A0A087XU97_POEFO Loading...

Pentraxin 3

AlphaFold DB , UniProt , Accession A0A087XU97, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 444 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	46.3	Very low	48.2	Very low	240 Å²	240	147 Å²	147	100%	1.182	71%	0.706	S	S	*	*				0	56.5	0	-163	-178.2	-78.4	0	0	109.9
2	V	43.5	Very low	48.3	Very low	125 Å²	125	145.3 Å²	145.3	76%	0.758	70%	0.703	S	S	*	*			trans	-146.6	40.4	-176.7	-166.9	0	0	0	0	110.1
3	W	43.3	Very low	48.5	Very low	233 Å²	233	144 Å²	144	88%	0.883	70%	0.7	S	S	*	*	S	Bend	trans	-129.9	18.2	-179.8	-84.9	63.7	0	0	0	112.6
4	W	44.8	Very low	48.7	Very low	222 Å²	222	138.8 Å²	138.8	84%	0.841	69%	0.686	S	S	*	*	S	Bend	trans	-120.1	3.1	178.6	-146.8	-90.1	0	0	0	114.4
5	R	47.2	Very low	48.8	Very low	205 Å²	205	134.5 Å²	134.5	77%	0.774	67%	0.67	S	S	*	*	S	Bend	trans	-105.8	0.9	-178.3	-68	-132.1	173.6	-167.1	-2.8	115.1
6	I	51	Low	48.4	Very low	122 Å²	122	131.4 Å²	131.4	63%	0.626	66%	0.664	S	S	*	*	H	α-helix	trans	-81	-34.6	-179.8	-55.7	177.9	0	0	0	113	A10	I6-A10 PolarHBondContact O-N 2.8Å
7	P	50.2	Low	48.3	Very low	86 Å²	86	126.5 Å²	126.5	56%	0.558	65%	0.649	S	S	*	*	H	α-helix	trans	-71.7	-34.9	-179.8	-11	24.5	0	0	0	113.5	A10 F11	P7-A10 PolarHBondContact O-N 2.61Å; P7-F11 PolarHBondContact O-N 2.97Å
8	E	47.3	Very low	48	Very low	124 Å²	124	124.2 Å²	124.2	58%	0.579	64%	0.644	S	S	*	*	H	α-helix	trans	-71	-34.9	-179.3	-71.5	178.2	161.2	0	0	112.4	L12	E8-L12 WeakPolarHBondContact O-CG 3.45Å; E8-L12 PolarHBondContact O-N 3.33Å
9	A	52.4	Low	47.7	Very low	51 Å²	51	122.7 Å²	122.7	42%	0.421	64%	0.641	S	S	.	*	H	α-helix	trans	-70.9	-34.7	176.4	0	0	0	0	0	112.5	L13	A9-L13 WeakPolarHBondContact O-CG 3.4Å; A9-L13 PolarHBondContact O-N 3.5Å; A9-L13 VanDerWaalsContact O-N 3.15Å
10	A	53.1	Low	47.5	Very low	60 Å²	60	121.5 Å²	121.5	50%	0.496	64%	0.639	S	S	.	*	H	α-helix	trans	-70.5	-34.3	176.7	0	0	0	0	0	112.4	I6 P7 S14	I6-A10 PolarHBondContact O-N 2.8Å; P7-A10 PolarHBondContact O-N 2.61Å; A10-S14 WeakPolarHBondContact O-CB 3.28Å; A10-S14 PolarHBondContact O-N 3.46Å; A10-S14 VanDerWaalsContact O-N 3.14Å
11	F	51.1	Low	47.3	Very low	149 Å²	149	122.7 Å²	122.7	65%	0.654	65%	0.645	S	S	*	*	H	α-helix	trans	-69.9	-41.8	176.8	-163.7	-98.9	0	0	0	111.8	P7 S14 V15	P7-F11 PolarHBondContact O-N 2.97Å; F11-S14 PolarHBondContact O-N 3.03Å; F11-V15 HydrophobicContact CD1-CG2 4.36Å; F11-V15 HydrophobicContact CE1-CG2 4.16Å; F11-V15 WeakPolarHBondContact O-CG2 3.37Å; F11-V15 PolarHBondContact O-N 2.72Å; F11-V15 VanDerWaalsContact O-N 3.12Å
12	L	49.1	Very low	47.1	Very low	127 Å²	127	115 Å²	115	67%	0.665	62%	0.62	S	S	*	*	H	α-helix	trans	-67.6	-35.1	177.1	-73.1	168.6	0	0	0	112.9	E8 C16	E8-L12 WeakPolarHBondContact O-CG 3.45Å; E8-L12 PolarHBondContact O-N 3.33Å; L12-C16 WeakPolarHBondContact O-CB 3.28Å; L12-C16 PolarHBondContact O-N 3.49Å; L12-C16 VanDerWaalsContact O-N 3.11Å
13	L	51.2	Low	47	Very low	128 Å²	128	119 Å²	119	67%	0.67	62%	0.623	S	S	*	*	H	α-helix	trans	-70.5	-35.4	175.2	-78.9	165.1	0	0	0	112.9	A9 C16 A17	A9-L13 WeakPolarHBondContact O-CG 3.4Å; A9-L13 PolarHBondContact O-N 3.5Å; A9-L13 VanDerWaalsContact O-N 3.15Å; L13-C16 PolarHBondContact O-N 3.32Å; L13-A17 WeakPolarHBondContact O-CB 3.3Å; L13-A17 PolarHBondContact O-N 3.28Å
14	S	52.1	Low	46.8	Very low	71 Å²	71	116.2 Å²	116.2	50%	0.497	62%	0.62	S	S	.	*	H	α-helix	trans	-66.5	-43.4	175.6	-176.8	0	0	0	0	112	A10 F11 C16 A17 C18	A10-S14 WeakPolarHBondContact O-CB 3.28Å; A10-S14 PolarHBondContact O-N 3.46Å; A10-S14 VanDerWaalsContact O-N 3.14Å; F11-S14 PolarHBondContact O-N 3.03Å; S14-C16 VanDerWaalsContact C-N 3.34Å; S14-C16 PolarHBondContact O-N 3.44Å; S14-A17 PolarHBondContact O-N 3.36Å; S14-C18 PolarHBondContact O-N 3.09Å; S14-C18 VanDerWaalsContact O-N 3.13Å; S14-C18 PolarHBondContact O-SG 2.68Å; S14-C18 VanDerWaalsContact O-SG 3.35Å
15	V	48.8	Very low	46.3	Very low	75 Å²	75	113 Å²	113	46%	0.455	62%	0.619	S	S	.	*	H	α-helix	trans	-66.8	-36.3	177.1	175.5	0	0	0	0	111.4	F11 V19	F11-V15 HydrophobicContact CD1-CG2 4.36Å; F11-V15 HydrophobicContact CE1-CG2 4.16Å; F11-V15 WeakPolarHBondContact O-CG2 3.37Å; F11-V15 PolarHBondContact O-N 2.72Å; F11-V15 VanDerWaalsContact O-N 3.12Å; V15-V19 WeakPolarHBondContact O-CG2 3.38Å; V15-V19 PolarHBondContact O-N 3.44Å
16	C	43.5	Very low	45.8	Very low	85 Å²	85	111.3 Å²	111.3	57%	0.574	63%	0.625	S	S	*	*	H	α-helix	trans	-69.6	-38	177.6	-130.6	0	0	0	0	112.6	L12 L13 S14 V19 T20	L12-C16 WeakPolarHBondContact O-CB 3.28Å; L12-C16 PolarHBondContact O-N 3.49Å; L12-C16 VanDerWaalsContact O-N 3.11Å; L13-C16 PolarHBondContact O-N 3.32Å; S14-C16 VanDerWaalsContact C-N 3.34Å; S14-C16 PolarHBondContact O-N 3.44Å; C16-V19 PolarHBondContact O-N 2.63Å; C16-T20 PolarHBondContact O-N 3.26Å; C16-T20 PolarHBondContact O-OG1 3.48Å
17	A	45.7	Very low	45.2	Very low	48 Å²	48	112.5 Å²	112.5	40%	0.397	63%	0.631	S	S	.	*	H	α-helix	trans	-70.7	-32.9	177.5	0	0	0	0	0	113.4	L13 S14 T20 L21	L13-A17 WeakPolarHBondContact O-CB 3.3Å; L13-A17 PolarHBondContact O-N 3.28Å; S14-A17 PolarHBondContact O-N 3.36Å; A17-T20 PolarHBondContact O-OG1 2.67Å; A17-L21 PolarHBondContact O-N 3.22Å
18	C	43.7	Very low	44.4	Very low	84 Å²	84	117.3 Å²	117.3	57%	0.568	65%	0.646	S	S	*	*	H	α-helix	trans	-71	-29.6	175.1	-70.5	0	0	0	0	112.9	S14	S14-C18 PolarHBondContact O-N 3.09Å; S14-C18 VanDerWaalsContact O-N 3.13Å; S14-C18 PolarHBondContact O-SG 2.68Å; S14-C18 VanDerWaalsContact O-SG 3.35Å
19	V	41.3	Very low	43.8	Very low	97 Å²	97	117.9 Å²	117.9	59%	0.588	65%	0.652	S	S	*	*	H	α-helix	trans	-78	-29	178.3	174.4	0	0	0	0	111.7	V15 C16	V15-V19 WeakPolarHBondContact O-CG2 3.38Å; V15-V19 PolarHBondContact O-N 3.44Å; C16-V19 PolarHBondContact O-N 2.63Å
20	T	44.4	Very low	42.8	Very low	98 Å²	98	123.7 Å²	123.7	60%	0.601	67%	0.671	S	S	*	*	H	α-helix	trans	-76.1	-25.4	175.4	49.5	0	0	0	0	114	C16 A17	C16-T20 PolarHBondContact O-N 3.26Å; C16-T20 PolarHBondContact O-OG1 3.48Å; A17-T20 PolarHBondContact O-OG1 2.67Å
21	L	42.7	Very low	42	Very low	147 Å²	147	131.5 Å²	131.5	77%	0.77	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-6.7	177.8	-73.8	171.9	0	0	0	114	A17	A17-L21 PolarHBondContact O-N 3.22Å
22	A	43.6	Very low	41.1	Very low	79 Å²	79	128.3 Å²	128.3	65%	0.653	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.1	4.8	-179.4	0	0	0	0	0	113.6
23	Y	39.8	Very low	40.7	Very low	207 Å²	207	128.6 Å²	128.6	81%	0.812	69%	0.687	S	S	*	*	S	Bend	trans	-121.9	6.1	-174.1	-122.3	-91.7	0	0	0	115.2
24	E	40.2	Very low	39.9	Very low	176 Å²	176	133.2 Å²	133.2	82%	0.822	70%	0.697	S	S	*	*			trans	-131	79.3	169.1	-78	-171.8	154.8	0	0	109.4
25	D	34.9	Very low	39.1	Very low	155 Å²	155	140 Å²	140	83%	0.829	71%	0.714	S	S	*	*			trans	-132.6	100.7	151.7	-100.4	-25.5	0	0	0	106.7	I27	D25-I27 PolarHBondContact O-N 3.11Å
26	D	35.7	Very low	38.9	Very low	168 Å²	168	143.5 Å²	143.5	90%	0.898	73%	0.73	S	S	*	*			trans	-61.2	114.1	169.4	-87.8	-42.6	0	0	0	109.1
27	I	37.9	Very low	38.7	Very low	147 Å²	147	147.9 Å²	147.9	75%	0.754	74%	0.742	S	S	*	*			trans	-103.1	94.5	164.8	-59.1	178.7	0	0	0	107.5	D25 I29	D25-I27 PolarHBondContact O-N 3.11Å; I27-I29 PolarHBondContact O-N 3.05Å
28	E	33	Very low	38.6	Very low	187 Å²	187	153.1 Å²	153.1	87%	0.874	76%	0.762	S	S	*	*			trans	-59.8	112.6	163.7	-95.8	-177.4	149.1	0	0	109.6	Q30	E28-Q30 PolarHBondContact O-N 3.02Å
29	I	35.7	Very low	38.4	Very low	136 Å²	136	154.7 Å²	154.7	70%	0.697	77%	0.773	S	S	*	*			trans	-88.2	100.3	173.2	-58.6	176.5	0	0	0	108.3	I27 Y31	I27-I29 PolarHBondContact O-N 3.05Å; I29-Y31 HydrophobicContact CG2-CD2 3.86Å; I29-Y31 HydrophobicContact CG2-CE2 3.9Å
30	Q	31.7	Very low	38.4	Very low	174 Å²	174	157.9 Å²	157.9	81%	0.813	79%	0.787	S	S	*	*			trans	-88.8	104.6	172.4	-168.7	158.6	16.1	0	0	110.3	E28 S32	E28-Q30 PolarHBondContact O-N 3.02Å; Q30-S32 PolarHBondContact O-N 2.62Å
31	Y	36.7	Very low	38	Very low	223 Å²	223	156.9 Å²	156.9	88%	0.875	80%	0.796	S	S	*	*			trans	-79.5	109	168.2	-95.1	-92.5	0	0	0	109.7	I29	I29-Y31 HydrophobicContact CG2-CD2 3.86Å; I29-Y31 HydrophobicContact CG2-CE2 3.9Å
32	S	31.9	Very low	37.6	Very low	83 Å²	83	154.8 Å²	154.8	58%	0.58	80%	0.801	S	S	*	*			trans	-158.9	115.9	157.5	57.4	0	0	0	0	112.1	Q30	Q30-S32 PolarHBondContact O-N 2.62Å
33	D	39.3	Very low	37.4	Very low	133 Å²	133	157.8 Å²	157.8	71%	0.711	81%	0.811	S	S	*	*			trans	47	105.2	140.4	-61.9	-27.5	0	0	0	119.4
34	Y	35	Very low	37.8	Very low	224 Å²	224	153.5 Å²	153.5	88%	0.878	81%	0.808	S	S	*	*			trans	-145.9	97.2	131.5	-92.4	-76.6	0	0	0	110.3
35	Y	35.5	Very low	37.5	Very low	214 Å²	214	149.6 Å²	149.6	84%	0.839	81%	0.806	S	S	*	*			trans	-62.2	122.1	151.4	-95.7	-97.4	0	0	0	107.9	E37	Y35-E37 PolarHBondContact O-N 3.04Å
36	N	44.2	Very low	38	Very low	149 Å²	149	148.2 Å²	148.2	80%	0.797	81%	0.806	S	S	*	*			trans	-89.7	99.2	162.6	-79.8	-27.4	0	0	0	108.2
37	E	40.6	Very low	38	Very low	177 Å²	177	146.8 Å²	146.8	83%	0.827	80%	0.803	S	S	*	*			trans	-61.6	133.8	164.4	-73.2	-177	151.6	0	0	110.1	Y35	Y35-E37 PolarHBondContact O-N 3.04Å
38	I	42.2	Very low	38.1	Very low	157 Å²	157	145.3 Å²	145.3	81%	0.805	80%	0.803	S	S	*	*			trans	-76.4	120	170.3	-62.2	165.1	0	0	0	107.2
39	S	40.1	Very low	38.5	Very low	117 Å²	117	142.1 Å²	142.1	82%	0.818	80%	0.801	S	S	*	*			trans	-98	114.2	165.1	-88.8	0	0	0	0	110.2
40	D	41.5	Very low	38.5	Very low	164 Å²	164	141.1 Å²	141.1	88%	0.877	81%	0.807	S	S	*	*			trans	-69.8	136.2	162.4	-87.6	-40.7	0	0	0	110.8
41	G	35.4	Very low	38.9	Very low	77 Å²	77	138.7 Å²	138.7	79%	0.794	80%	0.804	S	S	*	*			trans	132.5	94.8	152.9	0	0	0	0	0	116.6
42	A	33.7	Very low	39.4	Very low	104 Å²	104	134 Å²	134	86%	0.86	80%	0.8	S	S	*	*				174	122.2	120.4	0	0	0	0	0	111.3
43	T	41.2	Very low	39.6	Very low	142 Å²	142	136 Å²	136	87%	0.871	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-71	150.8	177.6	-32.5	0	0	0	0	111.4
44	P	47.1	Very low	40.2	Very low	116 Å²	116	137.5 Å²	137.5	75%	0.753	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-92	160.9	-164.3	35.2	-32.1	0	0	0	114.4
45	A	34	Very low	41	Very low	94 Å²	94	132.1 Å²	132.1	78%	0.777	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-88.5	143.3	167.8	0	0	0	0	0	111.2
46	P	44.4	Very low	42.1	Very low	126 Å²	126	127 Å²	127	82%	0.818	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-94.6	146.8	-163.2	36.4	-33.2	0	0	0	113.7
47	T	36.9	Very low	42.7	Very low	138 Å²	138	127.7 Å²	127.7	85%	0.847	81%	0.813	S	S	*	*			trans	-129.8	145.3	160.7	-7.5	0	0	0	0	108.5
48	P	40.4	Very low	43.7	Very low	117 Å²	117	123.6 Å²	123.6	76%	0.76	80%	0.797	S	S	*	*			trans	-85.6	156.5	-146.9	33.3	-33.8	0	0	0	114.3
49	S	39.9	Very low	45.1	Very low	119 Å²	119	120 Å²	120	83%	0.832	78%	0.782	S	S	*	*			trans	-43.5	136.7	172.8	54.2	0	0	0	0	115.2
50	S	37.4	Very low	46.5	Very low	115 Å²	115	122.1 Å²	122.1	80%	0.804	78%	0.776	S	S	*	*			trans	-117.9	148.7	141.4	65.4	0	0	0	0	110
51	T	40.1	Very low	47.7	Very low	123 Å²	123	122.3 Å²	122.3	76%	0.755	77%	0.765	S	S	*	*			trans	-49	159.3	-167.4	29.6	0	0	0	0	117.9	C53	T51-C53 PolarHBondContact O-N 2.96Å
52	P	46.8	Very low	49.3	Very low	124 Å²	124	122 Å²	122	81%	0.805	75%	0.745	S	S	*	*			trans	-71.9	122.9	-173	31.2	-36.2	0	0	0	111.9
53	C	35.4	Very low	50.9	Low	127 Å²	127	122 Å²	122	86%	0.858	73%	0.726	S	S	*	*			trans	-86.8	114.1	170.4	-76.5	0	0	0	0	109.9	T51 S55	T51-C53 PolarHBondContact O-N 2.96Å; C53-S55 PolarHBondContact O-N 3.13Å
54	N	53.1	Low	52	Low	164 Å²	164	117.5 Å²	117.5	88%	0.877	70%	0.696	S	S	*	*			trans	-61.2	114.2	161.2	-74	-37.1	0	0	0	108.4
55	S	50.5	Low	52.9	Low	111 Å²	111	118 Å²	118	78%	0.776	69%	0.686	S	S	*	*			trans	-79.9	129.7	172.5	57.1	0	0	0	0	110.1	C53	C53-S55 PolarHBondContact O-N 3.13Å
56	P	59.5	Low	54.2	Low	107 Å²	107	116.8 Å²	116.8	70%	0.695	67%	0.672	S	S	*	*			trans	-72.1	146.4	170.8	30.3	-32	0	0	0	110.5	L58	P56-L58 PolarHBondContact O-N 3.28Å; P56-L58 VanDerWaalsContact O-N 3.11Å
57	D	55.5	Low	55	Low	162 Å²	162	114.7 Å²	114.7	87%	0.866	65%	0.653	S	S	*	*			trans	-59	112.2	177	-94	-42.3	0	0	0	111.2
58	L	62.8	Low	56	Low	92 Å²	92	111.5 Å²	111.5	48%	0.482	63%	0.629	S	S	.	*			trans	-70	136.6	178.1	-68.7	172.4	0	0	0	111.1	P56 D62 K63	P56-L58 PolarHBondContact O-N 3.28Å; P56-L58 VanDerWaalsContact O-N 3.11Å; L58-D62 HydrophobicContact CB-CB 3.89Å; L58-D62 HydrophobicContact CD2-CB 3.92Å; L58-D62 HydrophobicContact CG-CB 4.39Å; L58-K63 HydrophobicContact CB-CG 4.23Å; L58-K63 WeakPolarHBondContact O-CE 3.16Å
59	T	72.3	Confident	57.1	Low	80 Å²	80	113.9 Å²	113.9	49%	0.491	63%	0.63	S	S	.	*			trans	-68	162.8	177.7	70.6	0	0	0	0	111.2	W61 D62 K63	T59-W61 PolarHBondContact O-N 3.34Å; T59-W61 VanDerWaalsContact O-N 3.13Å; T59-D62 WeakPolarHBondContact CB-OD2 3.32Å; T59-D62 PolarHBondContact N-OD2 3.46Å; T59-D62 PolarHBondContact O-N 3.17Å; T59-D62 PolarHBondContact OG1-N 3.42Å; T59-D62 PolarHBondContact OG1-OD2 3.1Å; T59-K63 PolarHBondContact O-N 3.26Å
60	K	67.9	Low	58.4	Low	162 Å²	162	112.2 Å²	112.2	70%	0.704	61%	0.611	S	S	*	*	H	α-helix	trans	-52.6	-36.7	177.8	-179.5	-179.8	175.9	-177.3	0	111.9	I64	K60-I64 HydrophobicContact CG-CD1 4.12Å; K60-I64 VanDerWaalsContact O-CG1 3.3Å; K60-I64 WeakPolarHBondContact O-CG1 3.42Å; K60-I64 PolarHBondContact O-N 2.97Å
61	W	66.8	Low	59.4	Low	168 Å²	168	110.9 Å²	110.9	64%	0.636	60%	0.602	S	S	*	*	H	α-helix	trans	-72.7	-40.6	178.4	-69	110.7	0	0	0	111.9	T59 K63 I64 F65	T59-W61 PolarHBondContact O-N 3.34Å; T59-W61 VanDerWaalsContact O-N 3.13Å; W61-K63 VanDerWaalsContact C-N 3.25Å; W61-K63 PolarHBondContact O-N 2.94Å; W61-I64 HydrophobicContact CE3-CD1 4.08Å; W61-I64 HydrophobicContact CZ3-CD1 4.23Å; W61-I64 PolarHBondContact O-N 3.44Å; W61-I64 VanDerWaalsContact O-N 3.11Å; W61-F65 WeakPolarHBondContact O-CD2 3.3Å; W61-F65 PolarHBondContact O-N 3.27Å
62	D	69.2	Low	60.4	Low	72 Å²	72	111.8 Å²	111.8	39%	0.385	60%	0.598	S	S	.	*	H	α-helix	trans	-62	-36.6	174.2	-59.6	-43.3	0	0	0	111.8	L58 T59 S66	L58-D62 HydrophobicContact CB-CB 3.89Å; L58-D62 HydrophobicContact CD2-CB 3.92Å; L58-D62 HydrophobicContact CG-CB 4.39Å; T59-D62 WeakPolarHBondContact CB-OD2 3.32Å; T59-D62 PolarHBondContact N-OD2 3.46Å; T59-D62 PolarHBondContact O-N 3.17Å; T59-D62 PolarHBondContact OG1-N 3.42Å; T59-D62 PolarHBondContact OG1-OD2 3.1Å; D62-S66 WeakPolarHBondContact O-CB 3.44Å; D62-S66 PolarHBondContact O-N 3.39Å
63	K	67.5	Low	61.5	Low	104 Å²	104	109.8 Å²	109.8	45%	0.452	58%	0.579	S	S	.	*	H	α-helix	trans	-64.3	-44.9	172.6	-69.6	177.6	-178.6	174.6	0	111.4	L58 T59 W61 S66 M67	L58-K63 HydrophobicContact CB-CG 4.23Å; L58-K63 WeakPolarHBondContact O-CE 3.16Å; T59-K63 PolarHBondContact O-N 3.26Å; W61-K63 VanDerWaalsContact C-N 3.25Å; W61-K63 PolarHBondContact O-N 2.94Å; K63-S66 PolarHBondContact O-N 2.83Å; K63-M67 HydrophobicContact CB-CE 4.19Å; K63-M67 VanDerWaalsContact O-CB 3.29Å; K63-M67 WeakPolarHBondContact O-CB 3.38Å; K63-M67 WeakPolarHBondContact O-CG 3.45Å; K63-M67 PolarHBondContact O-N 2.85Å
64	I	64.8	Low	63.2	Low	46 Å²	46	110.9 Å²	110.9	24%	0.236	57%	0.565	C	S	.	*	H	α-helix	trans	-65.1	-42.2	177.6	-68.9	165.6	0	0	0	111.2	K60 W61 M67 M68	K60-I64 HydrophobicContact CG-CD1 4.12Å; K60-I64 VanDerWaalsContact O-CG1 3.3Å; K60-I64 WeakPolarHBondContact O-CG1 3.42Å; K60-I64 PolarHBondContact O-N 2.97Å; W61-I64 HydrophobicContact CE3-CD1 4.08Å; W61-I64 HydrophobicContact CZ3-CD1 4.23Å; W61-I64 PolarHBondContact O-N 3.44Å; W61-I64 VanDerWaalsContact O-N 3.11Å; I64-M67 PolarHBondContact O-N 3.35Å; I64-M68 HydrophobicContact CG2-CE 4.32Å; I64-M68 HydrophobicContact CG2-CG 4.45Å; I64-M68 HydrophobicContact CG2-SD 4.43Å; I64-M68 WeakPolarHBondContact O-CB 3.24Å; I64-M68 WeakPolarHBondContact O-CG 3.3Å; I64-M68 PolarHBondContact O-N 3.12Å
65	F	64.8	Low	64.1	Low	127 Å²	127	108.9 Å²	108.9	56%	0.557	55%	0.551	S	S	*	*	H	α-helix	trans	-66	-42.9	177.6	-83.7	-71.7	0	0	0	111.8	W61 M67 M68 E69	W61-F65 WeakPolarHBondContact O-CD2 3.3Å; W61-F65 PolarHBondContact O-N 3.27Å; F65-M67 VanDerWaalsContact C-N 3.34Å; F65-M67 PolarHBondContact O-N 3.31Å; F65-M68 HydrophobicContact CD1-CE 3.78Å; F65-M68 HydrophobicContact CE1-CE 3.9Å; F65-M68 HydrophobicContact CG-CE 4.47Å; F65-M68 PolarHBondContact O-N 3.03Å; F65-E69 WeakPolarHBondContact O-CB 3.46Å; F65-E69 PolarHBondContact O-N 3.49Å
66	S	62.5	Low	65.1	Low	69 Å²	69	108.6 Å²	108.6	48%	0.483	54%	0.54	S	S	.	.	H	α-helix	trans	-64.6	-36.9	173.8	-178.9	0	0	0	0	112.5	D62 K63 E69	D62-S66 WeakPolarHBondContact O-CB 3.44Å; D62-S66 PolarHBondContact O-N 3.39Å; K63-S66 PolarHBondContact O-N 2.83Å; S66-E69 PolarHBondContact O-N 2.92Å
67	M	61	Low	65.6	Low	82 Å²	82	107.6 Å²	107.6	40%	0.404	53%	0.527	S	S	.	.	H	α-helix	trans	-66	-39.4	172.8	-75.4	-168.7	-139.2	0	0	112.2	K63 I64 F65 E69 N70 M73	K63-M67 HydrophobicContact CB-CE 4.19Å; K63-M67 VanDerWaalsContact O-CB 3.29Å; K63-M67 WeakPolarHBondContact O-CB 3.38Å; K63-M67 WeakPolarHBondContact O-CG 3.45Å; K63-M67 PolarHBondContact O-N 2.85Å; I64-M67 PolarHBondContact O-N 3.35Å; F65-M67 VanDerWaalsContact C-N 3.34Å; F65-M67 PolarHBondContact O-N 3.31Å; M67-E69 VanDerWaalsContact C-N 3.33Å; M67-N70 PolarHBondContact O-N 3.32Å; M67-M73 HydrophobicContact CB-CG 4.42Å; M67-M73 HydrophobicContact CB-SD 3.41Å; M67-M73 WeakPolarHBondContact CB-SD 3.39Å; M67-M73 HydrophobicContact CG-CE 4.26Å; M67-M73 HydrophobicContact CG-SD 3.2Å; M67-M73 WeakPolarHBondContact CG-SD 3.49Å; M67-M73 WeakPolarHBondContact O-CB 3.44Å; M67-M73 HydrophobicContact SD-SD 3.5Å
68	M	58.6	Low	66.3	Low	70 Å²	70	104.9 Å²	104.9	35%	0.345	51%	0.512	S	S	.	.	H	α-helix	trans	-76.4	-18.5	178.5	-74.3	-166.5	-46.9	0	0	114.1	I64 F65 N70 M77	I64-M68 HydrophobicContact CG2-CE 4.32Å; I64-M68 HydrophobicContact CG2-CG 4.45Å; I64-M68 HydrophobicContact CG2-SD 4.43Å; I64-M68 WeakPolarHBondContact O-CB 3.24Å; I64-M68 WeakPolarHBondContact O-CG 3.3Å; I64-M68 PolarHBondContact O-N 3.12Å; F65-M68 HydrophobicContact CD1-CE 3.78Å; F65-M68 HydrophobicContact CE1-CE 3.9Å; F65-M68 HydrophobicContact CG-CE 4.47Å; F65-M68 PolarHBondContact O-N 3.03Å; M68-N70 VanDerWaalsContact C-N 3.3Å; M68-M77 HydrophobicContact CG-CE 3.87Å
69	E	62.8	Low	66.5	Low	168 Å²	168	105.4 Å²	105.4	79%	0.785	52%	0.515	S	S	*	.	H	α-helix	trans	-74.2	-25.6	174.1	-163.9	169.2	-158.5	0	0	111.4	F65 S66 M67 S71	F65-E69 WeakPolarHBondContact O-CB 3.46Å; F65-E69 PolarHBondContact O-N 3.49Å; S66-E69 PolarHBondContact O-N 2.92Å; M67-E69 VanDerWaalsContact C-N 3.33Å; E69-S71 PolarHBondContact O-N 2.97Å
70	N	66.4	Low	66.5	Low	83 Å²	83	107.8 Å²	107.8	44%	0.444	52%	0.52	S	S	.	.	S	Bend	trans	-82.2	114.4	171.5	-166.7	-22.5	0	0	0	110.8	M67 M68 Q72 M73 R74	M67-N70 PolarHBondContact O-N 3.32Å; M68-N70 VanDerWaalsContact C-N 3.3Å; N70-Q72 VanDerWaalsContact C-N 3.31Å; N70-Q72 PolarHBondContact O-N 2.89Å; N70-M73 HydrophobicContact CB-CB 4.39Å; N70-M73 PolarHBondContact O-N 2.9Å; N70-M73 VanDerWaalsContact O-N 3.12Å; N70-R74 PolarHBondContact O-N 3.09Å; N70-R74 VanDerWaalsContact O-N 3.11Å
71	S	59.2	Low	66.5	Low	88 Å²	88	107.9 Å²	107.9	62%	0.615	52%	0.518	S	S	*	.	H	α-helix	trans	-56.7	-39.8	-173	58.1	0	0	0	0	113.6	E69 M73 R74 E75	E69-S71 PolarHBondContact O-N 2.97Å; S71-M73 PolarHBondContact O-N 3.38Å; S71-R74 PolarHBondContact O-N 2.99Å; S71-E75 PolarHBondContact O-N 3.35Å; S71-E75 VanDerWaalsContact O-N 3.09Å
72	Q	61.4	Low	66.3	Low	142 Å²	142	104 Å²	104	66%	0.664	51%	0.512	S	S	*	.	H	α-helix	trans	-69	-33.5	-179.4	-71	-165.4	-18.7	0	0	112.9	N70 N76	N70-Q72 VanDerWaalsContact C-N 3.31Å; N70-Q72 PolarHBondContact O-N 2.89Å; Q72-N76 PolarHBondContact O-N 3.4Å; Q72-N76 PolarHBondContact O-ND2 2.89Å
73	M	70	Confident	66.1	Low	82 Å²	82	105.1 Å²	105.1	40%	0.404	52%	0.518	S	S	.	.	H	α-helix	trans	-80.2	-32.1	-179.4	-159.7	-179.7	-60.1	0	0	111.5	M67 N70 S71 M77	M67-M73 HydrophobicContact CB-CG 4.42Å; M67-M73 HydrophobicContact CB-SD 3.41Å; M67-M73 WeakPolarHBondContact CB-SD 3.39Å; M67-M73 HydrophobicContact CG-CE 4.26Å; M67-M73 HydrophobicContact CG-SD 3.2Å; M67-M73 WeakPolarHBondContact CG-SD 3.49Å; M67-M73 WeakPolarHBondContact O-CB 3.44Å; M67-M73 HydrophobicContact SD-SD 3.5Å; N70-M73 HydrophobicContact CB-CB 4.39Å; N70-M73 PolarHBondContact O-N 2.9Å; N70-M73 VanDerWaalsContact O-N 3.12Å; S71-M73 PolarHBondContact O-N 3.38Å; M73-M77 WeakPolarHBondContact O-CB 3.32Å; M73-M77 PolarHBondContact O-N 2.77Å
74	R	71.3	Confident	66.1	Low	149 Å²	149	104.1 Å²	104.1	56%	0.562	52%	0.518	S	S	*	.	H	α-helix	trans	-63.3	-43.5	170.7	-175.2	179.5	-179.4	174.3	0.1	112.3	N70 S71 M77 L78	N70-R74 PolarHBondContact O-N 3.09Å; N70-R74 VanDerWaalsContact O-N 3.11Å; S71-R74 PolarHBondContact O-N 2.99Å; R74-M77 PolarHBondContact O-N 2.93Å; R74-L78 HydrophobicContact CG-CD1 4.24Å; R74-L78 WeakPolarHBondContact O-CG 3.4Å; R74-L78 PolarHBondContact O-N 3.08Å
75	E	71.7	Confident	66.2	Low	123 Å²	123	106.2 Å²	106.2	58%	0.575	53%	0.529	S	S	*	.	H	α-helix	trans	-64.4	-46.7	178.7	-171.1	172.5	-174.1	0	0	111.6	S71 M77 L78 L79	S71-E75 PolarHBondContact O-N 3.35Å; S71-E75 VanDerWaalsContact O-N 3.09Å; E75-M77 VanDerWaalsContact C-N 3.32Å; E75-M77 PolarHBondContact O-N 2.94Å; E75-L78 PolarHBondContact O-N 3.42Å; E75-L79 HydrophobicContact CG-CD1 4.21Å; E75-L79 WeakPolarHBondContact O-CB 3.44Å; E75-L79 WeakPolarHBondContact O-CG 3.15Å; E75-L79 PolarHBondContact O-N 3.43Å
76	N	71.7	Confident	66.1	Low	105 Å²	105	103.6 Å²	103.6	56%	0.561	52%	0.523	S	S	*	.	H	α-helix	trans	-61.9	-38.2	176	-77.1	-25.1	0	0	0	112.8	Q72 L79 Q80	Q72-N76 PolarHBondContact O-N 3.4Å; Q72-N76 PolarHBondContact O-ND2 2.89Å; N76-L79 PolarHBondContact O-N 2.87Å; N76-Q80 WeakPolarHBondContact O-CB 3.36Å; N76-Q80 PolarHBondContact O-N 3.1Å
77	M	70.2	Confident	66.2	Low	86 Å²	86	107 Å²	107	42%	0.424	53%	0.529	S	S	.	.	H	α-helix	trans	-67.9	-39	177.3	-159.7	-154.6	-52.6	0	0	112	M68 M73 R74 E75 Q80 Y81	M68-M77 HydrophobicContact CG-CE 3.87Å; M73-M77 WeakPolarHBondContact O-CB 3.32Å; M73-M77 PolarHBondContact O-N 2.77Å; R74-M77 PolarHBondContact O-N 2.93Å; E75-M77 VanDerWaalsContact C-N 3.32Å; E75-M77 PolarHBondContact O-N 2.94Å; M77-Q80 PolarHBondContact O-N 3.28Å; M77-Y81 PolarHBondContact O-N 3.08Å
78	L	69.3	Low	66.7	Low	104 Å²	104	107.6 Å²	107.6	55%	0.545	54%	0.537	S	S	.	.	H	α-helix	trans	-67.2	-42.6	175.5	-79.5	166.3	0	0	0	111.8	R74 E75 Q80 Y81 V82	R74-L78 HydrophobicContact CG-CD1 4.24Å; R74-L78 WeakPolarHBondContact O-CG 3.4Å; R74-L78 PolarHBondContact O-N 3.08Å; E75-L78 PolarHBondContact O-N 3.42Å; L78-Q80 VanDerWaalsContact C-N 3.32Å; L78-Q80 PolarHBondContact O-N 3.23Å; L78-Y81 PolarHBondContact O-N 2.86Å; L78-V82 WeakPolarHBondContact O-CG2 3.38Å; L78-V82 PolarHBondContact O-N 3.25Å
79	L	66.3	Low	67	Low	104 Å²	104	110.6 Å²	110.6	55%	0.545	55%	0.55	S	S	.	.	H	α-helix	trans	-60.3	-42.6	175.8	-76.7	170.1	0	0	0	111.6	E75 N76 V82 D83	E75-L79 HydrophobicContact CG-CD1 4.21Å; E75-L79 WeakPolarHBondContact O-CB 3.44Å; E75-L79 WeakPolarHBondContact O-CG 3.15Å; E75-L79 PolarHBondContact O-N 3.43Å; N76-L79 PolarHBondContact O-N 2.87Å; L79-V82 PolarHBondContact O-N 3.35Å; L79-D83 WeakPolarHBondContact O-CB 3.42Å; L79-D83 PolarHBondContact O-N 3Å
80	Q	72.8	Confident	66.7	Low	129 Å²	129	107.9 Å²	107.9	60%	0.603	54%	0.539	S	S	*	.	H	α-helix	trans	-66.1	-39	177.8	-166.3	165.7	2.4	0	0	112.1	N76 M77 L78 D83 D84	N76-Q80 WeakPolarHBondContact O-CB 3.36Å; N76-Q80 PolarHBondContact O-N 3.1Å; M77-Q80 PolarHBondContact O-N 3.28Å; L78-Q80 VanDerWaalsContact C-N 3.32Å; L78-Q80 PolarHBondContact O-N 3.23Å; Q80-D83 PolarHBondContact O-N 3.4Å; Q80-D84 WeakPolarHBondContact O-CB 3.38Å; Q80-D84 PolarHBondContact O-N 2.94Å
81	Y	67.8	Low	66.4	Low	165 Å²	165	105.9 Å²	105.9	65%	0.647	54%	0.537	S	S	*	.	H	α-helix	trans	-67.8	-36.8	176.7	-144.6	-90.3	0	0	0	112.5	M77 L78 I85	M77-Y81 PolarHBondContact O-N 3.08Å; L78-Y81 PolarHBondContact O-N 2.86Å; Y81-I85 HydrophobicContact CD1-CD1 3.61Å; Y81-I85 HydrophobicContact CD1-CG1 4.33Å; Y81-I85 HydrophobicContact CE1-CD1 3.78Å; Y81-I85 HydrophobicContact CE1-CG1 4.48Å; Y81-I85 VanDerWaalsContact O-CG1 3.29Å; Y81-I85 WeakPolarHBondContact O-CG1 3.45Å; Y81-I85 PolarHBondContact O-N 3.11Å; Y81-I85 VanDerWaalsContact O-N 3.13Å
82	V	62.3	Low	67	Low	87 Å²	87	105.3 Å²	105.3	53%	0.527	53%	0.53	S	S	.	.	H	α-helix	trans	-69.7	-43.1	175	172.2	0	0	0	0	110.8	L78 L79 D84 I85 V86	L78-V82 WeakPolarHBondContact O-CG2 3.38Å; L78-V82 PolarHBondContact O-N 3.25Å; L79-V82 PolarHBondContact O-N 3.35Å; V82-D84 PolarHBondContact O-N 3.24Å; V82-I85 PolarHBondContact O-N 3.25Å; V82-V86 HydrophobicContact CG1-CG2 4.15Å; V82-V86 WeakPolarHBondContact O-CB 3.33Å; V82-V86 WeakPolarHBondContact O-CG2 2.92Å; V82-V86 PolarHBondContact O-N 3.25Å
83	D	65.3	Low	66.9	Low	94 Å²	94	104.4 Å²	104.4	50%	0.503	53%	0.53	S	S	.	.	H	α-helix	trans	-59.9	-45.7	176.2	-169.7	64.8	0	0	0	111.2	L79 Q80 I85 V86 K87	L79-D83 WeakPolarHBondContact O-CB 3.42Å; L79-D83 PolarHBondContact O-N 3Å; Q80-D83 PolarHBondContact O-N 3.4Å; D83-I85 PolarHBondContact O-N 3.37Å; D83-V86 PolarHBondContact O-N 2.99Å; D83-K87 WeakPolarHBondContact O-CB 3.4Å; D83-K87 PolarHBondContact O-N 3.3Å
84	D	68.8	Low	66.4	Low	83 Å²	83	108 Å²	108	44%	0.444	54%	0.539	S	S	.	.	H	α-helix	trans	-63.7	-42.6	179.3	-76.2	-24.2	0	0	0	112.3	Q80 V82 V88	Q80-D84 WeakPolarHBondContact O-CB 3.38Å; Q80-D84 PolarHBondContact O-N 2.94Å; V82-D84 PolarHBondContact O-N 3.24Å; D84-V88 VanDerWaalsContact O-CG2 3.24Å; D84-V88 WeakPolarHBondContact O-CG2 2.93Å; D84-V88 PolarHBondContact O-N 3.18Å; D84-V88 VanDerWaalsContact O-N 3.12Å
85	I	65.9	Low	66.1	Low	91 Å²	91	101.9 Å²	101.9	47%	0.467	52%	0.522	S	S	.	.	H	α-helix	trans	-65.5	-49.4	176.6	-70.3	169.9	0	0	0	110.9	Y81 V82 D83 K87 V88 E89	Y81-I85 HydrophobicContact CD1-CD1 3.61Å; Y81-I85 HydrophobicContact CD1-CG1 4.33Å; Y81-I85 HydrophobicContact CE1-CD1 3.78Å; Y81-I85 HydrophobicContact CE1-CG1 4.48Å; Y81-I85 VanDerWaalsContact O-CG1 3.29Å; Y81-I85 WeakPolarHBondContact O-CG1 3.45Å; Y81-I85 PolarHBondContact O-N 3.11Å; Y81-I85 VanDerWaalsContact O-N 3.13Å; V82-I85 PolarHBondContact O-N 3.25Å; D83-I85 PolarHBondContact O-N 3.37Å; I85-K87 VanDerWaalsContact C-N 3.28Å; I85-K87 PolarHBondContact O-N 3.12Å; I85-V88 PolarHBondContact O-N 3.38Å; I85-E89 HydrophobicContact CG2-CG 4.33Å; I85-E89 WeakPolarHBondContact O-CB 3.44Å; I85-E89 WeakPolarHBondContact O-CG 3.2Å; I85-E89 PolarHBondContact O-N 3.2Å
86	V	62.3	Low	65.8	Low	71 Å²	71	99.8 Å²	99.8	43%	0.43	51%	0.514	S	S	.	.	H	α-helix	trans	-62.2	-39.7	-178.2	170.9	0	0	0	0	110.6	V82 D83 M90	V82-V86 HydrophobicContact CG1-CG2 4.15Å; V82-V86 WeakPolarHBondContact O-CB 3.33Å; V82-V86 WeakPolarHBondContact O-CG2 2.92Å; V82-V86 PolarHBondContact O-N 3.25Å; D83-V86 PolarHBondContact O-N 2.99Å; V86-M90 HydrophobicContact CG1-CG 4.17Å; V86-M90 HydrophobicContact CG1-SD 3.93Å; V86-M90 VanDerWaalsContact O-CB 3.22Å; V86-M90 WeakPolarHBondContact O-CB 3.41Å; V86-M90 WeakPolarHBondContact O-CG 3.14Å; V86-M90 PolarHBondContact O-N 2.86Å
87	K	64.6	Low	65.1	Low	141 Å²	141	99.5 Å²	99.5	61%	0.613	51%	0.513	S	S	*	.	H	α-helix	trans	-67.1	-38.1	179.2	-170.6	175.3	-174.4	174.6	0	112.7	D83 I85 G91	D83-K87 WeakPolarHBondContact O-CB 3.4Å; D83-K87 PolarHBondContact O-N 3.3Å; I85-K87 VanDerWaalsContact C-N 3.28Å; I85-K87 PolarHBondContact O-N 3.12Å; K87-G91 PolarHBondContact O-N 2.81Å
88	V	72.8	Confident	64.4	Low	95 Å²	95	101.2 Å²	101.2	58%	0.576	52%	0.52	S	S	*	.	H	α-helix	trans	-70.9	-45.8	176.3	172	0	0	0	0	111.3	D84 I85 G91 T92	D84-V88 VanDerWaalsContact O-CG2 3.24Å; D84-V88 WeakPolarHBondContact O-CG2 2.93Å; D84-V88 PolarHBondContact O-N 3.18Å; D84-V88 VanDerWaalsContact O-N 3.12Å; I85-V88 PolarHBondContact O-N 3.38Å; V88-G91 PolarHBondContact O-N 3.36Å; V88-T92 WeakPolarHBondContact O-CB 3.31Å; V88-T92 PolarHBondContact O-N 3.01Å; V88-T92 PolarHBondContact O-OG1 3.34Å
89	E	64.4	Low	64.2	Low	132 Å²	132	103 Å²	103	62%	0.617	52%	0.519	S	S	*	.	H	α-helix	trans	-65	-46.4	178.2	-73.2	-74	154.5	0	0	111.5	I85 G91 T92 L93	I85-E89 HydrophobicContact CG2-CG 4.33Å; I85-E89 WeakPolarHBondContact O-CB 3.44Å; I85-E89 WeakPolarHBondContact O-CG 3.2Å; I85-E89 PolarHBondContact O-N 3.2Å; E89-G91 VanDerWaalsContact C-N 3.33Å; E89-G91 PolarHBondContact O-N 3Å; E89-T92 PolarHBondContact O-N 1.99Å; E89-L93 WeakPolarHBondContact O-CB 3.43Å; E89-L93 PolarHBondContact O-N 3.17Å
