A0A096MSG5_PAPAN Loading...

F-box/WD repeat-containing protein 7

AlphaFold DB , UniProt , Accession A0A096MSG5, Species PAPAN (Papio anubis, Olive baboon), Gene FBXW7, Length 706 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	39.1	Very low	31.8	Very low	245 Å²	245	144.1 Å²	144.1	100%	1.207	79%	0.794	S	S	*	*				0	138.2	0	-133.5	162.6	-176.3	0	0	107.1
2	N	29.5	Very low	31.6	Very low	136 Å²	136	151.5 Å²	151.5	73%	0.727	80%	0.801	S	S	*	*			trans	-83.7	161.9	-169.7	-72.5	29.1	0	0	0	110.7
3	Q	31.8	Very low	31.4	Very low	128 Å²	128	158.8 Å²	158.8	60%	0.598	81%	0.811	S	S	*	*			cis	-167.4	150.8	-6.6	-114.8	172	-62.5	0	0	108.8
4	E	35.8	Very low	31.7	Very low	148 Å²	148	164.6 Å²	164.6	69%	0.692	82%	0.818	S	S	*	*			trans	52.5	164.7	131.2	-65.2	173.1	-157	0	0	122.9
5	L	33.2	Very low	31.6	Very low	142 Å²	142	163.7 Å²	163.7	74%	0.743	83%	0.825	S	S	*	*			cis	-156.5	175.7	-30.3	-114.8	170.8	0	0	0	110.7
6	L	33.2	Very low	31.7	Very low	146 Å²	146	158.6 Å²	158.6	76%	0.764	83%	0.827	S	S	*	*			trans	-71.4	157.4	171.3	-60.3	151	0	0	0	113
7	S	31	Very low	31.5	Very low	108 Å²	108	154.2 Å²	154.2	76%	0.755	83%	0.828	S	S	*	*				145.7	158.5	103.3	65.2	0	0	0	0	117.3
8	V	29.3	Very low	31.8	Very low	148 Å²	148	152.2 Å²	152.2	90%	0.897	83%	0.828	S	S	*	*			trans	66.2	138.1	164.2	-160.6	0	0	0	0	117.9
9	G	27	Very low	31.8	Very low	63 Å²	63	151.8 Å²	151.8	65%	0.649	83%	0.825	S	S	*	*			cis	158.5	145.2	-13.3	0	0	0	0	0	116
10	S	29.1	Very low	31.8	Very low	115 Å²	115	155.5 Å²	155.5	80%	0.804	83%	0.826	S	S	*	*			trans	33.2	114.8	151	-62.1	0	0	0	0	122.3
11	K	30.5	Very low	32	Very low	206 Å²	206	151.7 Å²	151.7	90%	0.896	82%	0.823	S	S	*	*				-179.8	153.8	110.5	-98.6	157.7	-173.3	168.4	0	117
12	R	30.4	Very low	31.7	Very low	233 Å²	233	147.6 Å²	147.6	88%	0.879	81%	0.806	S	S	*	*			trans	-30.6	149.3	162.1	-58.2	166.3	170.9	173.2	-5.3	114.4
13	R	28.8	Very low	32.4	Very low	247 Å²	247	146.7 Å²	146.7	93%	0.932	81%	0.808	S	S	*	*				-167.7	172.1	71.5	-130.3	173.6	-175.3	166.1	-0.6	114
14	R	35.4	Very low	32.8	Very low	239 Å²	239	144.9 Å²	144.9	90%	0.902	81%	0.809	S	S	*	*			trans	-77.7	147.1	173.2	-59.6	170.9	174.7	164.3	-5.7	112.5
15	T	30.4	Very low	33.2	Very low	152 Å²	152	142.8 Å²	142.8	93%	0.933	81%	0.811	S	S	*	*				-157.6	157.7	125.2	17.3	0	0	0	0	108.6
16	G	32.3	Very low	33.9	Very low	82 Å²	82	139.6 Å²	139.6	85%	0.845	80%	0.801	S	S	*	*			trans	-116.6	161.7	179.1	0	0	0	0	0	112.3
17	G	28.7	Very low	34.4	Very low	83 Å²	83	139 Å²	139	86%	0.856	79%	0.794	S	S	*	*			trans	-155.5	129.1	172.8	0	0	0	0	0	109.8
18	S	37.1	Very low	35.2	Very low	118 Å²	118	138.5 Å²	138.5	83%	0.825	79%	0.786	S	S	*	*			trans	-91.1	147.1	173.3	173.2	0	0	0	0	109.7
19	L	31.9	Very low	36.2	Very low	146 Å²	146	136.4 Å²	136.4	76%	0.764	77%	0.77	S	S	*	*			trans	-161.9	127	149.8	-106.2	169.9	0	0	0	111.8
20	R	32	Very low	37.5	Very low	225 Å²	225	139.1 Å²	139.1	85%	0.849	77%	0.766	S	S	*	*			trans	19.2	132	151	-61.7	170	-169.1	-162.3	0	120
21	G	35	Very low	38.7	Very low	75 Å²	75	139.4 Å²	139.4	77%	0.773	75%	0.754	S	S	*	*			trans	-93.6	165.1	157.7	0	0	0	0	0	113
