HydrophobicContact CG-CG1 3.57Å; Q314-V325 HydrophobicContact CG-CG2 3.6Å
315	C	82.3	Confident	79.7	Confident	17 Å²	17	43 Å²	43	12%	0.115	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	126.7	-179.6	-68.1	0	0	0	0	110.6	Q303 Y317 Q321 C322	Q303-C315 PolarHBondContact NE2-O 3.19Å; C315-Y317 HydrophobicContact CB-CE1 4.23Å; C315-Y317 HydrophobicContact CB-CE2 4.13Å; C315-Q321 CarbonylContact C-O 3.47Å; C315-Q321 WeakPolarHBondContact CA-O 3.47Å; C315-C322 HydrophobicContact CB-CB 4.13Å; C315-C322 WeakPolarHBondContact CB-SG 3.42Å; C315-C322 WeakPolarHBondContact SG-CB 2.89Å; C315-C322 CovalentContact SG-SG 2.04Å; C315-C322 PolarHBondContact SG-SG 2.9Å
316	D	83.6	Confident	79.9	Confident	13 Å²	13	42.4 Å²	42.4	7%	0.07	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	100.8	164.2	-169.4	-13.7	0	0	0	109.4	Y300 S318 I319 G320 Q321 W323	Y300-D316 HydrophobicContact CD2-CB 4.05Å; D316-S318 VanDerWaalsContact CG-OG 3.31Å; D316-S318 PolarHBondContact O-N 2.68Å; D316-S318 WeakPolarHBondContact OD1-CA 2.98Å; D316-S318 VanDerWaalsContact OD1-CB 3.3Å; D316-S318 WeakPolarHBondContact OD1-CB 3.41Å; D316-S318 PolarHBondContact OD1-N 3.37Å; D316-S318 PolarHBondContact OD1-OG 2.94Å; D316-S318 PolarHBondContact OD2-OG 3.1Å; D316-I319 HydrophobicContact CB-CB 4.4Å; D316-I319 PolarHBondContact O-N 3.01Å; D316-I319 PolarHBondContact OD1-N 2.87Å; D316-I319 WeakPolarHBondContact OD2-CD1 3.27Å; D316-I319 WeakPolarHBondContact OD2-CG1 3.25Å; D316-G320 WeakPolarHBondContact O-CA 3.46Å; D316-G320 PolarHBondContact O-N 3.48Å; D316-Q321 PolarHBondContact N-O 3.24Å; D316-Q321 PolarHBondContact O-N 3.42Å; D316-W323 HydrophobicContact CB-CH2 3.73Å; D316-W323 HydrophobicContact CB-CZ3 3.65Å
317	Y	79.3	Confident	80.5	Confident	111 Å²	111	35 Å²	35	44%	0.435	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-18.5	176.8	-62.6	-69.1	0	0	0	113.3	S52 C315 V340	S52-Y317 PolarHBondContact OG-OH 2.88Å; C315-Y317 HydrophobicContact CB-CE1 4.23Å; C315-Y317 HydrophobicContact CB-CE2 4.13Å; Y317-V340 HydrophobicContact CD1-CG1 4.47Å; Y317-V340 HydrophobicContact CD1-CG2 4.25Å; Y317-V340 HydrophobicContact CE1-CG1 4.28Å; Y317-V340 HydrophobicContact CE1-CG2 4.44Å
318	S	73.3	Confident	80.7	Confident	65 Å²	65	30.7 Å²	30.7	46%	0.455	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-35.8	175.5	74.7	0	0	0	0	111.5	D316	D316-S318 VanDerWaalsContact CG-OG 3.31Å; D316-S318 PolarHBondContact O-N 2.68Å; D316-S318 WeakPolarHBondContact OD1-CA 2.98Å; D316-S318 VanDerWaalsContact OD1-CB 3.3Å; D316-S318 WeakPolarHBondContact OD1-CB 3.41Å; D316-S318 PolarHBondContact OD1-N 3.37Å; D316-S318 PolarHBondContact OD1-OG 2.94Å; D316-S318 PolarHBondContact OD2-OG 3.1Å
319	I	81.3	Confident	80.6	Confident	100 Å²	100	30.5 Å²	30.5	51%	0.513	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-20	175.2	-56.6	176.6	0	0	0	111.1	D316 Q321	D316-I319 HydrophobicContact CB-CB 4.4Å; D316-I319 PolarHBondContact O-N 3.01Å; D316-I319 PolarHBondContact OD1-N 2.87Å; D316-I319 WeakPolarHBondContact OD2-CD1 3.27Å; D316-I319 WeakPolarHBondContact OD2-CG1 3.25Å; I319-Q321 HydrophobicContact CG2-CB 4.4Å; I319-Q321 HydrophobicContact CG2-CG 4Å
320	G	80.1	Confident	80.5	Confident	26 Å²	26	29 Å²	29	27%	0.268	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	34.8	-175	0	0	0	0	0	112.6	D316 P339 V340	D316-G320 WeakPolarHBondContact O-CA 3.46Å; D316-G320 PolarHBondContact O-N 3.48Å; G320-P339 CarbonylContact O-C 3.6Å; G320-P339 WeakPolarHBondContact O-CA 3.41Å; G320-V340 WeakPolarHBondContact O-CG2 3.45Å; G320-V340 PolarHBondContact O-N 2.8Å
321	Q	86.1	Confident	80.5	Confident	65 Å²	65	32.1 Å²	32.1	30%	0.304	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.6	179	-71	-176.2	-16.3	0	0	112.3	C315 D316 I319 W323 K338	C315-Q321 CarbonylContact C-O 3.47Å; C315-Q321 WeakPolarHBondContact CA-O 3.47Å; D316-Q321 PolarHBondContact N-O 3.24Å; D316-Q321 PolarHBondContact O-N 3.42Å; I319-Q321 HydrophobicContact CG2-CB 4.4Å; I319-Q321 HydrophobicContact CG2-CG 4Å; Q321-W323 WeakPolarHBondContact O-CZ3 3.07Å; Q321-K338 CarbonylContact C-O 3.59Å; Q321-K338 VanDerWaalsContact CA-O 3.23Å; Q321-K338 WeakPolarHBondContact CA-O 3.28Å
322	C	85.9	Confident	80.3	Confident	9 Å²	9	32.1 Å²	32.1	6%	0.061	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	153	172.1	-62.8	0	0	0	0	110.5	V313 Q314 C315 R337 K338 V344	V313-C322 HydrophobicContact CG1-CB 4.14Å; Q314-C322 CarbonylContact O-C 3.52Å; Q314-C322 WeakPolarHBondContact O-CA 3.39Å; C315-C322 HydrophobicContact CB-CB 4.13Å; C315-C322 WeakPolarHBondContact CB-SG 3.42Å; C315-C322 WeakPolarHBondContact SG-CB 2.89Å; C315-C322 CovalentContact SG-SG 2.04Å; C315-C322 PolarHBondContact SG-SG 2.9Å; C322-R337 CarbonylContact O-C 3.6Å; C322-R337 WeakPolarHBondContact O-CA 3.39Å; C322-K338 PolarHBondContact N-O 3.17Å; C322-K338 PolarHBondContact O-N 3.38Å; C322-V344 HydrophobicContact CB-CB 4.45Å; C322-V344 HydrophobicContact CB-CG2 3.38Å
323	W	86.9	Confident	80	Confident	15 Å²	15	31.4 Å²	31.4	6%	0.057	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	164.7	-178	60.7	89.7	0	0	0	111.9	Y300 V313 Q314 D316 Q321 E332 S336 R337	Y300-W323 AromaticContact CD2-CH2 3.66Å; Y300-W323 HydrophobicContact CD2-CH2 3.66Å; Y300-W323 AromaticContact CD2-CZ2 4Å; Y300-W323 HydrophobicContact CD2-CZ2 4Å; Y300-W323 AromaticContact CE2-CH2 3.64Å; Y300-W323 HydrophobicContact CE2-CH2 3.64Å; Y300-W323 AromaticContact CE2-CZ2 3.53Å; Y300-W323 HydrophobicContact CE2-CZ2 3.53Å; Y300-W323 HydrophobicContact CG-CH2 4.37Å; Y300-W323 AromaticContact CZ-CZ2 3.81Å; V313-W323 WeakPolarHBondContact CA-O 3.4Å; Q314-W323 HydrophobicContact CB-CD2 4.33Å; Q314-W323 HydrophobicContact CB-CZ2 3.93Å; Q314-W323 PolarHBondContact N-O 3.45Å; Q314-W323 PolarHBondContact O-N 3.12Å; D316-W323 HydrophobicContact CB-CH2 3.73Å; D316-W323 HydrophobicContact CB-CZ3 3.65Å; Q321-W323 WeakPolarHBondContact O-CZ3 3.07Å; W323-E332 HydrophobicContact CB-CG 4.28Å; W323-E332 HydrophobicContact CG-CG 4.02Å; W323-S336 WeakPolarHBondContact CB-OG 3.21Å; W323-R337 HydrophobicContact CB-CG 3.83Å; W323-R337 HydrophobicContact CE3-CG 4.3Å; W323-R337 HydrophobicContact CG-CG 4.39Å
324	C	85.2	Confident	79.3	Confident	2 Å²	2	33.1 Å²	33.1	1%	0.014	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	139.9	174.7	-57.6	0	0	0	0	110	L312 Q333 S336 C346	L312-C324 CarbonylContact O-C 3.45Å; L312-C324 WeakPolarHBondContact O-CA 3.43Å; C324-Q333 HydrophobicContact CB-CB 4.08Å; C324-Q333 WeakPolarHBondContact O-CB 3.47Å; C324-Q333 PolarHBondContact O-N 3.23Å; C324-S336 PolarHBondContact N-OG 3.03Å; C324-S336 VanDerWaalsContact N-OG 3.1Å; C324-S336 PolarHBondContact O-OG 3.33Å; C324-C346 VanDerWaalsContact CA-SG 3.6Å; C324-C346 HydrophobicContact CB-CB 4.04Å; C324-C346 WeakPolarHBondContact CB-SG 3.06Å; C324-C346 WeakPolarHBondContact SG-CA 3.01Å; C324-C346 WeakPolarHBondContact SG-CB 3.43Å; C324-C346 CovalentContact SG-SG 2.03Å; C324-C346 PolarHBondContact SG-SG 3.39Å
325	V	84.1	Confident	78.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-126.8	157.5	174.8	-60.4	0	0	0	0	111.9	N311 L312 Q314 V327 L331	N311-V325 WeakPolarHBondContact O-CG2 2.99Å; L312-V325 WeakPolarHBondContact CD1-O 3.38Å; L312-V325 PolarHBondContact O-N 3.42Å; Q314-V325 HydrophobicContact CB-CG1 4.1Å; Q314-V325 HydrophobicContact CG-CB 4.25Å; Q314-V325 HydrophobicContact CG-CG1 3.57Å; Q314-V325 HydrophobicContact CG-CG2 3.6Å; V325-V327 PolarHBondContact O-N 3.48Å; V325-L331 CarbonylContact C-O 3.57Å; V325-L331 WeakPolarHBondContact CA-O 3.41Å
326	D	78.8	Confident	78.7	Confident	7 Å²	7	43 Å²	43	4%	0.037	23%	0.232	C	C	.	.			trans	-67.8	122.4	159.9	179	90.6	0	0	0	108.5	E328 S329 G330 L331 F357 K360	D326-E328 PolarHBondContact O-N 3.43Å; D326-E328 VanDerWaalsContact O-N 3.08Å; D326-E328 WeakPolarHBondContact OD2-CB 3.35Å; D326-E328 PolarHBondContact OD2-N 3.11Å; D326-E328 VanDerWaalsContact OD2-N 3.09Å; D326-S329 VanDerWaalsContact CB-OG 3.26Å; D326-S329 WeakPolarHBondContact CB-OG 3.28Å; D326-S329 PolarHBondContact OD2-N 3.03Å; D326-S329 PolarHBondContact OD2-OG 3.49Å; D326-G330 WeakPolarHBondContact O-CA 3.31Å; D326-G330 PolarHBondContact O-N 3.32Å; D326-L331 PolarHBondContact N-O 3Å; D326-F357 HydrophobicContact CB-CD1 4.14Å; D326-F357 HydrophobicContact CB-CE1 3.71Å; D326-F357 HydrophobicContact CB-CE2 4.23Å; D326-F357 HydrophobicContact CB-CZ 3.77Å; D326-K360 VanDerWaalsContact CG-NZ 3.34Å; D326-K360 VanDerWaalsContact OD1-CD 3.27Å; D326-K360 WeakPolarHBondContact OD1-CD 3.18Å; D326-K360 IonicContact OD1-NZ 3.43Å; D326-K360 PolarHBondContact OD1-NZ 3.24Å; D326-K360 IonicContact OD2-NZ 2.69Å; D326-K360 PolarHBondContact OD2-NZ 2.91Å
327	V	79.8	Confident	78.8	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.024	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-20	-173.3	-70.4	0	0	0	0	114.1	Y309 Y310 L312 V325 K360 A361 L364	Y309-V327 WeakPolarHBondContact CB-O 3.47Å; Y310-V327 PolarHBondContact N-O 3.1Å; Y310-V327 WeakPolarHBondContact O-CB 3.38Å; Y310-V327 WeakPolarHBondContact O-CG1 3.14Å; L312-V327 HydrophobicContact CB-CG1 4.07Å; L312-V327 HydrophobicContact CD1-CG1 4.3Å; V325-V327 PolarHBondContact O-N 3.48Å; V327-K360 HydrophobicContact CG2-CB 4.32Å; V327-K360 HydrophobicContact CG2-CD 4.17Å; V327-K360 HydrophobicContact CG2-CG 3.93Å; V327-A361 HydrophobicContact CG1-CB 3.54Å; V327-A361 HydrophobicContact CG2-CB 4.32Å; V327-L364 HydrophobicContact CG2-CD1 3.72Å
328	E	70.3	Confident	78.9	Confident	14 Å²	14	46.8 Å²	46.8	7%	0.065	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-51.2	-178.9	-174	178.6	-160.5	0	0	112	S132 L133 Y309 D326 K360 L364	S132-E328 VanDerWaalsContact C-CD 3.44Å; S132-E328 WeakPolarHBondContact CA-OE1 3.16Å; S132-E328 WeakPolarHBondContact CA-OE2 3.42Å; L133-E328 PolarHBondContact N-OE1 3.27Å; L133-E328 VanDerWaalsContact N-OE1 3.14Å; Y309-E328 HydrophobicContact CE1-CG 4.45Å; D326-E328 PolarHBondContact O-N 3.43Å; D326-E328 VanDerWaalsContact O-N 3.08Å; D326-E328 WeakPolarHBondContact OD2-CB 3.35Å; D326-E328 PolarHBondContact OD2-N 3.11Å; D326-E328 VanDerWaalsContact OD2-N 3.09Å; E328-K360 WeakPolarHBondContact OE2-CE 3.49Å; E328-K360 IonicContact OE2-NZ 3.17Å; E328-K360 PolarHBondContact OE2-NZ 2.81Å; E328-L364 HydrophobicContact CB-CD1 4.49Å
329	S	66.6	Low	79.3	Confident	10 Å²	10	45.8 Å²	45.8	7%	0.07	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-23.5	-176.7	60.1	0	0	0	0	113.8	E280 D326 L331	E280-S329 VanDerWaalsContact OE1-CA 3.26Å; E280-S329 WeakPolarHBondContact OE1-CA 3.5Å; E280-S329 WeakPolarHBondContact OE1-CB 3.44Å; D326-S329 VanDerWaalsContact CB-OG 3.26Å; D326-S329 WeakPolarHBondContact CB-OG 3.28Å; D326-S329 PolarHBondContact OD2-N 3.03Å; D326-S329 PolarHBondContact OD2-OG 3.49Å; S329-L331 PolarHBondContact O-N 3.14Å; S329-L331 WeakPolarHBondContact OG-CB 3.32Å; S329-L331 WeakPolarHBondContact OG-CG 3.43Å; S329-L331 PolarHBondContact OG-N 3.47Å
330	G	74.2	Confident	79.2	Confident	17 Å²	17	44.1 Å²	44.1	18%	0.175	23%	0.234	C	C	.	.			trans	74	5.8	-170	0	0	0	0	0	113.7	Y310 D326 E332	Y310-G330 VanDerWaalsContact CD2-N 3.34Å; D326-G330 WeakPolarHBondContact O-CA 3.31Å; D326-G330 PolarHBondContact O-N 3.32Å; G330-E332 PolarHBondContact O-N 3.2Å
331	L	74.7	Confident	79	Confident	73 Å²	73	49.2 Å²	49.2	38%	0.382	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-67.6	128.4	-179.4	-70.8	174.3	0	0	0	111.5	V325 D326 S329 Q333	V325-L331 CarbonylContact C-O 3.57Å; V325-L331 WeakPolarHBondContact CA-O 3.41Å; D326-L331 PolarHBondContact N-O 3Å; S329-L331 PolarHBondContact O-N 3.14Å; S329-L331 WeakPolarHBondContact OG-CB 3.32Å; S329-L331 WeakPolarHBondContact OG-CG 3.43Å; S329-L331 PolarHBondContact OG-N 3.47Å; L331-Q333 PolarHBondContact O-N 2.95Å
332	E	80.8	Confident	78.4	Confident	64 Å²	64	50.5 Å²	50.5	30%	0.299	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-63.7	131.6	175.5	177.8	-177.4	158.7	0	0	111.7	W323 G330 A334 R337	W323-E332 HydrophobicContact CB-CG 4.28Å; W323-E332 HydrophobicContact CG-CG 4.02Å; G330-E332 PolarHBondContact O-N 3.2Å; E332-A334 PolarHBondContact O-N 2.85Å; E332-R337 WeakPolarHBondContact OE1-CD 3.44Å; E332-R337 VanDerWaalsContact OE1-CG 3.25Å; E332-R337 WeakPolarHBondContact OE1-CG 3.47Å; E332-R337 IonicContact OE1-CZ 3.79Å; E332-R337 IonicContact OE1-NE 3.45Å; E332-R337 PolarHBondContact OE1-NE 2.05Å; E332-R337 IonicContact OE2-CZ 2.89Å; E332-R337 VanDerWaalsContact OE2-CZ 3.25Å; E332-R337 IonicContact OE2-NE 2.94Å; E332-R337 PolarHBondContact OE2-NE 2.03Å; E332-R337 IonicContact OE2-NH2 2.92Å; E332-R337 PolarHBondContact OE2-NH2 3.15Å