90	M	56.7	Low	64	Low	112 Å²	112	103.7 Å²	103.7	55%	0.552	52%	0.518	S	S	*	.	H	α-helix	trans	-66.1	-34.7	175.2	-75.6	-170.6	103.6	0	0	112.5	V86 R94	V86-M90 HydrophobicContact CG1-CG 4.17Å; V86-M90 HydrophobicContact CG1-SD 3.93Å; V86-M90 VanDerWaalsContact O-CB 3.22Å; V86-M90 WeakPolarHBondContact O-CB 3.41Å; V86-M90 WeakPolarHBondContact O-CG 3.14Å; V86-M90 PolarHBondContact O-N 2.86Å; M90-R94 WeakPolarHBondContact O-CB 3.43Å; M90-R94 PolarHBondContact O-N 3.41Å
91	G	59.7	Low	63.3	Low	40 Å²	40	102 Å²	102	41%	0.412	51%	0.512	S	S	.	.	H	α-helix	trans	-63.7	-42.2	174.5	0	0	0	0	0	111.8	K87 V88 E89 G95	K87-G91 PolarHBondContact O-N 2.81Å; V88-G91 PolarHBondContact O-N 3.36Å; E89-G91 VanDerWaalsContact C-N 3.33Å; E89-G91 PolarHBondContact O-N 3Å; G91-G95 PolarHBondContact O-N 3.44Å
92	T	71.4	Confident	62.8	Low	76 Å²	76	95.6 Å²	95.6	47%	0.466	49%	0.493	S	S	.	.	H	α-helix	trans	-68.4	-47.8	177.9	-52.6	0	0	0	0	111.1	V88 E89 R94 G95 D96	V88-T92 WeakPolarHBondContact O-CB 3.31Å; V88-T92 PolarHBondContact O-N 3.01Å; V88-T92 PolarHBondContact O-OG1 3.34Å; E89-T92 PolarHBondContact O-N 1.99Å; T92-R94 VanDerWaalsContact C-N 3.31Å; T92-R94 PolarHBondContact O-N 2.98Å; T92-G95 PolarHBondContact O-N 3.5Å; T92-G95 VanDerWaalsContact O-N 3.09Å; T92-D96 PolarHBondContact O-N 3.07Å
93	L	58.8	Low	62.6	Low	124 Å²	124	95.8 Å²	95.8	65%	0.649	49%	0.488	S	S	*	.	H	α-helix	trans	-59.5	-40.7	176.2	-171.4	73.8	0	0	0	112.1	E89 D96 L97	E89-L93 WeakPolarHBondContact O-CB 3.43Å; E89-L93 PolarHBondContact O-N 3.17Å; L93-D96 PolarHBondContact O-N 2.86Å; L93-L97 WeakPolarHBondContact O-CB 3.44Å; L93-L97 PolarHBondContact O-N 3.34Å
94	R	60.6	Low	62.2	Low	157 Å²	157	96 Å²	96	59%	0.592	48%	0.483	S	S	*	.	H	α-helix	trans	-64	-42.3	174.8	-177.4	-175	-56.9	-100.1	-1.7	111.5	M90 T92 D96 L97 Q98	M90-R94 WeakPolarHBondContact O-CB 3.43Å; M90-R94 PolarHBondContact O-N 3.41Å; T92-R94 VanDerWaalsContact C-N 3.31Å; T92-R94 PolarHBondContact O-N 2.98Å; R94-D96 VanDerWaalsContact C-N 3.34Å; R94-L97 PolarHBondContact O-N 2.84Å; R94-Q98 WeakPolarHBondContact O-CB 3.35Å; R94-Q98 VanDerWaalsContact O-CG 3.3Å; R94-Q98 WeakPolarHBondContact O-CG 3.45Å; R94-Q98 PolarHBondContact O-N 2.87Å
95	G	65.2	Low	61.5	Low	20 Å²	20	98.7 Å²	98.7	21%	0.206	49%	0.493	C	S	.	.	H	α-helix	trans	-62.3	-41	175.7	0	0	0	0	0	112.3	G91 T92 Q98 R99	G91-G95 PolarHBondContact O-N 3.44Å; T92-G95 PolarHBondContact O-N 3.5Å; T92-G95 VanDerWaalsContact O-N 3.09Å; G95-Q98 PolarHBondContact O-N 3.11Å; G95-R99 WeakPolarHBondContact O-CB 3.39Å; G95-R99 PolarHBondContact O-N 2.93Å
96	D	65.1	Low	61.1	Low	79 Å²	79	103.3 Å²	103.3	42%	0.422	50%	0.504	S	S	.	.	H	α-helix	trans	-69	-39.8	176.9	-69.5	-14.3	0	0	0	112	T92 L93 R94 R99 F100	T92-D96 PolarHBondContact O-N 3.07Å; L93-D96 PolarHBondContact O-N 2.86Å; R94-D96 VanDerWaalsContact C-N 3.34Å; D96-R99 PolarHBondContact O-N 3.37Å; D96-R99 IonicContact OD1-CZ 2.61Å; D96-R99 IonicContact OD1-NH1 2.97Å; D96-R99 PolarHBondContact OD1-NH1 3.33Å; D96-R99 IonicContact OD1-NH2 3.84Å; D96-F100 WeakPolarHBondContact O-CB 3.2Å; D96-F100 PolarHBondContact O-N 2.96Å
97	L	56.9	Low	60.9	Low	100 Å²	100	104.3 Å²	104.3	52%	0.524	51%	0.514	S	S	.	.	H	α-helix	trans	-64.7	-41.2	174.7	-174.9	65.7	0	0	0	112.1	L93 R94 R99 F100 I101	L93-L97 WeakPolarHBondContact O-CB 3.44Å; L93-L97 PolarHBondContact O-N 3.34Å; R94-L97 PolarHBondContact O-N 2.84Å; L97-R99 VanDerWaalsContact C-N 3.33Å; L97-F100 HydrophobicContact CD1-CD1 4.41Å; L97-F100 WeakPolarHBondContact O-CB 3.29Å; L97-F100 PolarHBondContact O-N 3.48Å; L97-I101 HydrophobicContact CG-CD1 4.25Å; L97-I101 VanDerWaalsContact O-CG1 3.3Å; L97-I101 WeakPolarHBondContact O-CG1 3.45Å; L97-I101 PolarHBondContact O-N 3.47Å
98	Q	56.3	Low	60.7	Low	122 Å²	122	98 Å²	98	57%	0.57	49%	0.488	S	S	*	.	H	α-helix	trans	-65.6	-38.3	175.6	-75.5	176.2	-18	0	0	111.8	R94 G95 I101 A102	R94-Q98 WeakPolarHBondContact O-CB 3.35Å; R94-Q98 VanDerWaalsContact O-CG 3.3Å; R94-Q98 WeakPolarHBondContact O-CG 3.45Å; R94-Q98 PolarHBondContact O-N 2.87Å; G95-Q98 PolarHBondContact O-N 3.11Å; Q98-I101 PolarHBondContact O-N 3.35Å; Q98-A102 WeakPolarHBondContact O-CB 3.42Å; Q98-A102 PolarHBondContact O-N 3.43Å
99	R	64.6	Low	60.2	Low	142 Å²	142	94.7 Å²	94.7	54%	0.536	47%	0.473	S	S	.	.	H	α-helix	trans	-67.2	-38.1	175.2	-144.3	176.8	-60.2	107.7	2.2	111.4	G95 D96 L97 A102 E103	G95-R99 WeakPolarHBondContact O-CB 3.39Å; G95-R99 PolarHBondContact O-N 2.93Å; D96-R99 PolarHBondContact O-N 3.37Å; D96-R99 IonicContact OD1-CZ 2.61Å; D96-R99 IonicContact OD1-NH1 2.97Å; D96-R99 PolarHBondContact OD1-NH1 3.33Å; D96-R99 IonicContact OD1-NH2 3.84Å; L97-R99 VanDerWaalsContact C-N 3.33Å; R99-A102 PolarHBondContact O-N 3.43Å; R99-E103 PolarHBondContact O-N 2.9Å; R99-E103 VanDerWaalsContact O-N 3.09Å
100	F	60.8	Low	60.1	Low	117 Å²	117	90.5 Å²	90.5	51%	0.513	46%	0.461	S	S	.	.	H	α-helix	trans	-59.1	-49.2	172.8	173.4	-94.3	0	0	0	111.9	D96 L97 A102 E103 Y104	D96-F100 WeakPolarHBondContact O-CB 3.2Å; D96-F100 PolarHBondContact O-N 2.96Å; L97-F100 HydrophobicContact CD1-CD1 4.41Å; L97-F100 WeakPolarHBondContact O-CB 3.29Å; L97-F100 PolarHBondContact O-N 3.48Å; F100-A102 PolarHBondContact O-N 2.92Å; F100-E103 PolarHBondContact O-N 2.87Å; F100-Y104 WeakPolarHBondContact O-CB 3.33Å; F100-Y104 PolarHBondContact O-N 3.42Å
101	I	58.3	Low	60.4	Low	93 Å²	93	88 Å²	88	48%	0.477	46%	0.457	S	S	.	.	H	α-helix	trans	-61.2	-47.5	178.4	-67.5	165	0	0	0	110.6	L97 Q98 E103 Y104 E105	L97-I101 HydrophobicContact CG-CD1 4.25Å; L97-I101 VanDerWaalsContact O-CG1 3.3Å; L97-I101 WeakPolarHBondContact O-CG1 3.45Å; L97-I101 PolarHBondContact O-N 3.47Å; Q98-I101 PolarHBondContact O-N 3.35Å; I101-E103 VanDerWaalsContact C-N 3.28Å; I101-E103 PolarHBondContact O-N 3.37Å; I101-Y104 PolarHBondContact O-N 2.92Å; I101-E105 PolarHBondContact O-N 3.13Å; I101-E105 VanDerWaalsContact O-N 3.11Å
102	A	58.6	Low	60.6	Low	31 Å²	31	87.9 Å²	87.9	26%	0.256	45%	0.449	S	S	.	.	H	α-helix	trans	-67.2	-24.7	-177.4	0	0	0	0	0	114	Q98 R99 F100 R106	Q98-A102 WeakPolarHBondContact O-CB 3.42Å; Q98-A102 PolarHBondContact O-N 3.43Å; R99-A102 PolarHBondContact O-N 3.43Å; F100-A102 PolarHBondContact O-N 2.92Å; A102-R106 WeakPolarHBondContact O-CG 3.22Å; A102-R106 PolarHBondContact O-NH1 3.28Å
103	E	56.8	Low	60.2	Low	91 Å²	91	89 Å²	89	43%	0.425	45%	0.449	S	S	.	.	H	α-helix	trans	-88.3	-30.3	174.6	-76.8	-175.9	171.8	0	0	113.1	R99 F100 I101 R106 S107 R178	R99-E103 PolarHBondContact O-N 2.9Å; R99-E103 VanDerWaalsContact O-N 3.09Å; F100-E103 PolarHBondContact O-N 2.87Å; I101-E103 VanDerWaalsContact C-N 3.28Å; I101-E103 PolarHBondContact O-N 3.37Å; E103-R106 PolarHBondContact O-N 3.39Å; E103-S107 PolarHBondContact O-N 2.83Å; E103-R178 IonicContact OE2-CZ 3.6Å; E103-R178 IonicContact OE2-NH1 3.81Å; E103-R178 IonicContact OE2-NH2 3.56Å; E103-R178 PolarHBondContact OE2-NH2 2.84Å
104	Y	56.7	Low	60.6	Low	100 Å²	100	86.3 Å²	86.3	39%	0.392	44%	0.438	S	S	.	.	H	α-helix	trans	-62.9	-44.1	173.7	-179.9	-100.7	0	0	0	111.4	F100 I101 R106 C108 G109 L175	F100-Y104 WeakPolarHBondContact O-CB 3.33Å; F100-Y104 PolarHBondContact O-N 3.42Å; I101-Y104 PolarHBondContact O-N 2.92Å; Y104-R106 VanDerWaalsContact C-N 3.28Å; Y104-R106 PolarHBondContact O-N 3.49Å; Y104-C108 HydrophobicContact CD2-CB 4.21Å; Y104-C108 HydrophobicContact CE2-CB 4.18Å; Y104-C108 PolarHBondContact O-N 3.47Å; Y104-G109 PolarHBondContact O-N 2.96Å; Y104-L175 HydrophobicContact CE2-CD2 4.1Å
105	E	55.6	Low	60.9	Low	139 Å²	139	79.8 Å²	79.8	65%	0.65	42%	0.418	S	S	*	.	I	π-helix	trans	-61	-33.8	178.5	-161.6	175.3	-175.1	0	0	112.6	I101	I101-E105 PolarHBondContact O-N 3.13Å; I101-E105 VanDerWaalsContact O-N 3.11Å
106	R	57.4	Low	60.7	Low	188 Å²	188	79.5 Å²	79.5	71%	0.709	42%	0.415	S	S	*	.	I	π-helix	trans	-84.9	-31.4	-173.4	-73.3	-174.8	-173.3	102.5	-3	116.1	A102 E103 Y104	A102-R106 WeakPolarHBondContact O-CG 3.22Å; A102-R106 PolarHBondContact O-NH1 3.28Å; E103-R106 PolarHBondContact O-N 3.39Å; Y104-R106 VanDerWaalsContact C-N 3.28Å; Y104-R106 PolarHBondContact O-N 3.49Å
107	S	56.7	Low	60.6	Low	91 Å²	91	80.6 Å²	80.6	64%	0.636	41%	0.413	S	S	*	.	I	π-helix	trans	-113.5	-32.4	-172.6	-176.1	0	0	0	0	113.9	E103	E103-S107 PolarHBondContact O-N 2.83Å
108	C	60.8	Low	61.2	Low	9 Å²	9	83.9 Å²	83.9	6%	0.061	42%	0.418	C	S	.	.	I	π-helix	trans	-99.4	-45.7	-175.6	-171.9	0	0	0	0	111.2	Y104 A110 A111 V112 C174	Y104-C108 HydrophobicContact CD2-CB 4.21Å; Y104-C108 HydrophobicContact CE2-CB 4.18Å; Y104-C108 PolarHBondContact O-N 3.47Å; C108-A110 PolarHBondContact O-N 3.08Å; C108-A111 PolarHBondContact O-N 3.46Å; C108-V112 WeakPolarHBondContact O-CG2 3.29Å; C108-V112 PolarHBondContact O-N 3.06Å; C108-C174 VanDerWaalsContact CA-SG 3.53Å; C108-C174 HydrophobicContact CB-CB 4.41Å; C108-C174 WeakPolarHBondContact CB-SG 3.15Å; C108-C174 WeakPolarHBondContact SG-CB 3.08Å; C108-C174 CovalentContact SG-SG 1.99Å; C108-C174 PolarHBondContact SG-SG 2.96Å
109	G	62	Low	61.5	Low	25 Å²	25	79.4 Å²	79.4	26%	0.258	40%	0.398	S	S	.	.	I	π-helix	trans	-54.2	-56.2	179.7	0	0	0	0	0	112.2	Y104 A111 V112 E113	Y104-G109 PolarHBondContact O-N 2.96Å; G109-A111 VanDerWaalsContact C-N 3.31Å; G109-A111 PolarHBondContact O-N 3.45Å; G109-V112 PolarHBondContact O-N 3.49Å; G109-E113 WeakPolarHBondContact O-CB 3.2Å; G109-E113 PolarHBondContact O-N 3.32Å
110	A	62.8	Low	61.4	Low	44 Å²	44	75.9 Å²	75.9	36%	0.364	39%	0.392	S	S	.	.	H	α-helix	trans	-60.2	-35.7	-179.3	0	0	0	0	0	113.9	C108 T114	C108-A110 PolarHBondContact O-N 3.08Å; A110-T114 VanDerWaalsContact O-CB 3.28Å; A110-T114 WeakPolarHBondContact O-CB 3.45Å; A110-T114 PolarHBondContact O-N 3.01Å; A110-T114 PolarHBondContact O-OG1 3.36Å
111	A	62.8	Low	61.8	Low	59 Å²	59	75.6 Å²	75.6	49%	0.488	40%	0.395	S	S	.	.	H	α-helix	trans	-74.9	-43.1	-178.7	0	0	0	0	0	112.3	C108 G109 A115	C108-A111 PolarHBondContact O-N 3.46Å; G109-A111 VanDerWaalsContact C-N 3.31Å; G109-A111 PolarHBondContact O-N 3.45Å; A111-A115 WeakPolarHBondContact O-CB 3.34Å; A111-A115 PolarHBondContact O-N 2.98Å
112	V	64.5	Low	62.1	Low	38 Å²	38	77.5 Å²	77.5	23%	0.23	40%	0.402	C	S	.	.	H	α-helix	trans	-66.1	-41.7	175.1	173.8	0	0	0	0	110.1	C108 G109 A115 G116 L167	C108-V112 WeakPolarHBondContact O-CG2 3.29Å; C108-V112 PolarHBondContact O-N 3.06Å; G109-V112 PolarHBondContact O-N 3.49Å; V112-A115 PolarHBondContact O-N 3.11Å; V112-G116 PolarHBondContact O-N 3.4Å; V112-L167 HydrophobicContact CG1-CD2 4.21Å
113	E	62.5	Low	62.3	Low	100 Å²	100	78.5 Å²	78.5	47%	0.467	40%	0.403	S	S	.	.	H	α-helix	trans	-63.7	-46.4	176.8	-169.3	-173.4	164.6	0	0	111.7	G109 A115 G116 R117	G109-E113 WeakPolarHBondContact O-CB 3.2Å; G109-E113 PolarHBondContact O-N 3.32Å; E113-A115 VanDerWaalsContact C-N 3.32Å; E113-A115 PolarHBondContact O-N 3.45Å; E113-G116 PolarHBondContact O-N 3.07Å; E113-R117 WeakPolarHBondContact O-CG 3.46Å; E113-R117 PolarHBondContact O-N 2.89Å; E113-R117 IonicContact OE1-CZ 3.42Å; E113-R117 IonicContact OE1-NE 3.02Å; E113-R117 PolarHBondContact OE1-NE 3.39Å; E113-R117 IonicContact OE1-NH2 3.67Å; E113-R117 PolarHBondContact OE1-NH2 3.38Å
114	T	67.4	Low	62.4	Low	67 Å²	67	77.6 Å²	77.6	41%	0.411	40%	0.398	S	S	.	.	H	α-helix	trans	-64.4	-37.3	177.4	-53.5	0	0	0	0	111.9	A110 R118	A110-T114 VanDerWaalsContact O-CB 3.28Å; A110-T114 WeakPolarHBondContact O-CB 3.45Å; A110-T114 PolarHBondContact O-N 3.01Å; A110-T114 PolarHBondContact O-OG1 3.36Å; T114-R118 PolarHBondContact O-N 2.9Å
115	A	67.1	Low	62.9	Low	21 Å²	21	75.7 Å²	75.7	17%	0.174	40%	0.4	C	S	.	.	H	α-helix	trans	-67.7	-42.5	174.6	0	0	0	0	0	111.6	A111 V112 E113 R118 M119 L170	A111-A115 WeakPolarHBondContact O-CB 3.34Å; A111-A115 PolarHBondContact O-N 2.98Å; V112-A115 PolarHBondContact O-N 3.11Å; E113-A115 VanDerWaalsContact C-N 3.32Å; E113-A115 PolarHBondContact O-N 3.45Å; A115-R118 PolarHBondContact O-N 3.25Å; A115-M119 WeakPolarHBondContact O-CG 3.39Å; A115-M119 PolarHBondContact O-N 3.15Å; A115-L170 HydrophobicContact CB-CD1 4.04Å
116	G	61.7	Low	63.1	Low	14 Å²	14	71.9 Å²	71.9	14%	0.144	38%	0.382	C	S	.	.	H	α-helix	trans	-58.2	-49.6	174.1	0	0	0	0	0	111.9	V112 E113 R118 M119 V120	V112-G116 PolarHBondContact O-N 3.4Å; E113-G116 PolarHBondContact O-N 3.07Å; G116-R118 PolarHBondContact O-N 3.05Å; G116-M119 PolarHBondContact O-N 2.91Å; G116-M119 VanDerWaalsContact O-N 3.1Å; G116-V120 WeakPolarHBondContact O-CG2 3.42Å; G116-V120 PolarHBondContact O-N 3.38Å
117	R	63.1	Low	63.3	Low	102 Å²	102	66.1 Å²	66.1	39%	0.385	37%	0.365	S	S	.	.	H	α-helix	trans	-56.1	-44.3	176.9	-72.8	176.1	-175.5	-140.5	4.9	112.8	E113 M119 V120 L121 E195	E113-R117 WeakPolarHBondContact O-CG 3.46Å; E113-R117 PolarHBondContact O-N 2.89Å; E113-R117 IonicContact OE1-CZ 3.42Å; E113-R117 IonicContact OE1-NE 3.02Å; E113-R117 PolarHBondContact OE1-NE 3.39Å; E113-R117 IonicContact OE1-NH2 3.67Å; E113-R117 PolarHBondContact OE1-NH2 3.38Å; R117-M119 VanDerWaalsContact C-N 3.33Å; R117-M119 PolarHBondContact O-N 3.31Å; R117-V120 PolarHBondContact O-N 2.92Å; R117-L121 WeakPolarHBondContact O-CG 3.28Å; R117-L121 PolarHBondContact O-N 2.93Å; R117-L121 VanDerWaalsContact O-N 3.08Å; R117-E195 IonicContact CZ-OE1 2.82Å; R117-E195 IonicContact CZ-OE2 3.98Å; R117-E195 IonicContact NH1-OE1 3.17Å; R117-E195 PolarHBondContact NH1-OE1 2.87Å; R117-E195 IonicContact NH1-OE2 3.2Å; R117-E195 PolarHBondContact NH1-OE2 3.35Å; R117-E195 IonicContact NH2-OE2 3.75Å
118	R	68.3	Low	63.7	Low	169 Å²	169	69.2 Å²	69.2	64%	0.638	36%	0.362	S	S	*	.	H	α-helix	trans	-63.3	-37.5	176.9	-89.2	-174.2	-111.3	142.2	-3.2	113	T114 A115 G116 Q122	T114-R118 PolarHBondContact O-N 2.9Å; A115-R118 PolarHBondContact O-N 3.25Å; G116-R118 PolarHBondContact O-N 3.05Å; R118-Q122 WeakPolarHBondContact O-CB 3.46Å; R118-Q122 PolarHBondContact O-N 3.39Å; R118-Q122 VanDerWaalsContact O-N 3.12Å
119	M	63.1	Low	64	Low	28 Å²	28	74 Å²	74	14%	0.138	38%	0.384	C	S	.	.	H	α-helix	trans	-73.1	-37.6	179.4	-65.8	-165.8	-28.9	0	0	112.4	A115 G116 R117 Q122 L123 Q163 L167	A115-M119 WeakPolarHBondContact O-CG 3.39Å; A115-M119 PolarHBondContact O-N 3.15Å; G116-M119 PolarHBondContact O-N 2.91Å; G116-M119 VanDerWaalsContact O-N 3.1Å; R117-M119 VanDerWaalsContact C-N 3.33Å; R117-M119 PolarHBondContact O-N 3.31Å; M119-Q122 PolarHBondContact O-N 3.3Å; M119-L123 WeakPolarHBondContact O-CB 3.37Å; M119-L123 PolarHBondContact O-N 3.07Å; M119-Q163 HydrophobicContact CE-CB 3.92Å; M119-Q163 HydrophobicContact CE-CG 4.49Å; M119-Q163 WeakPolarHBondContact CE-O 3.33Å; M119-Q163 PolarHBondContact O-NE2 3.5Å; M119-Q163 HydrophobicContact SD-CB 4.12Å; M119-Q163 HydrophobicContact SD-CG 4.14Å; M119-L167 HydrophobicContact CE-CB 4.13Å; M119-L167 HydrophobicContact CE-CD1 3.12Å; M119-L167 HydrophobicContact CE-CG 3.35Å
120	V	63.4	Low	63.8	Low	67 Å²	67	74 Å²	74	41%	0.406	38%	0.379	S	S	.	.	H	α-helix	trans	-61.3	-49	174.7	171.8	0	0	0	0	110.5	G116 R117 Q122 L123 E124 L199	G116-V120 WeakPolarHBondContact O-CG2 3.42Å; G116-V120 PolarHBondContact O-N 3.38Å; R117-V120 PolarHBondContact O-N 2.92Å; V120-Q122 VanDerWaalsContact C-N 3.27Å; V120-Q122 PolarHBondContact O-N 3.31Å; V120-L123 PolarHBondContact O-N 3.25Å; V120-L123 VanDerWaalsContact O-N 3.15Å; V120-E124 PolarHBondContact O-N 3.28Å; V120-L199 HydrophobicContact CG1-CD1 4.07Å
121	L	67.6	Low	63.7	Low	111 Å²	111	75.9 Å²	75.9	58%	0.581	38%	0.383	S	S	*	.	H	α-helix	trans	-59.7	-38.3	176.5	-71.8	170.3	0	0	0	112.4	R117 S125	R117-L121 WeakPolarHBondContact O-CG 3.28Å; R117-L121 PolarHBondContact O-N 2.93Å; R117-L121 VanDerWaalsContact O-N 3.08Å; L121-S125 WeakPolarHBondContact O-CB 3.47Å; L121-S125 PolarHBondContact O-N 3.13Å; L121-S125 VanDerWaalsContact O-N 3.08Å
122	Q	64.6	Low	63.7	Low	134 Å²	134	77.2 Å²	77.2	63%	0.626	38%	0.379	S	S	*	.	H	α-helix	trans	-69	-37.5	177.9	-169	178	-20.1	0	0	112.2	R118 M119 V120 H126	R118-Q122 WeakPolarHBondContact O-CB 3.46Å; R118-Q122 PolarHBondContact O-N 3.39Å; R118-Q122 VanDerWaalsContact O-N 3.12Å; M119-Q122 PolarHBondContact O-N 3.3Å; V120-Q122 VanDerWaalsContact C-N 3.27Å; V120-Q122 PolarHBondContact O-N 3.31Å; Q122-H126 PolarHBondContact O-N 3.41Å
123	L	62.8	Low	63.5	Low	52 Å²	52	80.1 Å²	80.1	27%	0.272	39%	0.392	S	S	.	.	H	α-helix	trans	-70.6	-41.1	177.2	-172.3	63.4	0	0	0	111.4	M119 V120 H126 L127	M119-L123 WeakPolarHBondContact O-CB 3.37Å; M119-L123 PolarHBondContact O-N 3.07Å; V120-L123 PolarHBondContact O-N 3.25Å; V120-L123 VanDerWaalsContact O-N 3.15Å; L123-H126 PolarHBondContact O-N 2.91Å; L123-L127 WeakPolarHBondContact O-CB 3.36Å; L123-L127 PolarHBondContact O-N 2.97Å
124	E	60.3	Low	63.3	Low	71 Å²	71	79.3 Å²	79.3	33%	0.332	39%	0.391	S	S	.	.	H	α-helix	trans	-62.5	-43.9	176.6	-163.9	-158.3	144.7	0	0	111.7	V120 H126 L127 R128	V120-E124 PolarHBondContact O-N 3.28Å; E124-H126 VanDerWaalsContact C-N 3.29Å; E124-H126 PolarHBondContact O-N 3.47Å; E124-L127 PolarHBondContact O-N 3.36Å; E124-R128 WeakPolarHBondContact O-CB 3.37Å; E124-R128 PolarHBondContact O-N 3.47Å; E124-R128 IonicContact OE1-CZ 3.42Å; E124-R128 IonicContact OE1-NH2 2.72Å; E124-R128 PolarHBondContact OE1-NH2 2.89Å
125	S	66.8	Low	62.9	Low	61 Å²	61	81.7 Å²	81.7	43%	0.427	40%	0.395	S	S	.	.	H	α-helix	trans	-58.2	-43.1	175.1	-172.8	0	0	0	0	111.6	L121 R128 E129	L121-S125 WeakPolarHBondContact O-CB 3.47Å; L121-S125 PolarHBondContact O-N 3.13Å; L121-S125 VanDerWaalsContact O-N 3.08Å; S125-R128 PolarHBondContact O-N 3.46Å; S125-E129 WeakPolarHBondContact O-CG 3.49Å; S125-E129 PolarHBondContact O-N 3Å
126	H	59.7	Low	62.3	Low	58 Å²	58	87 Å²	87	27%	0.269	42%	0.42	S	S	.	.	H	α-helix	trans	-71.8	-34.9	-178.6	-158.8	52.2	0	0	0	112.5	Q122 L123 E124 E129 T130	Q122-H126 PolarHBondContact O-N 3.41Å; L123-H126 PolarHBondContact O-N 2.91Å; E124-H126 VanDerWaalsContact C-N 3.29Å; E124-H126 PolarHBondContact O-N 3.47Å; H126-E129 IonicContact ND1-OE2 3.64Å; H126-T130 WeakPolarHBondContact O-CG2 3.45Å; H126-T130 PolarHBondContact O-N 3.41Å; H126-T130 VanDerWaalsContact O-N 3.11Å; H126-T130 PolarHBondContact O-OG1 3.14Å
127	L	60.5	Low	61.8	Low	68 Å²	68	88.9 Å²	88.9	36%	0.356	43%	0.431	S	S	.	.	H	α-helix	trans	-65.2	-42	172.8	-162.9	88.6	0	0	0	111	L123 E124 T130 L131 L156	L123-L127 WeakPolarHBondContact O-CB 3.36Å; L123-L127 PolarHBondContact O-N 2.97Å; E124-L127 PolarHBondContact O-N 3.36Å; L127-T130 WeakPolarHBondContact CA-OG1 3.42Å; L127-T130 PolarHBondContact O-N 3.25Å; L127-T130 PolarHBondContact O-OG1 2.96Å; L127-L131 VanDerWaalsContact O-CB 3.28Å; L127-L131 WeakPolarHBondContact O-CB 3.28Å; L127-L131 PolarHBondContact O-N 3.37Å; L127-L156 HydrophobicContact CD1-CD2 3.89Å
128	R	66.8	Low	61.1	Low	155 Å²	155	91 Å²	91	59%	0.585	45%	0.45	S	S	*	.	H	α-helix	trans	-64.3	-44.4	178.5	-170.6	178.9	-63.2	-95.1	0.8	111.8	E124 S125 L131 E132	E124-R128 WeakPolarHBondContact O-CB 3.37Å; E124-R128 PolarHBondContact O-N 3.47Å; E124-R128 IonicContact OE1-CZ 3.42Å; E124-R128 IonicContact OE1-NH2 2.72Å; E124-R128 PolarHBondContact OE1-NH2 2.89Å; S125-R128 PolarHBondContact O-N 3.46Å; R128-L131 PolarHBondContact O-N 3.48Å; R128-E132 WeakPolarHBondContact O-CG 3.42Å; R128-E132 PolarHBondContact O-N 2.93Å
129	E	65.4	Low	60.1	Low	110 Å²	110	90 Å²	90	51%	0.514	46%	0.457	S	S	.	.	H	α-helix	trans	-61.8	-42.4	175.9	-76.1	174.9	177.6	0	0	112.6	S125 H126 L131 L133	S125-E129 WeakPolarHBondContact O-CG 3.49Å; S125-E129 PolarHBondContact O-N 3Å; H126-E129 IonicContact ND1-OE2 3.64Å; E129-L131 VanDerWaalsContact C-N 3.34Å; E129-L133 PolarHBondContact O-N 2.89Å
130	T	59	Low	59.5	Low	25 Å²	25	93.8 Å²	93.8	15%	0.153	48%	0.482	C	S	.	.	H	α-helix	trans	-68.9	-34	178.8	46.2	0	0	0	0	112.3	H126 L127 L133 L134 L156	H126-T130 WeakPolarHBondContact O-CG2 3.45Å; H126-T130 PolarHBondContact O-N 3.41Å; H126-T130 VanDerWaalsContact O-N 3.11Å; H126-T130 PolarHBondContact O-OG1 3.14Å; L127-T130 WeakPolarHBondContact CA-OG1 3.42Å; L127-T130 PolarHBondContact O-N 3.25Å; L127-T130 PolarHBondContact O-OG1 2.96Å; T130-L133 PolarHBondContact O-N 3Å; T130-L134 WeakPolarHBondContact O-CG 3.1Å; T130-L134 PolarHBondContact O-N 3.46Å; T130-L156 HydrophobicContact CG2-CD1 4.4Å
131	L	60.6	Low	58.7	Low	84 Å²	84	96.8 Å²	96.8	44%	0.44	50%	0.503	S	S	.	.	H	α-helix	trans	-73.9	-34.8	178	-157.4	140.6	0	0	0	112.6	L127 R128 E129 L134 K135	L127-L131 VanDerWaalsContact O-CB 3.28Å; L127-L131 WeakPolarHBondContact O-CB 3.28Å; L127-L131 PolarHBondContact O-N 3.37Å; R128-L131 PolarHBondContact O-N 3.48Å; E129-L131 VanDerWaalsContact C-N 3.34Å; L131-L134 WeakPolarHBondContact O-CB 3.39Å; L131-L134 PolarHBondContact O-N 3.12Å; L131-K135 HydrophobicContact CD2-CD 4.44Å; L131-K135 WeakPolarHBondContact O-CG 3.43Å; L131-K135 PolarHBondContact O-N 3.21Å; L131-K135 VanDerWaalsContact O-N 3.07Å
132	E	63.4	Low	57.8	Low	87 Å²	87	96 Å²	96	41%	0.407	50%	0.502	S	S	.	.	H	α-helix	trans	-69	-37.1	171	-71	-58.5	134	0	0	112.1	R128 L134 K135 L136	R128-E132 WeakPolarHBondContact O-CG 3.42Å; R128-E132 PolarHBondContact O-N 2.93Å; E132-L134 VanDerWaalsContact C-N 3.31Å; E132-L134 PolarHBondContact O-N 3.22Å; E132-K135 PolarHBondContact O-N 3.43Å; E132-K135 IonicContact OE1-NZ 2.66Å; E132-K135 PolarHBondContact OE1-NZ 3.37Å; E132-L136 WeakPolarHBondContact O-CD1 3.48Å; E132-L136 PolarHBondContact O-N 2.9Å; E132-L136 VanDerWaalsContact O-N 3.08Å
133	L	60.1	Low	57	Low	98 Å²	98	94.2 Å²	94.2	51%	0.513	51%	0.51	S	S	.	.	H	α-helix	trans	-62.6	-37.2	171.6	-92.7	155.1	0	0	0	112.7	E129 T130 L136 S137	E129-L133 PolarHBondContact O-N 2.89Å; T130-L133 PolarHBondContact O-N 3Å; L133-L136 PolarHBondContact O-N 3.24Å; L133-S137 PolarHBondContact O-N 3.38Å
134	L	57.5	Low	56.5	Low	83 Å²	83	94 Å²	94	44%	0.435	52%	0.521	S	S	.	.	H	α-helix	trans	-65.3	-43.5	174.5	-85.4	162.6	0	0	0	112	T130 L131 E132 L136 S137 L149	T130-L134 WeakPolarHBondContact O-CG 3.1Å; T130-L134 PolarHBondContact O-N 3.46Å; L131-L134 WeakPolarHBondContact O-CB 3.39Å; L131-L134 PolarHBondContact O-N 3.12Å; E132-L134 VanDerWaalsContact C-N 3.31Å; E132-L134 PolarHBondContact O-N 3.22Å; L134-L136 VanDerWaalsContact C-N 3.34Å; L134-L136 PolarHBondContact O-N 3.03Å; L134-S137 PolarHBondContact O-N 3.41Å; L134-L149 HydrophobicContact CD1-CD1 4.35Å; L134-L149 HydrophobicContact CD2-CD1 3.53Å; L134-L149 HydrophobicContact CD2-CD2 3.88Å; L134-L149 HydrophobicContact CD2-CG 4.37Å; L134-L149 HydrophobicContact CG-CD1 4.07Å
135	K	58.6	Low	56.3	Low	117 Å²	117	93.8 Å²	93.8	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-63.5	-35.7	176.1	-73.7	176.1	-175.1	164.4	0	113.2	L131 E132 S137	L131-K135 HydrophobicContact CD2-CD 4.44Å; L131-K135 WeakPolarHBondContact O-CG 3.43Å; L131-K135 PolarHBondContact O-N 3.21Å; L131-K135 VanDerWaalsContact O-N 3.07Å; E132-K135 PolarHBondContact O-N 3.43Å; E132-K135 IonicContact OE1-NZ 2.66Å; E132-K135 PolarHBondContact OE1-NZ 3.37Å; K135-S137 VanDerWaalsContact C-N 3.3Å; K135-S137 PolarHBondContact O-N 3.49Å
136	L	54.9	Low	55.7	Low	132 Å²	132	97.6 Å²	97.6	69%	0.691	53%	0.531	S	S	*	.	H	α-helix	trans	-74.2	-18.3	176.1	-93.8	102.5	0	0	0	113.7	E132 L133 L134 D138	E132-L136 WeakPolarHBondContact O-CD1 3.48Å; E132-L136 PolarHBondContact O-N 2.9Å; E132-L136 VanDerWaalsContact O-N 3.08Å; L133-L136 PolarHBondContact O-N 3.24Å; L134-L136 VanDerWaalsContact C-N 3.34Å; L134-L136 PolarHBondContact O-N 3.03Å; L136-D138 VanDerWaalsContact C-N 3.33Å
137	S	51.3	Low	55.4	Low	54 Å²	54	100.3 Å²	100.3	38%	0.378	55%	0.548	S	S	.	.	G	3₁₀ helix	trans	-80.1	-10.1	-178.7	-135.9	0	0	0	0	114.1	L133 L134 K135 L139 N145	L133-S137 PolarHBondContact O-N 3.38Å; L134-S137 PolarHBondContact O-N 3.41Å; K135-S137 VanDerWaalsContact C-N 3.3Å; K135-S137 PolarHBondContact O-N 3.49Å; S137-L139 PolarHBondContact O-N 3.48Å; S137-N145 PolarHBondContact OG-ND2 3.05Å
138	D	48.6	Very low	55.3	Low	146 Å²	146	102.2 Å²	102.2	78%	0.781	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-67.7	-1.3	178.4	-92	-20.5	0	0	0	114.4	L136	L136-D138 VanDerWaalsContact C-N 3.33Å
139	L	47.9	Very low	54.8	Low	149 Å²	149	97.2 Å²	97.2	78%	0.78	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-102.6	-1.1	-175.8	-76.9	166.3	0	0	0	116.6	S137	S137-L139 PolarHBondContact O-N 3.48Å
140	T	49.9	Very low	54.4	Low	108 Å²	108	96.8 Å²	96.8	66%	0.663	54%	0.537	S	S	*	.			trans	-175.8	127.2	161	31.2	0	0	0	0	112.4
141	P	47.2	Very low	54.7	Low	130 Å²	130	98 Å²	98	84%	0.844	55%	0.55	S	S	*	.			trans	-90.4	116.3	-178.8	33.3	-30	0	0	0	111.5
142	T	47.8	Very low	54.7	Low	94 Å²	94	96.1 Å²	96.1	58%	0.577	54%	0.539	S	S	*	.			trans	-118.3	149.5	163.4	62.8	0	0	0	0	110.6	G144 N145	T142-G144 PolarHBondContact O-N 3.11Å; T142-N145 PolarHBondContact O-N 3.24Å
143	A	47.8	Very low	54.6	Low	96 Å²	96	96.4 Å²	96.4	79%	0.793	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-14.3	-174.8	0	0	0	0	0	114.9
144	G	53	Low	54.9	Low	48 Å²	48	97.4 Å²	97.4	50%	0.495	54%	0.544	S	S	.	.	H	α-helix	trans	-73.5	-25.1	174.2	0	0	0	0	0	114.4	T142 F146 H148	T142-G144 PolarHBondContact O-N 3.11Å; G144-F146 PolarHBondContact O-N 3.47Å; G144-H148 PolarHBondContact O-N 3.43Å
145	N	55.8	Low	55.4	Low	67 Å²	67	98.8 Å²	98.8	36%	0.358	55%	0.549	S	S	.	.	H	α-helix	trans	-73.4	-27.2	-173.9	-74.4	6.1	0	0	0	113.3	S137 T142 L149	S137-N145 PolarHBondContact OG-ND2 3.05Å; T142-N145 PolarHBondContact O-N 3.24Å; N145-L149 WeakPolarHBondContact O-CB 3.48Å; N145-L149 PolarHBondContact O-N 2.97Å
146	F	52.9	Low	55.5	Low	141 Å²	141	95.3 Å²	95.3	62%	0.618	54%	0.535	S	S	*	.	H	α-helix	trans	-73.8	-44	-176.4	-159.2	-92.9	0	0	0	112.4	G144 H148 L149 E150	G144-F146 PolarHBondContact O-N 3.47Å; F146-H148 VanDerWaalsContact C-N 3.28Å; F146-H148 PolarHBondContact O-N 2.98Å; F146-L149 PolarHBondContact O-N 3.38Å; F146-E150 WeakPolarHBondContact O-CB 3.38Å; F146-E150 PolarHBondContact O-N 3.01Å
147	N	53.8	Low	55.8	Low	114 Å²	114	94.2 Å²	94.2	61%	0.61	53%	0.529	S	S	*	.	H	α-helix	trans	-66.9	-33.1	175.9	-64.4	-12.8	0	0	0	111.4	A151	N147-A151 WeakPolarHBondContact O-CB 3.49Å; N147-A151 PolarHBondContact O-N 3.5Å
148	H	58.9	Low	56.5	Low	108 Å²	108	94.8 Å²	94.8	50%	0.5	53%	0.533	S	S	.	.	H	α-helix	trans	-67.8	-43.6	174.7	-173.8	-87.1	0	0	0	111.7	G144 F146 A151 Q152	G144-H148 PolarHBondContact O-N 3.43Å; F146-H148 VanDerWaalsContact C-N 3.28Å; F146-H148 PolarHBondContact O-N 2.98Å; H148-A151 PolarHBondContact O-N 3.4Å; H148-Q152 PolarHBondContact CE1-NE2 3.02Å; H148-Q152 PolarHBondContact CE1-OE1 3.15Å; H148-Q152 VanDerWaalsContact CE1-OE1 3.31Å; H148-Q152 PolarHBondContact ND1-OE1 2.88Å; H148-Q152 VanDerWaalsContact ND1-OE1 3.15Å; H148-Q152 WeakPolarHBondContact O-CG 3.36Å; H148-Q152 PolarHBondContact O-N 3.05Å
149	L	56.5	Low	57.3	Low	51 Å²	51	89.4 Å²	89.4	27%	0.267	51%	0.509	S	S	.	.	H	α-helix	trans	-65.3	-41.3	177.5	-177.8	61.6	0	0	0	112	L134 N145 F146 A151 Q152 I153	L134-L149 HydrophobicContact CD1-CD1 4.35Å; L134-L149 HydrophobicContact CD2-CD1 3.53Å; L134-L149 HydrophobicContact CD2-CD2 3.88Å; L134-L149 HydrophobicContact CD2-CG 4.37Å; L134-L149 HydrophobicContact CG-CD1 4.07Å; N145-L149 WeakPolarHBondContact O-CB 3.48Å; N145-L149 PolarHBondContact O-N 2.97Å; F146-L149 PolarHBondContact O-N 3.38Å; L149-A151 VanDerWaalsContact C-N 3.35Å; L149-Q152 PolarHBondContact O-N 3.23Å; L149-I153 HydrophobicContact CD1-CD1 4.41Å; L149-I153 HydrophobicContact CG-CD1 4.14Å; L149-I153 WeakPolarHBondContact O-CG1 3.31Å; L149-I153 PolarHBondContact O-N 2.96Å
150	E	57.9	Low	57.9	Low	100 Å²	100	86.4 Å²	86.4	47%	0.467	49%	0.491	S	S	.	.	H	α-helix	trans	-62.4	-41.7	174.7	-173	170	-173	0	0	111.8	F146 Q152 I153 Q154	F146-E150 WeakPolarHBondContact O-CB 3.38Å; F146-E150 PolarHBondContact O-N 3.01Å; E150-Q152 PolarHBondContact O-N 3.18Å; E150-I153 PolarHBondContact O-N 3.31Å; E150-Q154 WeakPolarHBondContact O-CG 3.49Å; E150-Q154 PolarHBondContact O-N 3.01Å
151	A	65.3	Low	58.4	Low	51 Å²	51	87.5 Å²	87.5	42%	0.421	49%	0.489	S	S	.	.	H	α-helix	trans	-63.7	-39	174.8	0	0	0	0	0	112.5	N147 H148 L149 Q154 Q155	N147-A151 WeakPolarHBondContact O-CB 3.49Å; N147-A151 PolarHBondContact O-N 3.5Å; H148-A151 PolarHBondContact O-N 3.4Å; L149-A151 VanDerWaalsContact C-N 3.35Å; A151-Q154 PolarHBondContact O-N 3.27Å; A151-Q155 WeakPolarHBondContact O-CB 3.22Å; A151-Q155 PolarHBondContact O-N 3.08Å