22	N	33.4	Very low	40	Very low	159 Å²	159	136 Å²	136	85%	0.85	74%	0.742	S	S	*	*			trans	-115.3	151.3	169.2	-78.9	-4.7	0	0	0	110
23	P	44.9	Very low	41.3	Very low	118 Å²	118	131 Å²	131	77%	0.766	73%	0.73	S	S	*	*			trans	-93.9	-162.9	171.2	40.2	-36.1	0	0	0	112.2
24	S	40.2	Very low	42.8	Very low	89 Å²	89	124.2 Å²	124.2	62%	0.622	71%	0.712	S	S	*	*			trans	63.4	91	171	65.1	0	0	0	0	117.3
25	S	44	Very low	44.5	Very low	104 Å²	104	120.1 Å²	120.1	73%	0.727	70%	0.697	S	S	*	*	S	Bend	trans	-129.8	18.7	155.3	72.3	0	0	0	0	112
26	S	46.4	Very low	46.6	Very low	75 Å²	75	116.6 Å²	116.6	52%	0.524	68%	0.675	S	S	.	*	S	Bend	trans	-123.7	-2.7	-167.4	63	0	0	0	0	114.8
27	Q	44.1	Very low	48.5	Very low	134 Å²	134	115.8 Å²	115.8	63%	0.626	65%	0.653	S	S	*	*	S	Bend	trans	-98.9	-20.2	177.9	-65.5	-174.1	-81.1	0	0	112.9	E31	Q27-E31 PolarHBondContact O-N 3.14Å
28	V	48.6	Very low	50.6	Low	97 Å²	97	117.5 Å²	117.5	59%	0.588	64%	0.639	S	S	*	*	H	α-helix	trans	-72.7	-39.8	178.3	-175.7	0	0	0	0	110.4	E31 Q32	V28-E31 PolarHBondContact O-N 3.43Å; V28-Q32 PolarHBondContact O-N 2.79Å
29	D	50.8	Low	52.5	Low	104 Å²	104	118.1 Å²	118.1	56%	0.556	63%	0.629	S	S	*	*	H	α-helix	trans	-70.1	-36.7	-179.3	-53.3	-12.8	0	0	0	111.6	Q32 M33	D29-Q32 PolarHBondContact O-N 3.32Å; D29-M33 WeakPolarHBondContact O-CB 3.34Å; D29-M33 PolarHBondContact O-N 2.96Å
30	E	52.8	Low	54.5	Low	121 Å²	121	116.9 Å²	116.9	57%	0.565	62%	0.619	S	S	*	*	H	α-helix	trans	-66.7	-41.1	173	-71.7	-175.2	142.7	0	0	112	Q32 M33 N34	E30-Q32 VanDerWaalsContact C-N 3.34Å; E30-Q32 PolarHBondContact O-N 3.32Å; E30-M33 PolarHBondContact O-N 3.01Å; E30-N34 WeakPolarHBondContact O-CB 3.5Å; E30-N34 PolarHBondContact O-N 3Å; E30-N34 VanDerWaalsContact O-N 3.09Å; E30-N34 PolarHBondContact O-ND2 2.68Å; E30-N34 VanDerWaalsContact O-ND2 3.16Å
31	E	55.2	Low	56.3	Low	120 Å²	120	111.5 Å²	111.5	56%	0.561	60%	0.604	S	S	*	*	H	α-helix	trans	-66.7	-31.3	174.3	-81	-161.2	-180	0	0	113.3	Q27 V28 R35	Q27-E31 PolarHBondContact O-N 3.14Å; V28-E31 PolarHBondContact O-N 3.43Å; E31-R35 WeakPolarHBondContact O-CG 3.15Å; E31-R35 IonicContact OE2-NH2 3.45Å; E31-R35 PolarHBondContact OE2-NH2 2.81Å
32	Q	57.4	Low	58.1	Low	134 Å²	134	113 Å²	113	63%	0.626	59%	0.59	S	S	*	*	H	α-helix	trans	-72	-45.7	173.1	-80.6	-166.9	-49.7	0	0	111.9	V28 D29 E30 N34 R35 V36	V28-Q32 PolarHBondContact O-N 2.79Å; D29-Q32 PolarHBondContact O-N 3.32Å; E30-Q32 VanDerWaalsContact C-N 3.34Å; E30-Q32 PolarHBondContact O-N 3.32Å; Q32-N34 PolarHBondContact O-N 2.84Å; Q32-R35 PolarHBondContact O-N 3.38Å; Q32-V36 PolarHBondContact O-N 3.25Å
33	M	56.9	Low	60.1	Low	130 Å²	130	111.1 Å²	111.1	64%	0.64	58%	0.577	S	S	*	*	H	α-helix	trans	-66	-37.4	-176.9	-167.9	160.4	61.5	0	0	112.4	D29 E30 R35 V36 V37	D29-M33 WeakPolarHBondContact O-CB 3.34Å; D29-M33 PolarHBondContact O-N 2.96Å; E30-M33 PolarHBondContact O-N 3.01Å; M33-R35 VanDerWaalsContact C-N 3.35Å; M33-R35 PolarHBondContact O-N 3.29Å; M33-V36 PolarHBondContact O-N 3.26Å; M33-V37 PolarHBondContact O-N 2.9Å