333	Q	76.9	Confident	77.8	Confident	12 Å²	12	56.3 Å²	56.3	6%	0.056	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-67.7	126.8	167.6	-168.2	-172.5	2	0	0	110	C324 L331 K335 S336 S354 F357 N378 S379	C324-Q333 HydrophobicContact CB-CB 4.08Å; C324-Q333 WeakPolarHBondContact O-CB 3.47Å; C324-Q333 PolarHBondContact O-N 3.23Å; L331-Q333 PolarHBondContact O-N 2.95Å; Q333-K335 PolarHBondContact O-N 3.23Å; Q333-S336 WeakPolarHBondContact O-CB 3.3Å; Q333-S336 PolarHBondContact O-N 2.97Å; Q333-S336 VanDerWaalsContact O-N 3.13Å; Q333-S336 PolarHBondContact O-OG 3.35Å; Q333-S354 VanDerWaalsContact CD-CB 3.49Å; Q333-S354 PolarHBondContact OE1-OG 3.4Å; Q333-F357 HydrophobicContact CB-CD2 4.31Å; Q333-F357 HydrophobicContact CB-CE2 3.72Å; Q333-F357 HydrophobicContact CG-CE2 4.11Å; Q333-N378 WeakPolarHBondContact CA-O 3.39Å; Q333-S379 PolarHBondContact NE2-O 3.13Å
334	A	71	Confident	77.3	Confident	71 Å²	71	56.6 Å²	56.6	59%	0.587	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	126.9	178.8	0	0	0	0	0	112	E332 S336 N378	E332-A334 PolarHBondContact O-N 2.85Å; A334-S336 VanDerWaalsContact C-N 3.31Å; A334-S336 PolarHBondContact O-N 3.1Å; A334-N378 PolarHBondContact N-O 3.33Å
335	K	74.2	Confident	76.8	Confident	210 Å²	210	61 Å²	61	91%	0.913	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	24.7	178.2	-51.1	178.2	179.5	177.6	0	115.2	Q333	Q333-K335 PolarHBondContact O-N 3.23Å
336	S	80.2	Confident	76.4	Confident	14 Å²	14	61.9 Å²	61.9	10%	0.098	33%	0.329	C	S	.	.			trans	-90.6	-9.3	175.3	65.2	0	0	0	0	114.4	W323 C324 Q333 A334 K338	W323-S336 WeakPolarHBondContact CB-OG 3.21Å; C324-S336 PolarHBondContact N-OG 3.03Å; C324-S336 VanDerWaalsContact N-OG 3.1Å; C324-S336 PolarHBondContact O-OG 3.33Å; Q333-S336 WeakPolarHBondContact O-CB 3.3Å; Q333-S336 PolarHBondContact O-N 2.97Å; Q333-S336 VanDerWaalsContact O-N 3.13Å; Q333-S336 PolarHBondContact O-OG 3.35Å; A334-S336 VanDerWaalsContact C-N 3.31Å; A334-S336 PolarHBondContact O-N 3.1Å; S336-K338 PolarHBondContact O-N 3.45Å
337	R	84.5	Confident	75.9	Confident	111 Å²	111	62.2 Å²	62.2	42%	0.419	33%	0.333	S	S	.	.			trans	-60.1	129.7	178.2	-79.1	174.7	-170.6	-128.8	-1.1	112.7	C322 W323 E332	C322-R337 CarbonylContact O-C 3.6Å; C322-R337 WeakPolarHBondContact O-CA 3.39Å; W323-R337 HydrophobicContact CB-CG 3.83Å; W323-R337 HydrophobicContact CE3-CG 4.3Å; W323-R337 HydrophobicContact CG-CG 4.39Å; E332-R337 WeakPolarHBondContact OE1-CD 3.44Å; E332-R337 VanDerWaalsContact OE1-CG 3.25Å; E332-R337 WeakPolarHBondContact OE1-CG 3.47Å; E332-R337 IonicContact OE1-CZ 3.79Å; E332-R337 IonicContact OE1-NE 3.45Å; E332-R337 PolarHBondContact OE1-NE 2.05Å; E332-R337 IonicContact OE2-CZ 2.89Å; E332-R337 VanDerWaalsContact OE2-CZ 3.25Å; E332-R337 IonicContact OE2-NE 2.94Å; E332-R337 PolarHBondContact OE2-NE 2.03Å; E332-R337 IonicContact OE2-NH2 2.92Å; E332-R337 PolarHBondContact OE2-NH2 3.15Å
338	K	82.1	Confident	74.7	Confident	93 Å²	93	63.5 Å²	63.5	40%	0.404	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.3	176.4	-72.5	-57.6	-156.4	151.1	0	110.1	Q321 C322 S336 E342 V344	Q321-K338 CarbonylContact C-O 3.59Å; Q321-K338 VanDerWaalsContact CA-O 3.23Å; Q321-K338 WeakPolarHBondContact CA-O 3.28Å; C322-K338 PolarHBondContact N-O 3.17Å; C322-K338 PolarHBondContact O-N 3.38Å; S336-K338 PolarHBondContact O-N 3.45Å; K338-E342 HydrophobicContact CB-CB 4.46Å; K338-E342 WeakPolarHBondContact CD-OE2 3.35Å; K338-E342 IonicContact NZ-OE2 2.85Å; K338-E342 PolarHBondContact NZ-OE2 3.46Å; K338-V344 HydrophobicContact CB-CG2 3.73Å; K338-V344 HydrophobicContact CG-CG2 4.36Å
339	P	81.8	Confident	73.5	Confident	45 Å²	45	70.1 Å²	70.1	29%	0.292	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	149.8	173.6	28.7	-33.3	0	0	0	110.3	G320 T341 E342	G320-P339 CarbonylContact O-C 3.6Å; G320-P339 WeakPolarHBondContact O-CA 3.41Å; P339-T341 PolarHBondContact O-N 3.31Å; P339-E342 HydrophobicContact CG-CB 4Å; P339-E342 HydrophobicContact CG-CG 3.78Å; P339-E342 WeakPolarHBondContact CG-OE1 3.32Å; P339-E342 PolarHBondContact O-N 2.85Å; P339-E342 VanDerWaalsContact O-O 3.06Å
340	V	79	Confident	72.7	Confident	64 Å²	64	75.2 Å²	75.2	39%	0.388	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-22.5	178.7	170	0	0	0	0	112.5	Y317 G320 E342	Y317-V340 HydrophobicContact CD1-CG1 4.47Å; Y317-V340 HydrophobicContact CD1-CG2 4.25Å; Y317-V340 HydrophobicContact CE1-CG1 4.28Å; Y317-V340 HydrophobicContact CE1-CG2 4.44Å; G320-V340 WeakPolarHBondContact O-CG2 3.45Å; G320-V340 PolarHBondContact O-N 2.8Å; V340-E342 PolarHBondContact O-N 2.72Å
341	T	75.2	Confident	71.4	Confident	134 Å²	134	79.7 Å²	79.7	82%	0.822	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-17.2	173.7	55.6	0	0	0	0	113.7	P339	P339-T341 PolarHBondContact O-N 3.31Å
342	E	75.1	Confident	70.1	Confident	91 Å²	91	80 Å²	80	43%	0.425	45%	0.449	S	S	.	.	S	Bend	trans	-107.6	133.4	178	-72.6	177.4	-147.4	0	0	109.8	K338 P339 V340 V344	K338-E342 HydrophobicContact CB-CB 4.46Å; K338-E342 WeakPolarHBondContact CD-OE2 3.35Å; K338-E342 IonicContact NZ-OE2 2.85Å; K338-E342 PolarHBondContact NZ-OE2 3.46Å; P339-E342 HydrophobicContact CG-CB 4Å; P339-E342 HydrophobicContact CG-CG 3.78Å; P339-E342 WeakPolarHBondContact CG-OE1 3.32Å; P339-E342 PolarHBondContact O-N 2.85Å; P339-E342 VanDerWaalsContact O-O 3.06Å; V340-E342 PolarHBondContact O-N 2.72Å; E342-V344 PolarHBondContact O-N 2.92Å
343	E	72.2	Confident	69.2	Low	132 Å²	132	78.4 Å²	78.4	62%	0.617	44%	0.442	S	S	*	.			trans	-66.6	125.4	175.7	-170.6	176.8	-178.2	0	0	110.7	V345	E343-V345 HydrophobicContact CG-CG2 4.46Å; E343-V345 PolarHBondContact O-N 2.96Å
344	V	78	Confident	68.7	Low	21 Å²	21	77.9 Å²	77.9	13%	0.127	44%	0.44	C	S	.	.			trans	-87.7	105.5	178	-172	0	0	0	0	109	V313 C322 K338 E342	V313-V344 HydrophobicContact CG1-CB 4.28Å; C322-V344 HydrophobicContact CB-CB 4.45Å; C322-V344 HydrophobicContact CB-CG2 3.38Å; K338-V344 HydrophobicContact CB-CG2 3.73Å; K338-V344 HydrophobicContact CG-CG2 4.36Å; E342-V344 PolarHBondContact O-N 2.92Å
345	V	73.7	Confident	69.1	Low	94 Å²	94	77.2 Å²	77.2	57%	0.57	43%	0.428	S	S	*	.			trans	-92.8	108.4	178.2	-172.3	0	0	0	0	109.5	E343 G347	E343-V345 HydrophobicContact CG-CG2 4.46Å; E343-V345 PolarHBondContact O-N 2.96Å; V345-G347 VanDerWaalsContact CG1-O 3.31Å; V345-G347 WeakPolarHBondContact CG1-O 3.28Å
346	C	76.7	Confident	69.6	Low	19 Å²	19	67.2 Å²	67.2	13%	0.128	39%	0.385	C	S	.	.			trans	-93	115.4	169.2	-51.3	0	0	0	0	108.4	L312 V313 C324 V358	L312-C346 HydrophobicContact CD1-CB 4.28Å; L312-C346 HydrophobicContact CD2-CB 3.71Å; L312-C346 HydrophobicContact CG-CB 3.84Å; V313-C346 VanDerWaalsContact CG2-SG 3.56Å; C324-C346 VanDerWaalsContact CA-SG 3.6Å; C324-C346 HydrophobicContact CB-CB 4.04Å; C324-C346 WeakPolarHBondContact CB-SG 3.06Å; C324-C346 WeakPolarHBondContact SG-CA 3.01Å; C324-C346 WeakPolarHBondContact SG-CB 3.43Å; C324-C346 CovalentContact SG-SG 2.03Å; C324-C346 PolarHBondContact SG-SG 3.39Å; C346-V358 HydrophobicContact CB-CG2 4.36Å; C346-V358 WeakPolarHBondContact O-CG2 3.41Å
347	G	66.7	Low	69.8	Low	13 Å²	13	66.7 Å²	66.7	13%	0.134	38%	0.381	C	S	.	.	S	Bend	trans	98.8	153.5	-170	0	0	0	0	0	114.4	V345 S354	V345-G347 VanDerWaalsContact CG1-O 3.31Å; V345-G347 WeakPolarHBondContact CG1-O 3.28Å; G347-S354 PolarHBondContact N-OG 3.28Å
348	G	56.1	Low	69.8	Low	31 Å²	31	62.5 Å²	62.5	32%	0.32	37%	0.367	S	S	.	.	S	Bend	trans	134.6	-174.2	-176	0	0	0	0	0	117.4	N350 I353	G348-N350 PolarHBondContact O-N 3.46Å; G348-I353 VanDerWaalsContact C-CD1 3.4Å; G348-I353 VanDerWaalsContact N-CG2 3.28Å; G348-I353 WeakPolarHBondContact O-CD1 3.43Å
349	N	44.6	Very low	69.8	Low	153 Å²	153	60.5 Å²	60.5	82%	0.818	36%	0.36	S	S	*	.	S	Bend	trans	-84.8	2.4	-167.6	-73.2	-21.5	0	0	0	117.2
350	N	49.8	Very low	69.9	Low	118 Å²	118	58.5 Å²	58.5	63%	0.631	35%	0.346	S	S	*	.	S	Bend	trans	-86.7	132.7	177.4	-132.8	-15.2	0	0	0	110	G348 A352 I353	G348-N350 PolarHBondContact O-N 3.46Å; N350-A352 PolarHBondContact O-N 2.98Å; N350-I353 HydrophobicContact CB-CD1 3.35Å; N350-I353 HydrophobicContact CB-CG1 3.76Å; N350-I353 VanDerWaalsContact N-CD1 3.3Å; N350-I353 WeakPolarHBondContact O-CB 3.49Å; N350-I353 WeakPolarHBondContact O-CD1 3.05Å; N350-I353 WeakPolarHBondContact O-CG1 3.27Å; N350-I353 PolarHBondContact O-N 2.89Å
351	P	46.9	Very low	69.9	Low	111 Å²	111	55.9 Å²	55.9	72%	0.721	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	2.4	-174.8	22.3	-32.9	0	0	0	116.4
352	A	48	Very low	70.1	Confident	79 Å²	79	52.3 Å²	52.3	65%	0.653	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	16.8	176.9	0	0	0	0	0	113.4	N350	N350-A352 PolarHBondContact O-N 2.98Å
353	I	59.9	Low	70.3	Confident	30 Å²	30	48.7 Å²	48.7	15%	0.154	29%	0.289	C	S	.	.			trans	-99.5	148	-163.1	-77.1	-176.7	0	0	0	114.3	G348 N350 V355	G348-I353 VanDerWaalsContact C-CD1 3.4Å; G348-I353 VanDerWaalsContact N-CG2 3.28Å; G348-I353 WeakPolarHBondContact O-CD1 3.43Å; N350-I353 HydrophobicContact CB-CD1 3.35Å; N350-I353 HydrophobicContact CB-CG1 3.76Å; N350-I353 VanDerWaalsContact N-CD1 3.3Å; N350-I353 WeakPolarHBondContact O-CB 3.49Å; N350-I353 WeakPolarHBondContact O-CD1 3.05Å; N350-I353 WeakPolarHBondContact O-CG1 3.27Å; N350-I353 PolarHBondContact O-N 2.89Å; I353-V355 HydrophobicContact CG2-CG2 4.33Å; I353-V355 PolarHBondContact O-N 3Å
354	S	66.5	Low	70.4	Confident	2 Å²	2	43 Å²	43	1%	0.014	26%	0.262	C	S	.	.			trans	-71	48.9	-177.8	38.4	0	0	0	0	116.2	Q333 G347 C356 F357 V358 G380	Q333-S354 VanDerWaalsContact CD-CB 3.49Å; Q333-S354 PolarHBondContact OE1-OG 3.4Å; G347-S354 PolarHBondContact N-OG 3.28Å; S354-C356 PolarHBondContact O-N 2.78Å; S354-F357 PolarHBondContact O-N 3.14Å; S354-F357 VanDerWaalsContact O-N 3.14Å; S354-V358 WeakPolarHBondContact O-CG2 3.37Å; S354-V358 PolarHBondContact O-N 3.04Å; S354-V358 VanDerWaalsContact O-N 3.14Å; S354-G380 CarbonylContact C-O 3.51Å; S354-G380 VanDerWaalsContact C-O 3.29Å; S354-G380 VanDerWaalsContact CA-O 3.3Å; S354-G380 WeakPolarHBondContact CA-O 3.31Å
355	V	80.8	Confident	70.1	Confident	57 Å²	57	45.9 Å²	45.9	35%	0.345	28%	0.277	S	S	.	.	H	α-helix	trans	-54	-41.2	179.5	-172.8	0	0	0	0	111.4	I353 Q359 G380 Y382	I353-V355 HydrophobicContact CG2-CG2 4.33Å; I353-V355 PolarHBondContact O-N 3Å; V355-Q359 PolarHBondContact O-N 3.47Å; V355-Q359 VanDerWaalsContact O-N 3.16Å; V355-G380 PolarHBondContact N-O 3.22Å; V355-Y382 HydrophobicContact CB-CE2 4.24Å; V355-Y382 HydrophobicContact CG1-CE2 3.99Å
356	C	83.6	Confident	70.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-68.4	-43.8	179.6	-172.4	0	0	0	0	112.2	S354 V358 Q359 K360 N375 C376 G380 Y382	S354-C356 PolarHBondContact O-N 2.78Å; C356-V358 VanDerWaalsContact C-N 3.29Å; C356-V358 PolarHBondContact O-N 3.15Å; C356-Q359 PolarHBondContact O-N 3.26Å; C356-K360 VanDerWaalsContact O-CB 3.27Å; C356-K360 WeakPolarHBondContact O-CB 3.15Å; C356-K360 PolarHBondContact O-N 3.35Å; C356-N375 PolarHBondContact SG-O 3.23Å; C356-N375 VanDerWaalsContact SG-O 3.34Å; C356-C376 HydrophobicContact CB-CB 3.74Å; C356-C376 WeakPolarHBondContact CB-SG 3.04Å; C356-C376 PolarHBondContact O-SG 3.31Å; C356-C376 VanDerWaalsContact O-SG 3.37Å; C356-C376 WeakPolarHBondContact SG-CA 3.48Å; C356-C376 WeakPolarHBondContact SG-CB 3.11Å; C356-C376 CovalentContact SG-SG 2.03Å; C356-C376 PolarHBondContact SG-SG 3.42Å; C356-G380 WeakPolarHBondContact CB-O 3.33Å; C356-G380 PolarHBondContact N-O 3.42Å; C356-Y382 HydrophobicContact CB-CD1 3.91Å; C356-Y382 HydrophobicContact CB-CD2 4.21Å; C356-Y382 HydrophobicContact CB-CE1 4.04Å; C356-Y382 HydrophobicContact CB-CE2 4.32Å; C356-Y382 HydrophobicContact CB-CG 4.01Å
357	F	84.1	Confident	69.1	Low	2 Å²	2	51.5 Å²	51.5	1%	0.009	30%	0.304	C	S	.	.	H	α-helix	trans	-62.6	-38.2	-179.7	-65.5	-8.9	0	0	0	112	L312 D326 Q333 S354 K360 A361 C376 L377	L312-F357 HydrophobicContact CD1-CB 3.75Å; D326-F357 HydrophobicContact CB-CD1 4.14Å; D326-F357 HydrophobicContact CB-CE1 3.71Å; D326-F357 HydrophobicContact CB-CE2 4.23Å; D326-F357 HydrophobicContact CB-CZ 3.77Å; Q333-F357 HydrophobicContact CB-CD2 4.31Å; Q333-F357 HydrophobicContact CB-CE2 3.72Å; Q333-F357 HydrophobicContact CG-CE2 4.11Å; S354-F357 PolarHBondContact O-N 3.14Å; S354-F357 VanDerWaalsContact O-N 3.14Å; F357-K360 PolarHBondContact O-N 2.7Å; F357-A361 WeakPolarHBondContact O-CB 3.48Å; F357-A361 PolarHBondContact O-N 3.39Å; F357-C376 HydrophobicContact CD1-CB 3.46Å; F357-C376 VanDerWaalsContact CD1-CB 3.46Å; F357-C376 HydrophobicContact CE1-CB 3.42Å; F357-C376 VanDerWaalsContact CE1-CB 3.42Å; F357-L377 VanDerWaalsContact CE1-O 3.28Å; F357-L377 WeakPolarHBondContact CE1-O 3.27Å; F357-L377 WeakPolarHBondContact CZ-O 3.38Å