152	Q	58.9	Low	59.4	Low	44 Å²	44	84.4 Å²	84.4	21%	0.206	47%	0.467	C	S	.	.	H	α-helix	trans	-68	-38	176.7	-74.1	-175.4	-56.5	0	0	112.4	H148 L149 E150 Q155 L156	H148-Q152 PolarHBondContact CE1-NE2 3.02Å; H148-Q152 PolarHBondContact CE1-OE1 3.15Å; H148-Q152 VanDerWaalsContact CE1-OE1 3.31Å; H148-Q152 PolarHBondContact ND1-OE1 2.88Å; H148-Q152 VanDerWaalsContact ND1-OE1 3.15Å; H148-Q152 WeakPolarHBondContact O-CG 3.36Å; H148-Q152 PolarHBondContact O-N 3.05Å; L149-Q152 PolarHBondContact O-N 3.23Å; E150-Q152 PolarHBondContact O-N 3.18Å; Q152-Q155 PolarHBondContact O-N 3.3Å; Q152-L156 PolarHBondContact O-N 3.11Å
153	I	63	Low	60.3	Low	93 Å²	93	81.1 Å²	81.1	48%	0.477	45%	0.446	S	S	.	.	H	α-helix	trans	-65.8	-42.1	174.8	-69.1	166.9	0	0	0	110.7	L149 E150 Q155 L156 L157	L149-I153 HydrophobicContact CD1-CD1 4.41Å; L149-I153 HydrophobicContact CG-CD1 4.14Å; L149-I153 WeakPolarHBondContact O-CG1 3.31Å; L149-I153 PolarHBondContact O-N 2.96Å; E150-I153 PolarHBondContact O-N 3.31Å; I153-Q155 VanDerWaalsContact C-N 3.31Å; I153-Q155 PolarHBondContact O-N 3.43Å; I153-L156 PolarHBondContact O-N 2.91Å; I153-L157 HydrophobicContact CG2-CD1 3.98Å; I153-L157 PolarHBondContact O-N 3.29Å
154	Q	66	Low	60.9	Low	119 Å²	119	79.4 Å²	79.4	56%	0.556	43%	0.425	S	S	*	.	H	α-helix	trans	-64.4	-36.8	175.1	-74.1	-178.9	-7.6	0	0	112.3	E150 A151 L157 S158	E150-Q154 WeakPolarHBondContact O-CG 3.49Å; E150-Q154 PolarHBondContact O-N 3.01Å; A151-Q154 PolarHBondContact O-N 3.27Å; Q154-L157 PolarHBondContact O-N 2.91Å; Q154-S158 WeakPolarHBondContact O-CB 3.36Å; Q154-S158 PolarHBondContact O-N 2.98Å; Q154-S158 PolarHBondContact O-OG 3.17Å
155	Q	67.6	Low	61.5	Low	113 Å²	113	79.3 Å²	79.3	53%	0.528	42%	0.417	S	S	.	.	H	α-helix	trans	-63.4	-42.8	174.1	-171.4	175.7	-16.6	0	0	111.2	A151 Q152 I153 S158 A159	A151-Q155 WeakPolarHBondContact O-CB 3.22Å; A151-Q155 PolarHBondContact O-N 3.08Å; Q152-Q155 PolarHBondContact O-N 3.3Å; I153-Q155 VanDerWaalsContact C-N 3.31Å; I153-Q155 PolarHBondContact O-N 3.43Å; Q155-S158 PolarHBondContact O-N 3.45Å; Q155-S158 PolarHBondContact O-OG 3.42Å; Q155-A159 WeakPolarHBondContact O-CB 3.33Å; Q155-A159 PolarHBondContact O-N 3.02Å
156	L	60.6	Low	61.9	Low	43 Å²	43	83.6 Å²	83.6	23%	0.225	43%	0.428	C	S	.	.	H	α-helix	trans	-63.4	-44.5	177.6	-153.9	103.3	0	0	0	111.9	L127 T130 Q152 I153 A159 E160	L127-L156 HydrophobicContact CD1-CD2 3.89Å; T130-L156 HydrophobicContact CG2-CD1 4.4Å; Q152-L156 PolarHBondContact O-N 3.11Å; I153-L156 PolarHBondContact O-N 2.91Å; L156-A159 PolarHBondContact O-N 3.48Å; L156-E160 PolarHBondContact O-N 3.28Å
157	L	62.1	Low	62.4	Low	109 Å²	109	79.6 Å²	79.6	57%	0.571	41%	0.413	S	S	*	.	H	α-helix	trans	-62.1	-41.8	175.7	-82.7	157.1	0	0	0	112.4	I153 Q154 A159 E160 H161	I153-L157 HydrophobicContact CG2-CD1 3.98Å; I153-L157 PolarHBondContact O-N 3.29Å; Q154-L157 PolarHBondContact O-N 2.91Å; L157-A159 VanDerWaalsContact C-N 3.34Å; L157-E160 PolarHBondContact O-N 2.79Å; L157-H161 PolarHBondContact O-N 3.31Å; L157-H161 VanDerWaalsContact O-N 3.09Å
158	S	66	Low	63	Low	66 Å²	66	76.7 Å²	76.7	46%	0.462	40%	0.404	S	S	.	.	H	α-helix	trans	-69.4	-32.8	177.4	70.8	0	0	0	0	112.8	Q154 Q155 T162	Q154-S158 WeakPolarHBondContact O-CB 3.36Å; Q154-S158 PolarHBondContact O-N 2.98Å; Q154-S158 PolarHBondContact O-OG 3.17Å; Q155-S158 PolarHBondContact O-N 3.45Å; Q155-S158 PolarHBondContact O-OG 3.42Å; S158-T162 WeakPolarHBondContact O-CB 3.49Å; S158-T162 PolarHBondContact O-N 3.17Å; S158-T162 PolarHBondContact O-OG1 2.76Å
159	A	64.8	Low	63.5	Low	34 Å²	34	78.6 Å²	78.6	28%	0.281	41%	0.411	S	S	.	.	H	α-helix	trans	-67.6	-43	175.6	0	0	0	0	0	111.4	Q155 L156 L157 T162 Q163	Q155-A159 WeakPolarHBondContact O-CB 3.33Å; Q155-A159 PolarHBondContact O-N 3.02Å; L156-A159 PolarHBondContact O-N 3.48Å; L157-A159 VanDerWaalsContact C-N 3.34Å; A159-T162 PolarHBondContact O-N 3.17Å; A159-Q163 WeakPolarHBondContact O-CB 3.42Å; A159-Q163 WeakPolarHBondContact O-CG 3.34Å; A159-Q163 PolarHBondContact O-N 2.99Å
160	E	59.9	Low	63.9	Low	85 Å²	85	80 Å²	80	40%	0.397	42%	0.419	S	S	.	.	H	α-helix	trans	-59.6	-49.5	174.5	-173.1	-78.5	153.5	0	0	111	L156 L157 T162 Q163 T164	L156-E160 PolarHBondContact O-N 3.28Å; L157-E160 PolarHBondContact O-N 2.79Å; E160-T162 VanDerWaalsContact C-N 3.26Å; E160-T162 PolarHBondContact O-N 2.98Å; E160-Q163 PolarHBondContact O-N 2.72Å; E160-Q163 VanDerWaalsContact O-N 3.08Å; E160-T164 PolarHBondContact O-N 3.18Å; E160-T164 PolarHBondContact O-OG1 3.02Å; E160-T164 VanDerWaalsContact O-OG1 3.11Å; E160-T164 WeakPolarHBondContact OE1-CG2 3.44Å
161	H	61.3	Low	64.2	Low	131 Å²	131	80.3 Å²	80.3	61%	0.606	42%	0.42	S	S	*	.	H	α-helix	trans	-63.4	-33.5	178.9	-164.2	64.2	0	0	0	112.8	L157 T164 S165	L157-H161 PolarHBondContact O-N 3.31Å; L157-H161 VanDerWaalsContact O-N 3.09Å; H161-T164 WeakPolarHBondContact CA-OG1 3.38Å; H161-T164 PolarHBondContact O-OG1 3.09Å; H161-T164 VanDerWaalsContact O-OG1 3.08Å; H161-S165 WeakPolarHBondContact O-CB 3.49Å; H161-S165 PolarHBondContact O-N 3.06Å; H161-S165 VanDerWaalsContact O-N 3.17Å; H161-S165 PolarHBondContact O-OG 3.3Å
162	T	67.8	Low	64.1	Low	65 Å²	65	80.7 Å²	80.7	40%	0.399	42%	0.42	S	S	.	.	H	α-helix	trans	-72.3	-35	175.7	-57.9	0	0	0	0	111.7	S158 A159 E160 S165 R166	S158-T162 WeakPolarHBondContact O-CB 3.49Å; S158-T162 PolarHBondContact O-N 3.17Å; S158-T162 PolarHBondContact O-OG1 2.76Å; A159-T162 PolarHBondContact O-N 3.17Å; E160-T162 VanDerWaalsContact C-N 3.26Å; E160-T162 PolarHBondContact O-N 2.98Å; T162-S165 WeakPolarHBondContact CA-OG 3.47Å; T162-S165 PolarHBondContact O-OG 3.18Å; T162-R166 WeakPolarHBondContact O-CB 3.23Å; T162-R166 VanDerWaalsContact O-CG 3.23Å; T162-R166 WeakPolarHBondContact O-CG 3.48Å; T162-R166 PolarHBondContact O-N 3.43Å
163	Q	66.4	Low	64.3	Low	26 Å²	26	82 Å²	82	12%	0.121	43%	0.434	C	S	.	.	H	α-helix	trans	-72.8	-44.5	177.4	-77.3	-179.8	-32.7	0	0	111.7	M119 A159 E160 S165 R166 L167	M119-Q163 HydrophobicContact CE-CB 3.92Å; M119-Q163 HydrophobicContact CE-CG 4.49Å; M119-Q163 WeakPolarHBondContact CE-O 3.33Å; M119-Q163 PolarHBondContact O-NE2 3.5Å; M119-Q163 HydrophobicContact SD-CB 4.12Å; M119-Q163 HydrophobicContact SD-CG 4.14Å; A159-Q163 WeakPolarHBondContact O-CB 3.42Å; A159-Q163 WeakPolarHBondContact O-CG 3.34Å; A159-Q163 PolarHBondContact O-N 2.99Å; E160-Q163 PolarHBondContact O-N 2.72Å; E160-Q163 VanDerWaalsContact O-N 3.08Å; Q163-S165 PolarHBondContact O-N 2.92Å; Q163-R166 WeakPolarHBondContact O-CB 3.43Å; Q163-R166 PolarHBondContact O-N 3.24Å; Q163-R166 VanDerWaalsContact O-N 3.17Å; Q163-L167 PolarHBondContact O-N 2.91Å
164	T	60.8	Low	64.3	Low	59 Å²	59	79.3 Å²	79.3	36%	0.362	42%	0.423	S	S	.	.	H	α-helix	trans	-62	-41.8	176.3	50.5	0	0	0	0	112.2	E160 H161 R166 L167 A168	E160-T164 PolarHBondContact O-N 3.18Å; E160-T164 PolarHBondContact O-OG1 3.02Å; E160-T164 VanDerWaalsContact O-OG1 3.11Å; E160-T164 WeakPolarHBondContact OE1-CG2 3.44Å; H161-T164 WeakPolarHBondContact CA-OG1 3.38Å; H161-T164 PolarHBondContact O-OG1 3.09Å; H161-T164 VanDerWaalsContact O-OG1 3.08Å; T164-R166 VanDerWaalsContact C-N 3.33Å; T164-R166 PolarHBondContact O-N 3.48Å; T164-L167 PolarHBondContact O-N 3.04Å; T164-A168 PolarHBondContact O-N 2.86Å
165	S	64.3	Low	63.9	Low	46 Å²	46	79 Å²	79	32%	0.322	42%	0.424	S	S	.	.	H	α-helix	trans	-67.8	-28.9	175.3	61.2	0	0	0	0	113.7	H161 T162 Q163 K169	H161-S165 WeakPolarHBondContact O-CB 3.49Å; H161-S165 PolarHBondContact O-N 3.06Å; H161-S165 VanDerWaalsContact O-N 3.17Å; H161-S165 PolarHBondContact O-OG 3.3Å; T162-S165 WeakPolarHBondContact CA-OG 3.47Å; T162-S165 PolarHBondContact O-OG 3.18Å; Q163-S165 PolarHBondContact O-N 2.92Å; S165-K169 WeakPolarHBondContact O-CB 3.44Å; S165-K169 VanDerWaalsContact O-CG 3.27Å; S165-K169 WeakPolarHBondContact O-CG 3.46Å; S165-K169 PolarHBondContact O-N 2.96Å; S165-K169 VanDerWaalsContact O-N 3.17Å
166	R	65.5	Low	63.4	Low	158 Å²	158	77.9 Å²	77.9	60%	0.596	43%	0.429	S	S	*	.	H	α-helix	trans	-71.7	-40	172.4	-78.7	174.5	176	-165.5	-0.1	112.2	T162 Q163 T164 K169 L170	T162-R166 WeakPolarHBondContact O-CB 3.23Å; T162-R166 VanDerWaalsContact O-CG 3.23Å; T162-R166 WeakPolarHBondContact O-CG 3.48Å; T162-R166 PolarHBondContact O-N 3.43Å; Q163-R166 WeakPolarHBondContact O-CB 3.43Å; Q163-R166 PolarHBondContact O-N 3.24Å; Q163-R166 VanDerWaalsContact O-N 3.17Å; T164-R166 VanDerWaalsContact C-N 3.33Å; T164-R166 PolarHBondContact O-N 3.48Å; R166-K169 PolarHBondContact O-N 2.98Å; R166-L170 WeakPolarHBondContact O-CG 3.4Å; R166-L170 PolarHBondContact O-N 2.98Å
167	L	64.1	Low	63	Low	57 Å²	57	79.5 Å²	79.5	30%	0.298	44%	0.444	S	S	.	.	H	α-helix	trans	-61.1	-49.3	174.3	-106.7	163.1	0	0	0	111.3	V112 M119 Q163 T164 K169 L170 E171	V112-L167 HydrophobicContact CG1-CD2 4.21Å; M119-L167 HydrophobicContact CE-CB 4.13Å; M119-L167 HydrophobicContact CE-CD1 3.12Å; M119-L167 HydrophobicContact CE-CG 3.35Å; Q163-L167 PolarHBondContact O-N 2.91Å; T164-L167 PolarHBondContact O-N 3.04Å; L167-K169 VanDerWaalsContact C-N 3.27Å; L167-K169 PolarHBondContact O-N 2.96Å; L167-L170 PolarHBondContact O-N 3.31Å; L167-L170 VanDerWaalsContact O-N 3.07Å; L167-E171 WeakPolarHBondContact O-CB 3.27Å; L167-E171 PolarHBondContact O-N 3.28Å
168	A	65.3	Low	62.5	Low	52 Å²	52	81.1 Å²	81.1	43%	0.43	44%	0.442	S	S	.	.	H	α-helix	trans	-61.8	-34	177.5	0	0	0	0	0	113	T164 S172	T164-A168 PolarHBondContact O-N 2.86Å; A168-S172 WeakPolarHBondContact O-CB 3.44Å; A168-S172 PolarHBondContact O-N 3.01Å; A168-S172 PolarHBondContact O-OG 3.49Å
169	K	69.3	Low	61.5	Low	148 Å²	148	83.9 Å²	83.9	64%	0.643	46%	0.462	S	S	*	.	H	α-helix	trans	-70.3	-36.9	173.3	-78.4	177	-175.1	177.6	0	112.7	S165 R166 L167 S172 S173	S165-K169 WeakPolarHBondContact O-CB 3.44Å; S165-K169 VanDerWaalsContact O-CG 3.27Å; S165-K169 WeakPolarHBondContact O-CG 3.46Å; S165-K169 PolarHBondContact O-N 2.96Å; S165-K169 VanDerWaalsContact O-N 3.17Å; R166-K169 PolarHBondContact O-N 2.98Å; L167-K169 VanDerWaalsContact C-N 3.27Å; L167-K169 PolarHBondContact O-N 2.96Å; K169-S172 WeakPolarHBondContact CA-OG 3.39Å; K169-S172 PolarHBondContact O-OG 3.47Å; K169-S173 WeakPolarHBondContact O-CB 3.37Å; K169-S173 PolarHBondContact O-N 2.99Å
170	L	65	Low	60.3	Low	82 Å²	82	85.9 Å²	85.9	43%	0.429	48%	0.478	S	S	.	.	H	α-helix	trans	-68.8	-41.4	175.6	-75.7	166.7	0	0	0	111.1	A115 R166 L167 S173 C174	A115-L170 HydrophobicContact CB-CD1 4.04Å; R166-L170 WeakPolarHBondContact O-CG 3.4Å; R166-L170 PolarHBondContact O-N 2.98Å; L167-L170 PolarHBondContact O-N 3.31Å; L167-L170 VanDerWaalsContact O-N 3.07Å; L170-S173 PolarHBondContact O-N 3.37Å; L170-C174 VanDerWaalsContact O-CB 3.28Å; L170-C174 WeakPolarHBondContact O-CB 3.33Å; L170-C174 PolarHBondContact O-N 3.33Å
171	E	63.4	Low	59.2	Low	106 Å²	106	85.7 Å²	85.7	50%	0.495	50%	0.499	S	S	.	.	H	α-helix	trans	-60.7	-51.2	175.1	-171.6	179.8	-175	0	0	111.5	L167 S173 C174 L175	L167-E171 WeakPolarHBondContact O-CB 3.27Å; L167-E171 PolarHBondContact O-N 3.28Å; E171-S173 PolarHBondContact O-N 3.26Å; E171-C174 PolarHBondContact O-N 2.98Å; E171-L175 WeakPolarHBondContact O-CG 3.35Å; E171-L175 PolarHBondContact O-N 3.43Å; E171-L175 VanDerWaalsContact O-N 3.13Å
172	S	64.4	Low	58.2	Low	59 Å²	59	84.8 Å²	84.8	41%	0.413	51%	0.514	S	S	.	.	H	α-helix	trans	-66.7	-36.7	177.6	53.3	0	0	0	0	113.6	A168 K169 C174 L175 S176	A168-S172 WeakPolarHBondContact O-CB 3.44Å; A168-S172 PolarHBondContact O-N 3.01Å; A168-S172 PolarHBondContact O-OG 3.49Å; K169-S172 WeakPolarHBondContact CA-OG 3.39Å; K169-S172 PolarHBondContact O-OG 3.47Å; S172-C174 VanDerWaalsContact C-N 3.31Å; S172-C174 PolarHBondContact O-N 3.35Å; S172-L175 PolarHBondContact O-N 3.09Å; S172-S176 WeakPolarHBondContact O-CB 3.34Å; S172-S176 PolarHBondContact O-N 3.48Å; S172-S176 VanDerWaalsContact O-N 3.14Å; S172-S176 PolarHBondContact O-OG 2.93Å
173	S	62.6	Low	56.6	Low	71 Å²	71	85.5 Å²	85.5	50%	0.497	54%	0.535	S	S	.	.	H	α-helix	trans	-66.6	-33.6	176	-175.2	0	0	0	0	112	K169 L170 E171 S176 S177	K169-S173 WeakPolarHBondContact O-CB 3.37Å; K169-S173 PolarHBondContact O-N 2.99Å; L170-S173 PolarHBondContact O-N 3.37Å; E171-S173 PolarHBondContact O-N 3.26Å; S173-S176 PolarHBondContact O-N 3.08Å; S173-S177 WeakPolarHBondContact O-CB 3.41Å; S173-S177 PolarHBondContact O-N 2.86Å
174	C	62.7	Low	55.5	Low	36 Å²	36	93.6 Å²	93.6	24%	0.243	57%	0.57	C	S	.	*	H	α-helix	trans	-74.1	-33.8	178.2	-156.6	0	0	0	0	112.7	C108 L170 E171 S172 S176	C108-C174 VanDerWaalsContact CA-SG 3.53Å; C108-C174 HydrophobicContact CB-CB 4.41Å; C108-C174 WeakPolarHBondContact CB-SG 3.15Å; C108-C174 WeakPolarHBondContact SG-CB 3.08Å; C108-C174 CovalentContact SG-SG 1.99Å; C108-C174 PolarHBondContact SG-SG 2.96Å; L170-C174 VanDerWaalsContact O-CB 3.28Å; L170-C174 WeakPolarHBondContact O-CB 3.33Å; L170-C174 PolarHBondContact O-N 3.33Å; E171-C174 PolarHBondContact O-N 2.98Å; S172-C174 VanDerWaalsContact C-N 3.31Å; S172-C174 PolarHBondContact O-N 3.35Å; C174-S176 PolarHBondContact O-N 3.33Å
175	L	59.2	Low	54.1	Low	113 Å²	113	98.7 Å²	98.7	59%	0.592	59%	0.594	S	S	*	*	H	α-helix	trans	-67.1	-24	169.4	-65.8	169.2	0	0	0	112.2	Y104 E171 S172	Y104-L175 HydrophobicContact CE2-CD2 4.1Å; E171-L175 WeakPolarHBondContact O-CG 3.35Å; E171-L175 PolarHBondContact O-N 3.43Å; E171-L175 VanDerWaalsContact O-N 3.13Å; S172-L175 PolarHBondContact O-N 3.09Å
176	S	56	Low	52.9	Low	90 Å²	90	99.8 Å²	99.8	63%	0.629	61%	0.613	S	S	*	*	H	α-helix	trans	-95.5	-27	-175.4	-56	0	0	0	0	114.7	S172 S173 C174 R178	S172-S176 WeakPolarHBondContact O-CB 3.34Å; S172-S176 PolarHBondContact O-N 3.48Å; S172-S176 VanDerWaalsContact O-N 3.14Å; S172-S176 PolarHBondContact O-OG 2.93Å; S173-S176 PolarHBondContact O-N 3.08Å; C174-S176 PolarHBondContact O-N 3.33Å; S176-R178 VanDerWaalsContact C-N 3.28Å; S176-R178 PolarHBondContact O-N 3.37Å
177	S	53.1	Low	51.2	Low	77 Å²	77	100.3 Å²	100.3	54%	0.538	63%	0.627	S	S	.	*	G	3₁₀ helix	trans	-77.9	1.8	-167	78.6	0	0	0	0	116	S173	S173-S177 WeakPolarHBondContact O-CB 3.41Å; S173-S177 PolarHBondContact O-N 2.86Å
178	R	50.8	Low	49.9	Very low	142 Å²	142	106 Å²	106	54%	0.536	65%	0.651	S	S	.	*	G	3₁₀ helix	trans	-101	11.8	-174.6	-124	157.6	92.3	151.7	7.7	115.9	E103 S176 A180	E103-R178 IonicContact OE2-CZ 3.6Å; E103-R178 IonicContact OE2-NH1 3.81Å; E103-R178 IonicContact OE2-NH2 3.56Å; E103-R178 PolarHBondContact OE2-NH2 2.84Å; S176-R178 VanDerWaalsContact C-N 3.28Å; S176-R178 PolarHBondContact O-N 3.37Å; R178-A180 PolarHBondContact O-N 3.01Å
179	S	44.5	Very low	48.3	Very low	125 Å²	125	110.9 Å²	110.9	87%	0.874	67%	0.67	S	S	*	*	G	3₁₀ helix	trans	-72	-4.1	162.6	124.3	0	0	0	0	113.2
180	A	41	Very low	46.4	Very low	75 Å²	75	111.7 Å²	111.7	62%	0.62	68%	0.676	S	S	*	*	S	Bend	trans	-138.8	107.2	179.4	0	0	0	0	0	112.5	R178	R178-A180 PolarHBondContact O-N 3.01Å
181	G	35.8	Very low	45	Very low	81 Å²	81	116.2 Å²	116.2	84%	0.835	70%	0.695	S	S	*	*			trans	68.8	113.6	143.7	0	0	0	0	0	119.8
182	A	40.4	Very low	43.9	Very low	112 Å²	112	116.3 Å²	116.3	93%	0.926	70%	0.702	S	S	*	*			trans	-66.9	150.1	176.8	0	0	0	0	0	115.7
183	G	33.2	Very low	43.2	Very low	80 Å²	80	118.9 Å²	118.9	83%	0.825	72%	0.716	S	S	*	*			trans	-153.5	113	162.2	0	0	0	0	0	110.9
184	K	43.4	Very low	42.2	Very low	197 Å²	197	120.6 Å²	120.6	86%	0.857	73%	0.725	S	S	*	*			trans	-69.2	145.8	178.7	-77	174.3	171.9	175.7	0	111.4
185	N	31.6	Very low	41.3	Very low	165 Å²	165	124 Å²	124	88%	0.882	74%	0.737	S	S	*	*				-171.8	134.9	119.8	-84	-20.2	0	0	0	109.6
186	G	39	Very low	40.4	Very low	70 Å²	70	125.5 Å²	125.5	72%	0.722	74%	0.741	S	S	*	*			trans	-82	154.4	-176.7	0	0	0	0	0	112.9
187	L	30	Very low	39.8	Very low	168 Å²	168	125.3 Å²	125.3	88%	0.88	74%	0.736	S	S	*	*			trans	-140	136.6	154.4	-126.3	96.8	0	0	0	109
188	H	37.1	Very low	39.6	Very low	176 Å²	176	123.8 Å²	123.8	82%	0.815	73%	0.729	S	S	*	*			trans	-70.5	131.9	177.3	-170.1	26.4	0	0	0	109.1
189	L	31.9	Very low	39.3	Very low	156 Å²	156	121.6 Å²	121.6	82%	0.817	73%	0.727	S	S	*	*			trans	-113	132.4	166.5	-116	99.9	0	0	0	110.9
190	Q	30.5	Very low	39.4	Very low	165 Å²	165	121 Å²	121	77%	0.771	71%	0.714	S	S	*	*			trans	-82.9	148.3	170.1	-172.4	122.3	17.4	0	0	109.6
191	E	33.8	Very low	39.8	Very low	176 Å²	176	123.6 Å²	123.6	82%	0.822	71%	0.713	S	S	*	*			trans	-23.9	154.6	171.8	-119.7	157.4	171.3	0	0	120.7
192	V	42	Very low	40.6	Very low	108 Å²	108	122.7 Å²	122.7	66%	0.655	69%	0.691	S	S	*	*			trans	-70.4	161.7	-168.9	-165.3	0	0	0	0	113.9
193	T	48.3	Very low	41.2	Very low	114 Å²	114	121.8 Å²	121.8	70%	0.699	67%	0.671	S	S	*	*			trans	89.3	108.5	159.2	69.8	0	0	0	0	115.8
194	P	41.2	Very low	42.7	Very low	106 Å²	106	120.5 Å²	120.5	69%	0.688	65%	0.652	S	S	*	*	S	Bend		-147.9	18.1	85.2	32	-9.4	0	0	0	115.6
195	E	45.7	Very low	43.8	Very low	107 Å²	107	113.3 Å²	113.3	50%	0.5	63%	0.629	S	S	.	*	H	α-helix	trans	-96.2	-25.7	-171.2	-93.7	168.1	125.2	0	0	115.7	R117 V197 A198 L199	R117-E195 IonicContact CZ-OE1 2.82Å; R117-E195 IonicContact CZ-OE2 3.98Å; R117-E195 IonicContact NH1-OE1 3.17Å; R117-E195 PolarHBondContact NH1-OE1 2.87Å; R117-E195 IonicContact NH1-OE2 3.2Å; R117-E195 PolarHBondContact NH1-OE2 3.35Å; R117-E195 IonicContact NH2-OE2 3.75Å; E195-V197 VanDerWaalsContact C-N 3.28Å; E195-V197 PolarHBondContact O-N 2.9Å; E195-A198 PolarHBondContact O-N 2.83Å; E195-L199 PolarHBondContact O-N 2.82Å
196	E	39.6	Very low	44.9	Very low	145 Å²	145	110.8 Å²	110.8	68%	0.678	61%	0.614	S	S	*	*	H	α-helix	trans	-64.3	-36.4	174.5	-86.5	177.8	144.9	0	0	111.6	A198 L199 D200	E196-A198 VanDerWaalsContact C-N 3.31Å; E196-A198 PolarHBondContact O-N 3.34Å; E196-L199 PolarHBondContact O-N 3.32Å; E196-D200 PolarHBondContact O-N 3.43Å; E196-D200 VanDerWaalsContact O-N 3.1Å
197	V	43	Very low	46.3	Very low	86 Å²	86	113.3 Å²	113.3	52%	0.521	61%	0.607	S	S	.	*	H	α-helix	trans	-63.1	-38.5	176.1	-177.7	0	0	0	0	111	E195 E201	E195-V197 VanDerWaalsContact C-N 3.28Å; E195-V197 PolarHBondContact O-N 2.9Å; V197-E201 WeakPolarHBondContact O-CB 3.49Å; V197-E201 VanDerWaalsContact O-CG 3.28Å; V197-E201 WeakPolarHBondContact O-CG 3.38Å; V197-E201 PolarHBondContact O-N 2.94Å
198	A	49.3	Very low	48.6	Very low	46 Å²	46	111.2 Å²	111.2	38%	0.38	59%	0.592	S	S	.	*	H	α-helix	trans	-70.8	-33	-179.3	0	0	0	0	0	112.8	E195 E196 V202	E195-A198 PolarHBondContact O-N 2.83Å; E196-A198 VanDerWaalsContact C-N 3.31Å; E196-A198 PolarHBondContact O-N 3.34Å; A198-V202 VanDerWaalsContact O-CG2 3.32Å; A198-V202 WeakPolarHBondContact O-CG2 3.38Å; A198-V202 PolarHBondContact O-N 2.84Å; A198-V202 VanDerWaalsContact O-N 3.17Å
199	L	43.3	Very low	50.1	Low	96 Å²	96	107 Å²	107	50%	0.503	58%	0.579	S	S	.	*	H	α-helix	trans	-74.5	-39.4	176.4	-171.1	65.8	0	0	0	111.7	V120 E195 E196 E201 V202 L203	V120-L199 HydrophobicContact CG1-CD1 4.07Å; E195-L199 PolarHBondContact O-N 2.82Å; E196-L199 PolarHBondContact O-N 3.32Å; L199-E201 VanDerWaalsContact C-N 3.33Å; L199-V202 PolarHBondContact O-N 3.46Å; L199-L203 WeakPolarHBondContact O-CB 3.41Å; L199-L203 PolarHBondContact O-N 3.47Å
200	D	48.2	Very low	51.7	Low	111 Å²	111	106 Å²	106	59%	0.594	57%	0.568	S	S	*	*	H	α-helix	trans	-64.5	-37.4	173.9	-81.1	-17	0	0	0	111.7	E196 L203 A204	E196-D200 PolarHBondContact O-N 3.43Å; E196-D200 VanDerWaalsContact O-N 3.1Å; D200-L203 PolarHBondContact O-N 3.34Å; D200-A204 VanDerWaalsContact O-CB 3.31Å; D200-A204 WeakPolarHBondContact O-CB 3.49Å; D200-A204 PolarHBondContact O-N 2.98Å
201	E	49.8	Very low	53.6	Low	131 Å²	131	100.8 Å²	100.8	61%	0.612	55%	0.553	S	S	*	*	H	α-helix	trans	-63.2	-42.7	173.3	-79.9	177.1	-177.5	0	0	112.4	V197 L199 A204 A205	V197-E201 WeakPolarHBondContact O-CB 3.49Å; V197-E201 VanDerWaalsContact O-CG 3.28Å; V197-E201 WeakPolarHBondContact O-CG 3.38Å; V197-E201 PolarHBondContact O-N 2.94Å; L199-E201 VanDerWaalsContact C-N 3.33Å; E201-A204 PolarHBondContact O-N 3.44Å; E201-A205 WeakPolarHBondContact O-CB 3.37Å; E201-A205 PolarHBondContact O-N 2.97Å
202	V	52.4	Low	55.4	Low	61 Å²	61	98.1 Å²	98.1	37%	0.37	54%	0.54	S	S	.	.	H	α-helix	trans	-68.4	-39.5	177	171.7	0	0	0	0	111.4	A198 L199 A204 A205 M206	A198-V202 VanDerWaalsContact O-CG2 3.32Å; A198-V202 WeakPolarHBondContact O-CG2 3.38Å; A198-V202 PolarHBondContact O-N 2.84Å; A198-V202 VanDerWaalsContact O-N 3.17Å; L199-V202 PolarHBondContact O-N 3.46Å; V202-A204 VanDerWaalsContact C-N 3.34Å; V202-A205 PolarHBondContact O-N 3.43Å; V202-M206 PolarHBondContact O-N 3.06Å
203	L	53.2	Low	56.4	Low	94 Å²	94	98.7 Å²	98.7	49%	0.492	54%	0.539	S	S	.	.	H	α-helix	trans	-63	-43	175.5	-168.6	80.8	0	0	0	111	L199 D200 M206 Q207	L199-L203 WeakPolarHBondContact O-CB 3.41Å; L199-L203 PolarHBondContact O-N 3.47Å; D200-L203 PolarHBondContact O-N 3.34Å; L203-M206 PolarHBondContact O-N 2.72Å; L203-Q207 VanDerWaalsContact O-CG 3.31Å; L203-Q207 WeakPolarHBondContact O-CG 3.46Å; L203-Q207 PolarHBondContact O-N 3.47Å
204	A	64.6	Low	56.9	Low	52 Å²	52	96.5 Å²	96.5	43%	0.43	52%	0.523	S	S	.	.	H	α-helix	trans	-61.6	-46.1	175.6	0	0	0	0	0	111.4	D200 E201 V202 M206 Q207 E208	D200-A204 VanDerWaalsContact O-CB 3.31Å; D200-A204 WeakPolarHBondContact O-CB 3.49Å; D200-A204 PolarHBondContact O-N 2.98Å; E201-A204 PolarHBondContact O-N 3.44Å; V202-A204 VanDerWaalsContact C-N 3.34Å; A204-M206 PolarHBondContact O-N 3.29Å; A204-Q207 PolarHBondContact O-N 3.48Å; A204-E208 PolarHBondContact O-N 2.97Å
205	A	66.1	Low	58.1	Low	47 Å²	47	95.7 Å²	95.7	39%	0.388	51%	0.51	S	S	.	.	H	α-helix	trans	-62.5	-39.7	177.1	0	0	0	0	0	112.5	E201 V202 E208 V209	E201-A205 WeakPolarHBondContact O-CB 3.37Å; E201-A205 PolarHBondContact O-N 2.97Å; V202-A205 PolarHBondContact O-N 3.43Å; A205-E208 PolarHBondContact O-N 2.91Å; A205-V209 WeakPolarHBondContact O-CG2 3.49Å; A205-V209 PolarHBondContact O-N 3.2Å
206	M	55.2	Low	59	Low	112 Å²	112	94.6 Å²	94.6	55%	0.552	51%	0.505	S	S	*	.	H	α-helix	trans	-66.6	-37.9	175	-80.4	-170.9	70.1	0	0	112.7	V202 L203 A204 E208 K210	V202-M206 PolarHBondContact O-N 3.06Å; L203-M206 PolarHBondContact O-N 2.72Å; A204-M206 PolarHBondContact O-N 3.29Å; M206-E208 VanDerWaalsContact C-N 3.34Å; M206-K210 WeakPolarHBondContact O-CB 3.41Å; M206-K210 PolarHBondContact O-N 2.82Å
207	Q	68.3	Low	59.9	Low	123 Å²	123	92.2 Å²	92.2	58%	0.575	50%	0.496	S	S	*	.	H	α-helix	trans	-67.1	-37.5	175.9	-73.9	178.2	-0.3	0	0	111.7	L203 A204 K210 A211	L203-Q207 VanDerWaalsContact O-CG 3.31Å; L203-Q207 WeakPolarHBondContact O-CG 3.46Å; L203-Q207 PolarHBondContact O-N 3.47Å; A204-Q207 PolarHBondContact O-N 3.48Å; Q207-K210 PolarHBondContact O-N 3.38Å; Q207-A211 WeakPolarHBondContact O-CB 3.43Å; Q207-A211 PolarHBondContact O-N 2.87Å
208	E	77	Confident	60.5	Low	123 Å²	123	92.4 Å²	92.4	58%	0.575	49%	0.49	S	S	*	.	H	α-helix	trans	-62.6	-50.9	173.9	-174.4	170.6	-160.1	0	0	111.3	A204 A205 M206 K210 A211 E212	A204-E208 PolarHBondContact O-N 2.97Å; A205-E208 PolarHBondContact O-N 2.91Å; M206-E208 VanDerWaalsContact C-N 3.34Å; E208-K210 VanDerWaalsContact C-N 3.28Å; E208-K210 PolarHBondContact O-N 2.89Å; E208-A211 WeakPolarHBondContact O-CB 3.21Å; E208-A211 PolarHBondContact O-N 3Å; E208-E212 WeakPolarHBondContact O-CG 3.38Å; E208-E212 PolarHBondContact O-N 3.48Å
209	V	69.1	Low	60.8	Low	88 Å²	88	91.4 Å²	91.4	53%	0.533	48%	0.481	S	S	.	.	H	α-helix	trans	-60.4	-38.1	176.6	172.1	0	0	0	0	111.9	A205 E212 L213	A205-V209 WeakPolarHBondContact O-CG2 3.49Å; A205-V209 PolarHBondContact O-N 3.2Å; V209-E212 PolarHBondContact O-N 3.47Å; V209-L213 WeakPolarHBondContact O-CB 3.36Å; V209-L213 PolarHBondContact O-N 3.42Å
210	K	66	Low	61.4	Low	136 Å²	136	93 Å²	93	59%	0.591	48%	0.48	S	S	*	.	H	α-helix	trans	-64.4	-43.8	174.4	-178.3	-175.2	173.1	-172	0	111.3	M206 Q207 E208 E212 L213 D214	M206-K210 WeakPolarHBondContact O-CB 3.41Å; M206-K210 PolarHBondContact O-N 2.82Å; Q207-K210 PolarHBondContact O-N 3.38Å; E208-K210 VanDerWaalsContact C-N 3.28Å; E208-K210 PolarHBondContact O-N 2.89Å; K210-E212 VanDerWaalsContact C-N 3.35Å; K210-L213 PolarHBondContact O-N 3.29Å; K210-D214 WeakPolarHBondContact O-CB 3.39Å; K210-D214 PolarHBondContact O-N 3.42Å
211	A	69.8	Low	61.9	Low	54 Å²	54	95.2 Å²	95.2	45%	0.446	49%	0.487	S	S	.	.	H	α-helix	trans	-64.1	-40.7	177.9	0	0	0	0	0	111.5	Q207 E208 D214 E215	Q207-A211 WeakPolarHBondContact O-CB 3.43Å; Q207-A211 PolarHBondContact O-N 2.87Å; E208-A211 WeakPolarHBondContact O-CB 3.21Å; E208-A211 PolarHBondContact O-N 3Å; A211-D214 PolarHBondContact O-N 3.35Å; A211-E215 WeakPolarHBondContact O-CB 3.16Å; A211-E215 PolarHBondContact O-N 3.22Å
212	E	71.9	Confident	62.5	Low	120 Å²	120	96.7 Å²	96.7	56%	0.561	49%	0.486	S	S	*	.	H	α-helix	trans	-62.2	-44.1	173.2	-71.9	-176	164.8	0	0	111.9	E208 V209 K210 E215 E216	E208-E212 WeakPolarHBondContact O-CG 3.38Å; E208-E212 PolarHBondContact O-N 3.48Å; V209-E212 PolarHBondContact O-N 3.47Å; K210-E212 VanDerWaalsContact C-N 3.35Å; E212-E215 PolarHBondContact O-N 3.37Å; E212-E216 WeakPolarHBondContact O-CB 3.43Å; E212-E216 PolarHBondContact O-N 3.42Å
213	L	62	Low	63.5	Low	121 Å²	121	100.3 Å²	100.3	63%	0.634	49%	0.494	S	S	*	.	H	α-helix	trans	-66.6	-39.8	177.6	-173.9	64.7	0	0	0	112	V209 K210 E216 L217	V209-L213 WeakPolarHBondContact O-CB 3.36Å; V209-L213 PolarHBondContact O-N 3.42Å; K210-L213 PolarHBondContact O-N 3.29Å; L213-E216 PolarHBondContact O-N 3.14Å; L213-L217 WeakPolarHBondContact O-CB 3.21Å; L213-L217 PolarHBondContact O-N 2.88Å
214	D	59.9	Low	65.3	Low	68 Å²	68	96.9 Å²	96.9	36%	0.364	48%	0.476	S	S	.	.	H	α-helix	trans	-65.8	-40.1	174.9	-84.4	-20.3	0	0	0	111.1	K210 A211 L217 K218	K210-D214 WeakPolarHBondContact O-CB 3.39Å; K210-D214 PolarHBondContact O-N 3.42Å; A211-D214 PolarHBondContact O-N 3.35Å; D214-L217 PolarHBondContact O-N 3Å; D214-K218 WeakPolarHBondContact O-CB 3.39Å; D214-K218 WeakPolarHBondContact O-CG 3.31Å; D214-K218 PolarHBondContact O-N 2.83Å
215	E	66.7	Low	66.6	Low	89 Å²	89	94.8 Å²	94.8	42%	0.416	46%	0.458	S	S	.	.	H	α-helix	trans	-67.6	-37.2	173	-78.6	-52.4	123.8	0	0	112.1	A211 E212 K218 S219 R222	A211-E215 WeakPolarHBondContact O-CB 3.16Å; A211-E215 PolarHBondContact O-N 3.22Å; E212-E215 PolarHBondContact O-N 3.37Å; E215-K218 PolarHBondContact O-N 2.84Å; E215-K218 WeakPolarHBondContact OE1-CD 3.4Å; E215-K218 IonicContact OE1-NZ 2.68Å; E215-K218 PolarHBondContact OE1-NZ 3.11Å; E215-S219 WeakPolarHBondContact O-CB 3.35Å; E215-S219 PolarHBondContact O-N 3.25Å; E215-R222 IonicContact OE2-NH2 3.64Å; E215-R222 PolarHBondContact OE2-NH2 3.49Å
216	E	63	Low	67.8	Low	84 Å²	84	92.6 Å²	92.6	39%	0.393	44%	0.44	S	S	.	.	H	α-helix	trans	-67.4	-34.4	172.1	-98.9	-58.3	113.7	0	0	112.6	E212 L213 S219 R220 R223	E212-E216 WeakPolarHBondContact O-CB 3.43Å; E212-E216 PolarHBondContact O-N 3.42Å; L213-E216 PolarHBondContact O-N 3.14Å; E216-S219 WeakPolarHBondContact CA-OG 3.42Å; E216-S219 PolarHBondContact O-N 3.11Å; E216-S219 PolarHBondContact O-OG 2.91Å; E216-S219 PolarHBondContact OE1-OG 3.22Å; E216-S219 PolarHBondContact OE2-OG 3.15Å; E216-R220 WeakPolarHBondContact O-CB 3.49Å; E216-R220 WeakPolarHBondContact O-CG 3.45Å; E216-R220 PolarHBondContact O-N 3.25Å; E216-R223 IonicContact OE1-NH1 3.6Å; E216-R223 IonicContact OE1-NH2 3.21Å; E216-R223 IonicContact OE2-CZ 3.57Å; E216-R223 IonicContact OE2-NH1 3.33Å; E216-R223 IonicContact OE2-NH2 3.03Å; E216-R223 PolarHBondContact OE2-NH2 3.36Å
217	L	59.2	Low	69.4	Low	94 Å²	94	89.9 Å²	89.9	49%	0.492	44%	0.44	S	S	.	.	H	α-helix	trans	-71.1	-40.3	175.4	-169.5	66.9	0	0	0	111.4	L213 D214 R220 Q221	L213-L217 WeakPolarHBondContact O-CB 3.21Å; L213-L217 PolarHBondContact O-N 2.88Å; D214-L217 PolarHBondContact O-N 3Å; L217-R220 WeakPolarHBondContact O-CB 3.43Å; L217-R220 PolarHBondContact O-N 3.28Å; L217-Q221 PolarHBondContact O-N 3.3Å
218	K	55.2	Low	70.5	Confident	90 Å²	90	84.6 Å²	84.6	39%	0.391	42%	0.416	S	S	.	.	H	α-helix	trans	-68.5	-34.9	172.2	-69.9	172.3	-157.3	163.4	0	111.8	D214 E215 R220 Q221 R222	D214-K218 WeakPolarHBondContact O-CB 3.39Å; D214-K218 WeakPolarHBondContact O-CG 3.31Å; D214-K218 PolarHBondContact O-N 2.83Å; E215-K218 PolarHBondContact O-N 2.84Å; E215-K218 WeakPolarHBondContact OE1-CD 3.4Å; E215-K218 IonicContact OE1-NZ 2.68Å; E215-K218 PolarHBondContact OE1-NZ 3.11Å; K218-R220 VanDerWaalsContact C-N 3.34Å; K218-Q221 PolarHBondContact O-N 3.16Å; K218-R222 WeakPolarHBondContact O-CB 3.5Å; K218-R222 WeakPolarHBondContact O-CG 3.32Å; K218-R222 PolarHBondContact O-N 3.36Å; K218-R222 PolarHBondContact O-NE 2.83Å