34	N	61	Low	61.2	Low	104 Å²	104	111.6 Å²	111.6	56%	0.556	57%	0.569	S	S	*	*	H	α-helix	trans	-64.6	-35.1	176.3	-72.8	-30.5	0	0	0	113.1	E30 Q32 V37 E38	E30-N34 WeakPolarHBondContact O-CB 3.5Å; E30-N34 PolarHBondContact O-N 3Å; E30-N34 VanDerWaalsContact O-N 3.09Å; E30-N34 PolarHBondContact O-ND2 2.68Å; E30-N34 VanDerWaalsContact O-ND2 3.16Å; Q32-N34 PolarHBondContact O-N 2.84Å; N34-V37 PolarHBondContact O-N 3.41Å; N34-E38 PolarHBondContact O-N 2.97Å
35	R	71.6	Confident	62.5	Low	152 Å²	152	112.4 Å²	112.4	57%	0.574	57%	0.565	S	S	*	*	H	α-helix	trans	-68.5	-36	178.3	-70.8	178.9	-158.1	-169.4	8	113	E31 Q32 M33 V37 E38 E39	E31-R35 WeakPolarHBondContact O-CG 3.15Å; E31-R35 IonicContact OE2-NH2 3.45Å; E31-R35 PolarHBondContact OE2-NH2 2.81Å; Q32-R35 PolarHBondContact O-N 3.38Å; M33-R35 VanDerWaalsContact C-N 3.35Å; M33-R35 PolarHBondContact O-N 3.29Å; R35-V37 VanDerWaalsContact C-N 3.32Å; R35-V37 PolarHBondContact O-N 3.15Å; R35-E38 PolarHBondContact O-N 2.94Å; R35-E39 PolarHBondContact O-N 3.5Å
36	V	74.7	Confident	63.8	Low	79 Å²	79	114.2 Å²	114.2	48%	0.479	56%	0.556	S	S	.	*	H	α-helix	trans	-62.6	-42.4	175.2	178.2	0	0	0	0	110.3	Q32 M33 E39 E40	Q32-V36 PolarHBondContact O-N 3.25Å; M33-V36 PolarHBondContact O-N 3.26Å; V36-E39 PolarHBondContact O-N 2.93Å; V36-E40 PolarHBondContact O-N 3.28Å
37	V	72.4	Confident	64.7	Low	64 Å²	64	116.7 Å²	116.7	39%	0.388	56%	0.56	S	S	.	*	H	α-helix	trans	-65.6	-38.1	176.7	177.5	0	0	0	0	112.1	M33 N34 R35 Q41	M33-V37 PolarHBondContact O-N 2.9Å; N34-V37 PolarHBondContact O-N 3.41Å; R35-V37 VanDerWaalsContact C-N 3.32Å; R35-V37 PolarHBondContact O-N 3.15Å; V37-Q41 WeakPolarHBondContact O-CG 3.33Å; V37-Q41 PolarHBondContact O-N 3.43Å; V37-Q41 VanDerWaalsContact O-N 3.1Å
38	E	72.9	Confident	65.4	Low	120 Å²	120	116.5 Å²	116.5	56%	0.561	56%	0.559	S	S	*	*	H	α-helix	trans	-67	-36.7	173.5	-73	-175.1	148.5	0	0	112.6	N34 R35 Q42	N34-E38 PolarHBondContact O-N 2.97Å; R35-E38 PolarHBondContact O-N 2.94Å; E38-Q42 WeakPolarHBondContact O-CB 3.23Å; E38-Q42 VanDerWaalsContact O-CG 3.32Å; E38-Q42 WeakPolarHBondContact O-CG 3.37Å; E38-Q42 PolarHBondContact O-N 3.42Å; E38-Q42 VanDerWaalsContact O-N 3.09Å
39	E	76.3	Confident	66	Low	131 Å²	131	118.4 Å²	118.4	61%	0.612	56%	0.561	S	S	*	*	H	α-helix	trans	-70.5	-39.7	176.2	-74.4	-173.1	154.9	0	0	112.4	R35 V36 Q42 Q43	R35-E39 PolarHBondContact O-N 3.5Å; V36-E39 PolarHBondContact O-N 2.93Å; E39-Q42 CarbonylContact O-C 3.46Å; E39-Q42 PolarHBondContact O-N 3.02Å; E39-Q43 PolarHBondContact O-N 3.01Å; E39-Q43 VanDerWaalsContact O-N 3.07Å
40	E	74.1	Confident	66.3	Low	119 Å²	119	120.5 Å²	120.5	56%	0.556	57%	0.568	S	S	*	*	H	α-helix	trans	-64.1	-44	174.4	-74.2	-174.8	153.8	0	0	112.2	V36 Q42 Q43 Q44	V36-E40 PolarHBondContact O-N 3.28Å; E40-Q42 VanDerWaalsContact C-N 3.3Å; E40-Q42 PolarHBondContact O-N 2.77Å; E40-Q43 PolarHBondContact O-N 3.21Å; E40-Q44 PolarHBondContact O-N 2.87Å
41	Q	69.6	Low	66	Low	112 Å²	112	121 Å²	121	52%	0.523	57%	0.57	S	S	.	*	H	α-helix	trans	-62.8	-36.7	175.1	-72.9	-178.5	9	0	0	112.2	V37 Q43 Q44 L45	V37-Q41 WeakPolarHBondContact O-CG 3.33Å; V37-Q41 PolarHBondContact O-N 3.43Å; V37-Q41 VanDerWaalsContact O-N 3.1Å; Q41-Q43 VanDerWaalsContact C-N 3.26Å; Q41-Q43 PolarHBondContact O-N 3.19Å; Q41-Q44 PolarHBondContact O-N 3.22Å; Q41-L45 WeakPolarHBondContact O-CG 3.27Å; Q41-L45 PolarHBondContact O-N 3.23Å