358	V	84.4	Confident	68.6	Low	23 Å²	23	57.4 Å²	57.4	14%	0.139	33%	0.332	C	S	.	.	H	α-helix	trans	-64.5	-48.9	176.9	176.6	0	0	0	0	110.8	L312 C346 S354 C356 K360 A361 Q362	L312-V358 HydrophobicContact CD2-CG2 3.96Å; C346-V358 HydrophobicContact CB-CG2 4.36Å; C346-V358 WeakPolarHBondContact O-CG2 3.41Å; S354-V358 WeakPolarHBondContact O-CG2 3.37Å; S354-V358 PolarHBondContact O-N 3.04Å; S354-V358 VanDerWaalsContact O-N 3.14Å; C356-V358 VanDerWaalsContact C-N 3.29Å; C356-V358 PolarHBondContact O-N 3.15Å; V358-K360 VanDerWaalsContact C-N 3.3Å; V358-K360 PolarHBondContact O-N 3Å; V358-A361 WeakPolarHBondContact O-CB 3.29Å; V358-A361 PolarHBondContact O-N 3.29Å; V358-Q362 WeakPolarHBondContact O-CG 3.49Å; V358-Q362 PolarHBondContact O-N 2.92Å; V358-Q362 VanDerWaalsContact O-N 3.1Å
359	Q	83.3	Confident	68.5	Low	52 Å²	52	58 Å²	58	24%	0.243	33%	0.331	C	S	.	.	H	α-helix	trans	-60.9	-42.3	177	-176.4	-177.4	-16.7	0	0	111.4	V355 C356 A361 Q362 Q363 P374 Y382	V355-Q359 PolarHBondContact O-N 3.47Å; V355-Q359 VanDerWaalsContact O-N 3.16Å; C356-Q359 PolarHBondContact O-N 3.26Å; Q359-A361 VanDerWaalsContact C-N 3.35Å; Q359-A361 PolarHBondContact O-N 3.09Å; Q359-Q362 PolarHBondContact O-N 2.85Å; Q359-Q363 VanDerWaalsContact NE2-NE2 3.14Å; Q359-Q363 WeakPolarHBondContact O-CG 3.34Å; Q359-Q363 PolarHBondContact O-N 3.08Å; Q359-Q363 VanDerWaalsContact O-N 3.11Å; Q359-P374 HydrophobicContact CB-CG 4.36Å; Q359-P374 HydrophobicContact CG-CG 4.07Å; Q359-Y382 VanDerWaalsContact OE1-CE1 3.26Å; Q359-Y382 VanDerWaalsContact OE1-CZ 3.29Å; Q359-Y382 PolarHBondContact OE1-OH 2.8Å
360	K	82.5	Confident	68.9	Low	2 Å²	2	60.1 Å²	60.1	1%	0.009	33%	0.333	C	S	.	.	H	α-helix	trans	-60.2	-44	177.5	-167	179.4	-177.7	-175.2	0	111.5	D326 V327 E328 C356 F357 V358 Q362 Q363 L364 V373 P374	D326-K360 VanDerWaalsContact CG-NZ 3.34Å; D326-K360 VanDerWaalsContact OD1-CD 3.27Å; D326-K360 WeakPolarHBondContact OD1-CD 3.18Å; D326-K360 IonicContact OD1-NZ 3.43Å; D326-K360 PolarHBondContact OD1-NZ 3.24Å; D326-K360 IonicContact OD2-NZ 2.69Å; D326-K360 PolarHBondContact OD2-NZ 2.91Å; V327-K360 HydrophobicContact CG2-CB 4.32Å; V327-K360 HydrophobicContact CG2-CD 4.17Å; V327-K360 HydrophobicContact CG2-CG 3.93Å; E328-K360 WeakPolarHBondContact OE2-CE 3.49Å; E328-K360 IonicContact OE2-NZ 3.17Å; E328-K360 PolarHBondContact OE2-NZ 2.81Å; C356-K360 VanDerWaalsContact O-CB 3.27Å; C356-K360 WeakPolarHBondContact O-CB 3.15Å; C356-K360 PolarHBondContact O-N 3.35Å; F357-K360 PolarHBondContact O-N 2.7Å; V358-K360 VanDerWaalsContact C-N 3.3Å; V358-K360 PolarHBondContact O-N 3Å; K360-Q362 PolarHBondContact O-N 3.16Å; K360-Q363 PolarHBondContact O-N 3.35Å; K360-L364 HydrophobicContact CG-CD1 4.09Å; K360-L364 WeakPolarHBondContact O-CB 3.45Å; K360-L364 WeakPolarHBondContact O-CG 3.39Å; K360-L364 PolarHBondContact O-N 2.94Å; K360-V373 HydrophobicContact CD-CG1 4.31Å; K360-V373 HydrophobicContact CG-CG1 3.55Å; K360-P374 HydrophobicContact CB-CG 4.24Å
361	A	79.8	Confident	69.6	Low	10 Å²	10	60.6 Å²	60.6	8%	0.083	33%	0.332	C	S	.	.	H	α-helix	trans	-61.3	-41.4	176.9	0	0	0	0	0	113	L312 V327 F357 V358 Q359 N365	L312-A361 HydrophobicContact CB-CB 4.33Å; L312-A361 HydrophobicContact CD1-CB 4.44Å; L312-A361 HydrophobicContact CD2-CB 4.41Å; V327-A361 HydrophobicContact CG1-CB 3.54Å; V327-A361 HydrophobicContact CG2-CB 4.32Å; F357-A361 WeakPolarHBondContact O-CB 3.48Å; F357-A361 PolarHBondContact O-N 3.39Å; V358-A361 WeakPolarHBondContact O-CB 3.29Å; V358-A361 PolarHBondContact O-N 3.29Å; Q359-A361 VanDerWaalsContact C-N 3.35Å; Q359-A361 PolarHBondContact O-N 3.09Å; A361-N365 WeakPolarHBondContact O-CB 3.42Å; A361-N365 VanDerWaalsContact O-CG 3.31Å; A361-N365 PolarHBondContact O-N 3.48Å; A361-N365 PolarHBondContact O-ND2 2.78Å
362	Q	79.7	Confident	70.8	Confident	58 Å²	58	56.6 Å²	56.6	27%	0.271	31%	0.307	S	S	.	.	H	α-helix	trans	-63.5	-51.8	177.6	-70.5	164.1	0.5	0	0	111.1	Y45 V358 Q359 K360 L364 N365 E366	Y45-Q362 HydrophobicContact CE2-CG 4.41Å; Y45-Q362 PolarHBondContact OH-NE2 3.28Å; V358-Q362 WeakPolarHBondContact O-CG 3.49Å; V358-Q362 PolarHBondContact O-N 2.92Å; V358-Q362 VanDerWaalsContact O-N 3.1Å; Q359-Q362 PolarHBondContact O-N 2.85Å; K360-Q362 PolarHBondContact O-N 3.16Å; Q362-L364 VanDerWaalsContact C-N 3.3Å; Q362-L364 PolarHBondContact O-N 3.06Å; Q362-N365 PolarHBondContact O-N 2.8Å; Q362-N365 VanDerWaalsContact O-N 3.1Å; Q362-E366 WeakPolarHBondContact O-CG 3.43Å; Q362-E366 PolarHBondContact O-N 3.3Å
363	Q	79.2	Confident	72.3	Confident	16 Å²	16	54.1 Å²	54.1	8%	0.075	28%	0.283	C	S	.	.	H	α-helix	trans	-65	-33.7	-177.4	-68.2	-175.6	0.9	0	0	112.7	Q359 K360 S372 V373	Q359-Q363 VanDerWaalsContact NE2-NE2 3.14Å; Q359-Q363 WeakPolarHBondContact O-CG 3.34Å; Q359-Q363 PolarHBondContact O-N 3.08Å; Q359-Q363 VanDerWaalsContact O-N 3.11Å; K360-Q363 PolarHBondContact O-N 3.35Å; Q363-S372 PolarHBondContact OE1-O 2.7Å; Q363-S372 VanDerWaalsContact OE1-O 3.09Å; Q363-V373 HydrophobicContact CB-CG2 4.47Å; Q363-V373 VanDerWaalsContact OE1-CA 3.24Å
364	L	74.8	Confident	73.4	Confident	13 Å²	13	53 Å²	53	7%	0.068	28%	0.278	C	S	.	.	H	α-helix	trans	-79.8	-18.6	175.6	-72.4	176.5	0	0	0	113.7	R307 Y309 V327 E328 K360 Q362 V373	R307-L364 VanDerWaalsContact CD-O 3.26Å; R307-L364 WeakPolarHBondContact CD-O 3.45Å; R307-L364 PolarHBondContact NH1-O 3.28Å; Y309-L364 HydrophobicContact CD1-CD1 4.19Å; Y309-L364 HydrophobicContact CD2-CB 4.33Å; Y309-L364 HydrophobicContact CE1-CD1 4.14Å; Y309-L364 HydrophobicContact CE1-CD2 4.32Å; Y309-L364 HydrophobicContact CE2-CB 4.34Å; Y309-L364 HydrophobicContact CE2-CD2 4.18Å; V327-L364 HydrophobicContact CG2-CD1 3.72Å; E328-L364 HydrophobicContact CB-CD1 4.49Å; K360-L364 HydrophobicContact CG-CD1 4.09Å; K360-L364 WeakPolarHBondContact O-CB 3.45Å; K360-L364 WeakPolarHBondContact O-CG 3.39Å; K360-L364 PolarHBondContact O-N 2.94Å; Q362-L364 VanDerWaalsContact C-N 3.3Å; Q362-L364 PolarHBondContact O-N 3.06Å; L364-V373 HydrophobicContact CD1-CG1 4.24Å; L364-V373 HydrophobicContact CD2-CG1 4.27Å; L364-V373 HydrophobicContact CD2-CG2 3.75Å; L364-V373 HydrophobicContact CG-CG1 4.04Å; L364-V373 HydrophobicContact CG-CG2 4.16Å
365	N	71.3	Confident	74	Confident	81 Å²	81	53.3 Å²	53.3	43%	0.433	28%	0.28	S	S	.	.	H	α-helix	trans	-83.6	-28.8	171.4	-79.7	-16.8	0	0	0	112.1	N305 A361 Q362	N305-N365 PolarHBondContact ND2-OD1 3.34Å; A361-N365 WeakPolarHBondContact O-CB 3.42Å; A361-N365 VanDerWaalsContact O-CG 3.31Å; A361-N365 PolarHBondContact O-N 3.48Å; A361-N365 PolarHBondContact O-ND2 2.78Å; Q362-N365 PolarHBondContact O-N 2.8Å; Q362-N365 VanDerWaalsContact O-N 3.1Å
366	E	72.8	Confident	73.9	Confident	105 Å²	105	51.6 Å²	51.6	49%	0.491	27%	0.27	S	S	.	.			trans	-75.1	135.1	178.2	-70.8	171.3	-165.6	0	0	112	R307 Q362	R307-E366 PolarHBondContact NH1-O 3.46Å; Q362-E366 WeakPolarHBondContact O-CG 3.43Å; Q362-E366 PolarHBondContact O-N 3.3Å
367	T	57.1	Low	73.3	Confident	126 Å²	126	54.2 Å²	54.2	77%	0.773	28%	0.284	S	S	*	.	S	Bend	trans	-78.8	-27.4	-174.3	39.6	0	0	0	0	114.4
368	D	56.1	Low	72.4	Confident	136 Å²	136	59 Å²	59	73%	0.727	31%	0.309	S	S	*	.	S	Bend	trans	-124.1	17.5	-166.8	-153	16.7	0	0	0	113.3	K370	D368-K370 PolarHBondContact O-N 3.03Å
369	S	52.6	Low	71.5	Confident	43 Å²	43	60.1 Å²	60.1	30%	0.301	32%	0.318	S	S	.	.			trans	-72.7	101.8	177.3	-160.2	0	0	0	0	109.6	Q371	S369-Q371 PolarHBondContact O-N 2.8Å; S369-Q371 VanDerWaalsContact O-N 3.1Å; S369-Q371 WeakPolarHBondContact OG-CB 3.15Å
370	K	54.4	Low	71	Confident	198 Å²	198	57.7 Å²	57.7	86%	0.861	31%	0.307	S	S	*	.			trans	-66.6	2.2	166.2	-66.1	-178.6	-177.8	174.3	0	112.6	D368	D368-K370 PolarHBondContact O-N 3.03Å
371	Q	64.5	Low	70.8	Confident	128 Å²	128	59.1 Å²	59.1	60%	0.598	31%	0.314	S	S	*	.	S	Bend	trans	-87	135	-176.2	-162.1	166	9.8	0	0	110.4	S369 V373	S369-Q371 PolarHBondContact O-N 2.8Å; S369-Q371 VanDerWaalsContact O-N 3.1Å; S369-Q371 WeakPolarHBondContact OG-CB 3.15Å; Q371-V373 PolarHBondContact O-N 2.82Å
372	S	71.3	Confident	70.7	Confident	28 Å²	28	59.3 Å²	59.3	20%	0.196	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-61.7	125.2	177	172.5	0	0	0	0	111.1	Q363 C387	Q363-S372 PolarHBondContact OE1-O 2.7Å; Q363-S372 VanDerWaalsContact OE1-O 3.09Å; S372-C387 PolarHBondContact OG-O 3.5Å
373	V	79.1	Confident	70.6	Confident	27 Å²	27	57.2 Å²	57.2	16%	0.164	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-60.9	124.9	174.6	-179.3	0	0	0	0	109.8	K360 Q363 L364 Q371	K360-V373 HydrophobicContact CD-CG1 4.31Å; K360-V373 HydrophobicContact CG-CG1 3.55Å; Q363-V373 HydrophobicContact CB-CG2 4.47Å; Q363-V373 VanDerWaalsContact OE1-CA 3.24Å; L364-V373 HydrophobicContact CD1-CG1 4.24Å; L364-V373 HydrophobicContact CD2-CG1 4.27Å; L364-V373 HydrophobicContact CD2-CG2 3.75Å; L364-V373 HydrophobicContact CG-CG1 4.04Å; L364-V373 HydrophobicContact CG-CG2 4.16Å; Q371-V373 PolarHBondContact O-N 2.82Å
374	P	83.2	Confident	70.5	Confident	7 Å²	7	57.5 Å²	57.5	5%	0.045	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-71.2	142.3	-178.1	28.8	-36.1	0	0	0	111.9	Q359 K360 Y382	Q359-P374 HydrophobicContact CB-CG 4.36Å; Q359-P374 HydrophobicContact CG-CG 4.07Å; K360-P374 HydrophobicContact CB-CG 4.24Å; P374-Y382 HydrophobicContact CB-CD1 4.13Å; P374-Y382 HydrophobicContact CB-CE1 4.08Å
375	N	79.5	Confident	70.7	Confident	8 Å²	8	58.2 Å²	58.2	4%	0.043	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-80	132.3	169.1	-66.8	-15.2	0	0	0	109.9	S132 C356 A383 Q386	S132-N375 WeakPolarHBondContact CB-OD1 3.14Å; S132-N375 PolarHBondContact OG-OD1 3.11Å; C356-N375 PolarHBondContact SG-O 3.23Å; C356-N375 VanDerWaalsContact SG-O 3.34Å; N375-A383 HydrophobicContact CB-CB 3.69Å; N375-A383 WeakPolarHBondContact O-CB 3.44Å; N375-A383 PolarHBondContact O-N 3.1Å; N375-Q386 PolarHBondContact O-NE2 2.83Å
376	C	77.8	Confident	71.2	Confident	20 Å²	20	54.7 Å²	54.7	14%	0.135	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-117.8	149.5	-177.3	-52.7	0	0	0	0	111.9	C356 F357 L381	C356-C376 HydrophobicContact CB-CB 3.74Å; C356-C376 WeakPolarHBondContact CB-SG 3.04Å; C356-C376 PolarHBondContact O-SG 3.31Å; C356-C376 VanDerWaalsContact O-SG 3.37Å; C356-C376 WeakPolarHBondContact SG-CA 3.48Å; C356-C376 WeakPolarHBondContact SG-CB 3.11Å; C356-C376 CovalentContact SG-SG 2.03Å; C356-C376 PolarHBondContact SG-SG 3.42Å; F357-C376 HydrophobicContact CD1-CB 3.46Å; F357-C376 VanDerWaalsContact CD1-CB 3.46Å; F357-C376 HydrophobicContact CE1-CB 3.42Å; F357-C376 VanDerWaalsContact CE1-CB 3.42Å; C376-L381 CarbonylContact C-O 3.46Å; C376-L381 WeakPolarHBondContact CA-O 3.05Å
377	L	71.5	Confident	71.3	Confident	56 Å²	56	49.9 Å²	49.9	29%	0.293	27%	0.271	S	S	.	.			trans	-84	159.8	168.2	-63.2	173.7	0	0	0	109.9	F357 S379 G380 L381 A383 E399	F357-L377 VanDerWaalsContact CE1-O 3.28Å; F357-L377 WeakPolarHBondContact CE1-O 3.27Å; F357-L377 WeakPolarHBondContact CZ-O 3.38Å; L377-S379 WeakPolarHBondContact CB-OG 3.26Å; L377-S379 PolarHBondContact O-N 3.42Å; L377-G380 WeakPolarHBondContact O-CA 3.29Å; L377-G380 PolarHBondContact O-N 3.13Å; L377-L381 HydrophobicContact CD1-CB 4.42Å; L377-L381 PolarHBondContact N-O 2.74Å; L377-A383 HydrophobicContact CD2-CB 4.44Å; L377-E399 HydrophobicContact CD1-CG 3.98Å; L377-E399 VanDerWaalsContact CD1-OE1 3.26Å; L377-E399 WeakPolarHBondContact CD1-OE1 3.48Å
378	N	66.5	Low	72.4	Confident	102 Å²	102	45.7 Å²	45.7	55%	0.545	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-14.5	175.2	-59.3	5	0	0	0	113.7	Q333 A334	Q333-N378 WeakPolarHBondContact CA-O 3.39Å; A334-N378 PolarHBondContact N-O 3.33Å
379	S	65.6	Low	72.9	Confident	47 Å²	47	39.4 Å²	39.4	33%	0.329	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-10.4	171.2	52.7	0	0	0	0	113.1	Q333 L377 L381	Q333-S379 PolarHBondContact NE2-O 3.13Å; L377-S379 WeakPolarHBondContact CB-OG 3.26Å; L377-S379 PolarHBondContact O-N 3.42Å; S379-L381 VanDerWaalsContact C-N 3.27Å; S379-L381 WeakPolarHBondContact OG-CB 3.45Å
380	G	71.2	Confident	73.7	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	81.3	2.9	-171.4	0	0	0	0	0	114.2	S354 V355 C356 L377	S354-G380 CarbonylContact C-O 3.51Å; S354-G380 VanDerWaalsContact C-O 3.29Å; S354-G380 VanDerWaalsContact CA-O 3.3Å; S354-G380 WeakPolarHBondContact CA-O 3.31Å; V355-G380 PolarHBondContact N-O 3.22Å; C356-G380 WeakPolarHBondContact CB-O 3.33Å; C356-G380 PolarHBondContact N-O 3.42Å; L377-G380 WeakPolarHBondContact O-CA 3.29Å; L377-G380 PolarHBondContact O-N 3.13Å
381	L	79.6	Confident	74.7	Confident	32 Å²	32	32.5 Å²	32.5	17%	0.168	20%	0.199	C	C	.	.	S	Bend	trans	-82.9	166.6	174	-62.9	-179.8	0	0	0	111.3	C376 L377 S379 E399	C376-L381 CarbonylContact C-O 3.46Å; C376-L381 WeakPolarHBondContact CA-O 3.05Å; L377-L381 HydrophobicContact CD1-CB 4.42Å; L377-L381 PolarHBondContact N-O 2.74Å; S379-L381 VanDerWaalsContact C-N 3.27Å; S379-L381 WeakPolarHBondContact OG-CB 3.45Å; L381-E399 HydrophobicContact CB-CG 3.83Å; L381-E399 WeakPolarHBondContact CB-O 3.46Å; L381-E399 HydrophobicContact CD1-CG 3.92Å; L381-E399 HydrophobicContact CG-CG 4.49Å