219	S	56.2	Low	71.2	Confident	26 Å²	26	86.5 Å²	86.5	18%	0.182	43%	0.425	C	S	.	.	H	α-helix	trans	-65.2	-41.9	174	86.2	0	0	0	0	109.5	E215 E216 Q221 R222 R223	E215-S219 WeakPolarHBondContact O-CB 3.35Å; E215-S219 PolarHBondContact O-N 3.25Å; E216-S219 WeakPolarHBondContact CA-OG 3.42Å; E216-S219 PolarHBondContact O-N 3.11Å; E216-S219 PolarHBondContact O-OG 2.91Å; E216-S219 PolarHBondContact OE1-OG 3.22Å; E216-S219 PolarHBondContact OE2-OG 3.15Å; S219-Q221 VanDerWaalsContact C-N 3.35Å; S219-Q221 PolarHBondContact O-N 3.02Å; S219-R222 CarbonylContact O-C 3.57Å; S219-R222 PolarHBondContact O-N 2.87Å; S219-R222 VanDerWaalsContact O-N 3.14Å; S219-R223 WeakPolarHBondContact O-CG 3.45Å; S219-R223 PolarHBondContact O-N 3.21Å; S219-R223 PolarHBondContact OG-NH1 3.47Å; S219-R223 PolarHBondContact OG-NH2 3.41Å
220	R	56.6	Low	72.4	Confident	129 Å²	129	84 Å²	84	49%	0.487	41%	0.408	S	S	.	.	H	α-helix	trans	-60.9	-37.1	171.6	-74.9	170.2	-178	-155.8	0.7	113.6	E216 L217 K218 R222 R223	E216-R220 WeakPolarHBondContact O-CB 3.49Å; E216-R220 WeakPolarHBondContact O-CG 3.45Å; E216-R220 PolarHBondContact O-N 3.25Å; L217-R220 WeakPolarHBondContact O-CB 3.43Å; L217-R220 PolarHBondContact O-N 3.28Å; K218-R220 VanDerWaalsContact C-N 3.34Å; R220-R222 VanDerWaalsContact C-N 3.34Å; R220-R223 VanDerWaalsContact CG-NH2 3.35Å
221	Q	56.9	Low	73.9	Confident	158 Å²	158	77.5 Å²	77.5	74%	0.738	38%	0.38	S	S	*	.	H	α-helix	trans	-72.4	-27.6	175.1	-76.2	-179.6	-7	0	0	113.1	L217 K218 S219	L217-Q221 PolarHBondContact O-N 3.3Å; K218-Q221 PolarHBondContact O-N 3.16Å; S219-Q221 VanDerWaalsContact C-N 3.35Å; S219-Q221 PolarHBondContact O-N 3.02Å
222	R	62.4	Low	75.2	Confident	161 Å²	161	74.9 Å²	74.9	61%	0.608	36%	0.359	S	S	*	.	H	α-helix	trans	-83.5	-28	176.2	-75.8	-178.1	-90	-155.3	2.8	113.2	E215 K218 S219 R220 L224	E215-R222 IonicContact OE2-NH2 3.64Å; E215-R222 PolarHBondContact OE2-NH2 3.49Å; K218-R222 WeakPolarHBondContact O-CB 3.5Å; K218-R222 WeakPolarHBondContact O-CG 3.32Å; K218-R222 PolarHBondContact O-N 3.36Å; K218-R222 PolarHBondContact O-NE 2.83Å; S219-R222 CarbonylContact O-C 3.57Å; S219-R222 PolarHBondContact O-N 2.87Å; S219-R222 VanDerWaalsContact O-N 3.14Å; R220-R222 VanDerWaalsContact C-N 3.34Å; R222-L224 PolarHBondContact O-N 3.48Å
223	R	75.3	Confident	76.5	Confident	138 Å²	138	71.1 Å²	71.1	52%	0.521	34%	0.342	S	S	.	.	S	Bend	trans	-65.4	125.8	179.8	-80.4	-169	-76.2	-113	4.2	111.6	E216 S219 R220	E216-R223 IonicContact OE1-NH1 3.6Å; E216-R223 IonicContact OE1-NH2 3.21Å; E216-R223 IonicContact OE2-CZ 3.57Å; E216-R223 IonicContact OE2-NH1 3.33Å; E216-R223 IonicContact OE2-NH2 3.03Å; E216-R223 PolarHBondContact OE2-NH2 3.36Å; S219-R223 WeakPolarHBondContact O-CG 3.45Å; S219-R223 PolarHBondContact O-N 3.21Å; S219-R223 PolarHBondContact OG-NH1 3.47Å; S219-R223 PolarHBondContact OG-NH2 3.41Å; R220-R223 VanDerWaalsContact CG-NH2 3.35Å
224	L	90.8	Very high	78.2	Confident	22 Å²	22	65.4 Å²	65.4	12%	0.115	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-71.1	154.3	171.8	-61.4	172.9	0	0	0	110.2	R222 C228 M230 A231 W316	R222-L224 PolarHBondContact O-N 3.48Å; L224-C228 HydrophobicContact CB-CB 4.1Å; L224-C228 WeakPolarHBondContact CB-O 3.08Å; L224-C228 HydrophobicContact CD1-CB 4.4Å; L224-M230 WeakPolarHBondContact CD1-O 3.5Å; L224-A231 HydrophobicContact CD1-CB 3.87Å; L224-A231 HydrophobicContact CD2-CB 3.9Å; L224-W316 HydrophobicContact CD2-CH2 4.34Å; L224-W316 HydrophobicContact CD2-CZ2 3.74Å
225	P	92.1	Very high	80	Confident	8 Å²	8	65.4 Å²	65.4	5%	0.052	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-63.9	156.9	179.5	28.1	-36.3	0	0	0	111.8	G227 C228 W261 W316 T395	P225-G227 PolarHBondContact O-N 3.39Å; P225-G227 VanDerWaalsContact O-N 3.11Å; P225-C228 PolarHBondContact O-N 3.05Å; P225-C228 PolarHBondContact O-SG 3.36Å; P225-W261 HydrophobicContact CB-CD2 3.52Å; P225-W261 HydrophobicContact CB-CE3 3.6Å; P225-W261 HydrophobicContact CB-CG 4.04Å; P225-W261 HydrophobicContact CB-CH2 4.11Å; P225-W261 HydrophobicContact CB-CZ2 4Å; P225-W261 HydrophobicContact CB-CZ3 3.91Å; P225-W261 HydrophobicContact CG-CB 3.78Å; P225-W261 HydrophobicContact CG-CD2 3.54Å; P225-W261 HydrophobicContact CG-CE3 3.7Å; P225-W261 HydrophobicContact CG-CG 3.59Å; P225-W261 HydrophobicContact CG-CZ3 4.47Å; P225-W316 HydrophobicContact CG-CD2 3.82Å; P225-W316 HydrophobicContact CG-CE3 3.94Å; P225-W316 HydrophobicContact CG-CG 4.14Å; P225-W316 HydrophobicContact CG-CZ3 4.4Å; P225-T395 HydrophobicContact CG-CG2 3.8Å
226	A	89.3	Confident	81.3	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.008	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	58	24.1	172.7	0	0	0	0	0	115.3	C228 W261 A414 Q415 G417 Q418 G419 C420	A226-C228 VanDerWaalsContact C-N 3.27Å; A226-C228 PolarHBondContact O-N 2.64Å; A226-W261 HydrophobicContact CB-CZ2 4.38Å; A226-A414 WeakPolarHBondContact CA-O 3.27Å; A226-Q415 PolarHBondContact N-O 2.83Å; A226-G417 CarbonylContact C-O 3.59Å; A226-G417 WeakPolarHBondContact CA-O 3.1Å; A226-Q418 CarbonylContact O-C 3.55Å; A226-G419 PolarHBondContact O-N 3.42Å; A226-G419 VanDerWaalsContact O-N 3.16Å; A226-C420 PolarHBondContact O-N 2.02Å
227	G	88.9	Confident	82.9	Confident	54 Å²	54	65.1 Å²	65.1	56%	0.557	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	71.8	19.5	178	0	0	0	0	0	113.7	P225 G417	P225-G227 PolarHBondContact O-N 3.39Å; P225-G227 VanDerWaalsContact O-N 3.11Å; G227-G417 PolarHBondContact N-O 3Å
228	C	91.8	Very high	84.4	Confident	12 Å²	12	62 Å²	62	8%	0.081	30%	0.3	C	S	.	.			trans	-68.4	142	176.2	-51.7	0	0	0	0	110.9	L224 P225 A226 T395 C420	L224-C228 HydrophobicContact CB-CB 4.1Å; L224-C228 WeakPolarHBondContact CB-O 3.08Å; L224-C228 HydrophobicContact CD1-CB 4.4Å; P225-C228 PolarHBondContact O-N 3.05Å; P225-C228 PolarHBondContact O-SG 3.36Å; A226-C228 VanDerWaalsContact C-N 3.27Å; A226-C228 PolarHBondContact O-N 2.64Å; C228-T395 HydrophobicContact CB-CG2 4.19Å; C228-T395 WeakPolarHBondContact CB-OG1 3.07Å; C228-T395 PolarHBondContact SG-OG1 3.19Å; C228-T395 VanDerWaalsContact SG-OG1 3.39Å; C228-C420 HydrophobicContact CB-CB 3.86Å; C228-C420 WeakPolarHBondContact CB-SG 3.17Å; C228-C420 WeakPolarHBondContact SG-CB 2.76Å; C228-C420 CovalentContact SG-SG 2.02Å; C228-C420 PolarHBondContact SG-SG 2.85Å
229	E	91.3	Very high	86	Confident	163 Å²	163	64.4 Å²	64.4	76%	0.762	31%	0.307	S	S	*	.	S	Bend	trans	-94.2	-16.6	178.8	-63.2	177.3	-179.9	0	0	112.8	Y444	E229-Y444 WeakPolarHBondContact O-CD1 3.47Å
230	M	94.7	Very high	87.6	Confident	35 Å²	35	69.6 Å²	69.6	17%	0.172	32%	0.322	C	S	.	.			trans	-142.4	152.6	-174	59.1	-172.9	-85.7	0	0	111.5	L224 T395 W429 F442 I443 Y444	L224-M230 WeakPolarHBondContact CD1-O 3.5Å; M230-T395 WeakPolarHBondContact O-CB 3.2Å; M230-T395 PolarHBondContact O-OG1 3.01Å; M230-W429 HydrophobicContact CE-CZ2 4.41Å; M230-W429 HydrophobicContact CG-CZ2 4.12Å; M230-W429 WeakPolarHBondContact O-CZ2 2.92Å; M230-W429 PolarHBondContact O-NE1 3.28Å; M230-F442 HydrophobicContact CE-CD1 3.17Å; M230-F442 HydrophobicContact CE-CD2 4.44Å; M230-F442 HydrophobicContact CE-CE1 3.19Å; M230-F442 HydrophobicContact CE-CE2 4.47Å; M230-F442 HydrophobicContact CE-CG 3.82Å; M230-F442 HydrophobicContact CE-CZ 3.88Å; M230-I443 CarbonylContact C-O 3.56Å; M230-I443 VanDerWaalsContact CA-O 3.27Å; M230-I443 WeakPolarHBondContact CA-O 3.43Å; M230-Y444 HydrophobicContact CB-CD1 3.76Å; M230-Y444 HydrophobicContact CB-CE1 3.65Å; M230-Y444 HydrophobicContact SD-CE1 4.48Å
231	A	97.2	Very high	89.3	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	153.5	174	0	0	0	0	0	110.5	L224 M394 F442 I443	L224-A231 HydrophobicContact CD1-CB 3.87Å; L224-A231 HydrophobicContact CD2-CB 3.9Å; A231-M394 CarbonylContact C-O 3.45Å; A231-M394 VanDerWaalsContact CA-O 3.22Å; A231-M394 WeakPolarHBondContact CA-O 3.42Å; A231-M394 WeakPolarHBondContact CB-O 3.26Å; A231-F442 CarbonylContact O-C 3.24Å; A231-F442 WeakPolarHBondContact O-CA 3.49Å; A231-I443 HydrophobicContact CB-CD1 4.38Å; A231-I443 HydrophobicContact CB-CG1 3.98Å; A231-I443 PolarHBondContact N-O 3.12Å; A231-I443 WeakPolarHBondContact O-CG1 3.33Å; A231-I443 PolarHBondContact O-N 3.42Å
232	L	98.2	Very high	91.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	130.3	165.5	-78	163.9	0	0	0	109.8	F234 T243 L359 K393 M394 W429 M434 P436 F442	L232-F234 HydrophobicContact CB-CD2 4.4Å; L232-F234 HydrophobicContact CB-CE2 3.66Å; L232-F234 HydrophobicContact CB-CZ 4.39Å; L232-T243 HydrophobicContact CD1-CG2 3.98Å; L232-T243 HydrophobicContact CD2-CG2 4.3Å; L232-L359 HydrophobicContact CD1-CD1 3.65Å; L232-K393 CarbonylContact O-C 3.58Å; L232-K393 VanDerWaalsContact O-CA 3.25Å; L232-K393 WeakPolarHBondContact O-CA 3.45Å; L232-M394 PolarHBondContact N-O 3.08Å; L232-M394 PolarHBondContact O-N 2.8Å; L232-W429 HydrophobicContact CB-CH2 4.44Å; L232-W429 HydrophobicContact CD1-CH2 3.92Å; L232-W429 HydrophobicContact CD1-CZ3 4Å; L232-W429 HydrophobicContact CG-CH2 3.9Å; L232-W429 HydrophobicContact CG-CZ3 4.48Å; L232-M434 HydrophobicContact CD1-SD 4.4Å; L232-P436 HydrophobicContact CD2-CG 4.04Å; L232-F442 HydrophobicContact CD1-CE1 4.16Å; L232-F442 HydrophobicContact CD2-CD1 3.55Å; L232-F442 HydrophobicContact CD2-CD2 4.36Å; L232-F442 HydrophobicContact CD2-CE1 3.38Å; L232-F442 HydrophobicContact CD2-CE2 4.19Å; L232-F442 HydrophobicContact CD2-CG 4.08Å; L232-F442 HydrophobicContact CD2-CZ 3.72Å; L232-F442 HydrophobicContact CG-CD1 3.8Å; L232-F442 HydrophobicContact CG-CE1 3.5Å; L232-F442 HydrophobicContact CG-CZ 4.22Å
233	L	98.3	Very high	92.8	Very high	40 Å²	40	50.8 Å²	50.8	21%	0.209	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128	172.7	178	65.8	0	0	0	110.4	K393 A440 Q441 I443	L233-K393 HydrophobicContact CD1-CG 3.88Å; L233-A440 WeakPolarHBondContact O-CA 3.44Å; L233-Q441 HydrophobicContact CB-CG 4.33Å; L233-Q441 PolarHBondContact N-O 2.8Å; L233-Q441 PolarHBondContact O-N 2.95Å; L233-I443 HydrophobicContact CB-CD1 4.11Å; L233-I443 HydrophobicContact CB-CG1 4.27Å; L233-I443 HydrophobicContact CB-CG2 3.89Å; L233-I443 HydrophobicContact CD2-CG2 4.09Å
234	F	98.2	Very high	93.7	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	94.6	171	-63.2	-104.2	0	0	0	107.1	L232 M236 I241 L359 F390 A391 G392 M394 A440	L232-F234 HydrophobicContact CB-CD2 4.4Å; L232-F234 HydrophobicContact CB-CE2 3.66Å; L232-F234 HydrophobicContact CB-CZ 4.39Å; F234-M236 VanDerWaalsContact C-N 3.25Å; F234-M236 PolarHBondContact O-N 3.34Å; F234-I241 HydrophobicContact CB-CG2 4.32Å; F234-I241 HydrophobicContact CD1-CG2 3.71Å; F234-I241 HydrophobicContact CG-CG2 4.4Å; F234-L359 HydrophobicContact CZ-CB 4Å; F234-F390 HydrophobicContact CB-CD1 3.81Å; F234-F390 HydrophobicContact CB-CE1 4.22Å; F234-F390 HydrophobicContact CD1-CD1 4.25Å; F234-F390 AromaticContact CD2-CD1 3.58Å; F234-F390 HydrophobicContact CD2-CD1 3.58Å; F234-F390 AromaticContact CD2-CE1 3.71Å; F234-F390 HydrophobicContact CD2-CE1 3.71Å; F234-F390 HydrophobicContact CE2-CD1 4.22Å; F234-F390 HydrophobicContact CE2-CE1 4.4Å; F234-F390 AromaticContact CG-CD1 3.62Å; F234-F390 HydrophobicContact CG-CD1 3.62Å; F234-F390 HydrophobicContact CG-CE1 4.13Å; F234-A391 WeakPolarHBondContact O-CA 3.39Å; F234-G392 PolarHBondContact N-O 3.29Å; F234-G392 PolarHBondContact O-N 3.28Å; F234-M394 HydrophobicContact CD2-CG 3.98Å; F234-M394 HydrophobicContact CD2-SD 3.99Å; F234-M394 HydrophobicContact CE2-CB 4.48Å; F234-M394 HydrophobicContact CE2-CG 3.65Å; F234-M394 HydrophobicContact CE2-SD 3.32Å; F234-M394 WeakPolarHBondContact CE2-SD 3.44Å; F234-M394 HydrophobicContact CZ-SD 3.79Å; F234-A440 HydrophobicContact CD1-CB 4.42Å; F234-A440 HydrophobicContact CE1-CB 4.29Å
235	P	96.8	Very high	94	Very high	68 Å²	68	44.7 Å²	44.7	44%	0.442	23%	0.227	S	C	.	.			trans	-66.6	-27.8	-164.8	24	-33.9	0	0	0	113.3	I241 G439	P235-I241 HydrophobicContact CG-CD1 3.94Å; P235-G439 WeakPolarHBondContact CD-O 3.29Å
236	M	95.9	Very high	94.1	Very high	118 Å²	118	48 Å²	48	58%	0.581	24%	0.243	S	C	*	.	S	Bend	trans	-158.8	166.1	179.3	59.5	-175.9	60.2	0	0	111.2	F234 S238 I241	F234-M236 VanDerWaalsContact C-N 3.25Å; F234-M236 PolarHBondContact O-N 3.34Å; M236-S238 PolarHBondContact O-N 3.17Å; M236-I241 HydrophobicContact CG-CD1 3.72Å; M236-I241 WeakPolarHBondContact O-CD1 3.38Å
237	R	94.8	Very high	94.3	Very high	50 Å²	50	49.2 Å²	49.2	19%	0.189	25%	0.251	C	S	.	.			trans	-74.4	115	174.9	-62.3	-178.7	58.8	97.5	9.9	109.3	F268 T271 P386 K387 A389 A391	R237-F268 VanDerWaalsContact CD-CE2 3.46Å; R237-T271 PolarHBondContact NH1-OG1 3.27Å; R237-P386 PolarHBondContact NE-O 3.43Å; R237-P386 PolarHBondContact NH2-O 3.09Å; R237-K387 VanDerWaalsContact NH2-CA 3.3Å; R237-K387 PolarHBondContact NH2-O 3.01Å; R237-A389 HydrophobicContact CB-CB 3.96Å; R237-A389 HydrophobicContact CG-CB 4.46Å; R237-A389 PolarHBondContact NE-O 3.22Å; R237-A389 PolarHBondContact NH1-O 2.79Å; R237-A389 PolarHBondContact NH2-O 2.68Å; R237-A391 HydrophobicContact CG-CB 3.68Å
238	S	92.1	Very high	94.3	Very high	29 Å²	29	53.1 Å²	53.1	20%	0.203	26%	0.259	C	S	.	.			trans	-146.9	152.9	-176.2	177.7	0	0	0	0	111.6	M236 R240 Q361	M236-S238 PolarHBondContact O-N 3.17Å; S238-R240 PolarHBondContact O-N 3.36Å; S238-R240 PolarHBondContact OG-N 3.28Å; S238-R240 VanDerWaalsContact OG-N 3.11Å; S238-Q361 PolarHBondContact O-NE2 3.08Å
239	R	89.1	Confident	94.3	Very high	140 Å²	140	55.5 Å²	55.5	53%	0.528	27%	0.273	S	S	.	.	S	Bend	trans	-68.6	-18.6	170.4	-59.3	-170.9	179.5	-169.5	-13.6	112.8	F384 P386	R239-F384 HydrophobicContact CB-CB 4.14Å; R239-F384 WeakPolarHBondContact CD-O 3.13Å; R239-F384 WeakPolarHBondContact CG-O 3.34Å; R239-F384 VanDerWaalsContact O-CB 3.26Å; R239-F384 WeakPolarHBondContact O-CB 3.23Å; R239-F384 WeakPolarHBondContact O-CD2 3.37Å; R239-P386 HydrophobicContact CG-CB 3.97Å; R239-P386 VanDerWaalsContact CG-CD 3.48Å; R239-P386 HydrophobicContact CG-CG 3.83Å
240	R	88.5	Confident	94	Very high	135 Å²	135	51.9 Å²	51.9	51%	0.509	26%	0.263	S	S	.	.	S	Bend	trans	-103.8	-16.6	-172.6	-59.8	-178.5	-180	-177.2	-2.5	112.7	S238 H437 G438	S238-R240 PolarHBondContact O-N 3.36Å; S238-R240 PolarHBondContact OG-N 3.28Å; S238-R240 VanDerWaalsContact OG-N 3.11Å; R240-H437 CarbonylContact O-C 3.53Å; R240-G438 VanDerWaalsContact O-CA 3.27Å; R240-G438 WeakPolarHBondContact O-CA 2.97Å; R240-G438 PolarHBondContact O-N 3.44Å
241	I	93.4	Very high	93.7	Very high	8 Å²	8	50.9 Å²	50.9	4%	0.041	26%	0.259	C	S	.	.			trans	-92.8	112.8	-175.5	-62.5	171.9	0	0	0	108.5	F234 P235 M236 H437 G438 A440	F234-I241 HydrophobicContact CB-CG2 4.32Å; F234-I241 HydrophobicContact CD1-CG2 3.71Å; F234-I241 HydrophobicContact CG-CG2 4.4Å; P235-I241 HydrophobicContact CG-CD1 3.94Å; M236-I241 HydrophobicContact CG-CD1 3.72Å; M236-I241 WeakPolarHBondContact O-CD1 3.38Å; I241-H437 WeakPolarHBondContact CA-O 3.46Å; I241-G438 WeakPolarHBondContact CG1-O 3.19Å; I241-A440 HydrophobicContact CG2-CB 3.92Å
242	Y	95	Very high	93.4	Very high	44 Å²	44	53.6 Å²	53.6	17%	0.173	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	173.7	172.7	66.9	-82.3	0	0	0	109	A244 L359 F384 H437 A440	Y242-A244 HydrophobicContact CE2-CB 4.33Å; Y242-L359 WeakPolarHBondContact CA-O 3.13Å; Y242-F384 HydrophobicContact CD1-CD2 4.41Å; Y242-F384 AromaticContact CD1-CE2 3.85Å; Y242-F384 HydrophobicContact CD1-CE2 3.85Å; Y242-F384 HydrophobicContact CD1-CZ 4.29Å; Y242-F384 HydrophobicContact CE1-CD2 4.48Å; Y242-F384 AromaticContact CE1-CE2 3.7Å; Y242-F384 HydrophobicContact CE1-CE2 3.7Å; Y242-F384 HydrophobicContact CE1-CZ 4.29Å; Y242-F384 HydrophobicContact CG-CE2 4.46Å; Y242-F384 HydrophobicContact CG-CZ 4.47Å; Y242-H437 HydrophobicContact CD1-CB 3.91Å; Y242-H437 AromaticContact CD2-CD2 3.98Å; Y242-H437 HydrophobicContact CE1-CB 3.6Å; Y242-H437 AromaticContact CE1-CG 3.99Å; Y242-H437 HydrophobicContact CE2-CB 4.23Å; Y242-H437 AromaticContact CE2-CD2 3.38Å; Y242-H437 WeakPolarHBondContact CE2-CD2 3.45Å; Y242-H437 AromaticContact CE2-CG 3.92Å; Y242-H437 HydrophobicContact CG-CB 4.35Å; Y242-H437 AromaticContact CZ-CD2 3.56Å; Y242-H437 AromaticContact CZ-CG 3.62Å; Y242-H437 PolarHBondContact O-N 3.12Å; Y242-A440 WeakPolarHBondContact O-CB 3.14Å
243	T	96.9	Very high	93.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	121.9	170.1	-57.3	0	0	0	0	108.6	L232 Q358 L359 M434 V435 P436	L232-T243 HydrophobicContact CD1-CG2 3.98Å; L232-T243 HydrophobicContact CD2-CG2 4.3Å; T243-Q358 CarbonylContact O-C 3.57Å; T243-Q358 VanDerWaalsContact O-CA 3.23Å; T243-Q358 WeakPolarHBondContact O-CA 3.37Å; T243-L359 PolarHBondContact N-O 2.91Å; T243-L359 VanDerWaalsContact N-O 3.12Å; T243-L359 PolarHBondContact O-N 3.31Å; T243-M434 HydrophobicContact CG2-CB 3.98Å; T243-V435 CarbonylContact C-O 3.5Å; T243-V435 WeakPolarHBondContact CA-O 3.39Å; T243-P436 HydrophobicContact CG2-CG 4.47Å
244	A	95.1	Very high	93.2	Very high	25 Å²	25	55.7 Å²	55.7	21%	0.207	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	137.3	173.1	0	0	0	0	0	109.1	Y242 M434 V435	Y242-A244 HydrophobicContact CE2-CB 4.33Å; A244-M434 CarbonylContact O-C 3.46Å; A244-M434 WeakPolarHBondContact O-CA 3.39Å; A244-V435 HydrophobicContact CB-CB 4.49Å; A244-V435 PolarHBondContact N-O 3.07Å; A244-V435 PolarHBondContact O-N 3.26Å
245	I	96.1	Very high	93.1	Very high	8 Å²	8	56.4 Å²	56.4	4%	0.041	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	132	172	-54.8	174.6	0	0	0	107.1	P247 F274 L357 L359 V397 V427 T432 M434	I245-P247 HydrophobicContact CG2-CG 4.25Å; I245-P247 WeakPolarHBondContact O-CD 3.28Å; I245-F274 HydrophobicContact CD1-CE2 4.34Å; I245-L357 HydrophobicContact CB-CB 4.1Å; I245-L357 HydrophobicContact CB-CD2 3.93Å; I245-L357 HydrophobicContact CB-CG 4.13Å; I245-L357 HydrophobicContact CD1-CD2 3.82Å; I245-L357 HydrophobicContact CD1-CG 4.03Å; I245-L357 HydrophobicContact CG1-CD2 4.45Å; I245-L357 HydrophobicContact CG2-CD2 3.93Å; I245-L357 PolarHBondContact N-O 2.78Å; I245-L359 HydrophobicContact CD1-CD1 4.07Å; I245-L359 HydrophobicContact CD1-CD2 3.85Å; I245-L359 HydrophobicContact CD1-CG 3.74Å; I245-L359 HydrophobicContact CG1-CD1 4.45Å; I245-L359 HydrophobicContact CG1-CG 4.21Å; I245-V397 HydrophobicContact CD1-CG1 4.45Å; I245-V427 HydrophobicContact CD1-CG1 4.48Å; I245-V427 HydrophobicContact CG2-CG1 3.98Å; I245-V427 HydrophobicContact CG2-CG2 3.9Å; I245-T432 HydrophobicContact CG2-CG2 3.85Å; I245-M434 HydrophobicContact CG1-CG 4.21Å; I245-M434 HydrophobicContact CG2-CG 4.45Å
246	I	95.2	Very high	93.2	Very high	77 Å²	77	53.1 Å²	53.1	40%	0.395	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	91.3	178.6	-55	172	0	0	0	107.4	T432 E433 V435	I246-T432 VanDerWaalsContact O-CG2 3.29Å; I246-T432 WeakPolarHBondContact O-CG2 3.24Å; I246-E433 HydrophobicContact CB-CB 4.24Å; I246-E433 HydrophobicContact CD1-CG 4.22Å; I246-E433 PolarHBondContact N-O 3.31Å; I246-V435 HydrophobicContact CD1-CG2 3.94Å
247	P	93.6	Very high	93.3	Very high	27 Å²	27	47.5 Å²	47.5	18%	0.175	26%	0.255	C	S	.	.			trans	-68.5	142.3	175.2	-23.2	38.1	0	0	0	111.5	I245 V249 L251 L357 V426 V427	I245-P247 HydrophobicContact CG2-CG 4.25Å; I245-P247 WeakPolarHBondContact O-CD 3.28Å; P247-V249 PolarHBondContact O-N 3.32Å; P247-L251 HydrophobicContact CB-CD1 4.46Å; P247-L251 HydrophobicContact CG-CD1 4.06Å; P247-L357 HydrophobicContact CG-CD2 4.29Å; P247-V426 HydrophobicContact CB-CG1 4.42Å; P247-V427 HydrophobicContact CG-CG2 4.18Å
248	D	88.8	Confident	93.5	Very high	135 Å²	135	45.1 Å²	45.1	72%	0.722	25%	0.246	S	C	*	.	S	Bend	trans	-74.3	-11.9	174.7	-61.8	-49.3	0	0	0	112.7
249	V	90.1	Very high	93.8	Very high	63 Å²	63	43.8 Å²	43.8	38%	0.382	24%	0.237	S	C	.	.	S	Bend	trans	-118.6	143.8	-178.4	-61.4	0	0	0	0	111.5	P247 V426	P247-V249 PolarHBondContact O-N 3.32Å; V249-V426 HydrophobicContact CG2-CB 4.22Å; V249-V426 HydrophobicContact CG2-CG1 4.04Å; V249-V426 HydrophobicContact CG2-CG2 4.25Å
250	P	86.9	Confident	94.3	Very high	86 Å²	86	37.1 Å²	37.1	56%	0.558	21%	0.211	S	C	*	.			trans	-63.6	143.5	174.2	-20.2	32.1	0	0	0	112.5	A252 E353	P250-A252 PolarHBondContact O-N 3.43Å; P250-A252 VanDerWaalsContact O-N 3.11Å; P250-E353 HydrophobicContact CB-CG 4.19Å
251	L	87	Confident	94.7	Very high	15 Å²	15	31.1 Å²	31.1	8%	0.079	19%	0.189	C	C	.	.			trans	-83.9	34.7	178.4	-66.3	89.9	0	0	0	113.8	P247 L253 Y276 L351 M399 V426	P247-L251 HydrophobicContact CB-CD1 4.46Å; P247-L251 HydrophobicContact CG-CD1 4.06Å; L251-L253 PolarHBondContact O-N 3.3Å; L251-Y276 HydrophobicContact CB-CE2 4.24Å; L251-Y276 HydrophobicContact CD1-CE2 4.12Å; L251-Y276 HydrophobicContact CD2-CD2 3.76Å; L251-Y276 HydrophobicContact CD2-CE2 3.69Å; L251-Y276 HydrophobicContact CD2-CG 4.26Å; L251-Y276 HydrophobicContact CG-CE2 4.24Å; L251-L351 VanDerWaalsContact O-CB 3.3Å; L251-L351 WeakPolarHBondContact O-CB 3.33Å; L251-M399 HydrophobicContact CD2-CE 4.35Å; L251-M399 HydrophobicContact CD2-SD 4.39Å; L251-V426 HydrophobicContact CG-CG1 4.37Å
252	A	91.8	Very high	95	Very high	56 Å²	56	30.8 Å²	30.8	46%	0.463	19%	0.187	S	C	.	.			trans	-74.4	69.7	172.7	0	0	0	0	0	111.6	P250 L351 E353	P250-A252 PolarHBondContact O-N 3.43Å; P250-A252 VanDerWaalsContact O-N 3.11Å; A252-L351 WeakPolarHBondContact CA-O 3.33Å; A252-E353 HydrophobicContact CB-CG 3.65Å; A252-E353 WeakPolarHBondContact CB-OE1 3.44Å
253	L	94.8	Very high	95.1	Very high	18 Å²	18	32 Å²	32	9%	0.094	19%	0.193	C	C	.	.			trans	-112.9	134.9	-167.7	-56.7	177.1	0	0	0	112	L251 F256 L351 M399 D401 V426	L251-L253 PolarHBondContact O-N 3.3Å; L253-F256 HydrophobicContact CD1-CB 4.21Å; L253-L351 HydrophobicContact CB-CB 4.45Å; L253-L351 HydrophobicContact CB-CD1 3.98Å; L253-L351 WeakPolarHBondContact O-CB 3.49Å; L253-L351 PolarHBondContact O-N 2.94Å; L253-M399 HydrophobicContact CD1-CE 3.69Å; L253-D401 HydrophobicContact CD2-CB 3.58Å; L253-V426 HydrophobicContact CD1-CG2 4.01Å; L253-V426 HydrophobicContact CD2-CG2 4.49Å
254	S	96.3	Very high	95.1	Very high	66 Å²	66	32 Å²	32	46%	0.462	19%	0.193	S	C	.	.	S	Bend	trans	-98.7	-7.6	170.6	62.1	0	0	0	0	112.9	W323 S325 N350	S254-W323 WeakPolarHBondContact O-CZ3 3.24Å; S254-S325 WeakPolarHBondContact O-CB 3.37Å; S254-S325 PolarHBondContact O-N 3.25Å; S254-N350 WeakPolarHBondContact CB-OD1 3.34Å
255	A	97.8	Very high	95.2	Very high	16 Å²	16	35.8 Å²	35.8	13%	0.132	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	152.7	173.9	0	0	0	0	0	109	W323 D401 V403	A255-W323 CarbonylContact C-O 3.52Å; A255-W323 VanDerWaalsContact CA-O 3.22Å; A255-W323 WeakPolarHBondContact CA-O 3.18Å; A255-D401 CarbonylContact O-C 3.48Å; A255-D401 VanDerWaalsContact O-C 3.27Å; A255-V403 HydrophobicContact CB-CG2 4.29Å
256	F	98.3	Very high	95	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	164.6	174	64.2	-89	0	0	0	112.2	L253 I285 F296 V298 A322 W323 L351 M399 W400 T402	L253-F256 HydrophobicContact CD1-CB 4.21Å; F256-I285 HydrophobicContact CE1-CD1 3.99Å; F256-I285 HydrophobicContact CE1-CG1 4.36Å; F256-I285 HydrophobicContact CE2-CD1 4.1Å; F256-I285 HydrophobicContact CE2-CG2 3.92Å; F256-I285 HydrophobicContact CZ-CD1 3.7Å; F256-I285 HydrophobicContact CZ-CG1 3.91Å; F256-I285 HydrophobicContact CZ-CG2 3.81Å; F256-F296 HydrophobicContact CE2-CE2 4.06Å; F256-F296 AromaticContact CE2-CZ 3.64Å; F256-F296 HydrophobicContact CE2-CZ 3.64Å; F256-F296 HydrophobicContact CZ-CE2 4.35Å; F256-F296 AromaticContact CZ-CZ 3.78Å; F256-F296 HydrophobicContact CZ-CZ 3.78Å; F256-V298 HydrophobicContact CE1-CG1 4.2Å; F256-V298 HydrophobicContact CE1-CG2 4.34Å; F256-V298 HydrophobicContact CZ-CG1 4.32Å; F256-V298 HydrophobicContact CZ-CG2 3.75Å; F256-A322 WeakPolarHBondContact O-CA 3.43Å; F256-W323 AromaticContact CD1-CE3 3.65Å; F256-W323 HydrophobicContact CD1-CE3 3.65Å; F256-W323 HydrophobicContact CD1-CZ3 4.24Å; F256-W323 HydrophobicContact CE1-CB 4.06Å; F256-W323 HydrophobicContact CE1-CD2 4.08Å; F256-W323 AromaticContact CE1-CE3 3.4Å; F256-W323 HydrophobicContact CE1-CE3 3.4Å; F256-W323 VanDerWaalsContact CE1-CE3 3.4Å; F256-W323 HydrophobicContact CE1-CG 4.4Å; F256-W323 HydrophobicContact CE1-CZ3 4.09Å; F256-W323 HydrophobicContact CZ-CB 4.14Å; F256-W323 HydrophobicContact CZ-CE3 4.48Å; F256-W323 PolarHBondContact N-O 2.88Å; F256-W323 PolarHBondContact O-N 3.09Å; F256-L351 HydrophobicContact CD1-CD1 3.49Å; F256-L351 VanDerWaalsContact CD1-CD1 3.49Å; F256-L351 HydrophobicContact CE1-CD1 3.5Å; F256-L351 VanDerWaalsContact CE1-CD1 3.5Å; F256-L351 HydrophobicContact CE1-CG 4.41Å; F256-L351 HydrophobicContact CG-CD1 4.46Å; F256-L351 HydrophobicContact CZ-CD1 4.45Å; F256-M399 HydrophobicContact CB-CE 3.74Å; F256-M399 HydrophobicContact CD1-CE 4.49Å; F256-M399 HydrophobicContact CD2-CE 3.82Å; F256-M399 HydrophobicContact CG-CE 3.78Å; F256-W400 CarbonylContact C-O 3.51Å; F256-W400 WeakPolarHBondContact CA-O 3.36Å; F256-W400 WeakPolarHBondContact CB-O 3.5Å; F256-T402 CarbonylContact C-O 3.41Å; F256-T402 VanDerWaalsContact C-O 3.24Å
257	T	98.8	Very high	94.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	133.8	166.1	-55.5	0	0	0	0	108.8	G321 A322 M399 W400 T402 V403 L404	T257-G321 CarbonylContact C-O 3.51Å; T257-G321 WeakPolarHBondContact CA-O 3.49Å; T257-A322 HydrophobicContact CG2-CB 4.09Å; T257-M399 CarbonylContact O-C 3.52Å; T257-M399 VanDerWaalsContact O-CA 3.23Å; T257-M399 WeakPolarHBondContact O-CA 3.34Å; T257-W400 PolarHBondContact N-O 3.24Å; T257-W400 PolarHBondContact O-N 2.86Å; T257-T402 WeakPolarHBondContact CB-O 3.38Å; T257-T402 PolarHBondContact N-O 3.33Å; T257-T402 VanDerWaalsContact N-O 3.09Å; T257-T402 PolarHBondContact OG1-O 3.47Å; T257-V403 WeakPolarHBondContact OG1-CA 3.26Å; T257-L404 HydrophobicContact CG2-CB 4.21Å; T257-L404 HydrophobicContact CG2-CD1 3.9Å; T257-L404 HydrophobicContact CG2-CG 3.94Å; T257-L404 PolarHBondContact OG1-N 2.96Å
258	V	98.6	Very high	94.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	131.8	169.9	60.4	0	0	0	0	108.6	M260 F274 F296 C320 G321 N398	V258-M260 HydrophobicContact CG2-CE 3.75Å; V258-F274 HydrophobicContact CB-CZ 4.49Å; V258-F274 HydrophobicContact CG2-CD1 4.39Å; V258-F274 HydrophobicContact CG2-CD2 3.95Å; V258-F274 HydrophobicContact CG2-CE1 4.22Å; V258-F274 HydrophobicContact CG2-CE2 3.76Å; V258-F274 HydrophobicContact CG2-CG 4.25Å; V258-F274 HydrophobicContact CG2-CZ 3.88Å; V258-F296 HydrophobicContact CG1-CE2 4.32Å; V258-C320 CarbonylContact O-C 3.56Å; V258-C320 WeakPolarHBondContact O-CA 3.39Å; V258-C320 WeakPolarHBondContact O-CB 3.46Å; V258-G321 PolarHBondContact N-O 3.28Å; V258-G321 PolarHBondContact O-N 3.01Å; V258-N398 CarbonylContact C-O 3.53Å; V258-N398 WeakPolarHBondContact CA-O 3.37Å
259	C	98.7	Very high	95.1	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.007	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146.2	176.7	-69.6	0	0	0	0	110.9	L319 C320 V397 N398 W400 L412	C259-L319 CarbonylContact C-O 3.54Å; C259-L319 VanDerWaalsContact CA-O 3.32Å; C259-L319 WeakPolarHBondContact CA-O 3.35Å; C259-C320 HydrophobicContact CB-CB 4.11Å; C259-C320 WeakPolarHBondContact CB-SG 3.33Å; C259-C320 WeakPolarHBondContact SG-CB 3.35Å; C259-C320 CovalentContact SG-SG 2.04Å; C259-C320 PolarHBondContact SG-SG 2.93Å; C259-V397 WeakPolarHBondContact O-CA 3.17Å; C259-N398 PolarHBondContact N-O 3.2Å; C259-N398 PolarHBondContact O-N 3.26Å; C259-W400 HydrophobicContact CB-CZ3 4.02Å; C259-L412 HydrophobicContact CB-CD1 4.24Å
260	M	98.4	Very high	95.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	153.4	174.8	61.4	-167.2	71.6	0	0	112	V258 V262 L273 F274 L287 H318 L319 M394 V397	V258-M260 HydrophobicContact CG2-CE 3.75Å; M260-V262 HydrophobicContact CG-CG1 3.94Å; M260-V262 HydrophobicContact SD-CG1 4.01Å; M260-L273 HydrophobicContact SD-CB 3.96Å; M260-L273 HydrophobicContact SD-CD1 4.4Å; M260-F274 HydrophobicContact CE-CB 3.55Å; M260-F274 HydrophobicContact CE-CD2 3.98Å; M260-F274 HydrophobicContact CE-CG 4.01Å; M260-F274 HydrophobicContact SD-CB 4.42Å; M260-L287 HydrophobicContact CE-CD2 3.71Å; M260-L287 HydrophobicContact CG-CD2 4.28Å; M260-L287 HydrophobicContact SD-CD2 3.93Å; M260-H318 WeakPolarHBondContact O-CA 3.33Å; M260-L319 PolarHBondContact N-O 2.76Å; M260-L319 PolarHBondContact O-N 3.25Å; M260-M394 HydrophobicContact SD-CE 4.04Å; M260-V397 HydrophobicContact CB-CB 4.47Å; M260-V397 HydrophobicContact CB-CG2 3.93Å; M260-V397 HydrophobicContact CE-CG1 4.5Å
