A0A077Z346_TRITR Loading...

Collagen type IV alpha 3 binding protein

AlphaFold DB , UniProt , Accession A0A077Z346, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 695 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	37.3	Very low	51.2	Low	193 Å²	193	109.4 Å²	109.4	95%	0.951	60%	0.597	S	S	*	*				0	-56.2	0	-84.2	170.9	173.3	0	0	113	H3 I4 T5	M1-H3 VanDerWaalsContact C-N 3.29Å; M1-H3 PolarHBondContact O-N 3.24Å; M1-I4 PolarHBondContact O-N 3.18Å; M1-T5 PolarHBondContact O-N 3.45Å; M1-T5 VanDerWaalsContact O-N 3.1Å; M1-T5 PolarHBondContact O-OG1 2.71Å
2	N	31.8	Very low	52.2	Low	142 Å²	142	107.8 Å²	107.8	76%	0.759	59%	0.587	S	S	*	*	H	α-helix	trans	-57.2	-32.9	-177.9	-67.5	-8.8	0	0	0	115.4	T5 S6	N2-T5 WeakPolarHBondContact CA-OG1 3.34Å; N2-T5 PolarHBondContact O-OG1 3.4Å; N2-T5 VanDerWaalsContact O-OG1 3.08Å; N2-S6 WeakPolarHBondContact O-CB 3.39Å; N2-S6 PolarHBondContact O-N 2.79Å; N2-S6 VanDerWaalsContact O-N 3.11Å
3	H	34.4	Very low	53.2	Low	152 Å²	152	105.5 Å²	105.5	70%	0.704	57%	0.574	S	S	*	*	H	α-helix	trans	-72.2	-33.6	175.1	-108.8	-46.9	0	0	0	113.4	M1 S6 L7	M1-H3 VanDerWaalsContact C-N 3.29Å; M1-H3 PolarHBondContact O-N 3.24Å; H3-S6 PolarHBondContact O-N 2.97Å; H3-L7 PolarHBondContact O-N 3.12Å; H3-L7 VanDerWaalsContact O-N 3.09Å
4	I	45.2	Very low	54.5	Low	132 Å²	132	106.1 Å²	106.1	68%	0.677	58%	0.576	S	S	*	*	H	α-helix	trans	-72.4	-41.1	179.2	-63.9	172.5	0	0	0	109.9	M1 G8	M1-I4 PolarHBondContact O-N 3.18Å; I4-G8 PolarHBondContact O-N 2.92Å
5	T	60	Low	54.6	Low	86 Å²	86	102.3 Å²	102.3	53%	0.528	56%	0.564	S	S	.	*	H	α-helix	trans	-66.5	-37.2	173.9	39	0	0	0	0	112.2	M1 N2 M9	M1-T5 PolarHBondContact O-N 3.45Å; M1-T5 VanDerWaalsContact O-N 3.1Å; M1-T5 PolarHBondContact O-OG1 2.71Å; N2-T5 WeakPolarHBondContact CA-OG1 3.34Å; N2-T5 PolarHBondContact O-OG1 3.4Å; N2-T5 VanDerWaalsContact O-OG1 3.08Å; T5-M9 WeakPolarHBondContact O-CB 3.45Å; T5-M9 PolarHBondContact O-N 2.62Å
6	S	52.8	Low	54.9	Low	51 Å²	51	102.4 Å²	102.4	36%	0.357	56%	0.557	S	S	.	*	H	α-helix	trans	-63	-47.7	175.3	-173.9	0	0	0	0	112.4	N2 H3 M9 Q10	N2-S6 WeakPolarHBondContact O-CB 3.39Å; N2-S6 PolarHBondContact O-N 2.79Å; N2-S6 VanDerWaalsContact O-N 3.11Å; H3-S6 PolarHBondContact O-N 2.97Å; S6-M9 PolarHBondContact O-N 2.88Å; S6-Q10 WeakPolarHBondContact O-CG 3.29Å; S6-Q10 PolarHBondContact O-N 3.01Å
7	L	58.7	Low	55.2	Low	88 Å²	88	106.1 Å²	106.1	46%	0.461	56%	0.561	S	S	.	*	H	α-helix	trans	-65.1	-42.6	177.8	-76.5	163.4	0	0	0	111.9	H3 M9 Q10 S11	H3-L7 PolarHBondContact O-N 3.12Å; H3-L7 VanDerWaalsContact O-N 3.09Å; L7-M9 VanDerWaalsContact C-N 3.32Å; L7-M9 PolarHBondContact O-N 2.94Å; L7-Q10 PolarHBondContact O-N 3.36Å; L7-S11 PolarHBondContact O-N 3.11Å; L7-S11 PolarHBondContact O-OG 3.31Å
8	G	58.4	Low	55.6	Low	42 Å²	42	104.9 Å²	104.9	43%	0.433	56%	0.559	S	S	.	*	H	α-helix	trans	-59.7	-40.6	174.3	0	0	0	0	0	112.8	I4 S11 L12	I4-G8 PolarHBondContact O-N 2.92Å; G8-S11 PolarHBondContact O-N 3.32Å; G8-L12 WeakPolarHBondContact O-CB 3.5Å; G8-L12 PolarHBondContact O-N 3.4Å
9	M	60	Low	55.6	Low	113 Å²	113	104.8 Å²	104.8	56%	0.557	56%	0.557	S	S	*	*	H	α-helix	trans	-67.7	-37	177.3	-156	81.9	76.4	0	0	112.1	T5 S6 L7 N13	T5-M9 WeakPolarHBondContact O-CB 3.45Å; T5-M9 PolarHBondContact O-N 2.62Å; S6-M9 PolarHBondContact O-N 2.88Å; L7-M9 VanDerWaalsContact C-N 3.32Å; L7-M9 PolarHBondContact O-N 2.94Å; M9-N13 WeakPolarHBondContact O-CB 3.34Å; M9-N13 VanDerWaalsContact O-CG 3.28Å; M9-N13 PolarHBondContact O-N 3.4Å; M9-N13 PolarHBondContact O-ND2 3.24Å
10	Q	64.4	Low	55.5	Low	122 Å²	122	108.5 Å²	108.5	57%	0.57	56%	0.563	S	S	*	*	H	α-helix	trans	-66.6	-45.5	176.3	-72	177.8	16.5	0	0	111.6	S6 L7 L12 N13 L14	S6-Q10 WeakPolarHBondContact O-CG 3.29Å; S6-Q10 PolarHBondContact O-N 3.01Å; L7-Q10 PolarHBondContact O-N 3.36Å; Q10-L12 PolarHBondContact O-N 3.31Å; Q10-N13 PolarHBondContact O-N 2.99Å; Q10-L14 PolarHBondContact O-N 3.08Å
11	S	60	Low	55.3	Low	82 Å²	82	112.7 Å²	112.7	57%	0.573	57%	0.571	S	S	*	*	H	α-helix	trans	-61.8	-42.7	176.2	-65.5	0	0	0	0	112.3	L7 G8 N13 L14 A15	L7-S11 PolarHBondContact O-N 3.11Å; L7-S11 PolarHBondContact O-OG 3.31Å; G8-S11 PolarHBondContact O-N 3.32Å; S11-N13 PolarHBondContact O-N 3.44Å; S11-L14 PolarHBondContact O-N 3.2Å; S11-A15 PolarHBondContact O-N 3.01Å
12	L	63.1	Low	55.6	Low	91 Å²	91	106.3 Å²	106.3	48%	0.476	55%	0.549	S	S	.	.	H	α-helix	trans	-63.4	-40.7	176.2	-168.5	76.6	0	0	0	111.9	G8 Q10 A15 K16	G8-L12 WeakPolarHBondContact O-CB 3.5Å; G8-L12 PolarHBondContact O-N 3.4Å; Q10-L12 PolarHBondContact O-N 3.31Å; L12-A15 PolarHBondContact O-N 2.75Å; L12-K16 WeakPolarHBondContact O-CG 3.36Å; L12-K16 PolarHBondContact O-N 3.41Å
13	N	65.3	Low	56.3	Low	77 Å²	77	105.1 Å²	105.1	41%	0.412	54%	0.542	S	S	.	.	H	α-helix	trans	-67.8	-35.7	177.7	-79.5	-42.2	0	0	0	112.5	M9 Q10 S11 R17	M9-N13 WeakPolarHBondContact O-CB 3.34Å; M9-N13 VanDerWaalsContact O-CG 3.28Å; M9-N13 PolarHBondContact O-N 3.4Å; M9-N13 PolarHBondContact O-ND2 3.24Å; Q10-N13 PolarHBondContact O-N 2.99Å; S11-N13 PolarHBondContact O-N 3.44Å; N13-R17 WeakPolarHBondContact O-CG 3.25Å; N13-R17 PolarHBondContact O-N 2.72Å; N13-R17 VanDerWaalsContact O-N 3.09Å
14	L	71.8	Confident	56.7	Low	115 Å²	115	101.5 Å²	101.5	60%	0.602	54%	0.538	S	S	*	.	H	α-helix	trans	-65.5	-47.5	174.5	-173.6	63.5	0	0	0	111	Q10 S11 K16 R17 T18	Q10-L14 PolarHBondContact O-N 3.08Å; S11-L14 PolarHBondContact O-N 3.2Å; L14-K16 PolarHBondContact O-N 3.36Å; L14-R17 PolarHBondContact O-N 2.85Å; L14-R17 VanDerWaalsContact O-N 3.14Å; L14-T18 PolarHBondContact O-N 2.86Å; L14-T18 PolarHBondContact O-OG1 3.14Å; L14-T18 VanDerWaalsContact O-OG1 3.11Å
15	A	55.8	Low	56.3	Low	48 Å²	48	100 Å²	100	40%	0.397	54%	0.54	S	S	.	.	H	α-helix	trans	-57.8	-45.9	176.2	0	0	0	0	0	112.1	S11 L12 R17 T18 I19	S11-A15 PolarHBondContact O-N 3.01Å; L12-A15 PolarHBondContact O-N 2.75Å; A15-R17 VanDerWaalsContact C-N 3.32Å; A15-R17 PolarHBondContact O-N 3.13Å; A15-T18 PolarHBondContact O-N 3.43Å; A15-I19 WeakPolarHBondContact O-CG1 3.23Å; A15-I19 PolarHBondContact O-N 3.42Å
16	K	60.1	Low	55	Low	105 Å²	105	99.4 Å²	99.4	46%	0.457	54%	0.539	S	S	.	.	H	α-helix	trans	-59.2	-39.4	175.7	-75.5	176.5	179	179.4	0	112.7	L12 L14 R20	L12-K16 WeakPolarHBondContact O-CG 3.36Å; L12-K16 PolarHBondContact O-N 3.41Å; L14-K16 PolarHBondContact O-N 3.36Å; K16-R20 WeakPolarHBondContact O-CG 3.34Å; K16-R20 PolarHBondContact O-N 3.28Å
17	R	58.6	Low	53.8	Low	165 Å²	165	105.4 Å²	105.4	62%	0.623	56%	0.561	S	S	*	*	H	α-helix	trans	-67.5	-41	177	-76.2	177	-177.4	176.8	1.4	112	N13 L14 A15 R20 R21	N13-R17 WeakPolarHBondContact O-CG 3.25Å; N13-R17 PolarHBondContact O-N 2.72Å; N13-R17 VanDerWaalsContact O-N 3.09Å; L14-R17 PolarHBondContact O-N 2.85Å; L14-R17 VanDerWaalsContact O-N 3.14Å; A15-R17 VanDerWaalsContact C-N 3.32Å; A15-R17 PolarHBondContact O-N 3.13Å; R17-R20 PolarHBondContact O-N 2.92Å; R17-R21 PolarHBondContact O-N 3.45Å
18	T	62.9	Low	52.5	Low	85 Å²	85	107 Å²	107	52%	0.521	58%	0.577	S	S	.	*	H	α-helix	trans	-64.7	-44.7	178.1	-53.8	0	0	0	0	111.3	L14 A15 R21 A22	L14-T18 PolarHBondContact O-N 2.86Å; L14-T18 PolarHBondContact O-OG1 3.14Å; L14-T18 VanDerWaalsContact O-OG1 3.11Å; A15-T18 PolarHBondContact O-N 3.43Å; T18-R21 PolarHBondContact O-N 2.87Å; T18-A22 PolarHBondContact O-N 3.13Å
19	I	55.6	Low	50.9	Low	102 Å²	102	110.7 Å²	110.7	52%	0.523	60%	0.596	S	S	.	*	H	α-helix	trans	-63	-43.8	176.7	-66.3	167.2	0	0	0	111	A15 R21 A22 L23	A15-I19 WeakPolarHBondContact O-CG1 3.23Å; A15-I19 PolarHBondContact O-N 3.42Å; I19-R21 VanDerWaalsContact C-N 3.32Å; I19-R21 PolarHBondContact O-N 3.06Å; I19-A22 PolarHBondContact O-N 3.27Å; I19-L23 HydrophobicContact CG2-CD1 3.76Å; I19-L23 HydrophobicContact CG2-CG 4.26Å; I19-L23 WeakPolarHBondContact O-CG 3.37Å; I19-L23 PolarHBondContact O-N 2.89Å
20	R	54.4	Low	49.4	Very low	178 Å²	178	111 Å²	111	67%	0.672	61%	0.607	S	S	*	*	H	α-helix	trans	-60.9	-38.5	176.1	-77.8	-178.6	-170.2	160.5	2.1	112.9	K16 R17 A24	K16-R20 WeakPolarHBondContact O-CG 3.34Å; K16-R20 PolarHBondContact O-N 3.28Å; R17-R20 PolarHBondContact O-N 2.92Å; R20-A24 VanDerWaalsContact O-CB 3.29Å; R20-A24 WeakPolarHBondContact O-CB 3.36Å; R20-A24 PolarHBondContact O-N 3.27Å
21	R	50.6	Low	47.5	Very low	198 Å²	198	114 Å²	114	75%	0.747	62%	0.621	S	S	*	*	H	α-helix	trans	-66.8	-39.4	175.6	-76.3	-177.8	-173.9	166.1	0.5	112	R17 T18 I19	R17-R21 PolarHBondContact O-N 3.45Å; T18-R21 PolarHBondContact O-N 2.87Å; I19-R21 VanDerWaalsContact C-N 3.32Å; I19-R21 PolarHBondContact O-N 3.06Å
22	A	42.7	Very low	45.8	Very low	58 Å²	58	116.4 Å²	116.4	48%	0.479	63%	0.632	S	S	.	*	H	α-helix	trans	-64.6	-46.6	176.6	0	0	0	0	0	111.4	T18 I19 A24 S25	T18-A22 PolarHBondContact O-N 3.13Å; I19-A22 PolarHBondContact O-N 3.27Å; A22-A24 PolarHBondContact O-N 2.98Å; A22-S25 PolarHBondContact O-N 3.33Å; A22-S25 PolarHBondContact O-OG 3Å
23	L	47.5	Very low	43.9	Very low	117 Å²	117	117.6 Å²	117.6	61%	0.613	65%	0.648	S	S	*	*	H	α-helix	trans	-68.1	-32.6	179.8	-68.3	172.9	0	0	0	113.3	I19 S25 S26	I19-L23 HydrophobicContact CG2-CD1 3.76Å; I19-L23 HydrophobicContact CG2-CG 4.26Å; I19-L23 WeakPolarHBondContact O-CG 3.37Å; I19-L23 PolarHBondContact O-N 2.89Å; L23-S25 PolarHBondContact O-N 3.26Å; L23-S26 PolarHBondContact O-N 2.77Å; L23-S26 PolarHBondContact O-OG 2.85Å
24	A	43.1	Very low	42	Very low	76 Å²	76	122 Å²	122	63%	0.628	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-14.2	176.1	0	0	0	0	0	113.5	R20 A22	R20-A24 VanDerWaalsContact O-CB 3.29Å; R20-A24 WeakPolarHBondContact O-CB 3.36Å; R20-A24 PolarHBondContact O-N 3.27Å; A22-A24 PolarHBondContact O-N 2.98Å
25	S	37.5	Very low	39.6	Very low	101 Å²	101	119.5 Å²	119.5	71%	0.706	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-1.6	-178.6	70.2	0	0	0	0	114.6	A22 L23	A22-S25 PolarHBondContact O-N 3.33Å; A22-S25 PolarHBondContact O-OG 3Å; L23-S25 PolarHBondContact O-N 3.26Å
26	S	31.5	Very low	38.1	Very low	73 Å²	73	123.5 Å²	123.5	51%	0.51	69%	0.692	S	S	.	*			trans	-120.2	82	-177.6	56.7	0	0	0	0	111.4	L23	L23-S26 PolarHBondContact O-N 2.77Å; L23-S26 PolarHBondContact O-OG 2.85Å
27	H	28.8	Very low	36.3	Very low	177 Å²	177	124.3 Å²	124.3	82%	0.819	71%	0.706	S	S	*	*			trans	-118.5	110.3	164	-88.7	-62.8	0	0	0	109.7
28	P	30.4	Very low	34.6	Very low	122 Å²	122	121.4 Å²	121.4	79%	0.792	71%	0.711	S	S	*	*			trans	-93.6	140.7	166.9	11.1	7.7	0	0	0	111.3
29	S	25.6	Very low	32.7	Very low	119 Å²	119	123.3 Å²	123.3	83%	0.832	72%	0.718	S	S	*	*			trans	-81.1	150.3	-179.8	-46.6	0	0	0	0	112.6
30	P	28.4	Very low	31.1	Very low	121 Å²	121	127.7 Å²	127.7	79%	0.786	73%	0.734	S	S	*	*			trans	-109.7	137.8	-175.1	38.1	-27.2	0	0	0	113.9
31	E	23.9	Very low	29.6	Very low	185 Å²	185	122.6 Å²	122.6	86%	0.864	74%	0.737	S	S	*	*			trans	-154.5	150.4	163.7	-69.8	-172.5	166.1	0	0	106.9
32	T	24.4	Very low	28.2	Very low	132 Å²	132	121.3 Å²	121.3	81%	0.81	74%	0.744	S	S	*	*			cis	-168	142.4	-23.9	24.9	0	0	0	0	103.6
33	S	23.4	Very low	27.2	Very low	115 Å²	115	124.4 Å²	124.4	80%	0.804	76%	0.76	S	S	*	*			trans	-96.9	132.1	178.8	54.3	0	0	0	0	112.3
34	D	24.3	Very low	26	Very low	170 Å²	170	123.7 Å²	123.7	91%	0.909	77%	0.765	S	S	*	*			trans	-127.3	146.1	158.7	-75.8	-38.2	0	0	0	106.1
35	G	22.4	Very low	25.1	Very low	62 Å²	62	124.7 Å²	124.7	64%	0.639	77%	0.767	S	S	*	*			cis	146.4	164.1	16.6	0	0	0	0	0	108
36	V	24.7	Very low	24.5	Very low	132 Å²	132	127 Å²	127	80%	0.8	77%	0.772	S	S	*	*			trans	81.5	106.2	159.6	-168.2	0	0	0	0	115.6
37	T	21	Very low	24.3	Very low	122 Å²	122	128.6 Å²	128.6	75%	0.748	78%	0.78	S	S	*	*				90.7	147.4	51	65.8	0	0	0	0	116.5
38	S	23.9	Very low	24	Very low	104 Å²	104	126.8 Å²	126.8	73%	0.727	78%	0.776	S	S	*	*			trans	91	145.1	158.8	95.6	0	0	0	0	115.6
39	N	23.2	Very low	23.6	Very low	125 Å²	125	127.3 Å²	127.3	67%	0.668	78%	0.777	S	S	*	*			cis	-179.4	154	-9.1	-123.5	-8.3	0	0	0	107.9
40	F	22.2	Very low	23.4	Very low	194 Å²	194	124.6 Å²	124.6	85%	0.851	77%	0.768	S	S	*	*			trans	49.4	140.7	152.7	-67.7	-77.5	0	0	0	120.1
41	G	22.2	Very low	23.1	Very low	71 Å²	71	125 Å²	125	73%	0.732	77%	0.769	S	S	*	*			cis	171.1	134.6	10	0	0	0	0	0	107.1
42	L	21.6	Very low	23	Very low	172 Å²	172	124.1 Å²	124.1	90%	0.901	77%	0.77	S	S	*	*			trans	-106.8	142.3	-177.2	-77	158	0	0	0	110
43	C	21.6	Very low	22.8	Very low	122 Å²	122	121.1 Å²	121.1	82%	0.824	77%	0.766	S	S	*	*			trans	-137.8	110.6	162.5	-145.9	0	0	0	0	104.1
44	S	22.6	Very low	23.2	Very low	102 Å²	102	121.8 Å²	121.8	71%	0.713	77%	0.767	S	S	*	*				56.7	128.6	66.1	-136.8	0	0	0	0	110.9
45	S	22.5	Very low	23.5	Very low	97 Å²	97	119.2 Å²	119.2	68%	0.678	76%	0.76	S	S	*	*			cis	-166.5	155.1	17.8	-24.4	0	0	0	0	108.2
46	D	25.8	Very low	23.6	Very low	151 Å²	151	124.1 Å²	124.1	81%	0.807	77%	0.771	S	S	*	*			trans	6.9	160.4	133.9	-63	-32.3	0	0	0	118.3
47	P	26.9	Very low	23.4	Very low	105 Å²	105	128.7 Å²	128.7	68%	0.682	77%	0.774	S	S	*	*			cis	-162.8	-169.4	45.3	35	-6	0	0	0	118.5
48	L	23.4	Very low	23.5	Very low	140 Å²	140	134.9 Å²	134.9	73%	0.733	78%	0.784	S	S	*	*			trans	91.9	105.9	148	-58.5	-179.4	0	0	0	118.6
49	T	20.8	Very low	23.3	Very low	132 Å²	132	137.7 Å²	137.7	81%	0.81	79%	0.79	S	S	*	*				84.5	134.6	67	61.5	0	0	0	0	114.6
50	G	22.8	Very low	23.3	Very low	63 Å²	63	137.6 Å²	137.6	65%	0.649	80%	0.798	S	S	*	*			trans	142.5	87.7	160.2	0	0	0	0	0	112.5
51	T	21.2	Very low	23.2	Very low	130 Å²	130	132.4 Å²	132.4	80%	0.798	79%	0.79	S	S	*	*				79.3	111.3	82	58.4	0	0	0	0	115.3
52	D	21.4	Very low	23.1	Very low	165 Å²	165	136.1 Å²	136.1	88%	0.882	79%	0.794	S	S	*	*			trans	63	122.4	130.9	-70.8	-24	0	0	0	124.2
53	G	22	Very low	23.1	Very low	70 Å²	70	135.3 Å²	135.3	72%	0.722	79%	0.788	S	S	*	*			trans	103.7	166.6	132.2	0	0	0	0	0	116.2
54	P	30.1	Very low	23.2	Very low	128 Å²	128	137.7 Å²	137.7	83%	0.831	79%	0.793	S	S	*	*			cis	-133.3	-166.3	-22.3	45.6	-28.5	0	0	0	110.4
55	P	31.3	Very low	23.4	Very low	116 Å²	116	138 Å²	138	75%	0.753	79%	0.79	S	S	*	*			trans	-99.4	163.2	-157.7	39	-33.7	0	0	0	114.1
56	N	25.1	Very low	23.5	Very low	165 Å²	165	141 Å²	141	88%	0.882	80%	0.799	S	S	*	*			trans	-139.5	110.4	160.2	-119.9	-25	0	0	0	112.3
57	R	19.8	Very low	23.8	Very low	228 Å²	228	139.6 Å²	139.6	86%	0.86	80%	0.796	S	S	*	*			trans	-63.8	142.3	160.6	-83.9	174.9	165.4	171.1	-4.7	109.4
58	R	23.4	Very low	23.8	Very low	252 Å²	252	141.7 Å²	141.7	95%	0.951	80%	0.801	S	S	*	*			trans	-168.2	139.1	131.1	-104.3	164.8	-166.6	-152	3	111.3
59	L	20.4	Very low	24.1	Very low	163 Å²	163	140.4 Å²	140.4	85%	0.853	80%	0.804	S	S	*	*			trans	-77.4	150.1	176.2	-79	96.9	0	0	0	111.6
60	C	21.7	Very low	24.3	Very low	124 Å²	124	139.1 Å²	139.1	84%	0.838	80%	0.801	S	S	*	*			trans	176.1	106.3	136.6	-88.2	0	0	0	0	104.9
61	A	19.9	Very low	24.6	Very low	84 Å²	84	138.7 Å²	138.7	69%	0.694	79%	0.79	S	S	*	*				65	112.1	74.3	0	0	0	0	0	113.8
62	D	20.5	Very low	24.8	Very low	150 Å²	150	138.8 Å²	138.8	80%	0.802	80%	0.795	S	S	*	*			trans	74.2	104.7	153	-50.2	-28.9	0	0	0	120.4
63	I	22.9	Very low	24.9	Very low	154 Å²	154	138.9 Å²	138.9	79%	0.79	79%	0.788	S	S	*	*				168	118.4	112.1	-80.2	156.7	0	0	0	108.5	V65	I63-V65 HydrophobicContact CG2-CG2 4.03Å; I63-V65 PolarHBondContact O-N 3.18Å
64	D	22.6	Very low	25.1	Very low	172 Å²	172	141 Å²	141	92%	0.92	79%	0.787	S	S	*	*			trans	-71.9	113.7	169.1	-77	-47	0	0	0	110.4
65	V	26.1	Very low	24.8	Very low	108 Å²	108	143.5 Å²	143.5	66%	0.655	78%	0.78	S	S	*	*			trans	-140.4	115.6	156.9	179.3	0	0	0	0	108	I63 T67	I63-V65 HydrophobicContact CG2-CG2 4.03Å; I63-V65 PolarHBondContact O-N 3.18Å; V65-T67 HydrophobicContact CG1-CG2 4.23Å; V65-T67 PolarHBondContact O-N 3.05Å
66	D	26	Very low	24.7	Very low	162 Å²	162	143 Å²	143	87%	0.866	78%	0.779	S	S	*	*			trans	-67.7	91.1	178.6	-123.9	-21.5	0	0	0	110.5
67	T	32.2	Very low	24.8	Very low	121 Å²	121	142.4 Å²	142.4	74%	0.742	77%	0.771	S	S	*	*			trans	-100.2	21.8	173.2	45.8	0	0	0	0	113.4	V65	V65-T67 HydrophobicContact CG1-CG2 4.23Å; V65-T67 PolarHBondContact O-N 3.05Å
68	N	27.4	Very low	25.3	Very low	149 Å²	149	138 Å²	138	80%	0.797	76%	0.764	S	S	*	*			trans	-104.7	31.2	-176.5	-114.5	18.4	0	0	0	115
69	S	28.8	Very low	25.8	Very low	113 Å²	113	130.4 Å²	130.4	79%	0.79	75%	0.746	S	S	*	*			trans	-111.5	61.2	164.2	-161.8	0	0	0	0	110.5	A71	S69-A71 VanDerWaalsContact C-N 3.25Å
70	S	25.8	Very low	26.1	Very low	105 Å²	105	126.4 Å²	126.4	73%	0.734	74%	0.736	S	S	*	*			trans	-95.6	50.4	165.9	52.9	0	0	0	0	109.9
71	A	27.3	Very low	26.3	Very low	53 Å²	53	127.5 Å²	127.5	44%	0.438	73%	0.733	S	S	.	*			trans	-98.7	102.6	161.9	0	0	0	0	0	106.5	S69 F73	S69-A71 VanDerWaalsContact C-N 3.25Å; A71-F73 HydrophobicContact CB-CD2 3.7Å; A71-F73 HydrophobicContact CB-CE2 3.48Å; A71-F73 VanDerWaalsContact CB-CE2 3.48Å; A71-F73 HydrophobicContact CB-CZ 4.35Å; A71-F73 PolarHBondContact O-N 3.39Å
72	C	25.5	Very low	26.9	Very low	132 Å²	132	128.6 Å²	128.6	89%	0.892	73%	0.727	S	S	*	*			trans	-64.5	80.6	166.8	-57	0	0	0	0	107.9	V74	C72-V74 PolarHBondContact O-N 3.04Å
73	F	24.8	Very low	27.1	Very low	167 Å²	167	127 Å²	127	73%	0.732	72%	0.718	S	S	*	*			trans	-71.1	108.5	164.8	-77.2	-80.8	0	0	0	106.7	A71 R75	A71-F73 HydrophobicContact CB-CD2 3.7Å; A71-F73 HydrophobicContact CB-CE2 3.48Å; A71-F73 VanDerWaalsContact CB-CE2 3.48Å; A71-F73 HydrophobicContact CB-CZ 4.35Å; A71-F73 PolarHBondContact O-N 3.39Å; F73-R75 PolarHBondContact O-N 2.83Å; F73-R75 VanDerWaalsContact O-N 3.15Å
74	V	24.9	Very low	27.8	Very low	115 Å²	115	124.5 Å²	124.5	70%	0.697	71%	0.706	S	S	*	*			trans	-55.4	118.5	154.2	177.3	0	0	0	0	105.2	C72 S76	C72-V74 PolarHBondContact O-N 3.04Å; V74-S76 PolarHBondContact O-N 3.48Å
75	R	23.9	Very low	28	Very low	181 Å²	181	120.5 Å²	120.5	68%	0.683	70%	0.697	S	S	*	*			trans	-66.4	135.1	-175.9	-74	-172.1	170.5	177	-1.5	108	F73 E77 D78	F73-R75 PolarHBondContact O-N 2.83Å; F73-R75 VanDerWaalsContact O-N 3.15Å; R75-E77 PolarHBondContact O-N 2.97Å; R75-D78 PolarHBondContact O-N 3.1Å
76	S	30	Very low	28	Very low	106 Å²	106	120.5 Å²	120.5	74%	0.741	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	-11.1	177.9	-164.8	0	0	0	0	114	V74	V74-S76 PolarHBondContact O-N 3.48Å
77	E	27.5	Very low	28.1	Very low	152 Å²	152	122.7 Å²	122.7	71%	0.71	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-25.7	178.1	-68	175.6	161	0	0	113	R75 V79	R75-E77 PolarHBondContact O-N 2.97Å; E77-V79 VanDerWaalsContact C-N 3.3Å; E77-V79 PolarHBondContact O-N 3.42Å
78	D	30.6	Very low	27.9	Very low	135 Å²	135	121.7 Å²	121.7	72%	0.722	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-13.3	-179.6	-67.7	-37.6	0	0	0	113.1	R75	R75-D78 PolarHBondContact O-N 3.1Å
79	V	33.2	Very low	27.9	Very low	93 Å²	93	120 Å²	120	56%	0.564	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	-14.9	178.2	-169.7	0	0	0	0	111.9	E77 N81	E77-V79 VanDerWaalsContact C-N 3.3Å; E77-V79 PolarHBondContact O-N 3.42Å; V79-N81 VanDerWaalsContact C-N 3.28Å; V79-N81 PolarHBondContact O-N 2.73Å
80	A	27.4	Very low	27.8	Very low	78 Å²	78	124.4 Å²	124.4	65%	0.645	70%	0.7	S	S	*	*	S	Bend	trans	-81.3	3.7	-173.6	0	0	0	0	0	115
81	N	24.3	Very low	28.1	Very low	147 Å²	147	122.7 Å²	122.7	79%	0.786	70%	0.699	S	S	*	*			trans	-115.2	56.2	-177.1	-121.2	11.4	0	0	0	112	V79	V79-N81 VanDerWaalsContact C-N 3.28Å; V79-N81 PolarHBondContact O-N 2.73Å
82	I	33.3	Very low	28	Very low	108 Å²	108	128.4 Å²	128.4	55%	0.554	72%	0.717	S	S	*	*			trans	-104.5	75.9	165.3	-54.7	177.1	0	0	0	107.1
83	D	25.6	Very low	28.3	Very low	116 Å²	116	128.8 Å²	128.8	62%	0.62	72%	0.715	S	S	*	*			trans	-86.4	108.4	177.3	-161.5	-9.3	0	0	0	109.3	A85 C86	D83-A85 PolarHBondContact O-N 3.43Å; D83-A85 WeakPolarHBondContact OD1-CB 3.43Å; D83-A85 PolarHBondContact OD1-N 3.25Å; D83-C86 PolarHBondContact O-N 3.2Å
84	L	35.9	Very low	28.7	Very low	101 Å²	101	128.6 Å²	128.6	53%	0.529	72%	0.716	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74	-2.7	179.1	-142.3	79.6	0	0	0	112.5	C86	L84-C86 PolarHBondContact O-N 2.89Å
85	A	28.3	Very low	28.9	Very low	89 Å²	89	132.9 Å²	132.9	74%	0.736	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-9.6	171.3	0	0	0	0	0	113.3	D83	D83-A85 PolarHBondContact O-N 3.43Å; D83-A85 WeakPolarHBondContact OD1-CB 3.43Å; D83-A85 PolarHBondContact OD1-N 3.25Å
86	C	26.4	Very low	29.6	Very low	108 Å²	108	127.7 Å²	127.7	73%	0.73	73%	0.731	S	S	*	*			trans	-107.1	66.9	174	-151.9	0	0	0	0	111.2	D83 L84	D83-C86 PolarHBondContact O-N 3.2Å; L84-C86 PolarHBondContact O-N 2.89Å
87	W	27.9	Very low	30.2	Very low	207 Å²	207	127.1 Å²	127.1	78%	0.784	73%	0.727	S	S	*	*			trans	-62.8	128	151	-82.4	25.8	0	0	0	107.1	S89	W87-S89 VanDerWaalsContact C-N 3.34Å; W87-S89 PolarHBondContact O-N 2.81Å
88	P	27.4	Very low	31.3	Very low	101 Å²	101	122 Å²	122	66%	0.656	71%	0.707	S	S	*	*			trans	-64.1	102.4	171	25	-29.4	0	0	0	107.3	E90	P88-E90 PolarHBondContact O-N 2.57Å
89	S	26.9	Very low	32.4	Very low	112 Å²	112	119.7 Å²	119.7	78%	0.783	70%	0.699	S	S	*	*			trans	-49.9	123	151.6	-82.5	0	0	0	0	105.4	W87 G91	W87-S89 VanDerWaalsContact C-N 3.34Å; W87-S89 PolarHBondContact O-N 2.81Å; S89-G91 PolarHBondContact O-N 3.24Å
90	E	27.9	Very low	34.4	Very low	206 Å²	206	119.3 Å²	119.3	96%	0.963	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-35.6	102.2	-176.3	-62.5	-165.8	156.7	0	0	111	P88	P88-E90 PolarHBondContact O-N 2.57Å
91	G	30.5	Very low	37.3	Very low	70 Å²	70	116.8 Å²	116.8	72%	0.722	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	164.8	-33	-176.2	0	0	0	0	0	120.1	S89	S89-G91 PolarHBondContact O-N 3.24Å
92	E	26.7	Very low	40.5	Very low	172 Å²	172	112.1 Å²	112.1	80%	0.804	66%	0.655	S	S	*	*			trans	-126.8	97.4	-174.2	-72.4	-172.8	165.4	0	0	112.9	H94	E92-H94 PolarHBondContact O-N 3.1Å
93	V	30.2	Very low	43.3	Very low	140 Å²	140	107.8 Å²	107.8	85%	0.848	64%	0.637	S	S	*	*			trans	-79.6	107.6	167.8	179.5	0	0	0	0	107.6	E95	V93-E95 PolarHBondContact O-N 3.41Å
94	H	33.4	Very low	46.5	Very low	164 Å²	164	105.9 Å²	105.9	76%	0.759	63%	0.627	S	S	*	*			trans	-77.6	114.7	160.1	-103.9	16.7	0	0	0	108.6	E92 G96	E92-H94 PolarHBondContact O-N 3.1Å; H94-G96 VanDerWaalsContact C-N 3.34Å; H94-G96 PolarHBondContact O-N 3.45Å
95	E	29.2	Very low	49.3	Very low	204 Å²	204	101.2 Å²	101.2	95%	0.953	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	84.9	-177.7	-164	166.5	-161.4	0	0	109.8	V93	V93-E95 PolarHBondContact O-N 3.41Å
96	G	39.1	Very low	52.3	Low	73 Å²	73	99.4 Å²	99.4	75%	0.753	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	160.2	-12.6	176.9	0	0	0	0	0	117.4	H94	H94-G96 VanDerWaalsContact C-N 3.34Å; H94-G96 PolarHBondContact O-N 3.45Å
97	S	43.3	Very low	55.5	Low	94 Å²	94	94.7 Å²	94.7	66%	0.657	55%	0.546	S	S	*	.	S	Bend	trans	-85.8	128.3	171.7	56.7	0	0	0	0	110.5
98	P	48.8	Very low	58.2	Low	44 Å²	44	86.4 Å²	86.4	29%	0.286	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-61.8	146.2	175.8	24	-32.5	0	0	0	110.4	V100 Y190	P98-V100 PolarHBondContact O-N 2.71Å; P98-Y190 HydrophobicContact CB-CD1 4.28Å; P98-Y190 HydrophobicContact CB-CE1 3.69Å; P98-Y190 HydrophobicContact CB-CE2 4.05Å; P98-Y190 HydrophobicContact CG-CD1 4.08Å; P98-Y190 HydrophobicContact CG-CE1 3.33Å; P98-Y190 PolarHBondContact O-OH 2.75Å; P98-Y190 VanDerWaalsContact O-OH 3.13Å
99	P	54.3	Low	60.5	Low	86 Å²	86	81.8 Å²	81.8	56%	0.558	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-61.5	135.1	-172	22.7	-32	0	0	0	111.3	V101 Y190	P99-V101 PolarHBondContact O-N 2.93Å; P99-Y190 VanDerWaalsContact O-CE2 3.31Å; P99-Y190 WeakPolarHBondContact O-CE2 3.37Å; P99-Y190 PolarHBondContact O-OH 2.96Å
100	V	75.7	Confident	62.7	Low	85 Å²	85	76.6 Å²	76.6	52%	0.515	45%	0.447	S	S	.	.			trans	-76.7	113.5	168.1	-178.8	0	0	0	0	107.1	P98 I121 Q123	P98-V100 PolarHBondContact O-N 2.71Å; V100-I121 HydrophobicContact CG1-CG2 4.35Å; V100-Q123 HydrophobicContact CG1-CB 4.34Å; V100-Q123 HydrophobicContact CG2-CG 4.04Å
101	V	88.9	Confident	64.3	Low	26 Å²	26	69.5 Å²	69.5	16%	0.158	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	122.3	176.4	-178.2	0	0	0	0	108.1	P99 L122 W183 A186	P99-V101 PolarHBondContact O-N 2.93Å; V101-L122 HydrophobicContact CB-CB 4.35Å; V101-L122 PolarHBondContact N-O 3.22Å; V101-L122 PolarHBondContact O-N 2.61Å; V101-W183 HydrophobicContact CB-CZ3 4.45Å; V101-W183 HydrophobicContact CG1-CD2 4.03Å; V101-W183 HydrophobicContact CG1-CE3 4.08Å; V101-W183 HydrophobicContact CG1-CH2 3.9Å; V101-W183 HydrophobicContact CG1-CZ2 3.84Å; V101-W183 HydrophobicContact CG1-CZ3 4.01Å; V101-A186 HydrophobicContact CB-CB 4.37Å; V101-A186 HydrophobicContact CG2-CB 3.62Å
102	A	91.2	Very high	65.4	Low	48 Å²	48	69.1 Å²	69.1	40%	0.397	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	145.9	177.3	0	0	0	0	0	110.8	Y119 F120 I121	A102-Y119 HydrophobicContact CB-CE1 4.38Å; A102-Y119 WeakPolarHBondContact CB-OH 3.31Å; A102-F120 CarbonylContact C-O 3.58Å; A102-F120 WeakPolarHBondContact CA-O 3.2Å; A102-I121 HydrophobicContact CB-CG1 4.24Å
103	G	91.9	Very high	67.1	Low	17 Å²	17	62 Å²	62	18%	0.175	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.7	174.4	-179.8	0	0	0	0	0	113.8	F120	G103-F120 PolarHBondContact N-O 3.19Å; G103-F120 PolarHBondContact O-N 2.99Å
104	I	92.9	Very high	69.4	Low	77 Å²	77	56 Å²	56	40%	0.395	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	125.3	177.1	-59.2	-70	0	0	0	109.5	P117 R118 Y119	I104-P117 HydrophobicContact CG2-CB 3.91Å; I104-R118 WeakPolarHBondContact CA-O 3.39Å; I104-Y119 HydrophobicContact CD1-CD2 3.78Å; I104-Y119 HydrophobicContact CD1-CG 4.4Å; I104-Y119 HydrophobicContact CG1-CD2 4.37Å
105	L	94.7	Very high	72.1	Confident	2 Å²	2	50.5 Å²	50.5	1%	0.01	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	148.8	165.7	-58	174.4	0	0	0	109.2	K107 R118 F120 L172 T174 W183	L105-K107 PolarHBondContact O-N 2.82Å; L105-R118 PolarHBondContact N-O 3.36Å; L105-R118 PolarHBondContact O-N 3.13Å; L105-R118 VanDerWaalsContact O-O 3.1Å; L105-F120 HydrophobicContact CB-CD2 3.52Å; L105-F120 HydrophobicContact CB-CE2 3.65Å; L105-F120 HydrophobicContact CB-CG 4.35Å; L105-F120 HydrophobicContact CD1-CB 4.08Å; L105-F120 HydrophobicContact CD1-CD1 4.28Å; L105-F120 HydrophobicContact CD1-CD2 3.84Å; L105-F120 HydrophobicContact CD1-CE2 4.29Å; L105-F120 HydrophobicContact CD1-CG 3.82Å; L105-F120 HydrophobicContact CG-CB 4.42Å; L105-F120 HydrophobicContact CG-CD2 3.88Å; L105-F120 HydrophobicContact CG-CE2 4.41Å; L105-F120 HydrophobicContact CG-CG 4.27Å; L105-L172 HydrophobicContact CD1-CB 4.44Å; L105-L172 HydrophobicContact CD1-CD1 3.99Å; L105-T174 HydrophobicContact CD2-CG2 3.46Å; L105-T174 VanDerWaalsContact CD2-CG2 3.46Å; L105-W183 HydrophobicContact CD1-CD2 3.96Å; L105-W183 HydrophobicContact CD1-CE3 4.21Å; L105-W183 HydrophobicContact CD1-CG 4.47Å; L105-W183 HydrophobicContact CD1-CH2 4.31Å; L105-W183 HydrophobicContact CD1-CZ2 4.06Å; L105-W183 HydrophobicContact CD1-CZ3 4.38Å; L105-W183 HydrophobicContact CD2-CD2 4.4Å; L105-W183 HydrophobicContact CD2-CG 4.33Å; L105-W183 HydrophobicContact CD2-CZ2 4.49Å; L105-W183 HydrophobicContact CG-CZ2 4.16Å
106	H	91.9	Very high	74.8	Confident	52 Å²	52	43.2 Å²	43.2	24%	0.241	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	111.5	170.5	-67.5	83.1	0	0	0	108.3	W115 Q116 L172 R173	H106-W115 HydrophobicContact CB-CB 4.27Å; H106-W115 HydrophobicContact CB-CE3 4.18Å; H106-W115 WeakPolarHBondContact O-CZ3 3.42Å; H106-Q116 CarbonylContact C-O 3.54Å; H106-Q116 WeakPolarHBondContact CA-O 3.47Å; H106-L172 CarbonylContact O-C 3.53Å; H106-L172 WeakPolarHBondContact O-CA 3.48Å; H106-R173 HydrophobicContact CB-CB 3.98Å; H106-R173 PolarHBondContact N-O 2.79Å; H106-R173 PolarHBondContact O-N 2.94Å
107	K	92.7	Very high	77.2	Confident	9 Å²	9	42.6 Å²	42.6	4%	0.039	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	131.6	173.6	-178.5	177.8	-179.8	-79.3	0	109.2	L105 T109 Q116 R118 F120 Y129 Y171 L172 D398	L105-K107 PolarHBondContact O-N 2.82Å; K107-T109 PolarHBondContact O-N 3.35Å; K107-Q116 PolarHBondContact N-O 2.89Å; K107-Q116 PolarHBondContact O-N 3.43Å; K107-R118 HydrophobicContact CB-CG 4.06Å; K107-F120 HydrophobicContact CB-CE2 4.31Å; K107-F120 HydrophobicContact CB-CZ 4.12Å; K107-F120 HydrophobicContact CD-CZ 4.27Å; K107-Y129 HydrophobicContact CD-CD1 4.43Å; K107-Y129 HydrophobicContact CD-CD2 4.45Å; K107-Y129 HydrophobicContact CD-CE1 4.12Å; K107-Y129 HydrophobicContact CD-CE2 4.12Å; K107-Y171 WeakPolarHBondContact CA-O 3.24Å; K107-L172 HydrophobicContact CB-CD2 4.08Å; K107-L172 HydrophobicContact CG-CD2 4.16Å; K107-D398 IonicContact NZ-OD2 3.32Å; K107-D398 PolarHBondContact NZ-OD2 2.96Å
108	W	85.3	Confident	79.6	Confident	33 Å²	33	39.1 Å²	39.1	13%	0.125	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	124.9	166.1	-178.2	-105.8	0	0	0	109.6	N110 Y111 W115 Y171 P381	W108-N110 VanDerWaalsContact CZ2-C 3.48Å; W108-N110 WeakPolarHBondContact CZ2-O 3.37Å; W108-Y111 HydrophobicContact CH2-CD1 4.17Å; W108-Y111 HydrophobicContact CH2-CE1 4.46Å; W108-Y111 AromaticContact CZ2-CD1 3.72Å; W108-Y111 HydrophobicContact CZ2-CD1 3.72Å; W108-Y111 AromaticContact CZ2-CE1 3.85Å; W108-Y111 HydrophobicContact CZ2-CE1 3.85Å; W108-Y111 HydrophobicContact CZ2-CG 4.16Å; W108-W115 HydrophobicContact CB-CD2 4.29Å; W108-W115 HydrophobicContact CB-CE3 4.05Å; W108-W115 HydrophobicContact CB-CH2 4.14Å; W108-W115 HydrophobicContact CB-CZ2 4.34Å; W108-W115 HydrophobicContact CB-CZ3 3.98Å; W108-W115 AromaticContact CE3-CD1 3.54Å; W108-W115 AromaticContact CE3-CD2 3.91Å; W108-W115 HydrophobicContact CE3-CD2 3.91Å; W108-W115 AromaticContact CE3-CE2 3.63Å; W108-W115 AromaticContact CE3-CG 3.87Å; W108-W115 HydrophobicContact CE3-CG 3.87Å; W108-W115 HydrophobicContact CE3-CZ2 4.29Å; W108-W115 AromaticContact CE3-NE1 3.35Å; W108-W115 VanDerWaalsContact CE3-NE1 3.35Å; W108-W115 AromaticContact CZ3-CD1 3.66Å; W108-W115 HydrophobicContact CZ3-CG 4.38Å; W108-W115 AromaticContact CZ3-NE1 3.55Å; W108-Y171 HydrophobicContact CB-CD2 4.29Å; W108-Y171 HydrophobicContact CB-CG 4.43Å; W108-Y171 HydrophobicContact CG-CD2 4.5Å; W108-Y171 PolarHBondContact N-O 2.85Å; W108-P381 HydrophobicContact CD2-CB 3.58Å; W108-P381 HydrophobicContact CD2-CG 4.36Å; W108-P381 HydrophobicContact CE3-CB 3.78Å; W108-P381 HydrophobicContact CG-CB 4Å; W108-P381 HydrophobicContact CG-CG 4.28Å; W108-P381 HydrophobicContact CH2-CB 4.14Å; W108-P381 HydrophobicContact CZ2-CB 3.98Å; W108-P381 HydrophobicContact CZ3-CB 4.03Å
109	T	75.1	Confident	81.6	Confident	3 Å²	3	38.4 Å²	38.4	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-37.2	178.6	54.4	0	0	0	0	112.7	K107 H113 G114 Q116	K107-T109 PolarHBondContact O-N 3.35Å; T109-H113 WeakPolarHBondContact OG1-CB 3.45Å; T109-G114 PolarHBondContact N-O 3Å; T109-G114 PolarHBondContact OG1-O 3.28Å; T109-Q116 HydrophobicContact CG2-CB 3.98Å; T109-Q116 HydrophobicContact CG2-CG 3.89Å
110	N	72.3	Confident	83.5	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.7	176.1	-179.8	53.8	81	0	0	0	109.8	W108 I112 H113 G114 A399	W108-N110 VanDerWaalsContact CZ2-C 3.48Å; W108-N110 WeakPolarHBondContact CZ2-O 3.37Å; N110-I112 PolarHBondContact O-N 2.9Å; N110-I112 WeakPolarHBondContact OD1-CA 3.4Å; N110-I112 WeakPolarHBondContact OD1-CB 3.3Å; N110-I112 PolarHBondContact OD1-N 2.95Å; N110-H113 VanDerWaalsContact CG-ND1 3.25Å; N110-H113 PolarHBondContact ND2-ND1 3.41Å; N110-H113 PolarHBondContact OD1-N 3.5Å; N110-H113 PolarHBondContact OD1-ND1 2.86Å; N110-G114 WeakPolarHBondContact O-CA 3.01Å; N110-G114 PolarHBondContact O-N 3.38Å; N110-A399 HydrophobicContact CB-CB 3.98Å; N110-A399 WeakPolarHBondContact ND2-CA 3.27Å; N110-A399 WeakPolarHBondContact ND2-CB 3.17Å
111	Y	62.3	Low	84.3	Confident	58 Å²	58	31.5 Å²	31.5	23%	0.227	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-29	178.7	-69.3	-72.1	0	0	0	116.2	W108 G380 Y383 E385	W108-Y111 HydrophobicContact CH2-CD1 4.17Å; W108-Y111 HydrophobicContact CH2-CE1 4.46Å; W108-Y111 AromaticContact CZ2-CD1 3.72Å; W108-Y111 HydrophobicContact CZ2-CD1 3.72Å; W108-Y111 AromaticContact CZ2-CE1 3.85Å; W108-Y111 HydrophobicContact CZ2-CE1 3.85Å; W108-Y111 HydrophobicContact CZ2-CG 4.16Å; Y111-G380 PolarHBondContact OH-O 3.15Å; Y111-Y383 WeakPolarHBondContact CE1-O 3.48Å; Y111-Y383 WeakPolarHBondContact OH-CA 3.41Å; Y111-Y383 WeakPolarHBondContact OH-CB 3.48Å; Y111-Y383 PolarHBondContact OH-N 3.42Å; Y111-Y383 VanDerWaalsContact OH-N 3.14Å; Y111-Y383 PolarHBondContact OH-O 3.43Å; Y111-E385 WeakPolarHBondContact CB-OE2 3.34Å; Y111-E385 HydrophobicContact CD1-CB 4.48Å; Y111-E385 HydrophobicContact CD2-CB 3.61Å; Y111-E385 HydrophobicContact CD2-CG 3.71Å; Y111-E385 HydrophobicContact CE2-CB 4.17Å; Y111-E385 HydrophobicContact CE2-CG 4.39Å; Y111-E385 HydrophobicContact CG-CB 3.79Å; Y111-E385 HydrophobicContact CG-CG 4.25Å
112	I	54	Low	84.3	Confident	62 Å²	62	30.2 Å²	30.2	32%	0.318	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-38.1	-177.3	-59.5	175.5	0	0	0	110.9	N110 P566	N110-I112 PolarHBondContact O-N 2.9Å; N110-I112 WeakPolarHBondContact OD1-CA 3.4Å; N110-I112 WeakPolarHBondContact OD1-CB 3.3Å; N110-I112 PolarHBondContact OD1-N 2.95Å; I112-P566 HydrophobicContact CD1-CB 3.89Å; I112-P566 HydrophobicContact CD1-CG 4.31Å
113	H	61.9	Low	84	Confident	23 Å²	23	32 Å²	32	11%	0.106	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-22.8	-174.2	-57.5	88.5	0	0	0	112.4	T109 N110 Q116 A399 A402 A403	T109-H113 WeakPolarHBondContact OG1-CB 3.45Å; N110-H113 VanDerWaalsContact CG-ND1 3.25Å; N110-H113 PolarHBondContact ND2-ND1 3.41Å; N110-H113 PolarHBondContact OD1-N 3.5Å; N110-H113 PolarHBondContact OD1-ND1 2.86Å; H113-Q116 HydrophobicContact CB-CG 4.36Å; H113-Q116 PolarHBondContact O-NE2 2.83Å; H113-A399 PolarHBondContact CE1-O 3Å; H113-A399 PolarHBondContact ND1-O 3.19Å; H113-A402 HydrophobicContact CB-CB 3.99Å; H113-A403 PolarHBondContact CD2-N 3.43Å; H113-A403 VanDerWaalsContact CE1-CB 3.45Å; H113-A403 WeakPolarHBondContact CE1-CB 3.19Å; H113-A403 WeakPolarHBondContact NE2-CA 3.37Å; H113-A403 WeakPolarHBondContact NE2-CB 3.07Å; H113-A403 PolarHBondContact NE2-N 2.97Å
114	G	78.9	Confident	83.5	Confident	12 Å²	12	34.4 Å²	34.4	12%	0.124	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.6	-132.3	-177.8	0	0	0	0	0	112.9	T109 N110	T109-G114 PolarHBondContact N-O 3Å; T109-G114 PolarHBondContact OG1-O 3.28Å; N110-G114 WeakPolarHBondContact O-CA 3.01Å; N110-G114 PolarHBondContact O-N 3.38Å
115	W	89.1	Confident	83.1	Confident	50 Å²	50	31 Å²	31	19%	0.189	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	123.1	179.7	-65.2	93.4	0	0	0	110.5	H106 W108 R160 Y171 R173 P381	H106-W115 HydrophobicContact CB-CB 4.27Å; H106-W115 HydrophobicContact CB-CE3 4.18Å; H106-W115 WeakPolarHBondContact O-CZ3 3.42Å; W108-W115 HydrophobicContact CB-CD2 4.29Å; W108-W115 HydrophobicContact CB-CE3 4.05Å; W108-W115 HydrophobicContact CB-CH2 4.14Å; W108-W115 HydrophobicContact CB-CZ2 4.34Å; W108-W115 HydrophobicContact CB-CZ3 3.98Å; W108-W115 AromaticContact CE3-CD1 3.54Å; W108-W115 AromaticContact CE3-CD2 3.91Å; W108-W115 HydrophobicContact CE3-CD2 3.91Å; W108-W115 AromaticContact CE3-CE2 3.63Å; W108-W115 AromaticContact CE3-CG 3.87Å; W108-W115 HydrophobicContact CE3-CG 3.87Å; W108-W115 HydrophobicContact CE3-CZ2 4.29Å; W108-W115 AromaticContact CE3-NE1 3.35Å; W108-W115 VanDerWaalsContact CE3-NE1 3.35Å; W108-W115 AromaticContact CZ3-CD1 3.66Å; W108-W115 HydrophobicContact CZ3-CG 4.38Å; W108-W115 AromaticContact CZ3-NE1 3.55Å; W115-R160 HydrophobicContact CH2-CG 4.35Å; W115-Y171 VanDerWaalsContact CZ3-O 3.22Å; W115-Y171 WeakPolarHBondContact CZ3-O 3.47Å; W115-R173 HydrophobicContact CD2-CG 4.37Å; W115-R173 HydrophobicContact CE3-CB 3.96Å; W115-R173 HydrophobicContact CE3-CG 4Å; W115-R173 HydrophobicContact CH2-CB 4.42Å; W115-R173 HydrophobicContact CH2-CG 3.71Å; W115-R173 HydrophobicContact CZ2-CG 4.11Å; W115-R173 HydrophobicContact CZ3-CB 3.85Å; W115-R173 HydrophobicContact CZ3-CG 3.65Å; W115-R173 VanDerWaalsContact NE1-NH1 3.1Å; W115-P381 HydrophobicContact CH2-CG 4.41Å; W115-P381 HydrophobicContact CZ2-CB 4.04Å; W115-P381 HydrophobicContact CZ2-CG 3.93Å
116	Q	85.8	Confident	82.6	Confident	50 Å²	50	32.5 Å²	32.5	23%	0.234	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	134.3	-179.3	-65.9	-63.3	-47.4	0	0	110.5	H106 K107 T109 H113 R118	H106-Q116 CarbonylContact C-O 3.54Å; H106-Q116 WeakPolarHBondContact CA-O 3.47Å; K107-Q116 PolarHBondContact N-O 2.89Å; K107-Q116 PolarHBondContact O-N 3.43Å; T109-Q116 HydrophobicContact CG2-CB 3.98Å; T109-Q116 HydrophobicContact CG2-CG 3.89Å; H113-Q116 HydrophobicContact CB-CG 4.36Å; H113-Q116 PolarHBondContact O-NE2 2.83Å; Q116-R118 PolarHBondContact O-N 2.97Å
117	P	90.9	Very high	82.5	Confident	60 Å²	60	30 Å²	30	39%	0.39	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	133.4	174.3	29.3	-33.7	0	0	0	109.6	I104	I104-P117 HydrophobicContact CG2-CB 3.91Å
118	R	92.4	Very high	82.3	Confident	22 Å²	22	30.1 Å²	30.1	8%	0.083	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	146.5	175.5	-62.4	-65.2	177.9	-114.3	12	108.6	I104 L105 K107 Q116 F120 Y129 E405	I104-R118 WeakPolarHBondContact CA-O 3.39Å; L105-R118 PolarHBondContact N-O 3.36Å; L105-R118 PolarHBondContact O-N 3.13Å; L105-R118 VanDerWaalsContact O-O 3.1Å; K107-R118 HydrophobicContact CB-CG 4.06Å; Q116-R118 PolarHBondContact O-N 2.97Å; R118-F120 HydrophobicContact CB-CD2 4.15Å; R118-F120 HydrophobicContact CB-CE2 3.64Å; R118-F120 HydrophobicContact CB-CZ 4.43Å; R118-F120 WeakPolarHBondContact O-CD2 3.34Å; R118-Y129 HydrophobicContact CB-CD2 4.02Å; R118-Y129 HydrophobicContact CG-CD2 3.99Å; R118-Y129 HydrophobicContact CG-CE2 4.36Å; R118-E405 IonicContact NH2-OE2 2.67Å
119	Y	91.8	Very high	82.5	Confident	29 Å²	29	28.9 Å²	28.9	11%	0.114	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	116.2	177.2	-172.1	-101.9	0	0	0	108.9	A102 I104 I121 Y129 Y130 Q133 I136	A102-Y119 HydrophobicContact CB-CE1 4.38Å; A102-Y119 WeakPolarHBondContact CB-OH 3.31Å; I104-Y119 HydrophobicContact CD1-CD2 3.78Å; I104-Y119 HydrophobicContact CD1-CG 4.4Å; I104-Y119 HydrophobicContact CG1-CD2 4.37Å; Y119-I121 HydrophobicContact CD1-CD1 4.23Å; Y119-I121 HydrophobicContact CD1-CG1 3.95Å; Y119-I121 HydrophobicContact CE1-CD1 3.78Å; Y119-I121 HydrophobicContact CE1-CG1 3.61Å; Y119-Y129 CarbonylContact O-C 3.57Å; Y119-Y129 VanDerWaalsContact O-CA 3.28Å; Y119-Y129 WeakPolarHBondContact O-CA 3.43Å; Y119-Y130 HydrophobicContact CD1-CD2 4.4Å; Y119-Y130 PolarHBondContact N-O 2.97Å; Y119-Y130 PolarHBondContact O-N 3.33Å; Y119-Q133 HydrophobicContact CD1-CB 4.43Å; Y119-Q133 HydrophobicContact CD2-CB 3.9Å; Y119-Q133 HydrophobicContact CD2-CG 4.43Å; Y119-Q133 HydrophobicContact CE1-CB 4.48Å; Y119-Q133 HydrophobicContact CE1-CG 4.29Å; Y119-Q133 HydrophobicContact CE2-CB 3.96Å; Y119-Q133 HydrophobicContact CE2-CG 3.99Å; Y119-Q133 HydrophobicContact CG-CB 4.14Å; Y119-I136 HydrophobicContact CD1-CD1 4.02Å; Y119-I136 HydrophobicContact CD1-CG1 4.26Å; Y119-I136 HydrophobicContact CE1-CD1 3.66Å; Y119-I136 HydrophobicContact CE1-CG1 4.39Å
120	F	93.9	Very high	83.1	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	145	-179.6	-77.2	-101.6	0	0	0	110.8	A102 G103 L105 K107 R118 L127 A128 Y129 W170 L172 W183	A102-F120 CarbonylContact C-O 3.58Å; A102-F120 WeakPolarHBondContact CA-O 3.2Å; G103-F120 PolarHBondContact N-O 3.19Å; G103-F120 PolarHBondContact O-N 2.99Å; L105-F120 HydrophobicContact CB-CD2 3.52Å; L105-F120 HydrophobicContact CB-CE2 3.65Å; L105-F120 HydrophobicContact CB-CG 4.35Å; L105-F120 HydrophobicContact CD1-CB 4.08Å; L105-F120 HydrophobicContact CD1-CD1 4.28Å; L105-F120 HydrophobicContact CD1-CD2 3.84Å; L105-F120 HydrophobicContact CD1-CE2 4.29Å; L105-F120 HydrophobicContact CD1-CG 3.82Å; L105-F120 HydrophobicContact CG-CB 4.42Å; L105-F120 HydrophobicContact CG-CD2 3.88Å; L105-F120 HydrophobicContact CG-CE2 4.41Å; L105-F120 HydrophobicContact CG-CG 4.27Å; K107-F120 HydrophobicContact CB-CE2 4.31Å; K107-F120 HydrophobicContact CB-CZ 4.12Å; K107-F120 HydrophobicContact CD-CZ 4.27Å; R118-F120 HydrophobicContact CB-CD2 4.15Å; R118-F120 HydrophobicContact CB-CE2 3.64Å; R118-F120 HydrophobicContact CB-CZ 4.43Å; R118-F120 WeakPolarHBondContact O-CD2 3.34Å; F120-L127 HydrophobicContact CB-CD1 4.44Å; F120-L127 HydrophobicContact CD1-CD1 3.91Å; F120-L127 HydrophobicContact CD1-CD2 4.38Å; F120-L127 HydrophobicContact CD1-CG 4.06Å; F120-A128 CarbonylContact C-O 3.5Å; F120-A128 WeakPolarHBondContact CA-O 3.49Å; F120-Y129 VanDerWaalsContact CE1-CB 3.45Å; F120-Y129 HydrophobicContact CE1-CD1 4.18Å; F120-Y129 HydrophobicContact CE1-CG 4.07Å; F120-Y129 HydrophobicContact CZ-CD1 4.39Å; F120-Y129 HydrophobicContact CZ-CG 4.04Å; F120-W170 AromaticContact CE1-CE3 3.86Å; F120-W170 HydrophobicContact CE1-CE3 3.86Å; F120-W170 AromaticContact CE1-CZ3 3.89Å; F120-W170 HydrophobicContact CE1-CZ3 3.89Å; F120-L172 HydrophobicContact CE1-CD1 4.18Å; F120-L172 HydrophobicContact CE1-CD2 3.85Å; F120-L172 HydrophobicContact CE2-CD2 4.02Å; F120-L172 HydrophobicContact CZ-CD1 4.42Å; F120-L172 HydrophobicContact CZ-CD2 3.33Å; F120-W183 HydrophobicContact CB-CH2 3.64Å; F120-W183 HydrophobicContact CB-CZ2 4.21Å; F120-W183 HydrophobicContact CB-CZ3 4.31Å
121	I	91.5	Very high	83.5	Confident	25 Å²	25	33.3 Å²	33.3	13%	0.128	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	123.7	172.9	-53.2	-178.8	0	0	0	107.4	V100 A102 Y119 Q123 A128 Y130 I136	V100-I121 HydrophobicContact CG1-CG2 4.35Å; A102-I121 HydrophobicContact CB-CG1 4.24Å; Y119-I121 HydrophobicContact CD1-CD1 4.23Å; Y119-I121 HydrophobicContact CD1-CG1 3.95Å; Y119-I121 HydrophobicContact CE1-CD1 3.78Å; Y119-I121 HydrophobicContact CE1-CG1 3.61Å; I121-Q123 HydrophobicContact CG2-CB 4.2Å; I121-A128 PolarHBondContact N-O 2.77Å; I121-A128 PolarHBondContact O-N 2.97Å; I121-Y130 HydrophobicContact CB-CE2 4.3Å; I121-Y130 HydrophobicContact CD1-CD2 4.06Å; I121-Y130 HydrophobicContact CD1-CE2 3.52Å; I121-Y130 HydrophobicContact CG1-CD2 4.19Å; I121-Y130 HydrophobicContact CG1-CE2 3.85Å; I121-I136 HydrophobicContact CD1-CD1 4.1Å; I121-I136 HydrophobicContact CD1-CG1 4.47Å
122	L	90.7	Very high	84.5	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	109.6	169.2	176.8	61.4	0	0	0	108.4	V101 T126 L127 V146 W183 A186 L187 Y190	V101-L122 HydrophobicContact CB-CB 4.35Å; V101-L122 PolarHBondContact N-O 3.22Å; V101-L122 PolarHBondContact O-N 2.61Å; L122-T126 WeakPolarHBondContact CA-O 3.33Å; L122-L127 HydrophobicContact CB-CD1 4.08Å; L122-L127 HydrophobicContact CD1-CB 4.22Å; L122-V146 HydrophobicContact CD1-CG2 3.47Å; L122-V146 VanDerWaalsContact CD1-CG2 3.47Å; L122-W183 HydrophobicContact CB-CZ3 4.01Å; L122-A186 HydrophobicContact CD2-CB 3.86Å; L122-L187 HydrophobicContact CD1-CD2 4.01Å; L122-L187 HydrophobicContact CD2-CD2 3.79Å; L122-L187 HydrophobicContact CD2-CG 4.14Å; L122-L187 HydrophobicContact CG-CD2 4.49Å; L122-Y190 HydrophobicContact CD1-CD2 4.08Å; L122-Y190 HydrophobicContact CD1-CE2 4.4Å; L122-Y190 HydrophobicContact CD1-CG 4.43Å; L122-Y190 HydrophobicContact CD2-CD2 3.65Å; L122-Y190 HydrophobicContact CD2-CE2 3.93Å; L122-Y190 HydrophobicContact CG-CD2 3.74Å; L122-Y190 HydrophobicContact CG-CE2 3.74Å