382	Y	77.4	Confident	75.1	Confident	14 Å²	14	27.8 Å²	27.8	6%	0.055	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-71.8	136	177.4	-64.8	-91	0	0	0	110.8	V355 C356 Q359 P374 E399 G402	V355-Y382 HydrophobicContact CB-CE2 4.24Å; V355-Y382 HydrophobicContact CG1-CE2 3.99Å; C356-Y382 HydrophobicContact CB-CD1 3.91Å; C356-Y382 HydrophobicContact CB-CD2 4.21Å; C356-Y382 HydrophobicContact CB-CE1 4.04Å; C356-Y382 HydrophobicContact CB-CE2 4.32Å; C356-Y382 HydrophobicContact CB-CG 4.01Å; Q359-Y382 VanDerWaalsContact OE1-CE1 3.26Å; Q359-Y382 VanDerWaalsContact OE1-CZ 3.29Å; Q359-Y382 PolarHBondContact OE1-OH 2.8Å; P374-Y382 HydrophobicContact CB-CD1 4.13Å; P374-Y382 HydrophobicContact CB-CE1 4.08Å; Y382-E399 PolarHBondContact N-O 3.2Å; Y382-G402 VanDerWaalsContact CG-CA 3.48Å
383	A	76.6	Confident	75.6	Confident	15 Å²	15	28.4 Å²	28.4	12%	0.124	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-60.5	133.4	166.1	0	0	0	0	0	108.8	N375 L377 L385 Q386 V397	N375-A383 HydrophobicContact CB-CB 3.69Å; N375-A383 WeakPolarHBondContact O-CB 3.44Å; N375-A383 PolarHBondContact O-N 3.1Å; L377-A383 HydrophobicContact CD2-CB 4.44Å; A383-L385 PolarHBondContact O-N 3.42Å; A383-L385 VanDerWaalsContact O-N 3.14Å; A383-Q386 PolarHBondContact O-NE2 2.03Å; A383-V397 WeakPolarHBondContact O-CG2 3.32Å
384	P	77.8	Confident	75.6	Confident	21 Å²	21	27.2 Å²	27.2	14%	0.136	17%	0.173	C	C	.	.	S	Bend	trans	-59.2	-30	-177.4	-25.8	32.8	0	0	0	113.7	C396 V397 C419 N420	P384-C396 CarbonylContact O-C 3.56Å; P384-C396 WeakPolarHBondContact O-CA 2.91Å; P384-V397 PolarHBondContact O-N 3.44Å; P384-C419 HydrophobicContact CB-CB 3.9Å; P384-C419 WeakPolarHBondContact O-CB 3.35Å; P384-C419 PolarHBondContact O-SG 3.48Å; P384-C419 VanDerWaalsContact O-SG 3.41Å; P384-N420 HydrophobicContact CB-CB 4.16Å; P384-N420 VanDerWaalsContact CB-CG 3.47Å; P384-N420 HydrophobicContact CG-CB 4.36Å; P384-N420 VanDerWaalsContact CG-CG 3.47Å; P384-N420 WeakPolarHBondContact CG-ND2 3.41Å
385	L	78.8	Confident	75.6	Confident	29 Å²	29	28.4 Å²	28.4	15%	0.152	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	119.3	174.5	175.3	67.1	0	0	0	108.8	A383 C394 L416 P417 C419	A383-L385 PolarHBondContact O-N 3.42Å; A383-L385 VanDerWaalsContact O-N 3.14Å; L385-C394 HydrophobicContact CD1-CB 4.12Å; L385-L416 HydrophobicContact CD2-CD1 4.05Å; L385-L416 HydrophobicContact CD2-CD2 4.44Å; L385-P417 HydrophobicContact CD1-CG 3.65Å; L385-C419 HydrophobicContact CB-CB 4.16Å; L385-C419 VanDerWaalsContact CD1-SG 3.58Å
386	Q	82.3	Confident	75.7	Confident	7 Å²	7	28 Å²	28	3%	0.033	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	142.1	172.6	-63	-63.5	-30.6	0	0	108.9	N375 A383 C394 W395 V397	N375-Q386 PolarHBondContact O-NE2 2.83Å; A383-Q386 PolarHBondContact O-NE2 2.03Å; Q386-C394 CarbonylContact O-C 3.57Å; Q386-C394 VanDerWaalsContact O-CA 3.25Å; Q386-C394 WeakPolarHBondContact O-CA 3.13Å; Q386-W395 HydrophobicContact CB-CD2 4.14Å; Q386-W395 HydrophobicContact CB-CG 4.47Å; Q386-W395 HydrophobicContact CB-CH2 4.47Å; Q386-W395 HydrophobicContact CB-CZ2 3.71Å; Q386-W395 PolarHBondContact N-O 2.72Å; Q386-W395 PolarHBondContact O-N 2.88Å; Q386-W395 VanDerWaalsContact O-O 3.1Å; Q386-V397 HydrophobicContact CB-CG1 4.14Å; Q386-V397 HydrophobicContact CG-CB 4.14Å; Q386-V397 HydrophobicContact CG-CG1 3.5Å; Q386-V397 HydrophobicContact CG-CG2 3.48Å; Q386-V397 VanDerWaalsContact CG-CG2 3.48Å
387	C	75.1	Confident	75.7	Confident	3 Å²	3	27.2 Å²	27.2	2%	0.02	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	126.1	-180	-69.7	0	0	0	0	110	S372 F389 E393 C394	S372-C387 PolarHBondContact OG-O 3.5Å; C387-F389 HydrophobicContact CB-CD1 4.3Å; C387-F389 HydrophobicContact CB-CE1 3.74Å; C387-F389 HydrophobicContact CB-CE2 4.04Å; C387-F389 HydrophobicContact CB-CZ 3.61Å; C387-E393 CarbonylContact C-O 3.51Å; C387-E393 VanDerWaalsContact CA-O 3.3Å; C387-E393 WeakPolarHBondContact CA-O 2.96Å; C387-C394 HydrophobicContact CB-CB 4.16Å; C387-C394 WeakPolarHBondContact CB-SG 3.21Å; C387-C394 WeakPolarHBondContact SG-CB 2.89Å; C387-C394 CovalentContact SG-SG 2.05Å; C387-C394 PolarHBondContact SG-SG 2.83Å
388	D	78.8	Confident	76	Confident	38 Å²	38	27.6 Å²	27.6	20%	0.203	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	100.3	162.7	-175.8	-15.9	0	0	0	108	G390 A391 S392 E393 W395	D388-G390 VanDerWaalsContact C-N 3.31Å; D388-G390 VanDerWaalsContact OD1-CA 3.26Å; D388-G390 WeakPolarHBondContact OD1-CA 3.41Å; D388-G390 PolarHBondContact OD1-N 3.33Å; D388-A391 HydrophobicContact CB-CB 4.13Å; D388-A391 PolarHBondContact O-N 3.41Å; D388-A391 PolarHBondContact OD1-N 2.95Å; D388-A391 WeakPolarHBondContact OD2-CB 3.08Å; D388-S392 WeakPolarHBondContact O-CA 3.39Å; D388-S392 PolarHBondContact O-N 2.98Å; D388-E393 PolarHBondContact N-O 2.61Å; D388-E393 PolarHBondContact O-N 3.38Å; D388-W395 HydrophobicContact CB-CH2 3.76Å; D388-W395 HydrophobicContact CB-CZ3 3.65Å; D388-W395 VanDerWaalsContact N-CZ3 3.35Å
389	F	68.1	Low	76.6	Confident	5 Å²	5	25.5 Å²	25.5	2%	0.022	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-33.6	177.9	-58.9	-68.7	0	0	0	111.7	V81 R82 F85 L133 C387 A391 S392	V81-F389 HydrophobicContact CG1-CB 4.19Å; V81-F389 WeakPolarHBondContact CG1-O 3.39Å; R82-F389 HydrophobicContact CB-CB 3.97Å; R82-F389 HydrophobicContact CB-CD1 4.02Å; R82-F389 HydrophobicContact CB-CD2 4.02Å; R82-F389 HydrophobicContact CB-CG 3.72Å; R82-F389 HydrophobicContact CG-CD1 3.73Å; R82-F389 HydrophobicContact CG-CD2 3.98Å; R82-F389 HydrophobicContact CG-CE1 3.77Å; R82-F389 HydrophobicContact CG-CE2 4.02Å; R82-F389 HydrophobicContact CG-CG 3.83Å; R82-F389 HydrophobicContact CG-CZ 3.91Å; F85-F389 HydrophobicContact CB-CD1 4.22Å; F85-F389 AromaticContact CD1-CD1 3.63Å; F85-F389 HydrophobicContact CD1-CD1 3.63Å; F85-F389 AromaticContact CD1-CE1 3.8Å; F85-F389 HydrophobicContact CD1-CE1 3.8Å; F85-F389 HydrophobicContact CE1-CD1 4.27Å; F85-F389 HydrophobicContact CE1-CE1 4.17Å; F85-F389 HydrophobicContact CG-CD1 4.06Å; L133-F389 HydrophobicContact CD1-CD2 3.99Å; C387-F389 HydrophobicContact CB-CD1 4.3Å; C387-F389 HydrophobicContact CB-CE1 3.74Å; C387-F389 HydrophobicContact CB-CE2 4.04Å; C387-F389 HydrophobicContact CB-CZ 3.61Å; F389-A391 VanDerWaalsContact C-N 3.35Å; F389-A391 PolarHBondContact O-N 3.12Å; F389-S392 PolarHBondContact O-N 2.89Å; F389-S392 VanDerWaalsContact O-N 3.1Å
390	G	69.2	Low	77.1	Confident	61 Å²	61	31 Å²	31	63%	0.629	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-50	173.1	0	0	0	0	0	112.3	D388	D388-G390 VanDerWaalsContact C-N 3.31Å; D388-G390 VanDerWaalsContact OD1-CA 3.26Å; D388-G390 WeakPolarHBondContact OD1-CA 3.41Å; D388-G390 PolarHBondContact OD1-N 3.33Å
391	A	74.8	Confident	77.4	Confident	35 Å²	35	33.2 Å²	33.2	29%	0.289	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-12.5	176.8	0	0	0	0	0	114.1	D388 F389 E393 Y411	D388-A391 HydrophobicContact CB-CB 4.13Å; D388-A391 PolarHBondContact O-N 3.41Å; D388-A391 PolarHBondContact OD1-N 2.95Å; D388-A391 WeakPolarHBondContact OD2-CB 3.08Å; F389-A391 VanDerWaalsContact C-N 3.35Å; F389-A391 PolarHBondContact O-N 3.12Å; A391-E393 HydrophobicContact CB-CB 4.38Å; A391-E393 HydrophobicContact CB-CG 4.13Å; A391-Y411 WeakPolarHBondContact O-CE2 2.78Å
392	S	72.7	Confident	77.5	Confident	29 Å²	29	32.7 Å²	32.7	20%	0.203	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	44.4	-170.8	-58.2	0	0	0	0	113.4	D388 F389 K412	D388-S392 WeakPolarHBondContact O-CA 3.39Å; D388-S392 PolarHBondContact O-N 2.98Å; F389-S392 PolarHBondContact O-N 2.89Å; F389-S392 VanDerWaalsContact O-N 3.1Å; S392-K412 PolarHBondContact O-N 2.82Å
393	E	81.3	Confident	77.6	Confident	41 Å²	41	37.4 Å²	37.4	19%	0.192	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	138.2	-177	-71.8	179.4	-170.8	0	0	110.8	C387 D388 A391 W395 R409 Y411	C387-E393 CarbonylContact C-O 3.51Å; C387-E393 VanDerWaalsContact CA-O 3.3Å; C387-E393 WeakPolarHBondContact CA-O 2.96Å; D388-E393 PolarHBondContact N-O 2.61Å; D388-E393 PolarHBondContact O-N 3.38Å; A391-E393 HydrophobicContact CB-CB 4.38Å; A391-E393 HydrophobicContact CB-CG 4.13Å; E393-W395 HydrophobicContact CB-CE3 4.37Å; E393-W395 HydrophobicContact CB-CZ3 4.26Å; E393-R409 WeakPolarHBondContact OE2-CD 3.42Å; E393-R409 IonicContact OE2-CZ 2.9Å; E393-R409 IonicContact OE2-NH1 3.37Å; E393-R409 PolarHBondContact OE2-NH1 2.83Å; E393-Y411 HydrophobicContact CG-CD2 3.46Å; E393-Y411 VanDerWaalsContact CG-CD2 3.46Å; E393-Y411 HydrophobicContact CG-CE2 4.08Å; E393-Y411 HydrophobicContact CG-CG 4.45Å; E393-Y411 VanDerWaalsContact OE1-CD2 3.23Å; E393-Y411 WeakPolarHBondContact OE1-CD2 3.35Å
394	C	80.5	Confident	77.8	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.014	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144.1	169.1	-67.4	0	0	0	0	109.4	L385 Q386 C387 R409 V410 L416 P417	L385-C394 HydrophobicContact CD1-CB 4.12Å; Q386-C394 CarbonylContact O-C 3.57Å; Q386-C394 VanDerWaalsContact O-CA 3.25Å; Q386-C394 WeakPolarHBondContact O-CA 3.13Å; C387-C394 HydrophobicContact CB-CB 4.16Å; C387-C394 WeakPolarHBondContact CB-SG 3.21Å; C387-C394 WeakPolarHBondContact SG-CB 2.89Å; C387-C394 CovalentContact SG-SG 2.05Å; C387-C394 PolarHBondContact SG-SG 2.83Å; C394-R409 CarbonylContact O-C 3.55Å; C394-R409 WeakPolarHBondContact O-CA 3.49Å; C394-V410 HydrophobicContact CB-CG2 4.27Å; C394-V410 PolarHBondContact N-O 2.92Å; C394-V410 VanDerWaalsContact N-O 3.12Å; C394-V410 WeakPolarHBondContact O-CG2 3.27Å; C394-V410 PolarHBondContact O-N 2.84Å; C394-L416 HydrophobicContact CB-CD2 4.06Å; C394-L416 WeakPolarHBondContact SG-CD2 3.38Å; C394-P417 HydrophobicContact CB-CG 4.15Å
395	W	83.6	Confident	77.6	Confident	31 Å²	31	42.3 Å²	42.3	12%	0.117	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	166.7	179.3	61.6	96	0	0	0	110.2	Q386 D388 E393 V397 E404 R409	Q386-W395 HydrophobicContact CB-CD2 4.14Å; Q386-W395 HydrophobicContact CB-CG 4.47Å; Q386-W395 HydrophobicContact CB-CH2 4.47Å; Q386-W395 HydrophobicContact CB-CZ2 3.71Å; Q386-W395 PolarHBondContact N-O 2.72Å; Q386-W395 PolarHBondContact O-N 2.88Å; Q386-W395 VanDerWaalsContact O-O 3.1Å; D388-W395 HydrophobicContact CB-CH2 3.76Å; D388-W395 HydrophobicContact CB-CZ3 3.65Å; D388-W395 VanDerWaalsContact N-CZ3 3.35Å; E393-W395 HydrophobicContact CB-CE3 4.37Å; E393-W395 HydrophobicContact CB-CZ3 4.26Å; W395-V397 VanDerWaalsContact CD1-CG1 3.41Å; W395-V397 VanDerWaalsContact NE1-CG1 3.3Å; W395-E404 HydrophobicContact CB-CG 4.17Å; W395-E404 HydrophobicContact CG-CG 4.16Å; W395-R409 HydrophobicContact CB-CB 3.82Å; W395-R409 HydrophobicContact CB-CG 4.2Å
396	C	80.3	Confident	77.2	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.007	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	142.7	173.8	-54.5	0	0	0	0	110.5	P384 E404 L405 T408 C419	P384-C396 CarbonylContact O-C 3.56Å; P384-C396 WeakPolarHBondContact O-CA 2.91Å; C396-E404 CarbonylContact O-C 3.38Å; C396-E404 WeakPolarHBondContact O-CA 3.41Å; C396-L405 HydrophobicContact CB-CB 4.35Å; C396-L405 HydrophobicContact CB-CD1 3.93Å; C396-L405 HydrophobicContact CB-CG 4.45Å; C396-L405 PolarHBondContact O-N 3.22Å; C396-T408 HydrophobicContact CB-CG2 3.91Å; C396-T408 WeakPolarHBondContact CB-OG1 3.41Å; C396-T408 PolarHBondContact N-OG1 3.42Å; C396-T408 PolarHBondContact O-OG1 3.4Å; C396-C419 WeakPolarHBondContact CA-SG 3.29Å; C396-C419 HydrophobicContact CB-CB 3.68Å; C396-C419 WeakPolarHBondContact CB-SG 3.27Å; C396-C419 WeakPolarHBondContact SG-CA 3.36Å; C396-C419 WeakPolarHBondContact SG-CB 3.35Å; C396-C419 PolarHBondContact SG-N 3.26Å; C396-C419 VanDerWaalsContact SG-N 3.35Å; C396-C419 CovalentContact SG-SG 2.04Å; C396-C419 PolarHBondContact SG-SG 3.45Å
397	V	79.2	Confident	76.5	Confident	2 Å²	2	58 Å²	58	1%	0.012	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-123.6	155.2	175.9	-59.6	0	0	0	0	111.3	A383 P384 Q386 W395 E399 G402 I403	A383-V397 WeakPolarHBondContact O-CG2 3.32Å; P384-V397 PolarHBondContact O-N 3.44Å; Q386-V397 HydrophobicContact CB-CG1 4.14Å; Q386-V397 HydrophobicContact CG-CB 4.14Å; Q386-V397 HydrophobicContact CG-CG1 3.5Å; Q386-V397 HydrophobicContact CG-CG2 3.48Å; Q386-V397 VanDerWaalsContact CG-CG2 3.48Å; W395-V397 VanDerWaalsContact CD1-CG1 3.41Å; W395-V397 VanDerWaalsContact NE1-CG1 3.3Å; V397-E399 PolarHBondContact O-N 3.12Å; V397-G402 WeakPolarHBondContact CG1-O 3.44Å; V397-I403 CarbonylContact C-O 3.57Å; V397-I403 WeakPolarHBondContact CA-O 3.45Å