261	W	98.2	Very high	95.8	Very high	9 Å²	9	32.5 Å²	32.5	3%	0.034	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.5	162.5	-73.6	90.9	0	0	0	109.7	P225 A226 W316 I317 H318 M394 T395 L412 A413 Q415	P225-W261 HydrophobicContact CB-CD2 3.52Å; P225-W261 HydrophobicContact CB-CE3 3.6Å; P225-W261 HydrophobicContact CB-CG 4.04Å; P225-W261 HydrophobicContact CB-CH2 4.11Å; P225-W261 HydrophobicContact CB-CZ2 4Å; P225-W261 HydrophobicContact CB-CZ3 3.91Å; P225-W261 HydrophobicContact CG-CB 3.78Å; P225-W261 HydrophobicContact CG-CD2 3.54Å; P225-W261 HydrophobicContact CG-CE3 3.7Å; P225-W261 HydrophobicContact CG-CG 3.59Å; P225-W261 HydrophobicContact CG-CZ3 4.47Å; A226-W261 HydrophobicContact CB-CZ2 4.38Å; W261-W316 HydrophobicContact CB-CE3 4Å; W261-W316 HydrophobicContact CB-CZ3 4.09Å; W261-W316 HydrophobicContact CE3-CB 4.12Å; W261-W316 HydrophobicContact CZ3-CB 4.31Å; W261-I317 WeakPolarHBondContact CA-O 3.22Å; W261-H318 AromaticContact CD1-CD2 3.7Å; W261-H318 HydrophobicContact CD2-CB 3.82Å; W261-H318 AromaticContact CE2-CD2 3.64Å; W261-H318 AromaticContact CE2-CG 3.99Å; W261-H318 HydrophobicContact CE3-CB 3.84Å; W261-H318 HydrophobicContact CH2-CB 3.77Å; W261-H318 HydrophobicContact CZ2-CB 3.78Å; W261-H318 HydrophobicContact CZ3-CB 3.81Å; W261-H318 AromaticContact NE1-CD2 3.36Å; W261-H318 PolarHBondContact NE1-CD2 2.91Å; W261-M394 CarbonylContact O-C 3.57Å; W261-M394 VanDerWaalsContact O-CA 3.25Å; W261-M394 WeakPolarHBondContact O-CA 3.34Å; W261-T395 HydrophobicContact CB-CG2 3.69Å; W261-T395 WeakPolarHBondContact CB-O 3.18Å; W261-T395 HydrophobicContact CG-CG2 4.39Å; W261-T395 PolarHBondContact N-O 2.94Å; W261-T395 PolarHBondContact O-N 2.94Å; W261-L412 PolarHBondContact NE1-O 3.49Å; W261-A413 VanDerWaalsContact CH2-O 3.24Å; W261-A413 WeakPolarHBondContact CH2-O 2.95Å; W261-A413 VanDerWaalsContact CZ2-C 3.47Å; W261-A413 WeakPolarHBondContact CZ2-O 3.22Å; W261-Q415 HydrophobicContact CH2-CB 4.37Å; W261-Q415 HydrophobicContact CH2-CG 3.42Å; W261-Q415 VanDerWaalsContact CH2-CG 3.42Å; W261-Q415 HydrophobicContact CZ2-CG 4.33Å; W261-Q415 HydrophobicContact CZ3-CG 3.92Å
262	V	98.3	Very high	96.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145	175.4	-61.2	0	0	0	0	111.2	M260 L273 W316 I317 L319 F390 K393 M394	M260-V262 HydrophobicContact CG-CG1 3.94Å; M260-V262 HydrophobicContact SD-CG1 4.01Å; V262-L273 HydrophobicContact CG1-CD1 4.16Å; V262-L273 HydrophobicContact CG1-CD2 4.36Å; V262-L273 HydrophobicContact CG2-CD1 4.02Å; V262-W316 CarbonylContact O-C 3Å; V262-W316 WeakPolarHBondContact O-CA 3.19Å; V262-I317 HydrophobicContact CG2-CG2 3.42Å; V262-I317 VanDerWaalsContact CG2-CG2 3.42Å; V262-I317 PolarHBondContact N-O 3.27Å; V262-I317 WeakPolarHBondContact O-CG2 3.25Å; V262-I317 PolarHBondContact O-N 2.85Å; V262-L319 HydrophobicContact CG2-CD1 3.99Å; V262-F390 HydrophobicContact CB-CZ 4.49Å; V262-K393 CarbonylContact C-O 3.44Å; V262-K393 WeakPolarHBondContact CA-O 3.24Å; V262-M394 HydrophobicContact CG1-CB 4.31Å; V262-M394 HydrophobicContact CG1-CE 3.43Å; V262-M394 VanDerWaalsContact CG1-CE 3.43Å; V262-M394 HydrophobicContact CG1-CG 4.19Å
263	K	97.7	Very high	96.6	Very high	71 Å²	71	29.1 Å²	29.1	31%	0.309	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	88.2	172	174.8	164.9	166.7	146.8	0	107.9	G314 Q315 W316 G392 K393	K263-G314 WeakPolarHBondContact CE-O 3.47Å; K263-G314 PolarHBondContact NZ-O 2.91Å; K263-Q315 WeakPolarHBondContact CA-O 3.4Å; K263-W316 HydrophobicContact CB-CD2 3.55Å; K263-W316 HydrophobicContact CB-CE3 3.54Å; K263-W316 HydrophobicContact CB-CG 4.13Å; K263-W316 HydrophobicContact CB-CH2 4.11Å; K263-W316 HydrophobicContact CB-CZ2 4.13Å; K263-W316 HydrophobicContact CB-CZ3 3.83Å; K263-W316 HydrophobicContact CD-CD2 4.09Å; K263-W316 HydrophobicContact CD-CG 4.15Å; K263-W316 HydrophobicContact CD-CZ2 4.34Å; K263-W316 HydrophobicContact CG-CD2 4.43Å; K263-G392 CarbonylContact O-C 3.56Å; K263-G392 VanDerWaalsContact O-CA 3.26Å; K263-G392 WeakPolarHBondContact O-CA 3.47Å; K263-K393 HydrophobicContact CB-CB 4.38Å; K263-K393 PolarHBondContact N-O 2.63Å; K263-K393 PolarHBondContact O-N 3.09Å
264	P	97.5	Very high	96.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	137.5	-178.3	26.4	-31.3	0	0	0	110.7	V267 L289 V311 P313 G314 F390	P264-V267 HydrophobicContact CB-CG2 3.55Å; P264-V267 HydrophobicContact CG-CG2 3.79Å; P264-L289 HydrophobicContact CB-CD1 4.05Å; P264-L289 HydrophobicContact CG-CD1 3.97Å; P264-V311 HydrophobicContact CG-CG1 4.11Å; P264-P313 CarbonylContact O-C 3.49Å; P264-P313 WeakPolarHBondContact O-CA 3.32Å; P264-G314 PolarHBondContact O-N 3.07Å; P264-F390 HydrophobicContact CB-CE2 3.93Å
265	T	96.7	Very high	96.6	Very high	103 Å²	103	25.1 Å²	25.1	63%	0.632	13%	0.134	S	C	*	.	S	Bend	trans	-82.2	-35	170.6	-55.2	0	0	0	0	111	A391 G392	T265-A391 PolarHBondContact N-O 3.36Å; T265-G392 WeakPolarHBondContact OG1-CA 3.37Å
266	S	92.3	Very high	96.4	Very high	37 Å²	37	24.4 Å²	24.4	26%	0.259	13%	0.128	S	C	.	.			trans	-146.7	147	175.6	52.9	0	0	0	0	109.9
267	V	92.9	Very high	96	Very high	26 Å²	26	24.4 Å²	24.4	16%	0.158	13%	0.128	C	C	.	.			trans	-132.3	131	-180	-173.7	0	0	0	0	108.7	P264 L289 Q291 V311 P313	P264-V267 HydrophobicContact CB-CG2 3.55Å; P264-V267 HydrophobicContact CG-CG2 3.79Å; V267-L289 HydrophobicContact CG1-CB 3.55Å; V267-L289 HydrophobicContact CG1-CD1 4.39Å; V267-L289 HydrophobicContact CG2-CD1 3.96Å; V267-Q291 WeakPolarHBondContact CG1-O 3.03Å; V267-V311 HydrophobicContact CG2-CG1 3.88Å; V267-P313 HydrophobicContact CG2-CG 4.43Å
268	F	93.7	Very high	95.3	Very high	109 Å²	109	26.1 Å²	26.1	48%	0.478	14%	0.135	S	C	.	.			trans	-118.7	-168.9	-178.9	-67.5	-94.6	0	0	0	110.4	R237 K270 T271 A290 Q291	R237-F268 VanDerWaalsContact CD-CE2 3.46Å; F268-K270 VanDerWaalsContact C-N 3.27Å; F268-K270 PolarHBondContact O-N 2.76Å; F268-T271 PolarHBondContact N-OG1 2.95Å; F268-A290 WeakPolarHBondContact O-CA 3.48Å; F268-Q291 PolarHBondContact O-N 2.79Å
269	N	93.5	Very high	94.4	Very high	120 Å²	120	34 Å²	34	64%	0.642	17%	0.165	S	C	*	.	S	Bend	trans	-56.6	-37	-177.9	-68.6	-17.4	0	0	0	113.9	A290 Q291	N269-A290 WeakPolarHBondContact O-CA 3.23Å; N269-A290 WeakPolarHBondContact O-CB 3.48Å; N269-Q291 PolarHBondContact OD1-NE2 3.48Å
270	K	94.7	Very high	93.5	Very high	36 Å²	36	45 Å²	45	16%	0.157	21%	0.207	C	C	.	.			trans	-142.8	117.3	173.6	-169.9	175.9	178.2	-173	0	108.1	F268 L288 L289 E301 E362 L388	F268-K270 VanDerWaalsContact C-N 3.27Å; F268-K270 PolarHBondContact O-N 2.76Å; K270-L288 HydrophobicContact CD-CD2 4.37Å; K270-L288 HydrophobicContact CG-CD1 4.3Å; K270-L288 HydrophobicContact CG-CD2 4.03Å; K270-L289 CarbonylContact C-O 3.37Å; K270-E301 WeakPolarHBondContact CE-OE1 3.45Å; K270-E301 IonicContact NZ-OE1 2.94Å; K270-E301 PolarHBondContact NZ-OE1 2.85Å; K270-E301 IonicContact NZ-OE2 3.94Å; K270-E301 PolarHBondContact NZ-OE2 3.45Å; K270-E362 IonicContact NZ-OE1 3.8Å; K270-E362 PolarHBondContact NZ-OE1 2.96Å; K270-L388 HydrophobicContact CB-CD2 3.78Å; K270-L388 HydrophobicContact CD-CD2 3.69Å; K270-L388 HydrophobicContact CG-CD2 3.78Å
271	T	96.8	Very high	92.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	105.3	179.4	-56.5	0	0	0	0	108.4	R237 F268 L288 L289 L388 F390	R237-T271 PolarHBondContact NH1-OG1 3.27Å; F268-T271 PolarHBondContact N-OG1 2.95Å; T271-L288 CarbonylContact O-C 3.27Å; T271-L288 VanDerWaalsContact O-CA 3.26Å; T271-L288 WeakPolarHBondContact O-CA 3.39Å; T271-L288 WeakPolarHBondContact O-CB 3.41Å; T271-L289 PolarHBondContact N-O 3.26Å; T271-L289 PolarHBondContact O-N 3.23Å; T271-L388 CarbonylContact C-O 3.47Å; T271-L388 WeakPolarHBondContact CA-O 3.33Å; T271-F390 HydrophobicContact CG2-CB 4.26Å; T271-F390 HydrophobicContact CG2-CD2 4.1Å
272	V	96.2	Very high	92	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	123.8	-172.1	179	0	0	0	0	110	G360 Q361 E362 L388 F390	V272-G360 CarbonylContact O-C 3.48Å; V272-G360 WeakPolarHBondContact O-CA 3.21Å; V272-Q361 WeakPolarHBondContact CG1-O 3.42Å; V272-E362 HydrophobicContact CG2-CB 4.17Å; V272-L388 HydrophobicContact CG2-CB 4.23Å; V272-L388 PolarHBondContact N-O 3.41Å; V272-F390 WeakPolarHBondContact O-CB 3.46Å
273	L	98	Very high	91.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-48.6	176.5	-55.9	179	0	0	0	110.4	M260 V262 L287 L289 L319 L359 G360 F390 M394	M260-L273 HydrophobicContact SD-CB 3.96Å; M260-L273 HydrophobicContact SD-CD1 4.4Å; V262-L273 HydrophobicContact CG1-CD1 4.16Å; V262-L273 HydrophobicContact CG1-CD2 4.36Å; V262-L273 HydrophobicContact CG2-CD1 4.02Å; L273-L287 WeakPolarHBondContact CB-O 3.35Å; L273-L287 PolarHBondContact N-O 3.24Å; L273-L289 HydrophobicContact CD1-CD1 4.29Å; L273-L289 HydrophobicContact CD1-CD2 3.69Å; L273-L289 HydrophobicContact CD1-CG 3.76Å; L273-L289 HydrophobicContact CD2-CD1 4.03Å; L273-L289 HydrophobicContact CD2-CG 4.01Å; L273-L289 HydrophobicContact CG-CD2 4.46Å; L273-L289 HydrophobicContact CG-CG 4.02Å; L273-L319 HydrophobicContact CD1-CD1 3.63Å; L273-L359 CarbonylContact O-C 3.39Å; L273-L359 VanDerWaalsContact O-CA 3.25Å; L273-L359 WeakPolarHBondContact O-CA 3.4Å; L273-G360 PolarHBondContact O-N 2.84Å; L273-F390 HydrophobicContact CD2-CD2 3.32Å; L273-F390 HydrophobicContact CD2-CE2 3.61Å; L273-F390 HydrophobicContact CD2-CG 4.02Å; L273-M394 HydrophobicContact CB-CE 3.75Å; L273-M394 HydrophobicContact CD2-CE 4.03Å; L273-M394 HydrophobicContact CG-CE 4.43Å
274	F	97.6	Very high	91.2	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	134.7	-176.5	175.4	-81.8	0	0	0	108.9	I245 V258 M260 I285 Q286 L287 L357 L359 M399	I245-F274 HydrophobicContact CD1-CE2 4.34Å; V258-F274 HydrophobicContact CB-CZ 4.49Å; V258-F274 HydrophobicContact CG2-CD1 4.39Å; V258-F274 HydrophobicContact CG2-CD2 3.95Å; V258-F274 HydrophobicContact CG2-CE1 4.22Å; V258-F274 HydrophobicContact CG2-CE2 3.76Å; V258-F274 HydrophobicContact CG2-CG 4.25Å; V258-F274 HydrophobicContact CG2-CZ 3.88Å; M260-F274 HydrophobicContact CE-CB 3.55Å; M260-F274 HydrophobicContact CE-CD2 3.98Å; M260-F274 HydrophobicContact CE-CG 4.01Å; M260-F274 HydrophobicContact SD-CB 4.42Å; F274-I285 HydrophobicContact CD1-CG2 4.47Å; F274-I285 HydrophobicContact CE1-CG2 4.16Å; F274-Q286 WeakPolarHBondContact O-CA 3.09Å; F274-L287 HydrophobicContact CB-CB 4.22Å; F274-L287 PolarHBondContact N-O 3.07Å; F274-L287 VanDerWaalsContact N-O 3.15Å; F274-L287 PolarHBondContact O-N 3.37Å; F274-L357 HydrophobicContact CD1-CD1 4.34Å; F274-L357 HydrophobicContact CD2-CD1 4.4Å; F274-L357 HydrophobicContact CE1-CD1 3.51Å; F274-L357 HydrophobicContact CE2-CD1 3.6Å; F274-L357 HydrophobicContact CE2-CD2 3.74Å; F274-L357 HydrophobicContact CE2-CG 3.85Å; F274-L357 HydrophobicContact CZ-CD1 3.09Å; F274-L357 HydrophobicContact CZ-CD2 3.8Å; F274-L357 HydrophobicContact CZ-CG 3.84Å; F274-L359 HydrophobicContact CB-CD2 4.13Å; F274-L359 HydrophobicContact CD2-CD2 3.69Å; F274-L359 HydrophobicContact CG-CD2 4.36Å; F274-M399 HydrophobicContact CZ-SD 3.97Å
275	S	94.8	Very high	91.1	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	127.7	179.2	-179	0	0	0	0	110	I285 Q358 Q361 R363	S275-I285 WeakPolarHBondContact CA-O 2.94Å; S275-Q358 PolarHBondContact N-O 3.32Å; S275-Q358 PolarHBondContact O-N 2.82Å; S275-Q361 WeakPolarHBondContact CB-O 3.27Å; S275-R363 PolarHBondContact OG-N 3.13Å
276	Y	93.6	Very high	91	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.5	158.2	-176.8	-118.6	0	0	0	108.1	L251 E284 I285 L351 P352 G355 S356 L357	L251-Y276 HydrophobicContact CB-CE2 4.24Å; L251-Y276 HydrophobicContact CD1-CE2 4.12Å; L251-Y276 HydrophobicContact CD2-CD2 3.76Å; L251-Y276 HydrophobicContact CD2-CE2 3.69Å; L251-Y276 HydrophobicContact CD2-CG 4.26Å; L251-Y276 HydrophobicContact CG-CE2 4.24Å; Y276-E284 HydrophobicContact CD1-CB 3.8Å; Y276-E284 HydrophobicContact CD1-CG 3.62Å; Y276-E284 HydrophobicContact CE1-CB 4.37Å; Y276-E284 HydrophobicContact CE1-CG 3.89Å; Y276-E284 WeakPolarHBondContact O-CB 3.44Å; Y276-E284 PolarHBondContact O-N 3.25Å; Y276-I285 HydrophobicContact CD1-CD1 3.9Å; Y276-I285 HydrophobicContact CD1-CG1 4.1Å; Y276-I285 HydrophobicContact CG-CD1 4.13Å; Y276-I285 HydrophobicContact CG-CG1 4.47Å; Y276-I285 PolarHBondContact N-O 2.91Å; Y276-I285 PolarHBondContact O-N 3.24Å; Y276-L351 HydrophobicContact CD1-CD2 4.48Å; Y276-P352 PolarHBondContact OH-O 3.21Å; Y276-G355 VanDerWaalsContact OH-CA 3.29Å; Y276-G355 WeakPolarHBondContact OH-CA 3.06Å; Y276-G355 PolarHBondContact OH-N 2.82Å; Y276-S356 WeakPolarHBondContact CD2-O 3.33Å; Y276-L357 HydrophobicContact CD2-CB 4.39Å; Y276-L357 HydrophobicContact CD2-CD1 4.04Å; Y276-L357 HydrophobicContact CG-CD1 4.29Å
277	G	89.4	Confident	91.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	168.2	172.4	0	0	0	0	0	110.6	N281 P282 G355 S356 R363	G277-N281 CarbonylContact C-O 3.56Å; G277-N281 VanDerWaalsContact CA-O 3.24Å; G277-N281 WeakPolarHBondContact CA-O 3.41Å; G277-P282 WeakPolarHBondContact CA-O 3.47Å; G277-G355 CarbonylContact O-C 3.58Å; G277-G355 WeakPolarHBondContact O-CA 3.29Å; G277-S356 PolarHBondContact N-O 2.93Å; G277-S356 PolarHBondContact O-N 2.95Å; G277-R363 VanDerWaalsContact C-CD 3.42Å; G277-R363 VanDerWaalsContact O-CD 3.29Å; G277-R363 WeakPolarHBondContact O-CD 3.19Å; G277-R363 PolarHBondContact O-NH1 3.16Å
278	H	84.3	Confident	91.5	Very high	36 Å²	36	38.6 Å²	38.6	17%	0.167	17%	0.172	C	C	.	.			trans	-138.8	-178.9	172.9	77.1	106.8	0	0	0	110.1	R280 N281 E284	H278-R280 VanDerWaalsContact CE1-CB 3.49Å; H278-R280 WeakPolarHBondContact CE1-CB 3.34Å; H278-R280 PolarHBondContact O-N 2.9Å; H278-R280 VanDerWaalsContact O-N 3.09Å; H278-N281 PolarHBondContact N-O 2.97Å; H278-N281 WeakPolarHBondContact NE2-CB 3.03Å; H278-N281 PolarHBondContact NE2-N 2.86Å; H278-N281 CarbonylContact O-C 3.27Å; H278-N281 VanDerWaalsContact O-C 3.27Å; H278-N281 PolarHBondContact O-N 2.84Å; H278-N281 VanDerWaalsContact O-O 3.12Å; H278-E284 IonicContact CD2-OE2 2.83Å; H278-E284 IonicContact NE2-OE2 3.91Å
279	R	78.7	Confident	91.7	Very high	165 Å²	165	33.4 Å²	33.4	62%	0.623	15%	0.149	S	C	*	.	S	Bend	trans	-54.9	-32.9	-172.1	-66.4	-164.2	174.7	-174	4.7	115.4	C366 C367	R279-C366 VanDerWaalsContact CG-O 3.29Å; R279-C366 WeakPolarHBondContact CG-O 3.4Å; R279-C366 PolarHBondContact NE-O 2.87Å; R279-C366 VanDerWaalsContact NE-O 3.07Å; R279-C367 PolarHBondContact NH2-SG 2.9Å
280	R	80.8	Confident	91.9	Very high	233 Å²	233	28.7 Å²	28.7	88%	0.879	13%	0.127	S	C	*	.	S	Bend	trans	-94.6	-31.1	-177	-53.7	-179.5	178.8	175.1	-0.8	112.2	H278	H278-R280 VanDerWaalsContact CE1-CB 3.49Å; H278-R280 WeakPolarHBondContact CE1-CB 3.34Å; H278-R280 PolarHBondContact O-N 2.9Å; H278-R280 VanDerWaalsContact O-N 3.09Å
281	N	84.3	Confident	91.9	Very high	35 Å²	35	32.8 Å²	32.8	19%	0.187	15%	0.147	C	C	.	.			trans	-129.9	102.3	179	-170.9	8.1	0	0	0	111.1	G277 H278 S283 E284 G299	G277-N281 CarbonylContact C-O 3.56Å; G277-N281 VanDerWaalsContact CA-O 3.24Å; G277-N281 WeakPolarHBondContact CA-O 3.41Å; H278-N281 PolarHBondContact N-O 2.97Å; H278-N281 WeakPolarHBondContact NE2-CB 3.03Å; H278-N281 PolarHBondContact NE2-N 2.86Å; H278-N281 CarbonylContact O-C 3.27Å; H278-N281 VanDerWaalsContact O-C 3.27Å; H278-N281 PolarHBondContact O-N 2.84Å; H278-N281 VanDerWaalsContact O-O 3.12Å; N281-S283 PolarHBondContact O-N 3.38Å; N281-S283 PolarHBondContact OD1-N 3.32Å; N281-S283 VanDerWaalsContact OD1-N 3.13Å; N281-E284 WeakPolarHBondContact CB-OE2 3.35Å; N281-E284 WeakPolarHBondContact ND2-CA 3.48Å; N281-E284 PolarHBondContact ND2-OE2 2.66Å; N281-G299 PolarHBondContact ND2-O 2.96Å
282	P	80.1	Confident	91.9	Very high	55 Å²	55	36.2 Å²	36.2	36%	0.357	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.2	176.7	26.2	-32	0	0	0	113.4	G277 R363	G277-P282 WeakPolarHBondContact CA-O 3.47Å; P282-R363 WeakPolarHBondContact CB-O 3.41Å
283	S	86.8	Confident	92	Very high	7 Å²	7	36.7 Å²	36.7	5%	0.049	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	43.3	-172	-57.6	0	0	0	0	111.4	N281 I285 Q286 E362	N281-S283 PolarHBondContact O-N 3.38Å; N281-S283 PolarHBondContact OD1-N 3.32Å; N281-S283 VanDerWaalsContact OD1-N 3.13Å; S283-I285 PolarHBondContact O-N 2.77Å; S283-Q286 PolarHBondContact OG-NE2 2.95Å; S283-E362 PolarHBondContact OG-OE1 3.16Å
284	E	92.5	Very high	92	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.019	17%	0.171	C	C	.	.	S	Bend	trans	-63.1	-40.6	-177.9	-173.6	68.2	-167.1	0	0	112.3	Y276 H278 N281 V298 G299 H349 L351 P352	Y276-E284 HydrophobicContact CD1-CB 3.8Å; Y276-E284 HydrophobicContact CD1-CG 3.62Å; Y276-E284 HydrophobicContact CE1-CB 4.37Å; Y276-E284 HydrophobicContact CE1-CG 3.89Å; Y276-E284 WeakPolarHBondContact O-CB 3.44Å; Y276-E284 PolarHBondContact O-N 3.25Å; H278-E284 IonicContact CD2-OE2 2.83Å; H278-E284 IonicContact NE2-OE2 3.91Å; N281-E284 WeakPolarHBondContact CB-OE2 3.35Å; N281-E284 WeakPolarHBondContact ND2-CA 3.48Å; N281-E284 PolarHBondContact ND2-OE2 2.66Å; E284-V298 CarbonylContact O-C 3.6Å; E284-V298 WeakPolarHBondContact O-CA 3.29Å; E284-G299 PolarHBondContact O-N 3.42Å; E284-H349 IonicContact OE1-CD2 3.92Å; E284-H349 IonicContact OE1-CE1 2.85Å; E284-H349 IonicContact OE1-NE2 3.89Å; E284-H349 PolarHBondContact OE1-NE2 3.15Å; E284-L351 HydrophobicContact CG-CD2 3.66Å; E284-P352 WeakPolarHBondContact OE1-CD 3.22Å
285	I	95.2	Very high	92	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	129.9	168	-50	167.4	0	0	0	107	F256 F274 S275 Y276 S283 F296 T297 L351 M399	F256-I285 HydrophobicContact CE1-CD1 3.99Å; F256-I285 HydrophobicContact CE1-CG1 4.36Å; F256-I285 HydrophobicContact CE2-CD1 4.1Å; F256-I285 HydrophobicContact CE2-CG2 3.92Å; F256-I285 HydrophobicContact CZ-CD1 3.7Å; F256-I285 HydrophobicContact CZ-CG1 3.91Å; F256-I285 HydrophobicContact CZ-CG2 3.81Å; F274-I285 HydrophobicContact CD1-CG2 4.47Å; F274-I285 HydrophobicContact CE1-CG2 4.16Å; S275-I285 WeakPolarHBondContact CA-O 2.94Å; Y276-I285 HydrophobicContact CD1-CD1 3.9Å; Y276-I285 HydrophobicContact CD1-CG1 4.1Å; Y276-I285 HydrophobicContact CG-CD1 4.13Å; Y276-I285 HydrophobicContact CG-CG1 4.47Å; Y276-I285 PolarHBondContact N-O 2.91Å; Y276-I285 PolarHBondContact O-N 3.24Å; S283-I285 PolarHBondContact O-N 2.77Å; I285-F296 HydrophobicContact CG2-CE2 3.81Å; I285-F296 HydrophobicContact CG2-CZ 4.49Å; I285-T297 WeakPolarHBondContact CA-O 3.32Å; I285-L351 HydrophobicContact CD1-CD1 3.6Å; I285-L351 HydrophobicContact CD1-CD2 3.93Å; I285-L351 HydrophobicContact CD1-CG 4.45Å; I285-L351 HydrophobicContact CG1-CD1 4.36Å; I285-L351 HydrophobicContact CG1-CD2 3.84Å; I285-M399 HydrophobicContact CD1-CE 4.29Å
286	Q	95.9	Very high	92.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	133.4	168.8	-54.5	-169.5	-50.3	0	0	111.3	F274 S283 L288 F296 T297 E362	F274-Q286 WeakPolarHBondContact O-CA 3.09Å; S283-Q286 PolarHBondContact OG-NE2 2.95Å; Q286-L288 HydrophobicContact CB-CD2 4.26Å; Q286-F296 WeakPolarHBondContact O-CA 3.45Å; Q286-F296 WeakPolarHBondContact O-CD2 3.14Å; Q286-T297 WeakPolarHBondContact CB-OG1 3.35Å; Q286-T297 PolarHBondContact N-O 2.04Å; Q286-T297 VanDerWaalsContact N-O 3.09Å; Q286-T297 PolarHBondContact N-OG1 3.17Å; Q286-T297 PolarHBondContact O-N 3.15Å; Q286-E362 PolarHBondContact NE2-OE1 3.27Å
287	L	98	Very high	92.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	121	159.3	-171.9	67.3	0	0	0	107.2	M260 L273 F274 F296 L319 L332	M260-L287 HydrophobicContact CE-CD2 3.71Å; M260-L287 HydrophobicContact CG-CD2 4.28Å; M260-L287 HydrophobicContact SD-CD2 3.93Å; L273-L287 WeakPolarHBondContact CB-O 3.35Å; L273-L287 PolarHBondContact N-O 3.24Å; F274-L287 HydrophobicContact CB-CB 4.22Å; F274-L287 PolarHBondContact N-O 3.07Å; F274-L287 VanDerWaalsContact N-O 3.15Å; F274-L287 PolarHBondContact O-N 3.37Å; L287-F296 HydrophobicContact CB-CD2 4.46Å; L287-F296 HydrophobicContact CD1-CB 3.92Å; L287-F296 HydrophobicContact CD1-CD2 4.11Å; L287-F296 HydrophobicContact CD1-CG 4.41Å; L287-L319 HydrophobicContact CD2-CB 4.04Å; L287-L332 HydrophobicContact CD1-CD1 3.87Å
288	L	97.1	Very high	92.6	Very high	9 Å²	9	36.9 Å²	36.9	5%	0.047	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	161.5	-172	68.1	87	0	0	0	112	K270 T271 Q286 A290 V295	K270-L288 HydrophobicContact CD-CD2 4.37Å; K270-L288 HydrophobicContact CG-CD1 4.3Å; K270-L288 HydrophobicContact CG-CD2 4.03Å; T271-L288 CarbonylContact O-C 3.27Å; T271-L288 VanDerWaalsContact O-CA 3.26Å; T271-L288 WeakPolarHBondContact O-CA 3.39Å; T271-L288 WeakPolarHBondContact O-CB 3.41Å; Q286-L288 HydrophobicContact CB-CD2 4.26Å; L288-A290 HydrophobicContact CD1-CB 4.2Å; L288-V295 HydrophobicContact CD1-CB 3.63Å; L288-V295 HydrophobicContact CD1-CG1 4.32Å; L288-V295 HydrophobicContact CD1-CG2 4.02Å; L288-V295 HydrophobicContact CG-CB 3.93Å; L288-V295 HydrophobicContact CG-CG1 4.41Å; L288-V295 PolarHBondContact N-O 3.41Å; L288-V295 PolarHBondContact O-N 3.47Å
289	L	98.1	Very high	92.8	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	140.9	170.9	-50.6	-178.8	0	0	0	109.8	P264 V267 K270 T271 L273 S293 A294 V311 L319	P264-L289 HydrophobicContact CB-CD1 4.05Å; P264-L289 HydrophobicContact CG-CD1 3.97Å; V267-L289 HydrophobicContact CG1-CB 3.55Å; V267-L289 HydrophobicContact CG1-CD1 4.39Å; V267-L289 HydrophobicContact CG2-CD1 3.96Å; K270-L289 CarbonylContact C-O 3.37Å; T271-L289 PolarHBondContact N-O 3.26Å; T271-L289 PolarHBondContact O-N 3.23Å; L273-L289 HydrophobicContact CD1-CD1 4.29Å; L273-L289 HydrophobicContact CD1-CD2 3.69Å; L273-L289 HydrophobicContact CD1-CG 3.76Å; L273-L289 HydrophobicContact CD2-CD1 4.03Å; L273-L289 HydrophobicContact CD2-CG 4.01Å; L273-L289 HydrophobicContact CG-CD2 4.46Å; L273-L289 HydrophobicContact CG-CG 4.02Å; L289-S293 WeakPolarHBondContact CA-O 3.36Å; L289-A294 HydrophobicContact CD2-CB 4.15Å; L289-V311 HydrophobicContact CD1-CG1 4.06Å; L289-V311 HydrophobicContact CD2-CG2 3.81Å; L289-L319 HydrophobicContact CD2-CD1 3.73Å
290	A	96.8	Very high	92.9	Very high	21 Å²	21	34.2 Å²	34.2	17%	0.174	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	102.3	178	0	0	0	0	0	109	F268 N269 L288 T292 S293 V295	F268-A290 WeakPolarHBondContact O-CA 3.48Å; N269-A290 WeakPolarHBondContact O-CA 3.23Å; N269-A290 WeakPolarHBondContact O-CB 3.48Å; L288-A290 HydrophobicContact CD1-CB 4.2Å; A290-T292 PolarHBondContact O-N 3.35Å; A290-S293 PolarHBondContact N-O 3.11Å; A290-S293 WeakPolarHBondContact O-CB 3.25Å; A290-S293 PolarHBondContact O-N 3.15Å; A290-V295 HydrophobicContact CB-CG2 4.17Å
291	Q	95.1	Very high	92.6	Very high	123 Å²	123	27.4 Å²	27.4	58%	0.575	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	-103	-174	-56.9	174.3	9.5	0	0	112	V267 F268 N269	V267-Q291 WeakPolarHBondContact CG1-O 3.03Å; F268-Q291 PolarHBondContact O-N 2.79Å; N269-Q291 PolarHBondContact OD1-NE2 3.48Å
292	T	96.4	Very high	92.4	Very high	72 Å²	72	29.7 Å²	29.7	44%	0.442	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	2.4	178.2	59.3	0	0	0	0	113.2	A290 S309 V310 V311	A290-T292 PolarHBondContact O-N 3.35Å; T292-S309 CarbonylContact O-C 3.51Å; T292-S309 WeakPolarHBondContact O-CA 3.32Å; T292-S309 PolarHBondContact O-N 3.13Å; T292-S309 VanDerWaalsContact O-N 3.17Å; T292-V310 PolarHBondContact O-N 3.05Å; T292-V311 PolarHBondContact O-N 2.61Å
293	S	97.9	Very high	92.8	Very high	9 Å²	9	28.3 Å²	28.3	6%	0.063	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	154.5	-177.3	-59.8	0	0	0	0	112.7	L289 A290 E306 A307	L289-S293 WeakPolarHBondContact CA-O 3.36Å; A290-S293 PolarHBondContact N-O 3.11Å; A290-S293 WeakPolarHBondContact O-CB 3.25Å; A290-S293 PolarHBondContact O-N 3.15Å; S293-E306 VanDerWaalsContact CB-OE1 3.25Å; S293-E306 WeakPolarHBondContact CB-OE1 3.25Å; S293-E306 PolarHBondContact OG-OE1 2.92Å; S293-A307 CarbonylContact C-O 3.51Å; S293-A307 WeakPolarHBondContact CA-O 3.32Å; S293-A307 WeakPolarHBondContact CB-O 3.4Å
294	A	98.4	Very high	93.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	141.5	161.5	0	0	0	0	0	109.3	L289 E306 A307 V310 L319 L332	L289-A294 HydrophobicContact CD2-CB 4.15Å; A294-E306 WeakPolarHBondContact O-CA 3.26Å; A294-A307 PolarHBondContact N-O 2.82Å; A294-A307 PolarHBondContact O-N 3.38Å; A294-V310 HydrophobicContact CB-CG2 3.93Å; A294-L319 HydrophobicContact CB-CD1 4.33Å; A294-L319 HydrophobicContact CB-CD2 3.81Å; A294-L332 HydrophobicContact CB-CD2 4.16Å; A294-L332 VanDerWaalsContact O-CD2 3.27Å; A294-L332 WeakPolarHBondContact O-CD2 3.35Å
295	V	98.1	Very high	93.4	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.024	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	137.8	-176	-179.9	0	0	0	0	109.5	L288 A290 T297 Q304 V305 E306	L288-V295 HydrophobicContact CD1-CB 3.63Å; L288-V295 HydrophobicContact CD1-CG1 4.32Å; L288-V295 HydrophobicContact CD1-CG2 4.02Å; L288-V295 HydrophobicContact CG-CB 3.93Å; L288-V295 HydrophobicContact CG-CG1 4.41Å; L288-V295 PolarHBondContact N-O 3.41Å; L288-V295 PolarHBondContact O-N 3.47Å; A290-V295 HydrophobicContact CB-CG2 4.17Å; V295-T297 HydrophobicContact CG1-CG2 4.24Å; V295-Q304 HydrophobicContact CG1-CB 3.77Å; V295-Q304 HydrophobicContact CG1-CG 4.25Å; V295-V305 WeakPolarHBondContact CA-O 3.39Å; V295-E306 HydrophobicContact CG2-CB 4.37Å; V295-E306 HydrophobicContact CG2-CG 4.07Å
296	F	98.3	Very high	93.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134	176.4	176.4	-118.5	0	0	0	110.8	F256 V258 I285 Q286 L287 V298 Q304 V305 W323 A330 L332	F256-F296 HydrophobicContact CE2-CE2 4.06Å; F256-F296 AromaticContact CE2-CZ 3.64Å; F256-F296 HydrophobicContact CE2-CZ 3.64Å; F256-F296 HydrophobicContact CZ-CE2 4.35Å; F256-F296 AromaticContact CZ-CZ 3.78Å; F256-F296 HydrophobicContact CZ-CZ 3.78Å; V258-F296 HydrophobicContact CG1-CE2 4.32Å; I285-F296 HydrophobicContact CG2-CE2 3.81Å; I285-F296 HydrophobicContact CG2-CZ 4.49Å; Q286-F296 WeakPolarHBondContact O-CA 3.45Å; Q286-F296 WeakPolarHBondContact O-CD2 3.14Å; L287-F296 HydrophobicContact CB-CD2 4.46Å; L287-F296 HydrophobicContact CD1-CB 3.92Å; L287-F296 HydrophobicContact CD1-CD2 4.11Å; L287-F296 HydrophobicContact CD1-CG 4.41Å; F296-V298 HydrophobicContact CE1-CG2 3.7Å; F296-V298 HydrophobicContact CE2-CG2 4.12Å; F296-V298 HydrophobicContact CZ-CG2 3.44Å; F296-V298 VanDerWaalsContact CZ-CG2 3.44Å; F296-Q304 WeakPolarHBondContact O-CA 3.43Å; F296-V305 HydrophobicContact CB-CG1 3.79Å; F296-V305 HydrophobicContact CD1-CG1 4.01Å; F296-V305 HydrophobicContact CG-CG1 4.41Å; F296-V305 PolarHBondContact N-O 3.14Å; F296-V305 PolarHBondContact O-N 3.48Å; F296-W323 HydrophobicContact CE1-CB 4.2Å; F296-W323 HydrophobicContact CZ-CB 4.38Å; F296-A330 HydrophobicContact CD1-CB 4.4Å; F296-A330 HydrophobicContact CE1-CB 4.33Å; F296-L332 HydrophobicContact CB-CD1 4.18Å
297	T	96.6	Very high	93.6	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	146.2	-178.4	66.2	0	0	0	0	111.1	I285 Q286 V295 Q304	I285-T297 WeakPolarHBondContact CA-O 3.32Å; Q286-T297 WeakPolarHBondContact CB-OG1 3.35Å; Q286-T297 PolarHBondContact N-O 2.04Å; Q286-T297 VanDerWaalsContact N-O 3.09Å; Q286-T297 PolarHBondContact N-OG1 3.17Å; Q286-T297 PolarHBondContact O-N 3.15Å; V295-T297 HydrophobicContact CG1-CG2 4.24Å; T297-Q304 HydrophobicContact CG2-CB 3.63Å
298	V	95.7	Very high	93.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	132.3	174.7	-173.7	0	0	0	0	109.4	F256 E284 F296 E300 W323 M345 A346	F256-V298 HydrophobicContact CE1-CG1 4.2Å; F256-V298 HydrophobicContact CE1-CG2 4.34Å; F256-V298 HydrophobicContact CZ-CG1 4.32Å; F256-V298 HydrophobicContact CZ-CG2 3.75Å; E284-V298 CarbonylContact O-C 3.6Å; E284-V298 WeakPolarHBondContact O-CA 3.29Å; F296-V298 HydrophobicContact CE1-CG2 3.7Å; F296-V298 HydrophobicContact CE2-CG2 4.12Å; F296-V298 HydrophobicContact CZ-CG2 3.44Å; F296-V298 VanDerWaalsContact CZ-CG2 3.44Å; V298-E300 PolarHBondContact O-N 3.12Å; V298-W323 HydrophobicContact CB-CG 4.27Å; V298-W323 HydrophobicContact CG1-CD2 3.86Å; V298-W323 HydrophobicContact CG1-CE3 4.27Å; V298-W323 HydrophobicContact CG1-CG 4.13Å; V298-W323 HydrophobicContact CG1-CZ2 4.26Å; V298-W323 HydrophobicContact CG2-CB 3.94Å; V298-W323 HydrophobicContact CG2-CD2 4.49Å; V298-W323 HydrophobicContact CG2-CG 3.92Å; V298-M345 HydrophobicContact CB-CG 4.43Å; V298-M345 HydrophobicContact CB-SD 4.09Å; V298-M345 HydrophobicContact CG2-SD 4.29Å; V298-A346 HydrophobicContact CG1-CB 4.33Å