123	Q	84.2	Confident	85.9	Confident	85 Å²	85	34.9 Å²	34.9	40%	0.397	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	138.9	-178.9	-175.3	174.9	21.5	0	0	110	V100 I121 G125 T126	V100-Q123 HydrophobicContact CG1-CB 4.34Å; V100-Q123 HydrophobicContact CG2-CG 4.04Å; I121-Q123 HydrophobicContact CG2-CB 4.2Å; Q123-G125 PolarHBondContact O-N 3.09Å; Q123-G125 VanDerWaalsContact O-N 3.15Å; Q123-T126 PolarHBondContact N-O 3.17Å; Q123-T126 PolarHBondContact O-N 3.18Å
124	G	80.7	Confident	86.8	Confident	68 Å²	68	40.6 Å²	40.6	70%	0.701	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.2	27.5	174	0	0	0	0	0	114.2	T126	G124-T126 VanDerWaalsContact C-N 3.28Å; G124-T126 PolarHBondContact O-N 3.41Å
125	G	84	Confident	86.6	Confident	5 Å²	5	42.6 Å²	42.6	5%	0.052	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	9.2	-176.1	0	0	0	0	0	114.7	Q123 V146 Y190	Q123-G125 PolarHBondContact O-N 3.09Å; Q123-G125 VanDerWaalsContact O-N 3.15Å; G125-V146 WeakPolarHBondContact O-CB 3.41Å; G125-V146 WeakPolarHBondContact O-CG2 3.5Å; G125-V146 PolarHBondContact O-N 3Å; G125-Y190 VanDerWaalsContact N-CD1 3.28Å; G125-Y190 VanDerWaalsContact N-CE1 3.3Å
126	T	85	Confident	86	Confident	34 Å²	34	43 Å²	43	21%	0.209	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.9	174.2	-58.5	0	0	0	0	110.2	L122 Q123 G124 A143 V144 T238	L122-T126 WeakPolarHBondContact CA-O 3.33Å; Q123-T126 PolarHBondContact N-O 3.17Å; Q123-T126 PolarHBondContact O-N 3.18Å; G124-T126 VanDerWaalsContact C-N 3.28Å; G124-T126 PolarHBondContact O-N 3.41Å; T126-A143 HydrophobicContact CG2-CB 3.96Å; T126-V144 WeakPolarHBondContact CA-O 3.19Å; T126-T238 HydrophobicContact CG2-CG2 4.3Å
127	L	90.3	Very high	85.4	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	107.9	168.4	-179.1	69	0	0	0	108.2	F120 L122 A143 V144 V146 V163 W170 L172 W183 L187	F120-L127 HydrophobicContact CB-CD1 4.44Å; F120-L127 HydrophobicContact CD1-CD1 3.91Å; F120-L127 HydrophobicContact CD1-CD2 4.38Å; F120-L127 HydrophobicContact CD1-CG 4.06Å; L122-L127 HydrophobicContact CB-CD1 4.08Å; L122-L127 HydrophobicContact CD1-CB 4.22Å; L127-A143 CarbonylContact O-C 3.49Å; L127-A143 WeakPolarHBondContact O-CA 3.46Å; L127-V144 HydrophobicContact CB-CG2 3.94Å; L127-V144 HydrophobicContact CD2-CG2 4.3Å; L127-V144 PolarHBondContact N-O 3.08Å; L127-V144 PolarHBondContact O-N 3.37Å; L127-V146 HydrophobicContact CB-CG2 3.84Å; L127-V163 HydrophobicContact CD2-CG1 4.33Å; L127-V163 HydrophobicContact CD2-CG2 4.43Å; L127-W170 HydrophobicContact CD2-CE3 4.03Å; L127-W170 HydrophobicContact CD2-CZ3 3.98Å; L127-W170 HydrophobicContact CG-CZ3 4.05Å; L127-L172 HydrophobicContact CD2-CD1 4.32Å; L127-W183 HydrophobicContact CD1-CE3 4.49Å; L127-W183 HydrophobicContact CD1-CZ3 3.73Å; L127-L187 HydrophobicContact CB-CD2 4.41Å; L127-L187 HydrophobicContact CD1-CD2 4.3Å; L127-L187 HydrophobicContact CD2-CD2 4.07Å; L127-L187 HydrophobicContact CG-CD2 4.49Å
128	A	88.6	Confident	84.3	Confident	10 Å²	10	52.1 Å²	52.1	8%	0.083	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	149.5	177.6	0	0	0	0	0	110.8	F120 I121 Y130 C140 G142 A143	F120-A128 CarbonylContact C-O 3.5Å; F120-A128 WeakPolarHBondContact CA-O 3.49Å; I121-A128 PolarHBondContact N-O 2.77Å; I121-A128 PolarHBondContact O-N 2.97Å; A128-Y130 HydrophobicContact CB-CE2 4.15Å; A128-C140 HydrophobicContact CB-CB 4.16Å; A128-G142 CarbonylContact C-O 3.59Å; A128-G142 WeakPolarHBondContact CA-O 3.34Å; A128-A143 HydrophobicContact CB-CB 4.06Å
129	Y	89.7	Confident	83.3	Confident	8 Å²	8	52 Å²	52	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	151.1	173.5	79.7	-89.2	0	0	0	113	K107 R118 Y119 F120 C140 R141 G142 W170 D398	K107-Y129 HydrophobicContact CD-CD1 4.43Å; K107-Y129 HydrophobicContact CD-CD2 4.45Å; K107-Y129 HydrophobicContact CD-CE1 4.12Å; K107-Y129 HydrophobicContact CD-CE2 4.12Å; R118-Y129 HydrophobicContact CB-CD2 4.02Å; R118-Y129 HydrophobicContact CG-CD2 3.99Å; R118-Y129 HydrophobicContact CG-CE2 4.36Å; Y119-Y129 CarbonylContact O-C 3.57Å; Y119-Y129 VanDerWaalsContact O-CA 3.28Å; Y119-Y129 WeakPolarHBondContact O-CA 3.43Å; F120-Y129 VanDerWaalsContact CE1-CB 3.45Å; F120-Y129 HydrophobicContact CE1-CD1 4.18Å; F120-Y129 HydrophobicContact CE1-CG 4.07Å; F120-Y129 HydrophobicContact CZ-CD1 4.39Å; F120-Y129 HydrophobicContact CZ-CG 4.04Å; Y129-C140 WeakPolarHBondContact O-CA 2.84Å; Y129-R141 HydrophobicContact CD2-CB 3.88Å; Y129-R141 HydrophobicContact CE2-CB 3.33Å; Y129-R141 HydrophobicContact CE2-CG 4.28Å; Y129-R141 PolarHBondContact O-N 3.43Å; Y129-G142 WeakPolarHBondContact CD1-O 3.36Å; Y129-G142 VanDerWaalsContact CE1-CA 3.48Å; Y129-G142 PolarHBondContact N-O 3.35Å; Y129-W170 HydrophobicContact CD1-CE3 4.46Å; Y129-W170 AromaticContact CD1-CH2 3.53Å; Y129-W170 HydrophobicContact CD1-CH2 3.53Å; Y129-W170 AromaticContact CD1-CZ2 3.83Å; Y129-W170 HydrophobicContact CD1-CZ2 3.83Å; Y129-W170 AromaticContact CD1-CZ3 3.88Å; Y129-W170 HydrophobicContact CD1-CZ3 3.88Å; Y129-W170 AromaticContact CE1-CH2 3.86Å; Y129-W170 HydrophobicContact CE1-CH2 3.86Å; Y129-W170 AromaticContact CE1-CZ2 3.64Å; Y129-W170 HydrophobicContact CE1-CZ2 3.64Å; Y129-W170 HydrophobicContact CE1-CZ3 4.49Å; Y129-D398 PolarHBondContact OH-OD1 3.16Å; Y129-D398 PolarHBondContact OH-OD2 3.4Å
130	Y	87	Confident	82.6	Confident	31 Å²	31	52 Å²	52	12%	0.122	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	162.5	-176.3	-56	-96.3	0	0	0	108.8	Y119 I121 A128 I136 G139 C140	Y119-Y130 HydrophobicContact CD1-CD2 4.4Å; Y119-Y130 PolarHBondContact N-O 2.97Å; Y119-Y130 PolarHBondContact O-N 3.33Å; I121-Y130 HydrophobicContact CB-CE2 4.3Å; I121-Y130 HydrophobicContact CD1-CD2 4.06Å; I121-Y130 HydrophobicContact CD1-CE2 3.52Å; I121-Y130 HydrophobicContact CG1-CD2 4.19Å; I121-Y130 HydrophobicContact CG1-CE2 3.85Å; A128-Y130 HydrophobicContact CB-CE2 4.15Å; Y130-I136 HydrophobicContact CD1-CB 4.31Å; Y130-I136 HydrophobicContact CD1-CG1 4.29Å; Y130-I136 HydrophobicContact CD1-CG2 4.4Å; Y130-I136 HydrophobicContact CD2-CG1 4.42Å; Y130-I136 HydrophobicContact CE1-CB 4.38Å; Y130-I136 HydrophobicContact CE1-CG2 3.97Å; Y130-I136 HydrophobicContact CG-CG1 4.18Å; Y130-G139 WeakPolarHBondContact CD1-O 3.29Å; Y130-C140 HydrophobicContact CD1-CB 4.16Å; Y130-C140 VanDerWaalsContact CE1-CA 3.43Å; Y130-C140 HydrophobicContact CE1-CB 3.68Å; Y130-C140 VanDerWaalsContact CE1-N 3.35Å; Y130-C140 HydrophobicContact CE2-CB 4.37Å
131	K	80.1	Confident	81.9	Confident	68 Å²	68	57 Å²	57	30%	0.296	30%	0.299	S	S	.	.	S	Bend	trans	-64.9	-45.2	176.5	171.5	158.4	161	-171.9	0	111.9	E135 E405	K131-E135 WeakPolarHBondContact CB-OE2 3.31Å; K131-E135 WeakPolarHBondContact CD-OE2 3.45Å; K131-E135 VanDerWaalsContact CE-OE1 3.27Å; K131-E135 WeakPolarHBondContact CE-OE1 3.12Å; K131-E135 WeakPolarHBondContact CG-OE2 3.47Å; K131-E135 IonicContact NZ-OE1 2.69Å; K131-E405 WeakPolarHBondContact CD-OE1 3.37Å; K131-E405 WeakPolarHBondContact CE-OE1 3.22Å; K131-E405 IonicContact NZ-OE1 2.74Å; K131-E405 PolarHBondContact NZ-OE1 2.8Å
132	S	84.1	Confident	81.5	Confident	32 Å²	32	56.7 Å²	56.7	22%	0.224	30%	0.301	C	S	.	.			trans	-150.5	171.2	175.5	67.3	0	0	0	0	110.1	D134 E135	S132-D134 VanDerWaalsContact C-N 3.27Å; S132-D134 PolarHBondContact O-N 3.22Å; S132-D134 PolarHBondContact OG-N 3.39Å; S132-E135 PolarHBondContact O-N 2.96Å; S132-E135 WeakPolarHBondContact OG-CG 3.29Å; S132-E135 PolarHBondContact OG-N 3.37Å
133	Q	83.8	Confident	81.2	Confident	121 Å²	121	57.8 Å²	57.8	57%	0.565	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-64.2	-31.8	174.3	-174.8	174.4	-15.9	0	0	112.5	Y119 E135 I136	Y119-Q133 HydrophobicContact CD1-CB 4.43Å; Y119-Q133 HydrophobicContact CD2-CB 3.9Å; Y119-Q133 HydrophobicContact CD2-CG 4.43Å; Y119-Q133 HydrophobicContact CE1-CB 4.48Å; Y119-Q133 HydrophobicContact CE1-CG 4.29Å; Y119-Q133 HydrophobicContact CE2-CB 3.96Å; Y119-Q133 HydrophobicContact CE2-CG 3.99Å; Y119-Q133 HydrophobicContact CG-CB 4.14Å; Q133-E135 VanDerWaalsContact C-N 3.29Å; Q133-E135 PolarHBondContact O-N 3.45Å; Q133-I136 HydrophobicContact CG-CD1 4.34Å; Q133-I136 WeakPolarHBondContact O-CD1 3.27Å; Q133-I136 VanDerWaalsContact O-CG1 3.27Å; Q133-I136 WeakPolarHBondContact O-CG1 3.14Å
134	D	79.3	Confident	81.2	Confident	143 Å²	143	54.6 Å²	54.6	77%	0.765	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-77.2	-16.2	178.8	-54	-43.7	0	0	0	112.8	S132	S132-D134 VanDerWaalsContact C-N 3.27Å; S132-D134 PolarHBondContact O-N 3.22Å; S132-D134 PolarHBondContact OG-N 3.39Å
135	E	75.6	Confident	81.4	Confident	53 Å²	53	53 Å²	53	25%	0.248	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-101.4	14.4	-176.3	-71.5	-173.1	-150.8	0	0	113.3	K131 S132 Q133 E137 F138	K131-E135 WeakPolarHBondContact CB-OE2 3.31Å; K131-E135 WeakPolarHBondContact CD-OE2 3.45Å; K131-E135 VanDerWaalsContact CE-OE1 3.27Å; K131-E135 WeakPolarHBondContact CE-OE1 3.12Å; K131-E135 WeakPolarHBondContact CG-OE2 3.47Å; K131-E135 IonicContact NZ-OE1 2.69Å; S132-E135 PolarHBondContact O-N 2.96Å; S132-E135 WeakPolarHBondContact OG-CG 3.29Å; S132-E135 PolarHBondContact OG-N 3.37Å; Q133-E135 VanDerWaalsContact C-N 3.29Å; Q133-E135 PolarHBondContact O-N 3.45Å; E135-E137 PolarHBondContact O-N 3.44Å; E135-F138 HydrophobicContact CB-CD2 3.82Å; E135-F138 HydrophobicContact CB-CE2 4.45Å; E135-F138 HydrophobicContact CG-CD2 3.87Å; E135-F138 HydrophobicContact CG-CE2 4.08Å; E135-F138 PolarHBondContact O-N 2.9Å
136	I	77.5	Confident	81.4	Confident	60 Å²	60	52.7 Å²	52.7	31%	0.308	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-59.8	-35.8	178.4	-64.2	167	0	0	0	111.2	Y119 I121 Y130 Q133 F138 G139	Y119-I136 HydrophobicContact CD1-CD1 4.02Å; Y119-I136 HydrophobicContact CD1-CG1 4.26Å; Y119-I136 HydrophobicContact CE1-CD1 3.66Å; Y119-I136 HydrophobicContact CE1-CG1 4.39Å; I121-I136 HydrophobicContact CD1-CD1 4.1Å; I121-I136 HydrophobicContact CD1-CG1 4.47Å; Y130-I136 HydrophobicContact CD1-CB 4.31Å; Y130-I136 HydrophobicContact CD1-CG1 4.29Å; Y130-I136 HydrophobicContact CD1-CG2 4.4Å; Y130-I136 HydrophobicContact CD2-CG1 4.42Å; Y130-I136 HydrophobicContact CE1-CB 4.38Å; Y130-I136 HydrophobicContact CE1-CG2 3.97Å; Y130-I136 HydrophobicContact CG-CG1 4.18Å; Q133-I136 HydrophobicContact CG-CD1 4.34Å; Q133-I136 WeakPolarHBondContact O-CD1 3.27Å; Q133-I136 VanDerWaalsContact O-CG1 3.27Å; Q133-I136 WeakPolarHBondContact O-CG1 3.14Å; I136-F138 PolarHBondContact O-N 3.46Å; I136-G139 PolarHBondContact O-N 3.43Å; I136-G139 VanDerWaalsContact O-N 3.13Å
137	E	71.4	Confident	81.2	Confident	148 Å²	148	53.5 Å²	53.5	69%	0.692	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-63.4	-25.8	-179.8	-62.8	178.4	-179.2	0	0	113.4	E135 G139	E135-E137 PolarHBondContact O-N 3.44Å; E137-G139 PolarHBondContact O-N 3.29Å
138	F	69	Low	80.5	Confident	153 Å²	153	58 Å²	58	67%	0.671	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-79.3	-4	178.7	-61.4	-69.2	0	0	0	113.3	E135 I136	E135-F138 HydrophobicContact CB-CD2 3.82Å; E135-F138 HydrophobicContact CB-CE2 4.45Å; E135-F138 HydrophobicContact CG-CD2 3.87Å; E135-F138 HydrophobicContact CG-CE2 4.08Å; E135-F138 PolarHBondContact O-N 2.9Å; I136-F138 PolarHBondContact O-N 3.46Å
139	G	70.6	Confident	80.2	Confident	19 Å²	19	57.5 Å²	57.5	20%	0.196	29%	0.293	C	S	.	.			trans	93.1	162.1	-177.1	0	0	0	0	0	113.3	Y130 I136 E137	Y130-G139 WeakPolarHBondContact CD1-O 3.29Å; I136-G139 PolarHBondContact O-N 3.43Å; I136-G139 VanDerWaalsContact O-N 3.13Å; E137-G139 PolarHBondContact O-N 3.29Å
140	C	78.4	Confident	80.1	Confident	29 Å²	29	60.7 Å²	60.7	20%	0.196	31%	0.313	C	S	.	.			trans	-72.3	148.2	-179.5	63.4	0	0	0	0	111.6	A128 Y129 Y130 I242	A128-C140 HydrophobicContact CB-CB 4.16Å; Y129-C140 WeakPolarHBondContact O-CA 2.84Å; Y130-C140 HydrophobicContact CD1-CB 4.16Å; Y130-C140 VanDerWaalsContact CE1-CA 3.43Å; Y130-C140 HydrophobicContact CE1-CB 3.68Å; Y130-C140 VanDerWaalsContact CE1-N 3.35Å; Y130-C140 HydrophobicContact CE2-CB 4.37Å; C140-I242 WeakPolarHBondContact SG-CD1 3.31Å
141	R	78.9	Confident	80.2	Confident	106 Å²	106	59.9 Å²	59.9	40%	0.4	31%	0.31	S	S	.	.	S	Bend	trans	-80.7	-28.6	172.5	-68.1	-57.4	-165.6	124.9	1.1	112.5	Y129 D401 E405	Y129-R141 HydrophobicContact CD2-CB 3.88Å; Y129-R141 HydrophobicContact CE2-CB 3.33Å; Y129-R141 HydrophobicContact CE2-CG 4.28Å; Y129-R141 PolarHBondContact O-N 3.43Å; R141-D401 IonicContact CZ-OD2 3.61Å; R141-D401 IonicContact NH1-OD2 3.62Å; R141-D401 PolarHBondContact NH1-OD2 2.9Å; R141-E405 IonicContact NH2-OE1 3.15Å
142	G	82.1	Confident	80.7	Confident	17 Å²	17	62 Å²	62	18%	0.175	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	154.6	170.3	0	0	0	0	0	110.9	A128 Y129	A128-G142 CarbonylContact C-O 3.59Å; A128-G142 WeakPolarHBondContact CA-O 3.34Å; Y129-G142 WeakPolarHBondContact CD1-O 3.36Å; Y129-G142 VanDerWaalsContact CE1-CA 3.48Å; Y129-G142 PolarHBondContact N-O 3.35Å
143	A	84.4	Confident	80.9	Confident	24 Å²	24	62.9 Å²	62.9	20%	0.198	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	142.2	-179.8	0	0	0	0	0	110.2	T126 L127 A128	T126-A143 HydrophobicContact CG2-CB 3.96Å; L127-A143 CarbonylContact O-C 3.49Å; L127-A143 WeakPolarHBondContact O-CA 3.46Å; A128-A143 HydrophobicContact CB-CB 4.06Å
144	V	85	Confident	81	Confident	18 Å²	18	58.5 Å²	58.5	11%	0.109	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	140	175.2	-66.5	0	0	0	0	111.1	T126 L127 V146 V165 W170	T126-V144 WeakPolarHBondContact CA-O 3.19Å; L127-V144 HydrophobicContact CB-CG2 3.94Å; L127-V144 HydrophobicContact CD2-CG2 4.3Å; L127-V144 PolarHBondContact N-O 3.08Å; L127-V144 PolarHBondContact O-N 3.37Å; V144-V146 PolarHBondContact O-N 3.02Å; V144-V165 HydrophobicContact CB-CG2 4.03Å; V144-V165 HydrophobicContact CG1-CG2 4.44Å; V144-W170 HydrophobicContact CB-CH2 4.26Å; V144-W170 HydrophobicContact CG1-CH2 3.8Å; V144-W170 HydrophobicContact CG1-CZ2 3.59Å; V144-W170 HydrophobicContact CG1-CZ3 4.34Å; V144-W170 HydrophobicContact CG2-CE3 4.02Å; V144-W170 HydrophobicContact CG2-CH2 3.82Å; V144-W170 HydrophobicContact CG2-CZ2 4.4Å; V144-W170 HydrophobicContact CG2-CZ3 3.62Å
145	T	83.7	Confident	81.2	Confident	33 Å²	33	59.8 Å²	59.8	20%	0.202	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	121.1	174.6	-49.4	0	0	0	0	110.4	C147	T145-C147 VanDerWaalsContact C-N 3.35Å; T145-C147 HydrophobicContact CG2-CB 4.11Å; T145-C147 PolarHBondContact O-N 3.48Å
146	V	86	Confident	81.6	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-71.3	-27.9	-175.5	-176.2	0	0	0	0	112.8	L122 G125 L127 V144 K148 A149 L187 R191	L122-V146 HydrophobicContact CD1-CG2 3.47Å; L122-V146 VanDerWaalsContact CD1-CG2 3.47Å; G125-V146 WeakPolarHBondContact O-CB 3.41Å; G125-V146 WeakPolarHBondContact O-CG2 3.5Å; G125-V146 PolarHBondContact O-N 3Å; L127-V146 HydrophobicContact CB-CG2 3.84Å; V144-V146 PolarHBondContact O-N 3.02Å; V146-K148 PolarHBondContact O-N 3.32Å; V146-A149 WeakPolarHBondContact O-CB 3.29Å; V146-A149 PolarHBondContact O-N 3.22Å; V146-L187 HydrophobicContact CG1-CB 4.33Å; V146-L187 HydrophobicContact CG1-CD2 4.01Å; V146-L187 WeakPolarHBondContact CG1-O 3.41Å; V146-L187 HydrophobicContact CG2-CD2 3.9Å; V146-R191 HydrophobicContact CG1-CB 4.34Å
147	C	79.7	Confident	81.9	Confident	50 Å²	50	64.6 Å²	64.6	34%	0.338	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-52.6	-30.1	-179.5	-52.7	0	0	0	0	113.5	T145 S194	T145-C147 VanDerWaalsContact C-N 3.35Å; T145-C147 HydrophobicContact CG2-CB 4.11Å; T145-C147 PolarHBondContact O-N 3.48Å; C147-S194 WeakPolarHBondContact CB-OG 3.28Å; C147-S194 WeakPolarHBondContact SG-CB 3.42Å
148	K	74.8	Confident	82.7	Confident	95 Å²	95	60.6 Å²	60.6	41%	0.413	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-113.2	5	179.5	-66.8	-173.3	172	-166	0	113.7	V146 E231	V146-K148 PolarHBondContact O-N 3.32Å; K148-E231 HydrophobicContact CD-CG 3.56Å; K148-E231 IonicContact NZ-OE1 3.97Å; K148-E231 PolarHBondContact NZ-OE1 3.17Å
149	A	84.2	Confident	83.8	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.305	C	S	.	.			trans	-70.7	139	177.2	0	0	0	0	0	111	V146 V163 S164 V165 R191	V146-A149 WeakPolarHBondContact O-CB 3.29Å; V146-A149 PolarHBondContact O-N 3.22Å; A149-V163 HydrophobicContact CB-CG1 3.97Å; A149-S164 CarbonylContact C-O 3.51Å; A149-S164 VanDerWaalsContact CA-O 3.29Å; A149-S164 WeakPolarHBondContact CA-O 3.44Å; A149-V165 HydrophobicContact CB-CG2 3.76Å; A149-R191 WeakPolarHBondContact O-CD 3.15Å; A149-R191 PolarHBondContact O-NE 3.23Å
150	V	85.7	Confident	84.7	Confident	74 Å²	74	58 Å²	58	45%	0.448	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	113.9	162	178.7	0	0	0	0	106.3	S164	V150-S164 WeakPolarHBondContact CB-OG 3.31Å; V150-S164 PolarHBondContact N-O 2.78Å; V150-S164 PolarHBondContact O-N 3.17Å; V150-S164 PolarHBondContact O-OG 3.04Å
151	I	90.9	Very high	85.4	Confident	14 Å²	14	56.8 Å²	56.8	7%	0.072	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	117.3	179.7	-56	150.5	0	0	0	106.3	I161 V184 L187 E188 R191	I151-I161 HydrophobicContact CG2-CG2 3.82Å; I151-V184 HydrophobicContact CG2-CG1 4.47Å; I151-L187 VanDerWaalsContact CD1-C 3.46Å; I151-L187 HydrophobicContact CD1-CB 3.46Å; I151-L187 VanDerWaalsContact CD1-CB 3.46Å; I151-L187 HydrophobicContact CG1-CB 4.01Å; I151-L187 HydrophobicContact CG2-CD1 4.41Å; I151-E188 HydrophobicContact CD1-CB 4.49Å; I151-E188 HydrophobicContact CD1-CG 3.79Å; I151-R191 HydrophobicContact CD1-CB 4.48Å
152	Q	89	Confident	86	Confident	114 Å²	114	52.6 Å²	52.6	53%	0.533	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	97.6	-177.2	-171.7	169.7	9.3	0	0	109.7	N154 D162	Q152-N154 PolarHBondContact O-N 3.32Å; Q152-D162 HydrophobicContact CB-CB 4.42Å; Q152-D162 PolarHBondContact N-O 2.91Å; Q152-D162 PolarHBondContact O-N 3.32Å
153	P	89.1	Confident	86.5	Confident	50 Å²	50	51.9 Å²	51.9	33%	0.325	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	134.8	168.4	-19.9	32.5	0	0	0	109.9	V184	P153-V184 HydrophobicContact CB-CG2 4.5Å; P153-V184 HydrophobicContact CG-CG1 4.12Å; P153-V184 HydrophobicContact CG-CG2 3.91Å
154	N	86.1	Confident	86.5	Confident	28 Å²	28	52 Å²	52	15%	0.15	27%	0.265	C	S	.	.			trans	-72	134.4	-179.6	-167.9	-71.1	0	0	0	111	Q152 F156 D157 R160 R180	Q152-N154 PolarHBondContact O-N 3.32Å; N154-F156 PolarHBondContact OD1-N 2.92Å; N154-D157 HydrophobicContact CB-CB 4.19Å; N154-D157 PolarHBondContact OD1-N 2.95Å; N154-R160 HydrophobicContact CB-CB 3.82Å; N154-R160 HydrophobicContact CB-CG 3.91Å; N154-R160 PolarHBondContact N-O 2.8Å; N154-R180 PolarHBondContact O-NH1 3.1Å
155	E	83.9	Confident	86.3	Confident	171 Å²	171	52.2 Å²	52.2	80%	0.799	27%	0.267	S	S	*	.	S	Bend	trans	-71.8	-28.5	-177.9	-64	-176.1	175.5	0	0	113.3
156	F	82.8	Confident	85.8	Confident	186 Å²	186	55.8 Å²	55.8	82%	0.816	28%	0.284	S	S	*	.	S	Bend	trans	-102.9	-32.7	-174.7	-55.2	-71.1	0	0	0	112.6	N154	N154-F156 PolarHBondContact OD1-N 2.92Å
157	D	84.8	Confident	85.1	Confident	27 Å²	27	61 Å²	61	14%	0.144	31%	0.312	C	S	.	.			trans	-102.7	107.5	-178.6	-174.6	-9.3	0	0	0	111.1	N154 Y159 R160 R173 R180	N154-D157 HydrophobicContact CB-CB 4.19Å; N154-D157 PolarHBondContact OD1-N 2.95Å; D157-Y159 PolarHBondContact O-N 2.76Å; D157-Y159 WeakPolarHBondContact OD1-CD2 3.44Å; D157-Y159 PolarHBondContact OD1-N 2.86Å; D157-R160 HydrophobicContact CB-CB 3.88Å; D157-R160 PolarHBondContact O-N 2.85Å; D157-R173 IonicContact OD2-CZ 3.72Å; D157-R173 IonicContact OD2-NE 3.08Å; D157-R173 PolarHBondContact OD2-NE 3Å; D157-R173 IonicContact OD2-NH2 2.92Å; D157-R173 PolarHBondContact OD2-NH2 3.29Å; D157-R180 PolarHBondContact O-NH1 3.19Å
158	S	88	Confident	84.9	Confident	65 Å²	65	60.6 Å²	60.6	46%	0.455	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-5.2	-179.5	-63.5	0	0	0	0	114.7	A177 R180	S158-A177 WeakPolarHBondContact O-CB 3.43Å; S158-R180 VanDerWaalsContact CA-NH1 3.28Å; S158-R180 WeakPolarHBondContact O-CD 3.45Å; S158-R180 PolarHBondContact O-NE 2.56Å; S158-R180 PolarHBondContact O-NH1 2.89Å
159	Y	91.1	Very high	85.4	Confident	113 Å²	113	57.1 Å²	57.1	44%	0.443	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-10.9	-179.6	-55.3	-85.8	0	0	0	113.4	D157 R173 T174 A177	D157-Y159 PolarHBondContact O-N 2.76Å; D157-Y159 WeakPolarHBondContact OD1-CD2 3.44Å; D157-Y159 PolarHBondContact OD1-N 2.86Å; Y159-R173 WeakPolarHBondContact O-CA 3.26Å; Y159-T174 PolarHBondContact O-N 2.94Å; Y159-T174 PolarHBondContact O-OG1 2.85Å; Y159-A177 HydrophobicContact CE1-CB 4.43Å
160	R	90.6	Very high	85.7	Confident	5 Å²	5	58 Å²	58	2%	0.019	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139.9	-168.8	178	177.1	163.8	-171.8	-7.7	114.3	W115 N154 D157 D162 L172 R173 R180 D382	W115-R160 HydrophobicContact CH2-CG 4.35Å; N154-R160 HydrophobicContact CB-CB 3.82Å; N154-R160 HydrophobicContact CB-CG 3.91Å; N154-R160 PolarHBondContact N-O 2.8Å; D157-R160 HydrophobicContact CB-CB 3.88Å; D157-R160 PolarHBondContact O-N 2.85Å; R160-D162 WeakPolarHBondContact CG-OD1 3.44Å; R160-D162 IonicContact CZ-OD1 3.29Å; R160-D162 IonicContact CZ-OD2 3.03Å; R160-D162 IonicContact NE-OD1 3.71Å; R160-D162 PolarHBondContact NE-OD1 2.96Å; R160-D162 IonicContact NE-OD2 2.69Å; R160-D162 PolarHBondContact NE-OD2 3.46Å; R160-D162 IonicContact NH2-OD1 3.96Å; R160-D162 IonicContact NH2-OD2 3.6Å; R160-D162 PolarHBondContact NH2-OD2 3.23Å; R160-L172 CarbonylContact C-O 3.55Å; R160-L172 VanDerWaalsContact CA-O 3.23Å; R160-L172 WeakPolarHBondContact CA-O 3.41Å; R160-R173 HydrophobicContact CB-CG 3.98Å; R160-R173 HydrophobicContact CG-CG 4.49Å; R160-R180 WeakPolarHBondContact O-CD 3.49Å; R160-D382 IonicContact CZ-OD2 2.64Å; R160-D382 VanDerWaalsContact CZ-OD2 3.31Å; R160-D382 IonicContact NH1-OD1 3.44Å; R160-D382 PolarHBondContact NH1-OD1 3.2Å; R160-D382 IonicContact NH1-OD2 3.98Å; R160-D382 PolarHBondContact NH1-OD2 2.78Å; R160-D382 IonicContact NH2-OD2 4Å; R160-D382 PolarHBondContact NH2-OD2 2.79Å
161	I	93.3	Very high	86	Confident	3 Å²	3	55.3 Å²	55.3	2%	0.015	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	132.6	172.2	-47	161.7	0	0	0	107.8	I151 V163 L172 R180 W183 V184	I151-I161 HydrophobicContact CG2-CG2 3.82Å; I161-V163 HydrophobicContact CG2-CG2 4.37Å; I161-L172 PolarHBondContact N-O 3.31Å; I161-L172 WeakPolarHBondContact O-CB 3.36Å; I161-L172 PolarHBondContact O-N 3.48Å; I161-R180 HydrophobicContact CD1-CB 4.49Å; I161-R180 HydrophobicContact CD1-CG 3.6Å; I161-R180 WeakPolarHBondContact CD1-O 3.5Å; I161-R180 HydrophobicContact CG1-CG 3.35Å; I161-W183 HydrophobicContact CD1-CB 3.78Å; I161-V184 HydrophobicContact CD1-CG2 3.59Å; I161-V184 HydrophobicContact CG1-CG2 3.76Å; I161-V184 HydrophobicContact CG2-CG2 4.06Å
162	D	91.6	Very high	86.2	Confident	17 Å²	17	54.8 Å²	54.8	9%	0.091	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	121.8	176.5	-61.7	-7.6	0	0	0	108.4	Q152 R160 V169 W170 Y171	Q152-D162 HydrophobicContact CB-CB 4.42Å; Q152-D162 PolarHBondContact N-O 2.91Å; Q152-D162 PolarHBondContact O-N 3.32Å; R160-D162 WeakPolarHBondContact CG-OD1 3.44Å; R160-D162 IonicContact CZ-OD1 3.29Å; R160-D162 IonicContact CZ-OD2 3.03Å; R160-D162 IonicContact NE-OD1 3.71Å; R160-D162 PolarHBondContact NE-OD1 2.96Å; R160-D162 IonicContact NE-OD2 2.69Å; R160-D162 PolarHBondContact NE-OD2 3.46Å; R160-D162 IonicContact NH2-OD1 3.96Å; R160-D162 IonicContact NH2-OD2 3.6Å; R160-D162 PolarHBondContact NH2-OD2 3.23Å; D162-V169 HydrophobicContact CB-CG1 4.49Å; D162-W170 WeakPolarHBondContact CA-O 3.45Å; D162-Y171 HydrophobicContact CB-CD1 4.3Å; D162-Y171 VanDerWaalsContact CG-CD1 3.45Å; D162-Y171 WeakPolarHBondContact OD1-CD1 3.44Å; D162-Y171 WeakPolarHBondContact OD2-CD1 3.27Å
163	V	91.7	Very high	86.3	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.018	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	115.3	-179.9	-178	0	0	0	0	107.8	L127 A149 I161 V169 W170 L172 L187	L127-V163 HydrophobicContact CD2-CG1 4.33Å; L127-V163 HydrophobicContact CD2-CG2 4.43Å; A149-V163 HydrophobicContact CB-CG1 3.97Å; I161-V163 HydrophobicContact CG2-CG2 4.37Å; V163-V169 CarbonylContact O-C 3.6Å; V163-V169 WeakPolarHBondContact O-CA 3.38Å; V163-W170 PolarHBondContact N-O 3.26Å; V163-W170 PolarHBondContact O-N 3.28Å; V163-L172 HydrophobicContact CG2-CD1 3.92Å; V163-L187 HydrophobicContact CG2-CD1 3.93Å
164	S	85	Confident	86.5	Confident	26 Å²	26	51.4 Å²	51.4	18%	0.182	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.4	-177.2	61.8	0	0	0	0	113	A149 V150 C168 V169	A149-S164 CarbonylContact C-O 3.51Å; A149-S164 VanDerWaalsContact CA-O 3.29Å; A149-S164 WeakPolarHBondContact CA-O 3.44Å; V150-S164 WeakPolarHBondContact CB-OG 3.31Å; V150-S164 PolarHBondContact N-O 2.78Å; V150-S164 PolarHBondContact O-N 3.17Å; V150-S164 PolarHBondContact O-OG 3.04Å; S164-C168 CarbonylContact C-O 3.53Å; S164-C168 VanDerWaalsContact CA-O 3.29Å; S164-C168 WeakPolarHBondContact CA-O 3.35Å; S164-V169 VanDerWaalsContact CB-CG2 3.46Å
165	V	80.4	Confident	86.6	Confident	23 Å²	23	56.3 Å²	56.3	14%	0.139	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	114.5	174.7	-179.5	0	0	0	0	107.3	V144 A149 D167 C168	V144-V165 HydrophobicContact CB-CG2 4.03Å; V144-V165 HydrophobicContact CG1-CG2 4.44Å; A149-V165 HydrophobicContact CB-CG2 3.76Å; V165-D167 PolarHBondContact O-N 2.83Å; V165-C168 PolarHBondContact N-O 2.89Å; V165-C168 WeakPolarHBondContact O-CB 3.37Å; V165-C168 PolarHBondContact O-N 2.87Å
166	N	73.6	Confident	86.8	Confident	107 Å²	107	55.7 Å²	55.7	57%	0.572	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	-121.4	-175.5	-58.4	-33.8	0	0	0	111.7	C168	N166-C168 VanDerWaalsContact C-N 3.35Å
167	D	70.8	Confident	86.9	Confident	110 Å²	110	48.9 Å²	48.9	59%	0.588	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	15	179	-56.7	-35.1	0	0	0	112.5	V165 F378	V165-D167 PolarHBondContact O-N 2.83Å; D167-F378 WeakPolarHBondContact O-CZ 3.37Å
168	C	76.2	Confident	87.2	Confident	42 Å²	42	54.8 Å²	54.8	28%	0.284	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.8	174.4	-170.7	0	0	0	0	110.1	S164 V165 N166 W170	S164-C168 CarbonylContact C-O 3.53Å; S164-C168 VanDerWaalsContact CA-O 3.29Å; S164-C168 WeakPolarHBondContact CA-O 3.35Å; V165-C168 PolarHBondContact N-O 2.89Å; V165-C168 WeakPolarHBondContact O-CB 3.37Å; V165-C168 PolarHBondContact O-N 2.87Å; N166-C168 VanDerWaalsContact C-N 3.35Å; C168-W170 PolarHBondContact SG-NE1 2.84Å
169	V	84.8	Confident	87.3	Confident	21 Å²	21	54.3 Å²	54.3	13%	0.127	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	129.4	173.8	178.5	0	0	0	0	108.8	D162 V163 S164 Y171 F378	D162-V169 HydrophobicContact CB-CG1 4.49Å; V163-V169 CarbonylContact O-C 3.6Å; V163-V169 WeakPolarHBondContact O-CA 3.38Å; S164-V169 VanDerWaalsContact CB-CG2 3.46Å; V169-Y171 HydrophobicContact CB-CE2 4.32Å; V169-Y171 HydrophobicContact CG1-CD1 4.13Å; V169-Y171 HydrophobicContact CG1-CD2 4.38Å; V169-Y171 HydrophobicContact CG1-CE1 3.66Å; V169-Y171 HydrophobicContact CG1-CE2 3.92Å; V169-Y171 HydrophobicContact CG1-CG 4.47Å; V169-F378 HydrophobicContact CB-CD1 3.82Å; V169-F378 HydrophobicContact CB-CE1 3.29Å; V169-F378 HydrophobicContact CB-CZ 3.84Å; V169-F378 HydrophobicContact CG2-CD1 3.56Å; V169-F378 HydrophobicContact CG2-CD2 4.26Å; V169-F378 HydrophobicContact CG2-CE1 3.07Å; V169-F378 HydrophobicContact CG2-CE2 3.8Å; V169-F378 HydrophobicContact CG2-CG 4.13Å; V169-F378 HydrophobicContact CG2-CZ 3.15Å
170	W	90.6	Very high	87.3	Confident	18 Å²	18	51 Å²	51	7%	0.068	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	120.1	169	-66.2	-3.5	0	0	0	109.5	F120 L127 Y129 V144 D162 V163 C168 L172	F120-W170 AromaticContact CE1-CE3 3.86Å; F120-W170 HydrophobicContact CE1-CE3 3.86Å; F120-W170 AromaticContact CE1-CZ3 3.89Å; F120-W170 HydrophobicContact CE1-CZ3 3.89Å; L127-W170 HydrophobicContact CD2-CE3 4.03Å; L127-W170 HydrophobicContact CD2-CZ3 3.98Å; L127-W170 HydrophobicContact CG-CZ3 4.05Å; Y129-W170 HydrophobicContact CD1-CE3 4.46Å; Y129-W170 AromaticContact CD1-CH2 3.53Å; Y129-W170 HydrophobicContact CD1-CH2 3.53Å; Y129-W170 AromaticContact CD1-CZ2 3.83Å; Y129-W170 HydrophobicContact CD1-CZ2 3.83Å; Y129-W170 AromaticContact CD1-CZ3 3.88Å; Y129-W170 HydrophobicContact CD1-CZ3 3.88Å; Y129-W170 AromaticContact CE1-CH2 3.86Å; Y129-W170 HydrophobicContact CE1-CH2 3.86Å; Y129-W170 AromaticContact CE1-CZ2 3.64Å; Y129-W170 HydrophobicContact CE1-CZ2 3.64Å; Y129-W170 HydrophobicContact CE1-CZ3 4.49Å; V144-W170 HydrophobicContact CB-CH2 4.26Å; V144-W170 HydrophobicContact CG1-CH2 3.8Å; V144-W170 HydrophobicContact CG1-CZ2 3.59Å; V144-W170 HydrophobicContact CG1-CZ3 4.34Å; V144-W170 HydrophobicContact CG2-CE3 4.02Å; V144-W170 HydrophobicContact CG2-CH2 3.82Å; V144-W170 HydrophobicContact CG2-CZ2 4.4Å; V144-W170 HydrophobicContact CG2-CZ3 3.62Å; D162-W170 WeakPolarHBondContact CA-O 3.45Å; V163-W170 PolarHBondContact N-O 3.26Å; V163-W170 PolarHBondContact O-N 3.28Å; C168-W170 PolarHBondContact SG-NE1 2.84Å; W170-L172 HydrophobicContact CB-CD2 4.15Å; W170-L172 HydrophobicContact CB-CG 4.3Å
171	Y	91.5	Very high	87.4	Confident	18 Å²	18	54.8 Å²	54.8	7%	0.071	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	119	170.9	-49.5	-84.5	0	0	0	108.4	K107 W108 W115 D162 V169 G380 P381	K107-Y171 WeakPolarHBondContact CA-O 3.24Å; W108-Y171 HydrophobicContact CB-CD2 4.29Å; W108-Y171 HydrophobicContact CB-CG 4.43Å; W108-Y171 HydrophobicContact CG-CD2 4.5Å; W108-Y171 PolarHBondContact N-O 2.85Å; W115-Y171 VanDerWaalsContact CZ3-O 3.22Å; W115-Y171 WeakPolarHBondContact CZ3-O 3.47Å; D162-Y171 HydrophobicContact CB-CD1 4.3Å; D162-Y171 VanDerWaalsContact CG-CD1 3.45Å; D162-Y171 WeakPolarHBondContact OD1-CD1 3.44Å; D162-Y171 WeakPolarHBondContact OD2-CD1 3.27Å; V169-Y171 HydrophobicContact CB-CE2 4.32Å; V169-Y171 HydrophobicContact CG1-CD1 4.13Å; V169-Y171 HydrophobicContact CG1-CD2 4.38Å; V169-Y171 HydrophobicContact CG1-CE1 3.66Å; V169-Y171 HydrophobicContact CG1-CE2 3.92Å; V169-Y171 HydrophobicContact CG1-CG 4.47Å; Y171-G380 WeakPolarHBondContact OH-CA 3.43Å; Y171-P381 HydrophobicContact CD1-CG 4.03Å; Y171-P381 VanDerWaalsContact CD2-CD 3.41Å; Y171-P381 HydrophobicContact CD2-CG 4.39Å; Y171-P381 HydrophobicContact CG-CG 3.92Å
172	L	94.7	Very high	87.3	Confident	4 Å²	4	58.3 Å²	58.3	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.3	-173	-53.9	179	0	0	0	110.5	L105 H106 K107 F120 L127 R160 I161 V163 W170	L105-L172 HydrophobicContact CD1-CB 4.44Å; L105-L172 HydrophobicContact CD1-CD1 3.99Å; H106-L172 CarbonylContact O-C 3.53Å; H106-L172 WeakPolarHBondContact O-CA 3.48Å; K107-L172 HydrophobicContact CB-CD2 4.08Å; K107-L172 HydrophobicContact CG-CD2 4.16Å; F120-L172 HydrophobicContact CE1-CD1 4.18Å; F120-L172 HydrophobicContact CE1-CD2 3.85Å; F120-L172 HydrophobicContact CE2-CD2 4.02Å; F120-L172 HydrophobicContact CZ-CD1 4.42Å; F120-L172 HydrophobicContact CZ-CD2 3.33Å; L127-L172 HydrophobicContact CD2-CD1 4.32Å; R160-L172 CarbonylContact C-O 3.55Å; R160-L172 VanDerWaalsContact CA-O 3.23Å; R160-L172 WeakPolarHBondContact CA-O 3.41Å; I161-L172 PolarHBondContact N-O 3.31Å; I161-L172 WeakPolarHBondContact O-CB 3.36Å; I161-L172 PolarHBondContact O-N 3.48Å; V163-L172 HydrophobicContact CG2-CD1 3.92Å; W170-L172 HydrophobicContact CB-CD2 4.15Å; W170-L172 HydrophobicContact CB-CG 4.3Å
173	R	92.1	Very high	87.3	Confident	84 Å²	84	58.3 Å²	58.3	32%	0.317	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.9	174	-88.5	179.8	176.2	169.9	1.2	111.2	H106 W115 D157 Y159 R160	H106-R173 HydrophobicContact CB-CB 3.98Å; H106-R173 PolarHBondContact N-O 2.79Å; H106-R173 PolarHBondContact O-N 2.94Å; W115-R173 HydrophobicContact CD2-CG 4.37Å; W115-R173 HydrophobicContact CE3-CB 3.96Å; W115-R173 HydrophobicContact CE3-CG 4Å; W115-R173 HydrophobicContact CH2-CB 4.42Å; W115-R173 HydrophobicContact CH2-CG 3.71Å; W115-R173 HydrophobicContact CZ2-CG 4.11Å; W115-R173 HydrophobicContact CZ3-CB 3.85Å; W115-R173 HydrophobicContact CZ3-CG 3.65Å; W115-R173 VanDerWaalsContact NE1-NH1 3.1Å; D157-R173 IonicContact OD2-CZ 3.72Å; D157-R173 IonicContact OD2-NE 3.08Å; D157-R173 PolarHBondContact OD2-NE 3Å; D157-R173 IonicContact OD2-NH2 2.92Å; D157-R173 PolarHBondContact OD2-NH2 3.29Å; Y159-R173 WeakPolarHBondContact O-CA 3.26Å; R160-R173 HydrophobicContact CB-CG 3.98Å; R160-R173 HydrophobicContact CG-CG 4.49Å
174	T	92.9	Very high	87.3	Confident	9 Å²	9	58.2 Å²	58.2	6%	0.055	29%	0.29	C	S	.	.			trans	-94.4	162.5	172.8	50.3	0	0	0	0	110.9	L105 Y159 R176 D179 R180	L105-T174 HydrophobicContact CD2-CG2 3.46Å; L105-T174 VanDerWaalsContact CD2-CG2 3.46Å; Y159-T174 PolarHBondContact O-N 2.94Å; Y159-T174 PolarHBondContact O-OG1 2.85Å; T174-R176 WeakPolarHBondContact CB-O 3.4Å; T174-R176 PolarHBondContact OG1-O 2.58Å; T174-D179 HydrophobicContact CG2-CB 4.11Å; T174-R180 HydrophobicContact CG2-CB 4.26Å; T174-R180 WeakPolarHBondContact OG1-CB 3.37Å
175	E	88.7	Confident	87.6	Confident	131 Å²	131	61.1 Å²	61.1	61%	0.612	30%	0.303	S	S	*	.	S	Bend	trans	-75.7	-29.5	172.2	-65.7	-170.8	172.3	0	0	112
176	R	87.4	Confident	88.1	Confident	158 Å²	158	60.5 Å²	60.5	60%	0.596	30%	0.301	S	S	*	.	S	Bend	trans	-129.9	143.7	-178.6	-56.9	177.8	174.5	147	1.1	111	T174 E178 D179 R180	T174-R176 WeakPolarHBondContact CB-O 3.4Å; T174-R176 PolarHBondContact OG1-O 2.58Å; R176-E178 PolarHBondContact O-N 2.94Å; R176-D179 HydrophobicContact CB-CB 4.42Å; R176-D179 WeakPolarHBondContact CB-OD2 3.22Å; R176-D179 WeakPolarHBondContact O-CB 3.45Å; R176-D179 PolarHBondContact O-N 3.4Å; R176-D179 VanDerWaalsContact O-N 3.14Å; R176-R180 PolarHBondContact O-N 2.7Å; R176-R180 VanDerWaalsContact O-N 3.11Å
177	A	86.3	Confident	88.9	Confident	42 Å²	42	55.5 Å²	55.5	35%	0.347	27%	0.274	S	S	.	.	H	α-helix	trans	-61.8	-25.8	176.5	0	0	0	0	0	113.3	S158 Y159 R180 Q181	S158-A177 WeakPolarHBondContact O-CB 3.43Å; Y159-A177 HydrophobicContact CE1-CB 4.43Å; A177-R180 VanDerWaalsContact O-CB 3.27Å; A177-R180 WeakPolarHBondContact O-CB 3.5Å; A177-R180 PolarHBondContact O-N 3.31Å; A177-Q181 PolarHBondContact O-N 3.37Å
178	E	89.6	Confident	89.8	Confident	152 Å²	152	54.1 Å²	54.1	71%	0.71	26%	0.264	S	S	*	.	H	α-helix	trans	-70.8	-43.4	174.5	-64.1	175.3	-173.3	0	0	111.6	R176 R180 Q181 T182	R176-E178 PolarHBondContact O-N 2.94Å; E178-R180 PolarHBondContact O-N 2.95Å; E178-Q181 PolarHBondContact O-N 3.21Å; E178-Q181 VanDerWaalsContact O-N 3.13Å; E178-T182 PolarHBondContact O-N 3.25Å; E178-T182 PolarHBondContact O-OG1 3.47Å
179	D	91.5	Very high	90.3	Very high	55 Å²	55	54.6 Å²	54.6	29%	0.294	27%	0.271	S	S	.	.	H	α-helix	trans	-61.5	-36.3	175	-57.4	-23.8	0	0	0	109.8	T174 R176 Q181 T182 W183	T174-D179 HydrophobicContact CG2-CB 4.11Å; R176-D179 HydrophobicContact CB-CB 4.42Å; R176-D179 WeakPolarHBondContact CB-OD2 3.22Å; R176-D179 WeakPolarHBondContact O-CB 3.45Å; R176-D179 PolarHBondContact O-N 3.4Å; R176-D179 VanDerWaalsContact O-N 3.14Å; D179-Q181 PolarHBondContact O-N 3.46Å; D179-T182 WeakPolarHBondContact O-CB 3.18Å; D179-T182 PolarHBondContact O-N 3.13Å; D179-W183 VanDerWaalsContact O-CD1 3.22Å; D179-W183 PolarHBondContact O-N 3.45Å
180	R	91.2	Very high	90.1	Very high	42 Å²	42	54.2 Å²	54.2	16%	0.158	27%	0.267	C	S	.	.	H	α-helix	trans	-53.9	-53.3	173.1	-166.4	-169.8	58.3	170.6	-3.9	111	N154 D157 S158 R160 I161 T174 R176 A177 E178 T182 W183 V184	N154-R180 PolarHBondContact O-NH1 3.1Å; D157-R180 PolarHBondContact O-NH1 3.19Å; S158-R180 VanDerWaalsContact CA-NH1 3.28Å; S158-R180 WeakPolarHBondContact O-CD 3.45Å; S158-R180 PolarHBondContact O-NE 2.56Å; S158-R180 PolarHBondContact O-NH1 2.89Å; R160-R180 WeakPolarHBondContact O-CD 3.49Å; I161-R180 HydrophobicContact CD1-CB 4.49Å; I161-R180 HydrophobicContact CD1-CG 3.6Å; I161-R180 WeakPolarHBondContact CD1-O 3.5Å; I161-R180 HydrophobicContact CG1-CG 3.35Å; T174-R180 HydrophobicContact CG2-CB 4.26Å; T174-R180 WeakPolarHBondContact OG1-CB 3.37Å; R176-R180 PolarHBondContact O-N 2.7Å; R176-R180 VanDerWaalsContact O-N 3.11Å; A177-R180 VanDerWaalsContact O-CB 3.27Å; A177-R180 WeakPolarHBondContact O-CB 3.5Å; A177-R180 PolarHBondContact O-N 3.31Å; E178-R180 PolarHBondContact O-N 2.95Å; R180-T182 VanDerWaalsContact C-N 3.29Å; R180-T182 PolarHBondContact O-N 3.5Å; R180-W183 PolarHBondContact O-N 3.32Å; R180-V184 WeakPolarHBondContact O-CG2 3.41Å; R180-V184 PolarHBondContact O-N 3.15Å
181	Q	91.1	Very high	89.6	Confident	86 Å²	86	58.4 Å²	58.4	40%	0.402	28%	0.283	S	S	.	.	H	α-helix	trans	-64.2	-39.2	-178.5	-166.8	60.4	49.2	0	0	111	A177 E178 D179 W183 V184 D185	A177-Q181 PolarHBondContact O-N 3.37Å; E178-Q181 PolarHBondContact O-N 3.21Å; E178-Q181 VanDerWaalsContact O-N 3.13Å; D179-Q181 PolarHBondContact O-N 3.46Å; Q181-W183 VanDerWaalsContact C-N 3.32Å; Q181-W183 PolarHBondContact O-N 2.96Å; Q181-V184 PolarHBondContact O-N 2.85Å; Q181-V184 VanDerWaalsContact O-N 3.16Å; Q181-D185 PolarHBondContact NE2-OD1 3.44Å; Q181-D185 WeakPolarHBondContact O-CB 3.35Å; Q181-D185 PolarHBondContact O-N 2.88Å
182	T	91.3	Very high	88.9	Confident	77 Å²	77	60.8 Å²	60.8	47%	0.472	31%	0.307	S	S	.	.	H	α-helix	trans	-57.4	-43.9	175.4	-52.9	0	0	0	0	112.1	E178 D179 R180 A186	E178-T182 PolarHBondContact O-N 3.25Å; E178-T182 PolarHBondContact O-OG1 3.47Å; D179-T182 WeakPolarHBondContact O-CB 3.18Å; D179-T182 PolarHBondContact O-N 3.13Å; R180-T182 VanDerWaalsContact C-N 3.29Å; R180-T182 PolarHBondContact O-N 3.5Å; T182-A186 VanDerWaalsContact O-CB 3.31Å; T182-A186 WeakPolarHBondContact O-CB 3.43Å; T182-A186 PolarHBondContact O-N 3.31Å
183	W	92.8	Very high	87.6	Confident	16 Å²	16	65.9 Å²	65.9	6%	0.061	33%	0.334	C	S	.	.	H	α-helix	trans	-68.5	-40.5	175.7	-83.4	99.1	0	0	0	112.7	V101 L105 F120 L122 L127 I161 D179 R180 Q181 A186 L187	V101-W183 HydrophobicContact CB-CZ3 4.45Å; V101-W183 HydrophobicContact CG1-CD2 4.03Å; V101-W183 HydrophobicContact CG1-CE3 4.08Å; V101-W183 HydrophobicContact CG1-CH2 3.9Å; V101-W183 HydrophobicContact CG1-CZ2 3.84Å; V101-W183 HydrophobicContact CG1-CZ3 4.01Å; L105-W183 HydrophobicContact CD1-CD2 3.96Å; L105-W183 HydrophobicContact CD1-CE3 4.21Å; L105-W183 HydrophobicContact CD1-CG 4.47Å; L105-W183 HydrophobicContact CD1-CH2 4.31Å; L105-W183 HydrophobicContact CD1-CZ2 4.06Å; L105-W183 HydrophobicContact CD1-CZ3 4.38Å; L105-W183 HydrophobicContact CD2-CD2 4.4Å; L105-W183 HydrophobicContact CD2-CG 4.33Å; L105-W183 HydrophobicContact CD2-CZ2 4.49Å; L105-W183 HydrophobicContact CG-CZ2 4.16Å; F120-W183 HydrophobicContact CB-CH2 3.64Å; F120-W183 HydrophobicContact CB-CZ2 4.21Å; F120-W183 HydrophobicContact CB-CZ3 4.31Å; L122-W183 HydrophobicContact CB-CZ3 4.01Å; L127-W183 HydrophobicContact CD1-CE3 4.49Å; L127-W183 HydrophobicContact CD1-CZ3 3.73Å; I161-W183 HydrophobicContact CD1-CB 3.78Å; D179-W183 VanDerWaalsContact O-CD1 3.22Å; D179-W183 PolarHBondContact O-N 3.45Å; R180-W183 PolarHBondContact O-N 3.32Å; Q181-W183 VanDerWaalsContact C-N 3.32Å; Q181-W183 PolarHBondContact O-N 2.96Å; W183-A186 PolarHBondContact O-N 3.46Å; W183-L187 WeakPolarHBondContact O-CB 3.34Å; W183-L187 WeakPolarHBondContact O-CD1 3.47Å; W183-L187 WeakPolarHBondContact O-CG 3.43Å; W183-L187 PolarHBondContact O-N 3.23Å
184	V	91.2	Very high	85.9	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.012	34%	0.339	C	S	.	.	H	α-helix	trans	-60.4	-51.4	175.1	173.4	0	0	0	0	110.3	I151 P153 I161 R180 Q181 A186 L187 E188	I151-V184 HydrophobicContact CG2-CG1 4.47Å; P153-V184 HydrophobicContact CB-CG2 4.5Å; P153-V184 HydrophobicContact CG-CG1 4.12Å; P153-V184 HydrophobicContact CG-CG2 3.91Å; I161-V184 HydrophobicContact CD1-CG2 3.59Å; I161-V184 HydrophobicContact CG1-CG2 3.76Å; I161-V184 HydrophobicContact CG2-CG2 4.06Å; R180-V184 WeakPolarHBondContact O-CG2 3.41Å; R180-V184 PolarHBondContact O-N 3.15Å; Q181-V184 PolarHBondContact O-N 2.85Å; Q181-V184 VanDerWaalsContact O-N 3.16Å; V184-A186 VanDerWaalsContact C-N 3.3Å; V184-A186 PolarHBondContact O-N 3.09Å; V184-L187 PolarHBondContact O-N 2.95Å; V184-E188 HydrophobicContact CG1-CG 4.21Å; V184-E188 WeakPolarHBondContact O-CB 3.47Å; V184-E188 WeakPolarHBondContact O-CG 3.49Å; V184-E188 PolarHBondContact O-N 2.99Å
185	D	91.3	Very high	83.8	Confident	86 Å²	86	67.3 Å²	67.3	46%	0.46	37%	0.367	S	S	.	.	H	α-helix	trans	-59.6	-42.9	-178.8	-65	-15	0	0	0	110.8	Q181 A189	Q181-D185 PolarHBondContact NE2-OD1 3.44Å; Q181-D185 WeakPolarHBondContact O-CB 3.35Å; Q181-D185 PolarHBondContact O-N 2.88Å; D185-A189 VanDerWaalsContact O-CB 3.23Å; D185-A189 WeakPolarHBondContact O-CB 3.44Å; D185-A189 PolarHBondContact O-N 3.33Å
186	A	90.7	Very high	81.4	Confident	10 Å²	10	71.5 Å²	71.5	8%	0.083	38%	0.379	C	S	.	.	H	α-helix	trans	-64.7	-46.8	176.9	0	0	0	0	0	112.3	V101 L122 T182 W183 V184 A189 Y190	V101-A186 HydrophobicContact CB-CB 4.37Å; V101-A186 HydrophobicContact CG2-CB 3.62Å; L122-A186 HydrophobicContact CD2-CB 3.86Å; T182-A186 VanDerWaalsContact O-CB 3.31Å; T182-A186 WeakPolarHBondContact O-CB 3.43Å; T182-A186 PolarHBondContact O-N 3.31Å; W183-A186 PolarHBondContact O-N 3.46Å; V184-A186 VanDerWaalsContact C-N 3.3Å; V184-A186 PolarHBondContact O-N 3.09Å; A186-A189 PolarHBondContact O-N 3.41Å; A186-Y190 WeakPolarHBondContact O-CD2 3.43Å; A186-Y190 PolarHBondContact O-N 3.47Å; A186-Y190 VanDerWaalsContact O-N 3.14Å
187	L	91.2	Very high	79	Confident	2 Å²	2	66.9 Å²	66.9	1%	0.01	38%	0.38	C	S	.	.	H	α-helix	trans	-63.9	-42	178.3	-70.6	167.5	0	0	0	111.5	L122 L127 V146 I151 V163 W183 V184 R191	L122-L187 HydrophobicContact CD1-CD2 4.01Å; L122-L187 HydrophobicContact CD2-CD2 3.79Å; L122-L187 HydrophobicContact CD2-CG 4.14Å; L122-L187 HydrophobicContact CG-CD2 4.49Å; L127-L187 HydrophobicContact CB-CD2 4.41Å; L127-L187 HydrophobicContact CD1-CD2 4.3Å; L127-L187 HydrophobicContact CD2-CD2 4.07Å; L127-L187 HydrophobicContact CG-CD2 4.49Å; V146-L187 HydrophobicContact CG1-CB 4.33Å; V146-L187 HydrophobicContact CG1-CD2 4.01Å; V146-L187 WeakPolarHBondContact CG1-O 3.41Å; V146-L187 HydrophobicContact CG2-CD2 3.9Å; I151-L187 VanDerWaalsContact CD1-C 3.46Å; I151-L187 HydrophobicContact CD1-CB 3.46Å; I151-L187 VanDerWaalsContact CD1-CB 3.46Å; I151-L187 HydrophobicContact CG1-CB 4.01Å; I151-L187 HydrophobicContact CG2-CD1 4.41Å; V163-L187 HydrophobicContact CG2-CD1 3.93Å; W183-L187 WeakPolarHBondContact O-CB 3.34Å; W183-L187 WeakPolarHBondContact O-CD1 3.47Å; W183-L187 WeakPolarHBondContact O-CG 3.43Å; W183-L187 PolarHBondContact O-N 3.23Å; V184-L187 PolarHBondContact O-N 2.95Å; L187-R191 WeakPolarHBondContact O-CB 3.49Å; L187-R191 PolarHBondContact O-N 2.82Å
188	E	89.1	Confident	76.6	Confident	82 Å²	82	70.4 Å²	70.4	38%	0.383	40%	0.403	S	S	.	.	H	α-helix	trans	-67.9	-35.7	177.1	-72.9	-172.7	166.4	0	0	112.2	I151 V184 R191 A192	I151-E188 HydrophobicContact CD1-CB 4.49Å; I151-E188 HydrophobicContact CD1-CG 3.79Å; V184-E188 HydrophobicContact CG1-CG 4.21Å; V184-E188 WeakPolarHBondContact O-CB 3.47Å; V184-E188 WeakPolarHBondContact O-CG 3.49Å; V184-E188 PolarHBondContact O-N 2.99Å; E188-R191 WeakPolarHBondContact O-CB 3.42Å; E188-R191 PolarHBondContact O-N 3.17Å; E188-A192 WeakPolarHBondContact O-CB 3.4Å; E188-A192 PolarHBondContact O-N 2.99Å
189	A	85.7	Confident	73.9	Confident	51 Å²	51	72.5 Å²	72.5	42%	0.421	41%	0.412	S	S	.	.	H	α-helix	trans	-61.2	-51.7	174.6	0	0	0	0	0	111.6	D185 A186 R191 A192 D193	D185-A189 VanDerWaalsContact O-CB 3.23Å; D185-A189 WeakPolarHBondContact O-CB 3.44Å; D185-A189 PolarHBondContact O-N 3.33Å; A186-A189 PolarHBondContact O-N 3.41Å; A189-R191 PolarHBondContact O-N 3.27Å; A189-A192 PolarHBondContact O-N 3.38Å; A189-D193 WeakPolarHBondContact O-CB 3.22Å; A189-D193 PolarHBondContact O-N 3.44Å