42	Q	72.6	Confident	65.6	Low	106 Å²	106	120.3 Å²	120.3	50%	0.495	57%	0.574	S	S	.	*	H	α-helix	trans	-73.5	-10.5	173.3	-73.8	-176.7	39.7	0	0	114.3	E38 E39 E40 R46	E38-Q42 WeakPolarHBondContact O-CB 3.23Å; E38-Q42 VanDerWaalsContact O-CG 3.32Å; E38-Q42 WeakPolarHBondContact O-CG 3.37Å; E38-Q42 PolarHBondContact O-N 3.42Å; E38-Q42 VanDerWaalsContact O-N 3.09Å; E39-Q42 CarbonylContact O-C 3.46Å; E39-Q42 PolarHBondContact O-N 3.02Å; E40-Q42 VanDerWaalsContact C-N 3.3Å; E40-Q42 PolarHBondContact O-N 2.77Å; Q42-R46 PolarHBondContact O-NE 3.44Å; Q42-R46 PolarHBondContact O-NH2 3.27Å; Q42-R46 VanDerWaalsContact O-NH2 3.11Å
43	Q	74.9	Confident	65.1	Low	120 Å²	120	117.9 Å²	117.9	56%	0.561	58%	0.577	S	S	*	*	H	α-helix	trans	-87.5	-42.9	167.4	-72.5	-174.4	11.1	0	0	111.3	E39 E40 Q41 L45 R46 Q47	E39-Q43 PolarHBondContact O-N 3.01Å; E39-Q43 VanDerWaalsContact O-N 3.07Å; E40-Q43 PolarHBondContact O-N 3.21Å; Q41-Q43 VanDerWaalsContact C-N 3.26Å; Q41-Q43 PolarHBondContact O-N 3.19Å; Q43-L45 PolarHBondContact O-N 2.58Å; Q43-R46 PolarHBondContact O-N 3.39Å; Q43-Q47 PolarHBondContact O-N 3.26Å
44	Q	68	Low	64.5	Low	129 Å²	129	122.1 Å²	122.1	60%	0.603	59%	0.585	S	S	*	*	H	α-helix	trans	-59.4	-47.1	175.9	-73	-176.1	-26.5	0	0	112.2	E40 Q41 R46 Q47 E48	E40-Q44 PolarHBondContact O-N 2.87Å; Q41-Q44 PolarHBondContact O-N 3.22Å; Q44-R46 VanDerWaalsContact C-N 3.26Å; Q44-R46 PolarHBondContact O-N 3.36Å; Q44-Q47 PolarHBondContact O-N 3.11Å; Q44-Q47 VanDerWaalsContact O-N 3.08Å; Q44-E48 PolarHBondContact O-N 3.16Å
45	L	68.6	Low	63.7	Low	105 Å²	105	123.6 Å²	123.6	55%	0.55	59%	0.594	S	S	.	*	H	α-helix	trans	-59	-35.5	177.1	-76	164.9	0	0	0	113.1	Q41 Q43 E48 E49	Q41-L45 WeakPolarHBondContact O-CG 3.27Å; Q41-L45 PolarHBondContact O-N 3.23Å; Q43-L45 PolarHBondContact O-N 2.58Å; L45-E48 PolarHBondContact O-N 3.41Å; L45-E49 PolarHBondContact O-N 2.87Å
46	R	71.1	Confident	62.3	Low	143 Å²	143	119.7 Å²	119.7	54%	0.54	60%	0.601	S	S	.	*	H	α-helix	trans	-72.2	-34.5	175.9	-89.6	178.8	-80.6	-160.4	-8.7	112.7	Q42 Q43 Q44 E49 E50	Q42-R46 PolarHBondContact O-NE 3.44Å; Q42-R46 PolarHBondContact O-NH2 3.27Å; Q42-R46 VanDerWaalsContact O-NH2 3.11Å; Q43-R46 PolarHBondContact O-N 3.39Å; Q44-R46 VanDerWaalsContact C-N 3.26Å; Q44-R46 PolarHBondContact O-N 3.36Å; R46-E49 PolarHBondContact O-N 3.03Å; R46-E50 PolarHBondContact O-N 2.87Å
47	Q	65.9	Low	60.5	Low	127 Å²	127	124.5 Å²	124.5	59%	0.593	62%	0.618	S	S	*	*	H	α-helix	trans	-67.3	-37	172.9	-70.6	177.6	-5.9	0	0	111.5	Q43 Q44 H51	Q43-Q47 PolarHBondContact O-N 3.26Å; Q44-Q47 PolarHBondContact O-N 3.11Å; Q44-Q47 VanDerWaalsContact O-N 3.08Å; Q47-H51 WeakPolarHBondContact O-CB 2.79Å; Q47-H51 PolarHBondContact O-N 3.23Å
48	E	58.1	Low	58.7	Low	130 Å²	130	127.8 Å²	127.8	61%	0.607	64%	0.638	S	S	*	*	H	α-helix	trans	-67.9	-37.6	174	-68.2	-172.3	142.2	0	0	113	Q44 L45 H51 T52	Q44-E48 PolarHBondContact O-N 3.16Å; L45-E48 PolarHBondContact O-N 3.41Å; E48-H51 PolarHBondContact O-N 3.02Å; E48-T52 PolarHBondContact O-N 3.37Å; E48-T52 PolarHBondContact O-OG1 3.21Å