299	G	89	Confident	93.6	Very high	17 Å²	17	48.3 Å²	48.3	18%	0.175	26%	0.262	C	S	.	.	S	Bend	trans	75.5	-51.4	177.9	0	0	0	0	0	114	N281 E284	N281-G299 PolarHBondContact ND2-O 2.96Å; E284-G299 PolarHBondContact O-N 3.42Å
300	E	79.6	Confident	93.4	Very high	128 Å²	128	49.8 Å²	49.8	60%	0.598	27%	0.271	S	S	*	.			trans	-139.8	135.8	179.9	-168.2	-177.4	-179.3	0	0	111.5	V298 A302 S303	V298-E300 PolarHBondContact O-N 3.12Å; E300-A302 VanDerWaalsContact C-N 3.25Å; E300-A302 HydrophobicContact CG-CB 4.2Å; E300-A302 PolarHBondContact O-N 3.28Å; E300-S303 PolarHBondContact O-N 3.22Å; E300-S303 VanDerWaalsContact O-N 3.1Å
301	E	75.5	Confident	93.4	Very high	90 Å²	90	49.1 Å²	49.1	42%	0.421	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-32	-179.8	-174.2	171.3	174.6	0	0	112.9	K270 S303	K270-E301 WeakPolarHBondContact CE-OE1 3.45Å; K270-E301 IonicContact NZ-OE1 2.94Å; K270-E301 PolarHBondContact NZ-OE1 2.85Å; K270-E301 IonicContact NZ-OE2 3.94Å; K270-E301 PolarHBondContact NZ-OE2 3.45Å; E301-S303 PolarHBondContact O-N 3.22Å
302	A	79.4	Confident	93.3	Very high	82 Å²	82	46.6 Å²	46.6	68%	0.678	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-23.3	177.9	0	0	0	0	0	113.1	E300	E300-A302 VanDerWaalsContact C-N 3.25Å; E300-A302 HydrophobicContact CG-CB 4.2Å; E300-A302 PolarHBondContact O-N 3.28Å
303	S	88.9	Confident	93.2	Very high	26 Å²	26	47 Å²	47	18%	0.182	26%	0.264	C	S	.	.	S	Bend	trans	-103.2	97.2	177	-161.4	0	0	0	0	110.9	E300 E301 K342 M345	E300-S303 PolarHBondContact O-N 3.22Å; E300-S303 VanDerWaalsContact O-N 3.1Å; E301-S303 PolarHBondContact O-N 3.22Å; S303-K342 PolarHBondContact OG-NZ 3.39Å; S303-M345 WeakPolarHBondContact O-CE 3.47Å
304	Q	95.1	Very high	93.1	Very high	88 Å²	88	48.3 Å²	48.3	41%	0.411	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	159.1	-177.7	70.4	-175.1	7.4	0	0	113.5	V295 F296 T297 K342	V295-Q304 HydrophobicContact CG1-CB 3.77Å; V295-Q304 HydrophobicContact CG1-CG 4.25Å; F296-Q304 WeakPolarHBondContact O-CA 3.43Å; T297-Q304 HydrophobicContact CG2-CB 3.63Å; Q304-K342 WeakPolarHBondContact O-CD 3.11Å
305	V	97.1	Very high	92.9	Very high	7 Å²	7	54.6 Å²	54.6	4%	0.042	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134.4	164.7	76	0	0	0	0	108.5	V295 F296 L332 A340 K342 M345	V295-V305 WeakPolarHBondContact CA-O 3.39Å; F296-V305 HydrophobicContact CB-CG1 3.79Å; F296-V305 HydrophobicContact CD1-CG1 4.01Å; F296-V305 HydrophobicContact CG-CG1 4.41Å; F296-V305 PolarHBondContact N-O 3.14Å; F296-V305 PolarHBondContact O-N 3.48Å; V305-L332 HydrophobicContact CG1-CB 3.76Å; V305-A340 HydrophobicContact CG2-CB 3.54Å; V305-K342 HydrophobicContact CB-CB 4.26Å; V305-K342 HydrophobicContact CG2-CB 4.15Å; V305-M345 HydrophobicContact CB-CE 4.32Å
306	E	97.8	Very high	92.8	Very high	62 Å²	62	57.1 Å²	57.1	29%	0.29	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133.9	-170.5	-178.5	-172.7	-166.9	0	0	110.7	S293 A294 V295 R308 A340	S293-E306 VanDerWaalsContact CB-OE1 3.25Å; S293-E306 WeakPolarHBondContact CB-OE1 3.25Å; S293-E306 PolarHBondContact OG-OE1 2.92Å; A294-E306 WeakPolarHBondContact O-CA 3.26Å; V295-E306 HydrophobicContact CG2-CB 4.37Å; V295-E306 HydrophobicContact CG2-CG 4.07Å; E306-R308 HydrophobicContact CG-CG 4.03Å; E306-R308 IonicContact OE1-NE 3.88Å; E306-R308 IonicContact OE2-CZ 2.68Å; E306-R308 IonicContact OE2-NE 2.67Å; E306-R308 PolarHBondContact OE2-NE 3.23Å; E306-R308 IonicContact OE2-NH2 3.65Å; E306-R308 PolarHBondContact OE2-NH2 2.81Å; E306-R308 VanDerWaalsContact OE2-NH2 3.17Å; E306-A340 VanDerWaalsContact O-CB 3.23Å; E306-A340 WeakPolarHBondContact O-CB 3.44Å
307	A	97.9	Very high	92.7	Very high	3 Å²	3	57.9 Å²	57.9	3%	0.025	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.1	167.3	0	0	0	0	0	109.1	S293 A294 V310 L332 V334 M339	S293-A307 CarbonylContact C-O 3.51Å; S293-A307 WeakPolarHBondContact CA-O 3.32Å; S293-A307 WeakPolarHBondContact CB-O 3.4Å; A294-A307 PolarHBondContact N-O 2.82Å; A294-A307 PolarHBondContact O-N 3.38Å; A307-V310 HydrophobicContact CB-CG1 4.18Å; A307-V310 HydrophobicContact CB-CG2 4.27Å; A307-V310 WeakPolarHBondContact O-CG2 3.44Å; A307-L332 HydrophobicContact CB-CD2 3.72Å; A307-L332 HydrophobicContact CB-CG 4.24Å; A307-V334 HydrophobicContact CB-CG2 4.16Å; A307-M339 HydrophobicContact CB-CB 3.63Å; A307-M339 HydrophobicContact CB-CG 4.39Å
308	R	97.4	Very high	92.8	Very high	178 Å²	178	58 Å²	58	67%	0.672	32%	0.323	S	S	*	.			trans	-91.2	151.2	-173.4	-64.2	-175.6	178.3	171.5	1.6	112.8	E306 V310	E306-R308 HydrophobicContact CG-CG 4.03Å; E306-R308 IonicContact OE1-NE 3.88Å; E306-R308 IonicContact OE2-CZ 2.68Å; E306-R308 IonicContact OE2-NE 2.67Å; E306-R308 PolarHBondContact OE2-NE 3.23Å; E306-R308 IonicContact OE2-NH2 3.65Å; E306-R308 PolarHBondContact OE2-NH2 2.81Å; E306-R308 VanDerWaalsContact OE2-NH2 3.17Å; R308-V310 WeakPolarHBondContact O-CG1 3.48Å; R308-V310 PolarHBondContact O-N 2.84Å
309	S	95.8	Very high	92.9	Very high	103 Å²	103	58 Å²	58	72%	0.72	32%	0.322	S	S	*	.	S	Bend	trans	57	35	174.1	-54.5	0	0	0	0	113.9	T292	T292-S309 CarbonylContact O-C 3.51Å; T292-S309 WeakPolarHBondContact O-CA 3.32Å; T292-S309 PolarHBondContact O-N 3.13Å; T292-S309 VanDerWaalsContact O-N 3.17Å
310	V	95.5	Very high	93.4	Very high	31 Å²	31	57.2 Å²	57.2	19%	0.188	31%	0.314	C	S	.	.			trans	-106.2	-18.4	-178.6	-64.1	0	0	0	0	112.8	T292 A294 A307 R308 I317 V334 M339	T292-V310 PolarHBondContact O-N 3.05Å; A294-V310 HydrophobicContact CB-CG2 3.93Å; A307-V310 HydrophobicContact CB-CG1 4.18Å; A307-V310 HydrophobicContact CB-CG2 4.27Å; A307-V310 WeakPolarHBondContact O-CG2 3.44Å; R308-V310 WeakPolarHBondContact O-CG1 3.48Å; R308-V310 PolarHBondContact O-N 2.84Å; V310-I317 HydrophobicContact CB-CD1 4.22Å; V310-I317 HydrophobicContact CG2-CD1 4.21Å; V310-I317 WeakPolarHBondContact O-CD1 3.46Å; V310-V334 HydrophobicContact CB-CG1 4.09Å; V310-V334 HydrophobicContact CB-CG2 4.21Å; V310-V334 HydrophobicContact CG1-CB 4.47Å; V310-V334 HydrophobicContact CG1-CG1 4.36Å; V310-V334 HydrophobicContact CG1-CG2 4.09Å; V310-V334 HydrophobicContact CG2-CG2 4.17Å; V310-M339 HydrophobicContact CG1-CE 4.5Å
311	V	95.4	Very high	94.3	Very high	6 Å²	6	51.1 Å²	51.1	4%	0.036	29%	0.285	C	S	.	.			trans	-101.6	130.4	-173.3	-175.2	0	0	0	0	110.9	P264 V267 L289 T292 I317	P264-V311 HydrophobicContact CG-CG1 4.11Å; V267-V311 HydrophobicContact CG2-CG1 3.88Å; L289-V311 HydrophobicContact CD1-CG1 4.06Å; L289-V311 HydrophobicContact CD2-CG2 3.81Å; T292-V311 PolarHBondContact O-N 2.61Å; V311-I317 HydrophobicContact CG2-CD1 4.27Å
312	S	94.3	Very high	95.4	Very high	71 Å²	71	46.9 Å²	46.9	50%	0.497	27%	0.266	S	S	.	.			trans	-130.2	118.4	170.8	-69.5	0	0	0	0	109.3	Q315	S312-Q315 PolarHBondContact O-N 3.1Å
313	P	94.1	Very high	96.3	Very high	79 Å²	79	43 Å²	43	51%	0.513	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	142.4	176.2	-26.4	34.9	0	0	0	112.5	P264 V267 Q315	P264-P313 CarbonylContact O-C 3.49Å; P264-P313 WeakPolarHBondContact O-CA 3.32Å; V267-P313 HydrophobicContact CG2-CG 4.43Å; P313-Q315 PolarHBondContact O-N 3.03Å
314	G	94.4	Very high	96.7	Very high	37 Å²	37	43.1 Å²	43.1	38%	0.381	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	-5.7	-178.5	0	0	0	0	0	115.1	K263 P264	K263-G314 WeakPolarHBondContact CE-O 3.47Å; K263-G314 PolarHBondContact NZ-O 2.91Å; P264-G314 PolarHBondContact O-N 3.07Å
315	Q	94.6	Very high	96.8	Very high	133 Å²	133	39.5 Å²	39.5	62%	0.621	22%	0.219	S	C	*	.	S	Bend	trans	-108.6	145.9	178.8	-60.7	-126.1	-33	0	0	111.9	K263 S312 P313	K263-Q315 WeakPolarHBondContact CA-O 3.4Å; S312-Q315 PolarHBondContact O-N 3.1Å; P313-Q315 PolarHBondContact O-N 3.03Å
316	W	95.9	Very high	96.7	Very high	56 Å²	56	46.3 Å²	46.3	21%	0.212	25%	0.25	C	S	.	.			trans	-73.5	132.4	173.4	-77.1	114.3	0	0	0	110.3	L224 P225 W261 V262 K263 K393 T395	L224-W316 HydrophobicContact CD2-CH2 4.34Å; L224-W316 HydrophobicContact CD2-CZ2 3.74Å; P225-W316 HydrophobicContact CG-CD2 3.82Å; P225-W316 HydrophobicContact CG-CE3 3.94Å; P225-W316 HydrophobicContact CG-CG 4.14Å; P225-W316 HydrophobicContact CG-CZ3 4.4Å; W261-W316 HydrophobicContact CB-CE3 4Å; W261-W316 HydrophobicContact CB-CZ3 4.09Å; W261-W316 HydrophobicContact CE3-CB 4.12Å; W261-W316 HydrophobicContact CZ3-CB 4.31Å; V262-W316 CarbonylContact O-C 3Å; V262-W316 WeakPolarHBondContact O-CA 3.19Å; K263-W316 HydrophobicContact CB-CD2 3.55Å; K263-W316 HydrophobicContact CB-CE3 3.54Å; K263-W316 HydrophobicContact CB-CG 4.13Å; K263-W316 HydrophobicContact CB-CH2 4.11Å; K263-W316 HydrophobicContact CB-CZ2 4.13Å; K263-W316 HydrophobicContact CB-CZ3 3.83Å; K263-W316 HydrophobicContact CD-CD2 4.09Å; K263-W316 HydrophobicContact CD-CG 4.15Å; K263-W316 HydrophobicContact CD-CZ2 4.34Å; K263-W316 HydrophobicContact CG-CD2 4.43Å; W316-K393 HydrophobicContact CH2-CB 3.64Å; W316-K393 HydrophobicContact CZ2-CB 4.11Å; W316-K393 HydrophobicContact CZ3-CB 4.4Å; W316-T395 HydrophobicContact CH2-CG2 3.99Å; W316-T395 HydrophobicContact CZ3-CG2 4Å
317	I	97.1	Very high	96.5	Very high	17 Å²	17	49 Å²	49	9%	0.087	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.5	173.7	-174.6	178.4	0	0	0	109	W261 V262 V310 V311 L319 V334	W261-I317 WeakPolarHBondContact CA-O 3.22Å; V262-I317 HydrophobicContact CG2-CG2 3.42Å; V262-I317 VanDerWaalsContact CG2-CG2 3.42Å; V262-I317 PolarHBondContact N-O 3.27Å; V262-I317 WeakPolarHBondContact O-CG2 3.25Å; V262-I317 PolarHBondContact O-N 2.85Å; V310-I317 HydrophobicContact CB-CD1 4.22Å; V310-I317 HydrophobicContact CG2-CD1 4.21Å; V310-I317 WeakPolarHBondContact O-CD1 3.46Å; V311-I317 HydrophobicContact CG2-CD1 4.27Å; I317-L319 HydrophobicContact CD1-CD2 3.73Å; I317-L319 HydrophobicContact CD1-CG 4.3Å; I317-L319 HydrophobicContact CG1-CD2 4Å; I317-L319 HydrophobicContact CG1-CG 4.23Å; I317-L319 HydrophobicContact CG2-CG 4.43Å; I317-V334 HydrophobicContact CD1-CG1 3.69Å; I317-V334 HydrophobicContact CG1-CG1 3.72Å
318	H	98.2	Very high	96.4	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.019	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126.1	170.6	-178.2	-106	0	0	0	109.2	M260 W261 C320 V334 G335 A413	M260-H318 WeakPolarHBondContact O-CA 3.33Å; W261-H318 AromaticContact CD1-CD2 3.7Å; W261-H318 HydrophobicContact CD2-CB 3.82Å; W261-H318 AromaticContact CE2-CD2 3.64Å; W261-H318 AromaticContact CE2-CG 3.99Å; W261-H318 HydrophobicContact CE3-CB 3.84Å; W261-H318 HydrophobicContact CH2-CB 3.77Å; W261-H318 HydrophobicContact CZ2-CB 3.78Å; W261-H318 HydrophobicContact CZ3-CB 3.81Å; W261-H318 AromaticContact NE1-CD2 3.36Å; W261-H318 PolarHBondContact NE1-CD2 2.91Å; H318-C320 PolarHBondContact CE1-SG 3.37Å; H318-V334 WeakPolarHBondContact O-CA 3.34Å; H318-G335 PolarHBondContact O-N 2.9Å; H318-A413 HydrophobicContact CB-CB 4.21Å; H318-A413 VanDerWaalsContact ND1-CB 3.28Å; H318-A413 WeakPolarHBondContact ND1-CB 3.29Å
319	L	98.7	Very high	96.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	134	-179.8	-65.1	175.5	0	0	0	109.6	C259 M260 V262 L273 L287 L289 A294 I317 W333 V334	C259-L319 CarbonylContact C-O 3.54Å; C259-L319 VanDerWaalsContact CA-O 3.32Å; C259-L319 WeakPolarHBondContact CA-O 3.35Å; M260-L319 PolarHBondContact N-O 2.76Å; M260-L319 PolarHBondContact O-N 3.25Å; V262-L319 HydrophobicContact CG2-CD1 3.99Å; L273-L319 HydrophobicContact CD1-CD1 3.63Å; L287-L319 HydrophobicContact CD2-CB 4.04Å; L289-L319 HydrophobicContact CD2-CD1 3.73Å; A294-L319 HydrophobicContact CB-CD1 4.33Å; A294-L319 HydrophobicContact CB-CD2 3.81Å; I317-L319 HydrophobicContact CD1-CD2 3.73Å; I317-L319 HydrophobicContact CD1-CG 4.3Å; I317-L319 HydrophobicContact CG1-CD2 4Å; I317-L319 HydrophobicContact CG1-CG 4.23Å; I317-L319 HydrophobicContact CG2-CG 4.43Å; L319-W333 WeakPolarHBondContact CA-O 3.45Å; L319-V334 HydrophobicContact CD2-CB 4.48Å; L319-V334 HydrophobicContact CD2-CG1 4.35Å; L319-V334 HydrophobicContact CD2-CG2 3.78Å
320	C	98.8	Very high	96.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.3	164.9	-53.1	0	0	0	0	112.6	V258 C259 H318 L332 W333 I409	V258-C320 CarbonylContact O-C 3.56Å; V258-C320 WeakPolarHBondContact O-CA 3.39Å; V258-C320 WeakPolarHBondContact O-CB 3.46Å; C259-C320 HydrophobicContact CB-CB 4.11Å; C259-C320 WeakPolarHBondContact CB-SG 3.33Å; C259-C320 WeakPolarHBondContact SG-CB 3.35Å; C259-C320 CovalentContact SG-SG 2.04Å; C259-C320 PolarHBondContact SG-SG 2.93Å; H318-C320 PolarHBondContact CE1-SG 3.37Å; C320-L332 WeakPolarHBondContact O-CA 3.46Å; C320-L332 WeakPolarHBondContact O-CD1 3.35Å; C320-W333 HydrophobicContact CB-CB 4.08Å; C320-W333 PolarHBondContact N-O 2.88Å; C320-W333 PolarHBondContact O-N 2.93Å; C320-I409 HydrophobicContact CB-CG2 4.44Å
321	G	98.6	Very high	96.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.5	165.9	0	0	0	0	0	109.5	T257 V258 T331	T257-G321 CarbonylContact C-O 3.51Å; T257-G321 WeakPolarHBondContact CA-O 3.49Å; V258-G321 PolarHBondContact N-O 3.28Å; V258-G321 PolarHBondContact O-N 3.01Å; G321-T331 WeakPolarHBondContact CA-O 3.05Å
322	A	98.6	Very high	96.8	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.008	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.5	174	0	0	0	0	0	110.7	F256 T257 A330 T331 V403	F256-A322 WeakPolarHBondContact O-CA 3.43Å; T257-A322 HydrophobicContact CG2-CB 4.09Å; A322-A330 CarbonylContact O-C 3.58Å; A322-A330 WeakPolarHBondContact O-CA 3.07Å; A322-T331 PolarHBondContact N-O 2.83Å; A322-T331 PolarHBondContact O-N 3.47Å; A322-V403 HydrophobicContact CB-CG1 4.18Å
323	W	98.5	Very high	97.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	146.1	-177.4	171.9	87.7	0	0	0	112.3	S254 A255 F256 F296 V298 L329 M345 A346 H349 V403	S254-W323 WeakPolarHBondContact O-CZ3 3.24Å; A255-W323 CarbonylContact C-O 3.52Å; A255-W323 VanDerWaalsContact CA-O 3.22Å; A255-W323 WeakPolarHBondContact CA-O 3.18Å; F256-W323 AromaticContact CD1-CE3 3.65Å; F256-W323 HydrophobicContact CD1-CE3 3.65Å; F256-W323 HydrophobicContact CD1-CZ3 4.24Å; F256-W323 HydrophobicContact CE1-CB 4.06Å; F256-W323 HydrophobicContact CE1-CD2 4.08Å; F256-W323 AromaticContact CE1-CE3 3.4Å; F256-W323 HydrophobicContact CE1-CE3 3.4Å; F256-W323 VanDerWaalsContact CE1-CE3 3.4Å; F256-W323 HydrophobicContact CE1-CG 4.4Å; F256-W323 HydrophobicContact CE1-CZ3 4.09Å; F256-W323 HydrophobicContact CZ-CB 4.14Å; F256-W323 HydrophobicContact CZ-CE3 4.48Å; F256-W323 PolarHBondContact N-O 2.88Å; F256-W323 PolarHBondContact O-N 3.09Å; F296-W323 HydrophobicContact CE1-CB 4.2Å; F296-W323 HydrophobicContact CZ-CB 4.38Å; V298-W323 HydrophobicContact CB-CG 4.27Å; V298-W323 HydrophobicContact CG1-CD2 3.86Å; V298-W323 HydrophobicContact CG1-CE3 4.27Å; V298-W323 HydrophobicContact CG1-CG 4.13Å; V298-W323 HydrophobicContact CG1-CZ2 4.26Å; V298-W323 HydrophobicContact CG2-CB 3.94Å; V298-W323 HydrophobicContact CG2-CD2 4.49Å; V298-W323 HydrophobicContact CG2-CG 3.92Å; W323-L329 VanDerWaalsContact CA-O 3.29Å; W323-L329 WeakPolarHBondContact CA-O 3.2Å; W323-M345 PolarHBondContact NE1-O 2.83Å; W323-A346 HydrophobicContact CZ2-CB 3.93Å; W323-A346 WeakPolarHBondContact CZ2-O 3.37Å; W323-H349 HydrophobicContact CH2-CB 4.26Å; W323-H349 WeakPolarHBondContact CH2-O 3.25Å; W323-H349 HydrophobicContact CZ2-CB 4.2Å; W323-V403 WeakPolarHBondContact O-CG2 3.11Å
324	S	97.9	Very high	97.3	Very high	30 Å²	30	31.7 Å²	31.7	21%	0.21	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.3	172	171.1	0	0	0	0	111.5	E326 G328 L329	S324-E326 PolarHBondContact O-N 2.9Å; S324-G328 CarbonylContact O-C 3.49Å; S324-G328 WeakPolarHBondContact O-CA 3.34Å; S324-G328 PolarHBondContact O-N 2.98Å; S324-L329 PolarHBondContact N-O 2.92Å; S324-L329 PolarHBondContact O-N 2.87Å; S324-L329 VanDerWaalsContact O-N 3.13Å
325	S	97.1	Very high	97.4	Very high	11 Å²	11	32.1 Å²	32.1	8%	0.077	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-34.9	-179	-176.9	0	0	0	0	113.7	S254 Q327 G328 G348 H349	S254-S325 WeakPolarHBondContact O-CB 3.37Å; S254-S325 PolarHBondContact O-N 3.25Å; S325-Q327 VanDerWaalsContact C-N 3.31Å; S325-Q327 PolarHBondContact O-N 2.81Å; S325-G328 PolarHBondContact O-N 2.79Å; S325-G348 PolarHBondContact O-N 2.87Å; S325-G348 WeakPolarHBondContact OG-CA 3.44Å; S325-G348 PolarHBondContact OG-N 2.76Å; S325-H349 WeakPolarHBondContact CB-O 3.46Å; S325-H349 PolarHBondContact OG-N 2.74Å; S325-H349 VanDerWaalsContact OG-N 3.09Å; S325-H349 PolarHBondContact OG-O 2.97Å
326	E	94.8	Very high	97.5	Very high	150 Å²	150	25.9 Å²	25.9	70%	0.701	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	-48.2	-172.2	-173.7	-170.6	161.9	0	0	112.4	S324 K347	S324-E326 PolarHBondContact O-N 2.9Å; E326-K347 VanDerWaalsContact O-CE 3.26Å; E326-K347 WeakPolarHBondContact O-CE 3.48Å
327	Q	92.8	Very high	97.6	Very high	118 Å²	118	30.2 Å²	30.2	55%	0.551	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-2.3	178.1	-59	-175.9	3.7	0	0	112.6	S325 L329 G344	S325-Q327 VanDerWaalsContact C-N 3.31Å; S325-Q327 PolarHBondContact O-N 2.81Å; Q327-L329 PolarHBondContact O-N 2.87Å; Q327-G344 PolarHBondContact O-N 2.82Å
328	G	96.3	Very high	97.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	34.8	-170.1	0	0	0	0	0	112.3	S324 S325 A330 P343 G344 M345	S324-G328 CarbonylContact O-C 3.49Å; S324-G328 WeakPolarHBondContact O-CA 3.34Å; S324-G328 PolarHBondContact O-N 2.98Å; S325-G328 PolarHBondContact O-N 2.79Å; G328-A330 PolarHBondContact O-N 3.04Å; G328-P343 CarbonylContact O-C 3.57Å; G328-G344 PolarHBondContact O-N 2.98Å; G328-M345 CarbonylContact C-O 3.58Å; G328-M345 WeakPolarHBondContact CA-O 3.38Å; G328-M345 PolarHBondContact O-N 3.22Å
329	L	97.6	Very high	97.6	Very high	68 Å²	68	39.1 Å²	39.1	36%	0.356	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	107.7	-176.1	179.8	63	0	0	0	109.5	W323 S324 Q327 T331 P343	W323-L329 VanDerWaalsContact CA-O 3.29Å; W323-L329 WeakPolarHBondContact CA-O 3.2Å; S324-L329 PolarHBondContact N-O 2.92Å; S324-L329 PolarHBondContact O-N 2.87Å; S324-L329 VanDerWaalsContact O-N 3.13Å; Q327-L329 PolarHBondContact O-N 2.87Å; L329-T331 HydrophobicContact CD1-CG2 4.45Å; L329-T331 HydrophobicContact CG-CG2 4.22Å; L329-P343 HydrophobicContact CD1-CB 4.46Å
330	A	98.3	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	137.7	169.3	0	0	0	0	0	110.5	F296 A322 G328 S341 K342 M345	F296-A330 HydrophobicContact CD1-CB 4.4Å; F296-A330 HydrophobicContact CE1-CB 4.33Å; A322-A330 CarbonylContact O-C 3.58Å; A322-A330 WeakPolarHBondContact O-CA 3.07Å; G328-A330 PolarHBondContact O-N 3.04Å; A330-S341 CarbonylContact O-C 3.52Å; A330-S341 WeakPolarHBondContact O-CA 3.27Å; A330-K342 PolarHBondContact N-O 3.27Å; A330-K342 PolarHBondContact O-N 3.36Å; A330-M345 HydrophobicContact CB-CB 4.2Å; A330-M345 HydrophobicContact CB-CE 3.76Å; A330-M345 HydrophobicContact CB-CG 4.45Å; A330-M345 HydrophobicContact CB-SD 3.51Å; A330-M345 VanDerWaalsContact CB-SD 3.51Å
331	T	98.6	Very high	97.5	Very high	12 Å²	12	43.4 Å²	43.4	7%	0.074	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	143.8	174.7	61.9	0	0	0	0	110.6	G321 A322 L329 W333 K338 A340	G321-T331 WeakPolarHBondContact CA-O 3.05Å; A322-T331 PolarHBondContact N-O 2.83Å; A322-T331 PolarHBondContact O-N 3.47Å; L329-T331 HydrophobicContact CD1-CG2 4.45Å; L329-T331 HydrophobicContact CG-CG2 4.22Å; T331-W333 PolarHBondContact OG1-NE1 2.92Å; T331-K338 HydrophobicContact CG2-CD 4.41Å; T331-A340 WeakPolarHBondContact CA-O 3.44Å
332	L	98.8	Very high	97.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	127.6	177.1	177.4	60.8	0	0	0	109.4	L287 A294 F296 V305 A307 C320 M339 A340	L287-L332 HydrophobicContact CD1-CD1 3.87Å; A294-L332 HydrophobicContact CB-CD2 4.16Å; A294-L332 VanDerWaalsContact O-CD2 3.27Å; A294-L332 WeakPolarHBondContact O-CD2 3.35Å; F296-L332 HydrophobicContact CB-CD1 4.18Å; V305-L332 HydrophobicContact CG1-CB 3.76Å; A307-L332 HydrophobicContact CB-CD2 3.72Å; A307-L332 HydrophobicContact CB-CG 4.24Å; C320-L332 WeakPolarHBondContact O-CA 3.46Å; C320-L332 WeakPolarHBondContact O-CD1 3.35Å; L332-M339 PolarHBondContact O-N 2.84Å; L332-A340 PolarHBondContact N-O 3.09Å; L332-A340 PolarHBondContact O-N 3.07Å
333	W	98.7	Very high	97.3	Very high	10 Å²	10	51.1 Å²	51.1	4%	0.038	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	139.3	-174.7	-58.1	73.3	0	0	0	110.2	L319 C320 T331 K337 K338 E406 I409	L319-W333 WeakPolarHBondContact CA-O 3.45Å; C320-W333 HydrophobicContact CB-CB 4.08Å; C320-W333 PolarHBondContact N-O 2.88Å; C320-W333 PolarHBondContact O-N 2.93Å; T331-W333 PolarHBondContact OG1-NE1 2.92Å; W333-K337 CarbonylContact C-O 3.49Å; W333-K337 WeakPolarHBondContact CA-O 3.23Å; W333-K338 HydrophobicContact CD2-CB 3.88Å; W333-K338 HydrophobicContact CD2-CG 4.28Å; W333-K338 HydrophobicContact CE3-CB 3.73Å; W333-K338 HydrophobicContact CH2-CB 3.74Å; W333-K338 HydrophobicContact CH2-CD 4.44Å; W333-K338 HydrophobicContact CH2-CG 4.31Å; W333-K338 HydrophobicContact CZ2-CB 3.94Å; W333-K338 HydrophobicContact CZ2-CD 4.16Å; W333-K338 HydrophobicContact CZ2-CG 4.02Å; W333-K338 HydrophobicContact CZ3-CB 3.63Å; W333-E406 HydrophobicContact CH2-CB 3.73Å; W333-E406 HydrophobicContact CH2-CG 4Å; W333-E406 HydrophobicContact CZ3-CB 3.98Å; W333-E406 HydrophobicContact CZ3-CG 3.77Å; W333-I409 HydrophobicContact CB-CG2 4.01Å; W333-I409 HydrophobicContact CD2-CD1 3.77Å; W333-I409 HydrophobicContact CD2-CG2 4.02Å; W333-I409 HydrophobicContact CE3-CB 4.46Å; W333-I409 HydrophobicContact CE3-CD1 4.31Å; W333-I409 HydrophobicContact CE3-CG2 3.91Å; W333-I409 HydrophobicContact CG-CD1 4.01Å; W333-I409 HydrophobicContact CG-CG2 4.08Å; W333-I409 HydrophobicContact CZ2-CD1 4.05Å
334	V	98.4	Very high	97.2	Very high	19 Å²	19	53.4 Å²	53.4	12%	0.115	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	127.2	176.4	-175.8	0	0	0	0	109	A307 V310 I317 H318 L319 G336 K337 M339	A307-V334 HydrophobicContact CB-CG2 4.16Å; V310-V334 HydrophobicContact CB-CG1 4.09Å; V310-V334 HydrophobicContact CB-CG2 4.21Å; V310-V334 HydrophobicContact CG1-CB 4.47Å; V310-V334 HydrophobicContact CG1-CG1 4.36Å; V310-V334 HydrophobicContact CG1-CG2 4.09Å; V310-V334 HydrophobicContact CG2-CG2 4.17Å; I317-V334 HydrophobicContact CD1-CG1 3.69Å; I317-V334 HydrophobicContact CG1-CG1 3.72Å; H318-V334 WeakPolarHBondContact O-CA 3.34Å; L319-V334 HydrophobicContact CD2-CB 4.48Å; L319-V334 HydrophobicContact CD2-CG1 4.35Å; L319-V334 HydrophobicContact CD2-CG2 3.78Å; V334-G336 PolarHBondContact O-N 3.11Å; V334-G336 VanDerWaalsContact O-N 3.15Å; V334-K337 PolarHBondContact N-O 3.01Å; V334-K337 PolarHBondContact O-N 2.86Å; V334-M339 HydrophobicContact CB-CG 3.58Å; V334-M339 HydrophobicContact CG2-CB 4.27Å; V334-M339 HydrophobicContact CG2-CG 3.59Å
335	G	96.8	Very high	97	Very high	45 Å²	45	52 Å²	52	46%	0.464	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	32.7	178	0	0	0	0	0	113.4	H318 K337 A413	H318-G335 PolarHBondContact O-N 2.9Å; G335-K337 VanDerWaalsContact C-N 3.32Å; G335-K337 PolarHBondContact O-N 3.48Å; G335-A413 VanDerWaalsContact C-CB 3.47Å
336	G	96.6	Very high	96.9	Very high	2 Å²	2	52.9 Å²	52.9	2%	0.021	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-7.7	178.7	0	0	0	0	0	114.5	V334 S410	V334-G336 PolarHBondContact O-N 3.11Å; V334-G336 VanDerWaalsContact O-N 3.15Å; G336-S410 PolarHBondContact O-OG 3.22Å
337	K	97.9	Very high	97	Very high	147 Å²	147	52.6 Å²	52.6	64%	0.639	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	141.3	-176.2	-62.4	-178.7	-178.1	178.9	0	111.5	W333 V334 G335 M339	W333-K337 CarbonylContact C-O 3.49Å; W333-K337 WeakPolarHBondContact CA-O 3.23Å; V334-K337 PolarHBondContact N-O 3.01Å; V334-K337 PolarHBondContact O-N 2.86Å; G335-K337 VanDerWaalsContact C-N 3.32Å; G335-K337 PolarHBondContact O-N 3.48Å; K337-M339 HydrophobicContact CB-SD 4.33Å; K337-M339 PolarHBondContact O-N 2.93Å
338	K	98.4	Very high	97.1	Very high	110 Å²	110	49.9 Å²	49.9	48%	0.478	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	115.1	176.3	-166.3	-175.1	-54.9	172.1	0	109.1	T331 W333	T331-K338 HydrophobicContact CG2-CD 4.41Å; W333-K338 HydrophobicContact CD2-CB 3.88Å; W333-K338 HydrophobicContact CD2-CG 4.28Å; W333-K338 HydrophobicContact CE3-CB 3.73Å; W333-K338 HydrophobicContact CH2-CB 3.74Å; W333-K338 HydrophobicContact CH2-CD 4.44Å; W333-K338 HydrophobicContact CH2-CG 4.31Å; W333-K338 HydrophobicContact CZ2-CB 3.94Å; W333-K338 HydrophobicContact CZ2-CD 4.16Å; W333-K338 HydrophobicContact CZ2-CG 4.02Å; W333-K338 HydrophobicContact CZ3-CB 3.63Å
339	M	98.1	Very high	97	Very high	98 Å²	98	52.8 Å²	52.8	48%	0.483	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-30	-177.2	-62.4	-51.3	-60.2	0	0	112.5	A307 V310 L332 V334 K337	A307-M339 HydrophobicContact CB-CB 3.63Å; A307-M339 HydrophobicContact CB-CG 4.39Å; V310-M339 HydrophobicContact CG1-CE 4.5Å; L332-M339 PolarHBondContact O-N 2.84Å; V334-M339 HydrophobicContact CB-CG 3.58Å; V334-M339 HydrophobicContact CG2-CB 4.27Å; V334-M339 HydrophobicContact CG2-CG 3.59Å; K337-M339 HydrophobicContact CB-SD 4.33Å; K337-M339 PolarHBondContact O-N 2.93Å
340	A	97.8	Very high	96.7	Very high	19 Å²	19	54.5 Å²	54.5	16%	0.157	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	154.7	-179.9	0	0	0	0	0	111.7	V305 E306 T331 L332	V305-A340 HydrophobicContact CG2-CB 3.54Å; E306-A340 VanDerWaalsContact O-CB 3.23Å; E306-A340 WeakPolarHBondContact O-CB 3.44Å; T331-A340 WeakPolarHBondContact CA-O 3.44Å; L332-A340 PolarHBondContact N-O 3.09Å; L332-A340 PolarHBondContact O-N 3.07Å
341	S	97.8	Very high	96.4	Very high	72 Å²	72	54.6 Å²	54.6	50%	0.503	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	146.4	175.7	61.1	0	0	0	0	111.2	A330	A330-S341 CarbonylContact O-C 3.52Å; A330-S341 WeakPolarHBondContact O-CA 3.27Å
342	K	97	Very high	96	Very high	69 Å²	69	55.8 Å²	55.8	30%	0.3	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	117.2	176.4	-173.6	175.6	-178.9	-168.9	0	110.4	S303 Q304 V305 A330 M345	S303-K342 PolarHBondContact OG-NZ 3.39Å; Q304-K342 WeakPolarHBondContact O-CD 3.11Å; V305-K342 HydrophobicContact CB-CB 4.26Å; V305-K342 HydrophobicContact CG2-CB 4.15Å; A330-K342 PolarHBondContact N-O 3.27Å; A330-K342 PolarHBondContact O-N 3.36Å; K342-M345 HydrophobicContact CB-CE 4.24Å; K342-M345 HydrophobicContact CD-CE 3.79Å; K342-M345 HydrophobicContact CG-CE 4.4Å
343	P	96.1	Very high	95.5	Very high	93 Å²	93	61.7 Å²	61.7	60%	0.604	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	162.6	172	32.8	-34.5	0	0	0	111.7	G328 L329 M345	G328-P343 CarbonylContact O-C 3.57Å; L329-P343 HydrophobicContact CD1-CB 4.46Å; P343-M345 PolarHBondContact O-N 3.12Å
344	G	94.6	Very high	94.8	Very high	49 Å²	49	64.6 Å²	64.6	51%	0.505	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	3	175.2	0	0	0	0	0	116	Q327 G328 A346	Q327-G344 PolarHBondContact O-N 2.82Å; G328-G344 PolarHBondContact O-N 2.98Å; G344-A346 PolarHBondContact O-N 3.34Å
345	M	95.4	Very high	94.2	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	118.6	174.3	-173.8	179.5	-61.8	0	0	109.6	V298 S303 V305 W323 G328 A330 K342 P343 K347	V298-M345 HydrophobicContact CB-CG 4.43Å; V298-M345 HydrophobicContact CB-SD 4.09Å; V298-M345 HydrophobicContact CG2-SD 4.29Å; S303-M345 WeakPolarHBondContact O-CE 3.47Å; V305-M345 HydrophobicContact CB-CE 4.32Å; W323-M345 PolarHBondContact NE1-O 2.83Å; G328-M345 CarbonylContact C-O 3.58Å; G328-M345 WeakPolarHBondContact CA-O 3.38Å; G328-M345 PolarHBondContact O-N 3.22Å; A330-M345 HydrophobicContact CB-CB 4.2Å; A330-M345 HydrophobicContact CB-CE 3.76Å; A330-M345 HydrophobicContact CB-CG 4.45Å; A330-M345 HydrophobicContact CB-SD 3.51Å; A330-M345 VanDerWaalsContact CB-SD 3.51Å; K342-M345 HydrophobicContact CB-CE 4.24Å; K342-M345 HydrophobicContact CD-CE 3.79Å; K342-M345 HydrophobicContact CG-CE 4.4Å; P343-M345 PolarHBondContact O-N 3.12Å; M345-K347 PolarHBondContact O-N 3.27Å; M345-K347 VanDerWaalsContact O-N 3.14Å