190	Y	81.7	Confident	71.1	Confident	14 Å²	14	73.1 Å²	73.1	6%	0.055	43%	0.432	C	S	.	.	H	α-helix	trans	-61.5	-34.3	175.7	-85.1	-81.2	0	0	0	112.5	P98 P99 L122 G125 A186	P98-Y190 HydrophobicContact CB-CD1 4.28Å; P98-Y190 HydrophobicContact CB-CE1 3.69Å; P98-Y190 HydrophobicContact CB-CE2 4.05Å; P98-Y190 HydrophobicContact CG-CD1 4.08Å; P98-Y190 HydrophobicContact CG-CE1 3.33Å; P98-Y190 PolarHBondContact O-OH 2.75Å; P98-Y190 VanDerWaalsContact O-OH 3.13Å; P99-Y190 VanDerWaalsContact O-CE2 3.31Å; P99-Y190 WeakPolarHBondContact O-CE2 3.37Å; P99-Y190 PolarHBondContact O-OH 2.96Å; L122-Y190 HydrophobicContact CD1-CD2 4.08Å; L122-Y190 HydrophobicContact CD1-CE2 4.4Å; L122-Y190 HydrophobicContact CD1-CG 4.43Å; L122-Y190 HydrophobicContact CD2-CD2 3.65Å; L122-Y190 HydrophobicContact CD2-CE2 3.93Å; L122-Y190 HydrophobicContact CG-CD2 3.74Å; L122-Y190 HydrophobicContact CG-CE2 3.74Å; G125-Y190 VanDerWaalsContact N-CD1 3.28Å; G125-Y190 VanDerWaalsContact N-CE1 3.3Å; A186-Y190 WeakPolarHBondContact O-CD2 3.43Å; A186-Y190 PolarHBondContact O-N 3.47Å; A186-Y190 VanDerWaalsContact O-N 3.14Å
191	R	80.4	Confident	68.3	Low	105 Å²	105	80.1 Å²	80.1	40%	0.396	47%	0.466	S	S	.	.	H	α-helix	trans	-67.2	-43.3	175.1	-172.7	-177.4	179	-138.7	1.9	111.9	V146 A149 I151 L187 E188 A189 S194	V146-R191 HydrophobicContact CG1-CB 4.34Å; A149-R191 WeakPolarHBondContact O-CD 3.15Å; A149-R191 PolarHBondContact O-NE 3.23Å; I151-R191 HydrophobicContact CD1-CB 4.48Å; L187-R191 WeakPolarHBondContact O-CB 3.49Å; L187-R191 PolarHBondContact O-N 2.82Å; E188-R191 WeakPolarHBondContact O-CB 3.42Å; E188-R191 PolarHBondContact O-N 3.17Å; A189-R191 PolarHBondContact O-N 3.27Å; R191-S194 PolarHBondContact O-OG 2.96Å
192	A	75.6	Confident	65.5	Low	69 Å²	69	84.1 Å²	84.1	57%	0.57	49%	0.49	S	S	*	.	H	α-helix	trans	-69.4	-39.5	-179.5	0	0	0	0	0	112.7	E188 A189 S194 G195	E188-A192 WeakPolarHBondContact O-CB 3.4Å; E188-A192 PolarHBondContact O-N 2.99Å; A189-A192 PolarHBondContact O-N 3.38Å; A192-S194 VanDerWaalsContact C-N 3.28Å; A192-S194 PolarHBondContact O-N 2.95Å; A192-G195 PolarHBondContact O-N 2.89Å
193	D	68.3	Low	62.5	Low	110 Å²	110	86.1 Å²	86.1	59%	0.588	51%	0.505	S	S	*	.	H	α-helix	trans	-63.3	-35.6	-176.9	-136.7	25.6	0	0	0	112	A189 G195 Y196	A189-D193 WeakPolarHBondContact O-CB 3.22Å; A189-D193 PolarHBondContact O-N 3.44Å; D193-G195 PolarHBondContact O-N 2.83Å; D193-Y196 PolarHBondContact O-N 3.11Å
194	S	56.8	Low	59.3	Low	61 Å²	61	96.3 Å²	96.3	43%	0.427	54%	0.544	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-14.9	175.3	69.3	0	0	0	0	114.6	C147 R191 A192	C147-S194 WeakPolarHBondContact CB-OG 3.28Å; C147-S194 WeakPolarHBondContact SG-CB 3.42Å; R191-S194 PolarHBondContact O-OG 2.96Å; A192-S194 VanDerWaalsContact C-N 3.28Å; A192-S194 PolarHBondContact O-N 2.95Å
195	G	48.2	Very low	56.1	Low	63 Å²	63	105.4 Å²	105.4	65%	0.649	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.9	-14.8	179.3	0	0	0	0	0	115.2	A192 D193	A192-G195 PolarHBondContact O-N 2.89Å; D193-G195 PolarHBondContact O-N 2.83Å
196	Y	38.8	Very low	53	Low	218 Å²	218	104.8 Å²	104.8	86%	0.855	60%	0.599	S	S	*	*	S	Bend	trans	-102	4.2	-168.2	-132.6	-100.8	0	0	0	115.7	D193	D193-Y196 PolarHBondContact O-N 3.11Å
197	G	35.5	Very low	50	Low	61 Å²	61	109.3 Å²	109.3	63%	0.629	63%	0.631	S	S	*	*	S	Bend	trans	-100	102.3	172.8	0	0	0	0	0	113.6
198	S	36.5	Very low	47	Very low	117 Å²	117	117 Å²	117	82%	0.818	67%	0.671	S	S	*	*	S	Bend	trans	88	23.3	155.6	84.3	0	0	0	0	122.9
199	Q	33.1	Very low	44.1	Very low	196 Å²	196	119.1 Å²	119.1	92%	0.916	69%	0.689	S	S	*	*	S	Bend	trans	-122.8	12.7	160.6	-79.4	-83	8.9	0	0	114.1
200	G	33.6	Very low	41.3	Very low	68 Å²	68	121.4 Å²	121.4	70%	0.701	70%	0.702	S	S	*	*	S	Bend	trans	-96.2	-18.6	-176.2	0	0	0	0	0	117
201	E	31.9	Very low	38.7	Very low	189 Å²	189	128.4 Å²	128.4	88%	0.883	74%	0.74	S	S	*	*			trans	-130.2	33	-164.4	-66.8	-165.3	153.5	0	0	116.3
202	L	31.6	Very low	36.3	Very low	170 Å²	170	130.2 Å²	130.2	89%	0.89	76%	0.763	S	S	*	*			trans	-111.7	50.4	161	-71.3	169.4	0	0	0	111.5	R204	L202-R204 VanDerWaalsContact C-N 3.32Å; L202-R204 PolarHBondContact O-N 3.15Å
203	C	29.4	Very low	34.2	Very low	119 Å²	119	132 Å²	132	80%	0.804	77%	0.771	S	S	*	*			trans	-82.3	81.6	149.8	-72.5	0	0	0	0	109.1
204	R	25.9	Very low	32.4	Very low	230 Å²	230	134.2 Å²	134.2	87%	0.868	78%	0.782	S	S	*	*			trans	-127.2	91.8	157.7	-86	-172.1	160.7	140.9	-2	110	L202	L202-R204 VanDerWaalsContact C-N 3.32Å; L202-R204 PolarHBondContact O-N 3.15Å
205	H	23.3	Very low	31.1	Very low	192 Å²	192	141.2 Å²	141.2	89%	0.889	81%	0.805	S	S	*	*			trans	31.4	112.3	136.3	-67.7	-80.9	0	0	0	117.9
206	G	25	Very low	30.3	Very low	73 Å²	73	143.1 Å²	143.1	75%	0.753	81%	0.809	S	S	*	*			trans	-178.2	64.5	165.8	0	0	0	0	0	113.5
207	S	27.7	Very low	30.1	Very low	105 Å²	105	140.4 Å²	140.4	73%	0.734	81%	0.808	S	S	*	*			trans	27.3	115.8	146.4	-179.7	0	0	0	0	117.8
208	L	29.4	Very low	30.1	Very low	165 Å²	165	141.1 Å²	141.1	86%	0.864	81%	0.808	S	S	*	*				-166.2	115.5	104.9	-96.8	175.6	0	0	0	111.2
209	V	27.6	Very low	29.8	Very low	126 Å²	126	140.2 Å²	140.2	76%	0.764	80%	0.802	S	S	*	*			trans	-68.9	132	159.6	-179.9	0	0	0	0	107.4
210	S	27	Very low	29.8	Very low	98 Å²	98	134.4 Å²	134.4	69%	0.685	78%	0.783	S	S	*	*			trans	83.6	123.7	153.2	-62	0	0	0	0	121.1
211	L	26.8	Very low	29.9	Very low	162 Å²	162	135.7 Å²	135.7	85%	0.848	78%	0.781	S	S	*	*			trans	115.7	79.9	140.8	-66.5	135.9	0	0	0	115.4
212	T	30.6	Very low	30.1	Very low	143 Å²	143	130.2 Å²	130.2	88%	0.877	76%	0.764	S	S	*	*				-180	119.3	116	27.8	0	0	0	0	109.8	N214	T212-N214 PolarHBondContact O-N 2.89Å
213	S	32.1	Very low	30.3	Very low	107 Å²	107	128.9 Å²	128.9	75%	0.748	75%	0.751	S	S	*	*			trans	-61.9	116.5	164.1	45.8	0	0	0	0	109.7
214	N	29	Very low	30.9	Very low	155 Å²	155	131.1 Å²	131.1	83%	0.829	75%	0.747	S	S	*	*				-171.3	121.2	127.2	-89.3	-14.7	0	0	0	110.2	T212 S216	T212-N214 PolarHBondContact O-N 2.89Å; N214-S216 PolarHBondContact O-N 2.87Å
215	K	29.5	Very low	31.5	Very low	208 Å²	208	125.7 Å²	125.7	90%	0.904	73%	0.734	S	S	*	*			trans	-64.7	110	172.7	-69.6	170.7	176.8	175.7	0	109
216	S	32.2	Very low	32.2	Very low	103 Å²	103	120.2 Å²	120.2	72%	0.72	72%	0.717	S	S	*	*			trans	-126.8	94.7	152.7	50	0	0	0	0	108.6	N214 A218	N214-S216 PolarHBondContact O-N 2.87Å; S216-A218 PolarHBondContact O-N 2.88Å
217	L	34.5	Very low	33.1	Very low	162 Å²	162	125 Å²	125	85%	0.848	71%	0.712	S	S	*	*			trans	-67.2	60.7	170.6	-76.8	156	0	0	0	110.9
218	A	34.8	Very low	34.4	Very low	76 Å²	76	122.3 Å²	122.3	63%	0.628	69%	0.694	S	S	*	*			trans	-120.7	16.9	-175.9	0	0	0	0	0	114.7	S216	S216-A218 PolarHBondContact O-N 2.88Å
219	S	30.5	Very low	36	Very low	98 Å²	98	119 Å²	119	69%	0.685	68%	0.676	S	S	*	*	S	Bend	trans	-128.6	18.7	176.4	-45.3	0	0	0	0	114.3
220	S	33.9	Very low	37.7	Very low	74 Å²	74	117.8 Å²	117.8	52%	0.517	67%	0.665	S	S	.	*			trans	-88.9	4.1	172.2	50	0	0	0	0	114.2
221	S	35.3	Very low	39.4	Very low	95 Å²	95	115.6 Å²	115.6	66%	0.664	64%	0.644	S	S	*	*	S	Bend	trans	-83	-21	-179.8	57	0	0	0	0	114.6
222	S	36.4	Very low	41.3	Very low	74 Å²	74	113.5 Å²	113.5	52%	0.517	63%	0.629	S	S	.	*	H	α-helix	trans	-78.1	-26.2	177.1	77.1	0	0	0	0	113.3	K224 L225	S222-K224 VanDerWaalsContact C-N 3.28Å; S222-K224 PolarHBondContact O-N 2.89Å; S222-L225 PolarHBondContact O-N 3.43Å
223	F	35	Very low	43.3	Very low	142 Å²	142	110.4 Å²	110.4	62%	0.623	61%	0.606	S	S	*	*	H	α-helix	trans	-70.6	-20.8	178.4	-67.1	-78	0	0	0	113.6	R227	F223-R227 WeakPolarHBondContact O-CG 3.35Å
224	K	43.3	Very low	45	Very low	166 Å²	166	106.7 Å²	106.7	72%	0.722	58%	0.582	S	S	*	*	H	α-helix	trans	-77.5	-33.9	177.1	-70	-171.1	177.8	-177.1	0	112.7	S222 S228	S222-K224 VanDerWaalsContact C-N 3.28Å; S222-K224 PolarHBondContact O-N 2.89Å; K224-S228 PolarHBondContact O-N 3.27Å
225	L	38.2	Very low	47	Very low	115 Å²	115	102.1 Å²	102.1	60%	0.602	56%	0.555	S	S	*	*	H	α-helix	trans	-75.5	-34.7	179.5	-170	65.7	0	0	0	112.6	S222 R227 S228 L229	S222-L225 PolarHBondContact O-N 3.43Å; L225-R227 VanDerWaalsContact C-N 3.31Å; L225-R227 PolarHBondContact O-N 3.45Å; L225-S228 PolarHBondContact O-OG 3.35Å; L225-L229 HydrophobicContact CG-CD1 4.45Å; L225-L229 PolarHBondContact O-N 2.9Å
226	C	37.8	Very low	49.1	Very low	78 Å²	78	97.6 Å²	97.6	53%	0.527	54%	0.54	S	S	.	.	H	α-helix	trans	-67.5	-32.2	175.1	-69.9	0	0	0	0	112.3	L229 N230	C226-L229 PolarHBondContact O-N 2.85Å; C226-N230 PolarHBondContact O-N 2.86Å; C226-N230 VanDerWaalsContact O-N 3.16Å
227	R	44.5	Very low	51.2	Low	173 Å²	173	98 Å²	98	65%	0.653	53%	0.531	S	S	*	.	H	α-helix	trans	-68.3	-43	178.5	-75.5	178.9	175.4	-178.6	-1.5	112.4	F223 L225 L229 N230 E231	F223-R227 WeakPolarHBondContact O-CG 3.35Å; L225-R227 VanDerWaalsContact C-N 3.31Å; L225-R227 PolarHBondContact O-N 3.45Å; R227-L229 VanDerWaalsContact C-N 3.31Å; R227-L229 PolarHBondContact O-N 2.77Å; R227-N230 PolarHBondContact O-N 3.24Å; R227-E231 WeakPolarHBondContact O-CG 3.41Å; R227-E231 PolarHBondContact O-N 3.45Å
228	S	54.2	Low	52.8	Low	49 Å²	49	91.1 Å²	91.1	34%	0.343	50%	0.496	S	S	.	.	H	α-helix	trans	-68.1	-29.9	177.2	62.4	0	0	0	0	113.1	K224 L225 E231 K232	K224-S228 PolarHBondContact O-N 3.27Å; L225-S228 PolarHBondContact O-OG 3.35Å; S228-E231 WeakPolarHBondContact O-CB 3.5Å; S228-E231 PolarHBondContact O-N 2.95Å; S228-K232 WeakPolarHBondContact O-CG 3.48Å; S228-K232 PolarHBondContact O-N 2.94Å; S228-K232 VanDerWaalsContact O-N 3.11Å
229	L	63.3	Low	54.7	Low	94 Å²	94	92.6 Å²	92.6	49%	0.492	49%	0.486	S	S	.	.	H	α-helix	trans	-69.7	-46.2	174.7	-89.1	156.7	0	0	0	111.8	L225 C226 R227 E231 K232 I233	L225-L229 HydrophobicContact CG-CD1 4.45Å; L225-L229 PolarHBondContact O-N 2.9Å; C226-L229 PolarHBondContact O-N 2.85Å; R227-L229 VanDerWaalsContact C-N 3.31Å; R227-L229 PolarHBondContact O-N 2.77Å; L229-E231 PolarHBondContact O-N 3.12Å; L229-K232 PolarHBondContact O-N 3.09Å; L229-K232 VanDerWaalsContact O-N 3.13Å; L229-I233 VanDerWaalsContact O-CG1 3.29Å; L229-I233 WeakPolarHBondContact O-CG1 3.44Å; L229-I233 PolarHBondContact O-N 3.22Å
230	N	63.8	Low	57	Low	101 Å²	101	95.3 Å²	95.3	54%	0.54	48%	0.481	S	S	.	.	H	α-helix	trans	-60.2	-29.5	175.6	-71.4	-12.1	0	0	0	112.1	C226 R227 A234	C226-N230 PolarHBondContact O-N 2.86Å; C226-N230 VanDerWaalsContact O-N 3.16Å; R227-N230 PolarHBondContact O-N 3.24Å; N230-A234 PolarHBondContact O-N 3.39Å; N230-A234 VanDerWaalsContact O-N 3.11Å
231	E	61.2	Low	58.8	Low	52 Å²	52	94 Å²	94	24%	0.243	47%	0.468	C	S	.	.	H	α-helix	trans	-68.1	-49	173.7	-70.5	161	-167.1	0	0	111.7	K148 R227 S228 L229 I233 A234 E235	K148-E231 HydrophobicContact CD-CG 3.56Å; K148-E231 IonicContact NZ-OE1 3.97Å; K148-E231 PolarHBondContact NZ-OE1 3.17Å; R227-E231 WeakPolarHBondContact O-CG 3.41Å; R227-E231 PolarHBondContact O-N 3.45Å; S228-E231 WeakPolarHBondContact O-CB 3.5Å; S228-E231 PolarHBondContact O-N 2.95Å; L229-E231 PolarHBondContact O-N 3.12Å; E231-I233 VanDerWaalsContact C-N 3.25Å; E231-I233 PolarHBondContact O-N 2.84Å; E231-A234 PolarHBondContact O-N 3.44Å; E231-E235 PolarHBondContact O-N 3.19Å
232	K	67.6	Low	60.8	Low	119 Å²	119	91.1 Å²	91.1	52%	0.517	45%	0.445	S	S	.	.	H	α-helix	trans	-64.8	-32.6	177.6	-73.7	-72.8	166.4	-160.4	0	112	S228 L229 E235 L236	S228-K232 WeakPolarHBondContact O-CG 3.48Å; S228-K232 PolarHBondContact O-N 2.94Å; S228-K232 VanDerWaalsContact O-N 3.11Å; L229-K232 PolarHBondContact O-N 3.09Å; L229-K232 VanDerWaalsContact O-N 3.13Å; K232-E235 IonicContact NZ-OE1 3.45Å; K232-E235 IonicContact NZ-OE2 3.31Å; K232-E235 PolarHBondContact NZ-OE2 2.77Å; K232-L236 VanDerWaalsContact O-CB 3.3Å; K232-L236 WeakPolarHBondContact O-CB 3.4Å; K232-L236 WeakPolarHBondContact O-CD1 3.34Å; K232-L236 WeakPolarHBondContact O-CG 3.3Å; K232-L236 PolarHBondContact O-N 2.86Å
233	I	72.4	Confident	62.8	Low	78 Å²	78	91.5 Å²	91.5	40%	0.4	44%	0.444	S	S	.	.	H	α-helix	trans	-64.8	-50.3	173.5	-69.6	165.9	0	0	0	110.3	L229 E231 E235 L236 E237	L229-I233 VanDerWaalsContact O-CG1 3.29Å; L229-I233 WeakPolarHBondContact O-CG1 3.44Å; L229-I233 PolarHBondContact O-N 3.22Å; E231-I233 VanDerWaalsContact C-N 3.25Å; E231-I233 PolarHBondContact O-N 2.84Å; I233-E235 VanDerWaalsContact C-N 3.29Å; I233-E235 PolarHBondContact O-N 2.95Å; I233-L236 CarbonylContact O-C 3.5Å; I233-L236 PolarHBondContact O-N 2.85Å; I233-L236 VanDerWaalsContact O-N 3.14Å; I233-E237 HydrophobicContact CG2-CG 4.36Å; I233-E237 WeakPolarHBondContact CG2-OE1 3.37Å; I233-E237 VanDerWaalsContact O-CG 3.31Å; I233-E237 WeakPolarHBondContact O-CG 3.41Å; I233-E237 PolarHBondContact O-N 3.36Å
234	A	68.2	Low	65	Low	29 Å²	29	88.1 Å²	88.1	24%	0.24	43%	0.432	C	S	.	.	H	α-helix	trans	-60	-38.9	177.6	0	0	0	0	0	112.5	N230 E231 E237 T238	N230-A234 PolarHBondContact O-N 3.39Å; N230-A234 VanDerWaalsContact O-N 3.11Å; E231-A234 PolarHBondContact O-N 3.44Å; A234-E237 PolarHBondContact O-N 3.43Å; A234-T238 WeakPolarHBondContact O-CG2 3.28Å; A234-T238 PolarHBondContact O-N 3.25Å; A234-T238 VanDerWaalsContact O-N 3.08Å
235	E	71.4	Confident	66.5	Low	59 Å²	59	85.6 Å²	85.6	28%	0.276	42%	0.418	S	S	.	.	H	α-helix	trans	-64.3	-46.4	174.4	-158.8	-168.1	160.1	0	0	111.3	E231 K232 I233 E237 T238 Y239	E231-E235 PolarHBondContact O-N 3.19Å; K232-E235 IonicContact NZ-OE1 3.45Å; K232-E235 IonicContact NZ-OE2 3.31Å; K232-E235 PolarHBondContact NZ-OE2 2.77Å; I233-E235 VanDerWaalsContact C-N 3.29Å; I233-E235 PolarHBondContact O-N 2.95Å; E235-E237 VanDerWaalsContact C-N 3.3Å; E235-E237 PolarHBondContact O-N 3.4Å; E235-T238 PolarHBondContact O-N 2.96Å; E235-T238 VanDerWaalsContact O-N 3.16Å; E235-T238 PolarHBondContact O-OG1 3.37Å; E235-Y239 HydrophobicContact CB-CE2 4.49Å; E235-Y239 HydrophobicContact CG-CD2 4.26Å; E235-Y239 HydrophobicContact CG-CE2 3.51Å; E235-Y239 VanDerWaalsContact O-CD2 3.3Å; E235-Y239 WeakPolarHBondContact O-CD2 3.4Å; E235-Y239 PolarHBondContact O-N 3.28Å; E235-Y239 VanDerWaalsContact OE1-CE2 3.27Å; E235-Y239 WeakPolarHBondContact OE1-CE2 3.23Å; E235-Y239 PolarHBondContact OE1-OH 3.47Å
236	L	73.5	Confident	68.2	Low	113 Å²	113	84.2 Å²	84.2	59%	0.592	41%	0.408	S	S	*	.	H	α-helix	trans	-64	-33.7	176.6	-73.6	169.9	0	0	0	112.7	K232 I233 Y239 R240	K232-L236 VanDerWaalsContact O-CB 3.3Å; K232-L236 WeakPolarHBondContact O-CB 3.4Å; K232-L236 WeakPolarHBondContact O-CD1 3.34Å; K232-L236 WeakPolarHBondContact O-CG 3.3Å; K232-L236 PolarHBondContact O-N 2.86Å; I233-L236 CarbonylContact O-C 3.5Å; I233-L236 PolarHBondContact O-N 2.85Å; I233-L236 VanDerWaalsContact O-N 3.14Å; L236-Y239 PolarHBondContact O-N 3.14Å; L236-R240 VanDerWaalsContact O-CB 3.24Å; L236-R240 WeakPolarHBondContact O-CB 3.32Å; L236-R240 PolarHBondContact O-N 3.29Å
237	E	75.2	Confident	70.2	Confident	110 Å²	110	84.1 Å²	84.1	51%	0.514	41%	0.405	S	S	.	.	H	α-helix	trans	-62.8	-45.5	172.2	-74.1	167.9	171.5	0	0	110.5	I233 A234 E235 Y239 R240 D241	I233-E237 HydrophobicContact CG2-CG 4.36Å; I233-E237 WeakPolarHBondContact CG2-OE1 3.37Å; I233-E237 VanDerWaalsContact O-CG 3.31Å; I233-E237 WeakPolarHBondContact O-CG 3.41Å; I233-E237 PolarHBondContact O-N 3.36Å; A234-E237 PolarHBondContact O-N 3.43Å; E235-E237 VanDerWaalsContact C-N 3.3Å; E235-E237 PolarHBondContact O-N 3.4Å; E237-Y239 PolarHBondContact O-N 3.34Å; E237-R240 WeakPolarHBondContact O-CB 3.42Å; E237-R240 PolarHBondContact O-N 2.9Å; E237-D241 VanDerWaalsContact O-CG 3.31Å; E237-D241 PolarHBondContact O-N 3Å
238	T	69.1	Low	71.9	Confident	19 Å²	19	80.8 Å²	80.8	12%	0.117	40%	0.4	C	S	.	.	H	α-helix	trans	-62.3	-43	175.4	62	0	0	0	0	112.8	T126 A234 E235 D241 I242	T126-T238 HydrophobicContact CG2-CG2 4.3Å; A234-T238 WeakPolarHBondContact O-CG2 3.28Å; A234-T238 PolarHBondContact O-N 3.25Å; A234-T238 VanDerWaalsContact O-N 3.08Å; E235-T238 PolarHBondContact O-N 2.96Å; E235-T238 VanDerWaalsContact O-N 3.16Å; E235-T238 PolarHBondContact O-OG1 3.37Å; T238-D241 PolarHBondContact O-N 2.93Å; T238-I242 WeakPolarHBondContact O-CD1 3.15Å; T238-I242 VanDerWaalsContact O-CG1 3.27Å; T238-I242 WeakPolarHBondContact O-CG1 3.41Å; T238-I242 PolarHBondContact O-N 2.83Å
239	Y	75.3	Confident	73	Confident	107 Å²	107	82 Å²	82	42%	0.42	41%	0.406	S	S	.	.	H	α-helix	trans	-65.5	-39.7	176.5	-65.4	-43.7	0	0	0	112.4	E235 L236 E237 D241 I242 V243	E235-Y239 HydrophobicContact CB-CE2 4.49Å; E235-Y239 HydrophobicContact CG-CD2 4.26Å; E235-Y239 HydrophobicContact CG-CE2 3.51Å; E235-Y239 VanDerWaalsContact O-CD2 3.3Å; E235-Y239 WeakPolarHBondContact O-CD2 3.4Å; E235-Y239 PolarHBondContact O-N 3.28Å; E235-Y239 VanDerWaalsContact OE1-CE2 3.27Å; E235-Y239 WeakPolarHBondContact OE1-CE2 3.23Å; E235-Y239 PolarHBondContact OE1-OH 3.47Å; L236-Y239 PolarHBondContact O-N 3.14Å; E237-Y239 PolarHBondContact O-N 3.34Å; Y239-D241 VanDerWaalsContact C-N 3.33Å; Y239-D241 PolarHBondContact O-N 2.88Å; Y239-I242 HydrophobicContact CD1-CD1 4.34Å; Y239-I242 PolarHBondContact O-N 3.43Å; Y239-V243 WeakPolarHBondContact O-CG2 3.43Å; Y239-V243 PolarHBondContact O-N 2.68Å
240	R	77.3	Confident	73.6	Confident	155 Å²	155	82.2 Å²	82.2	59%	0.585	41%	0.407	S	S	*	.	H	α-helix	trans	-58.7	-46.6	175	176.4	-175.8	172.7	-80.8	-0.4	110.8	L236 E237 I242 V243 L244	L236-R240 VanDerWaalsContact O-CB 3.24Å; L236-R240 WeakPolarHBondContact O-CB 3.32Å; L236-R240 PolarHBondContact O-N 3.29Å; E237-R240 WeakPolarHBondContact O-CB 3.42Å; E237-R240 PolarHBondContact O-N 2.9Å; R240-I242 VanDerWaalsContact C-N 3.34Å; R240-I242 PolarHBondContact O-N 3.4Å; R240-V243 PolarHBondContact O-N 3.11Å; R240-L244 HydrophobicContact CG-CD1 4.11Å; R240-L244 WeakPolarHBondContact O-CG 3.47Å; R240-L244 PolarHBondContact O-N 2.97Å
241	D	72.1	Confident	74.4	Confident	47 Å²	47	82 Å²	82	25%	0.251	40%	0.403	S	S	.	.	H	α-helix	trans	-67.5	-35.2	-179	-67.5	-10.5	0	0	0	112.2	E237 T238 Y239 R245	E237-D241 VanDerWaalsContact O-CG 3.31Å; E237-D241 PolarHBondContact O-N 3Å; T238-D241 PolarHBondContact O-N 2.93Å; Y239-D241 VanDerWaalsContact C-N 3.33Å; Y239-D241 PolarHBondContact O-N 2.88Å; D241-R245 WeakPolarHBondContact O-CG 3.33Å; D241-R245 PolarHBondContact O-N 3.09Å; D241-R245 VanDerWaalsContact O-N 3.14Å
242	I	77.7	Confident	75.1	Confident	34 Å²	34	82.2 Å²	82.2	17%	0.174	41%	0.413	C	S	.	.	H	α-helix	trans	-61.9	-47.9	172	-67.4	159.3	0	0	0	110.6	C140 T238 Y239 R240 R245 Q246	C140-I242 WeakPolarHBondContact SG-CD1 3.31Å; T238-I242 WeakPolarHBondContact O-CD1 3.15Å; T238-I242 VanDerWaalsContact O-CG1 3.27Å; T238-I242 WeakPolarHBondContact O-CG1 3.41Å; T238-I242 PolarHBondContact O-N 2.83Å; Y239-I242 HydrophobicContact CD1-CD1 4.34Å; Y239-I242 PolarHBondContact O-N 3.43Å; R240-I242 VanDerWaalsContact C-N 3.34Å; R240-I242 PolarHBondContact O-N 3.4Å; I242-R245 PolarHBondContact O-N 3.48Å; I242-Q246 PolarHBondContact O-N 3.22Å; I242-Q246 VanDerWaalsContact O-N 3.09Å
243	V	77.1	Confident	75.5	Confident	81 Å²	81	83 Å²	83	49%	0.491	41%	0.414	S	S	.	.	H	α-helix	trans	-64.1	-41.8	-179.6	171.6	0	0	0	0	111.2	Y239 R240 R245 Q246 V247	Y239-V243 WeakPolarHBondContact O-CG2 3.43Å; Y239-V243 PolarHBondContact O-N 2.68Å; R240-V243 PolarHBondContact O-N 3.11Å; V243-R245 PolarHBondContact O-N 3.11Å; V243-Q246 PolarHBondContact O-N 3.33Å; V243-V247 WeakPolarHBondContact O-CG2 3.32Å; V243-V247 PolarHBondContact O-N 2.9Å
244	L	81.7	Confident	75.6	Confident	72 Å²	72	85 Å²	85	38%	0.377	42%	0.42	S	S	.	.	H	α-helix	trans	-60.3	-44.2	176.9	-73.2	173.1	0	0	0	111.8	R240 Q246 V247 D248	R240-L244 HydrophobicContact CG-CD1 4.11Å; R240-L244 WeakPolarHBondContact O-CG 3.47Å; R240-L244 PolarHBondContact O-N 2.97Å; L244-Q246 VanDerWaalsContact C-N 3.33Å; L244-Q246 PolarHBondContact O-N 3.03Å; L244-V247 WeakPolarHBondContact O-CA 3.42Å; L244-V247 WeakPolarHBondContact O-CB 3.4Å; L244-V247 PolarHBondContact O-N 3Å; L244-V247 VanDerWaalsContact O-N 3.11Å; L244-D248 PolarHBondContact O-N 3.42Å
245	R	74.4	Confident	76.2	Confident	112 Å²	112	87.9 Å²	87.9	42%	0.423	43%	0.431	S	S	.	.	H	α-helix	trans	-61.8	-39.6	175.2	-71	-175.1	-164.6	104.2	0.2	112.8	D241 I242 V243 V247 D248 V249	D241-R245 WeakPolarHBondContact O-CG 3.33Å; D241-R245 PolarHBondContact O-N 3.09Å; D241-R245 VanDerWaalsContact O-N 3.14Å; I242-R245 PolarHBondContact O-N 3.48Å; V243-R245 PolarHBondContact O-N 3.11Å; R245-V247 VanDerWaalsContact C-N 3.27Å; R245-V247 PolarHBondContact O-N 3.08Å; R245-D248 PolarHBondContact O-N 3.13Å; R245-V249 WeakPolarHBondContact O-CG2 3.37Å; R245-V249 PolarHBondContact O-N 3Å
246	Q	75.5	Confident	76.6	Confident	86 Å²	86	91.4 Å²	91.4	40%	0.402	45%	0.448	S	S	.	.	H	α-helix	trans	-64	-35.5	175.8	-73.2	-179	-21.5	0	0	111.9	I242 V243 L244 L250	I242-Q246 PolarHBondContact O-N 3.22Å; I242-Q246 VanDerWaalsContact O-N 3.09Å; V243-Q246 PolarHBondContact O-N 3.33Å; L244-Q246 VanDerWaalsContact C-N 3.33Å; L244-Q246 PolarHBondContact O-N 3.03Å; Q246-L250 WeakPolarHBondContact O-CB 3.34Å; Q246-L250 WeakPolarHBondContact O-CG 3.45Å; Q246-L250 PolarHBondContact O-N 2.87Å
247	V	78	Confident	76.8	Confident	76 Å²	76	90.2 Å²	90.2	46%	0.461	44%	0.441	S	S	.	.	H	α-helix	trans	-64.4	-43	172.2	172.3	0	0	0	0	110.7	V243 L244 R245 L250 Q251	V243-V247 WeakPolarHBondContact O-CG2 3.32Å; V243-V247 PolarHBondContact O-N 2.9Å; L244-V247 WeakPolarHBondContact O-CA 3.42Å; L244-V247 WeakPolarHBondContact O-CB 3.4Å; L244-V247 PolarHBondContact O-N 3Å; L244-V247 VanDerWaalsContact O-N 3.11Å; R245-V247 VanDerWaalsContact C-N 3.27Å; R245-V247 PolarHBondContact O-N 3.08Å; V247-L250 PolarHBondContact O-N 3.32Å; V247-Q251 WeakPolarHBondContact O-CB 3.3Å; V247-Q251 PolarHBondContact O-N 2.97Å
248	D	80.8	Confident	76.6	Confident	103 Å²	103	88.4 Å²	88.4	55%	0.551	45%	0.445	S	S	*	.	H	α-helix	trans	-64.1	-41	177.5	-62.8	-31.3	0	0	0	112.2	L244 R245 Q251 A252	L244-D248 PolarHBondContact O-N 3.42Å; R245-D248 PolarHBondContact O-N 3.13Å; D248-Q251 PolarHBondContact O-N 3.4Å; D248-A252 WeakPolarHBondContact O-CB 3.29Å; D248-A252 PolarHBondContact O-N 3.4Å
249	V	77.7	Confident	75.8	Confident	76 Å²	76	90.5 Å²	90.5	46%	0.461	47%	0.471	S	S	.	.	H	α-helix	trans	-62.3	-44.3	174.4	172.1	0	0	0	0	111	R245 A252 Y253	R245-V249 WeakPolarHBondContact O-CG2 3.37Å; R245-V249 PolarHBondContact O-N 3Å; V249-A252 PolarHBondContact O-N 2.92Å; V249-Y253 PolarHBondContact O-N 3.25Å
250	L	76.2	Confident	74.5	Confident	97 Å²	97	91.8 Å²	91.8	51%	0.508	48%	0.481	S	S	.	.	H	α-helix	trans	-63.5	-42.8	175.3	-81.2	164.2	0	0	0	111.6	Q246 V247 Y253 F254	Q246-L250 WeakPolarHBondContact O-CB 3.34Å; Q246-L250 WeakPolarHBondContact O-CG 3.45Å; Q246-L250 PolarHBondContact O-N 2.87Å; V247-L250 PolarHBondContact O-N 3.32Å; L250-Y253 WeakPolarHBondContact O-CB 3.47Å; L250-Y253 PolarHBondContact O-N 3.48Å; L250-F254 WeakPolarHBondContact O-CD2 3.49Å; L250-F254 PolarHBondContact O-N 2.96Å
251	Q	79.6	Confident	72.6	Confident	98 Å²	98	88.5 Å²	88.5	46%	0.458	48%	0.481	S	S	.	.	H	α-helix	trans	-62.5	-45.3	177.3	-172.7	64	53.1	0	0	110.6	V247 D248 Y253 F254 D255	V247-Q251 WeakPolarHBondContact O-CB 3.3Å; V247-Q251 PolarHBondContact O-N 2.97Å; D248-Q251 PolarHBondContact O-N 3.4Å; Q251-Y253 VanDerWaalsContact C-N 3.3Å; Q251-Y253 PolarHBondContact O-N 3.38Å; Q251-F254 CarbonylContact O-C 3.6Å; Q251-F254 PolarHBondContact O-N 3.38Å; Q251-F254 VanDerWaalsContact O-N 3.13Å; Q251-D255 PolarHBondContact NE2-OD1 3.41Å; Q251-D255 WeakPolarHBondContact O-CB 3.42Å; Q251-D255 PolarHBondContact O-N 3.46Å
252	A	76.7	Confident	71.4	Confident	56 Å²	56	91.6 Å²	91.6	46%	0.463	50%	0.504	S	S	.	.	H	α-helix	trans	-60	-39.5	175.5	0	0	0	0	0	112.3	D248 V249 D255 Q256	D248-A252 WeakPolarHBondContact O-CB 3.29Å; D248-A252 PolarHBondContact O-N 3.4Å; V249-A252 PolarHBondContact O-N 2.92Å; A252-D255 PolarHBondContact O-N 2.68Å; A252-Q256 WeakPolarHBondContact O-CB 3.22Å; A252-Q256 PolarHBondContact O-N 3.24Å
253	Y	75.3	Confident	69.4	Low	136 Å²	136	97.9 Å²	97.9	53%	0.533	53%	0.532	S	S	.	.	H	α-helix	trans	-62.7	-44.6	173.4	178.3	-97.8	0	0	0	112	V249 L250 Q251 Q256 L257	V249-Y253 PolarHBondContact O-N 3.25Å; L250-Y253 WeakPolarHBondContact O-CB 3.47Å; L250-Y253 PolarHBondContact O-N 3.48Å; Q251-Y253 VanDerWaalsContact C-N 3.3Å; Q251-Y253 PolarHBondContact O-N 3.38Å; Y253-Q256 PolarHBondContact O-N 3.46Å; Y253-L257 HydrophobicContact CD1-CD1 3.91Å; Y253-L257 HydrophobicContact CE1-CD1 3.42Å; Y253-L257 VanDerWaalsContact CE1-CD1 3.42Å; Y253-L257 HydrophobicContact CE1-CG 4.31Å; Y253-L257 WeakPolarHBondContact O-CG 3.38Å; Y253-L257 PolarHBondContact O-N 3.48Å
254	F	75.2	Confident	67.5	Low	120 Å²	120	101.3 Å²	101.3	53%	0.526	55%	0.548	S	S	.	.	H	α-helix	trans	-68.6	-35.9	176	-74.3	-62.4	0	0	0	113	L250 Q251 Q256 L257 A258	L250-F254 WeakPolarHBondContact O-CD2 3.49Å; L250-F254 PolarHBondContact O-N 2.96Å; Q251-F254 CarbonylContact O-C 3.6Å; Q251-F254 PolarHBondContact O-N 3.38Å; Q251-F254 VanDerWaalsContact O-N 3.13Å; F254-Q256 VanDerWaalsContact C-N 3.34Å; F254-L257 HydrophobicContact CD1-CD1 4.24Å; F254-L257 CarbonylContact O-C 3.52Å; F254-L257 WeakPolarHBondContact O-CB 3.2Å; F254-L257 PolarHBondContact O-N 2.51Å; F254-A258 WeakPolarHBondContact O-CB 3.3Å; F254-A258 PolarHBondContact O-N 2.79Å
255	D	81.4	Confident	65.4	Low	88 Å²	88	103.5 Å²	103.5	47%	0.471	56%	0.564	S	S	.	*	H	α-helix	trans	-68.6	-35.4	175.9	-70.2	-12.1	0	0	0	110.9	Q251 A252 A258 G259	Q251-D255 PolarHBondContact NE2-OD1 3.41Å; Q251-D255 WeakPolarHBondContact O-CB 3.42Å; Q251-D255 PolarHBondContact O-N 3.46Å; A252-D255 PolarHBondContact O-N 2.68Å; D255-A258 CarbonylContact O-C 3.48Å; D255-A258 PolarHBondContact O-N 3.44Å; D255-G259 WeakPolarHBondContact O-CA 3.34Å; D255-G259 PolarHBondContact O-N 3.34Å
256	Q	79.7	Confident	63.3	Low	134 Å²	134	103.4 Å²	103.4	63%	0.626	57%	0.57	S	S	*	*	H	α-helix	trans	-64	-43.4	171.4	-174.4	178.3	-5.9	0	0	111.1	A252 Y253 F254 A258 G259 E260	A252-Q256 WeakPolarHBondContact O-CB 3.22Å; A252-Q256 PolarHBondContact O-N 3.24Å; Y253-Q256 PolarHBondContact O-N 3.46Å; F254-Q256 VanDerWaalsContact C-N 3.34Å; Q256-A258 VanDerWaalsContact C-N 3.28Å; Q256-A258 PolarHBondContact O-N 3.48Å; Q256-G259 PolarHBondContact O-N 3.35Å; Q256-E260 PolarHBondContact O-N 2.93Å
257	L	77.7	Confident	61.6	Low	88 Å²	88	102.6 Å²	102.6	46%	0.461	57%	0.571	S	S	.	*	H	α-helix	trans	-64.3	-31.8	173.4	-70	173.3	0	0	0	112.7	Y253 F254	Y253-L257 HydrophobicContact CD1-CD1 3.91Å; Y253-L257 HydrophobicContact CE1-CD1 3.42Å; Y253-L257 VanDerWaalsContact CE1-CD1 3.42Å; Y253-L257 HydrophobicContact CE1-CG 4.31Å; Y253-L257 WeakPolarHBondContact O-CG 3.38Å; Y253-L257 PolarHBondContact O-N 3.48Å; F254-L257 HydrophobicContact CD1-CD1 4.24Å; F254-L257 CarbonylContact O-C 3.52Å; F254-L257 WeakPolarHBondContact O-CB 3.2Å; F254-L257 PolarHBondContact O-N 2.51Å
258	A	70.2	Confident	59.7	Low	72 Å²	72	103.5 Å²	103.5	60%	0.595	59%	0.587	S	S	*	*	H	α-helix	trans	-83.9	-29.6	178.5	0	0	0	0	0	113.4	F254 D255 Q256 E260	F254-A258 WeakPolarHBondContact O-CB 3.3Å; F254-A258 PolarHBondContact O-N 2.79Å; D255-A258 CarbonylContact O-C 3.48Å; D255-A258 PolarHBondContact O-N 3.44Å; Q256-A258 VanDerWaalsContact C-N 3.28Å; Q256-A258 PolarHBondContact O-N 3.48Å; A258-E260 VanDerWaalsContact C-N 3.33Å
259	G	52.2	Low	57.7	Low	63 Å²	63	109 Å²	109	65%	0.649	60%	0.6	S	S	*	*	H	α-helix	trans	-76.9	-17.5	179.7	0	0	0	0	0	113.5	D255 Q256 S261	D255-G259 WeakPolarHBondContact O-CA 3.34Å; D255-G259 PolarHBondContact O-N 3.34Å; Q256-G259 PolarHBondContact O-N 3.35Å; G259-S261 VanDerWaalsContact C-N 3.33Å; G259-S261 PolarHBondContact O-N 2.74Å
260	E	48.1	Very low	55.7	Low	134 Å²	134	107.6 Å²	107.6	63%	0.626	60%	0.597	S	S	*	*	S	Bend	trans	-62.9	98.3	159.3	-72.8	-171.9	178.6	0	0	108.5	Q256 A258	Q256-E260 PolarHBondContact O-N 2.93Å; A258-E260 VanDerWaalsContact C-N 3.33Å
261	S	38.1	Very low	53.8	Low	86 Å²	86	111.4 Å²	111.4	60%	0.601	61%	0.605	S	S	*	*			trans	-39.1	132	-172	64.8	0	0	0	0	113	G259 H263	G259-S261 VanDerWaalsContact C-N 3.33Å; G259-S261 PolarHBondContact O-N 2.74Å; S261-H263 PolarHBondContact O-N 2.69Å
262	P	45.8	Very low	51.5	Low	112 Å²	112	114.6 Å²	114.6	73%	0.727	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	22.8	-168.3	29.9	-35.1	0	0	0	114.1	N264	P262-N264 PolarHBondContact O-N 3.46Å
263	H	35.1	Very low	49.4	Very low	166 Å²	166	117.8 Å²	117.8	77%	0.769	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-9.9	172.9	-91.5	-56.1	0	0	0	114.1	S261	S261-H263 PolarHBondContact O-N 2.69Å
264	N	39.1	Very low	47	Very low	153 Å²	153	117.4 Å²	117.4	82%	0.818	65%	0.651	S	S	*	*	S	Bend	trans	-138.2	22.1	-179.9	-86.5	-29.3	0	0	0	116.4	P262	P262-N264 PolarHBondContact O-N 3.46Å
265	V	36.9	Very low	44.7	Very low	117 Å²	117	122.9 Å²	122.9	71%	0.709	67%	0.668	S	S	*	*			trans	-144.8	71.7	165.9	-162.3	0	0	0	0	111
266	M	30.5	Very low	42	Very low	111 Å²	111	122 Å²	122	55%	0.547	68%	0.68	S	S	.	*			trans	-100.7	112	154	-150.8	176.8	153.5	0	0	106.2	A270	M266-A270 HydrophobicContact CE-CB 3.98Å
267	P	39.1	Very low	39.5	Very low	68 Å²	68	122.4 Å²	122.4	44%	0.442	69%	0.686	S	S	.	*			trans	-58.7	142.3	-172.7	-22.2	31.3	0	0	0	111.7	W269 A270	P267-W269 PolarHBondContact O-N 3.2Å; P267-A270 PolarHBondContact O-N 3.48Å
268	A	37.4	Very low	37	Very low	96 Å²	96	124 Å²	124	79%	0.793	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-55.3	-20.9	-172.2	0	0	0	0	0	115	A270	A268-A270 VanDerWaalsContact C-N 3.31Å; A268-A270 PolarHBondContact O-N 3.3Å
269	W	40.2	Very low	34.8	Very low	217 Å²	217	127.1 Å²	127.1	82%	0.822	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-77.3	-13.4	179.1	74.1	-94.2	0	0	0	113.9	P267	P267-W269 PolarHBondContact O-N 3.2Å
270	A	35.7	Very low	33.8	Very low	48 Å²	48	131.3 Å²	131.3	40%	0.397	71%	0.707	S	S	.	*	G	3₁₀ helix	trans	-91.5	-3.6	-179.6	0	0	0	0	0	114.6	M266 P267 A268	M266-A270 HydrophobicContact CE-CB 3.98Å; P267-A270 PolarHBondContact O-N 3.48Å; A268-A270 VanDerWaalsContact C-N 3.31Å; A268-A270 PolarHBondContact O-N 3.3Å
271	R	36.8	Very low	32.7	Very low	177 Å²	177	132 Å²	132	67%	0.668	72%	0.715	S	S	*	*	S	Bend	trans	-95	-4.3	-173.9	-75	-167.8	-166	176.3	6.6	116.4
272	Q	30.9	Very low	32.5	Very low	164 Å²	164	134.2 Å²	134.2	77%	0.766	73%	0.725	S	S	*	*	S	Bend	trans	-151.8	103.3	176	-62.5	177.2	-6.7	0	0	104.6
273	T	31.3	Very low	31.6	Very low	124 Å²	124	135.2 Å²	135.2	76%	0.761	72%	0.724	S	S	*	*				-165.3	94.8	79.7	41.8	0	0	0	0	110.8	R275	T273-R275 VanDerWaalsContact C-N 3.33Å; T273-R275 PolarHBondContact O-N 3.3Å
274	S	26.1	Very low	31.2	Very low	127 Å²	127	135.2 Å²	135.2	89%	0.888	72%	0.724	S	S	*	*			trans	-76.2	90.9	146.8	-60.2	0	0	0	0	107.7
275	R	26.6	Very low	30.8	Very low	236 Å²	236	134.7 Å²	134.7	89%	0.891	73%	0.726	S	S	*	*			trans	169.8	102.4	169.1	-101.9	171.2	171.2	-168.3	-3.4	103.8	T273	T273-R275 VanDerWaalsContact C-N 3.33Å; T273-R275 PolarHBondContact O-N 3.3Å
276	G	25.7	Very low	30.2	Very low	70 Å²	70	136 Å²	136	72%	0.722	73%	0.729	S	S	*	*			cis	127.5	130.8	49	0	0	0	0	0	104.9
277	D	26.1	Very low	30.2	Very low	142 Å²	142	135.4 Å²	135.4	76%	0.759	74%	0.736	S	S	*	*			trans	71.7	106.1	159.6	-74.6	-2.3	0	0	0	120.3
278	N	25.4	Very low	29.7	Very low	121 Å²	121	137.8 Å²	137.8	65%	0.647	75%	0.745	S	S	*	*				87.6	112.8	116.3	-64.1	-29.9	0	0	0	118.9
279	I	23.9	Very low	29.3	Very low	138 Å²	138	143 Å²	143	71%	0.708	74%	0.744	S	S	*	*				70.3	112	126.7	-65.3	169.2	0	0	0	114.3
280	L	31.7	Very low	28.6	Very low	151 Å²	151	138 Å²	138	79%	0.791	74%	0.738	S	S	*	*				-163.5	101.7	108.9	-89.4	175.7	0	0	0	108.2
281	D	24.5	Very low	28.2	Very low	148 Å²	148	145.8 Å²	145.8	79%	0.791	76%	0.763	S	S	*	*			trans	-58	131.1	149.9	-69.8	-51.3	0	0	0	108.3
282	V	33.3	Very low	27.7	Very low	133 Å²	133	144.2 Å²	144.2	81%	0.806	77%	0.767	S	S	*	*			trans	-134.7	107.9	154.7	179	0	0	0	0	107.3
283	D	28	Very low	27.5	Very low	133 Å²	133	141.6 Å²	141.6	71%	0.711	77%	0.767	S	S	*	*			trans	-54.8	150.9	172.4	-71	-59.7	0	0	0	114.4
284	E	25.8	Very low	27.1	Very low	166 Å²	166	141.4 Å²	141.4	78%	0.776	77%	0.765	S	S	*	*				55.9	111.3	127.3	-158.5	177.3	-149.4	0	0	119.2
285	V	31.2	Very low	27.1	Very low	142 Å²	142	140.1 Å²	140.1	86%	0.861	76%	0.756	S	S	*	*			trans	-134.2	89.1	139.4	-80.9	0	0	0	0	108.9
286	D	23.4	Very low	27	Very low	144 Å²	144	137.7 Å²	137.7	77%	0.77	76%	0.757	S	S	*	*			trans	-73.3	128.7	153.9	-153.1	-3.8	0	0	0	107.3
287	S	32.1	Very low	26.8	Very low	98 Å²	98	137.7 Å²	137.7	69%	0.685	76%	0.757	S	S	*	*			trans	-146.8	100	174.5	-80.9	0	0	0	0	110.5
288	D	28	Very low	26.9	Very low	119 Å²	119	136.7 Å²	136.7	64%	0.636	76%	0.761	S	S	*	*			trans	76.1	107.1	130.1	-86.8	-17	0	0	0	119.2
289	R	29.7	Very low	26.8	Very low	204 Å²	204	143.2 Å²	143.2	77%	0.77	78%	0.777	S	S	*	*				104.8	94	111.4	-78.3	170.1	-172.5	-159.5	-4.6	119.4
290	T	24.5	Very low	26.9	Very low	114 Å²	114	139.7 Å²	139.7	70%	0.699	78%	0.775	S	S	*	*				30	112.3	115.2	10.4	0	0	0	0	118.4
291	F	28.1	Very low	26.5	Very low	210 Å²	210	139.4 Å²	139.4	92%	0.921	78%	0.779	S	S	*	*				-147.4	79.6	126.2	-95.2	-78	0	0	0	109.2
292	I	26.3	Very low	26.5	Very low	145 Å²	145	137.8 Å²	137.8	74%	0.744	78%	0.777	S	S	*	*			trans	-115.1	98.5	154.5	-62.5	178.8	0	0	0	105.5	T294	I292-T294 WeakPolarHBondContact CG2-OG1 3.49Å
293	S	25.5	Very low	25.9	Very low	109 Å²	109	140.2 Å²	140.2	76%	0.762	78%	0.777	S	S	*	*			trans	-91.7	94.5	162.9	-172.1	0	0	0	0	107.2
294	T	23.6	Very low	25.7	Very low	119 Å²	119	136.9 Å²	136.9	73%	0.73	77%	0.767	S	S	*	*			trans	-117.9	85.9	159.7	12.1	0	0	0	0	107.2	I292	I292-T294 WeakPolarHBondContact CG2-OG1 3.49Å
295	S	26	Very low	25.7	Very low	100 Å²	100	134.7 Å²	134.7	70%	0.699	77%	0.766	S	S	*	*			trans	-79.7	106	154.3	63.6	0	0	0	0	106.5
296	M	23.8	Very low	25.2	Very low	186 Å²	186	136.7 Å²	136.7	92%	0.916	77%	0.766	S	S	*	*				55.3	120.9	95.3	-78.1	-148	-81.2	0	0	113.6
297	G	22.6	Very low	25.3	Very low	70 Å²	70	138 Å²	138	72%	0.722	77%	0.767	S	S	*	*			trans	145.1	93.9	146	0	0	0	0	0	115.8
298	S	27.6	Very low	24.9	Very low	120 Å²	120	141 Å²	141	84%	0.839	77%	0.772	S	S	*	*			trans	78.1	91	142.2	-58.3	0	0	0	0	118.8	G300	S298-G300 PolarHBondContact O-N 3.36Å
299	R	23.8	Very low	25.1	Very low	258 Å²	258	142.6 Å²	142.6	97%	0.974	78%	0.781	S	S	*	*				-41.5	117.6	128.7	-82.2	177	174.3	176.6	-2	109.6
300	G	25.3	Very low	24.8	Very low	65 Å²	65	141.4 Å²	141.4	67%	0.67	78%	0.784	S	S	*	*			trans	-155.6	88.6	171.1	0	0	0	0	0	109	S298 P302	S298-G300 PolarHBondContact O-N 3.36Å; G300-P302 WeakPolarHBondContact O-CD 3.44Å
301	V	22.6	Very low	25.1	Very low	145 Å²	145	142.9 Å²	142.9	88%	0.879	79%	0.787	S	S	*	*			trans	-85.8	127	166.3	-174.1	0	0	0	0	107.2
302	P	24.7	Very low	25.2	Very low	114 Å²	114	139.8 Å²	139.8	74%	0.74	78%	0.779	S	S	*	*			trans	-120.3	114.6	141.3	30.8	-18	0	0	0	107.5	G300	G300-P302 WeakPolarHBondContact O-CD 3.44Å
303	F	21.7	Very low	25.2	Very low	184 Å²	184	136.7 Å²	136.7	81%	0.807	78%	0.775	S	S	*	*				59.5	99.4	83.2	-160.3	-98.1	0	0	0	113.8
304	A	24	Very low	25.3	Very low	62 Å²	62	139.5 Å²	139.5	51%	0.512	78%	0.781	S	S	.	*			trans	63.8	161.8	133.3	0	0	0	0	0	121.9
305	T	24.5	Very low	25.6	Very low	121 Å²	121	139.4 Å²	139.4	74%	0.742	79%	0.785	S	S	*	*			trans	76.2	105.4	167.7	63.7	0	0	0	0	114.6
306	Q	22.3	Very low	25.6	Very low	184 Å²	184	143.1 Å²	143.1	86%	0.86	79%	0.791	S	S	*	*				57.4	102.9	62.4	-160.3	-179.5	27.5	0	0	111.2
307	E	25.5	Very low	25.7	Very low	170 Å²	170	139.6 Å²	139.6	79%	0.794	79%	0.785	S	S	*	*			trans	-164.9	114.8	155.4	-104	164.5	-156	0	0	106.1
308	M	23.9	Very low	26.6	Very low	163 Å²	163	141.8 Å²	141.8	80%	0.803	79%	0.786	S	S	*	*				69.3	117.9	99.4	-66	-169.2	-170.6	0	0	110.6
309	D	31.5	Very low	27	Very low	152 Å²	152	141.7 Å²	141.7	81%	0.813	78%	0.783	S	S	*	*				-152.5	139.3	63.6	-63	-46	0	0	0	108.1
310	E	23.6	Very low	27.4	Very low	179 Å²	179	135.8 Å²	135.8	84%	0.836	77%	0.77	S	S	*	*			cis	49.1	95.9	47.6	-71.5	-141.2	150.9	0	0	116
311	D	31.3	Very low	27.6	Very low	144 Å²	144	139.3 Å²	139.3	77%	0.77	78%	0.779	S	S	*	*			trans	-171.3	108.2	134.3	-90.4	-25.9	0	0	0	108.8
312	I	29.3	Very low	28.1	Very low	145 Å²	145	137.4 Å²	137.4	74%	0.744	77%	0.768	S	S	*	*				66.1	96.1	90.3	-62.3	175.6	0	0	0	111.2
313	A	25.3	Very low	28.4	Very low	80 Å²	80	138.3 Å²	138.3	66%	0.661	77%	0.771	S	S	*	*				79.2	140.8	85.7	0	0	0	0	0	116
314	L	27.9	Very low	29.3	Very low	169 Å²	169	135.3 Å²	135.3	89%	0.885	77%	0.77	S	S	*	*			trans	80.7	137.5	168.7	-49.7	177.4	0	0	0	114.8
315	S	30.2	Very low	29.7	Very low	116 Å²	116	138 Å²	138	81%	0.811	78%	0.784	S	S	*	*			cis	-174.6	168.9	9.9	43	0	0	0	0	109.7
316	E	25.8	Very low	30.3	Very low	179 Å²	179	140.7 Å²	140.7	84%	0.836	79%	0.794	S	S	*	*			trans	-60.8	155.8	179.2	-60.7	168.2	126.5	0	0	117.5
317	S	26.7	Very low	31.2	Very low	111 Å²	111	135.2 Å²	135.2	78%	0.776	79%	0.787	S	S	*	*			trans	74	165.3	148.5	78.9	0	0	0	0	120
318	P	40.3	Very low	32	Very low	116 Å²	116	136.7 Å²	136.7	75%	0.753	79%	0.79	S	S	*	*				-122.8	-169.2	-58.8	42.4	-27.2	0	0	0	109.9
319	P	36.8	Very low	33	Very low	119 Å²	119	140.9 Å²	140.9	77%	0.773	80%	0.797	S	S	*	*			trans	-97.9	147.7	-153.4	38.4	-33.5	0	0	0	114.8
320	D	31.9	Very low	33.9	Very low	133 Å²	133	138 Å²	138	71%	0.711	79%	0.794	S	S	*	*			trans	-140.7	107.1	147.8	-163.5	-7.1	0	0	0	109.1	T322	D320-T322 PolarHBondContact OD1-OG1 2.83Å
321	V	30.3	Very low	35.6	Very low	140 Å²	140	132.8 Å²	132.8	85%	0.848	78%	0.775	S	S	*	*			trans	-98.9	100.1	167.3	173.1	0	0	0	0	105.7
322	T	32.9	Very low	37.4	Very low	105 Å²	105	130.9 Å²	130.9	64%	0.644	77%	0.765	S	S	*	*			trans	-126.1	100.2	162.4	30.6	0	0	0	0	111.3	D320	D320-T322 PolarHBondContact OD1-OG1 2.83Å
323	V	31.4	Very low	39.2	Very low	132 Å²	132	131.4 Å²	131.4	80%	0.8	76%	0.762	S	S	*	*			trans	83	136.4	138.4	-171.2	0	0	0	0	117.8
324	P	38.9	Very low	41.4	Very low	121 Å²	121	137.3 Å²	137.3	79%	0.786	77%	0.767	S	S	*	*			trans	-100.4	147	-146.3	37.3	-29.4	0	0	0	112.8
325	S	34.5	Very low	43.4	Very low	118 Å²	118	130.2 Å²	130.2	83%	0.825	74%	0.735	S	S	*	*			trans	-125.1	131.3	156.2	85.4	0	0	0	0	110.7	G327	S325-G327 PolarHBondContact O-N 3.45Å
326	L	36.6	Very low	45.4	Very low	179 Å²	179	130 Å²	130	94%	0.937	72%	0.721	S	S	*	*			trans	-67	80.5	-169.6	-167.4	77.5	0	0	0	111.1
327	G	39.8	Very low	47.5	Very low	69 Å²	69	124.4 Å²	124.4	71%	0.711	71%	0.705	S	S	*	*			trans	-90.1	105.3	173.5	0	0	0	0	0	111.2	S325 R329	S325-G327 PolarHBondContact O-N 3.45Å; G327-R329 PolarHBondContact O-N 3.37Å
328	K	42.4	Very low	49.8	Very low	201 Å²	201	124.5 Å²	124.5	87%	0.874	70%	0.696	S	S	*	*			trans	-40.2	126.3	-179.2	-66.6	164.5	180	174.3	0	112.6	A330	K328-A330 VanDerWaalsContact C-N 3.29Å; K328-A330 PolarHBondContact O-N 2.82Å
329	R	46.4	Very low	51.4	Low	250 Å²	250	123.1 Å²	123.1	94%	0.943	69%	0.686	S	S	*	*			trans	-53.6	85.5	171.4	-164.1	172.5	-179.2	165.7	-1.3	109.6	G327 V331	G327-R329 PolarHBondContact O-N 3.37Å; R329-V331 PolarHBondContact O-N 2.8Å
330	A	50.3	Low	52.9	Low	91 Å²	91	124.6 Å²	124.6	75%	0.752	68%	0.68	S	S	*	*			trans	-65.7	116.5	172.4	0	0	0	0	0	107	K328 D332	K328-A330 VanDerWaalsContact C-N 3.29Å; K328-A330 PolarHBondContact O-N 2.82Å; A330-D332 PolarHBondContact O-N 3.41Å
331	V	59.1	Low	54.9	Low	70 Å²	70	125.9 Å²	125.9	42%	0.424	68%	0.68	S	S	.	*			trans	-62.7	116	175.6	176.6	0	0	0	0	107.2	R329 F333 E336	R329-V331 PolarHBondContact O-N 2.8Å; V331-F333 HydrophobicContact CB-CD2 4.32Å; V331-F333 HydrophobicContact CB-CE2 3.99Å; V331-F333 HydrophobicContact CB-CZ 4.25Å; V331-F333 HydrophobicContact CG1-CD1 4.29Å; V331-F333 HydrophobicContact CG1-CD2 4.27Å; V331-F333 HydrophobicContact CG1-CE1 4.18Å; V331-F333 HydrophobicContact CG1-CE2 4.15Å; V331-F333 HydrophobicContact CG1-CG 4.35Å; V331-F333 HydrophobicContact CG1-CZ 4.11Å; V331-F333 VanDerWaalsContact O-CD2 3.26Å; V331-F333 WeakPolarHBondContact O-CD2 3.34Å; V331-F333 PolarHBondContact O-N 3.37Å; V331-E336 WeakPolarHBondContact CG1-OE1 3.27Å
332	D	69.6	Low	56.9	Low	105 Å²	105	122.5 Å²	122.5	56%	0.561	67%	0.666	S	S	*	*			trans	-74.7	80.9	174.5	178.7	11	0	0	0	109.2	A330 R334 G335 E336	A330-D332 PolarHBondContact O-N 3.41Å; D332-R334 PolarHBondContact O-N 3.19Å; D332-R334 VanDerWaalsContact O-N 3.13Å; D332-R334 PolarHBondContact OD1-N 2.72Å; D332-R334 VanDerWaalsContact OD1-N 3.17Å; D332-G335 VanDerWaalsContact CG-N 3.33Å; D332-G335 PolarHBondContact O-N 3.28Å; D332-G335 PolarHBondContact OD1-N 2.6Å; D332-G335 PolarHBondContact OD2-N 3.34Å; D332-E336 WeakPolarHBondContact O-CG 3.21Å; D332-E336 PolarHBondContact O-N 2.88Å
333	F	67.3	Low	59	Low	156 Å²	156	121.2 Å²	121.2	68%	0.684	66%	0.658	S	S	*	*	H	α-helix	trans	-56	-27.6	178.2	-74.5	-78.5	0	0	0	112.9	V331 A337	V331-F333 HydrophobicContact CB-CD2 4.32Å; V331-F333 HydrophobicContact CB-CE2 3.99Å; V331-F333 HydrophobicContact CB-CZ 4.25Å; V331-F333 HydrophobicContact CG1-CD1 4.29Å; V331-F333 HydrophobicContact CG1-CD2 4.27Å; V331-F333 HydrophobicContact CG1-CE1 4.18Å; V331-F333 HydrophobicContact CG1-CE2 4.15Å; V331-F333 HydrophobicContact CG1-CG 4.35Å; V331-F333 HydrophobicContact CG1-CZ 4.11Å; V331-F333 VanDerWaalsContact O-CD2 3.26Å; V331-F333 WeakPolarHBondContact O-CD2 3.34Å; V331-F333 PolarHBondContact O-N 3.37Å; F333-A337 WeakPolarHBondContact O-CB 3.21Å; F333-A337 PolarHBondContact O-N 3.13Å
334	R	69.8	Low	60.9	Low	203 Å²	203	117 Å²	117	77%	0.766	64%	0.635	S	S	*	*	H	α-helix	trans	-77.1	-43.8	-179.9	-172.2	171.7	177.8	-179	-2.5	110.7	D332 A337 L338	D332-R334 PolarHBondContact O-N 3.19Å; D332-R334 VanDerWaalsContact O-N 3.13Å; D332-R334 PolarHBondContact OD1-N 2.72Å; D332-R334 VanDerWaalsContact OD1-N 3.17Å; R334-A337 PolarHBondContact O-N 2.82Å; R334-L338 HydrophobicContact CG-CD1 4.45Å; R334-L338 WeakPolarHBondContact O-CB 3.5Å; R334-L338 WeakPolarHBondContact O-CG 3.37Å; R334-L338 PolarHBondContact O-N 3.17Å
335	G	70.1	Confident	62.5	Low	20 Å²	20	113.6 Å²	113.6	21%	0.206	62%	0.617	C	S	.	*	H	α-helix	trans	-61	-43	170.5	0	0	0	0	0	112.4	D332 L338 T339	D332-G335 VanDerWaalsContact CG-N 3.33Å; D332-G335 PolarHBondContact O-N 3.28Å; D332-G335 PolarHBondContact OD1-N 2.6Å; D332-G335 PolarHBondContact OD2-N 3.34Å; G335-L338 PolarHBondContact O-N 3.26Å; G335-T339 WeakPolarHBondContact O-CB 3.48Å; G335-T339 PolarHBondContact O-N 3.05Å; G335-T339 PolarHBondContact O-OG1 3.41Å
336	E	73.1	Confident	64.5	Low	113 Å²	113	109.8 Å²	109.8	53%	0.528	60%	0.596	S	S	.	*	H	α-helix	trans	-64.6	-42.5	175.8	-72.6	-171.3	179.7	0	0	112.1	V331 D332 T339 F340	V331-E336 WeakPolarHBondContact CG1-OE1 3.27Å; D332-E336 WeakPolarHBondContact O-CG 3.21Å; D332-E336 PolarHBondContact O-N 2.88Å; E336-T339 PolarHBondContact O-N 3.49Å; E336-F340 WeakPolarHBondContact O-CB 3.22Å; E336-F340 PolarHBondContact O-N 2.91Å
337	A	68.9	Low	66.5	Low	61 Å²	61	105.2 Å²	105.2	50%	0.504	57%	0.572	S	S	.	*	H	α-helix	trans	-65.6	-39.9	177.2	0	0	0	0	0	112.9	F333 R334 F340 K341	F333-A337 WeakPolarHBondContact O-CB 3.21Å; F333-A337 PolarHBondContact O-N 3.13Å; R334-A337 PolarHBondContact O-N 2.82Å; A337-F340 PolarHBondContact O-N 3.23Å; A337-K341 WeakPolarHBondContact O-CB 3.36Å; A337-K341 PolarHBondContact O-N 2.91Å
338	L	74.6	Confident	68.2	Low	113 Å²	113	108.6 Å²	108.6	59%	0.592	57%	0.569	S	S	*	*	H	α-helix	trans	-63.3	-44.2	174	-78.3	165.2	0	0	0	111.1	R334 G335 K341 A342	R334-L338 HydrophobicContact CG-CD1 4.45Å; R334-L338 WeakPolarHBondContact O-CB 3.5Å; R334-L338 WeakPolarHBondContact O-CG 3.37Å; R334-L338 PolarHBondContact O-N 3.17Å; G335-L338 PolarHBondContact O-N 3.26Å; L338-K341 PolarHBondContact O-N 3.4Å; L338-A342 WeakPolarHBondContact O-CB 3.39Å; L338-A342 PolarHBondContact O-N 3.43Å