49	E	61.4	Low	56.9	Low	137 Å²	137	128.4 Å²	128.4	64%	0.64	65%	0.649	S	S	*	*	H	α-helix	trans	-65.2	-43.4	173	-74.8	-173.8	151.3	0	0	112.2	L45 R46 H51 T52 A53	L45-E49 PolarHBondContact O-N 2.87Å; R46-E49 PolarHBondContact O-N 3.03Å; E49-H51 VanDerWaalsContact C-N 3.33Å; E49-H51 PolarHBondContact O-N 3.02Å; E49-T52 WeakPolarHBondContact CA-OG1 3.04Å; E49-T52 PolarHBondContact O-N 3.28Å; E49-T52 PolarHBondContact O-OG1 2.84Å; E49-A53 WeakPolarHBondContact O-CB 3.35Å; E49-A53 PolarHBondContact O-N 3.06Å
50	E	55.9	Low	54.9	Low	148 Å²	148	125.6 Å²	125.6	69%	0.692	66%	0.655	S	S	*	*	H	α-helix	trans	-65.1	-35.9	174.2	-73.4	-171.2	153.1	0	0	112.3	R46 R54	R46-E50 PolarHBondContact O-N 2.87Å; E50-R54 PolarHBondContact O-N 3.49Å
51	H	46.8	Very low	52.9	Low	131 Å²	131	126.6 Å²	126.6	61%	0.606	67%	0.669	S	S	*	*	H	α-helix	trans	-75.4	-28.9	-179.6	-141.6	-45.3	0	0	0	113.4	Q47 E48 E49	Q47-H51 WeakPolarHBondContact O-CB 2.79Å; Q47-H51 PolarHBondContact O-N 3.23Å; E48-H51 PolarHBondContact O-N 3.02Å; E49-H51 VanDerWaalsContact C-N 3.33Å; E49-H51 PolarHBondContact O-N 3.02Å
52	T	48	Very low	51.1	Low	105 Å²	105	130.3 Å²	130.3	64%	0.644	69%	0.687	S	S	*	*	H	α-helix	trans	-80	-33.7	174	45.6	0	0	0	0	112.5	E48 E49 R54	E48-T52 PolarHBondContact O-N 3.37Å; E48-T52 PolarHBondContact O-OG1 3.21Å; E49-T52 WeakPolarHBondContact CA-OG1 3.04Å; E49-T52 PolarHBondContact O-N 3.28Å; E49-T52 PolarHBondContact O-OG1 2.84Å; T52-R54 PolarHBondContact O-N 3.32Å
53	A	45.9	Very low	49.9	Very low	83 Å²	83	130 Å²	130	69%	0.686	69%	0.694	S	S	*	*	H	α-helix	trans	-61.3	-24	172.2	0	0	0	0	0	113.5	E49	E49-A53 WeakPolarHBondContact O-CB 3.35Å; E49-A53 PolarHBondContact O-N 3.06Å
54	R	45.4	Very low	47.7	Very low	219 Å²	219	135.5 Å²	135.5	83%	0.826	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-13.2	-174.3	-131.9	174.3	-175	178.5	0.7	115.7	E50 T52	E50-R54 PolarHBondContact O-N 3.49Å; T52-R54 PolarHBondContact O-N 3.32Å
55	N	43.9	Very low	46.7	Very low	136 Å²	136	135.6 Å²	135.6	73%	0.727	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.8	17	-174	-73.4	-9.6	0	0	0	113.6
56	G	42.3	Very low	44.7	Very low	70 Å²	70	134.6 Å²	134.6	72%	0.722	74%	0.736	S	S	*	*			trans	-107.8	55	-166.7	0	0	0	0	0	116.4
57	E	35.8	Very low	42.7	Very low	179 Å²	179	131 Å²	131	84%	0.836	74%	0.744	S	S	*	*			trans	-141.7	136.3	175	-139.5	172.7	-150.9	0	0	113.9
58	V	35.9	Very low	41	Very low	134 Å²	134	133.8 Å²	133.8	81%	0.812	76%	0.757	S	S	*	*			trans	54.4	142.1	175.8	-95.6	0	0	0	0	118.5
59	V	35.3	Very low	39.7	Very low	133 Å²	133	133.6 Å²	133.6	81%	0.806	76%	0.76	S	S	*	*			cis	-132.7	145.8	0.1	-173.6	0	0	0	0	108.7
60	G	33	Very low	38.2	Very low	71 Å²	71	133.9 Å²	133.9	73%	0.732	77%	0.766	S	S	*	*			trans	-114.7	135.8	172.5	0	0	0	0	0	114
61	V	32.9	Very low	37	Very low	141 Å²	141	130.8 Å²	130.8	86%	0.855	76%	0.761	S	S	*	*			trans	-143.1	129.6	162	-177.3	0	0	0	0	108.6
62	E	32.2	Very low	36.3	Very low	189 Å²	189	132.4 Å²	132.4	88%	0.883	77%	0.768	S	S	*	*			trans	-88.1	164.3	-179.6	-89.4	-154.4	121	0	0	114.3