346	A	94.8	Very high	93.8	Very high	29 Å²	29	64.7 Å²	64.7	24%	0.24	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	37.5	-179.5	0	0	0	0	0	113.9	V298 W323 G344 G348 H349	V298-A346 HydrophobicContact CG1-CB 4.33Å; W323-A346 HydrophobicContact CZ2-CB 3.93Å; W323-A346 WeakPolarHBondContact CZ2-O 3.37Å; G344-A346 PolarHBondContact O-N 3.34Å; A346-G348 PolarHBondContact O-N 3.23Å; A346-H349 HydrophobicContact CB-CB 3.88Å; A346-H349 WeakPolarHBondContact O-CB 3.44Å; A346-H349 PolarHBondContact O-N 2.92Å
347	K	96.1	Very high	93.7	Very high	145 Å²	145	64.8 Å²	64.8	63%	0.63	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	133.3	-177	-174.9	-176.8	176.7	-177.4	0	112	E326 M345 H349	E326-K347 VanDerWaalsContact O-CE 3.26Å; E326-K347 WeakPolarHBondContact O-CE 3.48Å; M345-K347 PolarHBondContact O-N 3.27Å; M345-K347 VanDerWaalsContact O-N 3.14Å; K347-H349 PolarHBondContact O-N 2.9Å
348	G	94.9	Very high	93.5	Very high	60 Å²	60	58.2 Å²	58.2	62%	0.619	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	4.4	-178.9	0	0	0	0	0	114.2	S325 A346	S325-G348 PolarHBondContact O-N 2.87Å; S325-G348 WeakPolarHBondContact OG-CA 3.44Å; S325-G348 PolarHBondContact OG-N 2.76Å; A346-G348 PolarHBondContact O-N 3.23Å
349	H	93.5	Very high	93.4	Very high	61 Å²	61	53 Å²	53	28%	0.282	34%	0.336	S	S	.	.			trans	-76.1	149.2	177.9	-168.9	58.6	0	0	0	111.4	E284 W323 S325 A346 K347	E284-H349 IonicContact OE1-CD2 3.92Å; E284-H349 IonicContact OE1-CE1 2.85Å; E284-H349 IonicContact OE1-NE2 3.89Å; E284-H349 PolarHBondContact OE1-NE2 3.15Å; W323-H349 HydrophobicContact CH2-CB 4.26Å; W323-H349 WeakPolarHBondContact CH2-O 3.25Å; W323-H349 HydrophobicContact CZ2-CB 4.2Å; S325-H349 WeakPolarHBondContact CB-O 3.46Å; S325-H349 PolarHBondContact OG-N 2.74Å; S325-H349 VanDerWaalsContact OG-N 3.09Å; S325-H349 PolarHBondContact OG-O 2.97Å; A346-H349 HydrophobicContact CB-CB 3.88Å; A346-H349 WeakPolarHBondContact O-CB 3.44Å; A346-H349 PolarHBondContact O-N 2.92Å; K347-H349 PolarHBondContact O-N 2.9Å
350	N	92.9	Very high	93.3	Very high	104 Å²	104	48.3 Å²	48.3	56%	0.556	31%	0.313	S	S	*	.			trans	-122.1	130.8	168.4	-76.4	-28.1	0	0	0	107.4	S254	S254-N350 WeakPolarHBondContact CB-OD1 3.34Å
351	L	91.9	Very high	92.9	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.016	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-60.7	124.8	178.1	-72.3	172.3	0	0	0	109.1	L251 A252 L253 F256 Y276 E284 I285	L251-L351 VanDerWaalsContact O-CB 3.3Å; L251-L351 WeakPolarHBondContact O-CB 3.33Å; A252-L351 WeakPolarHBondContact CA-O 3.33Å; L253-L351 HydrophobicContact CB-CB 4.45Å; L253-L351 HydrophobicContact CB-CD1 3.98Å; L253-L351 WeakPolarHBondContact O-CB 3.49Å; L253-L351 PolarHBondContact O-N 2.94Å; F256-L351 HydrophobicContact CD1-CD1 3.49Å; F256-L351 VanDerWaalsContact CD1-CD1 3.49Å; F256-L351 HydrophobicContact CE1-CD1 3.5Å; F256-L351 VanDerWaalsContact CE1-CD1 3.5Å; F256-L351 HydrophobicContact CE1-CG 4.41Å; F256-L351 HydrophobicContact CG-CD1 4.46Å; F256-L351 HydrophobicContact CZ-CD1 4.45Å; Y276-L351 HydrophobicContact CD1-CD2 4.48Å; E284-L351 HydrophobicContact CG-CD2 3.66Å; I285-L351 HydrophobicContact CD1-CD1 3.6Å; I285-L351 HydrophobicContact CD1-CD2 3.93Å; I285-L351 HydrophobicContact CD1-CG 4.45Å; I285-L351 HydrophobicContact CG1-CD1 4.36Å; I285-L351 HydrophobicContact CG1-CD2 3.84Å
352	P	89.1	Confident	92.4	Very high	36 Å²	36	45.2 Å²	45.2	23%	0.234	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-73.4	145.4	-176	28.3	-33.3	0	0	0	110.4	Y276 E284	Y276-P352 PolarHBondContact OH-O 3.21Å; E284-P352 WeakPolarHBondContact OE1-CD 3.22Å
353	E	88.7	Confident	91.1	Very high	124 Å²	124	43.2 Å²	43.2	58%	0.579	28%	0.277	S	S	*	.	S	Bend	trans	-71.8	169.8	170	-62.6	-174.8	168.8	0	0	112.6	P250 A252 G355	P250-E353 HydrophobicContact CB-CG 4.19Å; A252-E353 HydrophobicContact CB-CG 3.65Å; A252-E353 WeakPolarHBondContact CB-OE1 3.44Å; E353-G355 PolarHBondContact O-N 2.96Å
354	G	83.6	Confident	89.3	Confident	72 Å²	72	40.3 Å²	40.3	74%	0.742	26%	0.257	S	S	*	.	S	Bend	trans	73.9	12.9	176.2	0	0	0	0	0	114.1
355	G	87.3	Confident	87.3	Confident	22 Å²	22	39.9 Å²	39.9	23%	0.227	25%	0.253	C	S	.	.			trans	-77.2	-170.8	167.4	0	0	0	0	0	112.5	Y276 G277 E353 R363	Y276-G355 VanDerWaalsContact OH-CA 3.29Å; Y276-G355 WeakPolarHBondContact OH-CA 3.06Å; Y276-G355 PolarHBondContact OH-N 2.82Å; G277-G355 CarbonylContact O-C 3.58Å; G277-G355 WeakPolarHBondContact O-CA 3.29Å; E353-G355 PolarHBondContact O-N 2.96Å; G355-R363 VanDerWaalsContact CA-NH1 3.33Å
356	S	88.4	Confident	85	Confident	43 Å²	43	43.2 Å²	43.2	30%	0.301	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	142.4	179.3	71.5	0	0	0	0	108.1	Y276 G277 R363	Y276-S356 WeakPolarHBondContact CD2-O 3.33Å; G277-S356 PolarHBondContact N-O 2.93Å; G277-S356 PolarHBondContact O-N 2.95Å; S356-R363 VanDerWaalsContact CB-NH1 3.3Å; S356-R363 WeakPolarHBondContact OG-CD 3.45Å; S356-R363 PolarHBondContact OG-NE 2.94Å; S356-R363 VanDerWaalsContact OG-NE 3.16Å; S356-R363 PolarHBondContact OG-NH1 2.85Å
357	L	93	Very high	82.7	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.6	-175.1	-166.3	69	0	0	0	109.4	I245 P247 F274 Y276 V427	I245-L357 HydrophobicContact CB-CB 4.1Å; I245-L357 HydrophobicContact CB-CD2 3.93Å; I245-L357 HydrophobicContact CB-CG 4.13Å; I245-L357 HydrophobicContact CD1-CD2 3.82Å; I245-L357 HydrophobicContact CD1-CG 4.03Å; I245-L357 HydrophobicContact CG1-CD2 4.45Å; I245-L357 HydrophobicContact CG2-CD2 3.93Å; I245-L357 PolarHBondContact N-O 2.78Å; P247-L357 HydrophobicContact CG-CD2 4.29Å; F274-L357 HydrophobicContact CD1-CD1 4.34Å; F274-L357 HydrophobicContact CD2-CD1 4.4Å; F274-L357 HydrophobicContact CE1-CD1 3.51Å; F274-L357 HydrophobicContact CE2-CD1 3.6Å; F274-L357 HydrophobicContact CE2-CD2 3.74Å; F274-L357 HydrophobicContact CE2-CG 3.85Å; F274-L357 HydrophobicContact CZ-CD1 3.09Å; F274-L357 HydrophobicContact CZ-CD2 3.8Å; F274-L357 HydrophobicContact CZ-CG 3.84Å; Y276-L357 HydrophobicContact CD2-CB 4.39Å; Y276-L357 HydrophobicContact CD2-CD1 4.04Å; Y276-L357 HydrophobicContact CG-CD1 4.29Å; L357-V427 HydrophobicContact CD2-CG2 3.58Å
358	Q	93.9	Very high	80.3	Confident	10 Å²	10	43 Å²	43	5%	0.047	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	157	-176.3	59.3	176.8	78.6	0	0	112.9	T243 S275 Q361 E362 R363	T243-Q358 CarbonylContact O-C 3.57Å; T243-Q358 VanDerWaalsContact O-CA 3.23Å; T243-Q358 WeakPolarHBondContact O-CA 3.37Å; S275-Q358 PolarHBondContact N-O 3.32Å; S275-Q358 PolarHBondContact O-N 2.82Å; Q358-Q361 VanDerWaalsContact NE2-CB 3.32Å; Q358-Q361 PolarHBondContact NE2-O 2.9Å; Q358-E362 PolarHBondContact NE2-O 2.89Å; Q358-E362 VanDerWaalsContact NE2-O 3.16Å; Q358-R363 HydrophobicContact CG-CB 4.42Å; Q358-R363 VanDerWaalsContact OE1-CA 3.3Å
359	L	97.7	Very high	77.9	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145.7	175.8	-55.9	175.8	0	0	0	111.5	L232 F234 Y242 T243 I245 L273 F274 Q361 M394 V397	L232-L359 HydrophobicContact CD1-CD1 3.65Å; F234-L359 HydrophobicContact CZ-CB 4Å; Y242-L359 WeakPolarHBondContact CA-O 3.13Å; T243-L359 PolarHBondContact N-O 2.91Å; T243-L359 VanDerWaalsContact N-O 3.12Å; T243-L359 PolarHBondContact O-N 3.31Å; I245-L359 HydrophobicContact CD1-CD1 4.07Å; I245-L359 HydrophobicContact CD1-CD2 3.85Å; I245-L359 HydrophobicContact CD1-CG 3.74Å; I245-L359 HydrophobicContact CG1-CD1 4.45Å; I245-L359 HydrophobicContact CG1-CG 4.21Å; L273-L359 CarbonylContact O-C 3.39Å; L273-L359 VanDerWaalsContact O-CA 3.25Å; L273-L359 WeakPolarHBondContact O-CA 3.4Å; F274-L359 HydrophobicContact CB-CD2 4.13Å; F274-L359 HydrophobicContact CD2-CD2 3.69Å; F274-L359 HydrophobicContact CG-CD2 4.36Å; L359-Q361 PolarHBondContact O-N 2.88Å; L359-M394 HydrophobicContact CB-SD 4.26Å; L359-V397 HydrophobicContact CD1-CG1 4.41Å; L359-V397 HydrophobicContact CD1-CG2 4.05Å; L359-V397 HydrophobicContact CD2-CG1 4.13Å
360	G	95	Very high	75.1	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	75.9	0.3	169.9	0	0	0	0	0	116.3	V272 L273 A389 F390	V272-G360 CarbonylContact O-C 3.48Å; V272-G360 WeakPolarHBondContact O-CA 3.21Å; L273-G360 PolarHBondContact O-N 2.84Å; G360-A389 CarbonylContact O-C 3.58Å; G360-A389 WeakPolarHBondContact O-CA 3.37Å; G360-F390 PolarHBondContact O-N 3.17Å
361	Q	90.3	Very high	72.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	32%	0.317	C	S	.	.	S	Bend	trans	-147.7	156.1	175.3	-89.6	-66	-3.2	0	0	110.6	S238 V272 S275 Q358 L359 F384 D385	S238-Q361 PolarHBondContact O-NE2 3.08Å; V272-Q361 WeakPolarHBondContact CG1-O 3.42Å; S275-Q361 WeakPolarHBondContact CB-O 3.27Å; Q358-Q361 VanDerWaalsContact NE2-CB 3.32Å; Q358-Q361 PolarHBondContact NE2-O 2.9Å; L359-Q361 PolarHBondContact O-N 2.88Å; Q361-F384 HydrophobicContact CB-CD1 3.76Å; Q361-F384 HydrophobicContact CB-CE1 4.05Å; Q361-F384 HydrophobicContact CB-CG 4.47Å; Q361-F384 HydrophobicContact CG-CB 4.38Å; Q361-F384 HydrophobicContact CG-CD1 3.96Å; Q361-F384 HydrophobicContact CG-CG 4.2Å; Q361-D385 PolarHBondContact NE2-O 2.94Å; Q361-D385 PolarHBondContact OE1-O 2.97Å
362	E	85.6	Confident	70	Confident	25 Å²	25	54.3 Å²	54.3	12%	0.117	35%	0.351	C	S	.	.			trans	-73.5	140.1	165.9	-177.7	170.8	-96.7	0	0	109.8	K270 V272 S283 Q286 Q358 N364 F384 L388	K270-E362 IonicContact NZ-OE1 3.8Å; K270-E362 PolarHBondContact NZ-OE1 2.96Å; V272-E362 HydrophobicContact CG2-CB 4.17Å; S283-E362 PolarHBondContact OG-OE1 3.16Å; Q286-E362 PolarHBondContact NE2-OE1 3.27Å; Q358-E362 PolarHBondContact NE2-O 2.89Å; Q358-E362 VanDerWaalsContact NE2-O 3.16Å; E362-N364 PolarHBondContact O-N 3.4Å; E362-N364 VanDerWaalsContact O-N 3.08Å; E362-N364 PolarHBondContact O-OD1 2.86Å; E362-F384 WeakPolarHBondContact O-CD1 3.48Å; E362-F384 WeakPolarHBondContact O-CE1 3.46Å; E362-L388 HydrophobicContact CB-CD1 3.92Å; E362-L388 WeakPolarHBondContact OE2-CD1 3.27Å
363	R	70.9	Confident	67.7	Low	28 Å²	28	57.1 Å²	57.1	11%	0.106	37%	0.372	C	S	.	.			trans	-69.8	106.2	171.7	-174	-158.1	170.1	142.3	9.7	109.8	S275 G277 P282 G355 S356 Q358 G365	S275-R363 PolarHBondContact OG-N 3.13Å; G277-R363 VanDerWaalsContact C-CD 3.42Å; G277-R363 VanDerWaalsContact O-CD 3.29Å; G277-R363 WeakPolarHBondContact O-CD 3.19Å; G277-R363 PolarHBondContact O-NH1 3.16Å; P282-R363 WeakPolarHBondContact CB-O 3.41Å; G355-R363 VanDerWaalsContact CA-NH1 3.33Å; S356-R363 VanDerWaalsContact CB-NH1 3.3Å; S356-R363 WeakPolarHBondContact OG-CD 3.45Å; S356-R363 PolarHBondContact OG-NE 2.94Å; S356-R363 VanDerWaalsContact OG-NE 3.16Å; S356-R363 PolarHBondContact OG-NH1 2.85Å; Q358-R363 HydrophobicContact CG-CB 4.42Å; Q358-R363 VanDerWaalsContact OE1-CA 3.3Å; R363-G365 PolarHBondContact NE-O 2.93Å; R363-G365 PolarHBondContact NH2-O 2.83Å
364	N	57.7	Low	65.3	Low	31 Å²	31	55.1 Å²	55.1	17%	0.166	38%	0.384	C	S	.	.			trans	-123.3	111	167.8	29.8	41.6	0	0	0	106.7	E362 S383 F384	E362-N364 PolarHBondContact O-N 3.4Å; E362-N364 VanDerWaalsContact O-N 3.08Å; E362-N364 PolarHBondContact O-OD1 2.86Å; N364-S383 WeakPolarHBondContact CB-O 3.44Å; N364-S383 VanDerWaalsContact CG-C 3.43Å; N364-S383 PolarHBondContact ND2-O 3.44Å; N364-S383 VanDerWaalsContact ND2-O 3.12Å; N364-S383 WeakPolarHBondContact O-CB 3.25Å; N364-S383 PolarHBondContact O-OG 3.11Å; N364-S383 PolarHBondContact OD1-O 2.54Å; N364-F384 WeakPolarHBondContact OD1-CA 3.4Å; N364-F384 WeakPolarHBondContact OD1-CD1 3.3Å; N364-F384 WeakPolarHBondContact OD1-CE1 3.34Å; N364-F384 WeakPolarHBondContact OD1-CG 3.34Å; N364-F384 PolarHBondContact OD1-N 3.19Å
365	G	53.6	Low	63.4	Low	41 Å²	41	57.7 Å²	57.7	42%	0.423	39%	0.391	S	S	.	.			trans	153	95.1	-170.6	0	0	0	0	0	111.1	R363 C367	R363-G365 PolarHBondContact NE-O 2.93Å; R363-G365 PolarHBondContact NH2-O 2.83Å; G365-C367 VanDerWaalsContact C-N 3.33Å
366	C	47	Very low	61.1	Low	69 Å²	69	59.5 Å²	59.5	47%	0.466	41%	0.409	S	S	.	.	S	Bend	trans	-70.2	-27.8	179.9	165.8	0	0	0	0	112.1	R279	R279-C366 VanDerWaalsContact CG-O 3.29Å; R279-C366 WeakPolarHBondContact CG-O 3.4Å; R279-C366 PolarHBondContact NE-O 2.87Å; R279-C366 VanDerWaalsContact NE-O 3.07Å
367	C	46.1	Very low	58.6	Low	56 Å²	56	63 Å²	63	38%	0.378	43%	0.428	S	S	.	.	S	Bend	trans	-154.4	152.8	-178.4	-59.7	0	0	0	0	111.1	R279 G365 L369	R279-C367 PolarHBondContact NH2-SG 2.9Å; G365-C367 VanDerWaalsContact C-N 3.33Å; C367-L369 PolarHBondContact O-N 2.89Å
368	P	46	Very low	56.1	Low	115 Å²	115	67.8 Å²	67.8	75%	0.747	47%	0.469	S	S	*	.	S	Bend	trans	-64.6	113.1	145.4	11.4	2.4	0	0	0	107.4
369	L	44.3	Very low	53.6	Low	149 Å²	149	70.2 Å²	70.2	78%	0.78	50%	0.497	S	S	*	.			trans	52.9	109.1	165.2	-59.7	161.8	0	0	0	117.5	C367	C367-L369 PolarHBondContact O-N 2.89Å
370	S	33.5	Very low	51.1	Low	66 Å²	66	77.5 Å²	77.5	46%	0.462	53%	0.529	S	S	.	.			trans	-86.4	129.8	145.2	-170.5	0	0	0	0	107.6	T372	S370-T372 PolarHBondContact O-N 3Å; S370-T372 PolarHBondContact OG-OG1 3Å
371	P	40.2	Very low	49	Very low	130 Å²	130	84.3 Å²	84.3	84%	0.844	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	-3.4	179.3	-15.8	29.1	0	0	0	114
372	T	37	Very low	47.3	Very low	120 Å²	120	88 Å²	88	74%	0.736	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	-4.2	-168.4	50.2	0	0	0	0	114.7	S370 G374	S370-T372 PolarHBondContact O-N 3Å; S370-T372 PolarHBondContact OG-OG1 3Å; T372-G374 VanDerWaalsContact C-N 3.33Å; T372-G374 PolarHBondContact O-N 2.91Å; T372-G374 VanDerWaalsContact O-N 3.12Å
373	S	41.2	Very low	46.4	Very low	95 Å²	95	89 Å²	89	66%	0.664	61%	0.609	S	S	*	*			trans	-84.8	81.4	167.2	60.2	0	0	0	0	109.3	S375	S373-S375 PolarHBondContact O-N 3.22Å
374	G	39.6	Very low	46.8	Very low	82 Å²	82	88.7 Å²	88.7	85%	0.845	61%	0.608	S	S	*	*			trans	-67.9	51.1	-172.1	0	0	0	0	0	116.7	T372	T372-G374 VanDerWaalsContact C-N 3.33Å; T372-G374 PolarHBondContact O-N 2.91Å; T372-G374 VanDerWaalsContact O-N 3.12Å
375	S	43.1	Very low	48.1	Very low	125 Å²	125	90 Å²	90	87%	0.874	62%	0.615	S	S	*	*			trans	-159.8	53.4	167.6	-161.6	0	0	0	0	111.7	S373	S373-S375 PolarHBondContact O-N 3.22Å
376	G	38.6	Very low	49.8	Very low	60 Å²	60	89.9 Å²	89.9	62%	0.619	61%	0.607	S	S	*	*			trans	-124.4	98.9	178.4	0	0	0	0	0	110.5	A378	G376-A378 PolarHBondContact O-N 3.23Å
377	V	36.2	Very low	51.9	Low	116 Å²	116	94.1 Å²	94.1	70%	0.703	62%	0.617	S	S	*	*			trans	-59.3	126.7	159.5	177.8	0	0	0	0	106.9	G379 F380	V377-G379 PolarHBondContact O-N 2.78Å; V377-G379 VanDerWaalsContact O-N 3.08Å; V377-F380 PolarHBondContact O-N 2.83Å
378	A	40.3	Very low	54.1	Low	106 Å²	106	92.4 Å²	92.4	88%	0.876	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.8	118.1	173.7	0	0	0	0	0	109.2	G376	G376-A378 PolarHBondContact O-N 3.23Å
379	G	42.3	Very low	56.5	Low	61 Å²	61	87 Å²	87	63%	0.629	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	107.4	-0.2	-175.8	0	0	0	0	0	116.4	V377	V377-G379 PolarHBondContact O-N 2.78Å; V377-G379 VanDerWaalsContact O-N 3.08Å
380	F	43.7	Very low	59	Low	153 Å²	153	79.9 Å²	79.9	67%	0.671	53%	0.532	S	S	*	.			trans	-118.1	71.7	170.9	-102.5	-94	0	0	0	111.2	V377 G382	V377-F380 PolarHBondContact O-N 2.83Å; F380-G382 PolarHBondContact O-N 3.46Å
381	E	51.4	Low	62.1	Low	142 Å²	142	77 Å²	77	66%	0.664	51%	0.512	S	S	*	.			trans	-77.4	107.4	172.7	-70.6	179.8	158.4	0	0	110	S383	E381-S383 PolarHBondContact O-N 3.42Å
382	G	54.5	Low	64.8	Low	79 Å²	79	70.8 Å²	70.8	81%	0.814	47%	0.472	S	S	*	.			trans	-91.7	68.3	-179	0	0	0	0	0	113.2	F380	F380-G382 PolarHBondContact O-N 3.46Å
383	S	66.7	Low	67.7	Low	46 Å²	46	68.9 Å²	68.9	32%	0.322	45%	0.453	S	S	.	.			trans	-126.2	-36.1	176.8	74.2	0	0	0	0	115.6	N364 E381	N364-S383 WeakPolarHBondContact CB-O 3.44Å; N364-S383 VanDerWaalsContact CG-C 3.43Å; N364-S383 PolarHBondContact ND2-O 3.44Å; N364-S383 VanDerWaalsContact ND2-O 3.12Å; N364-S383 WeakPolarHBondContact O-CB 3.25Å; N364-S383 PolarHBondContact O-OG 3.11Å; N364-S383 PolarHBondContact OD1-O 2.54Å; E381-S383 PolarHBondContact O-N 3.42Å
384	F	79.1	Confident	70.4	Confident	21 Å²	21	64.3 Å²	64.3	9%	0.092	42%	0.422	C	S	.	.			trans	-78	141.6	-178.2	-63.5	-64.6	0	0	0	114.2	R239 Y242 Q361 E362 N364	R239-F384 HydrophobicContact CB-CB 4.14Å; R239-F384 WeakPolarHBondContact CD-O 3.13Å; R239-F384 WeakPolarHBondContact CG-O 3.34Å; R239-F384 VanDerWaalsContact O-CB 3.26Å; R239-F384 WeakPolarHBondContact O-CB 3.23Å; R239-F384 WeakPolarHBondContact O-CD2 3.37Å; Y242-F384 HydrophobicContact CD1-CD2 4.41Å; Y242-F384 AromaticContact CD1-CE2 3.85Å; Y242-F384 HydrophobicContact CD1-CE2 3.85Å; Y242-F384 HydrophobicContact CD1-CZ 4.29Å; Y242-F384 HydrophobicContact CE1-CD2 4.48Å; Y242-F384 AromaticContact CE1-CE2 3.7Å; Y242-F384 HydrophobicContact CE1-CE2 3.7Å; Y242-F384 HydrophobicContact CE1-CZ 4.29Å; Y242-F384 HydrophobicContact CG-CE2 4.46Å; Y242-F384 HydrophobicContact CG-CZ 4.47Å; Q361-F384 HydrophobicContact CB-CD1 3.76Å; Q361-F384 HydrophobicContact CB-CE1 4.05Å; Q361-F384 HydrophobicContact CB-CG 4.47Å; Q361-F384 HydrophobicContact CG-CB 4.38Å; Q361-F384 HydrophobicContact CG-CD1 3.96Å; Q361-F384 HydrophobicContact CG-CG 4.2Å; E362-F384 WeakPolarHBondContact O-CD1 3.48Å; E362-F384 WeakPolarHBondContact O-CE1 3.46Å; N364-F384 WeakPolarHBondContact OD1-CA 3.4Å; N364-F384 WeakPolarHBondContact OD1-CD1 3.3Å; N364-F384 WeakPolarHBondContact OD1-CE1 3.34Å; N364-F384 WeakPolarHBondContact OD1-CG 3.34Å; N364-F384 PolarHBondContact OD1-N 3.19Å
385	D	84.9	Confident	73.2	Confident	57 Å²	57	60.4 Å²	60.4	31%	0.305	38%	0.382	S	S	.	.			trans	-97.5	120.3	174.8	-174.8	-8.1	0	0	0	110.4	Q361 K387 L388 A389	Q361-D385 PolarHBondContact NE2-O 2.94Å; Q361-D385 PolarHBondContact OE1-O 2.97Å; D385-K387 PolarHBondContact O-N 3.01Å; D385-K387 WeakPolarHBondContact OD1-CB 3.38Å; D385-K387 WeakPolarHBondContact OD1-CG 3.34Å; D385-K387 PolarHBondContact OD1-N 2.84Å; D385-L388 HydrophobicContact CB-CB 4.47Å; D385-L388 HydrophobicContact CB-CD1 4.06Å; D385-L388 HydrophobicContact CB-CG 3.93Å; D385-L388 PolarHBondContact O-N 2.94Å; D385-A389 PolarHBondContact O-N 2.82Å
386	P	89.3	Confident	75.8	Confident	39 Å²	39	54.8 Å²	54.8	25%	0.253	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-16.9	-179.6	28.5	-29.4	0	0	0	111.4	R237 R239 L388 A389	R237-P386 PolarHBondContact NE-O 3.43Å; R237-P386 PolarHBondContact NH2-O 3.09Å; R239-P386 HydrophobicContact CG-CB 3.97Å; R239-P386 VanDerWaalsContact CG-CD 3.48Å; R239-P386 HydrophobicContact CG-CG 3.83Å; P386-L388 PolarHBondContact O-N 3.5Å; P386-A389 PolarHBondContact O-N 3.21Å
387	K	91.6	Very high	78.6	Confident	158 Å²	158	52 Å²	52	69%	0.687	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-10.2	171.3	-59.4	179	-179.7	178.5	0	113.3	R237 D385	R237-K387 VanDerWaalsContact NH2-CA 3.3Å; R237-K387 PolarHBondContact NH2-O 3.01Å; D385-K387 PolarHBondContact O-N 3.01Å; D385-K387 WeakPolarHBondContact OD1-CB 3.38Å; D385-K387 WeakPolarHBondContact OD1-CG 3.34Å; D385-K387 PolarHBondContact OD1-N 2.84Å
388	L	93.1	Very high	81.6	Confident	20 Å²	20	46.6 Å²	46.6	11%	0.105	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-18.1	172.6	-55.6	-175.4	0	0	0	113.2	K270 T271 V272 E362 D385 P386	K270-L388 HydrophobicContact CB-CD2 3.78Å; K270-L388 HydrophobicContact CD-CD2 3.69Å; K270-L388 HydrophobicContact CG-CD2 3.78Å; T271-L388 CarbonylContact C-O 3.47Å; T271-L388 WeakPolarHBondContact CA-O 3.33Å; V272-L388 HydrophobicContact CG2-CB 4.23Å; V272-L388 PolarHBondContact N-O 3.41Å; E362-L388 HydrophobicContact CB-CD1 3.92Å; E362-L388 WeakPolarHBondContact OE2-CD1 3.27Å; D385-L388 HydrophobicContact CB-CB 4.47Å; D385-L388 HydrophobicContact CB-CD1 4.06Å; D385-L388 HydrophobicContact CB-CG 3.93Å; D385-L388 PolarHBondContact O-N 2.94Å; P386-L388 PolarHBondContact O-N 3.5Å
389	A	95.4	Very high	84.3	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.008	24%	0.239	C	C	.	.			trans	-58.1	138.5	-173.8	0	0	0	0	0	114.5	R237 G360 D385 P386	R237-A389 HydrophobicContact CB-CB 3.96Å; R237-A389 HydrophobicContact CG-CB 4.46Å; R237-A389 PolarHBondContact NE-O 3.22Å; R237-A389 PolarHBondContact NH1-O 2.79Å; R237-A389 PolarHBondContact NH2-O 2.68Å; G360-A389 CarbonylContact O-C 3.58Å; G360-A389 WeakPolarHBondContact O-CA 3.37Å; D385-A389 PolarHBondContact O-N 2.82Å; P386-A389 PolarHBondContact O-N 3.21Å
390	F	97.7	Very high	87	Confident	1 Å²	1	40 Å²	40	0%	0.004	22%	0.215	C	C	.	.			trans	-77.8	148.4	166.8	177.8	-110	0	0	0	111.9	F234 V262 P264 T271 V272 L273 G360 G392 M394	F234-F390 HydrophobicContact CB-CD1 3.81Å; F234-F390 HydrophobicContact CB-CE1 4.22Å; F234-F390 HydrophobicContact CD1-CD1 4.25Å; F234-F390 AromaticContact CD2-CD1 3.58Å; F234-F390 HydrophobicContact CD2-CD1 3.58Å; F234-F390 AromaticContact CD2-CE1 3.71Å; F234-F390 HydrophobicContact CD2-CE1 3.71Å; F234-F390 HydrophobicContact CE2-CD1 4.22Å; F234-F390 HydrophobicContact CE2-CE1 4.4Å; F234-F390 AromaticContact CG-CD1 3.62Å; F234-F390 HydrophobicContact CG-CD1 3.62Å; F234-F390 HydrophobicContact CG-CE1 4.13Å; V262-F390 HydrophobicContact CB-CZ 4.49Å; P264-F390 HydrophobicContact CB-CE2 3.93Å; T271-F390 HydrophobicContact CG2-CB 4.26Å; T271-F390 HydrophobicContact CG2-CD2 4.1Å; V272-F390 WeakPolarHBondContact O-CB 3.46Å; L273-F390 HydrophobicContact CD2-CD2 3.32Å; L273-F390 HydrophobicContact CD2-CE2 3.61Å; L273-F390 HydrophobicContact CD2-CG 4.02Å; G360-F390 PolarHBondContact O-N 3.17Å; F390-G392 VanDerWaalsContact CE1-C 3.49Å; F390-M394 HydrophobicContact CD1-CE 4.37Å; F390-M394 HydrophobicContact CD1-CG 3.99Å; F390-M394 HydrophobicContact CD1-SD 3.78Å; F390-M394 HydrophobicContact CE1-CE 4.34Å; F390-M394 HydrophobicContact CE1-CG 3.33Å; F390-M394 HydrophobicContact CE1-SD 3.77Å; F390-M394 HydrophobicContact CZ-CG 3.9Å
391	A	97.8	Very high	89.5	Confident	4 Å²	4	36.4 Å²	36.4	3%	0.033	20%	0.203	C	C	.	.			trans	-138.9	129.5	166.2	0	0	0	0	0	109	F234 R237 T265	F234-A391 WeakPolarHBondContact O-CA 3.39Å; R237-A391 HydrophobicContact CG-CB 3.68Å; T265-A391 PolarHBondContact N-O 3.36Å
392	G	97.8	Very high	91.7	Very high	1 Å²	1	33 Å²	33	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.2	-155.1	-172.6	0	0	0	0	0	112.4	F234 K263 T265 F390	F234-G392 PolarHBondContact N-O 3.29Å; F234-G392 PolarHBondContact O-N 3.28Å; K263-G392 CarbonylContact O-C 3.56Å; K263-G392 VanDerWaalsContact O-CA 3.26Å; K263-G392 WeakPolarHBondContact O-CA 3.47Å; T265-G392 WeakPolarHBondContact OG1-CA 3.37Å; F390-G392 VanDerWaalsContact CE1-C 3.49Å
393	K	98.2	Very high	93.8	Very high	79 Å²	79	32.7 Å²	32.7	34%	0.343	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	147.5	180	-59.8	176.2	179.7	-174.4	0	111	L232 L233 V262 K263 W316 I443	L232-K393 CarbonylContact O-C 3.58Å; L232-K393 VanDerWaalsContact O-CA 3.25Å; L232-K393 WeakPolarHBondContact O-CA 3.45Å; L233-K393 HydrophobicContact CD1-CG 3.88Å; V262-K393 CarbonylContact C-O 3.44Å; V262-K393 WeakPolarHBondContact CA-O 3.24Å; K263-K393 HydrophobicContact CB-CB 4.38Å; K263-K393 PolarHBondContact N-O 2.63Å; K263-K393 PolarHBondContact O-N 3.09Å; W316-K393 HydrophobicContact CH2-CB 3.64Å; W316-K393 HydrophobicContact CZ2-CB 4.11Å; W316-K393 HydrophobicContact CZ3-CB 4.4Å; K393-I443 HydrophobicContact CD-CD1 3.85Å; K393-I443 HydrophobicContact CG-CD1 4.21Å
394	M	98.1	Very high	95.3	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	143.2	176.5	-38.8	-175.6	86.1	0	0	109.7	A231 L232 F234 M260 W261 V262 L273 L359 F390	A231-M394 CarbonylContact C-O 3.45Å; A231-M394 VanDerWaalsContact CA-O 3.22Å; A231-M394 WeakPolarHBondContact CA-O 3.42Å; A231-M394 WeakPolarHBondContact CB-O 3.26Å; L232-M394 PolarHBondContact N-O 3.08Å; L232-M394 PolarHBondContact O-N 2.8Å; F234-M394 HydrophobicContact CD2-CG 3.98Å; F234-M394 HydrophobicContact CD2-SD 3.99Å; F234-M394 HydrophobicContact CE2-CB 4.48Å; F234-M394 HydrophobicContact CE2-CG 3.65Å; F234-M394 HydrophobicContact CE2-SD 3.32Å; F234-M394 WeakPolarHBondContact CE2-SD 3.44Å; F234-M394 HydrophobicContact CZ-SD 3.79Å; M260-M394 HydrophobicContact SD-CE 4.04Å; W261-M394 CarbonylContact O-C 3.57Å; W261-M394 VanDerWaalsContact O-CA 3.25Å; W261-M394 WeakPolarHBondContact O-CA 3.34Å; V262-M394 HydrophobicContact CG1-CB 4.31Å; V262-M394 HydrophobicContact CG1-CE 3.43Å; V262-M394 VanDerWaalsContact CG1-CE 3.43Å; V262-M394 HydrophobicContact CG1-CG 4.19Å; L273-M394 HydrophobicContact CB-CE 3.75Å; L273-M394 HydrophobicContact CD2-CE 4.03Å; L273-M394 HydrophobicContact CG-CE 4.43Å; L359-M394 HydrophobicContact CB-SD 4.26Å; F390-M394 HydrophobicContact CD1-CE 4.37Å; F390-M394 HydrophobicContact CD1-CG 3.99Å; F390-M394 HydrophobicContact CD1-SD 3.78Å; F390-M394 HydrophobicContact CE1-CE 4.34Å; F390-M394 HydrophobicContact CE1-CG 3.33Å; F390-M394 HydrophobicContact CE1-SD 3.77Å; F390-M394 HydrophobicContact CZ-CG 3.9Å
395	T	97.8	Very high	96.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	166.9	173	-170.5	0	0	0	0	110.9	P225 C228 M230 W261 W316 V397 W429	P225-T395 HydrophobicContact CG-CG2 3.8Å; C228-T395 HydrophobicContact CB-CG2 4.19Å; C228-T395 WeakPolarHBondContact CB-OG1 3.07Å; C228-T395 PolarHBondContact SG-OG1 3.19Å; C228-T395 VanDerWaalsContact SG-OG1 3.39Å; M230-T395 WeakPolarHBondContact O-CB 3.2Å; M230-T395 PolarHBondContact O-OG1 3.01Å; W261-T395 HydrophobicContact CB-CG2 3.69Å; W261-T395 WeakPolarHBondContact CB-O 3.18Å; W261-T395 HydrophobicContact CG-CG2 4.39Å; W261-T395 PolarHBondContact N-O 2.94Å; W261-T395 PolarHBondContact O-N 2.94Å; W316-T395 HydrophobicContact CH2-CG2 3.99Å; W316-T395 HydrophobicContact CZ3-CG2 4Å; T395-V397 PolarHBondContact O-N 2.87Å; T395-W429 PolarHBondContact OG1-NE1 2.91Å
396	G	96.8	Very high	96.8	Very high	7 Å²	7	35.3 Å²	35.3	7%	0.072	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	59.5	33	177.5	0	0	0	0	0	113.9	N398 C420	G396-N398 PolarHBondContact O-N 2.88Å; G396-N398 PolarHBondContact O-ND2 3.48Å; G396-N398 VanDerWaalsContact O-ND2 3.13Å; G396-C420 VanDerWaalsContact CA-SG 3.53Å
397	V	98.1	Very high	97.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	113.6	177.8	-176.5	0	0	0	0	108.9	I245 C259 M260 L359 T395 W429 M434	I245-V397 HydrophobicContact CD1-CG1 4.45Å; C259-V397 WeakPolarHBondContact O-CA 3.17Å; M260-V397 HydrophobicContact CB-CB 4.47Å; M260-V397 HydrophobicContact CB-CG2 3.93Å; M260-V397 HydrophobicContact CE-CG1 4.5Å; L359-V397 HydrophobicContact CD1-CG1 4.41Å; L359-V397 HydrophobicContact CD1-CG2 4.05Å; L359-V397 HydrophobicContact CD2-CG1 4.13Å; T395-V397 PolarHBondContact O-N 2.87Å; V397-W429 HydrophobicContact CB-CE3 3.69Å; V397-W429 HydrophobicContact CB-CZ3 3.91Å; V397-W429 HydrophobicContact CG2-CE3 3.99Å; V397-W429 HydrophobicContact CG2-CZ3 3.72Å; V397-W429 VanDerWaalsContact N-CE3 3.31Å; V397-W429 PolarHBondContact O-N 3.1Å; V397-M434 HydrophobicContact CB-CE 4.34Å
398	N	98.1	Very high	97.4	Very high	3 Å²	3	37 Å²	37	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	150.4	179	-70.7	-79.1	0	0	0	111.1	V258 C259 G396 W400 Y422 G424 V427 A428 W429	V258-N398 CarbonylContact C-O 3.53Å; V258-N398 WeakPolarHBondContact CA-O 3.37Å; C259-N398 PolarHBondContact N-O 3.2Å; C259-N398 PolarHBondContact O-N 3.26Å; G396-N398 PolarHBondContact O-N 2.88Å; G396-N398 PolarHBondContact O-ND2 3.48Å; G396-N398 VanDerWaalsContact O-ND2 3.13Å; N398-W400 HydrophobicContact CB-CE3 4.22Å; N398-W400 HydrophobicContact CB-CH2 3.2Å; N398-W400 HydrophobicContact CB-CZ2 3.94Å; N398-W400 HydrophobicContact CB-CZ3 3.36Å; N398-Y422 PolarHBondContact OD1-O 2.7Å; N398-G424 PolarHBondContact OD1-N 3.03Å; N398-V427 CarbonylContact C-O 3.46Å; N398-V427 WeakPolarHBondContact CA-O 3.21Å; N398-V427 PolarHBondContact OD1-O 3.36Å; N398-A428 WeakPolarHBondContact OD1-CA 3.24Å; N398-W429 PolarHBondContact OD1-N 3.23Å