339	T	74.8	Confident	70	Confident	86 Å²	86	104.7 Å²	104.7	53%	0.528	56%	0.557	S	S	.	*	H	α-helix	trans	-63.9	-42.2	177.2	-54.1	0	0	0	0	111	G335 E336 A342 T343	G335-T339 WeakPolarHBondContact O-CB 3.48Å; G335-T339 PolarHBondContact O-N 3.05Å; G335-T339 PolarHBondContact O-OG1 3.41Å; E336-T339 PolarHBondContact O-N 3.49Å; T339-A342 PolarHBondContact O-N 2.73Å; T339-T343 VanDerWaalsContact O-CB 3.32Å; T339-T343 WeakPolarHBondContact O-CB 3.43Å; T339-T343 PolarHBondContact O-N 3.31Å; T339-T343 PolarHBondContact O-OG1 2.87Å
340	F	67.3	Low	71.7	Confident	151 Å²	151	96 Å²	96	66%	0.662	53%	0.529	S	S	*	.	H	α-helix	trans	-64.1	-41.6	177	-168.2	-92.5	0	0	0	111.9	E336 A337 T343 S344	E336-F340 WeakPolarHBondContact O-CB 3.22Å; E336-F340 PolarHBondContact O-N 2.91Å; A337-F340 PolarHBondContact O-N 3.23Å; F340-T343 PolarHBondContact O-N 2.87Å; F340-S344 WeakPolarHBondContact CE1-OG 3.4Å; F340-S344 VanDerWaalsContact O-CB 3.25Å; F340-S344 WeakPolarHBondContact O-CB 3.27Å; F340-S344 PolarHBondContact O-N 3.4Å; F340-S344 PolarHBondContact O-OG 3.47Å
341	K	74	Confident	73.2	Confident	160 Å²	160	98 Å²	98	70%	0.696	52%	0.521	S	S	*	.	H	α-helix	trans	-65.1	-43.8	176.7	-169.5	176.5	-178.5	-178.6	0	111.7	A337 L338 S344 A345	A337-K341 WeakPolarHBondContact O-CB 3.36Å; A337-K341 PolarHBondContact O-N 2.91Å; L338-K341 PolarHBondContact O-N 3.4Å; K341-S344 PolarHBondContact O-N 3.05Å; K341-A345 WeakPolarHBondContact O-CB 3.41Å; K341-A345 PolarHBondContact O-N 3.44Å
342	A	72.9	Confident	74.2	Confident	69 Å²	69	102.8 Å²	102.8	57%	0.57	53%	0.531	S	S	*	.	H	α-helix	trans	-63.5	-43.1	175.8	0	0	0	0	0	111.7	L338 T339 G346	L338-A342 WeakPolarHBondContact O-CB 3.39Å; L338-A342 PolarHBondContact O-N 3.43Å; T339-A342 PolarHBondContact O-N 2.73Å; A342-G346 PolarHBondContact O-N 2.95Å
343	T	78.1	Confident	75.1	Confident	77 Å²	77	104 Å²	104	47%	0.472	53%	0.531	S	S	.	.	H	α-helix	trans	-65.3	-44.3	177.8	-53.2	0	0	0	0	111.1	T339 F340 G346 I347	T339-T343 VanDerWaalsContact O-CB 3.32Å; T339-T343 WeakPolarHBondContact O-CB 3.43Å; T339-T343 PolarHBondContact O-N 3.31Å; T339-T343 PolarHBondContact O-OG1 2.87Å; F340-T343 PolarHBondContact O-N 2.87Å; T343-G346 PolarHBondContact O-N 3.47Å; T343-I347 HydrophobicContact CG2-CD1 4.01Å; T343-I347 VanDerWaalsContact O-CG1 3.26Å; T343-I347 WeakPolarHBondContact O-CG1 3.44Å; T343-I347 PolarHBondContact O-N 2.64Å
344	S	71.2	Confident	76	Confident	44 Å²	44	102.5 Å²	102.5	31%	0.308	52%	0.521	S	S	.	.	H	α-helix	trans	-64.1	-44.6	178.3	-59.1	0	0	0	0	111.7	F340 K341 G346 I347 E348	F340-S344 WeakPolarHBondContact CE1-OG 3.4Å; F340-S344 VanDerWaalsContact O-CB 3.25Å; F340-S344 WeakPolarHBondContact O-CB 3.27Å; F340-S344 PolarHBondContact O-N 3.4Å; F340-S344 PolarHBondContact O-OG 3.47Å; K341-S344 PolarHBondContact O-N 3.05Å; S344-G346 VanDerWaalsContact C-N 3.32Å; S344-G346 PolarHBondContact O-N 3.45Å; S344-I347 PolarHBondContact O-N 2.81Å; S344-E348 PolarHBondContact O-N 3.48Å
345	A	73	Confident	76.5	Confident	50 Å²	50	95.7 Å²	95.7	41%	0.413	51%	0.508	S	S	.	.	H	α-helix	trans	-62.4	-39.5	175.2	0	0	0	0	0	111.9	K341 E348 I349	K341-A345 WeakPolarHBondContact O-CB 3.41Å; K341-A345 PolarHBondContact O-N 3.44Å; A345-E348 PolarHBondContact O-N 2.81Å; A345-I349 WeakPolarHBondContact O-CD1 3.35Å; A345-I349 VanDerWaalsContact O-CG1 3.27Å; A345-I349 WeakPolarHBondContact O-CG1 3.41Å; A345-I349 PolarHBondContact O-N 2.92Å
346	G	75.4	Confident	77	Confident	38 Å²	38	98.7 Å²	98.7	39%	0.392	52%	0.517	S	S	.	.	H	α-helix	trans	-61	-44.8	173	0	0	0	0	0	112.7	A342 T343 S344 E348 I349 D350	A342-G346 PolarHBondContact O-N 2.95Å; T343-G346 PolarHBondContact O-N 3.47Å; S344-G346 VanDerWaalsContact C-N 3.32Å; S344-G346 PolarHBondContact O-N 3.45Å; G346-E348 PolarHBondContact O-N 2.93Å; G346-I349 PolarHBondContact O-N 3.22Å; G346-D350 VanDerWaalsContact O-CB 3.26Å; G346-D350 WeakPolarHBondContact O-CB 3.25Å; G346-D350 PolarHBondContact O-N 3.04Å
347	I	78.7	Confident	77.7	Confident	83 Å²	83	96.8 Å²	96.8	43%	0.426	51%	0.51	S	S	.	.	H	α-helix	trans	-63.4	-40.3	176.6	-66.8	163.3	0	0	0	111.2	T343 S344 D350 K351	T343-I347 HydrophobicContact CG2-CD1 4.01Å; T343-I347 VanDerWaalsContact O-CG1 3.26Å; T343-I347 WeakPolarHBondContact O-CG1 3.44Å; T343-I347 PolarHBondContact O-N 2.64Å; S344-I347 PolarHBondContact O-N 2.81Å; I347-D350 PolarHBondContact O-N 3.11Å; I347-K351 HydrophobicContact CG2-CD 4.27Å; I347-K351 HydrophobicContact CG2-CG 4.46Å; I347-K351 WeakPolarHBondContact O-CB 3.44Å; I347-K351 WeakPolarHBondContact O-CG 3.27Å; I347-K351 PolarHBondContact O-N 3.48Å
348	E	75.9	Confident	78.3	Confident	140 Å²	140	100.4 Å²	100.4	65%	0.654	52%	0.517	S	S	*	.	H	α-helix	trans	-63.5	-46.5	178.2	-161.4	89.4	-149.8	0	0	111.5	S344 A345 G346 D350 K351 R352	S344-E348 PolarHBondContact O-N 3.48Å; A345-E348 PolarHBondContact O-N 2.81Å; G346-E348 PolarHBondContact O-N 2.93Å; E348-D350 VanDerWaalsContact C-N 3.34Å; E348-D350 PolarHBondContact O-N 3.29Å; E348-K351 PolarHBondContact O-N 3.05Å; E348-R352 WeakPolarHBondContact O-CB 3.49Å; E348-R352 PolarHBondContact O-N 3.35Å
349	I	80	Confident	78.5	Confident	118 Å²	118	97.9 Å²	97.9	61%	0.605	51%	0.508	S	S	*	.	H	α-helix	trans	-63	-42.7	177.6	-68.5	165.8	0	0	0	110.5	A345 G346 R352 K353	A345-I349 WeakPolarHBondContact O-CD1 3.35Å; A345-I349 VanDerWaalsContact O-CG1 3.27Å; A345-I349 WeakPolarHBondContact O-CG1 3.41Å; A345-I349 PolarHBondContact O-N 2.92Å; G346-I349 PolarHBondContact O-N 3.22Å; I349-R352 PolarHBondContact O-N 3.36Å; I349-K353 WeakPolarHBondContact O-CB 3.28Å; I349-K353 PolarHBondContact O-N 2.98Å
350	D	82.4	Confident	78.9	Confident	67 Å²	67	101.1 Å²	101.1	36%	0.358	51%	0.51	S	S	.	.	H	α-helix	trans	-68.6	-37.9	179.7	-171.8	41.6	0	0	0	112	G346 I347 E348 R354	G346-D350 VanDerWaalsContact O-CB 3.26Å; G346-D350 WeakPolarHBondContact O-CB 3.25Å; G346-D350 PolarHBondContact O-N 3.04Å; I347-D350 PolarHBondContact O-N 3.11Å; E348-D350 VanDerWaalsContact C-N 3.34Å; E348-D350 PolarHBondContact O-N 3.29Å; D350-R354 WeakPolarHBondContact O-CG 3.48Å; D350-R354 PolarHBondContact O-N 3.26Å; D350-R354 IonicContact OD1-CZ 2.75Å; D350-R354 IonicContact OD1-NH1 3.29Å; D350-R354 IonicContact OD1-NH2 2.73Å; D350-R354 PolarHBondContact OD1-NH2 2.94Å; D350-R354 IonicContact OD2-CZ 3.97Å; D350-R354 IonicContact OD2-NH1 3.99Å; D350-R354 PolarHBondContact OD2-NH1 3.28Å; D350-R354 IonicContact OD2-NH2 3.88Å; D350-R354 PolarHBondContact OD2-NH2 3.31Å
351	K	80.9	Confident	79.7	Confident	134 Å²	134	99.6 Å²	99.6	58%	0.583	51%	0.505	S	S	*	.	H	α-helix	trans	-63	-44.7	170.1	-79.4	-179.4	179.8	179.7	0	111.9	I347 E348 R354 A355	I347-K351 HydrophobicContact CG2-CD 4.27Å; I347-K351 HydrophobicContact CG2-CG 4.46Å; I347-K351 WeakPolarHBondContact O-CB 3.44Å; I347-K351 WeakPolarHBondContact O-CG 3.27Å; I347-K351 PolarHBondContact O-N 3.48Å; E348-K351 PolarHBondContact O-N 3.05Å; K351-R354 PolarHBondContact O-N 2.99Å; K351-A355 WeakPolarHBondContact O-CB 3.45Å; K351-A355 PolarHBondContact O-N 3.06Å
352	R	80.8	Confident	80	Confident	171 Å²	171	96 Å²	96	65%	0.645	50%	0.496	S	S	*	.	H	α-helix	trans	-62.8	-43.7	178.1	-173.6	176.4	-177.1	130.8	0.2	111.5	E348 I349 A355 E356	E348-R352 WeakPolarHBondContact O-CB 3.49Å; E348-R352 PolarHBondContact O-N 3.35Å; I349-R352 PolarHBondContact O-N 3.36Å; R352-A355 PolarHBondContact O-N 3.08Å; R352-E356 IonicContact NE-OE1 2.64Å; R352-E356 PolarHBondContact NE-OE1 3.23Å; R352-E356 WeakPolarHBondContact O-CG 3.45Å; R352-E356 PolarHBondContact O-N 3.33Å
353	K	88.8	Confident	80.1	Confident	129 Å²	129	100.4 Å²	100.4	56%	0.561	50%	0.498	S	S	*	.	H	α-helix	trans	-61.6	-45.7	176.6	-170	177.3	178.5	-177.1	0	111.5	I349 A355 E356 D357	I349-K353 WeakPolarHBondContact O-CB 3.28Å; I349-K353 PolarHBondContact O-N 2.98Å; K353-A355 VanDerWaalsContact C-N 3.32Å; K353-A355 PolarHBondContact O-N 3.48Å; K353-E356 PolarHBondContact O-N 3.02Å; K353-D357 WeakPolarHBondContact O-CB 3.48Å; K353-D357 PolarHBondContact O-N 3.4Å
354	R	85.7	Confident	80.1	Confident	125 Å²	125	103.2 Å²	103.2	47%	0.472	51%	0.506	S	S	.	.	H	α-helix	trans	-61.2	-38.1	174.4	-73.7	-167.2	-166.1	87.2	6.2	113.1	D350 K351 H358	D350-R354 WeakPolarHBondContact O-CG 3.48Å; D350-R354 PolarHBondContact O-N 3.26Å; D350-R354 IonicContact OD1-CZ 2.75Å; D350-R354 IonicContact OD1-NH1 3.29Å; D350-R354 IonicContact OD1-NH2 2.73Å; D350-R354 PolarHBondContact OD1-NH2 2.94Å; D350-R354 IonicContact OD2-CZ 3.97Å; D350-R354 IonicContact OD2-NH1 3.99Å; D350-R354 PolarHBondContact OD2-NH1 3.28Å; D350-R354 IonicContact OD2-NH2 3.88Å; D350-R354 PolarHBondContact OD2-NH2 3.31Å; K351-R354 PolarHBondContact O-N 2.99Å; R354-H358 WeakPolarHBondContact O-CB 3.21Å; R354-H358 PolarHBondContact O-N 2.88Å
355	A	79.8	Confident	80.4	Confident	60 Å²	60	106.1 Å²	106.1	50%	0.496	51%	0.514	S	S	.	.	H	α-helix	trans	-68.3	-40.7	176.5	0	0	0	0	0	112	K351 R352 K353 H358 C359	K351-A355 WeakPolarHBondContact O-CB 3.45Å; K351-A355 PolarHBondContact O-N 3.06Å; R352-A355 PolarHBondContact O-N 3.08Å; K353-A355 VanDerWaalsContact C-N 3.32Å; K353-A355 PolarHBondContact O-N 3.48Å; A355-H358 PolarHBondContact O-N 3.42Å; A355-C359 WeakPolarHBondContact O-CB 3.47Å; A355-C359 PolarHBondContact O-N 2.97Å
356	E	81	Confident	80.2	Confident	83 Å²	83	108.7 Å²	108.7	39%	0.388	52%	0.521	S	S	.	.	H	α-helix	trans	-65.6	-41.4	174.6	-76.4	178.3	-167.3	0	0	111.8	R352 K353 C359 R360	R352-E356 IonicContact NE-OE1 2.64Å; R352-E356 PolarHBondContact NE-OE1 3.23Å; R352-E356 WeakPolarHBondContact O-CG 3.45Å; R352-E356 PolarHBondContact O-N 3.33Å; K353-E356 PolarHBondContact O-N 3.02Å; E356-C359 PolarHBondContact O-N 3.31Å; E356-R360 WeakPolarHBondContact O-CG 3.4Å; E356-R360 PolarHBondContact O-N 2.82Å
357	D	86.9	Confident	80	Confident	73 Å²	73	113.2 Å²	113.2	39%	0.39	53%	0.532	S	S	.	.	H	α-helix	trans	-66.2	-41.3	175.6	-71.4	-25	0	0	0	111.5	K353 C359 R360 Q361	K353-D357 WeakPolarHBondContact O-CB 3.48Å; K353-D357 PolarHBondContact O-N 3.4Å; D357-C359 VanDerWaalsContact C-N 3.34Å; D357-C359 PolarHBondContact O-N 3.02Å; D357-R360 PolarHBondContact O-N 3.36Å; D357-R360 IonicContact OD1-NH1 3.92Å; D357-Q361 WeakPolarHBondContact O-CB 3.26Å; D357-Q361 PolarHBondContact O-N 3.44Å
358	H	82	Confident	79.7	Confident	138 Å²	138	115 Å²	115	64%	0.639	54%	0.536	S	S	*	.	H	α-helix	trans	-59.6	-43.6	170.6	-107.9	79.5	0	0	0	111.8	R354 A355 R360 Q361 V362	R354-H358 WeakPolarHBondContact O-CB 3.21Å; R354-H358 PolarHBondContact O-N 2.88Å; A355-H358 PolarHBondContact O-N 3.42Å; H358-R360 VanDerWaalsContact C-N 3.31Å; H358-R360 PolarHBondContact O-N 3.13Å; H358-Q361 PolarHBondContact O-N 3.02Å; H358-V362 WeakPolarHBondContact O-CB 3.36Å; H358-V362 VanDerWaalsContact O-CG2 3.29Å; H358-V362 WeakPolarHBondContact O-CG2 3.47Å; H358-V362 PolarHBondContact O-N 3.36Å
359	C	78.9	Confident	79	Confident	60 Å²	60	112.7 Å²	112.7	41%	0.405	53%	0.528	S	S	.	.	H	α-helix	trans	-65.5	-35.2	178.2	-170.9	0	0	0	0	112	A355 E356 D357 R363	A355-C359 WeakPolarHBondContact O-CB 3.47Å; A355-C359 PolarHBondContact O-N 2.97Å; E356-C359 PolarHBondContact O-N 3.31Å; D357-C359 VanDerWaalsContact C-N 3.34Å; D357-C359 PolarHBondContact O-N 3.02Å; C359-R363 WeakPolarHBondContact O-CB 3.36Å; C359-R363 PolarHBondContact O-N 3.29Å; C359-R363 PolarHBondContact SG-NH2 3.5Å
360	R	82.9	Confident	78	Confident	153 Å²	153	112.5 Å²	112.5	58%	0.577	53%	0.525	S	S	*	.	H	α-helix	trans	-68.2	-44.3	172.6	-73.9	176.9	-169.6	173.3	4.5	111.6	E356 D357 H358 R363 H364	E356-R360 WeakPolarHBondContact O-CG 3.4Å; E356-R360 PolarHBondContact O-N 2.82Å; D357-R360 PolarHBondContact O-N 3.36Å; D357-R360 IonicContact OD1-NH1 3.92Å; H358-R360 VanDerWaalsContact C-N 3.31Å; H358-R360 PolarHBondContact O-N 3.13Å; R360-R363 PolarHBondContact O-N 2.92Å; R360-H364 WeakPolarHBondContact O-CB 3.34Å; R360-H364 PolarHBondContact O-N 3.22Å
361	Q	83.6	Confident	76.7	Confident	119 Å²	119	112.2 Å²	112.2	56%	0.556	53%	0.531	S	S	*	.	H	α-helix	trans	-58.3	-51.3	176.4	-171.6	91.7	17.2	0	0	110.6	D357 H358 R363 H364 E365	D357-Q361 WeakPolarHBondContact O-CB 3.26Å; D357-Q361 PolarHBondContact O-N 3.44Å; H358-Q361 PolarHBondContact O-N 3.02Å; Q361-R363 VanDerWaalsContact C-N 3.31Å; Q361-R363 PolarHBondContact O-N 3.3Å; Q361-H364 PolarHBondContact O-N 2.97Å; Q361-H364 VanDerWaalsContact O-N 3.11Å; Q361-E365 WeakPolarHBondContact O-CB 3.31Å; Q361-E365 PolarHBondContact O-N 3.41Å
362	V	80.1	Confident	75.2	Confident	85 Å²	85	110.2 Å²	110.2	52%	0.515	52%	0.524	S	S	.	.	H	α-helix	trans	-60.6	-39.9	177.5	171.7	0	0	0	0	111.1	H358 E365 L366	H358-V362 WeakPolarHBondContact O-CB 3.36Å; H358-V362 VanDerWaalsContact O-CG2 3.29Å; H358-V362 WeakPolarHBondContact O-CG2 3.47Å; H358-V362 PolarHBondContact O-N 3.36Å; V362-E365 PolarHBondContact O-N 2.98Å; V362-L366 VanDerWaalsContact O-CB 3.23Å; V362-L366 WeakPolarHBondContact O-CB 3.22Å; V362-L366 PolarHBondContact O-N 2.98Å
363	R	75.7	Confident	73.5	Confident	162 Å²	162	108.9 Å²	108.9	61%	0.611	52%	0.519	S	S	*	.	H	α-helix	trans	-65	-39.9	174.5	-101.8	-175.1	-85.5	-178.6	-11.1	112.8	C359 R360 Q361 L366 Q367	C359-R363 WeakPolarHBondContact O-CB 3.36Å; C359-R363 PolarHBondContact O-N 3.29Å; C359-R363 PolarHBondContact SG-NH2 3.5Å; R360-R363 PolarHBondContact O-N 2.92Å; Q361-R363 VanDerWaalsContact C-N 3.31Å; Q361-R363 PolarHBondContact O-N 3.3Å; R363-L366 PolarHBondContact O-N 3.46Å; R363-Q367 WeakPolarHBondContact O-CB 3.31Å; R363-Q367 PolarHBondContact O-N 3.23Å
364	H	79.1	Confident	71.1	Confident	136 Å²	136	107.4 Å²	107.4	63%	0.63	52%	0.517	S	S	*	.	H	α-helix	trans	-71.9	-35.8	179.4	-145.5	-67.3	0	0	0	111.4	R360 Q361 K368	R360-H364 WeakPolarHBondContact O-CB 3.34Å; R360-H364 PolarHBondContact O-N 3.22Å; Q361-H364 PolarHBondContact O-N 2.97Å; Q361-H364 VanDerWaalsContact O-N 3.11Å; H364-K368 VanDerWaalsContact O-CB 3.25Å; H364-K368 WeakPolarHBondContact O-CB 3.22Å; H364-K368 PolarHBondContact O-N 2.78Å
365	E	76	Confident	69	Low	104 Å²	104	107.2 Å²	107.2	49%	0.486	53%	0.53	S	S	.	.	H	α-helix	trans	-68.3	-40	170	-79.2	-177.7	176.6	0	0	111.7	Q361 V362 K368 L369	Q361-E365 WeakPolarHBondContact O-CB 3.31Å; Q361-E365 PolarHBondContact O-N 3.41Å; V362-E365 PolarHBondContact O-N 2.98Å; E365-K368 CarbonylContact O-C 3.59Å; E365-K368 PolarHBondContact O-N 3.43Å; E365-L369 VanDerWaalsContact O-CB 3.24Å; E365-L369 WeakPolarHBondContact O-CB 3.24Å; E365-L369 VanDerWaalsContact O-CG 3.23Å; E365-L369 WeakPolarHBondContact O-CG 3.34Å; E365-L369 PolarHBondContact O-N 2.87Å
366	L	70.2	Confident	66.9	Low	104 Å²	104	111.3 Å²	111.3	55%	0.545	54%	0.543	S	S	.	.	H	α-helix	trans	-65.7	-39.5	174.6	-163.3	80.5	0	0	0	111	V362 R363 L369 H370	V362-L366 VanDerWaalsContact O-CB 3.23Å; V362-L366 WeakPolarHBondContact O-CB 3.22Å; V362-L366 PolarHBondContact O-N 2.98Å; R363-L366 PolarHBondContact O-N 3.46Å; L366-L369 CarbonylContact O-C 3.59Å; L366-L369 PolarHBondContact O-N 3.21Å; L366-H370 VanDerWaalsContact O-CB 3.29Å; L366-H370 WeakPolarHBondContact O-CB 3.41Å; L366-H370 PolarHBondContact O-N 3.48Å
367	Q	69.9	Low	65	Low	134 Å²	134	109.8 Å²	109.8	63%	0.626	54%	0.539	S	S	*	.	H	α-helix	trans	-66.2	-39.9	172.2	-91.1	-174.5	-13.9	0	0	112.3	R363 H370 A371	R363-Q367 WeakPolarHBondContact O-CB 3.31Å; R363-Q367 PolarHBondContact O-N 3.23Å; Q367-H370 PolarHBondContact O-N 3.26Å; Q367-A371 WeakPolarHBondContact O-CB 3.38Å; Q367-A371 PolarHBondContact O-N 3.13Å
368	K	73	Confident	63	Low	119 Å²	119	109.1 Å²	109.1	52%	0.517	53%	0.533	S	S	.	.	H	α-helix	trans	-65.8	-44.7	175	-177.8	180	168.4	-175.1	0	110.6	H364 E365 H370 A371 E372	H364-K368 VanDerWaalsContact O-CB 3.25Å; H364-K368 WeakPolarHBondContact O-CB 3.22Å; H364-K368 PolarHBondContact O-N 2.78Å; E365-K368 CarbonylContact O-C 3.59Å; E365-K368 PolarHBondContact O-N 3.43Å; K368-H370 VanDerWaalsContact C-N 3.31Å; K368-H370 PolarHBondContact O-N 3Å; K368-A371 CarbonylContact O-C 3.57Å; K368-A371 PolarHBondContact O-N 3Å; K368-E372 VanDerWaalsContact CE-CD 3.49Å; K368-E372 WeakPolarHBondContact CE-OE1 3.47Å; K368-E372 HydrophobicContact CG-CG 4.28Å; K368-E372 IonicContact NZ-OE1 3.57Å; K368-E372 VanDerWaalsContact O-CB 3.23Å; K368-E372 WeakPolarHBondContact O-CB 3.17Å; K368-E372 VanDerWaalsContact O-CG 3.24Å; K368-E372 WeakPolarHBondContact O-CG 3.45Å; K368-E372 PolarHBondContact O-N 3.45Å
369	L	61.8	Low	61.6	Low	92 Å²	92	104.1 Å²	104.1	48%	0.482	52%	0.519	S	S	.	.	H	α-helix	trans	-64.9	-33.6	173.3	-74.2	172	0	0	0	111.6	E365 L366 R373	E365-L369 VanDerWaalsContact O-CB 3.24Å; E365-L369 WeakPolarHBondContact O-CB 3.24Å; E365-L369 VanDerWaalsContact O-CG 3.23Å; E365-L369 WeakPolarHBondContact O-CG 3.34Å; E365-L369 PolarHBondContact O-N 2.87Å; L366-L369 CarbonylContact O-C 3.59Å; L366-L369 PolarHBondContact O-N 3.21Å; L369-R373 WeakPolarHBondContact O-CA 3.46Å; L369-R373 WeakPolarHBondContact O-CB 3.42Å; L369-R373 WeakPolarHBondContact O-CG 3.44Å; L369-R373 PolarHBondContact O-N 2.92Å
370	H	57.8	Low	60.5	Low	115 Å²	115	101.3 Å²	101.3	53%	0.532	50%	0.5	S	S	.	.	H	α-helix	trans	-68.2	-44	170.6	-104.6	-138.6	0	0	0	111	L366 Q367 K368 R373 N374	L366-H370 VanDerWaalsContact O-CB 3.29Å; L366-H370 WeakPolarHBondContact O-CB 3.41Å; L366-H370 PolarHBondContact O-N 3.48Å; Q367-H370 PolarHBondContact O-N 3.26Å; K368-H370 VanDerWaalsContact C-N 3.31Å; K368-H370 PolarHBondContact O-N 3Å; H370-R373 PolarHBondContact O-N 2.64Å; H370-N374 VanDerWaalsContact O-CB 3.28Å; H370-N374 WeakPolarHBondContact O-CB 3.44Å; H370-N374 PolarHBondContact O-N 2.97Å; H370-N374 PolarHBondContact O-OD1 3Å
371	A	55.1	Low	59.3	Low	61 Å²	61	95.1 Å²	95.1	50%	0.504	48%	0.479	S	S	.	.	H	α-helix	trans	-67.2	-37.6	177.3	0	0	0	0	0	112.1	Q367 K368	Q367-A371 WeakPolarHBondContact O-CB 3.38Å; Q367-A371 PolarHBondContact O-N 3.13Å; K368-A371 CarbonylContact O-C 3.57Å; K368-A371 PolarHBondContact O-N 3Å
372	E	50.4	Low	58.3	Low	92 Å²	92	94.8 Å²	94.8	43%	0.43	48%	0.481	S	S	.	.	H	α-helix	trans	-75.2	-36.5	175.5	-71.8	175.7	167.1	0	0	111.3	K368 N374 V375 L376	K368-E372 VanDerWaalsContact CE-CD 3.49Å; K368-E372 WeakPolarHBondContact CE-OE1 3.47Å; K368-E372 HydrophobicContact CG-CG 4.28Å; K368-E372 IonicContact NZ-OE1 3.57Å; K368-E372 VanDerWaalsContact O-CB 3.23Å; K368-E372 WeakPolarHBondContact O-CB 3.17Å; K368-E372 VanDerWaalsContact O-CG 3.24Å; K368-E372 WeakPolarHBondContact O-CG 3.45Å; K368-E372 PolarHBondContact O-N 3.45Å; E372-N374 VanDerWaalsContact C-N 3.34Å; E372-V375 PolarHBondContact O-N 2.59Å; E372-L376 PolarHBondContact O-N 2.95Å
373	R	44.9	Very low	56.9	Low	142 Å²	142	97.9 Å²	97.9	54%	0.536	49%	0.485	S	S	.	.	H	α-helix	trans	-66.7	-34	169.5	-82	170.9	66.7	107.6	-1.1	111.7	L369 H370 V375 L376 T377	L369-R373 WeakPolarHBondContact O-CA 3.46Å; L369-R373 WeakPolarHBondContact O-CB 3.42Å; L369-R373 WeakPolarHBondContact O-CG 3.44Å; L369-R373 PolarHBondContact O-N 2.92Å; H370-R373 PolarHBondContact O-N 2.64Å; R373-V375 PolarHBondContact O-N 2.64Å; R373-L376 CarbonylContact O-C 3.56Å; R373-L376 PolarHBondContact O-N 2.75Å; R373-T377 VanDerWaalsContact O-CB 3.3Å; R373-T377 WeakPolarHBondContact O-CB 3.38Å; R373-T377 PolarHBondContact O-N 2.92Å; R373-T377 PolarHBondContact O-OG1 2.7Å
374	N	38.4	Very low	55.1	Low	99 Å²	99	99.3 Å²	99.3	53%	0.529	50%	0.499	S	S	.	.	H	α-helix	trans	-66	-18.6	175.7	-78.6	14.9	0	0	0	112.4	H370 E372	H370-N374 VanDerWaalsContact O-CB 3.28Å; H370-N374 WeakPolarHBondContact O-CB 3.44Å; H370-N374 PolarHBondContact O-N 2.97Å; H370-N374 PolarHBondContact O-OD1 3Å; E372-N374 VanDerWaalsContact C-N 3.34Å
375	V	41.1	Very low	53.2	Low	121 Å²	121	97 Å²	97	73%	0.733	49%	0.488	S	S	*	.	H	α-helix	trans	-90.3	-21.2	171.6	-179.9	0	0	0	0	112.2	E372 R373	E372-V375 PolarHBondContact O-N 2.59Å; R373-V375 PolarHBondContact O-N 2.64Å
376	L	36.5	Very low	51.4	Low	146 Å²	146	93.8 Å²	93.8	76%	0.764	48%	0.483	S	S	*	.	H	α-helix	trans	-117.6	5.1	-170.9	-71.5	173.2	0	0	0	116	E372 R373	E372-L376 PolarHBondContact O-N 2.95Å; R373-L376 CarbonylContact O-C 3.56Å; R373-L376 PolarHBondContact O-N 2.75Å
377	T	39.8	Very low	49.9	Very low	50 Å²	50	95.2 Å²	95.2	31%	0.307	50%	0.498	S	S	.	.			trans	-127.3	37.9	-171.3	-28.6	0	0	0	0	114.8	R373 A390	R373-T377 VanDerWaalsContact O-CB 3.3Å; R373-T377 WeakPolarHBondContact O-CB 3.38Å; R373-T377 PolarHBondContact O-N 2.92Å; R373-T377 PolarHBondContact O-OG1 2.7Å; T377-A390 HydrophobicContact CG2-CB 3.52Å
378	F	46.2	Very low	48.5	Very low	60 Å²	60	97.3 Å²	97.3	26%	0.263	51%	0.508	S	S	.	.			trans	-109.1	94.8	166.1	-107.8	-71.9	0	0	0	110.7	D167 V169 G380 Y383	D167-F378 WeakPolarHBondContact O-CZ 3.37Å; V169-F378 HydrophobicContact CB-CD1 3.82Å; V169-F378 HydrophobicContact CB-CE1 3.29Å; V169-F378 HydrophobicContact CB-CZ 3.84Å; V169-F378 HydrophobicContact CG2-CD1 3.56Å; V169-F378 HydrophobicContact CG2-CD2 4.26Å; V169-F378 HydrophobicContact CG2-CE1 3.07Å; V169-F378 HydrophobicContact CG2-CE2 3.8Å; V169-F378 HydrophobicContact CG2-CG 4.13Å; V169-F378 HydrophobicContact CG2-CZ 3.15Å; F378-G380 PolarHBondContact O-N 3.1Å; F378-Y383 WeakPolarHBondContact O-CE2 3.01Å
379	G	51.3	Low	47.2	Very low	33 Å²	33	94.3 Å²	94.3	34%	0.34	50%	0.502	S	S	.	.			trans	-72.8	71.3	174.9	0	0	0	0	0	111.7
380	G	57.9	Low	46.5	Very low	1 Å²	1	92.8 Å²	92.8	1%	0.01	50%	0.502	C	S	.	.			trans	-76.4	173.5	172.8	0	0	0	0	0	113.6	Y111 Y171 F378 D382 Y383	Y111-G380 PolarHBondContact OH-O 3.15Å; Y171-G380 WeakPolarHBondContact OH-CA 3.43Å; F378-G380 PolarHBondContact O-N 3.1Å; G380-D382 PolarHBondContact O-N 3.38Å; G380-Y383 PolarHBondContact O-N 3.13Å
381	P	57.6	Low	46.3	Very low	23 Å²	23	89 Å²	89	15%	0.149	49%	0.486	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-11	179	21.3	-33.9	0	0	0	115.9	W108 W115 Y171	W108-P381 HydrophobicContact CD2-CB 3.58Å; W108-P381 HydrophobicContact CD2-CG 4.36Å; W108-P381 HydrophobicContact CE3-CB 3.78Å; W108-P381 HydrophobicContact CG-CB 4Å; W108-P381 HydrophobicContact CG-CG 4.28Å; W108-P381 HydrophobicContact CH2-CB 4.14Å; W108-P381 HydrophobicContact CZ2-CB 3.98Å; W108-P381 HydrophobicContact CZ3-CB 4.03Å; W115-P381 HydrophobicContact CH2-CG 4.41Å; W115-P381 HydrophobicContact CZ2-CB 4.04Å; W115-P381 HydrophobicContact CZ2-CG 3.93Å; Y171-P381 HydrophobicContact CD1-CG 4.03Å; Y171-P381 VanDerWaalsContact CD2-CD 3.41Å; Y171-P381 HydrophobicContact CD2-CG 4.39Å; Y171-P381 HydrophobicContact CG-CG 3.92Å
382	D	60.9	Low	46.6	Very low	112 Å²	112	88.5 Å²	88.5	60%	0.599	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	0.2	-172.5	-52.2	-49.6	0	0	0	113.8	R160 G380	R160-D382 IonicContact CZ-OD2 2.64Å; R160-D382 VanDerWaalsContact CZ-OD2 3.31Å; R160-D382 IonicContact NH1-OD1 3.44Å; R160-D382 PolarHBondContact NH1-OD1 3.2Å; R160-D382 IonicContact NH1-OD2 3.98Å; R160-D382 PolarHBondContact NH1-OD2 2.78Å; R160-D382 IonicContact NH2-OD2 4Å; R160-D382 PolarHBondContact NH2-OD2 2.79Å; G380-D382 PolarHBondContact O-N 3.38Å
383	Y	52.1	Low	47.2	Very low	150 Å²	150	90.8 Å²	90.8	59%	0.588	49%	0.485	S	S	*	.	S	Bend	trans	-99.2	165.7	175.3	-63.4	-94.6	0	0	0	111.9	Y111 F378 G380	Y111-Y383 WeakPolarHBondContact CE1-O 3.48Å; Y111-Y383 WeakPolarHBondContact OH-CA 3.41Å; Y111-Y383 WeakPolarHBondContact OH-CB 3.48Å; Y111-Y383 PolarHBondContact OH-N 3.42Å; Y111-Y383 VanDerWaalsContact OH-N 3.14Å; Y111-Y383 PolarHBondContact OH-O 3.43Å; F378-Y383 WeakPolarHBondContact O-CE2 3.01Å; G380-Y383 PolarHBondContact O-N 3.13Å
384	E	38.2	Very low	48.3	Very low	192 Å²	192	89.4 Å²	89.4	90%	0.897	49%	0.489	S	S	*	.			trans	-102.4	126.7	170.8	-73.8	-174.3	163.1	0	0	109	G386	E384-G386 PolarHBondContact O-N 3.42Å
385	E	39.3	Very low	49.6	Very low	87 Å²	87	85.9 Å²	85.9	41%	0.407	47%	0.469	S	S	.	.			trans	-63.1	107	-175.6	-158.2	172.3	-149.7	0	0	111.2	Y111	Y111-E385 WeakPolarHBondContact CB-OE2 3.34Å; Y111-E385 HydrophobicContact CD1-CB 4.48Å; Y111-E385 HydrophobicContact CD2-CB 3.61Å; Y111-E385 HydrophobicContact CD2-CG 3.71Å; Y111-E385 HydrophobicContact CE2-CB 4.17Å; Y111-E385 HydrophobicContact CE2-CG 4.39Å; Y111-E385 HydrophobicContact CG-CB 3.79Å; Y111-E385 HydrophobicContact CG-CG 4.25Å
386	G	36.9	Very low	50.7	Low	37 Å²	37	81.9 Å²	81.9	38%	0.381	44%	0.441	S	S	.	.			trans	-107.7	169.3	173.5	0	0	0	0	0	112.3	E384 H388 S389	E384-G386 PolarHBondContact O-N 3.42Å; G386-H388 PolarHBondContact O-N 2.83Å; G386-S389 PolarHBondContact O-N 2.97Å
387	P	39.8	Very low	52.2	Low	134 Å²	134	78.6 Å²	78.6	87%	0.87	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	7.4	-175.8	25.5	-33.9	0	0	0	115.8
388	H	39.7	Very low	53.7	Low	177 Å²	177	77.6 Å²	77.6	82%	0.819	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.4	23.3	172.8	-57.5	-57.3	0	0	0	112.5	G386 A390	G386-H388 PolarHBondContact O-N 2.83Å; H388-A390 PolarHBondContact O-N 2.78Å
389	S	45.2	Very low	54.9	Low	57 Å²	57	74.7 Å²	74.7	40%	0.399	40%	0.399	S	S	.	.			trans	-53.2	104.7	174.9	-169.7	0	0	0	0	110.2	G386 L391	G386-S389 PolarHBondContact O-N 2.97Å; S389-L391 PolarHBondContact O-N 2.75Å
390	A	47.5	Very low	55.8	Low	59 Å²	59	73.3 Å²	73.3	49%	0.488	38%	0.384	S	S	.	.			trans	-91	52.6	176.8	0	0	0	0	0	109.5	T377 H388 N392	T377-A390 HydrophobicContact CG2-CB 3.52Å; H388-A390 PolarHBondContact O-N 2.78Å; A390-N392 PolarHBondContact O-N 2.77Å
391	L	54.7	Low	56.6	Low	35 Å²	35	75.9 Å²	75.9	18%	0.183	40%	0.397	C	S	.	.			trans	-54.5	125.1	168.3	-73.8	160.8	0	0	0	107.2	S389 E395 W396	S389-L391 PolarHBondContact O-N 2.75Å; L391-E395 HydrophobicContact CD2-CB 3.85Å; L391-W396 HydrophobicContact CB-CB 4.41Å
392	N	60.7	Low	57.5	Low	52 Å²	52	75 Å²	75	28%	0.278	39%	0.391	S	S	.	.			trans	-65.1	163.6	170.1	62.4	49.6	0	0	0	109.4	A390 D394 E395 W396	A390-N392 PolarHBondContact O-N 2.77Å; N392-D394 PolarHBondContact O-N 3.01Å; N392-D394 PolarHBondContact OD1-N 3.05Å; N392-E395 VanDerWaalsContact ND2-CD 3.27Å; N392-E395 PolarHBondContact ND2-OE1 3.06Å; N392-E395 PolarHBondContact O-N 3.13Å; N392-E395 WeakPolarHBondContact OD1-CB 3.44Å; N392-E395 VanDerWaalsContact OD1-CG 3.3Å; N392-E395 WeakPolarHBondContact OD1-CG 3.45Å; N392-E395 PolarHBondContact OD1-N 2.92Å; N392-W396 WeakPolarHBondContact O-CB 3.47Å; N392-W396 PolarHBondContact O-N 2.81Å
393	E	62.1	Low	58.1	Low	139 Å²	139	70.2 Å²	70.2	65%	0.65	37%	0.368	S	S	*	.	H	α-helix	trans	-58.1	-38.9	-175.5	-67.4	-166.2	168.7	0	0	112	W396 Y397	E393-W396 WeakPolarHBondContact O-CB 3.23Å; E393-W396 PolarHBondContact O-N 2.73Å; E393-Y397 VanDerWaalsContact C-CD2 3.48Å; E393-Y397 HydrophobicContact CB-CD2 4.23Å; E393-Y397 HydrophobicContact CB-CE2 3.77Å; E393-Y397 WeakPolarHBondContact O-CD2 3.42Å; E393-Y397 PolarHBondContact O-N 3.44Å
394	D	67.6	Low	59.3	Low	113 Å²	113	63.3 Å²	63.3	60%	0.604	34%	0.341	S	S	*	.	H	α-helix	trans	-66.3	-46.5	-178.7	-62.5	-31.2	0	0	0	112.9	N392 W396 Y397 D398	N392-D394 PolarHBondContact O-N 3.01Å; N392-D394 PolarHBondContact OD1-N 3.05Å; D394-W396 PolarHBondContact O-N 2.84Å; D394-Y397 PolarHBondContact O-N 2.88Å; D394-D398 WeakPolarHBondContact O-CB 3.17Å; D394-D398 PolarHBondContact O-N 2.85Å
395	E	66.7	Low	61.3	Low	26 Å²	26	56 Å²	56	12%	0.121	31%	0.307	C	S	.	.	H	α-helix	trans	-61.5	-35.8	173.6	-75	172.3	176.8	0	0	111.4	L391 N392 A399	L391-E395 HydrophobicContact CD2-CB 3.85Å; N392-E395 VanDerWaalsContact ND2-CD 3.27Å; N392-E395 PolarHBondContact ND2-OE1 3.06Å; N392-E395 PolarHBondContact O-N 3.13Å; N392-E395 WeakPolarHBondContact OD1-CB 3.44Å; N392-E395 VanDerWaalsContact OD1-CG 3.3Å; N392-E395 WeakPolarHBondContact OD1-CG 3.45Å; N392-E395 PolarHBondContact OD1-N 2.92Å; E395-A399 VanDerWaalsContact O-CB 3.27Å; E395-A399 WeakPolarHBondContact O-CB 3.22Å; E395-A399 PolarHBondContact O-N 2.99Å
396	W	64.1	Low	63.1	Low	37 Å²	37	57.2 Å²	57.2	14%	0.14	31%	0.311	C	S	.	.	H	α-helix	trans	-68	-43.9	176.3	-165.7	102.7	0	0	0	111.2	L391 N392 E393 D394 A399 V400 V664	L391-W396 HydrophobicContact CB-CB 4.41Å; N392-W396 WeakPolarHBondContact O-CB 3.47Å; N392-W396 PolarHBondContact O-N 2.81Å; E393-W396 WeakPolarHBondContact O-CB 3.23Å; E393-W396 PolarHBondContact O-N 2.73Å; D394-W396 PolarHBondContact O-N 2.84Å; W396-A399 WeakPolarHBondContact O-CB 3.43Å; W396-A399 PolarHBondContact O-N 3.39Å; W396-V400 HydrophobicContact CD2-CG2 4.26Å; W396-V400 HydrophobicContact CE3-CG2 3.68Å; W396-V400 HydrophobicContact CH2-CG2 3.48Å; W396-V400 VanDerWaalsContact CH2-CG2 3.48Å; W396-V400 HydrophobicContact CZ2-CG2 4.12Å; W396-V400 HydrophobicContact CZ3-CB 4.08Å; W396-V400 HydrophobicContact CZ3-CG2 3.15Å; W396-V400 PolarHBondContact O-N 3.44Å; W396-V664 HydrophobicContact CE3-CG2 3.78Å; W396-V664 HydrophobicContact CH2-CB 3.56Å; W396-V664 HydrophobicContact CH2-CG1 3.37Å; W396-V664 HydrophobicContact CH2-CG2 3.43Å; W396-V664 VanDerWaalsContact CH2-CG2 3.43Å; W396-V664 HydrophobicContact CZ3-CB 3.52Å; W396-V664 HydrophobicContact CZ3-CG1 3.33Å; W396-V664 HydrophobicContact CZ3-CG2 2.96Å
397	Y	67.7	Low	65.1	Low	77 Å²	77	56 Å²	56	30%	0.302	30%	0.295	S	S	.	.	H	α-helix	trans	-63.6	-45.5	175.4	-70.1	-61.6	0	0	0	111.4	E393 D394 A399 V400 D401 S663 V664	E393-Y397 VanDerWaalsContact C-CD2 3.48Å; E393-Y397 HydrophobicContact CB-CD2 4.23Å; E393-Y397 HydrophobicContact CB-CE2 3.77Å; E393-Y397 WeakPolarHBondContact O-CD2 3.42Å; E393-Y397 PolarHBondContact O-N 3.44Å; D394-Y397 PolarHBondContact O-N 2.88Å; Y397-A399 PolarHBondContact O-N 2.81Å; Y397-V400 PolarHBondContact O-N 2.8Å; Y397-D401 PolarHBondContact O-N 2.85Å; Y397-S663 PolarHBondContact OH-OG 2.8Å; Y397-V664 HydrophobicContact CD1-CG2 3.98Å; Y397-V664 HydrophobicContact CE1-CG2 3.44Å; Y397-V664 VanDerWaalsContact CE1-CG2 3.44Å
398	D	71.7	Confident	67	Low	28 Å²	28	51.5 Å²	51.5	15%	0.15	26%	0.264	C	S	.	.	H	α-helix	trans	-56.4	-39.2	173.2	-88.6	-4.7	0	0	0	111.5	K107 Y129 D394 A402	K107-D398 IonicContact NZ-OD2 3.32Å; K107-D398 PolarHBondContact NZ-OD2 2.96Å; Y129-D398 PolarHBondContact OH-OD1 3.16Å; Y129-D398 PolarHBondContact OH-OD2 3.4Å; D394-D398 WeakPolarHBondContact O-CB 3.17Å; D394-D398 PolarHBondContact O-N 2.85Å; D398-A402 VanDerWaalsContact O-CB 3.27Å; D398-A402 WeakPolarHBondContact O-CB 3.34Å; D398-A402 PolarHBondContact O-N 3.44Å
399	A	70.7	Confident	68.8	Low	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-67.6	-41.6	177.8	0	0	0	0	0	113.5	N110 H113 E395 W396 Y397 A403 P566	N110-A399 HydrophobicContact CB-CB 3.98Å; N110-A399 WeakPolarHBondContact ND2-CA 3.27Å; N110-A399 WeakPolarHBondContact ND2-CB 3.17Å; H113-A399 PolarHBondContact CE1-O 3Å; H113-A399 PolarHBondContact ND1-O 3.19Å; E395-A399 VanDerWaalsContact O-CB 3.27Å; E395-A399 WeakPolarHBondContact O-CB 3.22Å; E395-A399 PolarHBondContact O-N 2.99Å; W396-A399 WeakPolarHBondContact O-CB 3.43Å; W396-A399 PolarHBondContact O-N 3.39Å; Y397-A399 PolarHBondContact O-N 2.81Å; A399-A403 WeakPolarHBondContact O-CB 3.28Å; A399-A403 PolarHBondContact O-N 3.43Å; A399-P566 HydrophobicContact CB-CG 3.97Å
400	V	69.9	Low	70.3	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.024	26%	0.255	C	S	.	.	H	α-helix	trans	-65.3	-48.1	176	170.8	0	0	0	0	110.5	W396 Y397 A402 A403 L404 W565 V664 V668	W396-V400 HydrophobicContact CD2-CG2 4.26Å; W396-V400 HydrophobicContact CE3-CG2 3.68Å; W396-V400 HydrophobicContact CH2-CG2 3.48Å; W396-V400 VanDerWaalsContact CH2-CG2 3.48Å; W396-V400 HydrophobicContact CZ2-CG2 4.12Å; W396-V400 HydrophobicContact CZ3-CB 4.08Å; W396-V400 HydrophobicContact CZ3-CG2 3.15Å; W396-V400 PolarHBondContact O-N 3.44Å; Y397-V400 PolarHBondContact O-N 2.8Å; V400-A402 VanDerWaalsContact C-N 3.35Å; V400-A402 PolarHBondContact O-N 3.49Å; V400-A403 WeakPolarHBondContact O-CB 3.37Å; V400-A403 PolarHBondContact O-N 2.96Å; V400-L404 HydrophobicContact CG1-CD1 3.58Å; V400-L404 HydrophobicContact CG1-CG 4.1Å; V400-L404 WeakPolarHBondContact O-CB 3.13Å; V400-L404 WeakPolarHBondContact O-CG 3.46Å; V400-L404 PolarHBondContact O-N 2.99Å; V400-W565 HydrophobicContact CG2-CB 3.63Å; V400-V664 HydrophobicContact CG1-CG1 4.11Å; V400-V664 HydrophobicContact CG2-CG1 4.37Å; V400-V668 HydrophobicContact CG1-CG2 4.34Å
401	D	76.4	Confident	71.7	Confident	55 Å²	55	47.6 Å²	47.6	29%	0.294	23%	0.233	S	C	.	.	H	α-helix	trans	-60.2	-44.2	178.8	-87.3	3.9	0	0	0	111.9	R141 Y397 A403 L404 E405	R141-D401 IonicContact CZ-OD2 3.61Å; R141-D401 IonicContact NH1-OD2 3.62Å; R141-D401 PolarHBondContact NH1-OD2 2.9Å; Y397-D401 PolarHBondContact O-N 2.85Å; D401-A403 PolarHBondContact O-N 3.15Å; D401-L404 WeakPolarHBondContact O-CB 3.22Å; D401-L404 PolarHBondContact O-N 3Å; D401-E405 WeakPolarHBondContact O-CB 3.28Å; D401-E405 VanDerWaalsContact O-CG 3.25Å; D401-E405 WeakPolarHBondContact O-CG 3.16Å; D401-E405 PolarHBondContact O-N 3.22Å
402	A	75.7	Confident	72.8	Confident	3 Å²	3	53.9 Å²	53.9	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-63.1	-38.8	176.1	0	0	0	0	0	113	H113 D398 V400 L404 E405 K406	H113-A402 HydrophobicContact CB-CB 3.99Å; D398-A402 VanDerWaalsContact O-CB 3.27Å; D398-A402 WeakPolarHBondContact O-CB 3.34Å; D398-A402 PolarHBondContact O-N 3.44Å; V400-A402 VanDerWaalsContact C-N 3.35Å; V400-A402 PolarHBondContact O-N 3.49Å; A402-L404 VanDerWaalsContact C-N 3.35Å; A402-E405 PolarHBondContact O-N 3.08Å; A402-K406 WeakPolarHBondContact O-CB 3.25Å; A402-K406 PolarHBondContact O-N 3.45Å
403	A	73.4	Confident	73.4	Confident	13 Å²	13	59.3 Å²	59.3	11%	0.107	27%	0.27	C	S	.	.	H	α-helix	trans	-63.4	-46.4	177.5	0	0	0	0	0	111.8	H113 A399 V400 D401 K406 K407 V564	H113-A403 PolarHBondContact CD2-N 3.43Å; H113-A403 VanDerWaalsContact CE1-CB 3.45Å; H113-A403 WeakPolarHBondContact CE1-CB 3.19Å; H113-A403 WeakPolarHBondContact NE2-CA 3.37Å; H113-A403 WeakPolarHBondContact NE2-CB 3.07Å; H113-A403 PolarHBondContact NE2-N 2.97Å; A399-A403 WeakPolarHBondContact O-CB 3.28Å; A399-A403 PolarHBondContact O-N 3.43Å; V400-A403 WeakPolarHBondContact O-CB 3.37Å; V400-A403 PolarHBondContact O-N 2.96Å; D401-A403 PolarHBondContact O-N 3.15Å; A403-K406 PolarHBondContact O-N 2.99Å; A403-K407 WeakPolarHBondContact O-CB 3.43Å; A403-K407 PolarHBondContact O-N 3.16Å; A403-V564 WeakPolarHBondContact CB-O 3.39Å
404	L	77.2	Confident	73.9	Confident	4 Å²	4	55.7 Å²	55.7	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-64.6	-39.5	179.8	-82.3	-173.3	0	0	0	111.7	V400 D401 A402 D408 V564 V668 R671	V400-L404 HydrophobicContact CG1-CD1 3.58Å; V400-L404 HydrophobicContact CG1-CG 4.1Å; V400-L404 WeakPolarHBondContact O-CB 3.13Å; V400-L404 WeakPolarHBondContact O-CG 3.46Å; V400-L404 PolarHBondContact O-N 2.99Å; D401-L404 WeakPolarHBondContact O-CB 3.22Å; D401-L404 PolarHBondContact O-N 3Å; A402-L404 VanDerWaalsContact C-N 3.35Å; L404-D408 PolarHBondContact O-N 3.28Å; L404-V564 HydrophobicContact CD2-CB 4.16Å; L404-V564 HydrophobicContact CD2-CG1 3.76Å; L404-V668 HydrophobicContact CD1-CG2 4.31Å; L404-R671 VanDerWaalsContact CB-CZ 3.46Å; L404-R671 VanDerWaalsContact CB-NH1 3.32Å; L404-R671 VanDerWaalsContact CD1-CZ 3.42Å
405	E	79.5	Confident	74	Confident	39 Å²	39	54 Å²	54	18%	0.182	24%	0.244	C	C	.	.	H	α-helix	trans	-68.3	-44.1	174.2	-76.3	177.1	172.8	0	0	112.9	R118 K131 R141 D401 A402 K407 D408 L409	R118-E405 IonicContact NH2-OE2 2.67Å; K131-E405 WeakPolarHBondContact CD-OE1 3.37Å; K131-E405 WeakPolarHBondContact CE-OE1 3.22Å; K131-E405 IonicContact NZ-OE1 2.74Å; K131-E405 PolarHBondContact NZ-OE1 2.8Å; R141-E405 IonicContact NH2-OE1 3.15Å; D401-E405 WeakPolarHBondContact O-CB 3.28Å; D401-E405 VanDerWaalsContact O-CG 3.25Å; D401-E405 WeakPolarHBondContact O-CG 3.16Å; D401-E405 PolarHBondContact O-N 3.22Å; A402-E405 PolarHBondContact O-N 3.08Å; E405-K407 VanDerWaalsContact C-N 3.3Å; E405-K407 PolarHBondContact O-N 3.31Å; E405-D408 WeakPolarHBondContact O-CB 3.42Å; E405-D408 PolarHBondContact O-N 3.21Å; E405-D408 VanDerWaalsContact O-N 3.13Å; E405-L409 PolarHBondContact O-N 3.43Å
406	K	78.5	Confident	74.3	Confident	112 Å²	112	60.2 Å²	60.2	49%	0.487	27%	0.266	S	S	.	.	H	α-helix	trans	-59.8	-44.3	175.1	179.6	-179.8	173.8	-176.7	0	110.8	A402 A403 D408 L409 E410	A402-K406 WeakPolarHBondContact O-CB 3.25Å; A402-K406 PolarHBondContact O-N 3.45Å; A403-K406 PolarHBondContact O-N 2.99Å; K406-D408 VanDerWaalsContact C-N 3.31Å; K406-D408 PolarHBondContact O-N 3.46Å; K406-L409 PolarHBondContact O-N 2.82Å; K406-E410 WeakPolarHBondContact CE-OE1 3.4Å; K406-E410 WeakPolarHBondContact O-CG 3.43Å; K406-E410 PolarHBondContact O-N 3.21Å
407	K	78.1	Confident	74.6	Confident	13 Å²	13	63.5 Å²	63.5	6%	0.057	29%	0.286	C	S	.	.	H	α-helix	trans	-57.5	-44.6	173.3	174.8	-175.9	165	73.7	0	111	A403 E405 L409 E410 D411 T539 V564	A403-K407 WeakPolarHBondContact O-CB 3.43Å; A403-K407 PolarHBondContact O-N 3.16Å; E405-K407 VanDerWaalsContact C-N 3.3Å; E405-K407 PolarHBondContact O-N 3.31Å; K407-L409 VanDerWaalsContact C-N 3.32Å; K407-L409 PolarHBondContact O-N 2.87Å; K407-E410 PolarHBondContact O-N 3.49Å; K407-D411 IonicContact NZ-OD2 3.78Å; K407-D411 VanDerWaalsContact O-CB 3.23Å; K407-D411 WeakPolarHBondContact O-CB 3.25Å; K407-D411 PolarHBondContact O-N 3.01Å; K407-T539 PolarHBondContact NZ-O 3.08Å; K407-V564 HydrophobicContact CD-CG1 3.34Å
408	D	79.6	Confident	74.5	Confident	39 Å²	39	62.9 Å²	62.9	21%	0.209	29%	0.287	C	S	.	.	H	α-helix	trans	-61.2	-40.5	177.6	-69.8	-23.5	0	0	0	112.4	L404 E405 K406 D411 R412 R671 K675	L404-D408 PolarHBondContact O-N 3.28Å; E405-D408 WeakPolarHBondContact O-CB 3.42Å; E405-D408 PolarHBondContact O-N 3.21Å; E405-D408 VanDerWaalsContact O-N 3.13Å; K406-D408 VanDerWaalsContact C-N 3.31Å; K406-D408 PolarHBondContact O-N 3.46Å; D408-D411 PolarHBondContact O-N 2.86Å; D408-R412 WeakPolarHBondContact O-CB 3.49Å; D408-R412 VanDerWaalsContact O-CG 3.29Å; D408-R412 WeakPolarHBondContact O-CG 3.33Å; D408-R412 PolarHBondContact O-N 2.87Å; D408-R671 IonicContact OD1-NH2 3.16Å; D408-R671 IonicContact OD2-NH2 2.8Å; D408-K675 IonicContact OD1-NZ 2.96Å; D408-K675 PolarHBondContact OD1-NZ 3.39Å
409	L	78.2	Confident	74	Confident	116 Å²	116	65.9 Å²	65.9	61%	0.607	31%	0.311	S	S	*	.	H	α-helix	trans	-66.3	-43.8	176.5	-178.6	61.5	0	0	0	112	E405 K406 K407 R412 R413	E405-L409 PolarHBondContact O-N 3.43Å; K406-L409 PolarHBondContact O-N 2.82Å; K407-L409 VanDerWaalsContact C-N 3.32Å; K407-L409 PolarHBondContact O-N 2.87Å; L409-R412 PolarHBondContact O-N 2.84Å; L409-R413 WeakPolarHBondContact O-CB 3.48Å; L409-R413 PolarHBondContact O-N 3.47Å
410	E	77.1	Confident	73.3	Confident	92 Å²	92	75.8 Å²	75.8	43%	0.43	35%	0.348	S	S	.	.	H	α-helix	trans	-63.2	-42.3	174.8	-73.4	178.7	-177.2	0	0	111.5	K406 K407 R413 L414	K406-E410 WeakPolarHBondContact CE-OE1 3.4Å; K406-E410 WeakPolarHBondContact O-CG 3.43Å; K406-E410 PolarHBondContact O-N 3.21Å; K407-E410 PolarHBondContact O-N 3.49Å; E410-R413 WeakPolarHBondContact O-CB 3.3Å; E410-R413 PolarHBondContact O-N 3.5Å; E410-R413 VanDerWaalsContact O-N 3.13Å; E410-L414 WeakPolarHBondContact O-CB 3.39Å; E410-L414 PolarHBondContact O-N 3.26Å
411	D	75.8	Confident	72.2	Confident	3 Å²	3	80 Å²	80	2%	0.016	37%	0.374	C	S	.	.	H	α-helix	trans	-61.1	-46.2	177.8	-74.7	-2	0	0	0	111.2	K407 D408 R413 L414 E415 T539 K675	K407-D411 IonicContact NZ-OD2 3.78Å; K407-D411 VanDerWaalsContact O-CB 3.23Å; K407-D411 WeakPolarHBondContact O-CB 3.25Å; K407-D411 PolarHBondContact O-N 3.01Å; D408-D411 PolarHBondContact O-N 2.86Å; D411-R413 VanDerWaalsContact C-N 3.28Å; D411-R413 PolarHBondContact O-N 2.96Å; D411-L414 PolarHBondContact O-N 3.15Å; D411-E415 WeakPolarHBondContact O-CB 3.39Å; D411-E415 PolarHBondContact O-N 3.25Å; D411-T539 HydrophobicContact CB-CG2 4.15Å; D411-T539 VanDerWaalsContact CG-CB 3.41Å; D411-T539 WeakPolarHBondContact OD1-CB 3.2Å; D411-T539 WeakPolarHBondContact OD1-CG2 3.31Å; D411-T539 PolarHBondContact OD1-OG1 3.03Å; D411-T539 WeakPolarHBondContact OD2-CB 3.09Å; D411-T539 PolarHBondContact OD2-OG1 3.31Å; D411-K675 IonicContact OD2-NZ 3.38Å; D411-K675 PolarHBondContact OD2-NZ 2.88Å
412	R	77.6	Confident	71	Confident	166 Å²	166	83.3 Å²	83.3	63%	0.626	40%	0.398	S	S	*	.	H	α-helix	trans	-65.4	-30.8	175	-73	176.1	-175	-175.5	3.3	112.3	D408 L409 R416	D408-R412 WeakPolarHBondContact O-CB 3.49Å; D408-R412 VanDerWaalsContact O-CG 3.29Å; D408-R412 WeakPolarHBondContact O-CG 3.33Å; D408-R412 PolarHBondContact O-N 2.87Å; L409-R412 PolarHBondContact O-N 2.84Å; R412-R416 WeakPolarHBondContact O-CG 3.43Å; R412-R416 PolarHBondContact O-N 2.94Å; R412-R416 PolarHBondContact O-NE 3.45Å
413	R	74.5	Confident	69.9	Low	166 Å²	166	85.9 Å²	85.9	63%	0.626	41%	0.414	S	S	*	.	H	α-helix	trans	-72.6	-44.7	175	-175.3	-179.5	179.3	177	0.1	110.9	L409 E410 D411 R416 L417	L409-R413 WeakPolarHBondContact O-CB 3.48Å; L409-R413 PolarHBondContact O-N 3.47Å; E410-R413 WeakPolarHBondContact O-CB 3.3Å; E410-R413 PolarHBondContact O-N 3.5Å; E410-R413 VanDerWaalsContact O-N 3.13Å; D411-R413 VanDerWaalsContact C-N 3.28Å; D411-R413 PolarHBondContact O-N 2.96Å; R413-R416 PolarHBondContact O-N 3.02Å; R413-L417 WeakPolarHBondContact O-CG 3.45Å; R413-L417 PolarHBondContact O-N 3.28Å
414	L	71	Confident	68.8	Low	63 Å²	63	91.6 Å²	91.6	33%	0.33	45%	0.447	S	S	.	.	H	α-helix	trans	-64.2	-42.3	178.6	-175.5	63.5	0	0	0	111.3	E410 D411 R416 L417 L418	E410-L414 WeakPolarHBondContact O-CB 3.39Å; E410-L414 PolarHBondContact O-N 3.26Å; D411-L414 PolarHBondContact O-N 3.15Å; L414-R416 VanDerWaalsContact C-N 3.33Å; L414-R416 PolarHBondContact O-N 2.77Å; L414-L417 WeakPolarHBondContact O-CB 3.46Å; L414-L417 PolarHBondContact O-N 2.81Å; L414-L418 HydrophobicContact CD1-CD1 4.35Å; L414-L418 HydrophobicContact CD1-CG 4.28Å; L414-L418 HydrophobicContact CD2-CD1 4.4Å; L414-L418 HydrophobicContact CG-CD1 3.91Å; L414-L418 HydrophobicContact CG-CG 4.26Å; L414-L418 WeakPolarHBondContact O-CG 3.32Å; L414-L418 PolarHBondContact O-N 2.86Å
415	E	70.5	Confident	67.6	Low	79 Å²	79	92.3 Å²	92.3	37%	0.369	45%	0.452	S	S	.	.	H	α-helix	trans	-57.4	-44.8	175.8	-176.1	172.6	-159.1	0	0	112.2	D411 L417 L418 S419	D411-E415 WeakPolarHBondContact O-CB 3.39Å; D411-E415 PolarHBondContact O-N 3.25Å; E415-L417 VanDerWaalsContact C-N 3.28Å; E415-L417 PolarHBondContact O-N 2.93Å; E415-L418 PolarHBondContact O-N 3.36Å; E415-S419 PolarHBondContact O-N 2.84Å
416	R	73.9	Confident	66.4	Low	155 Å²	155	98.9 Å²	98.9	59%	0.585	48%	0.48	S	S	*	.	H	α-helix	trans	-60.4	-35.5	173.9	-76.2	179	-76.1	143.6	-11.2	112.9	R412 R413 L414 S419	R412-R416 WeakPolarHBondContact O-CG 3.43Å; R412-R416 PolarHBondContact O-N 2.94Å; R412-R416 PolarHBondContact O-NE 3.45Å; R413-R416 PolarHBondContact O-N 3.02Å; L414-R416 VanDerWaalsContact C-N 3.33Å; L414-R416 PolarHBondContact O-N 2.77Å; R416-S419 PolarHBondContact O-OG 2.94Å
417	L	70.6	Confident	65.2	Low	106 Å²	106	95.2 Å²	95.2	56%	0.555	47%	0.465	S	S	*	.	H	α-helix	trans	-74	-43.1	177.5	-66.6	170.7	0	0	0	112	R413 L414 E415 R420	R413-L417 WeakPolarHBondContact O-CG 3.45Å; R413-L417 PolarHBondContact O-N 3.28Å; L414-L417 WeakPolarHBondContact O-CB 3.46Å; L414-L417 PolarHBondContact O-N 2.81Å; E415-L417 VanDerWaalsContact C-N 3.28Å; E415-L417 PolarHBondContact O-N 2.93Å; L417-R420 PolarHBondContact O-N 2.82Å