63	P	47.7	Very low	35.4	Very low	100 Å²	100	136.5 Å²	136.5	65%	0.649	78%	0.78	S	S	*	*			trans	-118.5	-171.1	-165.7	38	-22.1	0	0	0	115.1
64	R	28.8	Very low	34.6	Very low	236 Å²	236	135.9 Å²	135.9	89%	0.891	78%	0.782	S	S	*	*			trans	90.7	162.5	167.2	-53.4	175.2	179.7	-162.6	1	116.5
65	P	45.1	Very low	33.8	Very low	131 Å²	131	134 Å²	134	85%	0.851	78%	0.783	S	S	*	*			cis	-114.4	177.2	-12.1	18.2	4.8	0	0	0	112.6
66	G	28.5	Very low	33.1	Very low	83 Å²	83	133.5 Å²	133.5	86%	0.856	78%	0.779	S	S	*	*			trans	-128.2	-176.5	171.3	0	0	0	0	0	112.6
67	G	28.3	Very low	32.5	Very low	69 Å²	69	138 Å²	138	71%	0.711	78%	0.781	S	S	*	*			trans	154.6	136.1	166	0	0	0	0	0	115
68	Q	30.6	Very low	32.3	Very low	184 Å²	184	136.6 Å²	136.6	86%	0.86	78%	0.775	S	S	*	*			trans	66.8	157	159	-63.5	174.8	-0.4	0	0	116.5
69	N	29.5	Very low	32	Very low	127 Å²	127	135.7 Å²	135.7	68%	0.679	77%	0.765	S	S	*	*			cis	-162.1	172.1	-29.5	-116.5	25.8	0	0	0	107.5
70	D	29.6	Very low	31.8	Very low	143 Å²	143	135.6 Å²	135.6	77%	0.765	76%	0.76	S	S	*	*			trans	65	163.1	159.3	-56.8	-29.1	0	0	0	117.7
71	S	30.8	Very low	31.8	Very low	82 Å²	82	138.1 Å²	138.1	57%	0.573	76%	0.757	S	S	*	*			cis	-164.1	171.8	-38.2	65.1	0	0	0	0	109.3
72	Q	32.1	Very low	31.6	Very low	165 Å²	165	142.8 Å²	142.8	77%	0.771	76%	0.759	S	S	*	*			trans	70.4	132	166.4	-66.8	165.3	60.8	0	0	115.3
73	Q	29.6	Very low	31.4	Very low	191 Å²	191	142 Å²	142	89%	0.893	75%	0.754	S	S	*	*			cis	94.8	137.3	46.9	-81.4	-171.6	-23.5	0	0	114
74	G	28.7	Very low	30.6	Very low	70 Å²	70	143.9 Å²	143.9	72%	0.722	76%	0.756	S	S	*	*			trans	102.3	105.5	-176.2	0	0	0	0	0	111.5
75	Q	30.3	Very low	30.6	Very low	181 Å²	181	137.1 Å²	137.1	85%	0.846	75%	0.746	S	S	*	*			cis	83	114.9	44.7	-72.3	-163.5	-34.1	0	0	116.5
76	L	28.8	Very low	29.9	Very low	125 Å²	125	136.4 Å²	136.4	65%	0.654	74%	0.738	S	S	*	*			trans	75.5	129.4	138.6	-63	171.4	0	0	0	121.5
77	E	29.4	Very low	30.1	Very low	163 Å²	163	138.7 Å²	138.7	76%	0.762	73%	0.731	S	S	*	*			trans	70.7	148.3	138.3	-66	166.6	-166.3	0	0	118.2
78	E	30.9	Very low	30.3	Very low	151 Å²	151	144.1 Å²	144.1	71%	0.706	74%	0.738	S	S	*	*			cis	-155.6	175.7	-5	-133.7	-165.3	-178.7	0	0	110.7
79	N	30.7	Very low	30.4	Very low	114 Å²	114	141.7 Å²	141.7	61%	0.61	73%	0.731	S	S	*	*			trans	26	140.6	146	-68.8	-34.5	0	0	0	120.8
80	N	31.3	Very low	30.4	Very low	131 Å²	131	140.5 Å²	140.5	70%	0.701	73%	0.732	S	S	*	*				-174.4	163.3	50.8	-138.8	-37.1	0	0	0	115.5
81	N	31.9	Very low	30.4	Very low	124 Å²	124	139.4 Å²	139.4	66%	0.663	74%	0.736	S	S	*	*			trans	-36.6	140.9	170.8	-68.5	-84.3	0	0	0	119.7
82	R	29.7	Very low	30.3	Very low	239 Å²	239	138.9 Å²	138.9	90%	0.902	74%	0.744	S	S	*	*				-176.5	151.7	93.6	-93.3	179	166.1	150.4	-3.3	111.2
83	F	27.4	Very low	30.2	Very low	174 Å²	174	138.3 Å²	138.3	76%	0.763	75%	0.746	S	S	*	*			cis	111.2	146.9	19.4	-138.2	-78.3	0	0	0	112.2
84	I	30	Very low	30.2	Very low	138 Å²	138	136.9 Å²	136.9	71%	0.708	74%	0.739	S	S	*	*			trans	79.6	105.8	-179.4	-52.2	-179.9	0	0	0	111.3
85	S	29.5	Very low	30.3	Very low	95 Å²	95	141.5 Å²	141.5	66%	0.664	74%	0.742	S	S	*	*				71	149.9	58	82.2	0	0	0	0	112.4