399	M	98.3	Very high	97.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	134.8	174.6	-172.7	178	177.9	0	0	110.4	L251 L253 F256 T257 F274 I285 G424 S425 V426 V427	L251-M399 HydrophobicContact CD2-CE 4.35Å; L251-M399 HydrophobicContact CD2-SD 4.39Å; L253-M399 HydrophobicContact CD1-CE 3.69Å; F256-M399 HydrophobicContact CB-CE 3.74Å; F256-M399 HydrophobicContact CD1-CE 4.49Å; F256-M399 HydrophobicContact CD2-CE 3.82Å; F256-M399 HydrophobicContact CG-CE 3.78Å; T257-M399 CarbonylContact O-C 3.52Å; T257-M399 VanDerWaalsContact O-CA 3.23Å; T257-M399 WeakPolarHBondContact O-CA 3.34Å; F274-M399 HydrophobicContact CZ-SD 3.97Å; I285-M399 HydrophobicContact CD1-CE 4.29Å; M399-G424 CarbonylContact O-C 3.51Å; M399-G424 VanDerWaalsContact O-CA 3.25Å; M399-G424 WeakPolarHBondContact O-CA 3.19Å; M399-S425 PolarHBondContact O-N 3.2Å; M399-V426 HydrophobicContact CB-CB 4.21Å; M399-V426 HydrophobicContact CG-CB 4.12Å; M399-V426 HydrophobicContact CG-CG1 4.35Å; M399-V426 WeakPolarHBondContact O-CB 3.15Å; M399-V426 PolarHBondContact O-N 3.06Å; M399-V426 HydrophobicContact SD-CB 4.46Å; M399-V426 HydrophobicContact SD-CG1 4.04Å; M399-V427 HydrophobicContact CB-CB 3.74Å; M399-V427 HydrophobicContact CB-CG2 3.86Å; M399-V427 PolarHBondContact N-O 2.93Å; M399-V427 PolarHBondContact O-N 3.34Å
400	W	98.2	Very high	97.7	Very high	28 Å²	28	38.4 Å²	38.4	11%	0.106	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	151.1	175.6	-63.8	-102.5	0	0	0	110	F256 T257 C259 N398 T402 L404 L412 R423 G424 S425	F256-W400 CarbonylContact C-O 3.51Å; F256-W400 WeakPolarHBondContact CA-O 3.36Å; F256-W400 WeakPolarHBondContact CB-O 3.5Å; T257-W400 PolarHBondContact N-O 3.24Å; T257-W400 PolarHBondContact O-N 2.86Å; C259-W400 HydrophobicContact CB-CZ3 4.02Å; N398-W400 HydrophobicContact CB-CE3 4.22Å; N398-W400 HydrophobicContact CB-CH2 3.2Å; N398-W400 HydrophobicContact CB-CZ2 3.94Å; N398-W400 HydrophobicContact CB-CZ3 3.36Å; W400-T402 PolarHBondContact O-N 3.13Å; W400-L404 HydrophobicContact CB-CD2 4.4Å; W400-L404 HydrophobicContact CD2-CD1 3.78Å; W400-L404 HydrophobicContact CD2-CD2 4.21Å; W400-L404 HydrophobicContact CD2-CG 4.26Å; W400-L404 HydrophobicContact CE3-CD1 3.72Å; W400-L404 HydrophobicContact CE3-CG 4.43Å; W400-L404 HydrophobicContact CG-CD1 4.39Å; W400-L404 HydrophobicContact CG-CD2 3.98Å; W400-L404 HydrophobicContact CG-CG 4.38Å; W400-L404 HydrophobicContact CH2-CD1 4.16Å; W400-L404 HydrophobicContact CZ2-CD1 4.22Å; W400-L404 HydrophobicContact CZ3-CD1 3.91Å; W400-L412 HydrophobicContact CH2-CD1 3.5Å; W400-L412 VanDerWaalsContact CH2-CD1 3.5Å; W400-L412 HydrophobicContact CH2-CD2 4.08Å; W400-L412 HydrophobicContact CH2-CG 4.46Å; W400-L412 HydrophobicContact CZ2-CD1 4.14Å; W400-L412 HydrophobicContact CZ2-CD2 4.4Å; W400-L412 HydrophobicContact CZ3-CD1 4.05Å; W400-R423 PolarHBondContact NE1-O 3.26Å; W400-G424 VanDerWaalsContact CE2-CA 3.48Å; W400-S425 WeakPolarHBondContact CA-OG 3.16Å
401	D	97.1	Very high	97.6	Very high	79 Å²	79	42.4 Å²	42.4	42%	0.422	22%	0.222	S	C	.	.	S	Bend	trans	-79.4	7.8	172.4	60.3	-17.9	0	0	0	113.6	L253 A255 S425 V426	L253-D401 HydrophobicContact CD2-CB 3.58Å; A255-D401 CarbonylContact O-C 3.48Å; A255-D401 VanDerWaalsContact O-C 3.27Å; D401-S425 VanDerWaalsContact CG-OG 3.32Å; D401-S425 PolarHBondContact N-OG 3.21Å; D401-S425 VanDerWaalsContact N-OG 3.1Å; D401-S425 PolarHBondContact OD1-OG 2.68Å; D401-V426 HydrophobicContact CB-CG2 3.88Å
402	T	97.4	Very high	97.5	Very high	70 Å²	70	42.6 Å²	42.6	43%	0.429	22%	0.223	S	C	.	.	S	Bend	trans	-132.5	162.7	-179.4	58.7	0	0	0	0	111.6	F256 T257 W400	F256-T402 CarbonylContact C-O 3.41Å; F256-T402 VanDerWaalsContact C-O 3.24Å; T257-T402 WeakPolarHBondContact CB-O 3.38Å; T257-T402 PolarHBondContact N-O 3.33Å; T257-T402 VanDerWaalsContact N-O 3.09Å; T257-T402 PolarHBondContact OG1-O 3.47Å; W400-T402 PolarHBondContact O-N 3.13Å
403	V	98.4	Very high	97.4	Very high	73 Å²	73	43.1 Å²	43.1	44%	0.442	23%	0.227	S	C	.	.			trans	-82.1	114.3	169.4	177.4	0	0	0	0	108.5	A255 T257 A322 W323	A255-V403 HydrophobicContact CB-CG2 4.29Å; T257-V403 WeakPolarHBondContact OG1-CA 3.26Å; A322-V403 HydrophobicContact CB-CG1 4.18Å; W323-V403 WeakPolarHBondContact O-CG2 3.11Å
404	L	98.5	Very high	97.2	Very high	13 Å²	13	41.2 Å²	41.2	7%	0.068	23%	0.226	C	C	.	.			trans	-70.5	151.6	177.4	-63.6	-175.9	0	0	0	111.8	T257 W400 E408 I409 L412	T257-L404 HydrophobicContact CG2-CB 4.21Å; T257-L404 HydrophobicContact CG2-CD1 3.9Å; T257-L404 HydrophobicContact CG2-CG 3.94Å; T257-L404 PolarHBondContact OG1-N 2.96Å; W400-L404 HydrophobicContact CB-CD2 4.4Å; W400-L404 HydrophobicContact CD2-CD1 3.78Å; W400-L404 HydrophobicContact CD2-CD2 4.21Å; W400-L404 HydrophobicContact CD2-CG 4.26Å; W400-L404 HydrophobicContact CE3-CD1 3.72Å; W400-L404 HydrophobicContact CE3-CG 4.43Å; W400-L404 HydrophobicContact CG-CD1 4.39Å; W400-L404 HydrophobicContact CG-CD2 3.98Å; W400-L404 HydrophobicContact CG-CG 4.38Å; W400-L404 HydrophobicContact CH2-CD1 4.16Å; W400-L404 HydrophobicContact CZ2-CD1 4.22Å; W400-L404 HydrophobicContact CZ3-CD1 3.91Å; L404-E408 HydrophobicContact CB-CB 4.22Å; L404-I409 HydrophobicContact CB-CD1 4.19Å; L404-I409 HydrophobicContact CB-CG1 3.85Å; L404-I409 HydrophobicContact CD1-CG1 4.39Å; L404-L412 HydrophobicContact CD1-CD1 3.81Å
405	S	98.1	Very high	96.5	Very high	52 Å²	52	47.3 Å²	47.3	36%	0.364	26%	0.255	S	S	.	.			trans	-72.9	161.1	172.5	69.2	0	0	0	0	112.4	Q407 E408 I409	S405-Q407 PolarHBondContact O-N 2.81Å; S405-E408 VanDerWaalsContact CB-OE2 3.27Å; S405-E408 WeakPolarHBondContact CB-OE2 3.19Å; S405-E408 PolarHBondContact N-OE2 3.17Å; S405-E408 PolarHBondContact O-N 2.93Å; S405-E408 WeakPolarHBondContact OG-CG 3.03Å; S405-E408 PolarHBondContact OG-N 3.14Å; S405-E408 PolarHBondContact OG-OE2 3.02Å; S405-I409 WeakPolarHBondContact O-CG1 3.5Å; S405-I409 PolarHBondContact O-N 2.73Å
406	E	97.7	Very high	95.8	Very high	113 Å²	113	57.1 Å²	57.1	53%	0.528	29%	0.292	S	S	.	.	H	α-helix	trans	-57.2	-36.2	174.5	176.7	159.6	-171.7	0	0	112.7	W333 S410	W333-E406 HydrophobicContact CH2-CB 3.73Å; W333-E406 HydrophobicContact CH2-CG 4Å; W333-E406 HydrophobicContact CZ3-CB 3.98Å; W333-E406 HydrophobicContact CZ3-CG 3.77Å; E406-S410 VanDerWaalsContact O-CB 3.24Å; E406-S410 WeakPolarHBondContact O-CB 3.38Å; E406-S410 PolarHBondContact O-N 3.33Å; E406-S410 PolarHBondContact O-OG 3.26Å
407	Q	96.4	Very high	95.1	Very high	147 Å²	147	57.8 Å²	57.8	69%	0.687	30%	0.299	S	S	*	.	H	α-helix	trans	-67.9	-45.1	179.3	-67.5	-179.6	-4.2	0	0	111.2	S405 S410 Q411	S405-Q407 PolarHBondContact O-N 2.81Å; Q407-S410 PolarHBondContact O-N 3Å; Q407-Q411 VanDerWaalsContact O-CG 3.32Å; Q407-Q411 WeakPolarHBondContact O-CG 3.29Å; Q407-Q411 PolarHBondContact O-N 2.65Å
408	E	97.4	Very high	94.6	Very high	87 Å²	87	63.6 Å²	63.6	41%	0.407	33%	0.326	S	S	.	.	H	α-helix	trans	-62.2	-47.3	176.4	-70.8	163.4	127.1	0	0	111	L404 S405 S410 Q411 L412	L404-E408 HydrophobicContact CB-CB 4.22Å; S405-E408 VanDerWaalsContact CB-OE2 3.27Å; S405-E408 WeakPolarHBondContact CB-OE2 3.19Å; S405-E408 PolarHBondContact N-OE2 3.17Å; S405-E408 PolarHBondContact O-N 2.93Å; S405-E408 WeakPolarHBondContact OG-CG 3.03Å; S405-E408 PolarHBondContact OG-N 3.14Å; S405-E408 PolarHBondContact OG-OE2 3.02Å; E408-S410 VanDerWaalsContact C-N 3.3Å; E408-S410 PolarHBondContact O-N 3.01Å; E408-Q411 PolarHBondContact O-N 3.4Å; E408-L412 WeakPolarHBondContact O-CG 3.09Å; E408-L412 PolarHBondContact O-N 3.26Å; E408-L412 VanDerWaalsContact O-N 3.08Å
409	I	98.1	Very high	94	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-62.6	-38	178	-66.7	173.4	0	0	0	111.5	C320 W333 L404 S405 L412 A413	C320-I409 HydrophobicContact CB-CG2 4.44Å; W333-I409 HydrophobicContact CB-CG2 4.01Å; W333-I409 HydrophobicContact CD2-CD1 3.77Å; W333-I409 HydrophobicContact CD2-CG2 4.02Å; W333-I409 HydrophobicContact CE3-CB 4.46Å; W333-I409 HydrophobicContact CE3-CD1 4.31Å; W333-I409 HydrophobicContact CE3-CG2 3.91Å; W333-I409 HydrophobicContact CG-CD1 4.01Å; W333-I409 HydrophobicContact CG-CG2 4.08Å; W333-I409 HydrophobicContact CZ2-CD1 4.05Å; L404-I409 HydrophobicContact CB-CD1 4.19Å; L404-I409 HydrophobicContact CB-CG1 3.85Å; L404-I409 HydrophobicContact CD1-CG1 4.39Å; S405-I409 WeakPolarHBondContact O-CG1 3.5Å; S405-I409 PolarHBondContact O-N 2.73Å; I409-L412 PolarHBondContact O-N 2.98Å; I409-A413 WeakPolarHBondContact O-CB 3.21Å; I409-A413 PolarHBondContact O-N 3.08Å; I409-A413 VanDerWaalsContact O-N 3.08Å
410	S	96.1	Very high	93.5	Very high	50 Å²	50	64.5 Å²	64.5	35%	0.35	33%	0.333	S	S	.	.	H	α-helix	trans	-65.5	-37.7	176.3	-65.7	0	0	0	0	112.5	G336 E406 Q407 E408 A413 A414	G336-S410 PolarHBondContact O-OG 3.22Å; E406-S410 VanDerWaalsContact O-CB 3.24Å; E406-S410 WeakPolarHBondContact O-CB 3.38Å; E406-S410 PolarHBondContact O-N 3.33Å; E406-S410 PolarHBondContact O-OG 3.26Å; Q407-S410 PolarHBondContact O-N 3Å; E408-S410 VanDerWaalsContact C-N 3.3Å; E408-S410 PolarHBondContact O-N 3.01Å; S410-A413 PolarHBondContact O-N 3.26Å; S410-A414 PolarHBondContact O-N 2.81Å
411	Q	94.8	Very high	93.1	Very high	84 Å²	84	69.2 Å²	69.2	39%	0.393	36%	0.356	S	S	.	.	H	α-helix	trans	-65.9	-42.8	175.9	-71.9	170.6	22.8	0	0	111.5	Q407 E408 A413 A414 Y422	Q407-Q411 VanDerWaalsContact O-CG 3.32Å; Q407-Q411 WeakPolarHBondContact O-CG 3.29Å; Q407-Q411 PolarHBondContact O-N 2.65Å; E408-Q411 PolarHBondContact O-N 3.4Å; Q411-A413 PolarHBondContact O-N 2.63Å; Q411-A414 PolarHBondContact O-N 3.08Å; Q411-Y422 PolarHBondContact OE1-OH 2.81Å
412	L	96.1	Very high	92.8	Very high	9 Å²	9	70.5 Å²	70.5	5%	0.047	36%	0.356	C	S	.	.	H	α-helix	trans	-61	-33.6	174.5	-65.3	172.2	0	0	0	112.5	C259 W261 W400 L404 E408 I409 G419 Y422	C259-L412 HydrophobicContact CB-CD1 4.24Å; W261-L412 PolarHBondContact NE1-O 3.49Å; W400-L412 HydrophobicContact CH2-CD1 3.5Å; W400-L412 VanDerWaalsContact CH2-CD1 3.5Å; W400-L412 HydrophobicContact CH2-CD2 4.08Å; W400-L412 HydrophobicContact CH2-CG 4.46Å; W400-L412 HydrophobicContact CZ2-CD1 4.14Å; W400-L412 HydrophobicContact CZ2-CD2 4.4Å; W400-L412 HydrophobicContact CZ3-CD1 4.05Å; L404-L412 HydrophobicContact CD1-CD1 3.81Å; E408-L412 WeakPolarHBondContact O-CG 3.09Å; E408-L412 PolarHBondContact O-N 3.26Å; E408-L412 VanDerWaalsContact O-N 3.08Å; I409-L412 PolarHBondContact O-N 2.98Å; L412-G419 WeakPolarHBondContact CD2-O 3.11Å; L412-Y422 HydrophobicContact CD2-CD2 4.37Å; L412-Y422 HydrophobicContact CD2-CG 4.16Å
413	A	96.4	Very high	92.7	Very high	11 Å²	11	75 Å²	75	9%	0.091	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-6.4	-178.3	0	0	0	0	0	115.1	W261 H318 G335 I409 S410 Q411 Q415	W261-A413 VanDerWaalsContact CH2-O 3.24Å; W261-A413 WeakPolarHBondContact CH2-O 2.95Å; W261-A413 VanDerWaalsContact CZ2-C 3.47Å; W261-A413 WeakPolarHBondContact CZ2-O 3.22Å; H318-A413 HydrophobicContact CB-CB 4.21Å; H318-A413 VanDerWaalsContact ND1-CB 3.28Å; H318-A413 WeakPolarHBondContact ND1-CB 3.29Å; G335-A413 VanDerWaalsContact C-CB 3.47Å; I409-A413 WeakPolarHBondContact O-CB 3.21Å; I409-A413 PolarHBondContact O-N 3.08Å; I409-A413 VanDerWaalsContact O-N 3.08Å; S410-A413 PolarHBondContact O-N 3.26Å; Q411-A413 PolarHBondContact O-N 2.63Å; A413-Q415 PolarHBondContact O-N 3.35Å; A413-Q415 VanDerWaalsContact O-N 3.15Å
414	A	93.1	Very high	92.6	Very high	40 Å²	40	71.9 Å²	71.9	33%	0.331	35%	0.348	S	S	.	.			trans	-70.8	110.8	-179.3	0	0	0	0	0	110.6	A226 S410 Q411 R416 G417	A226-A414 WeakPolarHBondContact CA-O 3.27Å; S410-A414 PolarHBondContact O-N 2.81Å; Q411-A414 PolarHBondContact O-N 3.08Å; A414-R416 VanDerWaalsContact C-N 3.28Å; A414-R416 PolarHBondContact O-N 3.34Å; A414-G417 PolarHBondContact O-N 3.21Å
415	Q	83.7	Confident	92.5	Very high	127 Å²	127	74 Å²	74	59%	0.593	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-38.8	-177.5	-76.9	-172.5	-10.3	0	0	113.6	A226 W261 A413	A226-Q415 PolarHBondContact N-O 2.83Å; W261-Q415 HydrophobicContact CH2-CB 4.37Å; W261-Q415 HydrophobicContact CH2-CG 3.42Å; W261-Q415 VanDerWaalsContact CH2-CG 3.42Å; W261-Q415 HydrophobicContact CZ2-CG 4.33Å; W261-Q415 HydrophobicContact CZ3-CG 3.92Å; A413-Q415 PolarHBondContact O-N 3.35Å; A413-Q415 VanDerWaalsContact O-N 3.15Å
416	R	82.8	Confident	92.5	Very high	207 Å²	207	71.9 Å²	71.9	78%	0.781	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	21.1	175.8	-62.2	-173.9	-177	167.8	3	112.6	A414	A414-R416 VanDerWaalsContact C-N 3.28Å; A414-R416 PolarHBondContact O-N 3.34Å
417	G	83.4	Confident	92.5	Very high	21 Å²	21	66.5 Å²	66.5	22%	0.216	32%	0.323	C	S	.	.	S	Bend	trans	-90.7	-172.6	177.1	0	0	0	0	0	112.6	A226 G227 A414	A226-G417 CarbonylContact C-O 3.59Å; A226-G417 WeakPolarHBondContact CA-O 3.1Å; G227-G417 PolarHBondContact N-O 3Å; A414-G417 PolarHBondContact O-N 3.21Å
418	Q	86.3	Confident	92.5	Very high	121 Å²	121	59.8 Å²	59.8	57%	0.565	29%	0.293	S	S	*	.			trans	-106.7	31.8	175.5	-65.6	177.3	17.2	0	0	110.9	A226 C420 Q421 Y422	A226-Q418 CarbonylContact O-C 3.55Å; Q418-C420 PolarHBondContact O-N 3.3Å; Q418-C420 VanDerWaalsContact O-N 3.11Å; Q418-Q421 HydrophobicContact CB-CB 4.48Å; Q418-Q421 HydrophobicContact CB-CG 4.03Å; Q418-Q421 VanDerWaalsContact O-CB 3.31Å; Q418-Q421 WeakPolarHBondContact O-CB 3.41Å; Q418-Q421 PolarHBondContact O-N 2.66Å; Q418-Q421 VanDerWaalsContact OE1-CD 3.28Å; Q418-Q421 VanDerWaalsContact OE1-NE2 3.07Å; Q418-Y422 WeakPolarHBondContact O-CD2 3.26Å
419	G	85.8	Confident	92.5	Very high	4 Å²	4	56.3 Å²	56.3	4%	0.041	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-54.9	-32.4	-175.6	0	0	0	0	0	113.3	A226 L412 Q421 Y422	A226-G419 PolarHBondContact O-N 3.42Å; A226-G419 VanDerWaalsContact O-N 3.16Å; L412-G419 WeakPolarHBondContact CD2-O 3.11Å; G419-Q421 PolarHBondContact O-N 2.71Å; G419-Y422 PolarHBondContact O-N 3.13Å
420	C	88.4	Confident	92.3	Very high	18 Å²	18	59 Å²	59	12%	0.122	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-70.4	-12.3	176	-107.6	0	0	0	0	114.9	A226 C228 G396 Q418 Y422 W429	A226-C420 PolarHBondContact O-N 2.02Å; C228-C420 HydrophobicContact CB-CB 3.86Å; C228-C420 WeakPolarHBondContact CB-SG 3.17Å; C228-C420 WeakPolarHBondContact SG-CB 2.76Å; C228-C420 CovalentContact SG-SG 2.02Å; C228-C420 PolarHBondContact SG-SG 2.85Å; G396-C420 VanDerWaalsContact CA-SG 3.53Å; Q418-C420 PolarHBondContact O-N 3.3Å; Q418-C420 VanDerWaalsContact O-N 3.11Å; C420-Y422 VanDerWaalsContact C-N 3.34Å; C420-W429 VanDerWaalsContact SG-CD1 3.54Å
421	Q	89.3	Confident	92.3	Very high	127 Å²	127	60.1 Å²	60.1	59%	0.593	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-79	-20.9	173	-60.8	-176.2	10.8	0	0	112.4	Q418 G419 R423	Q418-Q421 HydrophobicContact CB-CB 4.48Å; Q418-Q421 HydrophobicContact CB-CG 4.03Å; Q418-Q421 VanDerWaalsContact O-CB 3.31Å; Q418-Q421 WeakPolarHBondContact O-CB 3.41Å; Q418-Q421 PolarHBondContact O-N 2.66Å; Q418-Q421 VanDerWaalsContact OE1-CD 3.28Å; Q418-Q421 VanDerWaalsContact OE1-NE2 3.07Å; G419-Q421 PolarHBondContact O-N 2.71Å; Q421-R423 PolarHBondContact O-N 2.82Å
422	Y	91.8	Very high	92.4	Very high	107 Å²	107	56.7 Å²	56.7	42%	0.42	29%	0.293	S	S	.	.	S	Bend	trans	-78.9	121.1	176.2	-64.8	-99	0	0	0	109.3	N398 Q411 L412 Q418 G419 C420	N398-Y422 PolarHBondContact OD1-O 2.7Å; Q411-Y422 PolarHBondContact OE1-OH 2.81Å; L412-Y422 HydrophobicContact CD2-CD2 4.37Å; L412-Y422 HydrophobicContact CD2-CG 4.16Å; Q418-Y422 WeakPolarHBondContact O-CD2 3.26Å; G419-Y422 PolarHBondContact O-N 3.13Å; C420-Y422 VanDerWaalsContact C-N 3.34Å
423	R	93.9	Very high	92.4	Very high	163 Å²	163	61.7 Å²	61.7	62%	0.615	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-102.2	132.7	-174.7	-65.3	-179.8	178.9	-174.7	-1.4	110.3	W400 Q421 A428 V431	W400-R423 PolarHBondContact NE1-O 3.26Å; Q421-R423 PolarHBondContact O-N 2.82Å; R423-A428 HydrophobicContact CB-CB 3.85Å; R423-A428 HydrophobicContact CG-CB 4.26Å; R423-V431 VanDerWaalsContact CZ-CG2 3.42Å
424	G	96.9	Very high	92.4	Very high	9 Å²	9	61.9 Å²	61.9	9%	0.093	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-66.4	148.3	170	0	0	0	0	0	112.7	N398 M399 W400 V426 V427	N398-G424 PolarHBondContact OD1-N 3.03Å; M399-G424 CarbonylContact O-C 3.51Å; M399-G424 VanDerWaalsContact O-CA 3.25Å; M399-G424 WeakPolarHBondContact O-CA 3.19Å; W400-G424 VanDerWaalsContact CE2-CA 3.48Å; G424-V426 VanDerWaalsContact C-N 3.32Å; G424-V427 VanDerWaalsContact CA-O 3.24Å; G424-V427 WeakPolarHBondContact CA-O 3.47Å
425	S	96.9	Very high	92.6	Very high	58 Å²	58	62.1 Å²	62.1	41%	0.406	31%	0.313	S	S	.	.	S	Bend	trans	-74.3	-22.6	174.5	49.3	0	0	0	0	113.1	M399 W400 D401	M399-S425 PolarHBondContact O-N 3.2Å; W400-S425 WeakPolarHBondContact CA-OG 3.16Å; D401-S425 VanDerWaalsContact CG-OG 3.32Å; D401-S425 PolarHBondContact N-OG 3.21Å; D401-S425 VanDerWaalsContact N-OG 3.1Å; D401-S425 PolarHBondContact OD1-OG 2.68Å
426	V	96.8	Very high	93.2	Very high	6 Å²	6	58.1 Å²	58.1	4%	0.036	30%	0.297	C	S	.	.	S	Bend	trans	-107.8	-47.8	-179.1	-178.1	0	0	0	0	111.1	P247 V249 L251 L253 M399 D401 G424	P247-V426 HydrophobicContact CB-CG1 4.42Å; V249-V426 HydrophobicContact CG2-CB 4.22Å; V249-V426 HydrophobicContact CG2-CG1 4.04Å; V249-V426 HydrophobicContact CG2-CG2 4.25Å; L251-V426 HydrophobicContact CG-CG1 4.37Å; L253-V426 HydrophobicContact CD1-CG2 4.01Å; L253-V426 HydrophobicContact CD2-CG2 4.49Å; M399-V426 HydrophobicContact CB-CB 4.21Å; M399-V426 HydrophobicContact CG-CB 4.12Å; M399-V426 HydrophobicContact CG-CG1 4.35Å; M399-V426 WeakPolarHBondContact O-CB 3.15Å; M399-V426 PolarHBondContact O-N 3.06Å; M399-V426 HydrophobicContact SD-CB 4.46Å; M399-V426 HydrophobicContact SD-CG1 4.04Å; D401-V426 HydrophobicContact CB-CG2 3.88Å; G424-V426 VanDerWaalsContact C-N 3.32Å
427	V	97.9	Very high	93.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-129.3	122.8	174.1	179.5	0	0	0	0	108.1	I245 P247 L357 N398 M399 G424 T432 M434	I245-V427 HydrophobicContact CD1-CG1 4.48Å; I245-V427 HydrophobicContact CG2-CG1 3.98Å; I245-V427 HydrophobicContact CG2-CG2 3.9Å; P247-V427 HydrophobicContact CG-CG2 4.18Å; L357-V427 HydrophobicContact CD2-CG2 3.58Å; N398-V427 CarbonylContact C-O 3.46Å; N398-V427 WeakPolarHBondContact CA-O 3.21Å; N398-V427 PolarHBondContact OD1-O 3.36Å; M399-V427 HydrophobicContact CB-CB 3.74Å; M399-V427 HydrophobicContact CB-CG2 3.86Å; M399-V427 PolarHBondContact N-O 2.93Å; M399-V427 PolarHBondContact O-N 3.34Å; G424-V427 VanDerWaalsContact CA-O 3.24Å; G424-V427 WeakPolarHBondContact CA-O 3.47Å; V427-T432 HydrophobicContact CG1-CG2 4.35Å; V427-M434 HydrophobicContact CG1-CE 3.58Å
428	A	97.2	Very high	94	Very high	7 Å²	7	52.9 Å²	52.9	6%	0.058	29%	0.291	C	S	.	.			trans	-117.5	120.3	178.5	0	0	0	0	0	110.5	N398 R423 G430 V431 T432	N398-A428 WeakPolarHBondContact OD1-CA 3.24Å; R423-A428 HydrophobicContact CB-CB 3.85Å; R423-A428 HydrophobicContact CG-CB 4.26Å; A428-G430 PolarHBondContact O-N 2.95Å; A428-V431 HydrophobicContact CB-CB 3.89Å; A428-V431 HydrophobicContact CB-CG2 4.38Å; A428-V431 PolarHBondContact O-N 3.36Å; A428-V431 VanDerWaalsContact O-N 3.07Å; A428-T432 PolarHBondContact N-OG1 3.27Å; A428-T432 PolarHBondContact O-N 3.06Å
429	W	96.9	Very high	94.3	Very high	14 Å²	14	49.1 Å²	49.1	5%	0.053	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	130.2	178	-172.7	-105.9	0	0	0	111.2	M230 L232 T395 V397 N398 C420 V431 M434 F442	M230-W429 HydrophobicContact CE-CZ2 4.41Å; M230-W429 HydrophobicContact CG-CZ2 4.12Å; M230-W429 WeakPolarHBondContact O-CZ2 2.92Å; M230-W429 PolarHBondContact O-NE1 3.28Å; L232-W429 HydrophobicContact CB-CH2 4.44Å; L232-W429 HydrophobicContact CD1-CH2 3.92Å; L232-W429 HydrophobicContact CD1-CZ3 4Å; L232-W429 HydrophobicContact CG-CH2 3.9Å; L232-W429 HydrophobicContact CG-CZ3 4.48Å; T395-W429 PolarHBondContact OG1-NE1 2.91Å; V397-W429 HydrophobicContact CB-CE3 3.69Å; V397-W429 HydrophobicContact CB-CZ3 3.91Å; V397-W429 HydrophobicContact CG2-CE3 3.99Å; V397-W429 HydrophobicContact CG2-CZ3 3.72Å; V397-W429 VanDerWaalsContact N-CE3 3.31Å; V397-W429 PolarHBondContact O-N 3.1Å; N398-W429 PolarHBondContact OD1-N 3.23Å; C420-W429 VanDerWaalsContact SG-CD1 3.54Å; W429-V431 PolarHBondContact O-N 3.34Å; W429-M434 HydrophobicContact CE3-CE 3.84Å; W429-M434 HydrophobicContact CE3-SD 3.87Å; W429-M434 HydrophobicContact CZ3-CE 4.19Å; W429-M434 HydrophobicContact CZ3-SD 3.65Å; W429-F442 HydrophobicContact CH2-CE1 4.19Å
430	G	93.5	Very high	94.8	Very high	55 Å²	55	49.4 Å²	49.4	57%	0.567	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.2	6.2	-178	0	0	0	0	0	115.1	A428	A428-G430 PolarHBondContact O-N 2.95Å
431	V	95.6	Very high	95.3	Very high	74 Å²	74	53.4 Å²	53.4	45%	0.448	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.8	-54	178.4	-179.1	0	0	0	0	111.3	R423 A428 W429	R423-V431 VanDerWaalsContact CZ-CG2 3.42Å; A428-V431 HydrophobicContact CB-CB 3.89Å; A428-V431 HydrophobicContact CB-CG2 4.38Å; A428-V431 PolarHBondContact O-N 3.36Å; A428-V431 VanDerWaalsContact O-N 3.07Å; W429-V431 PolarHBondContact O-N 3.34Å
432	T	96.9	Very high	95.6	Very high	12 Å²	12	50.3 Å²	50.3	7%	0.074	29%	0.288	C	S	.	.	S	Bend	trans	-66.5	137.5	177.9	-59.2	0	0	0	0	110.1	I245 I246 V427 A428 M434	I245-T432 HydrophobicContact CG2-CG2 3.85Å; I246-T432 VanDerWaalsContact O-CG2 3.29Å; I246-T432 WeakPolarHBondContact O-CG2 3.24Å; V427-T432 HydrophobicContact CG1-CG2 4.35Å; A428-T432 PolarHBondContact N-OG1 3.27Å; A428-T432 PolarHBondContact O-N 3.06Å; T432-M434 PolarHBondContact O-N 3.26Å
433	E	96.8	Very high	95.8	Very high	114 Å²	114	47 Å²	47	53%	0.533	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	125.1	179.9	-176.2	177.7	-168.5	0	0	110.7	I246 V435	I246-E433 HydrophobicContact CB-CB 4.24Å; I246-E433 HydrophobicContact CD1-CG 4.22Å; I246-E433 PolarHBondContact N-O 3.31Å; E433-V435 HydrophobicContact CG-CG2 3.99Å
434	M	97.4	Very high	95.6	Very high	16 Å²	16	49.2 Å²	49.2	8%	0.079	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	115.8	177.7	-68.1	-172.4	-171.2	0	0	107.9	L232 T243 A244 I245 V397 V427 W429 T432 P436 F442	L232-M434 HydrophobicContact CD1-SD 4.4Å; T243-M434 HydrophobicContact CG2-CB 3.98Å; A244-M434 CarbonylContact O-C 3.46Å; A244-M434 WeakPolarHBondContact O-CA 3.39Å; I245-M434 HydrophobicContact CG1-CG 4.21Å; I245-M434 HydrophobicContact CG2-CG 4.45Å; V397-M434 HydrophobicContact CB-CE 4.34Å; V427-M434 HydrophobicContact CG1-CE 3.58Å; W429-M434 HydrophobicContact CE3-CE 3.84Å; W429-M434 HydrophobicContact CE3-SD 3.87Å; W429-M434 HydrophobicContact CZ3-CE 4.19Å; W429-M434 HydrophobicContact CZ3-SD 3.65Å; T432-M434 PolarHBondContact O-N 3.26Å; M434-P436 WeakPolarHBondContact O-CD 3.21Å; M434-F442 HydrophobicContact CB-CZ 3.93Å
435	V	97.1	Very high	95.5	Very high	45 Å²	45	51.2 Å²	51.2	27%	0.273	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	106.3	-173.7	-172.6	0	0	0	0	109.4	T243 A244 I246 E433 H437	T243-V435 CarbonylContact C-O 3.5Å; T243-V435 WeakPolarHBondContact CA-O 3.39Å; A244-V435 HydrophobicContact CB-CB 4.49Å; A244-V435 PolarHBondContact N-O 3.07Å; A244-V435 PolarHBondContact O-N 3.26Å; I246-V435 HydrophobicContact CD1-CG2 3.94Å; E433-V435 HydrophobicContact CG-CG2 3.99Å; V435-H437 WeakPolarHBondContact CG1-NE2 3.43Å; V435-H437 PolarHBondContact O-CD2 3.36Å; V435-H437 PolarHBondContact O-NE2 3.09Å
436	P	96.3	Very high	95.4	Very high	42 Å²	42	50.8 Å²	50.8	27%	0.273	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	140.8	177.6	-16.1	33.1	0	0	0	111.5	L232 T243 M434 A440 F442	L232-P436 HydrophobicContact CD2-CG 4.04Å; T243-P436 HydrophobicContact CG2-CG 4.47Å; M434-P436 WeakPolarHBondContact O-CD 3.21Å; P436-A440 HydrophobicContact CB-CB 3.78Å; P436-A440 WeakPolarHBondContact CB-O 3.44Å; P436-F442 HydrophobicContact CG-CD2 4.02Å; P436-F442 HydrophobicContact CG-CE2 3.74Å; P436-F442 HydrophobicContact CG-CZ 4.44Å
437	H	93.4	Very high	95.4	Very high	64 Å²	64	53.3 Å²	53.3	30%	0.296	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	152	-179.7	-66	-85	0	0	0	112.5	R240 I241 Y242 V435 G439 A440	R240-H437 CarbonylContact O-C 3.53Å; I241-H437 WeakPolarHBondContact CA-O 3.46Å; Y242-H437 HydrophobicContact CD1-CB 3.91Å; Y242-H437 AromaticContact CD2-CD2 3.98Å; Y242-H437 HydrophobicContact CE1-CB 3.6Å; Y242-H437 AromaticContact CE1-CG 3.99Å; Y242-H437 HydrophobicContact CE2-CB 4.23Å; Y242-H437 AromaticContact CE2-CD2 3.38Å; Y242-H437 WeakPolarHBondContact CE2-CD2 3.45Å; Y242-H437 AromaticContact CE2-CG 3.92Å; Y242-H437 HydrophobicContact CG-CB 4.35Å; Y242-H437 AromaticContact CZ-CD2 3.56Å; Y242-H437 AromaticContact CZ-CG 3.62Å; Y242-H437 PolarHBondContact O-N 3.12Å; V435-H437 WeakPolarHBondContact CG1-NE2 3.43Å; V435-H437 PolarHBondContact O-CD2 3.36Å; V435-H437 PolarHBondContact O-NE2 3.09Å; H437-G439 PolarHBondContact O-N 3.25Å; H437-A440 PolarHBondContact O-N 2.82Å
438	G	89.3	Confident	95.2	Very high	55 Å²	55	56.5 Å²	56.5	57%	0.567	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	17.9	167	0	0	0	0	0	117.1	R240 I241	R240-G438 VanDerWaalsContact O-CA 3.27Å; R240-G438 WeakPolarHBondContact O-CA 2.97Å; R240-G438 PolarHBondContact O-N 3.44Å; I241-G438 WeakPolarHBondContact CG1-O 3.19Å
439	G	91.6	Very high	95.1	Very high	41 Å²	41	59.6 Å²	59.6	42%	0.423	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	119.5	-4.7	-179.5	0	0	0	0	0	114.4	P235 H437	P235-G439 WeakPolarHBondContact CD-O 3.29Å; H437-G439 PolarHBondContact O-N 3.25Å
440	A	97.3	Very high	95	Very high	10 Å²	10	62.6 Å²	62.6	8%	0.083	36%	0.359	C	S	.	.			trans	-65.2	141.2	163.4	0	0	0	0	0	109.1	L233 F234 I241 Y242 P436 H437	L233-A440 WeakPolarHBondContact O-CA 3.44Å; F234-A440 HydrophobicContact CD1-CB 4.42Å; F234-A440 HydrophobicContact CE1-CB 4.29Å; I241-A440 HydrophobicContact CG2-CB 3.92Å; Y242-A440 WeakPolarHBondContact O-CB 3.14Å; P436-A440 HydrophobicContact CB-CB 3.78Å; P436-A440 WeakPolarHBondContact CB-O 3.44Å; H437-A440 PolarHBondContact O-N 2.82Å
441	Q	97.6	Very high	95.1	Very high	103 Å²	103	63.1 Å²	63.1	48%	0.481	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	155.7	179.3	65.7	-176.2	18.9	0	0	111.7	L233 I443	L233-Q441 HydrophobicContact CB-CG 4.33Å; L233-Q441 PolarHBondContact N-O 2.8Å; L233-Q441 PolarHBondContact O-N 2.95Å; Q441-I443 HydrophobicContact CG-CG2 4.27Å
442	F	97.3	Very high	95	Very high	61 Å²	61	62.3 Å²	62.3	27%	0.268	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	141	167.5	-66.8	-71.3	0	0	0	110.8	M230 A231 L232 W429 M434 P436	M230-F442 HydrophobicContact CE-CD1 3.17Å; M230-F442 HydrophobicContact CE-CD2 4.44Å; M230-F442 HydrophobicContact CE-CE1 3.19Å; M230-F442 HydrophobicContact CE-CE2 4.47Å; M230-F442 HydrophobicContact CE-CG 3.82Å; M230-F442 HydrophobicContact CE-CZ 3.88Å; A231-F442 CarbonylContact O-C 3.24Å; A231-F442 WeakPolarHBondContact O-CA 3.49Å; L232-F442 HydrophobicContact CD1-CE1 4.16Å; L232-F442 HydrophobicContact CD2-CD1 3.55Å; L232-F442 HydrophobicContact CD2-CD2 4.36Å; L232-F442 HydrophobicContact CD2-CE1 3.38Å; L232-F442 HydrophobicContact CD2-CE2 4.19Å; L232-F442 HydrophobicContact CD2-CG 4.08Å; L232-F442 HydrophobicContact CD2-CZ 3.72Å; L232-F442 HydrophobicContact CG-CD1 3.8Å; L232-F442 HydrophobicContact CG-CE1 3.5Å; L232-F442 HydrophobicContact CG-CZ 4.22Å; W429-F442 HydrophobicContact CH2-CE1 4.19Å; M434-F442 HydrophobicContact CB-CZ 3.93Å; P436-F442 HydrophobicContact CG-CD2 4.02Å; P436-F442 HydrophobicContact CG-CE2 3.74Å; P436-F442 HydrophobicContact CG-CZ 4.44Å
443	I	95.4	Very high	94.9	Very high	38 Å²	38	66.5 Å²	66.5	20%	0.195	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.5	173.3	60.2	166.6	0	0	0	108.5	M230 A231 L233 K393 Q441	M230-I443 CarbonylContact C-O 3.56Å; M230-I443 VanDerWaalsContact CA-O 3.27Å; M230-I443 WeakPolarHBondContact CA-O 3.43Å; A231-I443 HydrophobicContact CB-CD1 4.38Å; A231-I443 HydrophobicContact CB-CG1 3.98Å; A231-I443 PolarHBondContact N-O 3.12Å; A231-I443 WeakPolarHBondContact O-CG1 3.33Å; A231-I443 PolarHBondContact O-N 3.42Å; L233-I443 HydrophobicContact CB-CD1 4.11Å; L233-I443 HydrophobicContact CB-CG1 4.27Å; L233-I443 HydrophobicContact CB-CG2 3.89Å; L233-I443 HydrophobicContact CD2-CG2 4.09Å; K393-I443 HydrophobicContact CD-CD1 3.85Å; K393-I443 HydrophobicContact CG-CD1 4.21Å; Q441-I443 HydrophobicContact CG-CG2 4.27Å
444	Y	89.2	Confident	94.7	Very high	209 Å²	209	62.2 Å²	62.2	82%	0.82	34%	0.341	S	S	*	.			trans	-120.2	0	-176.7	-58.6	-90.8	0	0	0	110	E229 M230	E229-Y444 WeakPolarHBondContact O-CD1 3.47Å; M230-Y444 HydrophobicContact CB-CD1 3.76Å; M230-Y444 HydrophobicContact CB-CE1 3.65Å; M230-Y444 HydrophobicContact SD-CE1 4.48Å

Retrieved 444 of 444 residues in 285.9 ms (Link to these results)

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