418	L	65	Low	64.1	Low	64 Å²	64	100.1 Å²	100.1	34%	0.335	48%	0.483	S	S	.	.	H	α-helix	trans	-68.9	-32.7	-178.4	-70.5	175.5	0	0	0	112.8	L414 E415 R420 T421 D536	L414-L418 HydrophobicContact CD1-CD1 4.35Å; L414-L418 HydrophobicContact CD1-CG 4.28Å; L414-L418 HydrophobicContact CD2-CD1 4.4Å; L414-L418 HydrophobicContact CG-CD1 3.91Å; L414-L418 HydrophobicContact CG-CG 4.26Å; L414-L418 WeakPolarHBondContact O-CG 3.32Å; L414-L418 PolarHBondContact O-N 2.86Å; E415-L418 PolarHBondContact O-N 3.36Å; L418-R420 PolarHBondContact O-N 2.85Å; L418-T421 PolarHBondContact O-N 3.44Å; L418-T421 VanDerWaalsContact O-N 3.13Å; L418-D536 WeakPolarHBondContact CD1-O 3.43Å
419	S	61.6	Low	62.8	Low	92 Å²	92	102 Å²	102	64%	0.643	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-15	176.9	70.7	0	0	0	0	114.7	E415 R416	E415-S419 PolarHBondContact O-N 2.84Å; R416-S419 PolarHBondContact O-OG 2.94Å
420	R	54.7	Low	61.7	Low	208 Å²	208	97.2 Å²	97.2	79%	0.785	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-9	-177.5	-61.2	179.2	69.3	97.6	-1.4	114.6	L417 L418	L417-R420 PolarHBondContact O-N 2.82Å; L418-R420 PolarHBondContact O-N 2.85Å
421	T	48	Very low	60.4	Low	92 Å²	92	100.2 Å²	100.2	56%	0.564	49%	0.489	S	S	*	.			trans	-110.3	112.3	-172.1	-41.1	0	0	0	0	111.4	L418 T423	L418-T421 PolarHBondContact O-N 3.44Å; L418-T421 VanDerWaalsContact O-N 3.13Å; T421-T423 PolarHBondContact O-N 3.46Å; T421-T423 VanDerWaalsContact O-N 3.13Å
422	P	51.2	Low	59.2	Low	124 Å²	124	109 Å²	109	81%	0.805	52%	0.522	S	S	*	.			trans	-73.7	104.1	173.2	26	-29.4	0	0	0	110.5
423	T	52.4	Low	58.2	Low	57 Å²	57	101.6 Å²	101.6	35%	0.35	50%	0.495	S	S	.	.			trans	-79.3	122.5	170.5	-31	0	0	0	0	109.9	T421 V425 K687	T421-T423 PolarHBondContact O-N 3.46Å; T421-T423 VanDerWaalsContact O-N 3.13Å; T423-V425 PolarHBondContact O-N 2.93Å; T423-K687 PolarHBondContact OG1-NZ 3.33Å
424	V	49.5	Very low	56.8	Low	134 Å²	134	95.5 Å²	95.5	81%	0.812	48%	0.476	S	S	*	.			trans	-73.2	121.8	167.9	-179.5	0	0	0	0	108
425	V	52.5	Low	55.5	Low	19 Å²	19	96.4 Å²	96.4	12%	0.115	48%	0.481	C	S	.	.			trans	-107.1	135.6	179.4	168.6	0	0	0	0	108.7	T423 Y527 Y533 R691	T423-V425 PolarHBondContact O-N 2.93Å; V425-Y527 HydrophobicContact CG1-CE1 4.05Å; V425-Y527 HydrophobicContact CG2-CE1 4.12Å; V425-Y533 WeakPolarHBondContact CG1-OH 3.41Å; V425-Y533 HydrophobicContact CG2-CE1 4.05Å; V425-R691 VanDerWaalsContact CB-NH1 3.27Å
426	K	53.6	Low	53.8	Low	177 Å²	177	96.4 Å²	96.4	77%	0.77	49%	0.488	S	S	*	.			trans	-109.3	107.3	161.6	-74.4	-177.4	179	177.4	0	107.7	R428	K426-R428 PolarHBondContact O-N 3.44Å
427	L	53.1	Low	52	Low	35 Å²	35	97 Å²	97	18%	0.183	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-63.5	126	167.9	-140.5	85.3	0	0	0	107.4	E523 H526 Y527 Q694	L427-E523 HydrophobicContact CD2-CG 4.36Å; L427-H526 HydrophobicContact CD1-CB 3.93Å; L427-H526 WeakPolarHBondContact CD1-CD2 3.24Å; L427-H526 HydrophobicContact CG-CB 4.24Å; L427-Y527 HydrophobicContact CD1-CE2 4.43Å; L427-Q694 HydrophobicContact CD2-CB 4.1Å
428	R	56.5	Low	50.5	Low	115 Å²	115	95.4 Å²	95.4	43%	0.434	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-75.3	136.8	172.7	-70.1	-168.9	-174.5	-159.3	0.6	108.6	K426 L430 H526 E530	K426-R428 PolarHBondContact O-N 3.44Å; R428-L430 PolarHBondContact O-N 3.5Å; R428-H526 PolarHBondContact N-CE1 3.21Å; R428-E530 VanDerWaalsContact CD-OE1 3.3Å; R428-E530 WeakPolarHBondContact CD-OE1 3.42Å; R428-E530 IonicContact NE-OE1 2.77Å; R428-E530 PolarHBondContact NE-OE1 2.97Å
429	S	52.6	Low	49.3	Very low	78 Å²	78	95.8 Å²	95.8	55%	0.545	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-61	121.1	171.5	175.6	0	0	0	0	109.6	E431	S429-E431 PolarHBondContact O-N 3.46Å; S429-E431 WeakPolarHBondContact OG-CB 3.4Å; S429-E431 WeakPolarHBondContact OG-CG 3.27Å; S429-E431 PolarHBondContact OG-N 3.44Å; S429-E431 PolarHBondContact OG-OE2 2.88Å
430	L	54.2	Low	48.4	Very low	17 Å²	17	94.6 Å²	94.6	9%	0.089	50%	0.5	C	S	.	.	G	3₁₀ helix	trans	-77.2	3.7	177	-118	75.8	0	0	0	113.1	R428 R432 V433 I578 I596	R428-L430 PolarHBondContact O-N 3.5Å; L430-R432 PolarHBondContact O-N 2.83Å; L430-R432 VanDerWaalsContact O-N 3.09Å; L430-V433 HydrophobicContact CB-CG2 4.5Å; L430-V433 HydrophobicContact CG-CB 4.2Å; L430-V433 HydrophobicContact CG-CG2 3.86Å; L430-V433 VanDerWaalsContact O-CB 3.29Å; L430-V433 WeakPolarHBondContact O-CB 3.49Å; L430-V433 PolarHBondContact O-N 2.74Å; L430-I578 HydrophobicContact CD1-CD1 4.13Å; L430-I578 HydrophobicContact CD2-CD1 4.11Å; L430-I596 HydrophobicContact CD2-CD1 3.62Å; L430-I596 HydrophobicContact CD2-CG1 4.12Å; L430-I596 HydrophobicContact CD2-CG2 3.94Å
431	E	50.3	Low	47.9	Very low	154 Å²	154	87.7 Å²	87.7	72%	0.72	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-58.2	-23.9	179.4	-74.2	173.3	156.1	0	0	113.3	S429 V433 T434	S429-E431 PolarHBondContact O-N 3.46Å; S429-E431 WeakPolarHBondContact OG-CB 3.4Å; S429-E431 WeakPolarHBondContact OG-CG 3.27Å; S429-E431 PolarHBondContact OG-N 3.44Å; S429-E431 PolarHBondContact OG-OE2 2.88Å; E431-V433 VanDerWaalsContact C-N 3.28Å; E431-V433 PolarHBondContact O-N 2.89Å; E431-T434 PolarHBondContact O-OG1 3.03Å
432	R	50.2	Low	47.7	Very low	189 Å²	189	87.5 Å²	87.5	71%	0.713	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-82.2	-4.1	176.8	-63.9	-173.9	-168.1	175.4	2.3	114.3	L430 T434 D552	L430-R432 PolarHBondContact O-N 2.83Å; L430-R432 VanDerWaalsContact O-N 3.09Å; R432-T434 VanDerWaalsContact C-N 3.34Å; R432-D552 IonicContact NH1-OD2 2.56Å; R432-D552 PolarHBondContact NH1-OD2 2.77Å
433	V	55.6	Low	47.2	Very low	10 Å²	10	89.8 Å²	89.8	6%	0.061	49%	0.486	C	S	.	.	G	3₁₀ helix	trans	-92.3	0.8	-174.6	-176.7	0	0	0	0	111.7	L430 E431 D553 I578 R579	L430-V433 HydrophobicContact CB-CG2 4.5Å; L430-V433 HydrophobicContact CG-CB 4.2Å; L430-V433 HydrophobicContact CG-CG2 3.86Å; L430-V433 VanDerWaalsContact O-CB 3.29Å; L430-V433 WeakPolarHBondContact O-CB 3.49Å; L430-V433 PolarHBondContact O-N 2.74Å; E431-V433 VanDerWaalsContact C-N 3.28Å; E431-V433 PolarHBondContact O-N 2.89Å; V433-D553 HydrophobicContact CG2-CB 4.23Å; V433-I578 HydrophobicContact CG1-CG2 4.34Å; V433-I578 WeakPolarHBondContact CG1-O 3.44Å; V433-I578 HydrophobicContact CG2-CG2 4.3Å; V433-R579 WeakPolarHBondContact O-CD 3.49Å; V433-R579 PolarHBondContact O-NH1 2.79Å
434	T	46.5	Very low	46.5	Very low	38 Å²	38	92.4 Å²	92.4	23%	0.233	49%	0.494	C	S	.	.	S	Bend	trans	-92.1	126	174.1	54.1	0	0	0	0	110.9	E431 R432 P436 R580 Q582	E431-T434 PolarHBondContact O-OG1 3.03Å; R432-T434 VanDerWaalsContact C-N 3.34Å; T434-P436 WeakPolarHBondContact O-CD 3.23Å; T434-R580 HydrophobicContact CG2-CB 4.4Å; T434-Q582 HydrophobicContact CG2-CG 4.21Å; T434-Q582 VanDerWaalsContact CG2-NE2 3.33Å
435	L	44.2	Very low	46.2	Very low	81 Å²	81	92.3 Å²	92.3	42%	0.424	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-67.7	123.9	162.1	-73.3	169.4	0	0	0	107.9	I437	L435-I437 PolarHBondContact O-N 3.39Å
436	P	34	Very low	45.6	Very low	80 Å²	80	97.4 Å²	97.4	52%	0.519	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-55	133.1	177.5	-24	32.3	0	0	0	110.8	T434 G438 H439	T434-P436 WeakPolarHBondContact O-CD 3.23Å; P436-G438 PolarHBondContact O-N 2.96Å; P436-H439 HydrophobicContact CB-CB 4.42Å; P436-H439 WeakPolarHBondContact O-CB 3.34Å; P436-H439 PolarHBondContact O-N 3.41Å
437	I	36.4	Very low	44.6	Very low	167 Å²	167	96.2 Å²	96.2	86%	0.856	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	108.5	172.4	-61	168.8	0	0	0	107.3	L435	L435-I437 PolarHBondContact O-N 3.39Å
438	G	38.7	Very low	43.7	Very low	72 Å²	72	99.1 Å²	99.1	74%	0.742	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.4	10.9	-176.6	0	0	0	0	0	116.1	P436	P436-G438 PolarHBondContact O-N 2.96Å
439	H	40.5	Very low	42.7	Very low	73 Å²	73	99.8 Å²	99.8	34%	0.338	56%	0.555	S	S	.	*			trans	-59.2	132	171.8	-165.3	-86	0	0	0	110.1	P436 I441 A442	P436-H439 HydrophobicContact CB-CB 4.42Å; P436-H439 WeakPolarHBondContact O-CB 3.34Å; P436-H439 PolarHBondContact O-N 3.41Å; H439-I441 WeakPolarHBondContact CE1-CD1 3.38Å; H439-I441 WeakPolarHBondContact ND1-CB 3.48Å; H439-I441 WeakPolarHBondContact ND1-CG1 3.3Å; H439-I441 PolarHBondContact ND1-N 3.45Å; H439-I441 PolarHBondContact O-N 2.97Å; H439-A442 WeakPolarHBondContact O-CB 3.33Å; H439-A442 PolarHBondContact O-N 2.93Å
440	P	42.8	Very low	41.9	Very low	67 Å²	67	102.9 Å²	102.9	44%	0.435	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-51.8	-27.1	-177.3	-28.8	34.5	0	0	0	114	A442 Q443 E444	P440-A442 PolarHBondContact O-N 2.98Å; P440-A442 VanDerWaalsContact O-N 3.12Å; P440-Q443 CarbonylContact O-C 3.57Å; P440-Q443 WeakPolarHBondContact O-CA 3.28Å; P440-Q443 PolarHBondContact O-N 3.19Å; P440-E444 HydrophobicContact CB-CG 4.07Å; P440-E444 WeakPolarHBondContact CB-OE2 3.31Å; P440-E444 WeakPolarHBondContact O-CA 3.45Å; P440-E444 WeakPolarHBondContact O-CB 3.17Å; P440-E444 WeakPolarHBondContact O-CG 3.42Å; P440-E444 PolarHBondContact O-N 3.03Å
441	I	44.2	Very low	41	Very low	62 Å²	62	105.8 Å²	105.8	32%	0.318	59%	0.586	S	S	.	*	G	3₁₀ helix	trans	-54	-29.3	171.7	-70.4	172.7	0	0	0	113.8	H439 Q443 L462	H439-I441 WeakPolarHBondContact CE1-CD1 3.38Å; H439-I441 WeakPolarHBondContact ND1-CB 3.48Å; H439-I441 WeakPolarHBondContact ND1-CG1 3.3Å; H439-I441 PolarHBondContact ND1-N 3.45Å; H439-I441 PolarHBondContact O-N 2.97Å; I441-Q443 VanDerWaalsContact C-N 3.27Å; I441-Q443 PolarHBondContact O-N 3.07Å; I441-L462 HydrophobicContact CG2-CD2 3.73Å
442	A	42.4	Very low	40.7	Very low	89 Å²	89	106.3 Å²	106.3	74%	0.736	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-73.9	-16.5	173.9	0	0	0	0	0	113.4	H439 P440	H439-A442 WeakPolarHBondContact O-CB 3.33Å; H439-A442 PolarHBondContact O-N 2.93Å; P440-A442 PolarHBondContact O-N 2.98Å; P440-A442 VanDerWaalsContact O-N 3.12Å
443	Q	40.4	Very low	40.3	Very low	172 Å²	172	105.6 Å²	105.6	80%	0.804	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114	-24	177	-105.6	178.1	-14.6	0	0	113.8	P440 I441 V445	P440-Q443 CarbonylContact O-C 3.57Å; P440-Q443 WeakPolarHBondContact O-CA 3.28Å; P440-Q443 PolarHBondContact O-N 3.19Å; I441-Q443 VanDerWaalsContact C-N 3.27Å; I441-Q443 PolarHBondContact O-N 3.07Å; Q443-V445 VanDerWaalsContact C-N 3.26Å; Q443-V445 PolarHBondContact O-N 3.38Å
444	E	38.9	Very low	39.8	Very low	111 Å²	111	111.1 Å²	111.1	52%	0.519	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.2	20	-175.6	-81.8	-174	141.2	0	0	113.2	P440 N446	P440-E444 HydrophobicContact CB-CG 4.07Å; P440-E444 WeakPolarHBondContact CB-OE2 3.31Å; P440-E444 WeakPolarHBondContact O-CA 3.45Å; P440-E444 WeakPolarHBondContact O-CB 3.17Å; P440-E444 WeakPolarHBondContact O-CG 3.42Å; P440-E444 PolarHBondContact O-N 3.03Å; E444-N446 PolarHBondContact O-N 2.85Å; E444-N446 VanDerWaalsContact O-N 3.11Å
445	V	43.7	Very low	39.8	Very low	133 Å²	133	113.6 Å²	113.6	81%	0.806	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	-6.6	152.2	-178	0	0	0	0	110.3	Q443	Q443-V445 VanDerWaalsContact C-N 3.26Å; Q443-V445 PolarHBondContact O-N 3.38Å
446	N	38.8	Very low	40.2	Very low	125 Å²	125	119.9 Å²	119.9	67%	0.668	66%	0.657	S	S	*	*	S	Bend	trans	-130.6	125.5	166.9	-137.8	0.2	0	0	0	110.3	E444	E444-N446 PolarHBondContact O-N 2.85Å; E444-N446 VanDerWaalsContact O-N 3.11Å
447	M	32.9	Very low	41.3	Very low	152 Å²	152	120 Å²	120	75%	0.749	65%	0.653	S	S	*	*	S	Bend	trans	79.9	113.7	179.2	-123.5	136.7	64.1	0	0	113.2
448	T	33.6	Very low	42.7	Very low	96 Å²	96	115.2 Å²	115.2	59%	0.589	63%	0.631	S	S	*	*			cis	-165.5	132.3	44	-58.5	0	0	0	0	111.4	N450 F455	T448-N450 HydrophobicContact CG2-CB 4.47Å; T448-N450 PolarHBondContact O-N 3.03Å; T448-F455 VanDerWaalsContact O-CZ 3.26Å; T448-F455 WeakPolarHBondContact O-CZ 3.36Å
449	V	36.8	Very low	44.4	Very low	129 Å²	129	118.5 Å²	118.5	78%	0.782	63%	0.625	S	S	*	*			trans	-88.4	72.6	-178.2	176.9	0	0	0	0	111.9
450	N	35.5	Very low	46.2	Very low	143 Å²	143	117.5 Å²	117.5	77%	0.765	62%	0.62	S	S	*	*			trans	-153.4	34	-179.7	-110	-17.6	0	0	0	121	T448	T448-N450 HydrophobicContact CG2-CB 4.47Å; T448-N450 PolarHBondContact O-N 3.03Å
451	C	35.9	Very low	48	Very low	78 Å²	78	116.7 Å²	116.7	53%	0.527	61%	0.612	S	S	.	*			trans	-149.2	84	166.5	-91.1	0	0	0	0	112.2	L453 L454 F455	C451-L453 PolarHBondContact O-N 3.44Å; C451-L454 HydrophobicContact CB-CB 4.46Å; C451-L454 HydrophobicContact CB-CD1 4.34Å; C451-L454 PolarHBondContact O-N 3.29Å; C451-L454 VanDerWaalsContact O-N 3.11Å; C451-F455 WeakPolarHBondContact O-CD2 3.3Å; C451-F455 PolarHBondContact O-N 2.87Å
452	L	42.8	Very low	49.7	Very low	166 Å²	166	116.7 Å²	116.7	87%	0.869	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	-6.9	-165.4	-90.1	154.2	0	0	0	118.1
453	L	42.3	Very low	51.7	Low	174 Å²	174	117.7 Å²	117.7	91%	0.911	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.2	-21.6	174.1	-71.5	168.4	0	0	0	113.6	C451	C451-L453 PolarHBondContact O-N 3.44Å
454	L	45	Very low	54	Low	126 Å²	126	109.5 Å²	109.5	66%	0.66	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-19.5	169.8	-76.3	157.1	0	0	0	111.7	C451 T458	C451-L454 HydrophobicContact CB-CB 4.46Å; C451-L454 HydrophobicContact CB-CD1 4.34Å; C451-L454 PolarHBondContact O-N 3.29Å; C451-L454 VanDerWaalsContact O-N 3.11Å; L454-T458 PolarHBondContact O-N 3.2Å; L454-T458 PolarHBondContact O-OG1 3.19Å; L454-T458 VanDerWaalsContact O-OG1 3.05Å
455	F	46.5	Very low	56.3	Low	89 Å²	89	106.3 Å²	106.3	39%	0.39	55%	0.547	S	S	.	.	H	α-helix	trans	-72.4	-31.8	-172.6	-110.4	-92.9	0	0	0	115.9	T448 C451 F459	T448-F455 VanDerWaalsContact O-CZ 3.26Å; T448-F455 WeakPolarHBondContact O-CZ 3.36Å; C451-F455 WeakPolarHBondContact O-CD2 3.3Å; C451-F455 PolarHBondContact O-N 2.87Å; F455-F459 WeakPolarHBondContact O-CB 3.42Å; F455-F459 PolarHBondContact O-N 2.94Å
456	R	51.6	Low	58.3	Low	213 Å²	213	106 Å²	106	80%	0.804	54%	0.54	S	S	*	.	H	α-helix	trans	-63.7	-47	-178.3	-98.2	-178.7	70.8	149.1	-0.8	111.4	F460	R456-F460 VanDerWaalsContact O-CB 3.23Å; R456-F460 WeakPolarHBondContact O-CB 3.15Å; R456-F460 PolarHBondContact O-N 2.88Å
457	N	57.6	Low	60.8	Low	84 Å²	84	101.6 Å²	101.6	45%	0.449	52%	0.516	S	S	.	.	H	α-helix	trans	-69.4	-41.5	-179.8	-69.6	-2.8	0	0	0	110.9	F460 L461	N457-F460 PolarHBondContact O-N 2.9Å; N457-L461 VanDerWaalsContact O-CB 3.31Å; N457-L461 WeakPolarHBondContact O-CB 3.33Å; N457-L461 WeakPolarHBondContact O-CG 3.27Å; N457-L461 PolarHBondContact O-N 3.36Å
458	T	66.6	Low	63.6	Low	65 Å²	65	94.4 Å²	94.4	40%	0.399	48%	0.481	S	S	.	.	H	α-helix	trans	-63.2	-46.2	177.7	-49.7	0	0	0	0	112.5	L454 F460 L461 L462	L454-T458 PolarHBondContact O-N 3.2Å; L454-T458 PolarHBondContact O-OG1 3.19Å; L454-T458 VanDerWaalsContact O-OG1 3.05Å; T458-F460 VanDerWaalsContact C-N 3.35Å; T458-F460 PolarHBondContact O-N 3.3Å; T458-L461 PolarHBondContact O-N 2.91Å; T458-L462 HydrophobicContact CG2-CD1 4.17Å; T458-L462 WeakPolarHBondContact O-CB 3.32Å; T458-L462 VanDerWaalsContact O-CG 3.24Å; T458-L462 WeakPolarHBondContact O-CG 3.49Å; T458-L462 PolarHBondContact O-N 2.8Å
459	F	73.9	Confident	66.2	Low	141 Å²	141	94.6 Å²	94.6	62%	0.618	47%	0.474	S	S	*	.	H	α-helix	trans	-65.8	-39.5	178.4	-175	-95	0	0	0	112	F455 L462 K463	F455-F459 WeakPolarHBondContact O-CB 3.42Å; F455-F459 PolarHBondContact O-N 2.94Å; F459-L462 PolarHBondContact O-N 2.94Å; F459-K463 PolarHBondContact O-N 2.95Å
460	F	78.2	Confident	68.7	Low	52 Å²	52	93.9 Å²	93.9	23%	0.228	46%	0.462	C	S	.	.	H	α-helix	trans	-65	-44.9	177	-170.9	-117.1	0	0	0	111.8	R456 N457 T458 K463 I464 L550 I556 W575	R456-F460 VanDerWaalsContact O-CB 3.23Å; R456-F460 WeakPolarHBondContact O-CB 3.15Å; R456-F460 PolarHBondContact O-N 2.88Å; N457-F460 PolarHBondContact O-N 2.9Å; T458-F460 VanDerWaalsContact C-N 3.35Å; T458-F460 PolarHBondContact O-N 3.3Å; F460-K463 WeakPolarHBondContact O-CB 3.4Å; F460-K463 PolarHBondContact O-N 3.37Å; F460-I464 HydrophobicContact CD1-CD1 3.81Å; F460-I464 HydrophobicContact CE1-CD1 3.67Å; F460-I464 HydrophobicContact CZ-CD1 4.25Å; F460-I464 WeakPolarHBondContact O-CG1 3.29Å; F460-I464 PolarHBondContact O-N 3.5Å; F460-L550 HydrophobicContact CD1-CD1 3.92Å; F460-L550 HydrophobicContact CD1-CD2 4.45Å; F460-L550 HydrophobicContact CE1-CD1 3.58Å; F460-L550 HydrophobicContact CE1-CD2 4.43Å; F460-I556 HydrophobicContact CE1-CD1 4.47Å; F460-W575 AromaticContact CZ-CD1 3.73Å; F460-W575 HydrophobicContact CZ-CG 4.38Å
461	L	80.3	Confident	71.5	Confident	50 Å²	50	88.4 Å²	88.4	26%	0.262	43%	0.432	S	S	.	.	H	α-helix	trans	-63.5	-40.4	175	-70.6	170.9	0	0	0	112.1	N457 T458 K463 I464 E465 L550	N457-L461 VanDerWaalsContact O-CB 3.31Å; N457-L461 WeakPolarHBondContact O-CB 3.33Å; N457-L461 WeakPolarHBondContact O-CG 3.27Å; N457-L461 PolarHBondContact O-N 3.36Å; T458-L461 PolarHBondContact O-N 2.91Å; L461-K463 VanDerWaalsContact C-N 3.3Å; L461-K463 PolarHBondContact O-N 2.84Å; L461-I464 HydrophobicContact CD2-CD1 4.25Å; L461-I464 WeakPolarHBondContact O-CB 3.36Å; L461-I464 PolarHBondContact O-N 3.13Å; L461-I464 VanDerWaalsContact O-N 3.16Å; L461-E465 WeakPolarHBondContact O-CG 3.45Å; L461-E465 PolarHBondContact O-N 3.13Å; L461-L550 HydrophobicContact CD2-CB 4.26Å
462	L	79.6	Confident	74.1	Confident	63 Å²	63	84.8 Å²	84.8	33%	0.33	41%	0.407	S	S	.	.	H	α-helix	trans	-60.9	-38.6	173.3	-75	170	0	0	0	112.2	I441 T458 F459 E465 L466	I441-L462 HydrophobicContact CG2-CD2 3.73Å; T458-L462 HydrophobicContact CG2-CD1 4.17Å; T458-L462 WeakPolarHBondContact O-CB 3.32Å; T458-L462 VanDerWaalsContact O-CG 3.24Å; T458-L462 WeakPolarHBondContact O-CG 3.49Å; T458-L462 PolarHBondContact O-N 2.8Å; F459-L462 PolarHBondContact O-N 2.94Å; L462-E465 PolarHBondContact O-N 3.31Å; L462-L466 WeakPolarHBondContact O-CG 3.33Å; L462-L466 PolarHBondContact O-N 3.12Å
463	K	84.2	Confident	76.2	Confident	109 Å²	109	83.2 Å²	83.2	47%	0.474	39%	0.394	S	S	.	.	H	α-helix	trans	-66.2	-40.1	174.7	-173	-179.9	176.7	-173.6	0	111.4	F459 F460 L461 L466 L467	F459-K463 PolarHBondContact O-N 2.95Å; F460-K463 WeakPolarHBondContact O-CB 3.4Å; F460-K463 PolarHBondContact O-N 3.37Å; L461-K463 VanDerWaalsContact C-N 3.3Å; L461-K463 PolarHBondContact O-N 2.84Å; K463-L466 PolarHBondContact O-N 2.65Å; K463-L467 HydrophobicContact CG-CD1 4.04Å; K463-L467 HydrophobicContact CG-CG 4.5Å; K463-L467 WeakPolarHBondContact O-CB 3.44Å; K463-L467 WeakPolarHBondContact O-CG 3.44Å; K463-L467 PolarHBondContact O-N 2.76Å
464	I	88.8	Confident	78.6	Confident	1 Å²	1	77.5 Å²	77.5	1%	0.005	36%	0.36	C	S	.	.	H	α-helix	trans	-58.8	-46.8	174.7	-72.3	168.9	0	0	0	110.4	F460 L461 L467 T468 L550 W575 H577	F460-I464 HydrophobicContact CD1-CD1 3.81Å; F460-I464 HydrophobicContact CE1-CD1 3.67Å; F460-I464 HydrophobicContact CZ-CD1 4.25Å; F460-I464 WeakPolarHBondContact O-CG1 3.29Å; F460-I464 PolarHBondContact O-N 3.5Å; L461-I464 HydrophobicContact CD2-CD1 4.25Å; L461-I464 WeakPolarHBondContact O-CB 3.36Å; L461-I464 PolarHBondContact O-N 3.13Å; L461-I464 VanDerWaalsContact O-N 3.16Å; I464-L467 PolarHBondContact O-N 3.46Å; I464-T468 VanDerWaalsContact O-CB 3.28Å; I464-T468 WeakPolarHBondContact O-CB 3.35Å; I464-T468 PolarHBondContact O-N 3.4Å; I464-T468 PolarHBondContact O-OG1 3.18Å; I464-L550 HydrophobicContact CD1-CD1 3.91Å; I464-W575 HydrophobicContact CD1-CB 4.37Å; I464-W575 HydrophobicContact CD1-CD2 4.21Å; I464-W575 HydrophobicContact CD1-CG 4.15Å; I464-W575 HydrophobicContact CG1-CD2 3.77Å; I464-W575 HydrophobicContact CG1-CE3 4.09Å; I464-W575 HydrophobicContact CG1-CG 4.13Å; I464-W575 HydrophobicContact CG1-CH2 4.47Å; I464-W575 HydrophobicContact CG1-CZ2 4.14Å; I464-W575 HydrophobicContact CG1-CZ3 4.44Å; I464-W575 HydrophobicContact CG2-CE3 3.99Å; I464-W575 HydrophobicContact CG2-CH2 4.26Å; I464-W575 HydrophobicContact CG2-CZ3 3.87Å; I464-H577 HydrophobicContact CG2-CB 3.53Å
465	E	87.5	Confident	80.8	Confident	44 Å²	44	71.6 Å²	71.6	21%	0.206	33%	0.329	C	S	.	.	H	α-helix	trans	-59.8	-48.4	176.8	-71.2	-65.9	167.3	0	0	112.5	L461 L462 L467 T468 F469 H577 R579	L461-E465 WeakPolarHBondContact O-CG 3.45Å; L461-E465 PolarHBondContact O-N 3.13Å; L462-E465 PolarHBondContact O-N 3.31Å; E465-L467 PolarHBondContact O-N 3.35Å; E465-T468 PolarHBondContact O-N 2.71Å; E465-F469 WeakPolarHBondContact O-CB 3.4Å; E465-F469 PolarHBondContact O-N 2.9Å; E465-H577 IonicContact OE1-CE1 3.45Å; E465-H577 IonicContact OE1-NE2 2.85Å; E465-H577 PolarHBondContact OE1-NE2 2.67Å; E465-H577 IonicContact OE2-NE2 3.85Å; E465-R579 IonicContact OE1-CZ 3.38Å; E465-R579 IonicContact OE1-NE 2.61Å; E465-R579 PolarHBondContact OE1-NE 2.84Å; E465-R579 IonicContact OE1-NH2 2.68Å; E465-R579 PolarHBondContact OE1-NH2 3.45Å; E465-R579 IonicContact OE2-NE 3.65Å; E465-R579 PolarHBondContact OE2-NE 2.67Å
466	L	86.3	Confident	82.8	Confident	127 Å²	127	70.6 Å²	70.6	67%	0.665	33%	0.327	S	S	*	.	H	α-helix	trans	-61.4	-45.6	-179.3	-73.2	172.3	0	0	0	111.9	L462 K463 F469 E470	L462-L466 WeakPolarHBondContact O-CG 3.33Å; L462-L466 PolarHBondContact O-N 3.12Å; K463-L466 PolarHBondContact O-N 2.65Å; L466-F469 PolarHBondContact O-N 3.14Å; L466-E470 PolarHBondContact O-N 3.33Å
467	L	91.3	Very high	84.5	Confident	31 Å²	31	65.2 Å²	65.2	16%	0.162	31%	0.311	C	S	.	.	H	α-helix	trans	-67.1	-40.3	177.6	-73.8	172.8	0	0	0	111.5	K463 I464 E465 F469 E470 Q471 W575	K463-L467 HydrophobicContact CG-CD1 4.04Å; K463-L467 HydrophobicContact CG-CG 4.5Å; K463-L467 WeakPolarHBondContact O-CB 3.44Å; K463-L467 WeakPolarHBondContact O-CG 3.44Å; K463-L467 PolarHBondContact O-N 2.76Å; I464-L467 PolarHBondContact O-N 3.46Å; E465-L467 PolarHBondContact O-N 3.35Å; L467-F469 VanDerWaalsContact C-N 3.32Å; L467-F469 PolarHBondContact O-N 2.9Å; L467-E470 WeakPolarHBondContact O-CB 3.27Å; L467-E470 PolarHBondContact O-N 2.96Å; L467-Q471 WeakPolarHBondContact O-CG 3.14Å; L467-Q471 PolarHBondContact O-N 3.27Å; L467-W575 HydrophobicContact CB-CH2 4.05Å; L467-W575 HydrophobicContact CB-CZ2 4.11Å; L467-W575 HydrophobicContact CD1-CZ2 3.78Å
468	T	90.3	Very high	85.8	Confident	1 Å²	1	64 Å²	64	1%	0.006	32%	0.318	C	S	.	.	H	α-helix	trans	-59.3	-45.1	175.4	-60.9	0	0	0	0	110.8	I464 E465 E470 Q471 V472 H577 R579 V597 C599	I464-T468 VanDerWaalsContact O-CB 3.28Å; I464-T468 WeakPolarHBondContact O-CB 3.35Å; I464-T468 PolarHBondContact O-N 3.4Å; I464-T468 PolarHBondContact O-OG1 3.18Å; E465-T468 PolarHBondContact O-N 2.71Å; T468-E470 VanDerWaalsContact C-N 3.34Å; T468-E470 PolarHBondContact O-N 2.92Å; T468-Q471 PolarHBondContact O-N 2.98Å; T468-V472 WeakPolarHBondContact O-CG2 3.48Å; T468-V472 PolarHBondContact O-N 3.46Å; T468-H577 PolarHBondContact OG1-CD2 2.86Å; T468-H577 VanDerWaalsContact OG1-CD2 3.28Å; T468-R579 HydrophobicContact CG2-CB 4.47Å; T468-V597 HydrophobicContact CG2-CG1 3.57Å; T468-V597 HydrophobicContact CG2-CG2 4.29Å; T468-C599 HydrophobicContact CG2-CB 3.93Å
469	F	88.7	Confident	86.8	Confident	101 Å²	101	63.3 Å²	63.3	44%	0.443	31%	0.314	S	S	.	.	H	α-helix	trans	-62.7	-40.3	177	-168.9	-95.8	0	0	0	112.6	E465 L466 L467 V472 K473 M581 H583	E465-F469 WeakPolarHBondContact O-CB 3.4Å; E465-F469 PolarHBondContact O-N 2.9Å; L466-F469 PolarHBondContact O-N 3.14Å; L467-F469 VanDerWaalsContact C-N 3.32Å; L467-F469 PolarHBondContact O-N 2.9Å; F469-V472 PolarHBondContact O-N 3.11Å; F469-K473 PolarHBondContact O-N 3.47Å; F469-M581 HydrophobicContact CD2-CE 3.53Å; F469-M581 HydrophobicContact CE2-CE 3.75Å; F469-H583 AromaticContact CE2-NE2 3.55Å
470	E	89.6	Confident	87.3	Confident	114 Å²	114	62.7 Å²	62.7	53%	0.533	31%	0.313	S	S	.	.	H	α-helix	trans	-61.7	-43.3	174.7	-176.1	174.1	-162.1	0	0	111.7	L466 L467 T468 K473 Y474	L466-E470 PolarHBondContact O-N 3.33Å; L467-E470 WeakPolarHBondContact O-CB 3.27Å; L467-E470 PolarHBondContact O-N 2.96Å; T468-E470 VanDerWaalsContact C-N 3.34Å; T468-E470 PolarHBondContact O-N 2.92Å; E470-K473 WeakPolarHBondContact O-CB 3.49Å; E470-K473 PolarHBondContact O-N 3.11Å; E470-Y474 PolarHBondContact O-N 3.02Å
471	Q	93.9	Very high	87.1	Confident	28 Å²	28	69.8 Å²	69.8	13%	0.131	35%	0.347	C	S	.	.	H	α-helix	trans	-66.4	-37.4	176.9	-66.4	-51.6	-61.3	0	0	112.6	L467 T468 Y474 A475 T620 A622	L467-Q471 WeakPolarHBondContact O-CG 3.14Å; L467-Q471 PolarHBondContact O-N 3.27Å; T468-Q471 PolarHBondContact O-N 2.98Å; Q471-Y474 PolarHBondContact O-N 3.14Å; Q471-A475 WeakPolarHBondContact O-CB 3.15Å; Q471-A475 PolarHBondContact O-N 2.85Å; Q471-T620 HydrophobicContact CG-CG2 4.02Å; Q471-A622 HydrophobicContact CB-CB 3.7Å; Q471-A622 HydrophobicContact CG-CB 4.41Å
472	V	90.5	Very high	87	Confident	2 Å²	2	71.3 Å²	71.3	1%	0.012	38%	0.375	C	S	.	.	H	α-helix	trans	-62.1	-45.4	172.1	173.4	0	0	0	0	110.6	T468 F469 Y474 A475 M476 L584 L595 V597 V624	T468-V472 WeakPolarHBondContact O-CG2 3.48Å; T468-V472 PolarHBondContact O-N 3.46Å; F469-V472 PolarHBondContact O-N 3.11Å; V472-Y474 VanDerWaalsContact C-N 3.32Å; V472-Y474 PolarHBondContact O-N 3.42Å; V472-A475 PolarHBondContact O-N 3.01Å; V472-M476 HydrophobicContact CG1-CG 4.31Å; V472-M476 WeakPolarHBondContact O-CB 3.36Å; V472-M476 VanDerWaalsContact O-CG 3.22Å; V472-M476 WeakPolarHBondContact O-CG 3.15Å; V472-M476 PolarHBondContact O-N 3.09Å; V472-L584 HydrophobicContact CG1-CD1 3.71Å; V472-L595 HydrophobicContact CG1-CD2 4.31Å; V472-V597 HydrophobicContact CG2-CB 3.75Å; V472-V597 HydrophobicContact CG2-CG1 3.68Å; V472-V597 HydrophobicContact CG2-CG2 3.77Å; V472-V624 HydrophobicContact CG2-CG2 4.41Å
473	K	88.6	Confident	87.3	Confident	133 Å²	133	72.1 Å²	72.1	58%	0.578	38%	0.377	S	S	*	.	H	α-helix	trans	-59.7	-44	177	-176.5	-177.3	176.6	-173.5	0	111.3	F469 E470 M476 Q477	F469-K473 PolarHBondContact O-N 3.47Å; E470-K473 WeakPolarHBondContact O-CB 3.49Å; E470-K473 PolarHBondContact O-N 3.11Å; K473-M476 PolarHBondContact O-N 3.01Å; K473-Q477 WeakPolarHBondContact O-CG 3.31Å; K473-Q477 PolarHBondContact O-N 3.29Å
474	Y	90.7	Very high	87.7	Confident	54 Å²	54	68.2 Å²	68.2	21%	0.212	36%	0.359	C	S	.	.	H	α-helix	trans	-63.6	-45.6	176.6	-177.1	-111.4	0	0	0	112	E470 Q471 V472 M476 Q477 W484 V651	E470-Y474 PolarHBondContact O-N 3.02Å; Q471-Y474 PolarHBondContact O-N 3.14Å; V472-Y474 VanDerWaalsContact C-N 3.32Å; V472-Y474 PolarHBondContact O-N 3.42Å; Y474-M476 VanDerWaalsContact C-N 3.27Å; Y474-M476 PolarHBondContact O-N 3.45Å; Y474-Q477 WeakPolarHBondContact O-CB 3.17Å; Y474-Q477 PolarHBondContact O-N 3.13Å; Y474-W484 HydrophobicContact CE1-CH2 4.48Å; Y474-W484 HydrophobicContact CE2-CZ2 4.41Å; Y474-W484 AromaticContact CZ-CH2 3.96Å; Y474-W484 AromaticContact CZ-CZ2 3.96Å; Y474-W484 WeakPolarHBondContact OH-CH2 3.33Å; Y474-W484 VanDerWaalsContact OH-CZ2 3.31Å; Y474-W484 WeakPolarHBondContact OH-CZ2 3.44Å; Y474-V651 HydrophobicContact CD1-CB 4.08Å; Y474-V651 HydrophobicContact CD1-CG1 4.05Å; Y474-V651 HydrophobicContact CD1-CG2 4.2Å; Y474-V651 HydrophobicContact CE1-CB 4.17Å; Y474-V651 HydrophobicContact CE1-CG1 4.16Å
475	A	92.7	Very high	87.9	Confident	1 Å²	1	72.6 Å²	72.6	1%	0.008	38%	0.379	C	S	.	.	H	α-helix	trans	-59.6	-36.7	175.9	0	0	0	0	0	112.5	Q471 V472 K511 V624 T649 V651	Q471-A475 WeakPolarHBondContact O-CB 3.15Å; Q471-A475 PolarHBondContact O-N 2.85Å; V472-A475 PolarHBondContact O-N 3.01Å; A475-K511 PolarHBondContact O-NZ 2.93Å; A475-V624 HydrophobicContact CB-CB 4.45Å; A475-V624 HydrophobicContact CB-CG2 3.69Å; A475-T649 HydrophobicContact CB-CG2 4Å; A475-T649 WeakPolarHBondContact O-CG2 3.22Å; A475-V651 HydrophobicContact CB-CG1 4.02Å; A475-V651 HydrophobicContact CB-CG2 4.11Å
476	M	87.9	Confident	88.1	Confident	68 Å²	68	74.3 Å²	74.3	34%	0.335	39%	0.39	S	S	.	.	H	α-helix	trans	-79	-14.6	-179.5	-68.4	-68.8	152.3	0	0	114.5	V472 K473 Y474 L595 V624	V472-M476 HydrophobicContact CG1-CG 4.31Å; V472-M476 WeakPolarHBondContact O-CB 3.36Å; V472-M476 VanDerWaalsContact O-CG 3.22Å; V472-M476 WeakPolarHBondContact O-CG 3.15Å; V472-M476 PolarHBondContact O-N 3.09Å; K473-M476 PolarHBondContact O-N 3.01Å; Y474-M476 VanDerWaalsContact C-N 3.27Å; Y474-M476 PolarHBondContact O-N 3.45Å; M476-L595 HydrophobicContact CE-CD1 3.52Å; M476-L595 HydrophobicContact CE-CG 4.38Å; M476-V624 HydrophobicContact CE-CB 4.45Å; M476-V624 HydrophobicContact CE-CG1 3.45Å; M476-V624 VanDerWaalsContact CE-CG1 3.45Å
477	Q	88	Confident	88.3	Confident	100 Å²	100	70 Å²	70	47%	0.467	37%	0.366	S	S	.	.	S	Bend	trans	-64.7	139	175.4	-75.8	169	1.4	0	0	110.9	K473 Y474 K511	K473-Q477 WeakPolarHBondContact O-CG 3.31Å; K473-Q477 PolarHBondContact O-N 3.29Å; Y474-Q477 WeakPolarHBondContact O-CB 3.17Å; Y474-Q477 PolarHBondContact O-N 3.13Å; Q477-K511 PolarHBondContact O-NZ 3.4Å
478	G	85.3	Confident	88.3	Confident	59 Å²	59	69.8 Å²	69.8	61%	0.608	37%	0.367	S	S	*	.			trans	-60.4	160.4	174	0	0	0	0	0	112.5
479	V	87.7	Confident	88.5	Confident	50 Å²	50	74.8 Å²	74.8	30%	0.303	39%	0.39	S	S	.	.			trans	-85	113.4	170	178.5	0	0	0	0	106.9	W484 Y496 K511	V479-W484 HydrophobicContact CB-CG 4.49Å; V479-W484 HydrophobicContact CG1-CB 3.3Å; V479-W484 HydrophobicContact CG1-CD2 4.41Å; V479-W484 HydrophobicContact CG1-CG 3.62Å; V479-Y496 HydrophobicContact CG1-CD1 3.59Å; V479-Y496 HydrophobicContact CG1-CD2 4.41Å; V479-Y496 HydrophobicContact CG1-CE1 3.84Å; V479-Y496 HydrophobicContact CG1-CG 3.89Å; V479-Y496 HydrophobicContact CG2-CD2 3.88Å; V479-Y496 HydrophobicContact CG2-CE2 4.06Å; V479-Y496 HydrophobicContact CG2-CG 4.12Å; V479-K511 HydrophobicContact CG2-CD 4.1Å
480	Q	82.8	Confident	88.5	Confident	128 Å²	128	73.8 Å²	73.8	60%	0.598	39%	0.39	S	S	*	.			trans	-81.8	135.8	178.4	-63.1	-179.8	24.1	0	0	110.5	G482 E483 W484	Q480-G482 PolarHBondContact O-N 3.33Å; Q480-E483 HydrophobicContact CB-CB 4.48Å; Q480-E483 PolarHBondContact O-N 2.97Å; Q480-W484 PolarHBondContact O-N 2.99Å
481	E	75.6	Confident	88.6	Confident	201 Å²	201	71.3 Å²	71.3	94%	0.939	40%	0.395	S	S	*	.	B	Isolated β-bridge	trans	-61	133.1	173.4	-70.7	-176.8	174.2	0	0	110.4	E483	E481-E483 PolarHBondContact O-N 3.14Å
482	G	76.9	Confident	88.4	Confident	83 Å²	83	75.6 Å²	75.6	86%	0.856	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	-31.9	180	0	0	0	0	0	115.5	Q480	Q480-G482 PolarHBondContact O-N 3.33Å
483	E	87.2	Confident	88.6	Confident	80 Å²	80	75.6 Å²	75.6	37%	0.374	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-32.2	176.3	-157.8	-160.3	157.1	0	0	112.2	Q480 E481 R498	Q480-E483 HydrophobicContact CB-CB 4.48Å; Q480-E483 PolarHBondContact O-N 2.97Å; E481-E483 PolarHBondContact O-N 3.14Å; E483-R498 WeakPolarHBondContact O-CG 3.23Å; E483-R498 WeakPolarHBondContact OE1-CD 3.31Å; E483-R498 IonicContact OE1-CZ 3.21Å; E483-R498 IonicContact OE1-NE 2.77Å; E483-R498 IonicContact OE1-NH1 3.95Å; E483-R498 PolarHBondContact OE1-NH1 2.67Å
484	W	92.6	Very high	89	Confident	26 Å²	26	73 Å²	73	10%	0.098	40%	0.403	C	S	.	.	B	Isolated β-bridge	trans	-113.6	134.9	-177.6	-70.1	89.4	0	0	0	111.3	Y474 V479 Q480 K511	Y474-W484 HydrophobicContact CE1-CH2 4.48Å; Y474-W484 HydrophobicContact CE2-CZ2 4.41Å; Y474-W484 AromaticContact CZ-CH2 3.96Å; Y474-W484 AromaticContact CZ-CZ2 3.96Å; Y474-W484 WeakPolarHBondContact OH-CH2 3.33Å; Y474-W484 VanDerWaalsContact OH-CZ2 3.31Å; Y474-W484 WeakPolarHBondContact OH-CZ2 3.44Å; V479-W484 HydrophobicContact CB-CG 4.49Å; V479-W484 HydrophobicContact CG1-CB 3.3Å; V479-W484 HydrophobicContact CG1-CD2 4.41Å; V479-W484 HydrophobicContact CG1-CG 3.62Å; Q480-W484 PolarHBondContact O-N 2.99Å; W484-K511 HydrophobicContact CE3-CB 4.34Å; W484-K511 HydrophobicContact CH2-CB 3.74Å; W484-K511 HydrophobicContact CZ3-CB 3.6Å
485	Q	92	Very high	89.2	Confident	93 Å²	93	70.5 Å²	70.5	44%	0.435	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120.9	178.3	-63.3	176.4	4.4	0	0	110.1	F487 Y496 K497	Q485-F487 PolarHBondContact O-N 3.37Å; Q485-Y496 CarbonylContact O-C 3.56Å; Q485-Y496 VanDerWaalsContact O-CA 3.23Å; Q485-Y496 WeakPolarHBondContact O-CA 3.43Å; Q485-K497 HydrophobicContact CB-CG 4.32Å; Q485-K497 PolarHBondContact N-O 3.33Å; Q485-K497 PolarHBondContact O-N 2.83Å
486	L	92.6	Very high	89.3	Confident	81 Å²	81	72.6 Å²	72.6	42%	0.424	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	120.9	168.7	-179	71	0	0	0	108.7	K494 M495 Y496	L486-K494 HydrophobicContact CD1-CB 4.07Å; L486-M495 WeakPolarHBondContact CD1-O 3.37Å; L486-Y496 HydrophobicContact CB-CD1 3.95Å; L486-Y496 HydrophobicContact CB-CE1 3.89Å; L486-Y496 HydrophobicContact CD1-CD1 4.08Å; L486-Y496 HydrophobicContact CD1-CE1 3.7Å; L486-Y496 HydrophobicContact CD1-CE2 4.43Å; L486-Y496 HydrophobicContact CG-CE1 4.34Å
487	F	90.7	Very high	89.6	Confident	35 Å²	35	71.2 Å²	71.2	15%	0.154	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-14.5	-178.8	75.9	-94.1	0	0	0	113.9	Q485 M495 K497 L510 K670 P674	Q485-F487 PolarHBondContact O-N 3.37Å; F487-M495 HydrophobicContact CD1-CB 4.16Å; F487-M495 VanDerWaalsContact CD1-O 3.28Å; F487-M495 WeakPolarHBondContact CD1-O 3.46Å; F487-M495 HydrophobicContact CE1-CB 3.48Å; F487-M495 VanDerWaalsContact CE1-CB 3.48Å; F487-M495 HydrophobicContact CE2-CB 4.14Å; F487-M495 HydrophobicContact CE2-SD 4.42Å; F487-M495 HydrophobicContact CZ-CB 3.47Å; F487-M495 VanDerWaalsContact CZ-CB 3.47Å; F487-M495 HydrophobicContact CZ-CG 4.32Å; F487-M495 HydrophobicContact CZ-SD 3.95Å; F487-M495 PolarHBondContact N-O 2.79Å; F487-K497 HydrophobicContact CB-CD 4.35Å; F487-K497 HydrophobicContact CB-CG 4.44Å; F487-K497 HydrophobicContact CD1-CB 3.84Å; F487-K497 HydrophobicContact CD1-CD 4.09Å; F487-K497 HydrophobicContact CD1-CG 3.75Å; F487-K497 HydrophobicContact CE1-CB 4.08Å; F487-K497 HydrophobicContact CE1-CG 4.46Å; F487-K497 HydrophobicContact CG-CD 4.35Å; F487-K497 HydrophobicContact CG-CG 4.39Å; F487-L510 HydrophobicContact CE1-CD1 3.75Å; F487-L510 HydrophobicContact CE1-CG 4.3Å; F487-L510 HydrophobicContact CZ-CD1 3.59Å; F487-K670 HydrophobicContact CD2-CB 4.41Å; F487-K670 HydrophobicContact CD2-CG 4.02Å; F487-P674 HydrophobicContact CE2-CG 4.29Å
488	S	91.1	Very high	89.7	Confident	27 Å²	27	69.3 Å²	69.3	19%	0.189	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	134.1	176.2	-176.1	0	0	0	0	109.9	M495 P674	S488-M495 PolarHBondContact O-N 2.82Å; S488-P674 WeakPolarHBondContact OG-CG 3.37Å
489	E	93.1	Very high	90	Very high	107 Å²	107	70.6 Å²	70.6	50%	0.5	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	128.8	172.1	-178.8	165.4	-152.3	0	0	108.1	M493 K494	E489-M493 CarbonylContact C-O 3.59Å; E489-M493 WeakPolarHBondContact CA-O 3.42Å; E489-K494 HydrophobicContact CG-CG 4.26Å; E489-K494 WeakPolarHBondContact OE1-CE 3.47Å; E489-K494 IonicContact OE1-NZ 2.81Å; E489-K494 PolarHBondContact OE1-NZ 2.82Å
490	D	89.8	Confident	90.1	Very high	80 Å²	80	70 Å²	70	43%	0.428	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	108.1	173.3	-176.8	7.1	0	0	0	109.7	E492 M493 K678	D490-E492 PolarHBondContact O-N 3.43Å; D490-M493 HydrophobicContact CB-CE 4.26Å; D490-M493 PolarHBondContact N-O 3.25Å; D490-M493 VanDerWaalsContact O-CB 3.29Å; D490-M493 WeakPolarHBondContact O-CB 3.39Å; D490-M493 PolarHBondContact O-N 2.92Å; D490-K678 WeakPolarHBondContact OD2-CE 3.42Å; D490-K678 IonicContact OD2-NZ 3.22Å; D490-K678 PolarHBondContact OD2-NZ 3.37Å
491	G	91	Very high	90.2	Very high	62 Å²	62	68.9 Å²	68.9	64%	0.639	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	-120.4	-174.6	0	0	0	0	0	111.6	M493	G491-M493 VanDerWaalsContact C-N 3.27Å; G491-M493 PolarHBondContact O-N 3.23Å
492	E	90.7	Very high	90.4	Very high	117 Å²	117	62.8 Å²	62.8	55%	0.547	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	10.9	178.6	-53.2	-167.4	132.7	0	0	113.9	D490 H514 F515	D490-E492 PolarHBondContact O-N 3.43Å; E492-H514 WeakPolarHBondContact O-CA 3.48Å; E492-F515 HydrophobicContact CB-CB 3.93Å; E492-F515 PolarHBondContact O-N 2.71Å; E492-F515 VanDerWaalsContact OE2-CB 3.23Å; E492-F515 WeakPolarHBondContact OE2-CB 3.42Å
493	M	94.3	Very high	90.5	Very high	3 Å²	3	67.9 Å²	67.9	2%	0.015	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	121.5	176.1	-169	172.2	62.5	0	0	111	E489 D490 G491 M495 V513 H514 P674 L677 K678	E489-M493 CarbonylContact C-O 3.59Å; E489-M493 WeakPolarHBondContact CA-O 3.42Å; D490-M493 HydrophobicContact CB-CE 4.26Å; D490-M493 PolarHBondContact N-O 3.25Å; D490-M493 VanDerWaalsContact O-CB 3.29Å; D490-M493 WeakPolarHBondContact O-CB 3.39Å; D490-M493 PolarHBondContact O-N 2.92Å; G491-M493 VanDerWaalsContact C-N 3.27Å; G491-M493 PolarHBondContact O-N 3.23Å; M493-M495 HydrophobicContact CE-CE 3.78Å; M493-M495 HydrophobicContact CG-CE 3.95Å; M493-M495 HydrophobicContact SD-CE 3.36Å; M493-M495 WeakPolarHBondContact SD-CE 3.36Å; M493-V513 CarbonylContact C-O 3.54Å; M493-V513 WeakPolarHBondContact CA-O 3.46Å; M493-H514 HydrophobicContact CB-CB 4.35Å; M493-H514 HydrophobicContact CG-CB 4.01Å; M493-P674 HydrophobicContact CE-CB 4.39Å; M493-L677 HydrophobicContact SD-CB 3.99Å; M493-K678 HydrophobicContact CE-CD 4.23Å; M493-K678 HydrophobicContact CE-CG 3.8Å; M493-K678 HydrophobicContact SD-CG 4.46Å
494	K	95.9	Very high	90	Very high	79 Å²	79	66.8 Å²	66.8	34%	0.343	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.5	175.6	-60.1	-171.3	-176.2	-142	0	110.2	L486 E489 Y496 A512 V513	L486-K494 HydrophobicContact CD1-CB 4.07Å; E489-K494 HydrophobicContact CG-CG 4.26Å; E489-K494 WeakPolarHBondContact OE1-CE 3.47Å; E489-K494 IonicContact OE1-NZ 2.81Å; E489-K494 PolarHBondContact OE1-NZ 2.82Å; K494-Y496 HydrophobicContact CB-CE2 3.72Å; K494-Y496 WeakPolarHBondContact CD-OH 3.26Å; K494-A512 CarbonylContact O-C 3.48Å; K494-A512 VanDerWaalsContact O-CA 3.27Å; K494-A512 WeakPolarHBondContact O-CA 3.39Å; K494-V513 PolarHBondContact N-O 3.45Å; K494-V513 PolarHBondContact O-N 3.06Å
495	M	95.3	Very high	89.5	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	126.7	178.8	-53.1	-159.9	177.3	0	0	112.2	L486 F487 S488 M493 A512 P674 L677	L486-M495 WeakPolarHBondContact CD1-O 3.37Å; F487-M495 HydrophobicContact CD1-CB 4.16Å; F487-M495 VanDerWaalsContact CD1-O 3.28Å; F487-M495 WeakPolarHBondContact CD1-O 3.46Å; F487-M495 HydrophobicContact CE1-CB 3.48Å; F487-M495 VanDerWaalsContact CE1-CB 3.48Å; F487-M495 HydrophobicContact CE2-CB 4.14Å; F487-M495 HydrophobicContact CE2-SD 4.42Å; F487-M495 HydrophobicContact CZ-CB 3.47Å; F487-M495 VanDerWaalsContact CZ-CB 3.47Å; F487-M495 HydrophobicContact CZ-CG 4.32Å; F487-M495 HydrophobicContact CZ-SD 3.95Å; F487-M495 PolarHBondContact N-O 2.79Å; S488-M495 PolarHBondContact O-N 2.82Å; M493-M495 HydrophobicContact CE-CE 3.78Å; M493-M495 HydrophobicContact CG-CE 3.95Å; M493-M495 HydrophobicContact SD-CE 3.36Å; M493-M495 WeakPolarHBondContact SD-CE 3.36Å; M495-A512 HydrophobicContact CB-CB 4.39Å; M495-A512 HydrophobicContact CE-CB 4.14Å; M495-A512 HydrophobicContact CG-CB 3.75Å; M495-A512 HydrophobicContact SD-CB 4.19Å; M495-P674 VanDerWaalsContact CE-CA 3.44Å; M495-P674 HydrophobicContact CE-CB 4.16Å; M495-P674 HydrophobicContact CE-CG 4.26Å; M495-P674 HydrophobicContact SD-CB 4.32Å; M495-P674 HydrophobicContact SD-CG 3.78Å; M495-L677 HydrophobicContact CE-CB 4.01Å; M495-L677 HydrophobicContact CE-CD1 3.45Å; M495-L677 VanDerWaalsContact CE-CD1 3.45Å; M495-L677 HydrophobicContact CE-CG 4.24Å
496	Y	95.4	Very high	89.1	Confident	45 Å²	45	62.9 Å²	62.9	18%	0.176	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	145.8	-178.6	-53.6	-89.8	0	0	0	109.9	V479 Q485 L486 K494 L510 K511	V479-Y496 HydrophobicContact CG1-CD1 3.59Å; V479-Y496 HydrophobicContact CG1-CD2 4.41Å; V479-Y496 HydrophobicContact CG1-CE1 3.84Å; V479-Y496 HydrophobicContact CG1-CG 3.89Å; V479-Y496 HydrophobicContact CG2-CD2 3.88Å; V479-Y496 HydrophobicContact CG2-CE2 4.06Å; V479-Y496 HydrophobicContact CG2-CG 4.12Å; Q485-Y496 CarbonylContact O-C 3.56Å; Q485-Y496 VanDerWaalsContact O-CA 3.23Å; Q485-Y496 WeakPolarHBondContact O-CA 3.43Å; L486-Y496 HydrophobicContact CB-CD1 3.95Å; L486-Y496 HydrophobicContact CB-CE1 3.89Å; L486-Y496 HydrophobicContact CD1-CD1 4.08Å; L486-Y496 HydrophobicContact CD1-CE1 3.7Å; L486-Y496 HydrophobicContact CD1-CE2 4.43Å; L486-Y496 HydrophobicContact CG-CE1 4.34Å; K494-Y496 HydrophobicContact CB-CE2 3.72Å; K494-Y496 WeakPolarHBondContact CD-OH 3.26Å; Y496-L510 WeakPolarHBondContact O-CA 2.88Å; Y496-K511 PolarHBondContact N-O 2.87Å; Y496-K511 PolarHBondContact O-N 3.48Å
497	K	93.7	Very high	88.9	Confident	40 Å²	40	59.2 Å²	59.2	17%	0.174	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	156.2	172.7	65.9	172.7	-173.9	148.2	0	110.8	Q485 F487 E499 P509	Q485-K497 HydrophobicContact CB-CG 4.32Å; Q485-K497 PolarHBondContact N-O 3.33Å; Q485-K497 PolarHBondContact O-N 2.83Å; F487-K497 HydrophobicContact CB-CD 4.35Å; F487-K497 HydrophobicContact CB-CG 4.44Å; F487-K497 HydrophobicContact CD1-CB 3.84Å; F487-K497 HydrophobicContact CD1-CD 4.09Å; F487-K497 HydrophobicContact CD1-CG 3.75Å; F487-K497 HydrophobicContact CE1-CB 4.08Å; F487-K497 HydrophobicContact CE1-CG 4.46Å; F487-K497 HydrophobicContact CG-CD 4.35Å; F487-K497 HydrophobicContact CG-CG 4.39Å; K497-E499 IonicContact NZ-OE1 3.66Å; K497-E499 PolarHBondContact NZ-OE1 2.83Å; K497-P509 CarbonylContact C-O 3.59Å; K497-P509 VanDerWaalsContact CA-O 3.31Å; K497-P509 WeakPolarHBondContact CA-O 3.38Å
498	R	91.3	Very high	89	Confident	60 Å²	60	58 Å²	58	23%	0.226	31%	0.308	C	S	.	.			trans	-120.3	131.9	165.5	-177.9	174	66.1	-135	7.9	108.9	E483 V500 D508 P509	E483-R498 WeakPolarHBondContact O-CG 3.23Å; E483-R498 WeakPolarHBondContact OE1-CD 3.31Å; E483-R498 IonicContact OE1-CZ 3.21Å; E483-R498 IonicContact OE1-NE 2.77Å; E483-R498 IonicContact OE1-NH1 3.95Å; E483-R498 PolarHBondContact OE1-NH1 2.67Å; R498-V500 HydrophobicContact CG-CG2 4.03Å; R498-V500 PolarHBondContact O-N 2.82Å; R498-D508 VanDerWaalsContact O-CA 3.22Å; R498-D508 WeakPolarHBondContact O-CA 3.45Å; R498-D508 VanDerWaalsContact O-CB 3.31Å; R498-D508 WeakPolarHBondContact O-CB 3.27Å; R498-P509 PolarHBondContact N-O 3.21Å; R498-P509 WeakPolarHBondContact O-CD 3.18Å
499	E	90.2	Very high	89.1	Confident	86 Å²	86	56.9 Å²	56.9	40%	0.402	30%	0.3	S	S	.	.			trans	-74	117.9	177.5	-60.8	-155.4	161.4	0	0	110	K497 D508 R666	K497-E499 IonicContact NZ-OE1 3.66Å; K497-E499 PolarHBondContact NZ-OE1 2.83Å; E499-D508 WeakPolarHBondContact CA-OD1 3.14Å; E499-R666 IonicContact OE1-CZ 3.15Å; E499-R666 IonicContact OE1-NE 2.69Å; E499-R666 IonicContact OE1-NH1 2.73Å; E499-R666 PolarHBondContact OE1-NH1 3.07Å; E499-R666 VanDerWaalsContact OE1-NH1 3.08Å; E499-R666 IonicContact OE1-NH2 2.81Å; E499-R666 IonicContact OE2-CZ 3.96Å; E499-R666 VanDerWaalsContact OE2-CZ 3.29Å; E499-R666 IonicContact OE2-NH1 3.69Å; E499-R666 PolarHBondContact OE2-NH1 2.88Å; E499-R666 IonicContact OE2-NH2 3.93Å; E499-R666 PolarHBondContact OE2-NH2 3.47Å
500	V	89.6	Confident	89.2	Confident	38 Å²	38	52 Å²	52	23%	0.23	28%	0.278	C	S	.	.			trans	-142	119	178.5	-177.4	0	0	0	0	108.7	R498 I502 C507 D508 P509	R498-V500 HydrophobicContact CG-CG2 4.03Å; R498-V500 PolarHBondContact O-N 2.82Å; V500-I502 HydrophobicContact CG1-CD1 4.49Å; V500-I502 HydrophobicContact CG1-CG1 4.01Å; V500-C507 CarbonylContact O-C 3.59Å; V500-C507 PolarHBondContact O-N 3.42Å; V500-D508 PolarHBondContact N-OD1 3.11Å; V500-P509 HydrophobicContact CG2-CG 4.07Å
501	E	84.4	Confident	89.5	Confident	104 Å²	104	48.9 Å²	48.9	49%	0.486	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	122.8	170.1	-65.7	-170.8	163.2	0	0	109.7	L505 V506 S662	E501-L505 CarbonylContact C-O 3.57Å; E501-L505 WeakPolarHBondContact CA-O 3.48Å; E501-V506 HydrophobicContact CG-CG2 4.35Å; E501-S662 PolarHBondContact OE1-OG 3.11Å