86	V	30.6	Very low	30.2	Very low	115 Å²	115	141.2 Å²	141.2	70%	0.697	74%	0.741	S	S	*	*			cis	-149.8	143.8	43.3	171.6	0	0	0	0	110
87	D	32.2	Very low	30.3	Very low	132 Å²	132	142.6 Å²	142.6	71%	0.706	74%	0.744	S	S	*	*				6.7	169.5	126.9	-31.5	-64.5	0	0	0	118.4
88	E	33.7	Very low	30.3	Very low	183 Å²	183	141.5 Å²	141.5	86%	0.855	74%	0.739	S	S	*	*			cis	-162.2	168.2	7.1	-130.9	168.8	-150.4	0	0	104.2
89	D	31	Very low	30.2	Very low	133 Å²	133	142.1 Å²	142.1	71%	0.711	74%	0.742	S	S	*	*			cis	-161.4	178.5	4.4	178.5	37.1	0	0	0	108.8
90	S	29.7	Very low	30.1	Very low	101 Å²	101	143.7 Å²	143.7	71%	0.706	75%	0.75	S	S	*	*			trans	102.2	151.7	135.8	-105.6	0	0	0	0	123
91	S	31	Very low	30.1	Very low	120 Å²	120	146.9 Å²	146.9	84%	0.839	76%	0.761	S	S	*	*			trans	-109.4	166.8	-165.9	56.6	0	0	0	0	113.9
92	G	28.7	Very low	30	Very low	72 Å²	72	148.7 Å²	148.7	74%	0.742	77%	0.765	S	S	*	*			trans	157.1	92.4	156.5	0	0	0	0	0	118.4
93	N	29.7	Very low	30.1	Very low	152 Å²	152	145 Å²	145	81%	0.813	76%	0.758	S	S	*	*			trans	37.5	155.5	134.7	-88.2	27.6	0	0	0	125.1
94	Q	29.7	Very low	30.1	Very low	162 Å²	162	141.6 Å²	141.6	76%	0.757	76%	0.762	S	S	*	*			trans	77.2	127	162.4	-70.2	173.4	-51.3	0	0	115.6
95	E	30	Very low	30.1	Very low	167 Å²	167	138.1 Å²	138.1	78%	0.78	76%	0.76	S	S	*	*			cis	104.7	163.1	39.7	-82	-178.8	156.9	0	0	111.2
96	E	29.4	Very low	30.1	Very low	175 Å²	175	142.4 Å²	142.4	82%	0.818	77%	0.769	S	S	*	*			trans	74.7	123.6	-162.5	-54.2	174.6	-174.8	0	0	112.1
97	Q	29.1	Very low	30.2	Very low	154 Å²	154	143.9 Å²	143.9	72%	0.72	77%	0.769	S	S	*	*			cis	69.7	137.4	47.7	-64.8	179.3	-80.3	0	0	112.1
98	E	29.5	Very low	30	Very low	140 Å²	140	143.9 Å²	143.9	65%	0.654	77%	0.769	S	S	*	*			cis	-160.8	173.8	0.5	-131.5	151.5	-161.7	0	0	110.4
99	E	29.9	Very low	30	Very low	164 Å²	164	144.2 Å²	144.2	77%	0.766	77%	0.77	S	S	*	*			trans	60.7	164.8	158.7	-68.4	171.1	-173.6	0	0	117.7
100	D	27.7	Very low	30	Very low	146 Å²	146	146.8 Å²	146.8	78%	0.781	78%	0.778	S	S	*	*			cis	-168.2	142.4	-45.4	-104.3	-3.3	0	0	0	105.6
101	E	31.2	Very low	30.1	Very low	199 Å²	199	150.3 Å²	150.3	93%	0.93	79%	0.789	S	S	*	*			trans	-165.1	156.6	145.5	-118.3	174.9	-157.7	0	0	111.2
102	E	31.3	Very low	30.1	Very low	162 Å²	162	153.8 Å²	153.8	76%	0.757	79%	0.792	S	S	*	*			trans	-111	-173.8	-152.8	-54.4	-176	121.5	0	0	115.9
103	H	30.4	Very low	30.3	Very low	162 Å²	162	159.3 Å²	159.3	75%	0.75	80%	0.798	S	S	*	*			trans	94.3	108.5	144.5	-90.2	67.4	0	0	0	119.8
104	A	28.8	Very low	30.3	Very low	102 Å²	102	161.2 Å²	161.2	84%	0.843	80%	0.802	S	S	*	*			trans	52.4	142.2	132.9	0	0	0	0	0	121
105	G	28.5	Very low	30.4	Very low	65 Å²	65	161.4 Å²	161.4	67%	0.67	80%	0.803	S	S	*	*			cis	160.3	176.4	1.3	0	0	0	0	0	110.3
106	E	30.9	Very low	30.3	Very low	184 Å²	184	162.3 Å²	162.3	86%	0.86	81%	0.808	S	S	*	*			trans	65.1	147.2	173.7	-67.2	170.2	-166	0	0	115.9
107	Q	31.1	Very low	30.4	Very low	146 Å²	146	159.6 Å²	159.6	68%	0.682	80%	0.796	S	S	*	*			cis	-163.4	162.5	-27.3	-128.9	-177.5	-58.4	0	0	109.4
108	D	29.7	Very low	30.6	Very low	133 Å²	133	160.1 Å²	160.1	71%	0.711	80%	0.804	S	S	*	*			trans	62.3	162.2	161.2	-45.3	-22.9	0	0	0	116.6