398	D	77.2	Confident	76.4	Confident	64 Å²	64	59.3 Å²	59.3	34%	0.342	31%	0.31	S	S	.	.			trans	-67	126.2	165.6	175.1	-90.9	0	0	0	109.9	R400 T401 G402 I403	D398-R400 PolarHBondContact O-N 3Å; D398-R400 VanDerWaalsContact O-N 3.15Å; D398-R400 PolarHBondContact OD1-N 3.16Å; D398-T401 VanDerWaalsContact CB-OG1 3.27Å; D398-T401 WeakPolarHBondContact CB-OG1 3.17Å; D398-T401 VanDerWaalsContact CG-OG1 3.31Å; D398-T401 PolarHBondContact O-N 2.93Å; D398-T401 WeakPolarHBondContact OD1-CB 3.11Å; D398-T401 PolarHBondContact OD1-N 3.12Å; D398-T401 PolarHBondContact OD1-OG1 3.33Å; D398-G402 WeakPolarHBondContact O-CA 3.46Å; D398-G402 PolarHBondContact O-N 2.94Å; D398-I403 PolarHBondContact N-O 3.03Å
399	E	78.6	Confident	76.3	Confident	59 Å²	59	62.6 Å²	62.6	28%	0.276	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-30.9	-174.3	-176.8	177.4	174.9	0	0	112.8	L377 L381 Y382 V397	L377-E399 HydrophobicContact CD1-CG 3.98Å; L377-E399 VanDerWaalsContact CD1-OE1 3.26Å; L377-E399 WeakPolarHBondContact CD1-OE1 3.48Å; L381-E399 HydrophobicContact CB-CG 3.83Å; L381-E399 WeakPolarHBondContact CB-O 3.46Å; L381-E399 HydrophobicContact CD1-CG 3.92Å; L381-E399 HydrophobicContact CG-CG 4.49Å; Y382-E399 PolarHBondContact N-O 3.2Å; V397-E399 PolarHBondContact O-N 3.12Å
400	R	76.4	Confident	76.8	Confident	161 Å²	161	64.2 Å²	64.2	61%	0.608	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-38.8	-176.6	-170.9	-174.5	65.5	85.3	1.5	112.8	D398	D398-R400 PolarHBondContact O-N 3Å; D398-R400 VanDerWaalsContact O-N 3.15Å; D398-R400 PolarHBondContact OD1-N 3.16Å
401	T	77.9	Confident	77.3	Confident	47 Å²	47	67.7 Å²	67.7	29%	0.288	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-18.4	-171	58.9	0	0	0	0	113.8	D398 I403	D398-T401 VanDerWaalsContact CB-OG1 3.27Å; D398-T401 WeakPolarHBondContact CB-OG1 3.17Å; D398-T401 VanDerWaalsContact CG-OG1 3.31Å; D398-T401 PolarHBondContact O-N 2.93Å; D398-T401 WeakPolarHBondContact OD1-CB 3.11Å; D398-T401 PolarHBondContact OD1-N 3.12Å; D398-T401 PolarHBondContact OD1-OG1 3.33Å; T401-I403 PolarHBondContact O-N 2.83Å; T401-I403 PolarHBondContact OG1-N 2.87Å
402	G	80.6	Confident	76.9	Confident	22 Å²	22	71 Å²	71	23%	0.227	33%	0.332	C	S	.	.			trans	70.6	3.8	-174	0	0	0	0	0	113.9	Y382 V397 D398	Y382-G402 VanDerWaalsContact CG-CA 3.48Å; V397-G402 WeakPolarHBondContact CG1-O 3.44Å; D398-G402 WeakPolarHBondContact O-CA 3.46Å; D398-G402 PolarHBondContact O-N 2.94Å
403	I	80.8	Confident	76.4	Confident	113 Å²	113	71.2 Å²	71.2	58%	0.579	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-71.6	133.8	179.8	-63.6	172.1	0	0	0	109.3	V397 D398 T401 L405	V397-I403 CarbonylContact C-O 3.57Å; V397-I403 WeakPolarHBondContact CA-O 3.45Å; D398-I403 PolarHBondContact N-O 3.03Å; T401-I403 PolarHBondContact O-N 2.83Å; T401-I403 PolarHBondContact OG1-N 2.87Å; I403-L405 PolarHBondContact O-N 3.37Å
404	E	80.7	Confident	75.2	Confident	62 Å²	62	72.8 Å²	72.8	29%	0.29	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-59	127.8	172.9	179.8	179.1	161.5	0	0	111.6	W395 C396 L406 R409	W395-E404 HydrophobicContact CB-CG 4.17Å; W395-E404 HydrophobicContact CG-CG 4.16Å; C396-E404 CarbonylContact O-C 3.38Å; C396-E404 WeakPolarHBondContact O-CA 3.41Å; E404-L406 PolarHBondContact O-N 2.81Å; E404-R409 VanDerWaalsContact OE1-CB 3.27Å; E404-R409 WeakPolarHBondContact OE1-CB 3.26Å; E404-R409 IonicContact OE1-NE 2.72Å; E404-R409 PolarHBondContact OE1-NE 3.1Å; E404-R409 IonicContact OE2-CZ 2.92Å; E404-R409 IonicContact OE2-NE 3.63Å; E404-R409 PolarHBondContact OE2-NE 3.14Å; E404-R409 VanDerWaalsContact OE2-NE 3.12Å; E404-R409 IonicContact OE2-NH2 2.7Å; E404-R409 PolarHBondContact OE2-NH2 3.42Å
405	L	73.4	Confident	74.1	Confident	76 Å²	76	82.2 Å²	82.2	40%	0.398	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-71	121.4	167.8	-63.2	177.9	0	0	0	108.4	C396 I403 Y407 T408	C396-L405 HydrophobicContact CB-CB 4.35Å; C396-L405 HydrophobicContact CB-CD1 3.93Å; C396-L405 HydrophobicContact CB-CG 4.45Å; C396-L405 PolarHBondContact O-N 3.22Å; I403-L405 PolarHBondContact O-N 3.37Å; L405-Y407 PolarHBondContact O-N 2.88Å; L405-T408 HydrophobicContact CB-CG2 3.64Å; L405-T408 WeakPolarHBondContact O-CB 3.31Å; L405-T408 WeakPolarHBondContact O-CG2 3.19Å; L405-T408 PolarHBondContact O-N 2.75Å; L405-T408 PolarHBondContact O-OG1 3.5Å
406	L	69.5	Low	73	Confident	139 Å²	139	83.1 Å²	83.1	73%	0.728	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	140.2	-178	-66.5	173.6	0	0	0	111.6	E404 T408	E404-L406 PolarHBondContact O-N 2.81Å; L406-T408 PolarHBondContact O-N 2.92Å
407	Y	67.6	Low	72.3	Confident	228 Å²	228	83.9 Å²	83.9	89%	0.894	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	19.3	178.6	-45.2	-72.3	0	0	0	115.4	L405	L405-Y407 PolarHBondContact O-N 2.88Å
408	T	72.5	Confident	71.4	Confident	30 Å²	30	92.4 Å²	92.4	18%	0.184	43%	0.427	C	S	.	.			trans	-99.7	-13.6	174.9	66.7	0	0	0	0	113.9	C396 L405 L406 V410 P417	C396-T408 HydrophobicContact CB-CG2 3.91Å; C396-T408 WeakPolarHBondContact CB-OG1 3.41Å; C396-T408 PolarHBondContact N-OG1 3.42Å; C396-T408 PolarHBondContact O-OG1 3.4Å; L405-T408 HydrophobicContact CB-CG2 3.64Å; L405-T408 WeakPolarHBondContact O-CB 3.31Å; L405-T408 WeakPolarHBondContact O-CG2 3.19Å; L405-T408 PolarHBondContact O-N 2.75Å; L405-T408 PolarHBondContact O-OG1 3.5Å; L406-T408 PolarHBondContact O-N 2.92Å; T408-V410 PolarHBondContact O-N 3.43Å; T408-P417 WeakPolarHBondContact O-CB 3.44Å
409	R	78.2	Confident	70.8	Confident	107 Å²	107	90.8 Å²	90.8	40%	0.404	42%	0.42	S	S	.	.			trans	-68.3	124.1	177.5	-173.1	177.1	-68	-118.2	0	111.3	E393 C394 W395 E404	E393-R409 WeakPolarHBondContact OE2-CD 3.42Å; E393-R409 IonicContact OE2-CZ 2.9Å; E393-R409 IonicContact OE2-NH1 3.37Å; E393-R409 PolarHBondContact OE2-NH1 2.83Å; C394-R409 CarbonylContact O-C 3.55Å; C394-R409 WeakPolarHBondContact O-CA 3.49Å; W395-R409 HydrophobicContact CB-CB 3.82Å; W395-R409 HydrophobicContact CB-CG 4.2Å; E404-R409 VanDerWaalsContact OE1-CB 3.27Å; E404-R409 WeakPolarHBondContact OE1-CB 3.26Å; E404-R409 IonicContact OE1-NE 2.72Å; E404-R409 PolarHBondContact OE1-NE 3.1Å; E404-R409 IonicContact OE2-CZ 2.92Å; E404-R409 IonicContact OE2-NE 3.63Å; E404-R409 PolarHBondContact OE2-NE 3.14Å; E404-R409 VanDerWaalsContact OE2-NE 3.12Å; E404-R409 IonicContact OE2-NH2 2.7Å; E404-R409 PolarHBondContact OE2-NH2 3.42Å
410	V	77.2	Confident	69.9	Low	39 Å²	39	91.9 Å²	91.9	24%	0.236	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.4	175	-62.4	0	0	0	0	109.4	C394 T408 P417	C394-V410 HydrophobicContact CB-CG2 4.27Å; C394-V410 PolarHBondContact N-O 2.92Å; C394-V410 VanDerWaalsContact N-O 3.12Å; C394-V410 WeakPolarHBondContact O-CG2 3.27Å; C394-V410 PolarHBondContact O-N 2.84Å; T408-V410 PolarHBondContact O-N 3.43Å; V410-P417 HydrophobicContact CG1-CB 4.2Å; V410-P417 HydrophobicContact CG2-CB 4.21Å; V410-P417 HydrophobicContact CG2-CG 4Å
411	Y	80.1	Confident	68.2	Low	133 Å²	133	87.6 Å²	87.6	52%	0.522	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	124.1	178.6	-176.7	-100.1	0	0	0	109.9	A391 E393 S413	A391-Y411 WeakPolarHBondContact O-CE2 2.78Å; E393-Y411 HydrophobicContact CG-CD2 3.46Å; E393-Y411 VanDerWaalsContact CG-CD2 3.46Å; E393-Y411 HydrophobicContact CG-CE2 4.08Å; E393-Y411 HydrophobicContact CG-CG 4.45Å; E393-Y411 VanDerWaalsContact OE1-CD2 3.23Å; E393-Y411 WeakPolarHBondContact OE1-CD2 3.35Å; Y411-S413 PolarHBondContact O-N 2.89Å
412	K	67.6	Low	66.5	Low	104 Å²	104	92.5 Å²	92.5	45%	0.452	43%	0.432	S	S	.	.	S	Bend	trans	45.6	32.3	176	-63.5	-177.4	-179.9	156.9	0	113.9	S392	S392-K412 PolarHBondContact O-N 2.82Å
413	S	60.9	Low	64.6	Low	34 Å²	34	91.9 Å²	91.9	24%	0.238	42%	0.424	C	S	.	.			trans	-87.9	133.3	-179.2	167.2	0	0	0	0	109	T89 Y411 R415	T89-S413 VanDerWaalsContact CG2-O 3.3Å; T89-S413 WeakPolarHBondContact CG2-O 3.26Å; Y411-S413 PolarHBondContact O-N 2.89Å; S413-R415 WeakPolarHBondContact CB-O 3.35Å; S413-R415 PolarHBondContact O-N 3.46Å; S413-R415 PolarHBondContact OG-N 2.91Å; S413-R415 VanDerWaalsContact OG-N 3.1Å; S413-R415 PolarHBondContact OG-O 2.66Å
414	P	56	Low	63.1	Low	74 Å²	74	90.4 Å²	90.4	48%	0.481	42%	0.415	S	S	.	.	S	Bend	trans	-61.9	-14.6	172.8	27.3	-34.4	0	0	0	112.9	T89 P93	T89-P414 WeakPolarHBondContact O-CA 3.1Å; T89-P414 WeakPolarHBondContact O-CB 3.2Å; P93-P414 HydrophobicContact CG-CB 4.36Å
415	R	57.2	Low	62	Low	201 Å²	201	90 Å²	90	76%	0.758	41%	0.412	S	S	*	.	S	Bend	trans	-107.3	120.4	177.4	-63.4	-177.6	-178.3	159.7	1.3	109.2	S413	S413-R415 WeakPolarHBondContact CB-O 3.35Å; S413-R415 PolarHBondContact O-N 3.46Å; S413-R415 PolarHBondContact OG-N 2.91Å; S413-R415 VanDerWaalsContact OG-N 3.1Å; S413-R415 PolarHBondContact OG-O 2.66Å
416	L	61.9	Low	61.7	Low	50 Å²	50	86.7 Å²	86.7	26%	0.262	40%	0.396	S	S	.	.			trans	-59.5	146.3	165	-67.8	171.8	0	0	0	109.3	L385 C394	L385-L416 HydrophobicContact CD2-CD1 4.05Å; L385-L416 HydrophobicContact CD2-CD2 4.44Å; C394-L416 HydrophobicContact CB-CD2 4.06Å; C394-L416 WeakPolarHBondContact SG-CD2 3.38Å
417	P	66.2	Low	62.1	Low	17 Å²	17	80.3 Å²	80.3	11%	0.11	36%	0.363	C	S	.	.			trans	-66.6	141.6	177.1	30.7	-30	0	0	0	108.8	L385 C394 T408 V410 C419	L385-P417 HydrophobicContact CD1-CG 3.65Å; C394-P417 HydrophobicContact CB-CG 4.15Å; T408-P417 WeakPolarHBondContact O-CB 3.44Å; V410-P417 HydrophobicContact CG1-CB 4.2Å; V410-P417 HydrophobicContact CG2-CB 4.21Å; V410-P417 HydrophobicContact CG2-CG 4Å; P417-C419 VanDerWaalsContact C-N 3.33Å; P417-C419 PolarHBondContact O-N 2.76Å; P417-C419 PolarHBondContact O-SG 2.02Å
418	R	59.2	Low	62.7	Low	181 Å²	181	71.9 Å²	71.9	68%	0.683	34%	0.337	S	S	*	.			trans	-75.3	89.5	178.1	-70.9	-169.3	175.6	-150.9	-1.5	109.3	V421 E424	R418-V421 HydrophobicContact CB-CG2 3.78Å; R418-E424 IonicContact CZ-OE2 3.69Å; R418-E424 IonicContact NH1-OE2 2.99Å; R418-E424 PolarHBondContact NH1-OE2 3.42Å
419	C	64.6	Low	63	Low	29 Å²	29	76.1 Å²	76.1	20%	0.196	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	143.7	175.9	-51.4	0	0	0	0	110.4	P384 L385 C396 P417	P384-C419 HydrophobicContact CB-CB 3.9Å; P384-C419 WeakPolarHBondContact O-CB 3.35Å; P384-C419 PolarHBondContact O-SG 3.48Å; P384-C419 VanDerWaalsContact O-SG 3.41Å; L385-C419 HydrophobicContact CB-CB 4.16Å; L385-C419 VanDerWaalsContact CD1-SG 3.58Å; C396-C419 WeakPolarHBondContact CA-SG 3.29Å; C396-C419 HydrophobicContact CB-CB 3.68Å; C396-C419 WeakPolarHBondContact CB-SG 3.27Å; C396-C419 WeakPolarHBondContact SG-CA 3.36Å; C396-C419 WeakPolarHBondContact SG-CB 3.35Å; C396-C419 PolarHBondContact SG-N 3.26Å; C396-C419 VanDerWaalsContact SG-N 3.35Å; C396-C419 CovalentContact SG-SG 2.04Å; C396-C419 PolarHBondContact SG-SG 3.45Å; P417-C419 VanDerWaalsContact C-N 3.33Å; P417-C419 PolarHBondContact O-N 2.76Å; P417-C419 PolarHBondContact O-SG 2.02Å
420	N	59	Low	63	Low	82 Å²	82	73.2 Å²	73.2	44%	0.439	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	43	-177.9	-83.9	6	0	0	0	116.2	P384 R422	P384-N420 HydrophobicContact CB-CB 4.16Å; P384-N420 VanDerWaalsContact CB-CG 3.47Å; P384-N420 HydrophobicContact CG-CB 4.36Å; P384-N420 VanDerWaalsContact CG-CG 3.47Å; P384-N420 WeakPolarHBondContact CG-ND2 3.41Å; N420-R422 PolarHBondContact O-N 3.49Å
421	V	41.1	Very low	63.1	Low	71 Å²	71	75.4 Å²	75.4	43%	0.43	36%	0.357	S	S	.	.			trans	-69.4	68.6	160.3	-164.3	0	0	0	0	109.7	R418 S423 P494	R418-V421 HydrophobicContact CB-CG2 3.78Å; V421-S423 PolarHBondContact O-N 2.83Å; V421-P494 HydrophobicContact CG1-CB 4.46Å; V421-P494 HydrophobicContact CG1-CG 3.78Å
422	R	42.1	Very low	63.3	Low	151 Å²	151	71.2 Å²	71.2	57%	0.57	35%	0.346	S	S	*	.	S	Bend	trans	-69.1	88.4	145.1	-73.7	-176.4	-178.1	173.6	4.3	104.3	N420	N420-R422 PolarHBondContact O-N 3.49Å
423	S	41.5	Very low	63.8	Low	8 Å²	8	70.1 Å²	70.1	6%	0.056	34%	0.341	C	S	.	.			trans	30.8	97.9	168.7	65.2	0	0	0	0	114.5	V421 F425 P472 P494	V421-S423 PolarHBondContact O-N 2.83Å; S423-F425 WeakPolarHBondContact CB-O 3.41Å; S423-F425 CarbonylContact O-C 3.55Å; S423-F425 PolarHBondContact O-N 3.46Å; S423-F425 PolarHBondContact OG-O 3.27Å; S423-P472 WeakPolarHBondContact O-CB 3.33Å; S423-P494 WeakPolarHBondContact CA-O 3.3Å; S423-P494 WeakPolarHBondContact CB-O 3.16Å
424	E	48.5	Very low	64.9	Low	82 Å²	82	77.8 Å²	77.8	38%	0.383	37%	0.37	S	S	.	.	S	Bend	trans	-49	-21.6	176.1	-166.4	164.6	-166.8	0	0	111.9	R418 Y473	R418-E424 IonicContact CZ-OE2 3.69Å; R418-E424 IonicContact NH1-OE2 2.99Å; R418-E424 PolarHBondContact NH1-OE2 3.42Å; E424-Y473 HydrophobicContact CG-CD2 3.86Å; E424-Y473 HydrophobicContact CG-CE2 4.28Å; E424-Y473 WeakPolarHBondContact O-CA 3.3Å; E424-Y473 WeakPolarHBondContact O-CB 3.23Å; E424-Y473 WeakPolarHBondContact O-CD2 3.4Å; E424-Y473 PolarHBondContact O-N 2.98Å