502	I	81.2	Confident	89.8	Confident	72 Å²	72	46 Å²	46	37%	0.369	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.5	176.3	-57.7	177.4	0	0	0	106.6	V500 G504 L505 C507	V500-I502 HydrophobicContact CG1-CD1 4.49Å; V500-I502 HydrophobicContact CG1-CG1 4.01Å; I502-G504 PolarHBondContact O-N 3.2Å; I502-G504 VanDerWaalsContact O-N 3.16Å; I502-L505 PolarHBondContact N-O 2.86Å; I502-L505 WeakPolarHBondContact O-CB 3.34Å; I502-L505 PolarHBondContact O-N 2.9Å; I502-C507 HydrophobicContact CD1-CB 3.84Å; I502-C507 HydrophobicContact CG1-CB 4.06Å
503	E	79.1	Confident	90	Very high	191 Å²	191	41.9 Å²	41.9	89%	0.893	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	33.2	179.9	-58.5	177.9	175.9	0	0	113.4	L505	E503-L505 VanDerWaalsContact C-N 3.29Å; E503-L505 PolarHBondContact O-N 2.92Å
504	G	77	Confident	90.1	Very high	56 Å²	56	43 Å²	43	58%	0.577	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.6	5.1	-177.2	0	0	0	0	0	114.9	I502	I502-G504 PolarHBondContact O-N 3.2Å; I502-G504 VanDerWaalsContact O-N 3.16Å
505	L	81.1	Confident	90	Very high	38 Å²	38	41.5 Å²	41.5	20%	0.199	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.1	174	-62.1	174.6	0	0	0	110.7	E501 I502 E503 C507 G658	E501-L505 CarbonylContact C-O 3.57Å; E501-L505 WeakPolarHBondContact CA-O 3.48Å; I502-L505 PolarHBondContact N-O 2.86Å; I502-L505 WeakPolarHBondContact O-CB 3.34Å; I502-L505 PolarHBondContact O-N 2.9Å; E503-L505 VanDerWaalsContact C-N 3.29Å; E503-L505 PolarHBondContact O-N 2.92Å; L505-C507 PolarHBondContact O-N 2.77Å; L505-C507 PolarHBondContact O-SG 3.46Å; L505-G658 VanDerWaalsContact CD2-O 3.26Å; L505-G658 WeakPolarHBondContact CD2-O 3.01Å
506	V	84.7	Confident	90	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	115	173.6	-178.7	0	0	0	0	109.9	E501 D508 S662 L665 R666 Y669	E501-V506 HydrophobicContact CG-CG2 4.35Å; V506-D508 HydrophobicContact CG1-CB 4.17Å; V506-D508 WeakPolarHBondContact CG1-OD1 3.29Å; V506-D508 WeakPolarHBondContact CG1-OD2 3.34Å; V506-S662 WeakPolarHBondContact CG2-OG 3.29Å; V506-L665 HydrophobicContact CB-CB 4.4Å; V506-L665 HydrophobicContact CB-CD1 3.96Å; V506-L665 HydrophobicContact CG2-CD1 4.3Å; V506-R666 HydrophobicContact CG1-CG 4.18Å; V506-Y669 HydrophobicContact CG1-CE2 4.22Å
507	C	88	Confident	89.9	Confident	4 Å²	4	46.8 Å²	46.8	3%	0.027	23%	0.232	C	C	.	.			trans	-125.5	35.2	179.3	-63.3	0	0	0	0	110.7	V500 I502 L505 P509	V500-C507 CarbonylContact O-C 3.59Å; V500-C507 PolarHBondContact O-N 3.42Å; I502-C507 HydrophobicContact CD1-CB 3.84Å; I502-C507 HydrophobicContact CG1-CB 4.06Å; L505-C507 PolarHBondContact O-N 2.77Å; L505-C507 PolarHBondContact O-SG 3.46Å; C507-P509 WeakPolarHBondContact O-CD 3.46Å; C507-P509 VanDerWaalsContact O-N 3.15Å
508	D	91.6	Very high	89.9	Confident	10 Å²	10	45.5 Å²	45.5	5%	0.053	23%	0.231	C	C	.	.			trans	-49.7	113.1	-175.2	-68.9	-4.7	0	0	0	111.5	R498 E499 V500 V506 L510 R666	R498-D508 VanDerWaalsContact O-CA 3.22Å; R498-D508 WeakPolarHBondContact O-CA 3.45Å; R498-D508 VanDerWaalsContact O-CB 3.31Å; R498-D508 WeakPolarHBondContact O-CB 3.27Å; E499-D508 WeakPolarHBondContact CA-OD1 3.14Å; V500-D508 PolarHBondContact N-OD1 3.11Å; V506-D508 HydrophobicContact CG1-CB 4.17Å; V506-D508 WeakPolarHBondContact CG1-OD1 3.29Å; V506-D508 WeakPolarHBondContact CG1-OD2 3.34Å; D508-L510 PolarHBondContact O-N 3.03Å; D508-R666 IonicContact OD1-NH2 2.77Å; D508-R666 IonicContact OD2-CZ 3.96Å; D508-R666 IonicContact OD2-NE 2.74Å; D508-R666 PolarHBondContact OD2-NE 3.25Å
509	P	94.1	Very high	90.1	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.019	22%	0.22	C	C	.	.			trans	-64.9	135.4	172.2	-22.9	35.8	0	0	0	110.2	K497 R498 V500 C507 Q653	K497-P509 CarbonylContact C-O 3.59Å; K497-P509 VanDerWaalsContact CA-O 3.31Å; K497-P509 WeakPolarHBondContact CA-O 3.38Å; R498-P509 PolarHBondContact N-O 3.21Å; R498-P509 WeakPolarHBondContact O-CD 3.18Å; V500-P509 HydrophobicContact CG2-CG 4.07Å; C507-P509 WeakPolarHBondContact O-CD 3.46Å; C507-P509 VanDerWaalsContact O-N 3.15Å; P509-Q653 HydrophobicContact CG-CG 4.48Å
510	L	95.1	Very high	90.2	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.026	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	142	180	178.8	147	0	0	0	110.5	F487 Y496 D508 A512 Y650 V651 A652 Y673	F487-L510 HydrophobicContact CE1-CD1 3.75Å; F487-L510 HydrophobicContact CE1-CG 4.3Å; F487-L510 HydrophobicContact CZ-CD1 3.59Å; Y496-L510 WeakPolarHBondContact O-CA 2.88Å; D508-L510 PolarHBondContact O-N 3.03Å; L510-A512 HydrophobicContact CD2-CB 4.34Å; L510-Y650 HydrophobicContact CD2-CD1 3.82Å; L510-Y650 HydrophobicContact CD2-CE1 4.03Å; L510-V651 CarbonylContact O-C 3.6Å; L510-V651 VanDerWaalsContact O-CA 3.3Å; L510-V651 WeakPolarHBondContact O-CA 3.28Å; L510-A652 PolarHBondContact N-O 3.36Å; L510-A652 PolarHBondContact O-N 3.27Å; L510-Y673 HydrophobicContact CD1-CD1 3.81Å; L510-Y673 HydrophobicContact CD1-CD2 3.32Å; L510-Y673 HydrophobicContact CD1-CE1 4.12Å; L510-Y673 HydrophobicContact CD1-CE2 3.68Å; L510-Y673 HydrophobicContact CD1-CG 3.4Å; L510-Y673 VanDerWaalsContact CD1-CG 3.4Å; L510-Y673 HydrophobicContact CD2-CD1 4.24Å; L510-Y673 HydrophobicContact CD2-CE1 4.44Å
511	K	96.2	Very high	90.4	Very high	14 Å²	14	36.8 Å²	36.8	6%	0.061	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	122.3	170.7	175.6	167	169.9	160.2	0	110	A475 Q477 V479 W484 Y496 Y650 V651	A475-K511 PolarHBondContact O-NZ 2.93Å; Q477-K511 PolarHBondContact O-NZ 3.4Å; V479-K511 HydrophobicContact CG2-CD 4.1Å; W484-K511 HydrophobicContact CE3-CB 4.34Å; W484-K511 HydrophobicContact CH2-CB 3.74Å; W484-K511 HydrophobicContact CZ3-CB 3.6Å; Y496-K511 PolarHBondContact N-O 2.87Å; Y496-K511 PolarHBondContact O-N 3.48Å; K511-Y650 CarbonylContact C-O 3.58Å; K511-Y650 WeakPolarHBondContact CA-O 3.2Å; K511-V651 HydrophobicContact CB-CG1 4.15Å; K511-V651 HydrophobicContact CD-CG1 4.26Å; K511-V651 HydrophobicContact CG-CG1 4.03Å
512	A	96.6	Very high	90.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.5	171.9	0	0	0	0	0	110.6	K494 M495 L510 T649 Y650 L677	K494-A512 CarbonylContact O-C 3.48Å; K494-A512 VanDerWaalsContact O-CA 3.27Å; K494-A512 WeakPolarHBondContact O-CA 3.39Å; M495-A512 HydrophobicContact CB-CB 4.39Å; M495-A512 HydrophobicContact CE-CB 4.14Å; M495-A512 HydrophobicContact CG-CB 3.75Å; M495-A512 HydrophobicContact SD-CB 4.19Å; L510-A512 HydrophobicContact CD2-CB 4.34Å; A512-T649 CarbonylContact O-C 3.57Å; A512-T649 WeakPolarHBondContact O-CA 3.34Å; A512-Y650 PolarHBondContact N-O 3.49Å; A512-Y650 PolarHBondContact O-N 3.04Å; A512-L677 HydrophobicContact CB-CD1 3.46Å; A512-L677 VanDerWaalsContact CB-CD1 3.46Å
513	V	95.6	Very high	91.4	Very high	31 Å²	31	29 Å²	29	19%	0.188	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	124.7	172.3	-177.9	0	0	0	0	107.2	M493 K494 F515 I648 T649	M493-V513 CarbonylContact C-O 3.54Å; M493-V513 WeakPolarHBondContact CA-O 3.46Å; K494-V513 PolarHBondContact N-O 3.45Å; K494-V513 PolarHBondContact O-N 3.06Å; V513-F515 HydrophobicContact CG1-CE2 4.15Å; V513-I648 CarbonylContact C-O 3.59Å; V513-I648 WeakPolarHBondContact CA-O 3.42Å; V513-T649 HydrophobicContact CG2-CG2 4.48Å
514	H	95	Very high	92.2	Very high	25 Å²	25	19.9 Å²	19.9	12%	0.116	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	136.3	-177.2	-173.6	28.3	0	0	0	110.3	E492 M493 V516 I648	E492-H514 WeakPolarHBondContact O-CA 3.48Å; M493-H514 HydrophobicContact CB-CB 4.35Å; M493-H514 HydrophobicContact CG-CB 4.01Å; H514-V516 VanDerWaalsContact CD2-CG2 3.47Å; H514-V516 WeakPolarHBondContact CD2-CG2 3.42Å; H514-V516 VanDerWaalsContact NE2-CG2 3.31Å; H514-V516 WeakPolarHBondContact NE2-CG2 3.35Å; H514-I648 HydrophobicContact CB-CB 4.3Å; H514-I648 PolarHBondContact N-O 3.41Å; H514-I648 PolarHBondContact O-N 3.29Å
515	F	94.5	Very high	93	Very high	48 Å²	48	17.2 Å²	17.2	21%	0.211	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134.5	170.3	-76.5	-99.6	0	0	0	110.7	E492 V513 H589 K647	E492-F515 HydrophobicContact CB-CB 3.93Å; E492-F515 PolarHBondContact O-N 2.71Å; E492-F515 VanDerWaalsContact OE2-CB 3.23Å; E492-F515 WeakPolarHBondContact OE2-CB 3.42Å; V513-F515 HydrophobicContact CG1-CE2 4.15Å; F515-H589 AromaticContact CZ-CD2 3.92Å; F515-H589 AromaticContact CZ-CE1 3.82Å; F515-H589 AromaticContact CZ-NE2 3.43Å; F515-H589 WeakPolarHBondContact CZ-NE2 3.36Å; F515-K647 HydrophobicContact CD1-CB 4.09Å; F515-K647 HydrophobicContact CD1-CG 4.45Å; F515-K647 HydrophobicContact CE1-CB 3.65Å; F515-K647 HydrophobicContact CE1-CD 4.03Å; F515-K647 HydrophobicContact CE1-CG 3.83Å; F515-K647 HydrophobicContact CE2-CD 4.22Å; F515-K647 HydrophobicContact CE2-CG 3.99Å; F515-K647 HydrophobicContact CZ-CB 3.96Å; F515-K647 HydrophobicContact CZ-CD 3.54Å; F515-K647 HydrophobicContact CZ-CG 3.58Å
516	V	95.2	Very high	93.7	Very high	7 Å²	7	15.6 Å²	15.6	4%	0.042	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	118.5	-178.2	179.6	0	0	0	0	109.1	H514 V519 S645 C646 I648 T681 L685	H514-V516 VanDerWaalsContact CD2-CG2 3.47Å; H514-V516 WeakPolarHBondContact CD2-CG2 3.42Å; H514-V516 VanDerWaalsContact NE2-CG2 3.31Å; H514-V516 WeakPolarHBondContact NE2-CG2 3.35Å; V516-V519 HydrophobicContact CG1-CB 4.46Å; V516-V519 HydrophobicContact CG1-CG2 4Å; V516-S645 CarbonylContact O-C 3.56Å; V516-S645 WeakPolarHBondContact O-CA 3.36Å; V516-C646 PolarHBondContact N-O 2.96Å; V516-C646 PolarHBondContact O-N 3.03Å; V516-I648 HydrophobicContact CB-CD1 4.06Å; V516-I648 HydrophobicContact CG2-CD1 3.43Å; V516-I648 VanDerWaalsContact CG2-CD1 3.43Å; V516-T681 HydrophobicContact CB-CG2 4.39Å; V516-T681 HydrophobicContact CG1-CG2 3.85Å; V516-T681 HydrophobicContact CG2-CG2 3.53Å; V516-L685 HydrophobicContact CG1-CD1 4.33Å; V516-L685 HydrophobicContact CG1-CD2 4.12Å; V516-L685 HydrophobicContact CG1-CG 4.34Å
517	R	93.9	Very high	94.1	Very high	149 Å²	149	15.6 Å²	15.6	56%	0.562	7%	0.074	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	148.9	175.4	-56.9	-169.2	74.3	-173.2	3.5	111	D630 Q642	R517-D630 IonicContact NH2-OD2 3.2Å; R517-D630 PolarHBondContact NH2-OD2 2.92Å; R517-Q642 PolarHBondContact NH2-O 2.8Å
518	G	93.1	Very high	94.5	Very high	14 Å²	14	15.7 Å²	15.7	14%	0.144	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	0.7	172.1	0	0	0	0	0	116.6	R641 V644	G518-R641 VanDerWaalsContact CA-O 3.25Å; G518-R641 WeakPolarHBondContact CA-O 3.45Å; G518-R641 PolarHBondContact O-NH1 2.78Å; G518-V644 PolarHBondContact N-O 2.87Å
519	V	95	Very high	94.7	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.006	7%	0.073	C	C	.	.			trans	-133.8	141	-172.9	-171	0	0	0	0	109.5	V516 E523 Y524 C646 V684 L685 V688	V516-V519 HydrophobicContact CG1-CB 4.46Å; V516-V519 HydrophobicContact CG1-CG2 4Å; V519-E523 HydrophobicContact CG1-CB 3.87Å; V519-Y524 HydrophobicContact CG1-CD2 4.34Å; V519-C646 VanDerWaalsContact O-CB 3.3Å; V519-C646 WeakPolarHBondContact O-CB 3.42Å; V519-C646 PolarHBondContact O-N 3.26Å; V519-V684 HydrophobicContact CG1-CG1 3.71Å; V519-V684 HydrophobicContact CG2-CG1 4.39Å; V519-L685 HydrophobicContact CG2-CD2 3.41Å; V519-L685 VanDerWaalsContact CG2-CD2 3.41Å; V519-L685 HydrophobicContact CG2-CG 4.2Å; V519-V688 HydrophobicContact CG2-CG2 4.12Å
520	S	93.5	Very high	94.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.074	C	C	.	.			trans	-89.3	162.9	171.6	75.1	0	0	0	0	112.3	S522 E523 Y524 Q694	S520-S522 PolarHBondContact O-N 3.35Å; S520-S522 PolarHBondContact OG-N 3.11Å; S520-E523 PolarHBondContact N-OE2 2.87Å; S520-E523 PolarHBondContact O-N 3.47Å; S520-E523 WeakPolarHBondContact OG-CG 3.37Å; S520-E523 PolarHBondContact OG-N 2.98Å; S520-E523 VanDerWaalsContact OG-N 3.1Å; S520-Y524 PolarHBondContact O-N 3.24Å; S520-Q694 VanDerWaalsContact CB-O 3.24Å; S520-Q694 WeakPolarHBondContact CB-O 3.4Å; S520-Q694 PolarHBondContact OG-O 3.26Å
521	A	93.6	Very high	94.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.9	-36	172.5	0	0	0	0	0	112.8	A525 D594 I596 C625 T627	A521-A525 WeakPolarHBondContact O-CB 3.4Å; A521-A525 PolarHBondContact O-N 3.14Å; A521-D594 VanDerWaalsContact CB-O 3.27Å; A521-D594 WeakPolarHBondContact CB-O 3.36Å; A521-I596 HydrophobicContact CB-CD1 4.18Å; A521-C625 HydrophobicContact CB-CB 3.63Å; A521-T627 WeakPolarHBondContact CB-OG1 3.08Å; A521-T627 PolarHBondContact N-OG1 3.49Å
522	S	92	Very high	94.3	Very high	7 Å²	7	21.6 Å²	21.6	5%	0.049	10%	0.102	C	C	.	.	H	α-helix	trans	-65.6	-46.4	179.2	-175.2	0	0	0	0	111.7	S520 H526 I596 L695	S520-S522 PolarHBondContact O-N 3.35Å; S520-S522 PolarHBondContact OG-N 3.11Å; S522-H526 WeakPolarHBondContact O-CB 3.14Å; S522-H526 PolarHBondContact O-N 3.03Å; S522-I596 VanDerWaalsContact CA-CD1 3.49Å; S522-L695 WeakPolarHBondContact CB-OXT 3.49Å
523	E	94.4	Very high	94	Very high	5 Å²	5	22.2 Å²	22.2	2%	0.023	10%	0.104	C	C	.	.	H	α-helix	trans	-61.9	-49.1	176.1	-71	174.6	151.9	0	0	111.1	L427 V519 S520 H526 Y527 R641 V688 Q694	L427-E523 HydrophobicContact CD2-CG 4.36Å; V519-E523 HydrophobicContact CG1-CB 3.87Å; S520-E523 PolarHBondContact N-OE2 2.87Å; S520-E523 PolarHBondContact O-N 3.47Å; S520-E523 WeakPolarHBondContact OG-CG 3.37Å; S520-E523 PolarHBondContact OG-N 2.98Å; S520-E523 VanDerWaalsContact OG-N 3.1Å; E523-H526 PolarHBondContact O-N 2.69Å; E523-Y527 WeakPolarHBondContact O-CD2 2.92Å; E523-Y527 PolarHBondContact O-N 2.94Å; E523-R641 IonicContact OE1-CZ 3.41Å; E523-R641 IonicContact OE1-NH1 3.44Å; E523-R641 PolarHBondContact OE1-NH1 3.23Å; E523-R641 IonicContact OE1-NH2 2.73Å; E523-R641 PolarHBondContact OE1-NH2 3.44Å; E523-R641 IonicContact OE2-CZ 3.78Å; E523-R641 IonicContact OE2-NH1 3.2Å; E523-R641 PolarHBondContact OE2-NH1 2.64Å; E523-R641 IonicContact OE2-NH2 3.83Å; E523-V688 HydrophobicContact CB-CG1 4.21Å; E523-V688 HydrophobicContact CG-CG1 4.33Å; E523-Q694 HydrophobicContact CG-CB 4.28Å; E523-Q694 PolarHBondContact OE1-N 3.38Å
524	Y	95.7	Very high	93.8	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-65.1	-46.5	-177.1	-162.2	-84.4	0	0	0	112.3	V519 S520 H526 F528 M623 C625 I648 F680 T681 V684	V519-Y524 HydrophobicContact CG1-CD2 4.34Å; S520-Y524 PolarHBondContact O-N 3.24Å; Y524-H526 VanDerWaalsContact C-N 3.34Å; Y524-H526 PolarHBondContact O-N 3.37Å; Y524-F528 PolarHBondContact O-N 2.99Å; Y524-M623 HydrophobicContact CE1-CE 4.16Å; Y524-M623 HydrophobicContact CE1-CG 4.26Å; Y524-M623 HydrophobicContact CE1-SD 3.92Å; Y524-C625 WeakPolarHBondContact CD1-SG 3.27Å; Y524-I648 HydrophobicContact CD1-CD1 4.33Å; Y524-I648 HydrophobicContact CD1-CG1 4.04Å; Y524-I648 HydrophobicContact CD2-CD1 3.92Å; Y524-I648 HydrophobicContact CD2-CG1 4.44Å; Y524-I648 HydrophobicContact CE1-CD1 3.88Å; Y524-I648 HydrophobicContact CE1-CG1 3.73Å; Y524-I648 HydrophobicContact CE1-CG2 4.06Å; Y524-I648 HydrophobicContact CE2-CD1 3.45Å; Y524-I648 VanDerWaalsContact CE2-CD1 3.45Å; Y524-I648 HydrophobicContact CE2-CG1 4.21Å; Y524-I648 HydrophobicContact CG-CD1 4.33Å; Y524-I648 HydrophobicContact CG-CG1 4.36Å; Y524-I648 VanDerWaalsContact CZ-CD1 3.42Å; Y524-F680 AromaticContact CD1-CE1 3.83Å; Y524-F680 HydrophobicContact CD1-CE1 3.83Å; Y524-F680 AromaticContact CE1-CD1 3.81Å; Y524-F680 HydrophobicContact CE1-CD1 3.81Å; Y524-F680 AromaticContact CE1-CE1 3.39Å; Y524-F680 HydrophobicContact CE1-CE1 3.39Å; Y524-F680 HydrophobicContact CE2-CD1 4.28Å; Y524-F680 HydrophobicContact CE2-CE1 4.17Å; Y524-F680 HydrophobicContact CG-CE1 4.42Å; Y524-F680 AromaticContact CZ-CD1 3.59Å; Y524-F680 AromaticContact CZ-CE1 3.57Å; Y524-F680 WeakPolarHBondContact OH-CD1 3.41Å; Y524-T681 PolarHBondContact OH-OG1 3.35Å; Y524-V684 HydrophobicContact CD2-CB 4.37Å; Y524-V684 HydrophobicContact CD2-CG1 4.13Å; Y524-V684 HydrophobicContact CD2-CG2 4.29Å
525	A	95.3	Very high	93.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.3	-36.4	178.8	0	0	0	0	0	112.4	A521 F528 F529 I578 I596 V598	A521-A525 WeakPolarHBondContact O-CB 3.4Å; A521-A525 PolarHBondContact O-N 3.14Å; A525-F528 PolarHBondContact O-N 3.01Å; A525-F529 WeakPolarHBondContact O-CB 3.22Å; A525-F529 PolarHBondContact O-N 2.84Å; A525-I578 HydrophobicContact CB-CD1 4.12Å; A525-I596 HydrophobicContact CB-CB 4.24Å; A525-I596 HydrophobicContact CB-CG2 3.51Å; A525-V598 HydrophobicContact CB-CG2 3.96Å
526	H	94	Very high	93.2	Very high	3 Å²	3	23.2 Å²	23.2	1%	0.014	11%	0.11	C	C	.	.	H	α-helix	trans	-58.4	-51.2	178.7	175.7	78.5	0	0	0	112.2	L427 R428 S522 E523 Y524 F528 F529 E530 Y533	L427-H526 HydrophobicContact CD1-CB 3.93Å; L427-H526 WeakPolarHBondContact CD1-CD2 3.24Å; L427-H526 HydrophobicContact CG-CB 4.24Å; R428-H526 PolarHBondContact N-CE1 3.21Å; S522-H526 WeakPolarHBondContact O-CB 3.14Å; S522-H526 PolarHBondContact O-N 3.03Å; E523-H526 PolarHBondContact O-N 2.69Å; Y524-H526 VanDerWaalsContact C-N 3.34Å; Y524-H526 PolarHBondContact O-N 3.37Å; H526-F528 PolarHBondContact O-N 3.02Å; H526-F529 PolarHBondContact O-N 3.24Å; H526-E530 VanDerWaalsContact CE1-CG 3.47Å; H526-E530 WeakPolarHBondContact CE1-CG 3.37Å; H526-E530 IonicContact CE1-OE1 3.46Å; H526-E530 WeakPolarHBondContact O-CG 3.38Å; H526-E530 PolarHBondContact O-N 3Å; H526-Y533 AromaticContact CD2-CE2 3.95Å; H526-Y533 AromaticContact NE2-CE2 3.52Å
527	Y	94.3	Very high	92.8	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	11%	0.109	C	C	.	.	H	α-helix	trans	-67.5	-24	179.9	-69.7	-70.3	0	0	0	113.2	V425 L427 E523 Y533 Y683 V684 K687 V688 R691	V425-Y527 HydrophobicContact CG1-CE1 4.05Å; V425-Y527 HydrophobicContact CG2-CE1 4.12Å; L427-Y527 HydrophobicContact CD1-CE2 4.43Å; E523-Y527 WeakPolarHBondContact O-CD2 2.92Å; E523-Y527 PolarHBondContact O-N 2.94Å; Y527-Y533 HydrophobicContact CD1-CD1 4.35Å; Y527-Y533 AromaticContact CD1-CD2 3.65Å; Y527-Y533 HydrophobicContact CD1-CD2 3.65Å; Y527-Y533 AromaticContact CD1-CE2 3.92Å; Y527-Y533 HydrophobicContact CD1-CE2 3.92Å; Y527-Y533 AromaticContact CD1-CG 3.89Å; Y527-Y533 HydrophobicContact CD1-CG 3.89Å; Y527-Y533 HydrophobicContact CE1-CD2 4.33Å; Y527-Y533 HydrophobicContact CE1-CE1 4.43Å; Y527-Y533 HydrophobicContact CE1-CE2 4.22Å; Y527-Y533 HydrophobicContact CE1-CG 4.49Å; Y527-Y683 AromaticContact CD1-CE1 3.97Å; Y527-Y683 HydrophobicContact CD1-CE1 3.97Å; Y527-Y683 HydrophobicContact CG-CE1 4.41Å; Y527-V684 HydrophobicContact CD2-CB 4.41Å; Y527-V684 HydrophobicContact CD2-CG1 3.96Å; Y527-V684 HydrophobicContact CD2-CG2 4Å; Y527-V684 HydrophobicContact CE2-CG1 4.38Å; Y527-V684 HydrophobicContact CG-CG2 4.23Å; Y527-K687 HydrophobicContact CE1-CB 3.93Å; Y527-K687 HydrophobicContact CE1-CG 4.12Å; Y527-K687 HydrophobicContact CE2-CB 4.17Å; Y527-K687 WeakPolarHBondContact OH-CB 3.26Å; Y527-V688 HydrophobicContact CE2-CG1 3.86Å; Y527-R691 PolarHBondContact OH-NH1 3.22Å; Y527-R691 VanDerWaalsContact OH-NH1 3.17Å
528	F	96.4	Very high	92.6	Very high	6 Å²	6	16.9 Å²	16.9	3%	0.026	9%	0.086	C	C	.	.	H	α-helix	trans	-78.9	-38.1	177.3	-171.7	-112.4	0	0	0	112.1	Y524 A525 H526 K534 W537 V598 M623 Y650 F676 F680	Y524-F528 PolarHBondContact O-N 2.99Å; A525-F528 PolarHBondContact O-N 3.01Å; H526-F528 PolarHBondContact O-N 3.02Å; F528-K534 WeakPolarHBondContact O-CE 3.33Å; F528-W537 HydrophobicContact CD2-CH2 4.2Å; F528-W537 HydrophobicContact CD2-CZ2 4.14Å; F528-W537 HydrophobicContact CE2-CH2 4.15Å; F528-W537 HydrophobicContact CE2-CZ2 4.49Å; F528-V598 HydrophobicContact CD1-CB 3.67Å; F528-V598 HydrophobicContact CD1-CG1 3.62Å; F528-V598 HydrophobicContact CD1-CG2 4.15Å; F528-V598 HydrophobicContact CE1-CB 4.12Å; F528-V598 HydrophobicContact CE1-CG1 3.91Å; F528-M623 HydrophobicContact CD1-CB 3.59Å; F528-M623 HydrophobicContact CD1-CE 4.48Å; F528-M623 HydrophobicContact CD1-CG 4.05Å; F528-M623 HydrophobicContact CD2-CE 3.98Å; F528-M623 HydrophobicContact CE1-CB 3.51Å; F528-M623 HydrophobicContact CE1-CE 4.4Å; F528-M623 HydrophobicContact CE1-CG 4.33Å; F528-M623 HydrophobicContact CE2-CE 3.91Å; F528-M623 HydrophobicContact CG-CB 4.37Å; F528-M623 HydrophobicContact CG-CE 4.29Å; F528-M623 HydrophobicContact CG-CG 4.38Å; F528-M623 HydrophobicContact CZ-CB 4.26Å; F528-M623 HydrophobicContact CZ-CE 4.11Å; F528-Y650 HydrophobicContact CZ-CE2 4.35Å; F528-F676 AromaticContact CE2-CZ 3.89Å; F528-F676 HydrophobicContact CE2-CZ 3.89Å; F528-F680 HydrophobicContact CB-CE1 3.84Å; F528-F680 HydrophobicContact CB-CE2 4.38Å; F528-F680 HydrophobicContact CB-CZ 3.52Å; F528-F680 HydrophobicContact CD2-CD1 4.41Å; F528-F680 HydrophobicContact CD2-CE1 4Å; F528-F680 HydrophobicContact CD2-CE2 4.49Å; F528-F680 HydrophobicContact CD2-CZ 4.08Å; F528-F680 HydrophobicContact CG-CE1 4.29Å; F528-F680 HydrophobicContact CG-CZ 4.27Å
529	F	95.9	Very high	92.2	Very high	6 Å²	6	16.7 Å²	16.7	3%	0.026	8%	0.082	C	C	.	.	H	α-helix	trans	-77.4	-45	-178.8	177.2	-112.3	0	0	0	113	A525 H526 D553 M555 S576 I578 V598	A525-F529 WeakPolarHBondContact O-CB 3.22Å; A525-F529 PolarHBondContact O-N 2.84Å; H526-F529 PolarHBondContact O-N 3.24Å; F529-D553 WeakPolarHBondContact CZ-O 3.23Å; F529-M555 HydrophobicContact CD1-CE 4.02Å; F529-M555 HydrophobicContact CD2-CE 4.29Å; F529-M555 HydrophobicContact CE1-CE 3.4Å; F529-M555 HydrophobicContact CE2-CE 3.72Å; F529-M555 HydrophobicContact CG-CE 4.43Å; F529-M555 HydrophobicContact CZ-CE 3.23Å; F529-S576 WeakPolarHBondContact CD2-OG 3.31Å; F529-I578 HydrophobicContact CB-CB 4.45Å; F529-I578 HydrophobicContact CB-CD1 4.05Å; F529-I578 HydrophobicContact CD1-CB 4.18Å; F529-I578 HydrophobicContact CD1-CD1 4.34Å; F529-I578 HydrophobicContact CD1-CG2 3.77Å; F529-I578 HydrophobicContact CD2-CB 3.8Å; F529-I578 HydrophobicContact CD2-CG2 4.04Å; F529-I578 HydrophobicContact CE1-CB 4.36Å; F529-I578 HydrophobicContact CE1-CG2 3.57Å; F529-I578 HydrophobicContact CE2-CB 4Å; F529-I578 HydrophobicContact CE2-CG2 3.85Å; F529-I578 HydrophobicContact CG-CB 3.89Å; F529-I578 HydrophobicContact CG-CD1 4.21Å; F529-I578 HydrophobicContact CG-CG2 4Å; F529-I578 HydrophobicContact CZ-CB 4.27Å; F529-I578 HydrophobicContact CZ-CG2 3.61Å; F529-V598 HydrophobicContact CB-CG1 4.11Å; F529-V598 HydrophobicContact CB-CG2 3.94Å; F529-V598 HydrophobicContact CD2-CG1 4.03Å
530	E	93.7	Very high	91.8	Very high	8 Å²	8	18.5 Å²	18.5	4%	0.037	9%	0.093	C	C	.	.			trans	-71.8	124.6	-172	-71.5	-70.9	-172.5	0	0	112.1	R428 H526 E532 Y533	R428-E530 VanDerWaalsContact CD-OE1 3.3Å; R428-E530 WeakPolarHBondContact CD-OE1 3.42Å; R428-E530 IonicContact NE-OE1 2.77Å; R428-E530 PolarHBondContact NE-OE1 2.97Å; H526-E530 VanDerWaalsContact CE1-CG 3.47Å; H526-E530 WeakPolarHBondContact CE1-CG 3.37Å; H526-E530 IonicContact CE1-OE1 3.46Å; H526-E530 WeakPolarHBondContact O-CG 3.38Å; H526-E530 PolarHBondContact O-N 3Å; E530-E532 VanDerWaalsContact C-N 3.26Å; E530-E532 PolarHBondContact O-N 3.34Å; E530-Y533 HydrophobicContact CB-CD2 3.63Å; E530-Y533 HydrophobicContact CB-CE2 3.64Å; E530-Y533 HydrophobicContact CG-CE2 4.16Å; E530-Y533 PolarHBondContact O-N 3.18Å
531	P	92.7	Very high	91.6	Very high	11 Å²	11	18.6 Å²	18.6	7%	0.071	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-70	-22.4	-174.7	27.7	-35.1	0	0	0	113.4	Y533 K534 V544 V546 M555 L557	P531-Y533 PolarHBondContact O-N 3.32Å; P531-K534 WeakPolarHBondContact O-CB 3.44Å; P531-K534 PolarHBondContact O-N 3.45Å; P531-V544 HydrophobicContact CB-CG1 4.33Å; P531-V546 HydrophobicContact CB-CG2 3.98Å; P531-V546 HydrophobicContact CG-CG2 3.62Å; P531-M555 HydrophobicContact CG-CE 4.49Å; P531-M555 HydrophobicContact CG-SD 3.83Å; P531-L557 HydrophobicContact CB-CD2 3.91Å; P531-L557 HydrophobicContact CG-CD2 4.41Å
532	E	89.7	Confident	91.5	Very high	131 Å²	131	24 Å²	24	61%	0.612	12%	0.119	S	C	*	.	G	3₁₀ helix	trans	-63	-26.9	-177.7	-64.1	175.4	-161.7	0	0	112.5	E530	E530-E532 VanDerWaalsContact C-N 3.26Å; E530-E532 PolarHBondContact O-N 3.34Å
533	Y	90.5	Very high	91.5	Very high	14 Å²	14	28.5 Å²	28.5	6%	0.055	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-94.6	-15.2	-179.9	-50.9	-56.9	0	0	0	113.2	V425 H526 Y527 E530 P531 M535 D536 W537 Y683	V425-Y533 WeakPolarHBondContact CG1-OH 3.41Å; V425-Y533 HydrophobicContact CG2-CE1 4.05Å; H526-Y533 AromaticContact CD2-CE2 3.95Å; H526-Y533 AromaticContact NE2-CE2 3.52Å; Y527-Y533 HydrophobicContact CD1-CD1 4.35Å; Y527-Y533 AromaticContact CD1-CD2 3.65Å; Y527-Y533 HydrophobicContact CD1-CD2 3.65Å; Y527-Y533 AromaticContact CD1-CE2 3.92Å; Y527-Y533 HydrophobicContact CD1-CE2 3.92Å; Y527-Y533 AromaticContact CD1-CG 3.89Å; Y527-Y533 HydrophobicContact CD1-CG 3.89Å; Y527-Y533 HydrophobicContact CE1-CD2 4.33Å; Y527-Y533 HydrophobicContact CE1-CE1 4.43Å; Y527-Y533 HydrophobicContact CE1-CE2 4.22Å; Y527-Y533 HydrophobicContact CE1-CG 4.49Å; E530-Y533 HydrophobicContact CB-CD2 3.63Å; E530-Y533 HydrophobicContact CB-CE2 3.64Å; E530-Y533 HydrophobicContact CG-CE2 4.16Å; E530-Y533 PolarHBondContact O-N 3.18Å; P531-Y533 PolarHBondContact O-N 3.32Å; Y533-M535 VanDerWaalsContact C-N 3.3Å; Y533-M535 PolarHBondContact O-N 2.81Å; Y533-D536 WeakPolarHBondContact O-CB 3.34Å; Y533-D536 PolarHBondContact O-N 2.92Å; Y533-W537 PolarHBondContact O-NE1 3.31Å; Y533-Y683 WeakPolarHBondContact CB-OH 3.39Å; Y533-Y683 WeakPolarHBondContact CD1-OH 3.18Å
534	K	91.4	Very high	91.6	Very high	4 Å²	4	30 Å²	30	2%	0.017	15%	0.149	C	C	.	.	H	α-helix	trans	-53.9	-44.8	-173.2	-81.4	-88	171.1	68.9	0	112.3	F528 P531 D536 W537 D538 L541 V544	F528-K534 WeakPolarHBondContact O-CE 3.33Å; P531-K534 WeakPolarHBondContact O-CB 3.44Å; P531-K534 PolarHBondContact O-N 3.45Å; K534-D536 VanDerWaalsContact C-N 3.26Å; K534-D536 PolarHBondContact O-N 2.97Å; K534-W537 HydrophobicContact CD-CH2 4.19Å; K534-W537 HydrophobicContact CD-CZ2 3.63Å; K534-W537 HydrophobicContact CG-CZ2 4.49Å; K534-W537 PolarHBondContact O-N 2.81Å; K534-D538 WeakPolarHBondContact O-CB 3.16Å; K534-D538 PolarHBondContact O-N 3.27Å; K534-L541 HydrophobicContact CB-CD1 4.2Å; K534-L541 HydrophobicContact CD-CD1 4.3Å; K534-V544 HydrophobicContact CB-CG2 4.2Å
535	M	89.2	Confident	91.6	Very high	82 Å²	82	35.4 Å²	35.4	40%	0.404	17%	0.172	S	C	.	.	H	α-helix	trans	-70.9	-19.1	-179	-64.4	-58.2	-67.5	0	0	113.7	Y533 L541 V544	Y533-M535 VanDerWaalsContact C-N 3.3Å; Y533-M535 PolarHBondContact O-N 2.81Å; M535-L541 HydrophobicContact SD-CB 3.82Å; M535-V544 HydrophobicContact CG-CG2 4.27Å; M535-V544 HydrophobicContact SD-CB 4.26Å; M535-V544 HydrophobicContact SD-CG2 3.6Å
536	D	87.7	Confident	91.7	Very high	39 Å²	39	37.8 Å²	37.8	21%	0.209	19%	0.187	C	C	.	.	H	α-helix	trans	-73.4	-36.6	178.6	-66.5	-9.2	0	0	0	111.4	L418 Y533 K534 Y683	L418-D536 WeakPolarHBondContact CD1-O 3.43Å; Y533-D536 WeakPolarHBondContact O-CB 3.34Å; Y533-D536 PolarHBondContact O-N 2.92Å; K534-D536 VanDerWaalsContact C-N 3.26Å; K534-D536 PolarHBondContact O-N 2.97Å; D536-Y683 HydrophobicContact CB-CD2 4.31Å; D536-Y683 HydrophobicContact CB-CE2 3.38Å; D536-Y683 PolarHBondContact OD2-OH 2.64Å
537	W	86.7	Confident	91.7	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.019	20%	0.195	C	C	.	.	H	α-helix	trans	-114	-29.7	-170.6	65.2	-103.6	0	0	0	113.6	F528 Y533 K534 T539 F676 R679 F680 Y683	F528-W537 HydrophobicContact CD2-CH2 4.2Å; F528-W537 HydrophobicContact CD2-CZ2 4.14Å; F528-W537 HydrophobicContact CE2-CH2 4.15Å; F528-W537 HydrophobicContact CE2-CZ2 4.49Å; Y533-W537 PolarHBondContact O-NE1 3.31Å; K534-W537 HydrophobicContact CD-CH2 4.19Å; K534-W537 HydrophobicContact CD-CZ2 3.63Å; K534-W537 HydrophobicContact CG-CZ2 4.49Å; K534-W537 PolarHBondContact O-N 2.81Å; W537-T539 PolarHBondContact O-N 3.39Å; W537-F676 HydrophobicContact CH2-CD2 4.46Å; W537-F676 AromaticContact CH2-CE2 3.63Å; W537-F676 HydrophobicContact CH2-CE2 3.63Å; W537-F676 HydrophobicContact CH2-CZ 4.34Å; W537-F676 AromaticContact CZ3-CD2 3.77Å; W537-F676 HydrophobicContact CZ3-CD2 3.77Å; W537-F676 AromaticContact CZ3-CE2 3.38Å; W537-F676 HydrophobicContact CZ3-CE2 3.38Å; W537-F676 HydrophobicContact CZ3-CZ 4.35Å; W537-R679 WeakPolarHBondContact O-CD 3.46Å; W537-R679 PolarHBondContact O-NE 3.45Å; W537-F680 AromaticContact CD2-CD2 3.46Å; W537-F680 HydrophobicContact CD2-CD2 3.46Å; W537-F680 VanDerWaalsContact CD2-CD2 3.46Å; W537-F680 HydrophobicContact CD2-CE2 4.11Å; W537-F680 HydrophobicContact CD2-CG 4.39Å; W537-F680 AromaticContact CE2-CD2 3.48Å; W537-F680 VanDerWaalsContact CE2-CD2 3.48Å; W537-F680 AromaticContact CE2-CE2 3.68Å; W537-F680 HydrophobicContact CE3-CB 4.08Å; W537-F680 AromaticContact CE3-CD2 3.78Å; W537-F680 HydrophobicContact CE3-CD2 3.78Å; W537-F680 HydrophobicContact CE3-CG 4.29Å; W537-F680 AromaticContact CG-CD2 3.86Å; W537-F680 HydrophobicContact CG-CD2 3.86Å; W537-F680 HydrophobicContact CG-CE2 4.39Å; W537-F680 HydrophobicContact CH2-CD2 4.19Å; W537-F680 AromaticContact CZ2-CD2 3.85Å; W537-F680 HydrophobicContact CZ2-CD2 3.85Å; W537-F680 AromaticContact CZ2-CE2 3.99Å; W537-F680 HydrophobicContact CZ2-CE2 3.99Å; W537-F680 HydrophobicContact CZ3-CB 4.3Å; W537-F680 HydrophobicContact CZ3-CD2 4.15Å; W537-F680 HydrophobicContact CZ3-CG 4.42Å; W537-F680 AromaticContact NE1-CD2 3.83Å; W537-F680 AromaticContact NE1-CE2 3.68Å; W537-Y683 HydrophobicContact CB-CD1 3.97Å; W537-Y683 HydrophobicContact CB-CD2 3.85Å; W537-Y683 HydrophobicContact CB-CE1 4.49Å; W537-Y683 HydrophobicContact CB-CE2 4.37Å; W537-Y683 HydrophobicContact CB-CG 3.61Å; W537-Y683 AromaticContact CD1-CD1 3.73Å; W537-Y683 AromaticContact CD1-CE1 3.68Å; W537-Y683 HydrophobicContact CG-CD1 4.09Å; W537-Y683 HydrophobicContact CG-CE1 4.42Å; W537-Y683 HydrophobicContact CG-CG 4.24Å
538	D	89.5	Confident	91.6	Very high	18 Å²	18	42.3 Å²	42.3	10%	0.096	21%	0.21	C	C	.	.			trans	-92.6	101	-178.3	-164.9	-19.7	0	0	0	111.3	K534 T540 L541	K534-D538 WeakPolarHBondContact O-CB 3.16Å; K534-D538 PolarHBondContact O-N 3.27Å; D538-T540 VanDerWaalsContact C-N 3.26Å; D538-T540 PolarHBondContact O-N 3Å; D538-T540 WeakPolarHBondContact OD1-CB 3.01Å; D538-T540 PolarHBondContact OD1-N 3.17Å; D538-T540 PolarHBondContact OD1-OG1 3.46Å; D538-L541 HydrophobicContact CB-CD1 3.65Å; D538-L541 HydrophobicContact CB-CG 3.93Å; D538-L541 WeakPolarHBondContact OD2-CD1 3.49Å
539	T	84.3	Confident	91.3	Very high	9 Å²	9	47.2 Å²	47.2	6%	0.055	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-6.3	-179.9	60	0	0	0	0	114.4	K407 D411 W537 L541 K562 R679	K407-T539 PolarHBondContact NZ-O 3.08Å; D411-T539 HydrophobicContact CB-CG2 4.15Å; D411-T539 VanDerWaalsContact CG-CB 3.41Å; D411-T539 WeakPolarHBondContact OD1-CB 3.2Å; D411-T539 WeakPolarHBondContact OD1-CG2 3.31Å; D411-T539 PolarHBondContact OD1-OG1 3.03Å; D411-T539 WeakPolarHBondContact OD2-CB 3.09Å; D411-T539 PolarHBondContact OD2-OG1 3.31Å; W537-T539 PolarHBondContact O-N 3.39Å; T539-L541 PolarHBondContact O-N 3.36Å; T539-K562 VanDerWaalsContact O-CD 3.32Å; T539-K562 WeakPolarHBondContact O-CD 3.46Å; T539-K562 WeakPolarHBondContact O-CE 3.49Å; T539-K562 PolarHBondContact O-NZ 2.86Å; T539-R679 VanDerWaalsContact CG2-NH1 3.32Å
540	T	86.3	Confident	90.8	Very high	39 Å²	39	48.4 Å²	48.4	24%	0.239	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-13.9	174.3	71.8	0	0	0	0	111.6	D538 H561 K562	D538-T540 VanDerWaalsContact C-N 3.26Å; D538-T540 PolarHBondContact O-N 3Å; D538-T540 WeakPolarHBondContact OD1-CB 3.01Å; D538-T540 PolarHBondContact OD1-N 3.17Å; D538-T540 PolarHBondContact OD1-OG1 3.46Å; T540-H561 CarbonylContact O-C 3.51Å; T540-H561 VanDerWaalsContact O-CA 3.29Å; T540-H561 WeakPolarHBondContact O-CA 3.41Å; T540-K562 PolarHBondContact O-N 2.92Å
541	L	90.8	Very high	90.3	Very high	3 Å²	3	50 Å²	50	2%	0.016	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	138.7	-175.9	-55.7	179.2	0	0	0	112.1	K534 M535 D538 T539 V544 Q559 K562	K534-L541 HydrophobicContact CB-CD1 4.2Å; K534-L541 HydrophobicContact CD-CD1 4.3Å; M535-L541 HydrophobicContact SD-CB 3.82Å; D538-L541 HydrophobicContact CB-CD1 3.65Å; D538-L541 HydrophobicContact CB-CG 3.93Å; D538-L541 WeakPolarHBondContact OD2-CD1 3.49Å; T539-L541 PolarHBondContact O-N 3.36Å; L541-V544 HydrophobicContact CB-CG2 4.24Å; L541-V544 HydrophobicContact CD1-CG2 3.43Å; L541-V544 VanDerWaalsContact CD1-CG2 3.43Å; L541-V544 HydrophobicContact CG-CG2 4.31Å; L541-Q559 HydrophobicContact CD2-CB 3.96Å; L541-Q559 HydrophobicContact CD2-CG 4.42Å; L541-K562 VanDerWaalsContact O-CE 3.27Å; L541-K562 WeakPolarHBondContact O-CE 3.4Å
542	E	90.7	Very high	89.9	Confident	114 Å²	114	53.9 Å²	53.9	53%	0.533	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-39.7	167.4	-173.2	172.1	178.3	0	0	110.5	V560 K562 Q569	E542-V560 HydrophobicContact CB-CG1 4.43Å; E542-V560 PolarHBondContact N-O 3.16Å; E542-K562 HydrophobicContact CB-CG 4.16Å; E542-Q569 PolarHBondContact OE2-NE2 2.81Å
543	E	92.9	Very high	89.8	Confident	101 Å²	101	48.5 Å²	48.5	47%	0.472	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	141.8	179.2	-169.5	-178.3	174.3	0	0	110.9	Q559 V560	E543-Q559 WeakPolarHBondContact O-CA 3.45Å; E543-V560 HydrophobicContact CB-CB 4.02Å; E543-V560 HydrophobicContact CB-CG2 4.15Å; E543-V560 PolarHBondContact N-O 3.13Å; E543-V560 PolarHBondContact O-N 3.11Å
544	V	95.7	Very high	89.7	Confident	36 Å²	36	47.9 Å²	47.9	22%	0.218	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	124.1	170.3	178.1	0	0	0	0	109.2	P531 K534 M535 L541 Q559	P531-V544 HydrophobicContact CB-CG1 4.33Å; K534-V544 HydrophobicContact CB-CG2 4.2Å; M535-V544 HydrophobicContact CG-CG2 4.27Å; M535-V544 HydrophobicContact SD-CB 4.26Å; M535-V544 HydrophobicContact SD-CG2 3.6Å; L541-V544 HydrophobicContact CB-CG2 4.24Å; L541-V544 HydrophobicContact CD1-CG2 3.43Å; L541-V544 VanDerWaalsContact CD1-CG2 3.43Å; L541-V544 HydrophobicContact CG-CG2 4.31Å; V544-Q559 HydrophobicContact CG2-CG 4.26Å
545	K	96.1	Very high	89.8	Confident	113 Å²	113	47.7 Å²	47.7	49%	0.491	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.1	179.6	-175.7	176.9	179.8	179.2	0	111.2	V547 L557 H558	K545-V547 PolarHBondContact O-N 3.21Å; K545-L557 WeakPolarHBondContact O-CA 3.02Å; K545-H558 HydrophobicContact CB-CB 4.49Å; K545-H558 PolarHBondContact N-O 3.4Å; K545-H558 PolarHBondContact O-N 3.49Å
546	V	96.6	Very high	90.1	Very high	50 Å²	50	44 Å²	44	30%	0.303	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	110.3	166.4	-172.5	0	0	0	0	107.9	P531 R549 M555 L557	P531-V546 HydrophobicContact CB-CG2 3.98Å; P531-V546 HydrophobicContact CG-CG2 3.62Å; V546-R549 HydrophobicContact CG1-CG 3.68Å; V546-M555 HydrophobicContact CG1-CB 4.4Å; V546-M555 HydrophobicContact CG1-SD 4.44Å; V546-M555 HydrophobicContact CG2-SD 4.47Å; V546-L557 HydrophobicContact CB-CD2 4.33Å; V546-L557 HydrophobicContact CG2-CD2 3.76Å
547	V	94.7	Very high	90.6	Very high	31 Å²	31	42.1 Å²	42.1	19%	0.188	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-46	-177.8	179	0	0	0	0	110.6	K545 I556 H558 L573 H605 A607 V608	K545-V547 PolarHBondContact O-N 3.21Å; V547-I556 HydrophobicContact CB-CB 4.28Å; V547-I556 HydrophobicContact CB-CG2 4.02Å; V547-I556 HydrophobicContact CG2-CG2 4.42Å; V547-I556 PolarHBondContact N-O 3.22Å; V547-H558 HydrophobicContact CG2-CB 3.56Å; V547-L573 HydrophobicContact CG2-CD1 4Å; V547-H605 WeakPolarHBondContact CG1-ND1 3.4Å; V547-A607 HydrophobicContact CG1-CB 4.21Å; V547-V608 HydrophobicContact CG1-CG2 4.11Å; V547-V608 HydrophobicContact CG2-CG2 3.77Å
548	E	91.4	Very high	91.1	Very high	69 Å²	69	42.9 Å²	42.9	32%	0.322	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	138	-179	-174.1	177.7	-175.6	0	0	109.1	L550 M555 I556 H605	E548-L550 HydrophobicContact CG-CD2 4.05Å; E548-M555 CarbonylContact O-C 3.52Å; E548-M555 WeakPolarHBondContact O-CA 3.39Å; E548-I556 HydrophobicContact CB-CB 4.38Å; E548-I556 HydrophobicContact CB-CD1 4.32Å; E548-I556 HydrophobicContact CB-CG1 4.49Å; E548-I556 PolarHBondContact O-N 3.22Å; E548-H605 IonicContact OE2-CD2 2.82Å; E548-H605 IonicContact OE2-NE2 2.6Å; E548-H605 PolarHBondContact OE2-NE2 2.96Å
549	R	89.9	Confident	91.4	Very high	109 Å²	109	42.6 Å²	42.6	41%	0.411	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	112.4	167.7	-69.8	-173.1	-177.5	-94.6	5.6	108.1	V546 M555	V546-R549 HydrophobicContact CG1-CG 3.68Å; R549-M555 HydrophobicContact CG-CB 4.19Å
550	L	86.9	Confident	91.9	Very high	31 Å²	31	42.8 Å²	42.8	16%	0.162	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	-35.9	-176.5	-54.3	165.8	0	0	0	110.7	F460 L461 I464 E548 S554 I556	F460-L550 HydrophobicContact CD1-CD1 3.92Å; F460-L550 HydrophobicContact CD1-CD2 4.45Å; F460-L550 HydrophobicContact CE1-CD1 3.58Å; F460-L550 HydrophobicContact CE1-CD2 4.43Å; L461-L550 HydrophobicContact CD2-CB 4.26Å; I464-L550 HydrophobicContact CD1-CD1 3.91Å; E548-L550 HydrophobicContact CG-CD2 4.05Å; L550-S554 PolarHBondContact N-O 3.45Å; L550-I556 HydrophobicContact CD1-CG1 4.15Å; L550-I556 HydrophobicContact CD2-CD1 4.32Å; L550-I556 HydrophobicContact CG-CG1 4.41Å
551	S	82.5	Confident	92.1	Very high	40 Å²	40	42.8 Å²	42.8	28%	0.28	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	178.8	179.6	52	0	0	0	0	109.7	D553 S554	S551-D553 WeakPolarHBondContact CB-OD1 3.29Å; S551-D553 PolarHBondContact O-N 2.73Å; S551-D553 PolarHBondContact OG-OD1 3.43Å; S551-S554 PolarHBondContact N-O 3.06Å; S551-S554 VanDerWaalsContact N-O 3.1Å; S551-S554 PolarHBondContact O-N 2.99Å; S551-S554 VanDerWaalsContact O-O 3.08Å; S551-S554 WeakPolarHBondContact OG-CB 3.45Å; S551-S554 PolarHBondContact OG-N 3.47Å; S551-S554 VanDerWaalsContact OG-N 3.15Å; S551-S554 PolarHBondContact OG-OG 3.23Å; S551-S554 VanDerWaalsContact OG-OG 3.13Å
552	D	84.6	Confident	91.8	Very high	93 Å²	93	45.4 Å²	45.4	50%	0.497	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.6	175	-77.8	-13.6	0	0	0	112.7	R432	R432-D552 IonicContact NH1-OD2 2.56Å; R432-D552 PolarHBondContact NH1-OD2 2.77Å
553	D	87	Confident	91.4	Very high	18 Å²	18	46.7 Å²	46.7	10%	0.096	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-1.5	-176	63.3	14.6	0	0	0	114.2	V433 F529 S551 H577 I578 R579	V433-D553 HydrophobicContact CG2-CB 4.23Å; F529-D553 WeakPolarHBondContact CZ-O 3.23Å; S551-D553 WeakPolarHBondContact CB-OD1 3.29Å; S551-D553 PolarHBondContact O-N 2.73Å; S551-D553 PolarHBondContact OG-OD1 3.43Å; D553-H577 WeakPolarHBondContact O-CA 3.38Å; D553-H577 PolarHBondContact O-ND1 3.36Å; D553-H577 IonicContact OD1-CE1 3.64Å; D553-I578 HydrophobicContact CB-CG2 3.91Å; D553-I578 PolarHBondContact O-N 3.16Å; D553-R579 IonicContact OD1-NH2 3.8Å; D553-R579 IonicContact OD2-CZ 3.21Å; D553-R579 IonicContact OD2-NH1 2.87Å; D553-R579 PolarHBondContact OD2-NH1 3.5Å; D553-R579 IonicContact OD2-NH2 3.73Å; D553-R579 PolarHBondContact OD2-NH2 3.27Å
554	S	88.6	Confident	90.1	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	127.5	-175.2	-47.8	0	0	0	0	111.5	L550 S551 S576 H577	L550-S554 PolarHBondContact N-O 3.45Å; S551-S554 PolarHBondContact N-O 3.06Å; S551-S554 VanDerWaalsContact N-O 3.1Å; S551-S554 PolarHBondContact O-N 2.99Å; S551-S554 VanDerWaalsContact O-O 3.08Å; S551-S554 WeakPolarHBondContact OG-CB 3.45Å; S551-S554 PolarHBondContact OG-N 3.47Å; S551-S554 VanDerWaalsContact OG-N 3.15Å; S551-S554 PolarHBondContact OG-OG 3.23Å; S551-S554 VanDerWaalsContact OG-OG 3.13Å; S554-S576 WeakPolarHBondContact CA-O 3.27Å; S554-H577 PolarHBondContact OG-CE1 2.93Å; S554-H577 PolarHBondContact OG-ND1 2.89Å
555	M	94	Very high	88.8	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	155.5	178.2	67.5	-175.3	101.2	0	0	112	F529 P531 V546 E548 R549 L557 W575 S576	F529-M555 HydrophobicContact CD1-CE 4.02Å; F529-M555 HydrophobicContact CD2-CE 4.29Å; F529-M555 HydrophobicContact CE1-CE 3.4Å; F529-M555 HydrophobicContact CE2-CE 3.72Å; F529-M555 HydrophobicContact CG-CE 4.43Å; F529-M555 HydrophobicContact CZ-CE 3.23Å; P531-M555 HydrophobicContact CG-CE 4.49Å; P531-M555 HydrophobicContact CG-SD 3.83Å; V546-M555 HydrophobicContact CG1-CB 4.4Å; V546-M555 HydrophobicContact CG1-SD 4.44Å; V546-M555 HydrophobicContact CG2-SD 4.47Å; E548-M555 CarbonylContact O-C 3.52Å; E548-M555 WeakPolarHBondContact O-CA 3.39Å; R549-M555 HydrophobicContact CG-CB 4.19Å; M555-L557 HydrophobicContact CG-CD2 4.21Å; M555-L557 HydrophobicContact CG-CG 4.15Å; M555-L557 HydrophobicContact SD-CD2 3.94Å; M555-L557 HydrophobicContact SD-CG 4.4Å; M555-W575 CarbonylContact O-C 3.53Å; M555-W575 VanDerWaalsContact O-CA 3.28Å; M555-W575 WeakPolarHBondContact O-CA 3.45Å; M555-S576 PolarHBondContact N-O 2.82Å; M555-S576 PolarHBondContact O-N 3.07Å
556	I	95.6	Very high	86.7	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124	172.6	-57.2	-179.1	0	0	0	108.6	F460 V547 E548 L550 L573 F574 W575 T603	F460-I556 HydrophobicContact CE1-CD1 4.47Å; V547-I556 HydrophobicContact CB-CB 4.28Å; V547-I556 HydrophobicContact CB-CG2 4.02Å; V547-I556 HydrophobicContact CG2-CG2 4.42Å; V547-I556 PolarHBondContact N-O 3.22Å; E548-I556 HydrophobicContact CB-CB 4.38Å; E548-I556 HydrophobicContact CB-CD1 4.32Å; E548-I556 HydrophobicContact CB-CG1 4.49Å; E548-I556 PolarHBondContact O-N 3.22Å; L550-I556 HydrophobicContact CD1-CG1 4.15Å; L550-I556 HydrophobicContact CD2-CD1 4.32Å; L550-I556 HydrophobicContact CG-CG1 4.41Å; I556-L573 HydrophobicContact CG2-CD1 3.81Å; I556-L573 HydrophobicContact CG2-CG 4.45Å; I556-F574 WeakPolarHBondContact CA-O 3.34Å; I556-W575 HydrophobicContact CG1-CB 4.33Å; I556-T603 HydrophobicContact CG2-CG2 4.2Å
557	L	97.3	Very high	85.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.4	178.9	-64.5	176.7	0	0	0	110.2	P531 K545 V546 M555 L573 F574	P531-L557 HydrophobicContact CB-CD2 3.91Å; P531-L557 HydrophobicContact CG-CD2 4.41Å; K545-L557 WeakPolarHBondContact O-CA 3.02Å; V546-L557 HydrophobicContact CB-CD2 4.33Å; V546-L557 HydrophobicContact CG2-CD2 3.76Å; M555-L557 HydrophobicContact CG-CD2 4.21Å; M555-L557 HydrophobicContact CG-CG 4.15Å; M555-L557 HydrophobicContact SD-CD2 3.94Å; M555-L557 HydrophobicContact SD-CG 4.4Å; L557-L573 WeakPolarHBondContact O-CA 3.18Å; L557-F574 HydrophobicContact CB-CD2 4.48Å; L557-F574 HydrophobicContact CB-CE1 4.29Å; L557-F574 HydrophobicContact CB-CE2 4.01Å; L557-F574 HydrophobicContact CB-CZ 3.9Å; L557-F574 HydrophobicContact CD1-CE2 3.87Å; L557-F574 HydrophobicContact CD1-CZ 4.05Å; L557-F574 HydrophobicContact CG-CE2 4.44Å; L557-F574 PolarHBondContact N-O 3.49Å; L557-F574 PolarHBondContact O-N 3.35Å
558	H	97.3	Very high	84.7	Confident	20 Å²	20	39 Å²	39	9%	0.093	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.3	166.1	175.3	-129	0	0	0	108.3	K545 V547 E571 S572 L573 V608	K545-H558 HydrophobicContact CB-CB 4.49Å; K545-H558 PolarHBondContact N-O 3.4Å; K545-H558 PolarHBondContact O-N 3.49Å; V547-H558 HydrophobicContact CG2-CB 3.56Å; H558-E571 IonicContact CD2-OE2 3.09Å; H558-E571 IonicContact CE1-OE2 3.63Å; H558-E571 IonicContact NE2-OE2 3.41Å; H558-E571 PolarHBondContact NE2-OE2 2.99Å; H558-S572 WeakPolarHBondContact CA-O 3.43Å; H558-S572 PolarHBondContact CD2-O 3.11Å; H558-L573 HydrophobicContact CB-CD1 3.95Å; H558-V608 HydrophobicContact CB-CG2 4.42Å