425	F	57.5	Low	66.1	Low	53 Å²	53	83 Å²	83	23%	0.232	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-125.3	137.8	172.4	-52.3	-84.2	0	0	0	112.7	S423 Y473 F475 M484 L493	S423-F425 WeakPolarHBondContact CB-O 3.41Å; S423-F425 CarbonylContact O-C 3.55Å; S423-F425 PolarHBondContact O-N 3.46Å; S423-F425 PolarHBondContact OG-O 3.27Å; F425-Y473 VanDerWaalsContact CA-O 3.28Å; F425-Y473 WeakPolarHBondContact CA-O 3.42Å; F425-Y473 HydrophobicContact CE1-CG 4.29Å; F425-F475 HydrophobicContact CB-CE1 4.39Å; F425-F475 HydrophobicContact CB-CE2 4.44Å; F425-F475 HydrophobicContact CB-CZ 3.74Å; F425-F475 AromaticContact CD1-CE1 3.77Å; F425-F475 HydrophobicContact CD1-CE1 3.77Å; F425-F475 AromaticContact CD1-CZ 4Å; F425-F475 HydrophobicContact CD1-CZ 4Å; F425-F475 HydrophobicContact CG-CE1 4.31Å; F425-F475 HydrophobicContact CG-CZ 4.12Å; F425-M484 HydrophobicContact CD1-CE 4.29Å; F425-M484 HydrophobicContact CD2-CE 3.73Å; F425-M484 HydrophobicContact CE1-CE 4.25Å; F425-M484 HydrophobicContact CE2-CE 3.69Å; F425-M484 HydrophobicContact CG-CE 4.04Å; F425-M484 HydrophobicContact CZ-CE 3.97Å; F425-L493 HydrophobicContact CD2-CD2 4.04Å; F425-L493 HydrophobicContact CE2-CD2 4.47Å
426	S	68.3	Low	67.1	Low	7 Å²	7	73.8 Å²	73.8	5%	0.049	35%	0.347	C	S	.	.			trans	-102.6	108.8	170.8	-169.9	0	0	0	0	111	S428 Y473	S426-S428 PolarHBondContact OG-O 2.88Å; S426-Y473 PolarHBondContact N-O 3.3Å; S426-Y473 VanDerWaalsContact N-O 3.07Å
427	C	78	Confident	67.3	Low	6 Å²	6	73.5 Å²	73.5	4%	0.041	35%	0.351	C	S	.	.			trans	-77.6	-28.5	170.3	-70.1	0	0	0	0	112.5	R451 C485 V495	C427-R451 HydrophobicContact CB-CB 4.43Å; C427-R451 PolarHBondContact O-N 3.35Å; C427-C485 WeakPolarHBondContact CA-SG 3.09Å; C427-C485 HydrophobicContact CB-CB 3.75Å; C427-C485 WeakPolarHBondContact CB-SG 3.18Å; C427-C485 VanDerWaalsContact SG-CA 3.52Å; C427-C485 WeakPolarHBondContact SG-CB 3.48Å; C427-C485 CovalentContact SG-SG 2.04Å; C427-C485 PolarHBondContact SG-SG 3.03Å; C427-V495 HydrophobicContact CB-CG1 4.36Å
428	S	78.8	Confident	67.1	Low	51 Å²	51	78.6 Å²	78.6	36%	0.357	38%	0.384	S	S	.	.	S	Bend	trans	-82	143.4	174.6	49.4	0	0	0	0	111.1	S426 I430 F450	S426-S428 PolarHBondContact OG-O 2.88Å; S428-I430 PolarHBondContact O-N 3.32Å; S428-F450 VanDerWaalsContact C-CD1 3.47Å; S428-F450 WeakPolarHBondContact O-CD1 3.36Å; S428-F450 WeakPolarHBondContact O-CE1 3.26Å
429	W	78.2	Confident	67.8	Low	119 Å²	119	74.3 Å²	74.3	45%	0.451	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-61.2	129.7	175.9	175	53.2	0	0	0	111.4	P431 F450 R459 P460	W429-P431 HydrophobicContact CH2-CB 4.47Å; W429-F450 HydrophobicContact CB-CB 4.36Å; W429-F450 HydrophobicContact CB-CD1 4.44Å; W429-F450 HydrophobicContact CB-CD2 4.41Å; W429-F450 HydrophobicContact CB-CG 4.16Å; W429-F450 AromaticContact CD1-CD2 3.95Å; W429-F450 AromaticContact CD1-CE2 3.76Å; W429-R459 HydrophobicContact CB-CG 4.41Å; W429-R459 HydrophobicContact CG-CB 3.93Å; W429-R459 HydrophobicContact CG-CG 4Å; W429-P460 PolarHBondContact NE1-O 3.13Å
430	I	78.4	Confident	68.4	Low	46 Å²	46	74.5 Å²	74.5	24%	0.236	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-97.3	119.1	174.7	-59.2	163.8	0	0	0	108	S428 I461 P472 T474	S428-I430 PolarHBondContact O-N 3.32Å; I430-I461 HydrophobicContact CB-CD1 3.88Å; I430-I461 HydrophobicContact CB-CG1 4.42Å; I430-I461 HydrophobicContact CD1-CD1 3.95Å; I430-I461 HydrophobicContact CG1-CD1 4.48Å; I430-I461 HydrophobicContact CG2-CD1 4.26Å; I430-P472 HydrophobicContact CD1-CG 3.53Å; I430-T474 HydrophobicContact CD1-CG2 4.36Å
431	P	79.5	Confident	69.5	Low	84 Å²	84	72.4 Å²	72.4	55%	0.545	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-58.5	135.4	176.9	-21.1	31	0	0	0	111	W429 K433	W429-P431 HydrophobicContact CH2-CB 4.47Å; P431-K433 PolarHBondContact O-N 2.9Å
432	P	83.8	Confident	71.4	Confident	46 Å²	46	73.2 Å²	73.2	30%	0.299	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-63.7	133	177.2	24.8	-32.2	0	0	0	110.8	L445	P432-L445 HydrophobicContact CB-CD2 3.66Å; P432-L445 HydrophobicContact CG-CD2 4.38Å
433	K	79.4	Confident	73.4	Confident	80 Å²	80	67.1 Å²	67.1	35%	0.348	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-60.4	149.4	168.6	-65.4	-177.9	177.7	179.6	0	109.8	P431 P443 S462 E467 H469	P431-K433 PolarHBondContact O-N 2.9Å; K433-P443 WeakPolarHBondContact O-CG 3.49Å; K433-S462 VanDerWaalsContact N-CB 3.34Å; K433-S462 PolarHBondContact N-OG 3.1Å; K433-E467 IonicContact NZ-OE1 2.75Å; K433-E467 PolarHBondContact NZ-OE1 3.11Å; K433-E467 IonicContact NZ-OE2 2.88Å; K433-E467 PolarHBondContact NZ-OE2 3.35Å; K433-H469 PolarHBondContact NZ-NE2 2.97Å
434	K	84.6	Confident	75.3	Confident	195 Å²	195	73.4 Å²	73.4	85%	0.848	39%	0.394	S	S	*	.	S	Bend	trans	-83.8	-29.2	172.2	-66.2	-175.7	179.5	-179.7	0	112.8	P443	K434-P443 WeakPolarHBondContact O-CD 3.07Å
435	R	80.5	Confident	77	Confident	185 Å²	185	75 Å²	75	70%	0.698	41%	0.405	S	S	*	.	S	Bend	trans	-144.5	145.2	-177.7	-74.1	-171.4	-91.8	-100.4	6.1	110
436	C	77.9	Confident	78.2	Confident	7 Å²	7	74.5 Å²	74.5	5%	0.047	41%	0.406	C	S	.	.			trans	-82.4	155.9	173	-64.2	0	0	0	0	111.4	G440 S441 P443 C464	C436-G440 WeakPolarHBondContact O-CA 3.06Å; C436-G440 PolarHBondContact O-N 2.73Å; C436-S441 WeakPolarHBondContact CB-OG 3.07Å; C436-S441 PolarHBondContact N-O 2.83Å; C436-P443 VanDerWaalsContact SG-CA 3.59Å; C436-C464 WeakPolarHBondContact CA-SG 3.25Å; C436-C464 HydrophobicContact CB-CB 3.68Å; C436-C464 WeakPolarHBondContact CB-SG 3.33Å; C436-C464 VanDerWaalsContact SG-CA 3.51Å; C436-C464 WeakPolarHBondContact SG-CB 3.34Å; C436-C464 CovalentContact SG-SG 2.04Å; C436-C464 PolarHBondContact SG-SG 3.42Å
437	A	66.9	Low	79.1	Confident	43 Å²	43	79.1 Å²	79.1	36%	0.355	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	155.5	167.8	0	0	0	0	0	110.3	E467	A437-E467 HydrophobicContact CB-CG 4.38Å; A437-E467 WeakPolarHBondContact CB-OE1 3.27Å; A437-E467 PolarHBondContact N-OE1 3.28Å; A437-E467 WeakPolarHBondContact O-CG 3.36Å
438	P	60.3	Low	79.5	Confident	125 Å²	125	81.9 Å²	81.9	81%	0.812	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.2	-15.8	-9.1	33.2	-33.9	0	0	0	113.8	G440	P438-G440 VanDerWaalsContact C-N 3.32Å; P438-G440 PolarHBondContact O-N 2.96Å
439	D	75.2	Confident	79.9	Confident	90 Å²	90	81.6 Å²	81.6	48%	0.481	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-13.6	-169.4	65.7	-16.1	0	0	0	115.2	S441	D439-S441 PolarHBondContact O-N 2.74Å; D439-S441 PolarHBondContact OD1-N 2.74Å; D439-S441 VanDerWaalsContact OD1-N 3.13Å; D439-S441 PolarHBondContact OD1-OG 2.73Å; D439-S441 WeakPolarHBondContact OD2-CB 3.38Å; D439-S441 PolarHBondContact OD2-OG 2.78Å
440	G	77.2	Confident	80.3	Confident	34 Å²	34	76 Å²	76	35%	0.351	41%	0.409	S	S	.	.			trans	75.4	10.9	-176.6	0	0	0	0	0	113.9	C436 P438	C436-G440 WeakPolarHBondContact O-CA 3.06Å; C436-G440 PolarHBondContact O-N 2.73Å; P438-G440 VanDerWaalsContact C-N 3.32Å; P438-G440 PolarHBondContact O-N 2.96Å
441	S	81.9	Confident	80.5	Confident	38 Å²	38	78.8 Å²	78.8	27%	0.266	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-62.9	158.1	-175.5	56.5	0	0	0	0	112.8	C436 D439 P443	C436-S441 WeakPolarHBondContact CB-OG 3.07Å; C436-S441 PolarHBondContact N-O 2.83Å; D439-S441 PolarHBondContact O-N 2.74Å; D439-S441 PolarHBondContact OD1-N 2.74Å; D439-S441 VanDerWaalsContact OD1-N 3.13Å; D439-S441 PolarHBondContact OD1-OG 2.73Å; D439-S441 WeakPolarHBondContact OD2-CB 3.38Å; D439-S441 PolarHBondContact OD2-OG 2.78Å; S441-P443 WeakPolarHBondContact O-CD 3.48Å
442	A	81.2	Confident	80.9	Confident	87 Å²	87	79.1 Å²	79.1	72%	0.719	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-70.1	124.1	177.8	0	0	0	0	0	110.2
443	P	83.6	Confident	80.9	Confident	24 Å²	24	79.1 Å²	79.1	16%	0.156	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-69.5	143.8	178.4	20.7	-24	0	0	0	111.4	K433 K434 C436 S441	K433-P443 WeakPolarHBondContact O-CG 3.49Å; K434-P443 WeakPolarHBondContact O-CD 3.07Å; C436-P443 VanDerWaalsContact SG-CA 3.59Å; S441-P443 WeakPolarHBondContact O-CD 3.48Å
444	K	82.6	Confident	81.2	Confident	140 Å²	140	86.6 Å²	86.6	61%	0.609	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	129.4	171.1	-68.4	-174.9	179	179.8	0	109.2	S462 F463	K444-S462 CarbonylContact O-C 3.51Å; K444-F463 PolarHBondContact N-O 2.9Å; K444-F463 PolarHBondContact O-N 3.15Å
445	L	84.3	Confident	81.5	Confident	116 Å²	116	83.6 Å²	83.6	61%	0.607	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	131.2	175.1	-64.7	176.4	0	0	0	110.1	P432 I461	P432-L445 HydrophobicContact CB-CD2 3.66Å; P432-L445 HydrophobicContact CG-CD2 4.38Å; L445-I461 WeakPolarHBondContact CA-O 3.48Å
446	V	82.5	Confident	81.9	Confident	42 Å²	42	75.2 Å²	75.2	26%	0.255	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	143.2	173.6	-63.7	0	0	0	0	109.4	R448 P460 I461 F463	V446-R448 HydrophobicContact CG2-CG 4.43Å; V446-P460 WeakPolarHBondContact O-CA 3.2Å; V446-I461 HydrophobicContact CG2-CG2 3.61Å; V446-I461 PolarHBondContact N-O 3.01Å; V446-I461 WeakPolarHBondContact O-CG2 3.35Å; V446-I461 PolarHBondContact O-N 2.78Å; V446-F463 HydrophobicContact CG2-CB 4.35Å
447	L	86.2	Confident	82.6	Confident	104 Å²	104	76 Å²	76	55%	0.545	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	137.9	175.6	-64.8	173.7	0	0	0	110.5	L458 P460	L447-L458 HydrophobicContact CB-CD2 3.66Å; L447-L458 HydrophobicContact CD1-CD2 4.47Å; L447-P460 HydrophobicContact CD2-CB 4.15Å
448	R	87.4	Confident	83.8	Confident	64 Å²	64	77.9 Å²	77.9	24%	0.242	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	156.3	178	-64.4	-70.3	-175	-88.5	-0.4	110.4	V446 F450 L458 R459 I461 T474 F475	V446-R448 HydrophobicContact CG2-CG 4.43Å; R448-F450 HydrophobicContact CB-CE2 3.72Å; R448-F450 HydrophobicContact CB-CZ 4.04Å; R448-F450 WeakPolarHBondContact O-CD2 3.04Å; R448-F450 WeakPolarHBondContact O-CE2 3.48Å; R448-L458 WeakPolarHBondContact O-CA 3.18Å; R448-R459 PolarHBondContact N-O 3.24Å; R448-R459 PolarHBondContact O-N 3.42Å; R448-I461 HydrophobicContact CB-CG2 4.29Å; R448-I461 HydrophobicContact CG-CG2 3.65Å; R448-T474 WeakPolarHBondContact CD-OG1 3.2Å; R448-T474 VanDerWaalsContact CG-OG1 3.27Å; R448-T474 WeakPolarHBondContact CG-OG1 3.22Å; R448-F475 WeakPolarHBondContact CA-O 3.25Å
449	W	85.9	Confident	85.3	Confident	44 Å²	44	76.3 Å²	76.3	17%	0.167	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	134.1	-179.4	-65.4	88.5	0	0	0	111.3	C456 V457 L458 F475 R476 F477 Q478 C481	W449-C456 HydrophobicContact CE3-CB 4Å; W449-C456 WeakPolarHBondContact CZ3-O 3.45Å; W449-V457 WeakPolarHBondContact CA-O 3.2Å; W449-L458 HydrophobicContact CD2-CD1 4.49Å; W449-L458 HydrophobicContact CD2-CD2 4.32Å; W449-L458 HydrophobicContact CD2-CG 3.83Å; W449-L458 HydrophobicContact CE3-CG 4.12Å; W449-L458 HydrophobicContact CG-CG 4.47Å; W449-L458 HydrophobicContact CH2-CD1 3.64Å; W449-L458 HydrophobicContact CH2-CG 3.97Å; W449-L458 HydrophobicContact CZ2-CD1 3.35Å; W449-L458 HydrophobicContact CZ2-CD2 4.29Å; W449-L458 HydrophobicContact CZ2-CG 3.63Å; W449-L458 HydrophobicContact CZ3-CD1 4.3Å; W449-L458 HydrophobicContact CZ3-CG 4.19Å; W449-F475 HydrophobicContact CB-CB 4.1Å; W449-F475 PolarHBondContact N-O 3.38Å; W449-R476 VanDerWaalsContact CD1-O 3.3Å; W449-R476 PolarHBondContact NE1-O 3.11Å; W449-F477 VanDerWaalsContact CD1-C 3.45Å; W449-Q478 HydrophobicContact CD2-CB 3.77Å; W449-Q478 HydrophobicContact CD2-CG 4.14Å; W449-Q478 HydrophobicContact CE3-CB 3.95Å; W449-Q478 HydrophobicContact CE3-CG 3.78Å; W449-Q478 HydrophobicContact CG-CB 4.41Å; W449-Q478 HydrophobicContact CH2-CB 3.86Å; W449-Q478 HydrophobicContact CH2-CG 3.89Å; W449-Q478 HydrophobicContact CZ2-CB 3.69Å; W449-Q478 HydrophobicContact CZ2-CG 4.25Å; W449-Q478 HydrophobicContact CZ3-CB 3.99Å; W449-Q478 HydrophobicContact CZ3-CG 3.64Å; W449-C481 HydrophobicContact CB-CB 3.64Å
450	F	87.3	Confident	85.9	Confident	1 Å²	1	74.3 Å²	74.3	0%	0.004	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	156.5	178.8	-61.1	-85.8	0	0	0	110.5	S428 W429 R448 C456 V457 R459 I461 T474	S428-F450 VanDerWaalsContact C-CD1 3.47Å; S428-F450 WeakPolarHBondContact O-CD1 3.36Å; S428-F450 WeakPolarHBondContact O-CE1 3.26Å; W429-F450 HydrophobicContact CB-CB 4.36Å; W429-F450 HydrophobicContact CB-CD1 4.44Å; W429-F450 HydrophobicContact CB-CD2 4.41Å; W429-F450 HydrophobicContact CB-CG 4.16Å; W429-F450 AromaticContact CD1-CD2 3.95Å; W429-F450 AromaticContact CD1-CE2 3.76Å; R448-F450 HydrophobicContact CB-CE2 3.72Å; R448-F450 HydrophobicContact CB-CZ 4.04Å; R448-F450 WeakPolarHBondContact O-CD2 3.04Å; R448-F450 WeakPolarHBondContact O-CE2 3.48Å; F450-C456 CarbonylContact O-C 3.57Å; F450-C456 VanDerWaalsContact O-CA 3.29Å; F450-C456 WeakPolarHBondContact O-CA 3.45Å; F450-V457 PolarHBondContact N-O 3.26Å; F450-V457 PolarHBondContact O-N 2.81Å; F450-R459 HydrophobicContact CD2-CB 3.75Å; F450-R459 HydrophobicContact CD2-CG 4.22Å; F450-R459 HydrophobicContact CE2-CB 4.01Å; F450-I461 HydrophobicContact CZ-CD1 4.45Å; F450-T474 HydrophobicContact CE1-CG2 3.65Å; F450-T474 HydrophobicContact CZ-CG2 3.66Å
451	R	83.3	Confident	86.1	Confident	105 Å²	105	72.9 Å²	72.9	40%	0.396	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	125.4	176.7	-177.1	176.8	71.2	87	-2.3	111	C427 G453 C485 L486	C427-R451 HydrophobicContact CB-CB 4.43Å; C427-R451 PolarHBondContact O-N 3.35Å; R451-G453 WeakPolarHBondContact CG-O 3.14Å; R451-G453 PolarHBondContact NH1-O 2.84Å; R451-C485 HydrophobicContact CB-CB 3.95Å; R451-C485 VanDerWaalsContact CD-O 3.26Å; R451-C485 WeakPolarHBondContact CD-O 3.38Å; R451-L486 HydrophobicContact CG-CD2 3.77Å; R451-L486 HydrophobicContact CG-CG 4.48Å
452	E	86	Confident	86.1	Confident	92 Å²	92	71.7 Å²	71.7	43%	0.43	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	101.9	169.7	-170.3	167.9	-160.2	0	0	108.7	W454 K455 V457 R459	E452-W454 PolarHBondContact O-N 2.78Å; E452-K455 PolarHBondContact N-O 2.84Å; E452-K455 VanDerWaalsContact O-CG 3.32Å; E452-K455 WeakPolarHBondContact O-CG 3.04Å; E452-K455 PolarHBondContact O-N 3.02Å; E452-V457 HydrophobicContact CB-CG1 4.34Å; E452-V457 HydrophobicContact CB-CG2 3.68Å; E452-V457 WeakPolarHBondContact OE2-CG2 3.35Å; E452-R459 IonicContact OE1-NH2 2.96Å; E452-R459 PolarHBondContact OE1-NH2 3.44Å; E452-R459 IonicContact OE2-CZ 2.78Å; E452-R459 IonicContact OE2-NE 2.6Å; E452-R459 IonicContact OE2-NH2 3.09Å; E452-R459 PolarHBondContact OE2-NH2 3.05Å
453	G	84.3	Confident	85.8	Confident	46 Å²	46	71.6 Å²	71.6	47%	0.474	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	-118.7	-168.7	0	0	0	0	0	111.8	R451	R451-G453 WeakPolarHBondContact CG-O 3.14Å; R451-G453 PolarHBondContact NH1-O 2.84Å
454	W	85.9	Confident	85.3	Confident	237 Å²	237	71 Å²	71	90%	0.898	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	13.4	-179	-67.8	105.6	0	0	0	114.1	E452 L486	E452-W454 PolarHBondContact O-N 2.78Å; W454-L486 HydrophobicContact CE3-CD2 4.49Å; W454-L486 WeakPolarHBondContact O-CD1 3.48Å
455	K	90.1	Very high	84.5	Confident	131 Å²	131	67.6 Å²	67.6	57%	0.57	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.9	150.4	179.9	58.6	175.7	-177.9	-177.9	0	111	E452 V457	E452-K455 PolarHBondContact N-O 2.84Å; E452-K455 VanDerWaalsContact O-CG 3.32Å; E452-K455 WeakPolarHBondContact O-CG 3.04Å; E452-K455 PolarHBondContact O-N 3.02Å; K455-V457 HydrophobicContact CD-CG1 4.06Å; K455-V457 HydrophobicContact CG-CG1 4.08Å
456	C	90.8	Very high	83.4	Confident	9 Å²	9	68.8 Å²	68.8	6%	0.061	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	132.3	167.5	-76.5	0	0	0	0	109.6	W449 F450 Q478 C481 E482	W449-C456 HydrophobicContact CE3-CB 4Å; W449-C456 WeakPolarHBondContact CZ3-O 3.45Å; F450-C456 CarbonylContact O-C 3.57Å; F450-C456 VanDerWaalsContact O-CA 3.29Å; F450-C456 WeakPolarHBondContact O-CA 3.45Å; C456-Q478 HydrophobicContact CB-CG 4.3Å; C456-C481 HydrophobicContact CB-CB 3.81Å; C456-C481 WeakPolarHBondContact CB-SG 3.02Å; C456-C481 WeakPolarHBondContact SG-CB 3.49Å; C456-C481 PolarHBondContact SG-O 2.78Å; C456-C481 CovalentContact SG-SG 2.05Å; C456-C481 PolarHBondContact SG-SG 3.4Å; C456-E482 HydrophobicContact CB-CG 4.09Å; C456-E482 PolarHBondContact SG-N 2.04Å; C456-E482 VanDerWaalsContact SG-N 3.39Å
457	V	91.2	Very high	82.3	Confident	25 Å²	25	68.2 Å²	68.2	15%	0.152	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	144.8	-178.5	-65.4	0	0	0	0	110.9	W449 F450 E452 K455 R459	W449-V457 WeakPolarHBondContact CA-O 3.2Å; F450-V457 PolarHBondContact N-O 3.26Å; F450-V457 PolarHBondContact O-N 2.81Å; E452-V457 HydrophobicContact CB-CG1 4.34Å; E452-V457 HydrophobicContact CB-CG2 3.68Å; E452-V457 WeakPolarHBondContact OE2-CG2 3.35Å; K455-V457 HydrophobicContact CD-CG1 4.06Å; K455-V457 HydrophobicContact CG-CG1 4.08Å; V457-R459 HydrophobicContact CG2-CG 4.25Å
458	L	92.4	Very high	80.5	Confident	82 Å²	82	69 Å²	69	43%	0.429	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	126.1	172.4	-84.8	149.4	0	0	0	110.5	L447 R448 W449	L447-L458 HydrophobicContact CB-CD2 3.66Å; L447-L458 HydrophobicContact CD1-CD2 4.47Å; R448-L458 WeakPolarHBondContact O-CA 3.18Å; W449-L458 HydrophobicContact CD2-CD1 4.49Å; W449-L458 HydrophobicContact CD2-CD2 4.32Å; W449-L458 HydrophobicContact CD2-CG 3.83Å; W449-L458 HydrophobicContact CE3-CG 4.12Å; W449-L458 HydrophobicContact CG-CG 4.47Å; W449-L458 HydrophobicContact CH2-CD1 3.64Å; W449-L458 HydrophobicContact CH2-CG 3.97Å; W449-L458 HydrophobicContact CZ2-CD1 3.35Å; W449-L458 HydrophobicContact CZ2-CD2 4.29Å; W449-L458 HydrophobicContact CZ2-CG 3.63Å; W449-L458 HydrophobicContact CZ3-CD1 4.3Å; W449-L458 HydrophobicContact CZ3-CG 4.19Å
459	R	91	Very high	78.5	Confident	91 Å²	91	70.5 Å²	70.5	34%	0.343	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.7	170.6	-60.7	-71.4	-173.4	174.3	1.9	111	W429 R448 F450 E452 V457	W429-R459 HydrophobicContact CB-CG 4.41Å; W429-R459 HydrophobicContact CG-CB 3.93Å; W429-R459 HydrophobicContact CG-CG 4Å; R448-R459 PolarHBondContact N-O 3.24Å; R448-R459 PolarHBondContact O-N 3.42Å; F450-R459 HydrophobicContact CD2-CB 3.75Å; F450-R459 HydrophobicContact CD2-CG 4.22Å; F450-R459 HydrophobicContact CE2-CB 4.01Å; E452-R459 IonicContact OE1-NH2 2.96Å; E452-R459 PolarHBondContact OE1-NH2 3.44Å; E452-R459 IonicContact OE2-CZ 2.78Å; E452-R459 IonicContact OE2-NE 2.6Å; E452-R459 IonicContact OE2-NH2 3.09Å; E452-R459 PolarHBondContact OE2-NH2 3.05Å; V457-R459 HydrophobicContact CG2-CG 4.25Å
460	P	88	Confident	76.6	Confident	49 Å²	49	75.1 Å²	75.1	32%	0.318	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	139.5	174.8	30.4	-33.6	0	0	0	111.3	W429 V446 L447	W429-P460 PolarHBondContact NE1-O 3.13Å; V446-P460 WeakPolarHBondContact O-CA 3.2Å; L447-P460 HydrophobicContact CD2-CB 4.15Å
461	I	83	Confident	74.7	Confident	4 Å²	4	77.6 Å²	77.6	2%	0.021	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.5	169.1	-172.1	172	0	0	0	109.7	I430 L445 V446 R448 F450 T474	I430-I461 HydrophobicContact CB-CD1 3.88Å; I430-I461 HydrophobicContact CB-CG1 4.42Å; I430-I461 HydrophobicContact CD1-CD1 3.95Å; I430-I461 HydrophobicContact CG1-CD1 4.48Å; I430-I461 HydrophobicContact CG2-CD1 4.26Å; L445-I461 WeakPolarHBondContact CA-O 3.48Å; V446-I461 HydrophobicContact CG2-CG2 3.61Å; V446-I461 PolarHBondContact N-O 3.01Å; V446-I461 WeakPolarHBondContact O-CG2 3.35Å; V446-I461 PolarHBondContact O-N 2.78Å; R448-I461 HydrophobicContact CB-CG2 4.29Å; R448-I461 HydrophobicContact CG-CG2 3.65Å; F450-I461 HydrophobicContact CZ-CD1 4.45Å; I461-T474 HydrophobicContact CD1-CG2 3.85Å
462	S	80.5	Confident	73.4	Confident	12 Å²	12	74.5 Å²	74.5	8%	0.084	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	132.4	172.6	54.4	0	0	0	0	111.7	K433 K444	K433-S462 VanDerWaalsContact N-CB 3.34Å; K433-S462 PolarHBondContact N-OG 3.1Å; K444-S462 CarbonylContact O-C 3.51Å
463	F	75	Confident	72.1	Confident	86 Å²	86	76.9 Å²	76.9	38%	0.377	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.9	170.2	179.8	-100.9	0	0	0	110	K444 V446 P465	K444-F463 PolarHBondContact N-O 2.9Å; K444-F463 PolarHBondContact O-N 3.15Å; V446-F463 HydrophobicContact CG2-CB 4.35Å; F463-P465 HydrophobicContact CD1-CG 4.16Å; F463-P465 HydrophobicContact CE1-CB 4.13Å; F463-P465 HydrophobicContact CE1-CG 3.89Å
464	C	73.7	Confident	71.4	Confident	12 Å²	12	75.9 Å²	75.9	8%	0.081	38%	0.376	C	S	.	.			trans	-115.5	106.6	179.3	-68.8	0	0	0	0	109.1	C436 H466 E467	C436-C464 WeakPolarHBondContact CA-SG 3.25Å; C436-C464 HydrophobicContact CB-CB 3.68Å; C436-C464 WeakPolarHBondContact CB-SG 3.33Å; C436-C464 VanDerWaalsContact SG-CA 3.51Å; C436-C464 WeakPolarHBondContact SG-CB 3.34Å; C436-C464 CovalentContact SG-SG 2.04Å; C436-C464 PolarHBondContact SG-SG 3.42Å; C464-H466 PolarHBondContact O-N 3.45Å; C464-E467 HydrophobicContact CB-CB 3.74Å; C464-E467 HydrophobicContact CB-CG 4.47Å; C464-E467 PolarHBondContact O-N 3.39Å
465	P	65.8	Low	71	Confident	68 Å²	68	65 Å²	65	44%	0.442	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-26.4	-173.8	-21.3	31	0	0	0	114.9	F463	F463-P465 HydrophobicContact CD1-CG 4.16Å; F463-P465 HydrophobicContact CE1-CB 4.13Å; F463-P465 HydrophobicContact CE1-CG 3.89Å
466	H	60.3	Low	70.5	Confident	140 Å²	140	67.3 Å²	67.3	65%	0.648	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	1.5	-173.8	-58.9	-59	0	0	0	113.7	C464	C464-H466 PolarHBondContact O-N 3.45Å
467	E	59.8	Low	70	Confident	30 Å²	30	72.3 Å²	72.3	14%	0.14	36%	0.361	C	S	.	.			trans	-89.5	123.8	-176.7	-137.9	173.5	-170.8	0	0	109.5	K433 A437 C464 H469	K433-E467 IonicContact NZ-OE1 2.75Å; K433-E467 PolarHBondContact NZ-OE1 3.11Å; K433-E467 IonicContact NZ-OE2 2.88Å; K433-E467 PolarHBondContact NZ-OE2 3.35Å; A437-E467 HydrophobicContact CB-CG 4.38Å; A437-E467 WeakPolarHBondContact CB-OE1 3.27Å; A437-E467 PolarHBondContact N-OE1 3.28Å; A437-E467 WeakPolarHBondContact O-CG 3.36Å; C464-E467 HydrophobicContact CB-CB 3.74Å; C464-E467 HydrophobicContact CB-CG 4.47Å; C464-E467 PolarHBondContact O-N 3.39Å; E467-H469 VanDerWaalsContact C-N 3.3Å; E467-H469 WeakPolarHBondContact CG-CE1 3.43Å; E467-H469 VanDerWaalsContact CG-NE2 3.31Å; E467-H469 WeakPolarHBondContact CG-NE2 2.98Å; E467-H469 PolarHBondContact O-N 2.97Å; E467-H469 IonicContact OE1-CE1 2.69Å; E467-H469 PolarHBondContact OE1-CE1 2.67Å; E467-H469 IonicContact OE1-NE2 3.19Å; E467-H469 PolarHBondContact OE1-NE2 2.75Å; E467-H469 IonicContact OE2-CD2 2.77Å; E467-H469 IonicContact OE2-CE1 3.33Å; E467-H469 IonicContact OE2-NE2 3.74Å; E467-H469 PolarHBondContact OE2-NE2 3.01Å
468	S	47.8	Very low	69.8	Low	121 Å²	121	75.1 Å²	75.1	85%	0.846	37%	0.373	S	S	*	.	S	Bend	trans	-70.4	-23.8	-174.5	54.3	0	0	0	0	113.6	L470	S468-L470 PolarHBondContact O-N 2.69Å
469	H	46.9	Very low	69.3	Low	95 Å²	95	74.4 Å²	74.4	44%	0.44	37%	0.374	S	S	.	.	S	Bend	trans	-80.1	106.5	168.7	53.8	-93.3	0	0	0	109.9	K433 E467 P471	K433-H469 PolarHBondContact NZ-NE2 2.97Å; E467-H469 VanDerWaalsContact C-N 3.3Å; E467-H469 WeakPolarHBondContact CG-CE1 3.43Å; E467-H469 VanDerWaalsContact CG-NE2 3.31Å; E467-H469 WeakPolarHBondContact CG-NE2 2.98Å; E467-H469 PolarHBondContact O-N 2.97Å; E467-H469 IonicContact OE1-CE1 2.69Å; E467-H469 PolarHBondContact OE1-CE1 2.67Å; E467-H469 IonicContact OE1-NE2 3.19Å; E467-H469 PolarHBondContact OE1-NE2 2.75Å; E467-H469 IonicContact OE2-CD2 2.77Å; E467-H469 IonicContact OE2-CE1 3.33Å; E467-H469 IonicContact OE2-NE2 3.74Å; E467-H469 PolarHBondContact OE2-NE2 3.01Å; H469-P471 WeakPolarHBondContact O-CD 3.47Å
470	L	45.9	Very low	68.8	Low	142 Å²	142	72.8 Å²	72.8	74%	0.743	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-58	123.3	163.1	-72.2	157.3	0	0	0	107.4	S468	S468-L470 PolarHBondContact O-N 2.69Å
471	P	48	Very low	68.5	Low	52 Å²	52	70.5 Å²	70.5	34%	0.338	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-55.6	151.8	167.4	24.4	-31.5	0	0	0	108.4	H469 Y473	H469-P471 WeakPolarHBondContact O-CD 3.47Å; P471-Y473 PolarHBondContact O-N 3.08Å
472	P	55.5	Low	68.6	Low	40 Å²	40	74 Å²	74	26%	0.26	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-51	143.9	176.5	25.5	-36.3	0	0	0	109.6	S423 I430 T474	S423-P472 WeakPolarHBondContact O-CB 3.33Å; I430-P472 HydrophobicContact CD1-CG 3.53Å; P472-T474 PolarHBondContact O-N 3.33Å
473	Y	58.3	Low	68.4	Low	143 Å²	143	78.4 Å²	78.4	56%	0.561	39%	0.393	S	S	*	.	B	Isolated β-bridge	trans	-54.3	129.7	-178.9	-76.5	-87.2	0	0	0	109.3	E424 F425 S426 P471	E424-Y473 HydrophobicContact CG-CD2 3.86Å; E424-Y473 HydrophobicContact CG-CE2 4.28Å; E424-Y473 WeakPolarHBondContact O-CA 3.3Å; E424-Y473 WeakPolarHBondContact O-CB 3.23Å; E424-Y473 WeakPolarHBondContact O-CD2 3.4Å; E424-Y473 PolarHBondContact O-N 2.98Å; F425-Y473 VanDerWaalsContact CA-O 3.28Å; F425-Y473 WeakPolarHBondContact CA-O 3.42Å; F425-Y473 HydrophobicContact CE1-CG 4.29Å; S426-Y473 PolarHBondContact N-O 3.3Å; S426-Y473 VanDerWaalsContact N-O 3.07Å; P471-Y473 PolarHBondContact O-N 3.08Å
474	T	70.2	Confident	68.4	Low	24 Å²	24	76.1 Å²	76.1	15%	0.147	38%	0.384	C	S	.	.			trans	-114.6	141.2	177.2	45.4	0	0	0	0	107.6	I430 R448 F450 I461 P472 R476	I430-T474 HydrophobicContact CD1-CG2 4.36Å; R448-T474 WeakPolarHBondContact CD-OG1 3.2Å; R448-T474 VanDerWaalsContact CG-OG1 3.27Å; R448-T474 WeakPolarHBondContact CG-OG1 3.22Å; F450-T474 HydrophobicContact CE1-CG2 3.65Å; F450-T474 HydrophobicContact CZ-CG2 3.66Å; I461-T474 HydrophobicContact CD1-CG2 3.85Å; P472-T474 PolarHBondContact O-N 3.33Å; T474-R476 PolarHBondContact O-N 3.44Å