559	Q	96.1	Very high	84.4	Confident	12 Å²	12	37.8 Å²	37.8	6%	0.056	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	130.6	-178.8	-59	-175.4	-40.7	0	0	109.9	L541 E543 V544 E571 S572 F574	L541-Q559 HydrophobicContact CD2-CB 3.96Å; L541-Q559 HydrophobicContact CD2-CG 4.42Å; E543-Q559 WeakPolarHBondContact O-CA 3.45Å; V544-Q559 HydrophobicContact CG2-CG 4.26Å; Q559-E571 CarbonylContact O-C 3.59Å; Q559-E571 WeakPolarHBondContact O-CA 3.27Å; Q559-S572 PolarHBondContact N-O 2.76Å; Q559-S572 PolarHBondContact O-N 2.82Å; Q559-S572 PolarHBondContact OE1-OG 3.16Å; Q559-F574 HydrophobicContact CG-CE1 3.87Å; Q559-F574 HydrophobicContact CG-CZ 4.17Å; Q559-F574 VanDerWaalsContact OE1-CE1 3.25Å
560	V	94.2	Very high	84.4	Confident	13 Å²	13	33.5 Å²	33.5	8%	0.079	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	127.3	171.5	-177.7	0	0	0	0	107.9	E542 E543 Q569	E542-V560 HydrophobicContact CB-CG1 4.43Å; E542-V560 PolarHBondContact N-O 3.16Å; E543-V560 HydrophobicContact CB-CB 4.02Å; E543-V560 HydrophobicContact CB-CG2 4.15Å; E543-V560 PolarHBondContact N-O 3.13Å; E543-V560 PolarHBondContact O-N 3.11Å; V560-Q569 HydrophobicContact CG1-CG 4.25Å
561	H	90.8	Very high	84.8	Confident	39 Å²	39	32.5 Å²	32.5	18%	0.181	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	140	-176.3	-63.3	-96.4	0	0	0	110.3	T540 Q569 R570 S572	T540-H561 CarbonylContact O-C 3.51Å; T540-H561 VanDerWaalsContact O-CA 3.29Å; T540-H561 WeakPolarHBondContact O-CA 3.41Å; H561-Q569 VanDerWaalsContact O-CG 3.27Å; H561-Q569 WeakPolarHBondContact O-CG 3.4Å; H561-Q569 PolarHBondContact O-NE2 3.17Å; H561-R570 HydrophobicContact CB-CB 4.39Å; H561-R570 PolarHBondContact N-O 2.97Å; H561-S572 PolarHBondContact NE2-OG 2.97Å
562	K	85.9	Confident	85.5	Confident	59 Å²	59	30.7 Å²	30.7	26%	0.257	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-58.4	146.3	170	-65.2	-172.1	-171.5	171.5	0	109.7	T539 T540 L541 E542 V564	T539-K562 VanDerWaalsContact O-CD 3.32Å; T539-K562 WeakPolarHBondContact O-CD 3.46Å; T539-K562 WeakPolarHBondContact O-CE 3.49Å; T539-K562 PolarHBondContact O-NZ 2.86Å; T540-K562 PolarHBondContact O-N 2.92Å; L541-K562 VanDerWaalsContact O-CE 3.27Å; L541-K562 WeakPolarHBondContact O-CE 3.4Å; E542-K562 HydrophobicContact CB-CG 4.16Å; K562-V564 PolarHBondContact O-N 2.94Å
563	R	80.3	Confident	86.1	Confident	141 Å²	141	26.3 Å²	26.3	53%	0.532	13%	0.131	S	C	.	.			trans	-69.1	115.3	173.6	-169.5	-178.9	-63.4	-152	5.9	109.4	W565 P566	R563-W565 WeakPolarHBondContact CD-O 3.26Å; R563-W565 WeakPolarHBondContact CG-O 3.36Å; R563-P566 PolarHBondContact NH1-O 2.8Å
564	V	67.6	Low	86.6	Confident	21 Å²	21	25.6 Å²	25.6	13%	0.127	13%	0.127	C	C	.	.			trans	-100.4	-12.3	177.8	-107.2	0	0	0	0	113	A403 L404 K407 K562	A403-V564 WeakPolarHBondContact CB-O 3.39Å; L404-V564 HydrophobicContact CD2-CB 4.16Å; L404-V564 HydrophobicContact CD2-CG1 3.76Å; K407-V564 HydrophobicContact CD-CG1 3.34Å; K562-V564 PolarHBondContact O-N 2.94Å
565	W	67.2	Low	87	Confident	32 Å²	32	25.8 Å²	25.8	12%	0.121	13%	0.128	C	C	.	.	S	Bend	trans	-153.2	169.5	178.5	62.4	96.1	0	0	0	111.4	V400 R563 A567 V668	V400-W565 HydrophobicContact CG2-CB 3.63Å; R563-W565 WeakPolarHBondContact CD-O 3.26Å; R563-W565 WeakPolarHBondContact CG-O 3.36Å; W565-A567 PolarHBondContact O-N 3.24Å; W565-V668 HydrophobicContact CZ3-CG1 4.41Å
566	P	51.6	Low	87.2	Confident	25 Å²	25	25.8 Å²	25.8	16%	0.162	13%	0.127	C	C	.	.	S	Bend	trans	-59	-18.5	-167.9	-26.2	33.6	0	0	0	117.2	I112 A399 R563	I112-P566 HydrophobicContact CD1-CB 3.89Å; I112-P566 HydrophobicContact CD1-CG 4.31Å; A399-P566 HydrophobicContact CB-CG 3.97Å; R563-P566 PolarHBondContact NH1-O 2.8Å
567	A	69.1	Low	87.1	Confident	29 Å²	29	25.6 Å²	25.6	24%	0.24	13%	0.127	C	C	.	.	S	Bend	trans	-74	175.1	-175.4	0	0	0	0	0	113.7	W565 R570	W565-A567 PolarHBondContact O-N 3.24Å; A567-R570 VanDerWaalsContact CB-NH1 3.3Å
568	S	79.8	Confident	87	Confident	63 Å²	63	25.8 Å²	25.8	44%	0.441	13%	0.127	S	C	.	.			trans	-51.5	149.2	179.2	-56.3	0	0	0	0	113.2	R570	S568-R570 VanDerWaalsContact O-CD 3.23Å; S568-R570 WeakPolarHBondContact O-CD 3.44Å; S568-R570 PolarHBondContact O-NH1 2.96Å
569	Q	86.7	Confident	86.5	Confident	43 Å²	43	25.6 Å²	25.6	20%	0.201	13%	0.126	C	C	.	.			trans	-62.1	152.4	176.7	-172.9	164.2	34.9	0	0	111.6	E542 V560 H561 I614 V615	E542-Q569 PolarHBondContact OE2-NE2 2.81Å; V560-Q569 HydrophobicContact CG1-CG 4.25Å; H561-Q569 VanDerWaalsContact O-CG 3.27Å; H561-Q569 WeakPolarHBondContact O-CG 3.4Å; H561-Q569 PolarHBondContact O-NE2 3.17Å; Q569-I614 HydrophobicContact CB-CG1 4.47Å; Q569-I614 HydrophobicContact CB-CG2 4.24Å; Q569-I614 HydrophobicContact CG-CG2 4.29Å; Q569-I614 WeakPolarHBondContact O-CA 3.2Å; Q569-I614 WeakPolarHBondContact O-CG2 3.46Å; Q569-V615 PolarHBondContact O-N 2.77Å
570	R	90.2	Very high	86.1	Confident	19 Å²	19	27.7 Å²	27.7	7%	0.072	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	146	179.4	-89.4	67.4	178.8	-168.6	0.5	111.7	H561 A567 S568 V615 V617 G657	H561-R570 HydrophobicContact CB-CB 4.39Å; H561-R570 PolarHBondContact N-O 2.97Å; A567-R570 VanDerWaalsContact CB-NH1 3.3Å; S568-R570 VanDerWaalsContact O-CD 3.23Å; S568-R570 WeakPolarHBondContact O-CD 3.44Å; S568-R570 PolarHBondContact O-NH1 2.96Å; R570-V615 CarbonylContact C-O 3.34Å; R570-V615 VanDerWaalsContact CA-O 3.29Å; R570-V615 WeakPolarHBondContact CA-O 3.49Å; R570-V615 HydrophobicContact CG-CB 4.35Å; R570-V617 HydrophobicContact CB-CG2 3.64Å; R570-V617 HydrophobicContact CG-CG2 3.49Å; R570-V617 VanDerWaalsContact CG-CG2 3.49Å; R570-G657 PolarHBondContact NH2-O 2.73Å
571	E	95.2	Very high	85.5	Confident	10 Å²	10	27.6 Å²	27.6	5%	0.047	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	149.2	168.8	59.8	172.9	-169.6	0	0	110.5	H558 Q559 I614 V615 R616 V617	H558-E571 IonicContact CD2-OE2 3.09Å; H558-E571 IonicContact CE1-OE2 3.63Å; H558-E571 IonicContact NE2-OE2 3.41Å; H558-E571 PolarHBondContact NE2-OE2 2.99Å; Q559-E571 CarbonylContact O-C 3.59Å; Q559-E571 WeakPolarHBondContact O-CA 3.27Å; E571-I614 HydrophobicContact CB-CG2 3.8Å; E571-I614 HydrophobicContact CG-CB 4.4Å; E571-I614 HydrophobicContact CG-CG2 3.65Å; E571-V615 PolarHBondContact N-O 2.81Å; E571-R616 CarbonylContact O-C 3.4Å; E571-R616 WeakPolarHBondContact O-CA 3.43Å; E571-R616 IonicContact OE1-CZ 2.78Å; E571-R616 IonicContact OE1-NE 3.28Å; E571-R616 PolarHBondContact OE1-NE 3.47Å; E571-R616 IonicContact OE1-NH2 2.92Å; E571-R616 PolarHBondContact OE1-NH2 3.41Å; E571-R616 IonicContact OE2-NH2 2.91Å; E571-V617 PolarHBondContact O-N 2.9Å
572	S	95.7	Very high	84.7	Confident	1 Å²	1	29.9 Å²	29.9	1%	0.007	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	142	170.2	57.4	0	0	0	0	110.5	H558 Q559 H561	H558-S572 WeakPolarHBondContact CA-O 3.43Å; H558-S572 PolarHBondContact CD2-O 3.11Å; Q559-S572 PolarHBondContact N-O 2.76Å; Q559-S572 PolarHBondContact O-N 2.82Å; Q559-S572 PolarHBondContact OE1-OG 3.16Å; H561-S572 PolarHBondContact NE2-OG 2.97Å
573	L	97.7	Very high	83.7	Confident	1 Å²	1	33 Å²	33	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	115	173.5	179.3	72.9	0	0	0	107.7	V547 I556 L557 H558 D602 T603 H605 V608	V547-L573 HydrophobicContact CG2-CD1 4Å; I556-L573 HydrophobicContact CG2-CD1 3.81Å; I556-L573 HydrophobicContact CG2-CG 4.45Å; L557-L573 WeakPolarHBondContact O-CA 3.18Å; H558-L573 HydrophobicContact CB-CD1 3.95Å; L573-D602 VanDerWaalsContact O-CA 3.31Å; L573-D602 WeakPolarHBondContact O-CA 3.32Å; L573-T603 WeakPolarHBondContact CD2-O 3.47Å; L573-T603 HydrophobicContact CG-CG2 4.27Å; L573-T603 PolarHBondContact O-N 3.43Å; L573-H605 HydrophobicContact CD2-CB 3.77Å; L573-V608 HydrophobicContact CD1-CB 4.21Å; L573-V608 HydrophobicContact CD1-CG2 4.22Å; L573-V608 HydrophobicContact CD2-CB 4.16Å
574	F	98.1	Very high	83.2	Confident	3 Å²	3	27.6 Å²	27.6	1%	0.013	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	152.2	-173	57.3	-85.7	0	0	0	110.5	I556 L557 Q559 N600 H601 L619	I556-F574 WeakPolarHBondContact CA-O 3.34Å; L557-F574 HydrophobicContact CB-CD2 4.48Å; L557-F574 HydrophobicContact CB-CE1 4.29Å; L557-F574 HydrophobicContact CB-CE2 4.01Å; L557-F574 HydrophobicContact CB-CZ 3.9Å; L557-F574 HydrophobicContact CD1-CE2 3.87Å; L557-F574 HydrophobicContact CD1-CZ 4.05Å; L557-F574 HydrophobicContact CG-CE2 4.44Å; L557-F574 PolarHBondContact N-O 3.49Å; L557-F574 PolarHBondContact O-N 3.35Å; Q559-F574 HydrophobicContact CG-CE1 3.87Å; Q559-F574 HydrophobicContact CG-CZ 4.17Å; Q559-F574 VanDerWaalsContact OE1-CE1 3.25Å; F574-N600 HydrophobicContact CD2-CB 3.61Å; F574-N600 HydrophobicContact CE2-CB 3.87Å; F574-N600 HydrophobicContact CG-CB 4.46Å; F574-H601 CarbonylContact C-O 3.58Å; F574-H601 WeakPolarHBondContact CA-O 3.37Å; F574-H601 VanDerWaalsContact CB-C 3.47Å; F574-H601 WeakPolarHBondContact CB-O 3.48Å; F574-L619 HydrophobicContact CB-CD1 3.87Å; F574-L619 HydrophobicContact CB-CG 4.44Å; F574-L619 HydrophobicContact CD1-CD1 4.24Å; F574-L619 HydrophobicContact CD1-CD2 3.93Å; F574-L619 HydrophobicContact CD2-CD1 4.45Å; F574-L619 HydrophobicContact CE1-CD2 4.36Å; F574-L619 HydrophobicContact CG-CD1 3.96Å; F574-L619 HydrophobicContact CG-CD2 4.47Å
575	W	96.9	Very high	82.9	Confident	6 Å²	6	27.9 Å²	27.9	2%	0.023	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	142.4	161.1	52.9	-99	0	0	0	108.9	F460 I464 L467 M555 I556 H577 C599 N600 H601	F460-W575 AromaticContact CZ-CD1 3.73Å; F460-W575 HydrophobicContact CZ-CG 4.38Å; I464-W575 HydrophobicContact CD1-CB 4.37Å; I464-W575 HydrophobicContact CD1-CD2 4.21Å; I464-W575 HydrophobicContact CD1-CG 4.15Å; I464-W575 HydrophobicContact CG1-CD2 3.77Å; I464-W575 HydrophobicContact CG1-CE3 4.09Å; I464-W575 HydrophobicContact CG1-CG 4.13Å; I464-W575 HydrophobicContact CG1-CH2 4.47Å; I464-W575 HydrophobicContact CG1-CZ2 4.14Å; I464-W575 HydrophobicContact CG1-CZ3 4.44Å; I464-W575 HydrophobicContact CG2-CE3 3.99Å; I464-W575 HydrophobicContact CG2-CH2 4.26Å; I464-W575 HydrophobicContact CG2-CZ3 3.87Å; L467-W575 HydrophobicContact CB-CH2 4.05Å; L467-W575 HydrophobicContact CB-CZ2 4.11Å; L467-W575 HydrophobicContact CD1-CZ2 3.78Å; M555-W575 CarbonylContact O-C 3.53Å; M555-W575 VanDerWaalsContact O-CA 3.28Å; M555-W575 WeakPolarHBondContact O-CA 3.45Å; I556-W575 HydrophobicContact CG1-CB 4.33Å; W575-H577 HydrophobicContact CE3-CB 3.94Å; W575-H577 HydrophobicContact CZ3-CB 3.89Å; W575-C599 HydrophobicContact CZ3-CB 4.07Å; W575-N600 CarbonylContact O-C 3.59Å; W575-N600 VanDerWaalsContact O-CA 3.25Å; W575-N600 WeakPolarHBondContact O-CA 3.38Å; W575-H601 HydrophobicContact CD2-CB 4.13Å; W575-H601 AromaticContact CE2-CD2 3.98Å; W575-H601 HydrophobicContact CE3-CB 4.42Å; W575-H601 HydrophobicContact CH2-CB 3.63Å; W575-H601 HydrophobicContact CZ2-CB 3.28Å; W575-H601 AromaticContact CZ2-CD2 3.84Å; W575-H601 AromaticContact CZ2-CG 3.77Å; W575-H601 HydrophobicContact CZ3-CB 4.18Å; W575-H601 PolarHBondContact N-O 3.03Å; W575-H601 AromaticContact NE1-CD2 3.71Å; W575-H601 PolarHBondContact O-N 3.22Å
576	S	97.3	Very high	82.7	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.3	172.2	-171.3	0	0	0	0	108	F529 S554 M555 C599 N600	F529-S576 WeakPolarHBondContact CD2-OG 3.31Å; S554-S576 WeakPolarHBondContact CA-O 3.27Å; M555-S576 PolarHBondContact N-O 2.82Å; M555-S576 PolarHBondContact O-N 3.07Å; S576-C599 CarbonylContact C-O 3.57Å; S576-C599 WeakPolarHBondContact CA-O 3.39Å; S576-N600 WeakPolarHBondContact CA-OD1 3.39Å; S576-N600 WeakPolarHBondContact CB-OD1 3.38Å; S576-N600 PolarHBondContact OG-OD1 3.22Å
577	H	94.8	Very high	83.2	Confident	1 Å²	1	41 Å²	41	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	127.5	-173.5	-177.5	63.7	0	0	0	110.9	I464 E465 T468 D553 S554 W575 R579 V598 C599	I464-H577 HydrophobicContact CG2-CB 3.53Å; E465-H577 IonicContact OE1-CE1 3.45Å; E465-H577 IonicContact OE1-NE2 2.85Å; E465-H577 PolarHBondContact OE1-NE2 2.67Å; E465-H577 IonicContact OE2-NE2 3.85Å; T468-H577 PolarHBondContact OG1-CD2 2.86Å; T468-H577 VanDerWaalsContact OG1-CD2 3.28Å; D553-H577 WeakPolarHBondContact O-CA 3.38Å; D553-H577 PolarHBondContact O-ND1 3.36Å; D553-H577 IonicContact OD1-CE1 3.64Å; S554-H577 PolarHBondContact OG-CE1 2.93Å; S554-H577 PolarHBondContact OG-ND1 2.89Å; W575-H577 HydrophobicContact CE3-CB 3.94Å; W575-H577 HydrophobicContact CZ3-CB 3.89Å; H577-R579 PolarHBondContact CE1-NH2 3.28Å; H577-R579 PolarHBondContact NE2-NE 3.22Å; H577-V598 CarbonylContact O-C 3.57Å; H577-V598 VanDerWaalsContact O-CA 3.27Å; H577-V598 WeakPolarHBondContact O-CA 3.22Å; H577-C599 PolarHBondContact N-O 3.45Å; H577-C599 PolarHBondContact O-N 3.36Å
578	I	94	Very high	83	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.015	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.7	174.9	-170.9	165.2	0	0	0	110.5	L430 V433 A525 F529 D553 I596 V597 V598	L430-I578 HydrophobicContact CD1-CD1 4.13Å; L430-I578 HydrophobicContact CD2-CD1 4.11Å; V433-I578 HydrophobicContact CG1-CG2 4.34Å; V433-I578 WeakPolarHBondContact CG1-O 3.44Å; V433-I578 HydrophobicContact CG2-CG2 4.3Å; A525-I578 HydrophobicContact CB-CD1 4.12Å; F529-I578 HydrophobicContact CB-CB 4.45Å; F529-I578 HydrophobicContact CB-CD1 4.05Å; F529-I578 HydrophobicContact CD1-CB 4.18Å; F529-I578 HydrophobicContact CD1-CD1 4.34Å; F529-I578 HydrophobicContact CD1-CG2 3.77Å; F529-I578 HydrophobicContact CD2-CB 3.8Å; F529-I578 HydrophobicContact CD2-CG2 4.04Å; F529-I578 HydrophobicContact CE1-CB 4.36Å; F529-I578 HydrophobicContact CE1-CG2 3.57Å; F529-I578 HydrophobicContact CE2-CB 4Å; F529-I578 HydrophobicContact CE2-CG2 3.85Å; F529-I578 HydrophobicContact CG-CB 3.89Å; F529-I578 HydrophobicContact CG-CD1 4.21Å; F529-I578 HydrophobicContact CG-CG2 4Å; F529-I578 HydrophobicContact CZ-CB 4.27Å; F529-I578 HydrophobicContact CZ-CG2 3.61Å; D553-I578 HydrophobicContact CB-CG2 3.91Å; D553-I578 PolarHBondContact O-N 3.16Å; I578-I596 HydrophobicContact CD1-CG2 4.11Å; I578-I596 HydrophobicContact CG1-CG2 3.92Å; I578-V597 CarbonylContact C-O 3.58Å; I578-V597 VanDerWaalsContact CA-O 3.3Å; I578-V597 WeakPolarHBondContact CA-O 3.45Å; I578-V598 HydrophobicContact CB-CG2 4.26Å; I578-V598 HydrophobicContact CD1-CG2 3.95Å; I578-V598 HydrophobicContact CG1-CG2 3.93Å
579	R	87.4	Confident	82.1	Confident	17 Å²	17	43 Å²	43	6%	0.064	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	135.5	-179.3	-167.7	58.6	71.2	-141.3	3.8	111.7	V433 E465 T468 D553 H577 M581 I596 V597	V433-R579 WeakPolarHBondContact O-CD 3.49Å; V433-R579 PolarHBondContact O-NH1 2.79Å; E465-R579 IonicContact OE1-CZ 3.38Å; E465-R579 IonicContact OE1-NE 2.61Å; E465-R579 PolarHBondContact OE1-NE 2.84Å; E465-R579 IonicContact OE1-NH2 2.68Å; E465-R579 PolarHBondContact OE1-NH2 3.45Å; E465-R579 IonicContact OE2-NE 3.65Å; E465-R579 PolarHBondContact OE2-NE 2.67Å; T468-R579 HydrophobicContact CG2-CB 4.47Å; D553-R579 IonicContact OD1-NH2 3.8Å; D553-R579 IonicContact OD2-CZ 3.21Å; D553-R579 IonicContact OD2-NH1 2.87Å; D553-R579 PolarHBondContact OD2-NH1 3.5Å; D553-R579 IonicContact OD2-NH2 3.73Å; D553-R579 PolarHBondContact OD2-NH2 3.27Å; H577-R579 PolarHBondContact CE1-NH2 3.28Å; H577-R579 PolarHBondContact NE2-NE 3.22Å; R579-M581 HydrophobicContact CG-SD 3.98Å; R579-I596 WeakPolarHBondContact O-CA 3.38Å; R579-V597 HydrophobicContact CB-CG1 4Å; R579-V597 PolarHBondContact N-O 3.32Å; R579-V597 WeakPolarHBondContact O-CG1 3.23Å; R579-V597 PolarHBondContact O-N 3.01Å
580	R	87.6	Confident	81.1	Confident	56 Å²	56	45.7 Å²	45.7	21%	0.211	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	125.7	171.3	-174.5	176.7	-176.8	165.2	-0.6	108.8	T434 Q582 D594 I596	T434-R580 HydrophobicContact CG2-CB 4.4Å; R580-Q582 HydrophobicContact CG-CG 4.32Å; R580-Q582 PolarHBondContact O-N 3.3Å; R580-D594 IonicContact CZ-OD1 3.88Å; R580-D594 IonicContact NE-OD1 2.84Å; R580-D594 IonicContact NH2-OD1 3.83Å; R580-D594 PolarHBondContact NH2-OD1 3Å; R580-D594 IonicContact NH2-OD2 3.21Å; R580-D594 PolarHBondContact NH2-OD2 3.46Å; R580-I596 HydrophobicContact CB-CG1 4.23Å; R580-I596 HydrophobicContact CG-CG1 4.08Å
581	M	82	Confident	80.1	Confident	10 Å²	10	46.7 Å²	46.7	5%	0.049	24%	0.241	C	C	.	.			trans	-105.6	65.4	-169.6	-63.2	-64.1	-72.4	0	0	111	F469 R579 H583 L584 D585 L595 V597	F469-M581 HydrophobicContact CD2-CE 3.53Å; F469-M581 HydrophobicContact CE2-CE 3.75Å; R579-M581 HydrophobicContact CG-SD 3.98Å; M581-H583 WeakPolarHBondContact CE-CE1 3.48Å; M581-H583 WeakPolarHBondContact CE-NE2 3.42Å; M581-H583 PolarHBondContact O-N 2.83Å; M581-L584 HydrophobicContact CB-CB 4.32Å; M581-L584 HydrophobicContact CB-CD1 4.21Å; M581-L584 HydrophobicContact CB-CG 4.44Å; M581-L584 HydrophobicContact CE-CD1 3.56Å; M581-L584 HydrophobicContact CE-CG 4.36Å; M581-L584 PolarHBondContact O-N 2.78Å; M581-D585 PolarHBondContact O-N 2.81Å; M581-L595 HydrophobicContact CB-CB 4.24Å; M581-L595 HydrophobicContact CB-CD2 3.54Å; M581-L595 HydrophobicContact CB-CG 4.4Å; M581-L595 HydrophobicContact CG-CD2 3.61Å; M581-L595 PolarHBondContact N-O 3.38Å; M581-V597 HydrophobicContact CG-CG1 4.19Å
582	Q	72.4	Confident	79.3	Confident	88 Å²	88	46.7 Å²	46.7	41%	0.411	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-52.5	-30.6	-174.1	-66.8	179.8	-34.9	0	0	114.5	T434 R580 L584 D585	T434-Q582 HydrophobicContact CG2-CG 4.21Å; T434-Q582 VanDerWaalsContact CG2-NE2 3.33Å; R580-Q582 HydrophobicContact CG-CG 4.32Å; R580-Q582 PolarHBondContact O-N 3.3Å; Q582-L584 VanDerWaalsContact C-N 3.28Å; Q582-L584 PolarHBondContact O-N 2.87Å; Q582-D585 WeakPolarHBondContact CA-OD2 3.43Å
583	H	66.7	Low	78.6	Confident	125 Å²	125	49.8 Å²	49.8	58%	0.579	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-77.2	-11.5	-179.8	60.4	-82.2	0	0	0	113.9	F469 M581	F469-H583 AromaticContact CE2-NE2 3.55Å; M581-H583 WeakPolarHBondContact CE-CE1 3.48Å; M581-H583 WeakPolarHBondContact CE-NE2 3.42Å; M581-H583 PolarHBondContact O-N 2.83Å
584	L	68.3	Low	77.9	Confident	26 Å²	26	50.5 Å²	50.5	14%	0.136	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-110.5	0.5	179.2	-56.9	176.4	0	0	0	112.9	V472 M581 Q582 R586 I587 L595	V472-L584 HydrophobicContact CG1-CD1 3.71Å; M581-L584 HydrophobicContact CB-CB 4.32Å; M581-L584 HydrophobicContact CB-CD1 4.21Å; M581-L584 HydrophobicContact CB-CG 4.44Å; M581-L584 HydrophobicContact CE-CD1 3.56Å; M581-L584 HydrophobicContact CE-CG 4.36Å; M581-L584 PolarHBondContact O-N 2.78Å; Q582-L584 VanDerWaalsContact C-N 3.28Å; Q582-L584 PolarHBondContact O-N 2.87Å; L584-R586 PolarHBondContact O-N 2.9Å; L584-I587 HydrophobicContact CB-CD1 4.42Å; L584-I587 HydrophobicContact CD2-CD1 3.5Å; L584-I587 VanDerWaalsContact CD2-CD1 3.5Å; L584-I587 PolarHBondContact O-N 3.38Å; L584-L595 HydrophobicContact CB-CD1 3.97Å
585	D	63	Low	77.6	Confident	28 Å²	28	50.3 Å²	50.3	15%	0.15	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-31.6	-175	-71	-17.5	0	0	0	112.8	M581 Q582 S592 D594 L595 Q626	M581-D585 PolarHBondContact O-N 2.81Å; Q582-D585 WeakPolarHBondContact CA-OD2 3.43Å; D585-S592 CarbonylContact O-C 3.52Å; D585-S592 VanDerWaalsContact O-O 3.08Å; D585-D594 WeakPolarHBondContact OD1-CA 3.41Å; D585-D594 PolarHBondContact OD1-N 3.26Å; D585-L595 PolarHBondContact OD1-N 2.92Å; D585-Q626 PolarHBondContact O-NE2 3.3Å
586	R	62	Low	77.4	Confident	242 Å²	242	50 Å²	50	91%	0.913	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	4.6	-177.7	-57.3	-175.1	-176.6	-165.2	-0.6	115	L584	L584-R586 PolarHBondContact O-N 2.9Å
587	I	62.7	Low	77.2	Confident	91 Å²	91	50 Å²	50	47%	0.467	26%	0.259	S	S	.	.	S	Bend	trans	-94.7	119.2	177.2	-56.6	-175.9	0	0	0	108.3	L584 Q626	L584-I587 HydrophobicContact CB-CD1 4.42Å; L584-I587 HydrophobicContact CD2-CD1 3.5Å; L584-I587 VanDerWaalsContact CD2-CD1 3.5Å; L584-I587 PolarHBondContact O-N 3.38Å; I587-Q626 PolarHBondContact O-NE2 3.2Å
588	G	64	Low	77.4	Confident	54 Å²	54	50 Å²	50	56%	0.557	26%	0.259	S	S	*	.	S	Bend	trans	131.2	-134.4	179.3	0	0	0	0	0	113.4
589	H	62.3	Low	77.5	Confident	78 Å²	78	49.9 Å²	49.9	36%	0.361	26%	0.258	S	S	.	.	S	Bend	trans	-71.1	151.2	-177.8	-70.8	-91.1	0	0	0	111.5	F515 G591 S592 K647	F515-H589 AromaticContact CZ-CD2 3.92Å; F515-H589 AromaticContact CZ-CE1 3.82Å; F515-H589 AromaticContact CZ-NE2 3.43Å; F515-H589 WeakPolarHBondContact CZ-NE2 3.36Å; H589-G591 PolarHBondContact O-N 2.83Å; H589-S592 PolarHBondContact N-OG 3.23Å; H589-S592 WeakPolarHBondContact O-CB 3.35Å; H589-S592 PolarHBondContact O-N 2.96Å; H589-S592 VanDerWaalsContact O-N 3.13Å; H589-S592 PolarHBondContact O-OG 3.02Å; H589-S592 VanDerWaalsContact O-OG 3.13Å; H589-K647 PolarHBondContact CD2-NZ 3Å; H589-K647 VanDerWaalsContact CD2-NZ 3.27Å; H589-K647 PolarHBondContact NE2-NZ 2.78Å
590	P	63.8	Low	78	Confident	101 Å²	101	49.3 Å²	49.3	66%	0.656	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	134.4	163.7	-18.8	30.8	0	0	0	109.6	S592	P590-S592 VanDerWaalsContact C-N 3.29Å; P590-S592 PolarHBondContact O-N 3.22Å
591	G	70.1	Confident	78.5	Confident	39 Å²	39	48.6 Å²	48.6	40%	0.402	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.5	-1.1	-178.5	0	0	0	0	0	115.5	H589 I629	H589-G591 PolarHBondContact O-N 2.83Å; G591-I629 PolarHBondContact O-N 3.27Å; G591-I629 VanDerWaalsContact O-N 3.14Å
592	S	78.1	Confident	79.2	Confident	10 Å²	10	51 Å²	51	7%	0.07	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	134	171.6	-78.5	0	0	0	0	112.3	D585 H589 P590 Q626 T627	D585-S592 CarbonylContact O-C 3.52Å; D585-S592 VanDerWaalsContact O-O 3.08Å; H589-S592 PolarHBondContact N-OG 3.23Å; H589-S592 WeakPolarHBondContact O-CB 3.35Å; H589-S592 PolarHBondContact O-N 2.96Å; H589-S592 VanDerWaalsContact O-N 3.13Å; H589-S592 PolarHBondContact O-OG 3.02Å; H589-S592 VanDerWaalsContact O-OG 3.13Å; P590-S592 VanDerWaalsContact C-N 3.29Å; P590-S592 PolarHBondContact O-N 3.22Å; S592-Q626 VanDerWaalsContact CB-NE2 3.28Å; S592-Q626 PolarHBondContact OG-OE1 3.19Å; S592-T627 CarbonylContact C-O 3.57Å; S592-T627 WeakPolarHBondContact CA-O 3.47Å
593	Q	81.3	Confident	80.3	Confident	67 Å²	67	48 Å²	48	31%	0.313	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	165.2	173.6	-59.3	-168.9	14.2	0	0	109.7	T627 I629	Q593-T627 PolarHBondContact N-O 3.24Å; Q593-T627 WeakPolarHBondContact O-CB 3.29Å; Q593-T627 PolarHBondContact O-N 2.72Å; Q593-I629 HydrophobicContact CG-CD1 4.31Å
594	D	83.2	Confident	81.5	Confident	15 Å²	15	48.2 Å²	48.2	8%	0.08	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	52.7	69.5	167.4	-59.6	-18.1	0	0	0	114.8	A521 R580 D585 I596	A521-D594 VanDerWaalsContact CB-O 3.27Å; A521-D594 WeakPolarHBondContact CB-O 3.36Å; R580-D594 IonicContact CZ-OD1 3.88Å; R580-D594 IonicContact NE-OD1 2.84Å; R580-D594 IonicContact NH2-OD1 3.83Å; R580-D594 PolarHBondContact NH2-OD1 3Å; R580-D594 IonicContact NH2-OD2 3.21Å; R580-D594 PolarHBondContact NH2-OD2 3.46Å; D585-D594 WeakPolarHBondContact OD1-CA 3.41Å; D585-D594 PolarHBondContact OD1-N 3.26Å; D594-I596 PolarHBondContact O-N 3.47Å
595	L	90.8	Very high	82.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	115.1	173.4	-167.1	155.7	0	0	0	109.7	V472 M476 M581 L584 D585 V624 C625	V472-L595 HydrophobicContact CG1-CD2 4.31Å; M476-L595 HydrophobicContact CE-CD1 3.52Å; M476-L595 HydrophobicContact CE-CG 4.38Å; M581-L595 HydrophobicContact CB-CB 4.24Å; M581-L595 HydrophobicContact CB-CD2 3.54Å; M581-L595 HydrophobicContact CB-CG 4.4Å; M581-L595 HydrophobicContact CG-CD2 3.61Å; M581-L595 PolarHBondContact N-O 3.38Å; L584-L595 HydrophobicContact CB-CD1 3.97Å; D585-L595 PolarHBondContact OD1-N 2.92Å; L595-V624 HydrophobicContact CD1-CG1 4.4Å; L595-V624 HydrophobicContact CD2-CG1 3.81Å; L595-V624 HydrophobicContact CG-CG1 4Å; L595-C625 WeakPolarHBondContact CA-O 3.29Å
596	I	93.2	Very high	83.9	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.8	177.9	-61.7	163.6	0	0	0	108.6	L430 A521 S522 A525 I578 R579 R580 D594 C625	L430-I596 HydrophobicContact CD2-CD1 3.62Å; L430-I596 HydrophobicContact CD2-CG1 4.12Å; L430-I596 HydrophobicContact CD2-CG2 3.94Å; A521-I596 HydrophobicContact CB-CD1 4.18Å; S522-I596 VanDerWaalsContact CA-CD1 3.49Å; A525-I596 HydrophobicContact CB-CB 4.24Å; A525-I596 HydrophobicContact CB-CG2 3.51Å; I578-I596 HydrophobicContact CD1-CG2 4.11Å; I578-I596 HydrophobicContact CG1-CG2 3.92Å; R579-I596 WeakPolarHBondContact O-CA 3.38Å; R580-I596 HydrophobicContact CB-CG1 4.23Å; R580-I596 HydrophobicContact CG-CG1 4.08Å; D594-I596 PolarHBondContact O-N 3.47Å; I596-C625 PolarHBondContact N-O 3.46Å; I596-C625 PolarHBondContact O-N 2.92Å
597	V	94.5	Very high	85.3	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	138.9	176.6	58.2	0	0	0	0	110.3	T468 V472 I578 R579 M581 C599 A622 M623 V624	T468-V597 HydrophobicContact CG2-CG1 3.57Å; T468-V597 HydrophobicContact CG2-CG2 4.29Å; V472-V597 HydrophobicContact CG2-CB 3.75Å; V472-V597 HydrophobicContact CG2-CG1 3.68Å; V472-V597 HydrophobicContact CG2-CG2 3.77Å; I578-V597 CarbonylContact C-O 3.58Å; I578-V597 VanDerWaalsContact CA-O 3.3Å; I578-V597 WeakPolarHBondContact CA-O 3.45Å; R579-V597 HydrophobicContact CB-CG1 4Å; R579-V597 PolarHBondContact N-O 3.32Å; R579-V597 WeakPolarHBondContact O-CG1 3.23Å; R579-V597 PolarHBondContact O-N 3.01Å; M581-V597 HydrophobicContact CG-CG1 4.19Å; V597-C599 HydrophobicContact CG2-CB 4.46Å; V597-A622 HydrophobicContact CG2-CB 4.2Å; V597-M623 CarbonylContact C-O 3.49Å; V597-M623 WeakPolarHBondContact CA-O 3.41Å; V597-V624 HydrophobicContact CB-CG2 4.28Å; V597-V624 HydrophobicContact CG2-CG2 3.91Å
598	V	97.4	Very high	86.8	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	112.4	162.2	-178.4	0	0	0	0	108	A525 F528 F529 H577 I578 A622 M623	A525-V598 HydrophobicContact CB-CG2 3.96Å; F528-V598 HydrophobicContact CD1-CB 3.67Å; F528-V598 HydrophobicContact CD1-CG1 3.62Å; F528-V598 HydrophobicContact CD1-CG2 4.15Å; F528-V598 HydrophobicContact CE1-CB 4.12Å; F528-V598 HydrophobicContact CE1-CG1 3.91Å; F529-V598 HydrophobicContact CB-CG1 4.11Å; F529-V598 HydrophobicContact CB-CG2 3.94Å; F529-V598 HydrophobicContact CD2-CG1 4.03Å; H577-V598 CarbonylContact O-C 3.57Å; H577-V598 VanDerWaalsContact O-CA 3.27Å; H577-V598 WeakPolarHBondContact O-CA 3.22Å; I578-V598 HydrophobicContact CB-CG2 4.26Å; I578-V598 HydrophobicContact CD1-CG2 3.95Å; I578-V598 HydrophobicContact CG1-CG2 3.93Å; V598-A622 WeakPolarHBondContact O-CA 3.15Å; V598-M623 HydrophobicContact CB-CB 4.42Å; V598-M623 PolarHBondContact N-O 2.98Å; V598-M623 PolarHBondContact O-N 2.91Å
599	C	97.4	Very high	88.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	128.6	179.8	-174.6	0	0	0	0	110.2	T468 W575 S576 H577 V597 I621	T468-C599 HydrophobicContact CG2-CB 3.93Å; W575-C599 HydrophobicContact CZ3-CB 4.07Å; S576-C599 CarbonylContact C-O 3.57Å; S576-C599 WeakPolarHBondContact CA-O 3.39Å; H577-C599 PolarHBondContact N-O 3.45Å; H577-C599 PolarHBondContact O-N 3.36Å; V597-C599 HydrophobicContact CG2-CB 4.46Å; C599-I621 CarbonylContact C-O 3.55Å; C599-I621 WeakPolarHBondContact CA-O 3.4Å
600	N	98.2	Very high	89.4	Confident	6 Å²	6	44.3 Å²	44.3	3%	0.032	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	127.5	175.5	-59.7	-24.6	0	0	0	108.7	F574 W575 S576 L619 T620 I621	F574-N600 HydrophobicContact CD2-CB 3.61Å; F574-N600 HydrophobicContact CE2-CB 3.87Å; F574-N600 HydrophobicContact CG-CB 4.46Å; W575-N600 CarbonylContact O-C 3.59Å; W575-N600 VanDerWaalsContact O-CA 3.25Å; W575-N600 WeakPolarHBondContact O-CA 3.38Å; S576-N600 WeakPolarHBondContact CA-OD1 3.39Å; S576-N600 WeakPolarHBondContact CB-OD1 3.38Å; S576-N600 PolarHBondContact OG-OD1 3.22Å; N600-L619 HydrophobicContact CB-CD1 4.01Å; N600-T620 WeakPolarHBondContact O-CA 3.36Å; N600-I621 HydrophobicContact CB-CB 4.26Å; N600-I621 PolarHBondContact N-O 3.43Å; N600-I621 PolarHBondContact O-N 3.2Å
601	H	97.7	Very high	90.4	Very high	40 Å²	40	42 Å²	42	19%	0.185	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	136.3	179.3	-179.3	89	0	0	0	111	F574 W575 L619 T620	F574-H601 CarbonylContact C-O 3.58Å; F574-H601 WeakPolarHBondContact CA-O 3.37Å; F574-H601 VanDerWaalsContact CB-C 3.47Å; F574-H601 WeakPolarHBondContact CB-O 3.48Å; W575-H601 HydrophobicContact CD2-CB 4.13Å; W575-H601 AromaticContact CE2-CD2 3.98Å; W575-H601 HydrophobicContact CE3-CB 4.42Å; W575-H601 HydrophobicContact CH2-CB 3.63Å; W575-H601 HydrophobicContact CZ2-CB 3.28Å; W575-H601 AromaticContact CZ2-CD2 3.84Å; W575-H601 AromaticContact CZ2-CG 3.77Å; W575-H601 HydrophobicContact CZ3-CB 4.18Å; W575-H601 PolarHBondContact N-O 3.03Å; W575-H601 AromaticContact NE1-CD2 3.71Å; W575-H601 PolarHBondContact O-N 3.22Å; H601-L619 CarbonylContact C-O 3.51Å; H601-L619 VanDerWaalsContact CA-O 3.3Å; H601-L619 WeakPolarHBondContact CA-O 3.3Å; H601-T620 PolarHBondContact CE1-OG1 3.14Å; H601-T620 VanDerWaalsContact CE1-OG1 3.31Å; H601-T620 PolarHBondContact ND1-OG1 2.88Å
602	D	96.7	Very high	90.9	Very high	62 Å²	62	46.3 Å²	46.3	33%	0.332	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	150.6	-175.3	66.4	-93.8	0	0	0	112.8	L573 L619	L573-D602 VanDerWaalsContact O-CA 3.31Å; L573-D602 WeakPolarHBondContact O-CA 3.32Å; D602-L619 PolarHBondContact N-O 2.87Å; D602-L619 PolarHBondContact OD1-N 2.78Å
603	T	94.5	Very high	91.3	Very high	24 Å²	24	55.9 Å²	55.9	15%	0.147	33%	0.333	C	S	.	.			trans	-152.5	171.4	-176.6	-158.2	0	0	0	0	111.4	I556 L573	I556-T603 HydrophobicContact CG2-CG2 4.2Å; L573-T603 WeakPolarHBondContact CD2-O 3.47Å; L573-T603 HydrophobicContact CG-CG2 4.27Å; L573-T603 PolarHBondContact O-N 3.43Å
604	T	92.7	Very high	91.6	Very high	130 Å²	130	54.5 Å²	54.5	80%	0.798	33%	0.327	S	S	*	.			trans	-112.4	140.8	173.8	59.2	0	0	0	0	109.4
605	H	91.1	Very high	92	Very high	48 Å²	48	55.4 Å²	55.4	22%	0.222	33%	0.333	C	S	.	.			trans	-144.7	135.7	-179.3	-168.4	-89.7	0	0	0	110.7	V547 E548 L573 A607 V608	V547-H605 WeakPolarHBondContact CG1-ND1 3.4Å; E548-H605 IonicContact OE2-CD2 2.82Å; E548-H605 IonicContact OE2-NE2 2.6Å; E548-H605 PolarHBondContact OE2-NE2 2.96Å; L573-H605 HydrophobicContact CD2-CB 3.77Å; H605-A607 VanDerWaalsContact ND1-CB 3.33Å; H605-A607 WeakPolarHBondContact ND1-CB 3.23Å; H605-A607 PolarHBondContact ND1-N 3.03Å; H605-A607 VanDerWaalsContact ND1-N 3.11Å; H605-A607 PolarHBondContact O-N 3.04Å; H605-V608 CarbonylContact O-C 3.6Å; H605-V608 PolarHBondContact O-N 3.48Å
606	A	90.6	Very high	92.1	Very high	100 Å²	100	58.4 Å²	58.4	83%	0.826	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-31.1	-174.8	0	0	0	0	0	113.4	V608	A606-V608 VanDerWaalsContact C-N 3.27Å; A606-V608 PolarHBondContact O-N 3.04Å
607	A	91.5	Very high	92	Very high	72 Å²	72	59.2 Å²	59.2	60%	0.595	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-12.9	177.6	0	0	0	0	0	114.3	V547 H605	V547-A607 HydrophobicContact CG1-CB 4.21Å; H605-A607 VanDerWaalsContact ND1-CB 3.33Å; H605-A607 WeakPolarHBondContact ND1-CB 3.23Å; H605-A607 PolarHBondContact ND1-N 3.03Å; H605-A607 VanDerWaalsContact ND1-N 3.11Å; H605-A607 PolarHBondContact O-N 3.04Å
608	V	93.3	Very high	91.9	Very high	17 Å²	17	60 Å²	60	10%	0.103	36%	0.358	C	S	.	.	S	Bend	trans	-135.1	68.7	-179.6	-167.8	0	0	0	0	109.2	V547 H558 L573 H605 A606 R616	V547-V608 HydrophobicContact CG1-CG2 4.11Å; V547-V608 HydrophobicContact CG2-CG2 3.77Å; H558-V608 HydrophobicContact CB-CG2 4.42Å; L573-V608 HydrophobicContact CD1-CB 4.21Å; L573-V608 HydrophobicContact CD1-CG2 4.22Å; L573-V608 HydrophobicContact CD2-CB 4.16Å; H605-V608 CarbonylContact O-C 3.6Å; H605-V608 PolarHBondContact O-N 3.48Å; A606-V608 VanDerWaalsContact C-N 3.27Å; A606-V608 PolarHBondContact O-N 3.04Å; V608-R616 PolarHBondContact O-NH2 2.82Å
609	P	92.3	Very high	91.8	Very high	84 Å²	84	60.7 Å²	60.7	55%	0.545	36%	0.362	S	S	.	.			trans	-65.1	158.3	-180	29.9	-35.6	0	0	0	111.3	S611	P609-S611 PolarHBondContact O-N 3.05Å
610	P	89.3	Confident	91.8	Very high	116 Å²	116	61.7 Å²	61.7	75%	0.753	37%	0.368	S	S	*	.			trans	-57.2	135.7	173.9	-22.9	33.6	0	0	0	111.8
611	S	84.3	Confident	91.7	Very high	52 Å²	52	62.3 Å²	62.3	36%	0.364	37%	0.371	S	S	.	.			trans	-104.2	146.5	176.5	-179.8	0	0	0	0	110.6	P609 R613 I614	P609-S611 PolarHBondContact O-N 3.05Å; S611-R613 VanDerWaalsContact C-N 3.3Å; S611-R613 PolarHBondContact OG-N 2.74Å; S611-I614 VanDerWaalsContact O-O 3.09Å
612	S	81.6	Confident	91.7	Very high	129 Å²	129	60.4 Å²	60.4	90%	0.902	36%	0.362	S	S	*	.	S	Bend	trans	-79.8	-12.9	171	57.3	0	0	0	0	113.3
613	R	85.6	Confident	91.8	Very high	211 Å²	211	57.4 Å²	57.4	80%	0.796	35%	0.346	S	S	*	.	S	Bend	trans	-91.9	-28.4	-176.4	-60.5	-176.2	-175.8	-177.4	0.5	113.5	S611	S611-R613 VanDerWaalsContact C-N 3.3Å; S611-R613 PolarHBondContact OG-N 2.74Å
614	I	88.4	Confident	91.9	Very high	38 Å²	38	56.3 Å²	56.3	20%	0.195	34%	0.34	C	S	.	.	S	Bend	trans	-127.4	134.1	-174.3	-54.3	-178.6	0	0	0	107.3	Q569 E571 S611	Q569-I614 HydrophobicContact CB-CG1 4.47Å; Q569-I614 HydrophobicContact CB-CG2 4.24Å; Q569-I614 HydrophobicContact CG-CG2 4.29Å; Q569-I614 WeakPolarHBondContact O-CA 3.2Å; Q569-I614 WeakPolarHBondContact O-CG2 3.46Å; E571-I614 HydrophobicContact CB-CG2 3.8Å; E571-I614 HydrophobicContact CG-CB 4.4Å; E571-I614 HydrophobicContact CG-CG2 3.65Å; S611-I614 VanDerWaalsContact O-O 3.09Å
615	V	90.5	Very high	92	Very high	34 Å²	34	50.1 Å²	50.1	21%	0.206	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	129	-177.1	177.3	0	0	0	0	109.8	Q569 R570 E571	Q569-V615 PolarHBondContact O-N 2.77Å; R570-V615 CarbonylContact C-O 3.34Å; R570-V615 VanDerWaalsContact CA-O 3.29Å; R570-V615 WeakPolarHBondContact CA-O 3.49Å; R570-V615 HydrophobicContact CG-CB 4.35Å; E571-V615 PolarHBondContact N-O 2.81Å
616	R	92.3	Very high	92.1	Very high	64 Å²	64	48 Å²	48	24%	0.242	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	124.2	176.5	-173.1	63.5	58.4	102.7	-2	110.7	E571 V608	E571-R616 CarbonylContact O-C 3.4Å; E571-R616 WeakPolarHBondContact O-CA 3.43Å; E571-R616 IonicContact OE1-CZ 2.78Å; E571-R616 IonicContact OE1-NE 3.28Å; E571-R616 PolarHBondContact OE1-NE 3.47Å; E571-R616 IonicContact OE1-NH2 2.92Å; E571-R616 PolarHBondContact OE1-NH2 3.41Å; E571-R616 IonicContact OE2-NH2 2.91Å; V608-R616 PolarHBondContact O-NH2 2.82Å
617	V	92.4	Very high	92.2	Very high	16 Å²	16	43.3 Å²	43.3	10%	0.097	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	131.7	173.3	179	0	0	0	0	109.2	R570 E571 V654 N655	R570-V617 HydrophobicContact CB-CG2 3.64Å; R570-V617 HydrophobicContact CG-CG2 3.49Å; R570-V617 VanDerWaalsContact CG-CG2 3.49Å; E571-V617 PolarHBondContact O-N 2.9Å; V617-V654 HydrophobicContact CG1-CG1 3.61Å; V617-N655 WeakPolarHBondContact CA-O 3.49Å; V617-N655 WeakPolarHBondContact CG1-O 3.37Å
618	G	92.9	Very high	92.2	Very high	18 Å²	18	40.7 Å²	40.7	19%	0.186	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	138.7	166.3	0	0	0	0	0	109.8	V654 N655	G618-V654 CarbonylContact O-C 3.55Å; G618-V654 WeakPolarHBondContact O-CA 3.49Å; G618-N655 PolarHBondContact N-O 3.32Å; G618-N655 PolarHBondContact O-N 2.91Å
619	L	94.8	Very high	92.1	Very high	13 Å²	13	40.4 Å²	40.4	7%	0.068	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	141.6	-177.6	64.3	86.9	0	0	0	111.8	F574 N600 H601 D602 I621 Q653 V654	F574-L619 HydrophobicContact CB-CD1 3.87Å; F574-L619 HydrophobicContact CB-CG 4.44Å; F574-L619 HydrophobicContact CD1-CD1 4.24Å; F574-L619 HydrophobicContact CD1-CD2 3.93Å; F574-L619 HydrophobicContact CD2-CD1 4.45Å; F574-L619 HydrophobicContact CE1-CD2 4.36Å; F574-L619 HydrophobicContact CG-CD1 3.96Å; F574-L619 HydrophobicContact CG-CD2 4.47Å; N600-L619 HydrophobicContact CB-CD1 4.01Å; H601-L619 CarbonylContact C-O 3.51Å; H601-L619 VanDerWaalsContact CA-O 3.3Å; H601-L619 WeakPolarHBondContact CA-O 3.3Å; D602-L619 PolarHBondContact N-O 2.87Å; D602-L619 PolarHBondContact OD1-N 2.78Å; L619-I621 HydrophobicContact CB-CD1 4.29Å; L619-I621 HydrophobicContact CB-CG1 4.43Å; L619-I621 HydrophobicContact CD1-CD1 4.12Å; L619-I621 HydrophobicContact CD1-CG1 4.3Å; L619-Q653 CarbonylContact C-O 3.59Å; L619-Q653 WeakPolarHBondContact CA-O 3.44Å; L619-V654 HydrophobicContact CB-CG2 4.34Å
620	T	96.8	Very high	91.8	Very high	21 Å²	21	38.6 Å²	38.6	13%	0.129	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	114.4	164.8	-59.2	0	0	0	0	107.4	Q471 N600 H601 A652 Q653	Q471-T620 HydrophobicContact CG-CG2 4.02Å; N600-T620 WeakPolarHBondContact O-CA 3.36Å; H601-T620 PolarHBondContact CE1-OG1 3.14Å; H601-T620 VanDerWaalsContact CE1-OG1 3.31Å; H601-T620 PolarHBondContact ND1-OG1 2.88Å; T620-A652 CarbonylContact O-C 3.55Å; T620-A652 WeakPolarHBondContact O-CA 3.11Å; T620-Q653 PolarHBondContact N-O 3.31Å; T620-Q653 PolarHBondContact O-N 2.64Å
621	I	97.5	Very high	91.4	Very high	19 Å²	19	41.7 Å²	41.7	10%	0.097	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.6	-172.7	-61.3	172.6	0	0	0	108.3	C599 N600 L619 Y650 V651 A652	C599-I621 CarbonylContact C-O 3.55Å; C599-I621 WeakPolarHBondContact CA-O 3.4Å; N600-I621 HydrophobicContact CB-CB 4.26Å; N600-I621 PolarHBondContact N-O 3.43Å; N600-I621 PolarHBondContact O-N 3.2Å; L619-I621 HydrophobicContact CB-CD1 4.29Å; L619-I621 HydrophobicContact CB-CG1 4.43Å; L619-I621 HydrophobicContact CD1-CD1 4.12Å; L619-I621 HydrophobicContact CD1-CG1 4.3Å; I621-Y650 HydrophobicContact CG2-CD2 4.18Å; I621-Y650 HydrophobicContact CG2-CE2 3.28Å; I621-Y650 WeakPolarHBondContact CG2-OH 3.3Å; I621-V651 CarbonylContact C-O 3.59Å; I621-V651 VanDerWaalsContact CA-O 3.27Å; I621-V651 WeakPolarHBondContact CA-O 3.4Å; I621-A652 HydrophobicContact CG1-CB 3.96Å
622	A	97.6	Very high	91.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.4	166.9	0	0	0	0	0	111.2	Q471 V597 V598 Y650 V651	Q471-A622 HydrophobicContact CB-CB 3.7Å; Q471-A622 HydrophobicContact CG-CB 4.41Å; V597-A622 HydrophobicContact CG2-CB 4.2Å; V598-A622 WeakPolarHBondContact O-CA 3.15Å; A622-Y650 WeakPolarHBondContact O-CA 3.41Å; A622-V651 HydrophobicContact CB-CG2 3.77Å; A622-V651 PolarHBondContact N-O 2.84Å; A622-V651 PolarHBondContact O-N 2.71Å
623	M	97.7	Very high	91	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	106.9	169	-174.5	71.9	77.8	0	0	107.7	Y524 F528 V597 V598 I648 Y650 L677	Y524-M623 HydrophobicContact CE1-CE 4.16Å; Y524-M623 HydrophobicContact CE1-CG 4.26Å; Y524-M623 HydrophobicContact CE1-SD 3.92Å; F528-M623 HydrophobicContact CD1-CB 3.59Å; F528-M623 HydrophobicContact CD1-CE 4.48Å; F528-M623 HydrophobicContact CD1-CG 4.05Å; F528-M623 HydrophobicContact CD2-CE 3.98Å; F528-M623 HydrophobicContact CE1-CB 3.51Å; F528-M623 HydrophobicContact CE1-CE 4.4Å; F528-M623 HydrophobicContact CE1-CG 4.33Å; F528-M623 HydrophobicContact CE2-CE 3.91Å; F528-M623 HydrophobicContact CG-CB 4.37Å; F528-M623 HydrophobicContact CG-CE 4.29Å; F528-M623 HydrophobicContact CG-CG 4.38Å; F528-M623 HydrophobicContact CZ-CB 4.26Å; F528-M623 HydrophobicContact CZ-CE 4.11Å; V597-M623 CarbonylContact C-O 3.49Å; V597-M623 WeakPolarHBondContact CA-O 3.41Å; V598-M623 HydrophobicContact CB-CB 4.42Å; V598-M623 PolarHBondContact N-O 2.98Å; V598-M623 PolarHBondContact O-N 2.91Å; M623-I648 HydrophobicContact SD-CG2 3.31Å; M623-I648 WeakPolarHBondContact SD-CG2 2.82Å; M623-Y650 HydrophobicContact CB-CD2 4.44Å; M623-Y650 HydrophobicContact CE-CD2 3.47Å; M623-Y650 VanDerWaalsContact CE-CD2 3.47Å; M623-Y650 HydrophobicContact CE-CE2 4.04Å; M623-Y650 HydrophobicContact CE-CG 4.28Å; M623-Y650 HydrophobicContact SD-CD2 3.81Å; M623-Y650 HydrophobicContact SD-CG 4.36Å; M623-L677 HydrophobicContact CE-CD2 3.87Å
624	V	95.7	Very high	90.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	116.1	177	-175	0	0	0	0	109.1	V472 A475 M476 L595 V597 I648 T649	V472-V624 HydrophobicContact CG2-CG2 4.41Å; A475-V624 HydrophobicContact CB-CB 4.45Å; A475-V624 HydrophobicContact CB-CG2 3.69Å; M476-V624 HydrophobicContact CE-CB 4.45Å; M476-V624 HydrophobicContact CE-CG1 3.45Å; M476-V624 VanDerWaalsContact CE-CG1 3.45Å; L595-V624 HydrophobicContact CD1-CG1 4.4Å; L595-V624 HydrophobicContact CD2-CG1 3.81Å; L595-V624 HydrophobicContact CG-CG1 4Å; V597-V624 HydrophobicContact CB-CG2 4.28Å; V597-V624 HydrophobicContact CG2-CG2 3.91Å; V624-I648 CarbonylContact O-C 3.58Å; V624-I648 WeakPolarHBondContact O-CA 3.21Å; V624-T649 PolarHBondContact N-O 2.72Å; V624-T649 PolarHBondContact O-N 3.26Å
625	C	95.8	Very high	89.4	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.9	-179.2	-58.9	0	0	0	0	109.3	A521 Y524 L595 I596 K647	A521-C625 HydrophobicContact CB-CB 3.63Å; Y524-C625 WeakPolarHBondContact CD1-SG 3.27Å; L595-C625 WeakPolarHBondContact CA-O 3.29Å; I596-C625 PolarHBondContact N-O 3.46Å; I596-C625 PolarHBondContact O-N 2.92Å; C625-K647 CarbonylContact C-O 3.59Å; C625-K647 WeakPolarHBondContact CA-O 3.14Å
626	Q	93.5	Very high	88.5	Confident	4 Å²	4	43 Å²	43	2%	0.019	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	125.4	176.2	-170.4	175	46.4	0	0	109	D585 I587 S592 C646 K647	D585-Q626 PolarHBondContact O-NE2 3.3Å; I587-Q626 PolarHBondContact O-NE2 3.2Å; S592-Q626 VanDerWaalsContact CB-NE2 3.28Å; S592-Q626 PolarHBondContact OG-OE1 3.19Å; Q626-C646 CarbonylContact O-C 3.54Å; Q626-C646 WeakPolarHBondContact O-CA 3.37Å; Q626-K647 HydrophobicContact CB-CB 4.44Å; Q626-K647 PolarHBondContact N-O 3.48Å; Q626-K647 PolarHBondContact O-N 3.49Å
627	T	93.1	Very high	87.6	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.006	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	131.7	174.2	-56.5	0	0	0	0	108.2	A521 S592 Q593 V644 S645 L695	A521-T627 WeakPolarHBondContact CB-OG1 3.08Å; A521-T627 PolarHBondContact N-OG1 3.49Å; S592-T627 CarbonylContact C-O 3.57Å; S592-T627 WeakPolarHBondContact CA-O 3.47Å; Q593-T627 PolarHBondContact N-O 3.24Å; Q593-T627 WeakPolarHBondContact O-CB 3.29Å; Q593-T627 PolarHBondContact O-N 2.72Å; T627-V644 HydrophobicContact CG2-CG1 3.47Å; T627-V644 VanDerWaalsContact CG2-CG1 3.47Å; T627-S645 CarbonylContact C-O 3.47Å; T627-L695 HydrophobicContact CG2-CD2 3.91Å
628	V	91.6	Very high	87	Confident	17 Å²	17	48.8 Å²	48.8	10%	0.103	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120.7	177	-177.1	0	0	0	0	107	S645 K647	V628-S645 PolarHBondContact N-O 3.38Å; V628-S645 PolarHBondContact O-N 2.85Å; V628-K647 HydrophobicContact CG2-CB 4.17Å
629	I	90.1	Very high	86.7	Confident	10 Å²	10	49.2 Å²	49.2	5%	0.051	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.3	176.3	-60.5	171.7	0	0	0	108.1	G591 Q593 K633 T635 L639	G591-I629 PolarHBondContact O-N 3.27Å; G591-I629 VanDerWaalsContact O-N 3.14Å; Q593-I629 HydrophobicContact CG-CD1 4.31Å; I629-K633 HydrophobicContact CG2-CB 3.76Å; I629-T635 HydrophobicContact CD1-CG2 3.61Å; I629-L639 HydrophobicContact CD1-CD1 3.83Å; I629-L639 HydrophobicContact CG1-CD1 4.14Å; I629-L639 HydrophobicContact CG2-CD1 4.41Å; I629-L639 HydrophobicContact CG2-CD2 4.16Å
630	D	87.2	Confident	86.4	Confident	47 Å²	47	51 Å²	51	25%	0.251	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-60.2	145.7	-179	-71.8	-1	0	0	0	111.4	R517 G632 K633 D643	R517-D630 IonicContact NH2-OD2 3.2Å; R517-D630 PolarHBondContact NH2-OD2 2.92Å; D630-G632 PolarHBondContact O-N 2.91Å; D630-K633 PolarHBondContact O-N 2.91Å; D630-D643 PolarHBondContact N-O 3.34Å
631	E	80.9	Confident	86.1	Confident	180 Å²	180	52.1 Å²	52.1	84%	0.841	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	132.8	-175	-64.7	-175.4	170.1	0	0	112.3
632	G	78.5	Confident	85.7	Confident	86 Å²	86	58.6 Å²	58.6	89%	0.887	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	-4.1	-178.8	0	0	0	0	0	115.1	D630	D630-G632 PolarHBondContact O-N 2.91Å