475	F	77.5	Confident	68.7	Low	9 Å²	9	75.8 Å²	75.8	4%	0.039	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-73.1	124.5	-169.3	-56.6	-72.1	0	0	0	111	F425 R448 W449 D480 C481 M484 C485	F425-F475 HydrophobicContact CB-CE1 4.39Å; F425-F475 HydrophobicContact CB-CE2 4.44Å; F425-F475 HydrophobicContact CB-CZ 3.74Å; F425-F475 AromaticContact CD1-CE1 3.77Å; F425-F475 HydrophobicContact CD1-CE1 3.77Å; F425-F475 AromaticContact CD1-CZ 4Å; F425-F475 HydrophobicContact CD1-CZ 4Å; F425-F475 HydrophobicContact CG-CE1 4.31Å; F425-F475 HydrophobicContact CG-CZ 4.12Å; R448-F475 WeakPolarHBondContact CA-O 3.25Å; W449-F475 HydrophobicContact CB-CB 4.1Å; W449-F475 PolarHBondContact N-O 3.38Å; F475-D480 HydrophobicContact CB-CB 4.28Å; F475-D480 HydrophobicContact CD1-CB 3.66Å; F475-D480 HydrophobicContact CG-CB 4.33Å; F475-C481 HydrophobicContact CB-CB 3.79Å; F475-C481 HydrophobicContact CD2-CB 3.77Å; F475-C481 HydrophobicContact CG-CB 3.83Å; F475-M484 HydrophobicContact CE1-CB 3.53Å; F475-M484 HydrophobicContact CE1-CG 3.65Å; F475-M484 HydrophobicContact CE2-CB 4.46Å; F475-M484 HydrophobicContact CZ-CB 3.46Å; F475-M484 VanDerWaalsContact CZ-CB 3.46Å; F475-M484 HydrophobicContact CZ-CG 4.11Å; F475-C485 WeakPolarHBondContact CE2-SG 3.42Å
476	R	78	Confident	69.4	Low	180 Å²	180	75 Å²	75	68%	0.679	37%	0.374	S	S	*	.	S	Bend	trans	-77.6	-37.8	175.7	-179.3	177.5	178.8	173.5	-1	111.1	W449 T474	W449-R476 VanDerWaalsContact CD1-O 3.3Å; W449-R476 PolarHBondContact NE1-O 3.11Å; T474-R476 PolarHBondContact O-N 3.44Å
477	F	81.8	Confident	70	Confident	114 Å²	114	69.4 Å²	69.4	50%	0.5	35%	0.354	S	S	.	.	S	Bend	trans	-106.2	149.1	179.7	-55.7	-71.7	0	0	0	110.7	W449 S479 D480 C481	W449-F477 VanDerWaalsContact CD1-C 3.45Å; F477-S479 VanDerWaalsContact C-N 3.33Å; F477-D480 WeakPolarHBondContact CD2-OD2 3.49Å; F477-D480 PolarHBondContact O-N 2.87Å; F477-C481 PolarHBondContact O-N 3.34Å
478	Q	86.7	Confident	70.2	Confident	83 Å²	83	72.9 Å²	72.9	39%	0.388	38%	0.38	S	S	.	.	H	α-helix	trans	-62.5	-42.9	177.3	-175.9	177.3	-14.6	0	0	111.1	W449 C456 D480 C481 E482	W449-Q478 HydrophobicContact CD2-CB 3.77Å; W449-Q478 HydrophobicContact CD2-CG 4.14Å; W449-Q478 HydrophobicContact CE3-CB 3.95Å; W449-Q478 HydrophobicContact CE3-CG 3.78Å; W449-Q478 HydrophobicContact CG-CB 4.41Å; W449-Q478 HydrophobicContact CH2-CB 3.86Å; W449-Q478 HydrophobicContact CH2-CG 3.89Å; W449-Q478 HydrophobicContact CZ2-CB 3.69Å; W449-Q478 HydrophobicContact CZ2-CG 4.25Å; W449-Q478 HydrophobicContact CZ3-CB 3.99Å; W449-Q478 HydrophobicContact CZ3-CG 3.64Å; C456-Q478 HydrophobicContact CB-CG 4.3Å; Q478-D480 VanDerWaalsContact C-N 3.27Å; Q478-D480 PolarHBondContact O-N 2.78Å; Q478-C481 WeakPolarHBondContact O-CB 3.2Å; Q478-C481 PolarHBondContact O-N 3.42Å; Q478-C481 VanDerWaalsContact O-N 3.09Å; Q478-E482 HydrophobicContact CG-CG 4.23Å; Q478-E482 WeakPolarHBondContact CG-OE1 3.23Å; Q478-E482 PolarHBondContact NE2-OE1 3.42Å; Q478-E482 WeakPolarHBondContact O-CG 3.32Å; Q478-E482 PolarHBondContact O-N 3.41Å
479	S	81.5	Confident	70.6	Confident	67 Å²	67	72.2 Å²	72.2	47%	0.469	36%	0.359	S	S	.	.	H	α-helix	trans	-53.1	-44.1	178.5	50.7	0	0	0	0	112.3	F477 C481 E482 E483	F477-S479 VanDerWaalsContact C-N 3.33Å; S479-C481 VanDerWaalsContact C-N 3.34Å; S479-C481 PolarHBondContact O-N 2.56Å; S479-E482 PolarHBondContact O-N 2.88Å; S479-E483 WeakPolarHBondContact O-CB 3.15Å; S479-E483 PolarHBondContact O-N 2.74Å
480	D	80.3	Confident	71	Confident	58 Å²	58	69.4 Å²	69.4	31%	0.31	35%	0.352	S	S	.	.	H	α-helix	trans	-67.4	-38.5	-178.3	-50.2	-12.4	0	0	0	110.7	F475 F477 Q478 M484	F475-D480 HydrophobicContact CB-CB 4.28Å; F475-D480 HydrophobicContact CD1-CB 3.66Å; F475-D480 HydrophobicContact CG-CB 4.33Å; F477-D480 WeakPolarHBondContact CD2-OD2 3.49Å; F477-D480 PolarHBondContact O-N 2.87Å; Q478-D480 VanDerWaalsContact C-N 3.27Å; Q478-D480 PolarHBondContact O-N 2.78Å; D480-M484 WeakPolarHBondContact O-CB 3.47Å; D480-M484 WeakPolarHBondContact O-CG 3.42Å; D480-M484 PolarHBondContact O-N 3.08Å
481	C	82.5	Confident	71.3	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-65.6	-42.9	173.6	173.6	0	0	0	0	111.2	W449 C456 F475 F477 Q478 S479 C485	W449-C481 HydrophobicContact CB-CB 3.64Å; C456-C481 HydrophobicContact CB-CB 3.81Å; C456-C481 WeakPolarHBondContact CB-SG 3.02Å; C456-C481 WeakPolarHBondContact SG-CB 3.49Å; C456-C481 PolarHBondContact SG-O 2.78Å; C456-C481 CovalentContact SG-SG 2.05Å; C456-C481 PolarHBondContact SG-SG 3.4Å; F475-C481 HydrophobicContact CB-CB 3.79Å; F475-C481 HydrophobicContact CD2-CB 3.77Å; F475-C481 HydrophobicContact CG-CB 3.83Å; F477-C481 PolarHBondContact O-N 3.34Å; Q478-C481 WeakPolarHBondContact O-CB 3.2Å; Q478-C481 PolarHBondContact O-N 3.42Å; Q478-C481 VanDerWaalsContact O-N 3.09Å; S479-C481 VanDerWaalsContact C-N 3.34Å; S479-C481 PolarHBondContact O-N 2.56Å; C481-C485 WeakPolarHBondContact O-CA 3.47Å; C481-C485 WeakPolarHBondContact O-CB 3.19Å; C481-C485 PolarHBondContact O-N 3.43Å
482	E	83.8	Confident	71.2	Confident	78 Å²	78	72.8 Å²	72.8	36%	0.364	37%	0.374	S	S	.	.	I	π-helix	trans	-64.8	-47	179.6	-69.8	176.9	169.6	0	0	110.5	C456 Q478 S479 M484 L486 G487	C456-E482 HydrophobicContact CB-CG 4.09Å; C456-E482 PolarHBondContact SG-N 2.04Å; C456-E482 VanDerWaalsContact SG-N 3.39Å; Q478-E482 HydrophobicContact CG-CG 4.23Å; Q478-E482 WeakPolarHBondContact CG-OE1 3.23Å; Q478-E482 PolarHBondContact NE2-OE1 3.42Å; Q478-E482 WeakPolarHBondContact O-CG 3.32Å; Q478-E482 PolarHBondContact O-N 3.41Å; S479-E482 PolarHBondContact O-N 2.88Å; E482-M484 PolarHBondContact O-N 2.76Å; E482-L486 HydrophobicContact CG-CD1 4.2Å; E482-L486 CarbonylContact O-C 3.53Å; E482-L486 WeakPolarHBondContact O-CA 3.25Å; E482-L486 WeakPolarHBondContact O-CB 3.44Å; E482-L486 PolarHBondContact O-N 2.76Å; E482-G487 PolarHBondContact O-N 2.73Å
483	E	77.7	Confident	70.8	Confident	104 Å²	104	72.6 Å²	72.6	49%	0.486	37%	0.371	S	S	.	.	I	π-helix	trans	-64	-43	179	-174.2	172.3	-172.4	0	0	112.3	S479 G487 Y489	S479-E483 WeakPolarHBondContact O-CB 3.15Å; S479-E483 PolarHBondContact O-N 2.74Å; E483-G487 WeakPolarHBondContact O-CA 3.25Å; E483-Y489 HydrophobicContact CG-CD2 3.93Å; E483-Y489 HydrophobicContact CG-CE2 4.07Å
484	M	75	Confident	70.1	Confident	38 Å²	38	69.6 Å²	69.6	19%	0.187	37%	0.369	C	S	.	.	I	π-helix	trans	-86.1	-32.4	-173.5	-64.2	-73	-80.7	0	0	113.3	F425 F475 D480 E482 A490 L493	F425-M484 HydrophobicContact CD1-CE 4.29Å; F425-M484 HydrophobicContact CD2-CE 3.73Å; F425-M484 HydrophobicContact CE1-CE 4.25Å; F425-M484 HydrophobicContact CE2-CE 3.69Å; F425-M484 HydrophobicContact CG-CE 4.04Å; F425-M484 HydrophobicContact CZ-CE 3.97Å; F475-M484 HydrophobicContact CE1-CB 3.53Å; F475-M484 HydrophobicContact CE1-CG 3.65Å; F475-M484 HydrophobicContact CE2-CB 4.46Å; F475-M484 HydrophobicContact CZ-CB 3.46Å; F475-M484 VanDerWaalsContact CZ-CB 3.46Å; F475-M484 HydrophobicContact CZ-CG 4.11Å; D480-M484 WeakPolarHBondContact O-CB 3.47Å; D480-M484 WeakPolarHBondContact O-CG 3.42Å; D480-M484 PolarHBondContact O-N 3.08Å; E482-M484 PolarHBondContact O-N 2.76Å; M484-A490 VanDerWaalsContact O-CA 3.23Å; M484-A490 WeakPolarHBondContact O-CA 3.36Å; M484-A490 PolarHBondContact O-N 3.04Å; M484-L493 HydrophobicContact CB-CD1 4.04Å; M484-L493 HydrophobicContact CE-CD1 3.78Å; M484-L493 HydrophobicContact CE-CD2 3.79Å; M484-L493 HydrophobicContact CE-CG 4.39Å; M484-L493 VanDerWaalsContact O-CD1 3.25Å; M484-L493 WeakPolarHBondContact O-CD1 3.48Å; M484-L493 HydrophobicContact SD-CD1 4.3Å
485	C	79.8	Confident	68.5	Low	5 Å²	5	70.3 Å²	70.3	3%	0.034	37%	0.374	C	S	.	.	I	π-helix	trans	-110	-25.3	-173.9	-58.4	0	0	0	0	115	C427 R451 F475 C481 A490	C427-C485 WeakPolarHBondContact CA-SG 3.09Å; C427-C485 HydrophobicContact CB-CB 3.75Å; C427-C485 WeakPolarHBondContact CB-SG 3.18Å; C427-C485 VanDerWaalsContact SG-CA 3.52Å; C427-C485 WeakPolarHBondContact SG-CB 3.48Å; C427-C485 CovalentContact SG-SG 2.04Å; C427-C485 PolarHBondContact SG-SG 3.03Å; R451-C485 HydrophobicContact CB-CB 3.95Å; R451-C485 VanDerWaalsContact CD-O 3.26Å; R451-C485 WeakPolarHBondContact CD-O 3.38Å; F475-C485 WeakPolarHBondContact CE2-SG 3.42Å; C481-C485 WeakPolarHBondContact O-CA 3.47Å; C481-C485 WeakPolarHBondContact O-CB 3.19Å; C481-C485 PolarHBondContact O-N 3.43Å; C485-A490 VanDerWaalsContact O-CB 3.27Å; C485-A490 WeakPolarHBondContact O-CB 3.05Å
486	L	79.6	Confident	66.5	Low	51 Å²	51	75.9 Å²	75.9	27%	0.267	39%	0.394	S	S	.	.	I	π-helix	trans	-110.1	-21.5	176.4	-61.7	173.2	0	0	0	112.3	R451 W454 E482	R451-L486 HydrophobicContact CG-CD2 3.77Å; R451-L486 HydrophobicContact CG-CG 4.48Å; W454-L486 HydrophobicContact CE3-CD2 4.49Å; W454-L486 WeakPolarHBondContact O-CD1 3.48Å; E482-L486 HydrophobicContact CG-CD1 4.2Å; E482-L486 CarbonylContact O-C 3.53Å; E482-L486 WeakPolarHBondContact O-CA 3.25Å; E482-L486 WeakPolarHBondContact O-CB 3.44Å; E482-L486 PolarHBondContact O-N 2.76Å
487	G	73.8	Confident	64.1	Low	23 Å²	23	77.2 Å²	77.2	24%	0.237	40%	0.401	C	S	.	.	S	Bend	trans	-82.2	-173.4	-178.2	0	0	0	0	0	114.2	E482 E483 Y489 A490	E482-G487 PolarHBondContact O-N 2.73Å; E483-G487 WeakPolarHBondContact O-CA 3.25Å; G487-Y489 PolarHBondContact O-N 2.86Å; G487-Y489 VanDerWaalsContact O-N 3.08Å; G487-A490 WeakPolarHBondContact O-CB 3.39Å; G487-A490 PolarHBondContact O-N 2.93Å; G487-A490 VanDerWaalsContact O-N 3.08Å
488	P	62.9	Low	61.6	Low	104 Å²	104	77 Å²	77	68%	0.675	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.4	-175.4	27.9	-35.4	0	0	0	113.6
489	Y	56.1	Low	58.6	Low	107 Å²	107	81.1 Å²	81.1	42%	0.42	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-17.4	177.2	-61.3	-70.8	0	0	0	113.3	E483 G487 A491 K492 L493	E483-Y489 HydrophobicContact CG-CD2 3.93Å; E483-Y489 HydrophobicContact CG-CE2 4.07Å; G487-Y489 PolarHBondContact O-N 2.86Å; G487-Y489 VanDerWaalsContact O-N 3.08Å; Y489-A491 PolarHBondContact O-N 2.66Å; Y489-A491 VanDerWaalsContact O-N 3.13Å; Y489-K492 PolarHBondContact O-N 3.49Å; Y489-L493 WeakPolarHBondContact O-CG 3.46Å; Y489-L493 PolarHBondContact O-N 3.27Å; Y489-L493 VanDerWaalsContact O-N 3.16Å
490	A	55.8	Low	57.5	Low	36 Å²	36	81.8 Å²	81.8	30%	0.298	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-34.1	-176.6	0	0	0	0	0	113.3	M484 C485 G487	M484-A490 VanDerWaalsContact O-CA 3.23Å; M484-A490 WeakPolarHBondContact O-CA 3.36Å; M484-A490 PolarHBondContact O-N 3.04Å; C485-A490 VanDerWaalsContact O-CB 3.27Å; C485-A490 WeakPolarHBondContact O-CB 3.05Å; G487-A490 WeakPolarHBondContact O-CB 3.39Å; G487-A490 PolarHBondContact O-N 2.93Å; G487-A490 VanDerWaalsContact O-N 3.08Å
491	A	51.9	Low	56.3	Low	101 Å²	101	83.1 Å²	83.1	84%	0.835	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-14.6	177	0	0	0	0	0	114.1	Y489	Y489-A491 PolarHBondContact O-N 2.66Å; Y489-A491 VanDerWaalsContact O-N 3.13Å
492	K	47.4	Very low	54.8	Low	163 Å²	163	87.7 Å²	87.7	71%	0.709	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-14.5	-177	-64.9	-176.9	-179.9	178.3	0	113.1	Y489	Y489-K492 PolarHBondContact O-N 3.49Å
493	L	46.7	Very low	53.1	Low	37 Å²	37	88.2 Å²	88.2	19%	0.194	50%	0.497	C	S	.	.	S	Bend	trans	-82.7	137.1	179.5	-68.5	169.5	0	0	0	110.1	F425 M484 Y489 V495	F425-L493 HydrophobicContact CD2-CD2 4.04Å; F425-L493 HydrophobicContact CE2-CD2 4.47Å; M484-L493 HydrophobicContact CB-CD1 4.04Å; M484-L493 HydrophobicContact CE-CD1 3.78Å; M484-L493 HydrophobicContact CE-CD2 3.79Å; M484-L493 HydrophobicContact CE-CG 4.39Å; M484-L493 VanDerWaalsContact O-CD1 3.25Å; M484-L493 WeakPolarHBondContact O-CD1 3.48Å; M484-L493 HydrophobicContact SD-CD1 4.3Å; Y489-L493 WeakPolarHBondContact O-CG 3.46Å; Y489-L493 PolarHBondContact O-N 3.27Å; Y489-L493 VanDerWaalsContact O-N 3.16Å; L493-V495 HydrophobicContact CB-CG2 3.73Å; L493-V495 PolarHBondContact O-N 3.17Å
494	P	42.7	Very low	51.6	Low	79 Å²	79	87.3 Å²	87.3	51%	0.513	50%	0.497	S	S	.	.			trans	-72.9	76.7	170.7	30.2	-32.3	0	0	0	108.2	V421 S423	V421-P494 HydrophobicContact CG1-CB 4.46Å; V421-P494 HydrophobicContact CG1-CG 3.78Å; S423-P494 WeakPolarHBondContact CA-O 3.3Å; S423-P494 WeakPolarHBondContact CB-O 3.16Å
495	V	37.2	Very low	50	Low	40 Å²	40	90.5 Å²	90.5	24%	0.242	52%	0.518	C	S	.	.			trans	-84.1	134.6	179.4	-173.6	0	0	0	0	109.5	C427 L493 Y497	C427-V495 HydrophobicContact CB-CG1 4.36Å; L493-V495 HydrophobicContact CB-CG2 3.73Å; L493-V495 PolarHBondContact O-N 3.17Å; V495-Y497 PolarHBondContact O-N 3.11Å
496	R	34.6	Very low	47.9	Very low	125 Å²	125	96.6 Å²	96.6	47%	0.472	55%	0.553	S	S	.	*			trans	-70.5	116.2	169.8	-133.4	-175.3	-173	-158.7	-0.7	108.9	V498	R496-V498 PolarHBondContact O-N 3.05Å
497	Y	28	Very low	45.5	Very low	208 Å²	208	100.2 Å²	100.2	82%	0.816	58%	0.575	S	S	*	*			trans	-78.8	104.8	156.8	-72	-87	0	0	0	107	V495	V495-Y497 PolarHBondContact O-N 3.11Å
498	V	28.7	Very low	43.1	Very low	111 Å²	111	106.6 Å²	106.6	67%	0.673	60%	0.603	S	S	*	*			trans	-89.3	112.1	159.8	-175.8	0	0	0	0	104.8	R496	R496-V498 PolarHBondContact O-N 3.05Å
499	A	25.2	Very low	41.3	Very low	168 Å²	168	106.8 Å²	106.8	100%	1.388	60%	0.596	S	S	*	*			trans	-70.9	0	169.2	0	0	0	0	0	110.1

Retrieved 499 of 499 residues in 138.4 ms (Link to these results)

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