633	K	78.3	Confident	85.4	Confident	102 Å²	102	59.7 Å²	59.7	44%	0.443	34%	0.335	S	S	.	.			trans	-99.4	146	169.9	-61.2	-68	175.5	115	0	110.6	I629 D630 L639 D643	I629-K633 HydrophobicContact CG2-CB 3.76Å; D630-K633 PolarHBondContact O-N 2.91Å; K633-L639 HydrophobicContact CB-CD2 3.87Å; K633-D643 WeakPolarHBondContact CE-OD1 3.38Å; K633-D643 HydrophobicContact CG-CB 4.18Å; K633-D643 IonicContact NZ-OD1 2.71Å; K633-D643 PolarHBondContact NZ-OD1 2.92Å; K633-D643 IonicContact NZ-OD2 3.68Å
634	S	71.6	Confident	85.1	Confident	47 Å²	47	59.7 Å²	59.7	33%	0.329	34%	0.335	S	S	.	.			trans	-128.3	154.5	175.3	78.2	0	0	0	0	110.4	E636 T637	S634-E636 PolarHBondContact O-N 3.03Å; S634-E636 VanDerWaalsContact O-N 3.08Å; S634-E636 WeakPolarHBondContact OG-CB 3.4Å; S634-E636 PolarHBondContact OG-N 2.78Å; S634-T637 PolarHBondContact O-N 2.91Å; S634-T637 VanDerWaalsContact O-N 3.12Å; S634-T637 PolarHBondContact O-OG1 3.3Å
635	T	67.8	Low	85	Confident	78 Å²	78	60.2 Å²	60.2	48%	0.479	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-7.2	172.1	41.9	0	0	0	0	113.5	I629 T637 L639	I629-T635 HydrophobicContact CD1-CG2 3.61Å; T635-T637 VanDerWaalsContact C-N 3.28Å; T635-L639 HydrophobicContact CG2-CD1 4.27Å
636	E	71.5	Confident	84.9	Confident	180 Å²	180	60.2 Å²	60.2	84%	0.841	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-18.6	174.7	-53.3	-179.4	165.8	0	0	112	S634	S634-E636 PolarHBondContact O-N 3.03Å; S634-E636 VanDerWaalsContact O-N 3.08Å; S634-E636 WeakPolarHBondContact OG-CB 3.4Å; S634-E636 PolarHBondContact OG-N 2.78Å
637	T	75	Confident	85	Confident	68 Å²	68	61.9 Å²	61.9	42%	0.417	35%	0.346	S	S	.	.	S	Bend	trans	-106.5	148.5	174.9	58.5	0	0	0	0	111.1	S634 T635 L639	S634-T637 PolarHBondContact O-N 2.91Å; S634-T637 VanDerWaalsContact O-N 3.12Å; S634-T637 PolarHBondContact O-OG1 3.3Å; T635-T637 VanDerWaalsContact C-N 3.28Å; T637-L639 PolarHBondContact O-N 3.01Å
638	P	79.7	Confident	85.2	Confident	133 Å²	133	61.9 Å²	61.9	86%	0.864	35%	0.346	S	S	*	.			trans	-62	109.8	174.6	25	-32.4	0	0	0	109.8
639	L	85.2	Confident	85.4	Confident	27 Å²	27	61.5 Å²	61.5	14%	0.141	34%	0.344	C	S	.	.			trans	-75.5	136.1	179.6	-65.7	171.6	0	0	0	110.4	I629 K633 T635 T637 D643 V644 L693 L695	I629-L639 HydrophobicContact CD1-CD1 3.83Å; I629-L639 HydrophobicContact CG1-CD1 4.14Å; I629-L639 HydrophobicContact CG2-CD1 4.41Å; I629-L639 HydrophobicContact CG2-CD2 4.16Å; K633-L639 HydrophobicContact CB-CD2 3.87Å; T635-L639 HydrophobicContact CG2-CD1 4.27Å; T637-L639 PolarHBondContact O-N 3.01Å; L639-D643 HydrophobicContact CD2-CB 4.09Å; L639-V644 HydrophobicContact CB-CG2 4.32Å; L639-V644 HydrophobicContact CD1-CG2 4.27Å; L639-L693 HydrophobicContact CB-CD2 4.04Å; L639-L695 HydrophobicContact CD1-CD1 4.09Å
640	S	88.7	Confident	85.7	Confident	50 Å²	50	61.5 Å²	61.5	35%	0.35	34%	0.343	S	S	.	.			trans	-89.2	165.6	167.8	79.3	0	0	0	0	110.4	Q642 D643	S640-Q642 PolarHBondContact O-N 3.2Å; S640-Q642 PolarHBondContact OG-N 3.21Å; S640-D643 WeakPolarHBondContact CA-OD2 3.29Å; S640-D643 VanDerWaalsContact CB-OD2 3.29Å; S640-D643 WeakPolarHBondContact CB-OD2 3.22Å; S640-D643 PolarHBondContact N-OD2 2.73Å; S640-D643 PolarHBondContact O-N 2.78Å; S640-D643 VanDerWaalsContact O-N 3.11Å; S640-D643 VanDerWaalsContact OG-CG 3.3Å; S640-D643 PolarHBondContact OG-OD2 3.24Å
641	R	90.8	Very high	86.2	Confident	44 Å²	44	59.2 Å²	59.2	17%	0.166	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-59.3	-29.7	172.9	-70.7	-172.2	175.1	-73.6	-7.9	112.6	G518 E523 D643 V644 V688 R691 S692 L693	G518-R641 VanDerWaalsContact CA-O 3.25Å; G518-R641 WeakPolarHBondContact CA-O 3.45Å; G518-R641 PolarHBondContact O-NH1 2.78Å; E523-R641 IonicContact OE1-CZ 3.41Å; E523-R641 IonicContact OE1-NH1 3.44Å; E523-R641 PolarHBondContact OE1-NH1 3.23Å; E523-R641 IonicContact OE1-NH2 2.73Å; E523-R641 PolarHBondContact OE1-NH2 3.44Å; E523-R641 IonicContact OE2-CZ 3.78Å; E523-R641 IonicContact OE2-NH1 3.2Å; E523-R641 PolarHBondContact OE2-NH1 2.64Å; E523-R641 IonicContact OE2-NH2 3.83Å; R641-D643 PolarHBondContact O-N 3.47Å; R641-V644 PolarHBondContact O-N 3.04Å; R641-V688 PolarHBondContact NE-O 3.43Å; R641-V688 PolarHBondContact NH2-O 2.89Å; R641-R691 PolarHBondContact NE-O 3.13Å; R641-R691 PolarHBondContact NH2-O 2.91Å; R641-S692 PolarHBondContact NH2-O 2.73Å; R641-S692 VanDerWaalsContact NH2-O 3.1Å; R641-L693 HydrophobicContact CG-CB 4.2Å; R641-L693 HydrophobicContact CG-CD1 4.36Å
642	Q	89	Confident	86.9	Confident	156 Å²	156	50.8 Å²	50.8	73%	0.729	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-71.3	-20.1	179.8	-63.8	-178.7	2.1	0	0	112.8	R517 S640 V644	R517-Q642 PolarHBondContact NH2-O 2.8Å; S640-Q642 PolarHBondContact O-N 3.2Å; S640-Q642 PolarHBondContact OG-N 3.21Å; Q642-V644 VanDerWaalsContact C-N 3.32Å
643	D	90.6	Very high	87.7	Confident	22 Å²	22	50.5 Å²	50.5	12%	0.118	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-88.7	-1.3	-179.7	-54.7	-60.7	0	0	0	112.8	D630 K633 L639 S640 R641	D630-D643 PolarHBondContact N-O 3.34Å; K633-D643 WeakPolarHBondContact CE-OD1 3.38Å; K633-D643 HydrophobicContact CG-CB 4.18Å; K633-D643 IonicContact NZ-OD1 2.71Å; K633-D643 PolarHBondContact NZ-OD1 2.92Å; K633-D643 IonicContact NZ-OD2 3.68Å; L639-D643 HydrophobicContact CD2-CB 4.09Å; S640-D643 WeakPolarHBondContact CA-OD2 3.29Å; S640-D643 VanDerWaalsContact CB-OD2 3.29Å; S640-D643 WeakPolarHBondContact CB-OD2 3.22Å; S640-D643 PolarHBondContact N-OD2 2.73Å; S640-D643 PolarHBondContact O-N 2.78Å; S640-D643 VanDerWaalsContact O-N 3.11Å; S640-D643 VanDerWaalsContact OG-CG 3.3Å; S640-D643 PolarHBondContact OG-OD2 3.24Å; R641-D643 PolarHBondContact O-N 3.47Å
644	V	91.9	Very high	88.3	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	134.6	-171.8	178.4	0	0	0	0	111.1	G518 T627 L639 R641 Q642 L693	G518-V644 PolarHBondContact N-O 2.87Å; T627-V644 HydrophobicContact CG2-CG1 3.47Å; T627-V644 VanDerWaalsContact CG2-CG1 3.47Å; L639-V644 HydrophobicContact CB-CG2 4.32Å; L639-V644 HydrophobicContact CD1-CG2 4.27Å; R641-V644 PolarHBondContact O-N 3.04Å; Q642-V644 VanDerWaalsContact C-N 3.32Å; V644-L693 HydrophobicContact CB-CD2 4.37Å; V644-L693 HydrophobicContact CG2-CD2 3.72Å
645	S	93.5	Very high	89.2	Confident	12 Å²	12	47.3 Å²	47.3	8%	0.084	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	154	172.1	-56.3	0	0	0	0	110.1	V516 T627 V628	V516-S645 CarbonylContact O-C 3.56Å; V516-S645 WeakPolarHBondContact O-CA 3.36Å; T627-S645 CarbonylContact C-O 3.47Å; V628-S645 PolarHBondContact N-O 3.38Å; V628-S645 PolarHBondContact O-N 2.85Å
646	C	95.1	Very high	90.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	118.8	172.8	-177.6	0	0	0	0	109.1	V516 V519 Q626	V516-C646 PolarHBondContact N-O 2.96Å; V516-C646 PolarHBondContact O-N 3.03Å; V519-C646 VanDerWaalsContact O-CB 3.3Å; V519-C646 WeakPolarHBondContact O-CB 3.42Å; V519-C646 PolarHBondContact O-N 3.26Å; Q626-C646 CarbonylContact O-C 3.54Å; Q626-C646 WeakPolarHBondContact O-CA 3.37Å
647	K	95.1	Very high	90.7	Very high	40 Å²	40	35.9 Å²	35.9	17%	0.174	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.8	166.3	-179.1	179.3	-176.1	174.8	0	108.8	F515 H589 C625 Q626 V628	F515-K647 HydrophobicContact CD1-CB 4.09Å; F515-K647 HydrophobicContact CD1-CG 4.45Å; F515-K647 HydrophobicContact CE1-CB 3.65Å; F515-K647 HydrophobicContact CE1-CD 4.03Å; F515-K647 HydrophobicContact CE1-CG 3.83Å; F515-K647 HydrophobicContact CE2-CD 4.22Å; F515-K647 HydrophobicContact CE2-CG 3.99Å; F515-K647 HydrophobicContact CZ-CB 3.96Å; F515-K647 HydrophobicContact CZ-CD 3.54Å; F515-K647 HydrophobicContact CZ-CG 3.58Å; H589-K647 PolarHBondContact CD2-NZ 3Å; H589-K647 VanDerWaalsContact CD2-NZ 3.27Å; H589-K647 PolarHBondContact NE2-NZ 2.78Å; C625-K647 CarbonylContact C-O 3.59Å; C625-K647 WeakPolarHBondContact CA-O 3.14Å; Q626-K647 HydrophobicContact CB-CB 4.44Å; Q626-K647 PolarHBondContact N-O 3.48Å; Q626-K647 PolarHBondContact O-N 3.49Å; V628-K647 HydrophobicContact CG2-CB 4.17Å
648	I	96.3	Very high	91	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.1	178.9	-63.1	135.7	0	0	0	108.3	V513 H514 V516 Y524 M623 V624	V513-I648 CarbonylContact C-O 3.59Å; V513-I648 WeakPolarHBondContact CA-O 3.42Å; H514-I648 HydrophobicContact CB-CB 4.3Å; H514-I648 PolarHBondContact N-O 3.41Å; H514-I648 PolarHBondContact O-N 3.29Å; V516-I648 HydrophobicContact CB-CD1 4.06Å; V516-I648 HydrophobicContact CG2-CD1 3.43Å; V516-I648 VanDerWaalsContact CG2-CD1 3.43Å; Y524-I648 HydrophobicContact CD1-CD1 4.33Å; Y524-I648 HydrophobicContact CD1-CG1 4.04Å; Y524-I648 HydrophobicContact CD2-CD1 3.92Å; Y524-I648 HydrophobicContact CD2-CG1 4.44Å; Y524-I648 HydrophobicContact CE1-CD1 3.88Å; Y524-I648 HydrophobicContact CE1-CG1 3.73Å; Y524-I648 HydrophobicContact CE1-CG2 4.06Å; Y524-I648 HydrophobicContact CE2-CD1 3.45Å; Y524-I648 VanDerWaalsContact CE2-CD1 3.45Å; Y524-I648 HydrophobicContact CE2-CG1 4.21Å; Y524-I648 HydrophobicContact CG-CD1 4.33Å; Y524-I648 HydrophobicContact CG-CG1 4.36Å; Y524-I648 VanDerWaalsContact CZ-CD1 3.42Å; M623-I648 HydrophobicContact SD-CG2 3.31Å; M623-I648 WeakPolarHBondContact SD-CG2 2.82Å; V624-I648 CarbonylContact O-C 3.58Å; V624-I648 WeakPolarHBondContact O-CA 3.21Å
649	T	96.3	Very high	90.9	Very high	8 Å²	8	37.8 Å²	37.8	5%	0.049	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	107.5	168.2	-53.3	0	0	0	0	108.4	A475 A512 V513 V624	A475-T649 HydrophobicContact CB-CG2 4Å; A475-T649 WeakPolarHBondContact O-CG2 3.22Å; A512-T649 CarbonylContact O-C 3.57Å; A512-T649 WeakPolarHBondContact O-CA 3.34Å; V513-T649 HydrophobicContact CG2-CG2 4.48Å; V624-T649 PolarHBondContact N-O 2.72Å; V624-T649 PolarHBondContact O-N 3.26Å
650	Y	97.6	Very high	90.4	Very high	10 Å²	10	37 Å²	37	4%	0.039	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.7	179	178.1	-102.2	0	0	0	109.2	L510 K511 A512 F528 I621 A622 M623 A652 Y673 F676 L677	L510-Y650 HydrophobicContact CD2-CD1 3.82Å; L510-Y650 HydrophobicContact CD2-CE1 4.03Å; K511-Y650 CarbonylContact C-O 3.58Å; K511-Y650 WeakPolarHBondContact CA-O 3.2Å; A512-Y650 PolarHBondContact N-O 3.49Å; A512-Y650 PolarHBondContact O-N 3.04Å; F528-Y650 HydrophobicContact CZ-CE2 4.35Å; I621-Y650 HydrophobicContact CG2-CD2 4.18Å; I621-Y650 HydrophobicContact CG2-CE2 3.28Å; I621-Y650 WeakPolarHBondContact CG2-OH 3.3Å; A622-Y650 WeakPolarHBondContact O-CA 3.41Å; M623-Y650 HydrophobicContact CB-CD2 4.44Å; M623-Y650 HydrophobicContact CE-CD2 3.47Å; M623-Y650 VanDerWaalsContact CE-CD2 3.47Å; M623-Y650 HydrophobicContact CE-CE2 4.04Å; M623-Y650 HydrophobicContact CE-CG 4.28Å; M623-Y650 HydrophobicContact SD-CD2 3.81Å; M623-Y650 HydrophobicContact SD-CG 4.36Å; Y650-A652 HydrophobicContact CD1-CB 4.49Å; Y650-A652 HydrophobicContact CE1-CB 3.66Å; Y650-Y673 HydrophobicContact CE1-CD1 4.15Å; Y650-Y673 HydrophobicContact CE1-CE1 4.11Å; Y650-F676 HydrophobicContact CE1-CE1 4.27Å; Y650-F676 AromaticContact CE2-CE1 3.98Å; Y650-F676 HydrophobicContact CE2-CE1 3.98Å; Y650-F676 HydrophobicContact CE2-CZ 4.24Å; Y650-F676 AromaticContact CZ-CE1 3.84Å; Y650-L677 HydrophobicContact CD1-CD1 4.28Å; Y650-L677 HydrophobicContact CG-CD1 4.41Å; Y650-L677 HydrophobicContact CG-CD2 4.44Å
651	V	96.9	Very high	90	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	138.1	172.6	-67.2	0	0	0	0	109.6	Y474 A475 L510 K511 I621 A622	Y474-V651 HydrophobicContact CD1-CB 4.08Å; Y474-V651 HydrophobicContact CD1-CG1 4.05Å; Y474-V651 HydrophobicContact CD1-CG2 4.2Å; Y474-V651 HydrophobicContact CE1-CB 4.17Å; Y474-V651 HydrophobicContact CE1-CG1 4.16Å; A475-V651 HydrophobicContact CB-CG1 4.02Å; A475-V651 HydrophobicContact CB-CG2 4.11Å; L510-V651 CarbonylContact O-C 3.6Å; L510-V651 VanDerWaalsContact O-CA 3.3Å; L510-V651 WeakPolarHBondContact O-CA 3.28Å; K511-V651 HydrophobicContact CB-CG1 4.15Å; K511-V651 HydrophobicContact CD-CG1 4.26Å; K511-V651 HydrophobicContact CG-CG1 4.03Å; I621-V651 CarbonylContact C-O 3.59Å; I621-V651 VanDerWaalsContact CA-O 3.27Å; I621-V651 WeakPolarHBondContact CA-O 3.4Å; A622-V651 HydrophobicContact CB-CG2 3.77Å; A622-V651 PolarHBondContact N-O 2.84Å; A622-V651 PolarHBondContact O-N 2.71Å
652	A	95.9	Very high	89.5	Confident	3 Å²	3	35.6 Å²	35.6	3%	0.025	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	137	-179.5	0	0	0	0	0	110.9	L510 T620 I621 Y650 Y673	L510-A652 PolarHBondContact N-O 3.36Å; L510-A652 PolarHBondContact O-N 3.27Å; T620-A652 CarbonylContact O-C 3.55Å; T620-A652 WeakPolarHBondContact O-CA 3.11Å; I621-A652 HydrophobicContact CG1-CB 3.96Å; Y650-A652 HydrophobicContact CD1-CB 4.49Å; Y650-A652 HydrophobicContact CE1-CB 3.66Å; A652-Y673 HydrophobicContact CB-CE1 4.21Å
653	Q	94.1	Very high	89.2	Confident	79 Å²	79	31 Å²	31	37%	0.369	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	115.3	166.8	-173.4	176.6	1.8	0	0	107.1	P509 L619 T620	P509-Q653 HydrophobicContact CG-CG 4.48Å; L619-Q653 CarbonylContact C-O 3.59Å; L619-Q653 WeakPolarHBondContact CA-O 3.44Å; T620-Q653 PolarHBondContact N-O 3.31Å; T620-Q653 PolarHBondContact O-N 2.64Å
654	V	92.4	Very high	88.6	Confident	23 Å²	23	30.2 Å²	30.2	14%	0.139	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	125.5	-173	-179.1	0	0	0	0	108.9	V617 G618 L619	V617-V654 HydrophobicContact CG1-CG1 3.61Å; G618-V654 CarbonylContact O-C 3.55Å; G618-V654 WeakPolarHBondContact O-CA 3.49Å; L619-V654 HydrophobicContact CB-CG2 4.34Å
655	N	90.8	Very high	88.1	Confident	60 Å²	60	30.5 Å²	30.5	32%	0.321	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	108.7	164.5	-177.6	-19.5	0	0	0	107.7	V617 G618 G657	V617-N655 WeakPolarHBondContact CA-O 3.49Å; V617-N655 WeakPolarHBondContact CG1-O 3.37Å; G618-N655 PolarHBondContact N-O 3.32Å; G618-N655 PolarHBondContact O-N 2.91Å; N655-G657 PolarHBondContact O-N 2.77Å; N655-G657 VanDerWaalsContact O-N 3.12Å; N655-G657 PolarHBondContact OD1-N 3.42Å
656	P	86.5	Confident	87.8	Confident	7 Å²	7	32.6 Å²	32.6	5%	0.045	18%	0.175	C	C	.	.			trans	-64.9	-18.1	-175.2	27.2	-35.1	0	0	0	113.4	L665	P656-L665 HydrophobicContact CB-CD2 4.12Å; P656-L665 HydrophobicContact CG-CD1 3.88Å; P656-L665 HydrophobicContact CG-CD2 4.02Å
657	G	83.9	Confident	87.2	Confident	10 Å²	10	35.4 Å²	35.4	10%	0.103	20%	0.197	C	C	.	.			trans	66.1	152	-174.3	0	0	0	0	0	113.1	R570 N655	R570-G657 PolarHBondContact NH2-O 2.73Å; N655-G657 PolarHBondContact O-N 2.77Å; N655-G657 VanDerWaalsContact O-N 3.12Å; N655-G657 PolarHBondContact OD1-N 3.42Å
658	G	80.8	Confident	86.6	Confident	40 Å²	40	34 Å²	34	41%	0.412	19%	0.192	S	C	.	.	S	Bend	trans	63.6	-176.1	-176.1	0	0	0	0	0	112.4	L505	L505-G658 VanDerWaalsContact CD2-O 3.26Å; L505-G658 WeakPolarHBondContact CD2-O 3.01Å
659	W	78.6	Confident	86	Confident	201 Å²	201	35.6 Å²	35.6	76%	0.761	20%	0.199	S	C	*	.			trans	-91.3	134.7	-177.3	-172.8	88.1	0	0	0	111.6	P661	W659-P661 HydrophobicContact CH2-CG 3.78Å; W659-P661 HydrophobicContact CZ2-CG 4.4Å; W659-P661 HydrophobicContact CZ3-CG 4.1Å
660	A	73.9	Confident	85.6	Confident	12 Å²	12	41.6 Å²	41.6	10%	0.099	22%	0.224	C	C	.	.			trans	-154.3	144.9	166.7	0	0	0	0	0	109.2	L665	A660-L665 HydrophobicContact CB-CD1 4.06Å; A660-L665 HydrophobicContact CB-CD2 3.94Å; A660-L665 HydrophobicContact CB-CG 3.89Å
661	P	79.1	Confident	85	Confident	28 Å²	28	44.9 Å²	44.9	18%	0.182	24%	0.236	C	C	.	.			trans	-60.4	138.4	177.7	-22.6	32.7	0	0	0	112.8	W659 S663 V664 L665	W659-P661 HydrophobicContact CH2-CG 3.78Å; W659-P661 HydrophobicContact CZ2-CG 4.4Å; W659-P661 HydrophobicContact CZ3-CG 4.1Å; P661-S663 VanDerWaalsContact C-N 3.32Å; P661-S663 PolarHBondContact O-N 2.87Å; P661-V664 HydrophobicContact CB-CG2 3.95Å; P661-V664 HydrophobicContact CG-CG2 4.25Å; P661-V664 PolarHBondContact O-N 2.89Å; P661-V664 VanDerWaalsContact O-N 3.13Å; P661-L665 PolarHBondContact O-N 3.23Å; P661-L665 VanDerWaalsContact O-N 3.13Å
662	S	81.7	Confident	84.4	Confident	35 Å²	35	46.1 Å²	46.1	25%	0.245	24%	0.242	C	C	.	.	H	α-helix	trans	-58.8	-40.6	-178.4	-59.9	0	0	0	0	113	E501 V506 V664 L665 R666	E501-S662 PolarHBondContact OE1-OG 3.11Å; V506-S662 WeakPolarHBondContact CG2-OG 3.29Å; S662-V664 PolarHBondContact O-N 2.85Å; S662-L665 PolarHBondContact O-N 3.3Å; S662-R666 WeakPolarHBondContact O-CB 3.41Å; S662-R666 VanDerWaalsContact O-CG 3.28Å; S662-R666 WeakPolarHBondContact O-CG 3.23Å; S662-R666 PolarHBondContact O-N 2.84Å; S662-R666 VanDerWaalsContact O-N 3.08Å
663	S	81.6	Confident	84.2	Confident	61 Å²	61	47.3 Å²	47.3	43%	0.427	25%	0.246	S	C	.	.	H	α-helix	trans	-55.9	-41.1	177.5	51.8	0	0	0	0	111.5	Y397 P661 A667	Y397-S663 PolarHBondContact OH-OG 2.8Å; P661-S663 VanDerWaalsContact C-N 3.32Å; P661-S663 PolarHBondContact O-N 2.87Å; S663-A667 WeakPolarHBondContact O-CB 3.4Å; S663-A667 PolarHBondContact O-N 3.27Å
664	V	78.2	Confident	84	Confident	5 Å²	5	44.2 Å²	44.2	3%	0.03	23%	0.233	C	C	.	.	H	α-helix	trans	-77.2	-47.2	-175.4	-176.2	0	0	0	0	110.8	W396 Y397 V400 P661 S662 R666 A667 V668	W396-V664 HydrophobicContact CE3-CG2 3.78Å; W396-V664 HydrophobicContact CH2-CB 3.56Å; W396-V664 HydrophobicContact CH2-CG1 3.37Å; W396-V664 HydrophobicContact CH2-CG2 3.43Å; W396-V664 VanDerWaalsContact CH2-CG2 3.43Å; W396-V664 HydrophobicContact CZ3-CB 3.52Å; W396-V664 HydrophobicContact CZ3-CG1 3.33Å; W396-V664 HydrophobicContact CZ3-CG2 2.96Å; Y397-V664 HydrophobicContact CD1-CG2 3.98Å; Y397-V664 HydrophobicContact CE1-CG2 3.44Å; Y397-V664 VanDerWaalsContact CE1-CG2 3.44Å; V400-V664 HydrophobicContact CG1-CG1 4.11Å; V400-V664 HydrophobicContact CG2-CG1 4.37Å; P661-V664 HydrophobicContact CB-CG2 3.95Å; P661-V664 HydrophobicContact CG-CG2 4.25Å; P661-V664 PolarHBondContact O-N 2.89Å; P661-V664 VanDerWaalsContact O-N 3.13Å; S662-V664 PolarHBondContact O-N 2.85Å; V664-R666 PolarHBondContact O-N 3.44Å; V664-A667 WeakPolarHBondContact O-CB 3.38Å; V664-A667 PolarHBondContact O-N 2.92Å; V664-V668 HydrophobicContact CG1-CG2 3.97Å; V664-V668 WeakPolarHBondContact O-CG2 3.5Å; V664-V668 PolarHBondContact O-N 3.47Å
665	L	82.1	Confident	83.9	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-52.8	-44	176.7	-72.7	174.3	0	0	0	109.7	V506 P656 A660 P661 S662 V668 Y669	V506-L665 HydrophobicContact CB-CB 4.4Å; V506-L665 HydrophobicContact CB-CD1 3.96Å; V506-L665 HydrophobicContact CG2-CD1 4.3Å; P656-L665 HydrophobicContact CB-CD2 4.12Å; P656-L665 HydrophobicContact CG-CD1 3.88Å; P656-L665 HydrophobicContact CG-CD2 4.02Å; A660-L665 HydrophobicContact CB-CD1 4.06Å; A660-L665 HydrophobicContact CB-CD2 3.94Å; A660-L665 HydrophobicContact CB-CG 3.89Å; P661-L665 PolarHBondContact O-N 3.23Å; P661-L665 VanDerWaalsContact O-N 3.13Å; S662-L665 PolarHBondContact O-N 3.3Å; L665-V668 PolarHBondContact O-N 2.92Å; L665-Y669 HydrophobicContact CB-CE2 4.1Å; L665-Y669 WeakPolarHBondContact O-CB 3.42Å; L665-Y669 WeakPolarHBondContact O-CD1 3.33Å; L665-Y669 VanDerWaalsContact O-CD2 3.23Å; L665-Y669 WeakPolarHBondContact O-CD2 3.24Å; L665-Y669 PolarHBondContact O-N 2.87Å
666	R	86.4	Confident	83.9	Confident	57 Å²	57	44.8 Å²	44.8	22%	0.215	23%	0.23	C	C	.	.	H	α-helix	trans	-65.9	-38.7	176.3	-70.2	174.8	175.6	177.8	6.2	113.4	E499 V506 D508 S662 V664 K670	E499-R666 IonicContact OE1-CZ 3.15Å; E499-R666 IonicContact OE1-NE 2.69Å; E499-R666 IonicContact OE1-NH1 2.73Å; E499-R666 PolarHBondContact OE1-NH1 3.07Å; E499-R666 VanDerWaalsContact OE1-NH1 3.08Å; E499-R666 IonicContact OE1-NH2 2.81Å; E499-R666 IonicContact OE2-CZ 3.96Å; E499-R666 VanDerWaalsContact OE2-CZ 3.29Å; E499-R666 IonicContact OE2-NH1 3.69Å; E499-R666 PolarHBondContact OE2-NH1 2.88Å; E499-R666 IonicContact OE2-NH2 3.93Å; E499-R666 PolarHBondContact OE2-NH2 3.47Å; V506-R666 HydrophobicContact CG1-CG 4.18Å; D508-R666 IonicContact OD1-NH2 2.77Å; D508-R666 IonicContact OD2-CZ 3.96Å; D508-R666 IonicContact OD2-NE 2.74Å; D508-R666 PolarHBondContact OD2-NE 3.25Å; S662-R666 WeakPolarHBondContact O-CB 3.41Å; S662-R666 VanDerWaalsContact O-CG 3.28Å; S662-R666 WeakPolarHBondContact O-CG 3.23Å; S662-R666 PolarHBondContact O-N 2.84Å; S662-R666 VanDerWaalsContact O-N 3.08Å; V664-R666 PolarHBondContact O-N 3.44Å; R666-K670 VanDerWaalsContact O-CB 3.26Å; R666-K670 WeakPolarHBondContact O-CB 3.23Å; R666-K670 PolarHBondContact O-N 3.26Å
667	A	83.6	Confident	84.2	Confident	58 Å²	58	44.5 Å²	44.5	48%	0.479	23%	0.229	S	C	.	.	H	α-helix	trans	-64.9	-45.6	175.3	0	0	0	0	0	112	S663 V664 K670 R671	S663-A667 WeakPolarHBondContact O-CB 3.4Å; S663-A667 PolarHBondContact O-N 3.27Å; V664-A667 WeakPolarHBondContact O-CB 3.38Å; V664-A667 PolarHBondContact O-N 2.92Å; A667-K670 PolarHBondContact O-N 2.88Å; A667-R671 PolarHBondContact O-N 3.23Å
668	V	82.6	Confident	84.6	Confident	10 Å²	10	47.7 Å²	47.7	6%	0.061	24%	0.24	C	C	.	.	H	α-helix	trans	-61.8	-47.1	175.8	175.6	0	0	0	0	110.2	V400 L404 W565 V664 L665 K670 R671 E672	V400-V668 HydrophobicContact CG1-CG2 4.34Å; L404-V668 HydrophobicContact CD1-CG2 4.31Å; W565-V668 HydrophobicContact CZ3-CG1 4.41Å; V664-V668 HydrophobicContact CG1-CG2 3.97Å; V664-V668 WeakPolarHBondContact O-CG2 3.5Å; V664-V668 PolarHBondContact O-N 3.47Å; L665-V668 PolarHBondContact O-N 2.92Å; V668-K670 PolarHBondContact O-N 3.39Å; V668-R671 PolarHBondContact O-N 2.96Å; V668-E672 HydrophobicContact CG1-CG 3.88Å; V668-E672 WeakPolarHBondContact O-CB 3.24Å; V668-E672 WeakPolarHBondContact O-CG 3.47Å; V668-E672 PolarHBondContact O-N 3.38Å
669	Y	84.2	Confident	85.1	Confident	36 Å²	36	47.3 Å²	47.3	14%	0.141	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-47.3	177.6	-64.7	-15.9	0	0	0	112.1	V506 L665 R671 Y673	V506-Y669 HydrophobicContact CG1-CE2 4.22Å; L665-Y669 HydrophobicContact CB-CE2 4.1Å; L665-Y669 WeakPolarHBondContact O-CB 3.42Å; L665-Y669 WeakPolarHBondContact O-CD1 3.33Å; L665-Y669 VanDerWaalsContact O-CD2 3.23Å; L665-Y669 WeakPolarHBondContact O-CD2 3.24Å; L665-Y669 PolarHBondContact O-N 2.87Å; Y669-R671 PolarHBondContact O-N 2.86Å; Y669-Y673 AromaticContact CD1-CE2 3.89Å; Y669-Y673 HydrophobicContact CD1-CE2 3.89Å; Y669-Y673 HydrophobicContact CG-CD2 4.36Å; Y669-Y673 AromaticContact CG-CE2 3.81Å; Y669-Y673 HydrophobicContact CG-CE2 3.81Å; Y669-Y673 VanDerWaalsContact O-CD2 3.25Å; Y669-Y673 WeakPolarHBondContact O-CD2 3.42Å; Y669-Y673 PolarHBondContact O-N 3.01Å
670	K	86.8	Confident	85.8	Confident	134 Å²	134	37.7 Å²	37.7	58%	0.583	19%	0.189	S	C	*	.	H	α-helix	trans	-54.3	-31.3	178.5	-176.7	173.8	-177	-175.9	0	112	F487 R666 A667 V668 P674	F487-K670 HydrophobicContact CD2-CB 4.41Å; F487-K670 HydrophobicContact CD2-CG 4.02Å; R666-K670 VanDerWaalsContact O-CB 3.26Å; R666-K670 WeakPolarHBondContact O-CB 3.23Å; R666-K670 PolarHBondContact O-N 3.26Å; A667-K670 PolarHBondContact O-N 2.88Å; V668-K670 PolarHBondContact O-N 3.39Å; K670-P674 WeakPolarHBondContact O-CD 3.23Å; K670-P674 WeakPolarHBondContact O-CG 3.47Å
671	R	84.1	Confident	86.9	Confident	78 Å²	78	37.6 Å²	37.6	29%	0.294	19%	0.187	S	C	.	.	H	α-helix	trans	-95.2	-45.2	-175.9	-160.9	178.8	75.7	142.7	35.3	114.3	L404 D408 A667 V668 Y669 K675	L404-R671 VanDerWaalsContact CB-CZ 3.46Å; L404-R671 VanDerWaalsContact CB-NH1 3.32Å; L404-R671 VanDerWaalsContact CD1-CZ 3.42Å; D408-R671 IonicContact OD1-NH2 3.16Å; D408-R671 IonicContact OD2-NH2 2.8Å; A667-R671 PolarHBondContact O-N 3.23Å; V668-R671 PolarHBondContact O-N 2.96Å; Y669-R671 PolarHBondContact O-N 2.86Å; R671-K675 WeakPolarHBondContact O-CB 3.29Å
672	E	86.2	Confident	87.5	Confident	27 Å²	27	41 Å²	41	13%	0.126	20%	0.201	C	C	.	.	H	α-helix	trans	-79.8	-32.1	-171.5	-64.4	-58.5	127.7	0	0	112.8	V668 K675 F676	V668-E672 HydrophobicContact CG1-CG 3.88Å; V668-E672 WeakPolarHBondContact O-CB 3.24Å; V668-E672 WeakPolarHBondContact O-CG 3.47Å; V668-E672 PolarHBondContact O-N 3.38Å; E672-K675 PolarHBondContact O-N 3.31Å; E672-F676 VanDerWaalsContact O-CB 3.22Å; E672-F676 WeakPolarHBondContact O-CB 3.25Å; E672-F676 PolarHBondContact O-N 3.49Å
673	Y	90.4	Very high	88.1	Confident	28 Å²	28	40.3 Å²	40.3	11%	0.11	19%	0.193	C	C	.	.	H	α-helix	trans	-63.9	-48.7	178.4	-79	-70.5	0	0	0	113.4	L510 Y650 A652 Y669 K675 F676 L677	L510-Y673 HydrophobicContact CD1-CD1 3.81Å; L510-Y673 HydrophobicContact CD1-CD2 3.32Å; L510-Y673 HydrophobicContact CD1-CE1 4.12Å; L510-Y673 HydrophobicContact CD1-CE2 3.68Å; L510-Y673 HydrophobicContact CD1-CG 3.4Å; L510-Y673 VanDerWaalsContact CD1-CG 3.4Å; L510-Y673 HydrophobicContact CD2-CD1 4.24Å; L510-Y673 HydrophobicContact CD2-CE1 4.44Å; Y650-Y673 HydrophobicContact CE1-CD1 4.15Å; Y650-Y673 HydrophobicContact CE1-CE1 4.11Å; A652-Y673 HydrophobicContact CB-CE1 4.21Å; Y669-Y673 AromaticContact CD1-CE2 3.89Å; Y669-Y673 HydrophobicContact CD1-CE2 3.89Å; Y669-Y673 HydrophobicContact CG-CD2 4.36Å; Y669-Y673 AromaticContact CG-CE2 3.81Å; Y669-Y673 HydrophobicContact CG-CE2 3.81Å; Y669-Y673 VanDerWaalsContact O-CD2 3.25Å; Y669-Y673 WeakPolarHBondContact O-CD2 3.42Å; Y669-Y673 PolarHBondContact O-N 3.01Å; Y673-K675 VanDerWaalsContact C-N 3.32Å; Y673-K675 PolarHBondContact O-N 2.91Å; Y673-F676 PolarHBondContact O-N 3.45Å; Y673-L677 PolarHBondContact O-N 3.43Å; Y673-L677 VanDerWaalsContact O-N 3.15Å
674	P	91.2	Very high	88.7	Confident	13 Å²	13	37.4 Å²	37.4	8%	0.084	17%	0.173	C	C	.	.	H	α-helix	trans	-59	-42.7	172.9	-24.8	34.6	0	0	0	113.1	F487 S488 M493 M495 K670 K678	F487-P674 HydrophobicContact CE2-CG 4.29Å; S488-P674 WeakPolarHBondContact OG-CG 3.37Å; M493-P674 HydrophobicContact CE-CB 4.39Å; M495-P674 VanDerWaalsContact CE-CA 3.44Å; M495-P674 HydrophobicContact CE-CB 4.16Å; M495-P674 HydrophobicContact CE-CG 4.26Å; M495-P674 HydrophobicContact SD-CB 4.32Å; M495-P674 HydrophobicContact SD-CG 3.78Å; K670-P674 WeakPolarHBondContact O-CD 3.23Å; K670-P674 WeakPolarHBondContact O-CG 3.47Å; P674-K678 WeakPolarHBondContact O-CB 3.37Å; P674-K678 VanDerWaalsContact O-CG 3.28Å; P674-K678 WeakPolarHBondContact O-CG 3.41Å; P674-K678 PolarHBondContact O-N 3.03Å; P674-K678 VanDerWaalsContact O-N 3.11Å
675	K	88.8	Confident	89.4	Confident	54 Å²	54	40.3 Å²	40.3	24%	0.235	19%	0.188	C	C	.	.	H	α-helix	trans	-61.8	-45.2	178.6	-174.7	-177.4	170.1	-162.9	0	111.5	D408 D411 R671 E672 Y673 R679	D408-K675 IonicContact OD1-NZ 2.96Å; D408-K675 PolarHBondContact OD1-NZ 3.39Å; D411-K675 IonicContact OD2-NZ 3.38Å; D411-K675 PolarHBondContact OD2-NZ 2.88Å; R671-K675 WeakPolarHBondContact O-CB 3.29Å; E672-K675 PolarHBondContact O-N 3.31Å; Y673-K675 VanDerWaalsContact C-N 3.32Å; Y673-K675 PolarHBondContact O-N 2.91Å; K675-R679 VanDerWaalsContact O-CB 3.22Å; K675-R679 WeakPolarHBondContact O-CB 3.46Å; K675-R679 PolarHBondContact O-N 2.96Å
676	F	91.1	Very high	89.9	Confident	41 Å²	41	45.8 Å²	45.8	18%	0.18	21%	0.213	C	C	.	.	H	α-helix	trans	-57.4	-53.7	177.4	158.7	-94.7	0	0	0	112.1	F528 W537 Y650 E672 Y673 K678 R679 F680	F528-F676 AromaticContact CE2-CZ 3.89Å; F528-F676 HydrophobicContact CE2-CZ 3.89Å; W537-F676 HydrophobicContact CH2-CD2 4.46Å; W537-F676 AromaticContact CH2-CE2 3.63Å; W537-F676 HydrophobicContact CH2-CE2 3.63Å; W537-F676 HydrophobicContact CH2-CZ 4.34Å; W537-F676 AromaticContact CZ3-CD2 3.77Å; W537-F676 HydrophobicContact CZ3-CD2 3.77Å; W537-F676 AromaticContact CZ3-CE2 3.38Å; W537-F676 HydrophobicContact CZ3-CE2 3.38Å; W537-F676 HydrophobicContact CZ3-CZ 4.35Å; Y650-F676 HydrophobicContact CE1-CE1 4.27Å; Y650-F676 AromaticContact CE2-CE1 3.98Å; Y650-F676 HydrophobicContact CE2-CE1 3.98Å; Y650-F676 HydrophobicContact CE2-CZ 4.24Å; Y650-F676 AromaticContact CZ-CE1 3.84Å; E672-F676 VanDerWaalsContact O-CB 3.22Å; E672-F676 WeakPolarHBondContact O-CB 3.25Å; E672-F676 PolarHBondContact O-N 3.49Å; Y673-F676 PolarHBondContact O-N 3.45Å; F676-K678 PolarHBondContact O-N 2.98Å; F676-R679 PolarHBondContact O-N 3.28Å; F676-F680 WeakPolarHBondContact O-CB 3.39Å; F676-F680 PolarHBondContact O-N 2.94Å
677	L	92.5	Very high	90	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-67.4	-38.9	-176.2	-86.7	174.7	0	0	0	112.5	M493 M495 A512 M623 Y650 Y673 T681	M493-L677 HydrophobicContact SD-CB 3.99Å; M495-L677 HydrophobicContact CE-CB 4.01Å; M495-L677 HydrophobicContact CE-CD1 3.45Å; M495-L677 VanDerWaalsContact CE-CD1 3.45Å; M495-L677 HydrophobicContact CE-CG 4.24Å; A512-L677 HydrophobicContact CB-CD1 3.46Å; A512-L677 VanDerWaalsContact CB-CD1 3.46Å; M623-L677 HydrophobicContact CE-CD2 3.87Å; Y650-L677 HydrophobicContact CD1-CD1 4.28Å; Y650-L677 HydrophobicContact CG-CD1 4.41Å; Y650-L677 HydrophobicContact CG-CD2 4.44Å; Y673-L677 PolarHBondContact O-N 3.43Å; Y673-L677 VanDerWaalsContact O-N 3.15Å; L677-T681 VanDerWaalsContact O-CB 3.29Å; L677-T681 WeakPolarHBondContact O-CB 3.27Å; L677-T681 PolarHBondContact O-N 2.75Å; L677-T681 PolarHBondContact O-OG1 2.95Å
678	K	92.5	Very high	90.4	Very high	77 Å²	77	42 Å²	42	34%	0.335	19%	0.188	S	C	.	.	H	α-helix	trans	-62.2	-50	175	-75	176.1	178.2	-172.8	0	111.8	D490 M493 P674 F676 F680 T681 Q682	D490-K678 WeakPolarHBondContact OD2-CE 3.42Å; D490-K678 IonicContact OD2-NZ 3.22Å; D490-K678 PolarHBondContact OD2-NZ 3.37Å; M493-K678 HydrophobicContact CE-CD 4.23Å; M493-K678 HydrophobicContact CE-CG 3.8Å; M493-K678 HydrophobicContact SD-CG 4.46Å; P674-K678 WeakPolarHBondContact O-CB 3.37Å; P674-K678 VanDerWaalsContact O-CG 3.28Å; P674-K678 WeakPolarHBondContact O-CG 3.41Å; P674-K678 PolarHBondContact O-N 3.03Å; P674-K678 VanDerWaalsContact O-N 3.11Å; F676-K678 PolarHBondContact O-N 2.98Å; K678-F680 VanDerWaalsContact C-N 3.35Å; K678-F680 PolarHBondContact O-N 2.93Å; K678-T681 PolarHBondContact O-N 3.49Å; K678-Q682 WeakPolarHBondContact O-CB 3.49Å; K678-Q682 WeakPolarHBondContact O-CG 3.33Å; K678-Q682 PolarHBondContact O-N 3.42Å
679	R	90.8	Very high	90.7	Very high	32 Å²	32	48.8 Å²	48.8	12%	0.121	22%	0.219	C	C	.	.	H	α-helix	trans	-62.1	-44.1	-178.5	-175.9	176.9	178.6	117.6	9.6	111.3	W537 T539 K675 F676 Q682 Y683	W537-R679 WeakPolarHBondContact O-CD 3.46Å; W537-R679 PolarHBondContact O-NE 3.45Å; T539-R679 VanDerWaalsContact CG2-NH1 3.32Å; K675-R679 VanDerWaalsContact O-CB 3.22Å; K675-R679 WeakPolarHBondContact O-CB 3.46Å; K675-R679 PolarHBondContact O-N 2.96Å; F676-R679 PolarHBondContact O-N 3.28Å; R679-Q682 PolarHBondContact O-N 3.45Å; R679-Y683 WeakPolarHBondContact O-CB 3.37Å; R679-Y683 PolarHBondContact O-N 3.35Å
680	F	95.2	Very high	90.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.3	-44.6	176.5	-178	-117.4	0	0	0	111.7	Y524 F528 W537 F676 K678 Q682 Y683 V684	Y524-F680 AromaticContact CD1-CE1 3.83Å; Y524-F680 HydrophobicContact CD1-CE1 3.83Å; Y524-F680 AromaticContact CE1-CD1 3.81Å; Y524-F680 HydrophobicContact CE1-CD1 3.81Å; Y524-F680 AromaticContact CE1-CE1 3.39Å; Y524-F680 HydrophobicContact CE1-CE1 3.39Å; Y524-F680 HydrophobicContact CE2-CD1 4.28Å; Y524-F680 HydrophobicContact CE2-CE1 4.17Å; Y524-F680 HydrophobicContact CG-CE1 4.42Å; Y524-F680 AromaticContact CZ-CD1 3.59Å; Y524-F680 AromaticContact CZ-CE1 3.57Å; Y524-F680 WeakPolarHBondContact OH-CD1 3.41Å; F528-F680 HydrophobicContact CB-CE1 3.84Å; F528-F680 HydrophobicContact CB-CE2 4.38Å; F528-F680 HydrophobicContact CB-CZ 3.52Å; F528-F680 HydrophobicContact CD2-CD1 4.41Å; F528-F680 HydrophobicContact CD2-CE1 4Å; F528-F680 HydrophobicContact CD2-CE2 4.49Å; F528-F680 HydrophobicContact CD2-CZ 4.08Å; F528-F680 HydrophobicContact CG-CE1 4.29Å; F528-F680 HydrophobicContact CG-CZ 4.27Å; W537-F680 AromaticContact CD2-CD2 3.46Å; W537-F680 HydrophobicContact CD2-CD2 3.46Å; W537-F680 VanDerWaalsContact CD2-CD2 3.46Å; W537-F680 HydrophobicContact CD2-CE2 4.11Å; W537-F680 HydrophobicContact CD2-CG 4.39Å; W537-F680 AromaticContact CE2-CD2 3.48Å; W537-F680 VanDerWaalsContact CE2-CD2 3.48Å; W537-F680 AromaticContact CE2-CE2 3.68Å; W537-F680 HydrophobicContact CE3-CB 4.08Å; W537-F680 AromaticContact CE3-CD2 3.78Å; W537-F680 HydrophobicContact CE3-CD2 3.78Å; W537-F680 HydrophobicContact CE3-CG 4.29Å; W537-F680 AromaticContact CG-CD2 3.86Å; W537-F680 HydrophobicContact CG-CD2 3.86Å; W537-F680 HydrophobicContact CG-CE2 4.39Å; W537-F680 HydrophobicContact CH2-CD2 4.19Å; W537-F680 AromaticContact CZ2-CD2 3.85Å; W537-F680 HydrophobicContact CZ2-CD2 3.85Å; W537-F680 AromaticContact CZ2-CE2 3.99Å; W537-F680 HydrophobicContact CZ2-CE2 3.99Å; W537-F680 HydrophobicContact CZ3-CB 4.3Å; W537-F680 HydrophobicContact CZ3-CD2 4.15Å; W537-F680 HydrophobicContact CZ3-CG 4.42Å; W537-F680 AromaticContact NE1-CD2 3.83Å; W537-F680 AromaticContact NE1-CE2 3.68Å; F676-F680 WeakPolarHBondContact O-CB 3.39Å; F676-F680 PolarHBondContact O-N 2.94Å; K678-F680 VanDerWaalsContact C-N 3.35Å; K678-F680 PolarHBondContact O-N 2.93Å; F680-Q682 PolarHBondContact O-N 3Å; F680-Y683 WeakPolarHBondContact O-CB 3.25Å; F680-Y683 PolarHBondContact O-N 2.69Å; F680-V684 HydrophobicContact CD2-CG2 4.33Å; F680-V684 HydrophobicContact CE1-CG2 4.01Å; F680-V684 HydrophobicContact CE2-CG2 3.81Å; F680-V684 HydrophobicContact CZ-CG2 3.6Å; F680-V684 WeakPolarHBondContact O-CG2 3.35Å; F680-V684 PolarHBondContact O-N 2.92Å
681	T	95.2	Very high	90.8	Very high	9 Å²	9	49.1 Å²	49.1	6%	0.055	24%	0.243	C	C	.	.	H	α-helix	trans	-58.5	-47.5	176.2	-63	0	0	0	0	112	V516 Y524 L677 K678 Y683 V684 L685	V516-T681 HydrophobicContact CB-CG2 4.39Å; V516-T681 HydrophobicContact CG1-CG2 3.85Å; V516-T681 HydrophobicContact CG2-CG2 3.53Å; Y524-T681 PolarHBondContact OH-OG1 3.35Å; L677-T681 VanDerWaalsContact O-CB 3.29Å; L677-T681 WeakPolarHBondContact O-CB 3.27Å; L677-T681 PolarHBondContact O-N 2.75Å; L677-T681 PolarHBondContact O-OG1 2.95Å; K678-T681 PolarHBondContact O-N 3.49Å; T681-Y683 VanDerWaalsContact C-N 3.34Å; T681-Y683 PolarHBondContact O-N 3.39Å; T681-V684 PolarHBondContact O-N 2.95Å; T681-L685 HydrophobicContact CG2-CD1 3.98Å; T681-L685 WeakPolarHBondContact O-CG 3.42Å; T681-L685 PolarHBondContact O-N 3.24Å
682	Q	93	Very high	90.9	Very high	101 Å²	101	49.7 Å²	49.7	47%	0.472	26%	0.26	S	S	.	.	H	α-helix	trans	-60.9	-42.4	176.8	-73.8	173.6	-14.8	0	0	112	K678 R679 F680 L685 Q686	K678-Q682 WeakPolarHBondContact O-CB 3.49Å; K678-Q682 WeakPolarHBondContact O-CG 3.33Å; K678-Q682 PolarHBondContact O-N 3.42Å; R679-Q682 PolarHBondContact O-N 3.45Å; F680-Q682 PolarHBondContact O-N 3Å; Q682-L685 PolarHBondContact O-N 3.48Å; Q682-Q686 VanDerWaalsContact O-CG 3.31Å; Q682-Q686 WeakPolarHBondContact O-CG 3.26Å; Q682-Q686 PolarHBondContact O-N 2.7Å
683	Y	93.3	Very high	91	Very high	20 Å²	20	50.1 Å²	50.1	8%	0.078	26%	0.262	C	S	.	.	H	α-helix	trans	-59.3	-48	175.4	174.9	-96.6	0	0	0	111.8	Y527 Y533 D536 W537 R679 F680 T681 L685 Q686 K687	Y527-Y683 AromaticContact CD1-CE1 3.97Å; Y527-Y683 HydrophobicContact CD1-CE1 3.97Å; Y527-Y683 HydrophobicContact CG-CE1 4.41Å; Y533-Y683 WeakPolarHBondContact CB-OH 3.39Å; Y533-Y683 WeakPolarHBondContact CD1-OH 3.18Å; D536-Y683 HydrophobicContact CB-CD2 4.31Å; D536-Y683 HydrophobicContact CB-CE2 3.38Å; D536-Y683 PolarHBondContact OD2-OH 2.64Å; W537-Y683 HydrophobicContact CB-CD1 3.97Å; W537-Y683 HydrophobicContact CB-CD2 3.85Å; W537-Y683 HydrophobicContact CB-CE1 4.49Å; W537-Y683 HydrophobicContact CB-CE2 4.37Å; W537-Y683 HydrophobicContact CB-CG 3.61Å; W537-Y683 AromaticContact CD1-CD1 3.73Å; W537-Y683 AromaticContact CD1-CE1 3.68Å; W537-Y683 HydrophobicContact CG-CD1 4.09Å; W537-Y683 HydrophobicContact CG-CE1 4.42Å; W537-Y683 HydrophobicContact CG-CG 4.24Å; R679-Y683 WeakPolarHBondContact O-CB 3.37Å; R679-Y683 PolarHBondContact O-N 3.35Å; F680-Y683 WeakPolarHBondContact O-CB 3.25Å; F680-Y683 PolarHBondContact O-N 2.69Å; T681-Y683 VanDerWaalsContact C-N 3.34Å; T681-Y683 PolarHBondContact O-N 3.39Å; Y683-L685 PolarHBondContact O-N 3.44Å; Y683-Q686 PolarHBondContact O-N 2.85Å; Y683-K687 HydrophobicContact CD1-CG 4.31Å; Y683-K687 HydrophobicContact CD2-CG 4.45Å; Y683-K687 HydrophobicContact CE1-CG 3.91Å; Y683-K687 HydrophobicContact CE2-CD 4.37Å; Y683-K687 HydrophobicContact CE2-CG 4.09Å; Y683-K687 WeakPolarHBondContact O-CG 3.42Å; Y683-K687 PolarHBondContact O-N 2.82Å; Y683-K687 WeakPolarHBondContact OH-CE 3.32Å
684	V	94.1	Very high	90.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.6	-48.2	178.3	174.7	0	0	0	0	110.6	V519 Y524 Y527 F680 T681 Q686 K687 V688	V519-V684 HydrophobicContact CG1-CG1 3.71Å; V519-V684 HydrophobicContact CG2-CG1 4.39Å; Y524-V684 HydrophobicContact CD2-CB 4.37Å; Y524-V684 HydrophobicContact CD2-CG1 4.13Å; Y524-V684 HydrophobicContact CD2-CG2 4.29Å; Y527-V684 HydrophobicContact CD2-CB 4.41Å; Y527-V684 HydrophobicContact CD2-CG1 3.96Å; Y527-V684 HydrophobicContact CD2-CG2 4Å; Y527-V684 HydrophobicContact CE2-CG1 4.38Å; Y527-V684 HydrophobicContact CG-CG2 4.23Å; F680-V684 HydrophobicContact CD2-CG2 4.33Å; F680-V684 HydrophobicContact CE1-CG2 4.01Å; F680-V684 HydrophobicContact CE2-CG2 3.81Å; F680-V684 HydrophobicContact CZ-CG2 3.6Å; F680-V684 WeakPolarHBondContact O-CG2 3.35Å; F680-V684 PolarHBondContact O-N 2.92Å; T681-V684 PolarHBondContact O-N 2.95Å; V684-Q686 PolarHBondContact O-N 3.43Å; V684-K687 PolarHBondContact O-N 2.74Å; V684-K687 VanDerWaalsContact O-N 3.08Å; V684-V688 HydrophobicContact CG1-CG1 4.34Å; V684-V688 WeakPolarHBondContact O-CG1 3.45Å; V684-V688 WeakPolarHBondContact O-CG2 3.37Å; V684-V688 PolarHBondContact O-N 2.91Å
685	L	93.8	Very high	90.1	Very high	66 Å²	66	55.9 Å²	55.9	35%	0.346	29%	0.291	S	S	.	.	H	α-helix	trans	-55.8	-47.4	178.2	-74.8	169.1	0	0	0	112	V516 V519 T681 Q682 Y683 K687 V688 E689	V516-L685 HydrophobicContact CG1-CD1 4.33Å; V516-L685 HydrophobicContact CG1-CD2 4.12Å; V516-L685 HydrophobicContact CG1-CG 4.34Å; V519-L685 HydrophobicContact CG2-CD2 3.41Å; V519-L685 VanDerWaalsContact CG2-CD2 3.41Å; V519-L685 HydrophobicContact CG2-CG 4.2Å; T681-L685 HydrophobicContact CG2-CD1 3.98Å; T681-L685 WeakPolarHBondContact O-CG 3.42Å; T681-L685 PolarHBondContact O-N 3.24Å; Q682-L685 PolarHBondContact O-N 3.48Å; Y683-L685 PolarHBondContact O-N 3.44Å; L685-K687 VanDerWaalsContact C-N 3.32Å; L685-K687 PolarHBondContact O-N 2.96Å; L685-V688 WeakPolarHBondContact O-CG2 2.77Å; L685-V688 PolarHBondContact O-N 2.82Å; L685-E689 WeakPolarHBondContact O-CB 3.38Å; L685-E689 PolarHBondContact O-N 3.4Å
686	Q	91.8	Very high	90.2	Very high	119 Å²	119	56 Å²	56	56%	0.556	29%	0.294	S	S	*	.	H	α-helix	trans	-62.4	-37.2	176.4	-72.5	174	10.3	0	0	112.5	Q682 Y683 V684	Q682-Q686 VanDerWaalsContact O-CG 3.31Å; Q682-Q686 WeakPolarHBondContact O-CG 3.26Å; Q682-Q686 PolarHBondContact O-N 2.7Å; Y683-Q686 PolarHBondContact O-N 2.85Å; V684-Q686 PolarHBondContact O-N 3.43Å
687	K	89.7	Confident	90.1	Very high	33 Å²	33	56.8 Å²	56.8	14%	0.143	30%	0.3	C	S	.	.	H	α-helix	trans	-74.9	-27	179.9	-70	-62.1	-171.3	-170.4	0	113.4	T423 Y527 Y683 V684 L685 R691	T423-K687 PolarHBondContact OG1-NZ 3.33Å; Y527-K687 HydrophobicContact CE1-CB 3.93Å; Y527-K687 HydrophobicContact CE1-CG 4.12Å; Y527-K687 HydrophobicContact CE2-CB 4.17Å; Y527-K687 WeakPolarHBondContact OH-CB 3.26Å; Y683-K687 HydrophobicContact CD1-CG 4.31Å; Y683-K687 HydrophobicContact CD2-CG 4.45Å; Y683-K687 HydrophobicContact CE1-CG 3.91Å; Y683-K687 HydrophobicContact CE2-CD 4.37Å; Y683-K687 HydrophobicContact CE2-CG 4.09Å; Y683-K687 WeakPolarHBondContact O-CG 3.42Å; Y683-K687 PolarHBondContact O-N 2.82Å; Y683-K687 WeakPolarHBondContact OH-CE 3.32Å; V684-K687 PolarHBondContact O-N 2.74Å; V684-K687 VanDerWaalsContact O-N 3.08Å; L685-K687 VanDerWaalsContact C-N 3.32Å; L685-K687 PolarHBondContact O-N 2.96Å; K687-R691 WeakPolarHBondContact O-CD 3.26Å; K687-R691 PolarHBondContact O-NE 3.19Å; K687-R691 PolarHBondContact O-NH1 2.79Å; K687-R691 VanDerWaalsContact O-NH1 3.09Å
688	V	90.8	Very high	90	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.024	32%	0.317	C	S	.	.	H	α-helix	trans	-94.7	-12	178.5	-55.9	0	0	0	0	113.4	V519 E523 Y527 R641 V684 L685 G690 R691	V519-V688 HydrophobicContact CG2-CG2 4.12Å; E523-V688 HydrophobicContact CB-CG1 4.21Å; E523-V688 HydrophobicContact CG-CG1 4.33Å; Y527-V688 HydrophobicContact CE2-CG1 3.86Å; R641-V688 PolarHBondContact NE-O 3.43Å; R641-V688 PolarHBondContact NH2-O 2.89Å; V684-V688 HydrophobicContact CG1-CG1 4.34Å; V684-V688 WeakPolarHBondContact O-CG1 3.45Å; V684-V688 WeakPolarHBondContact O-CG2 3.37Å; V684-V688 PolarHBondContact O-N 2.91Å; L685-V688 WeakPolarHBondContact O-CG2 2.77Å; L685-V688 PolarHBondContact O-N 2.82Å; V688-G690 PolarHBondContact O-N 2.99Å; V688-R691 WeakPolarHBondContact O-CB 3.48Å; V688-R691 PolarHBondContact O-N 3.2Å
689	E	89.5	Confident	89.8	Confident	152 Å²	152	58.9 Å²	58.9	71%	0.71	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	131.8	177.3	-169.5	172.9	-163.4	0	0	111.6	L685 R691	L685-E689 WeakPolarHBondContact O-CB 3.38Å; L685-E689 PolarHBondContact O-N 3.4Å; E689-R691 PolarHBondContact O-N 3.17Å
690	G	86.5	Confident	89.8	Confident	87 Å²	87	60.6 Å²	60.6	90%	0.897	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	-0.1	-178.6	0	0	0	0	0	115.9	V688	V688-G690 PolarHBondContact O-N 2.99Å
691	R	86.5	Confident	89.4	Confident	89 Å²	89	64.6 Å²	64.6	34%	0.336	35%	0.35	S	S	.	.	S	Bend	trans	-96.6	153.1	177.9	-59.8	-175.6	180	169.7	2.2	112	V425 Y527 R641 K687 V688 E689	V425-R691 VanDerWaalsContact CB-NH1 3.27Å; Y527-R691 PolarHBondContact OH-NH1 3.22Å; Y527-R691 VanDerWaalsContact OH-NH1 3.17Å; R641-R691 PolarHBondContact NE-O 3.13Å; R641-R691 PolarHBondContact NH2-O 2.91Å; K687-R691 WeakPolarHBondContact O-CD 3.26Å; K687-R691 PolarHBondContact O-NE 3.19Å; K687-R691 PolarHBondContact O-NH1 2.79Å; K687-R691 VanDerWaalsContact O-NH1 3.09Å; V688-R691 WeakPolarHBondContact O-CB 3.48Å; V688-R691 PolarHBondContact O-N 3.2Å; E689-R691 PolarHBondContact O-N 3.17Å
692	S	86.7	Confident	89	Confident	91 Å²	91	68.6 Å²	68.6	64%	0.636	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-59.5	137.7	170.6	57.1	0	0	0	0	110.7	R641 Q694	R641-S692 PolarHBondContact NH2-O 2.73Å; R641-S692 VanDerWaalsContact NH2-O 3.1Å; S692-Q694 PolarHBondContact O-N 2.94Å
693	L	86.7	Confident	88.7	Confident	35 Å²	35	66.1 Å²	66.1	18%	0.183	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-57.6	131.4	173.7	178.4	69.1	0	0	0	109.9	L639 R641 V644 L695	L639-L693 HydrophobicContact CB-CD2 4.04Å; R641-L693 HydrophobicContact CG-CB 4.2Å; R641-L693 HydrophobicContact CG-CD1 4.36Å; V644-L693 HydrophobicContact CB-CD2 4.37Å; V644-L693 HydrophobicContact CG2-CD2 3.72Å; L693-L695 HydrophobicContact CD2-CD2 4.16Å; L693-L695 HydrophobicContact CD2-CG 4.26Å; L693-L695 HydrophobicContact CG-CD2 4.38Å; L693-L695 HydrophobicContact CG-CG 4.37Å
694	Q	83.1	Confident	88.3	Confident	82 Å²	82	69.9 Å²	69.9	38%	0.383	39%	0.387	S	S	.	.			trans	-114.2	119.8	172.8	-57.9	-168.4	4.6	0	0	108.8	L427 S520 E523 S692	L427-Q694 HydrophobicContact CD2-CB 4.1Å; S520-Q694 VanDerWaalsContact CB-O 3.24Å; S520-Q694 WeakPolarHBondContact CB-O 3.4Å; S520-Q694 PolarHBondContact OG-O 3.26Å; E523-Q694 HydrophobicContact CG-CB 4.28Å; E523-Q694 PolarHBondContact OE1-N 3.38Å; S692-Q694 PolarHBondContact O-N 2.94Å
695	L	80.6	Confident	87.8	Confident	81 Å²	81	76.3 Å²	76.3	42%	0.424	42%	0.422	S	S	.	.			trans	-93.9	0	178.1	-67.4	171.4	0	0	0	111	S522 T627 L639 L693	S522-L695 WeakPolarHBondContact CB-OXT 3.49Å; T627-L695 HydrophobicContact CG2-CD2 3.91Å; L639-L695 HydrophobicContact CD1-CD1 4.09Å; L693-L695 HydrophobicContact CD2-CD2 4.16Å; L693-L695 HydrophobicContact CD2-CG 4.26Å; L693-L695 HydrophobicContact CG-CD2 4.38Å; L693-L695 HydrophobicContact CG-CG 4.37Å

Retrieved 695 of 695 residues in 232.4 ms (Link to these results)

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