109	E	32.8	Very low	30.7	Very low	190 Å²	190	161 Å²	161	89%	0.888	81%	0.808	S	S	*	*			cis	-119.2	160.4	5.8	-65.4	174.8	142	0	0	111.8
110	E	30.8	Very low	30.7	Very low	187 Å²	187	162.5 Å²	162.5	87%	0.874	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-102.4	125.5	175.6	-62	-179.9	137.1	0	0	110.1
111	D	31.3	Very low	30.9	Very low	174 Å²	174	160.6 Å²	160.6	93%	0.93	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-87.1	116.2	171.3	-88.9	-44.4	0	0	0	110.3
112	E	31.7	Very low	30.9	Very low	193 Å²	193	158.7 Å²	158.7	90%	0.902	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-80	116.8	175	-60.9	-179.1	141.4	0	0	111
113	E	32.4	Very low	30.8	Very low	188 Å²	188	159 Å²	159	88%	0.879	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-99.5	130.6	163.5	-75.1	-162.5	160.7	0	0	110.7	E115	E113-E115 PolarHBondContact O-N 3.07Å
114	E	30.1	Very low	30.6	Very low	192 Å²	192	159.5 Å²	159.5	90%	0.897	82%	0.817	S	S	*	*			trans	-69.9	112.8	-167.3	-60.5	177.1	136.2	0	0	114.3	E116	E114-E116 PolarHBondContact O-N 2.95Å
115	E	32.3	Very low	30.6	Very low	166 Å²	166	162.3 Å²	162.3	78%	0.776	82%	0.817	S	S	*	*			trans	-82.6	86.9	166.3	-72.1	-155.6	157.6	0	0	112.2	E113 M117	E113-E115 PolarHBondContact O-N 3.07Å; E115-M117 VanDerWaalsContact C-N 3.35Å; E115-M117 PolarHBondContact O-N 3.37Å; E115-M117 WeakPolarHBondContact OE2-CE 3.38Å
116	E	27.3	Very low	30.7	Very low	187 Å²	187	166.6 Å²	166.6	87%	0.874	82%	0.82	S	S	*	*			trans	-70.8	91.4	160.7	-82.3	-160.4	147.5	0	0	110.6	E114	E114-E116 PolarHBondContact O-N 2.95Å
117	M	32.4	Very low	30.6	Very low	118 Å²	118	163.4 Å²	163.4	58%	0.581	82%	0.818	S	S	*	*			trans	-106.1	83.1	176.1	-168	-166.6	-49.3	0	0	111	E115 Q119	E115-M117 VanDerWaalsContact C-N 3.35Å; E115-M117 PolarHBondContact O-N 3.37Å; E115-M117 WeakPolarHBondContact OE2-CE 3.38Å; M117-Q119 PolarHBondContact O-N 3.32Å
118	D	31.8	Very low	30.4	Very low	165 Å²	165	164.5 Å²	164.5	88%	0.882	83%	0.829	S	S	*	*			trans	-62	106.5	178.3	-85.1	-29.8	0	0	0	112.5
119	Q	33.2	Very low	30.2	Very low	157 Å²	157	165.5 Å²	165.5	73%	0.734	83%	0.834	S	S	*	*			trans	-103.1	133.9	169.2	-61.1	176.1	8.7	0	0	110	M117	M117-Q119 PolarHBondContact O-N 3.32Å
120	E	29.8	Very low	29.9	Very low	196 Å²	196	160.7 Å²	160.7	92%	0.916	82%	0.822	S	S	*	*			trans	-109.5	88.4	158.8	-79.1	-164.5	136.1	0	0	109.7
121	S	32	Very low	29.7	Very low	107 Å²	107	156.3 Å²	156.3	75%	0.748	81%	0.812	S	S	*	*			trans	43.1	104.4	157.2	60.7	0	0	0	0	119
122	D	29.6	Very low	29.6	Very low	159 Å²	159	158.3 Å²	158.3	85%	0.85	81%	0.806	S	S	*	*			trans	-66.8	152.4	143.2	-74.9	-47.4	0	0	0	110.4
123	D	29.8	Very low	29.4	Very low	167 Å²	167	157 Å²	157	89%	0.893	80%	0.8	S	S	*	*			trans	-137.7	140.3	158.6	-152.8	-5.3	0	0	0	109
124	F	27.1	Very low	29.1	Very low	173 Å²	173	155 Å²	155	76%	0.759	80%	0.796	S	S	*	*			trans	-94.9	135.9	-159.5	-122.4	-105	0	0	0	112.4
125	D	28.2	Very low	29	Very low	161 Å²	161	152.8 Å²	152.8	86%	0.861	79%	0.785	S	S	*	*			trans	-156	158.1	141.8	-137.5	-21.9	0	0	0	113.5
126	Q	29.7	Very low	28.7	Very low	156 Å²	156	152.1 Å²	152.1	73%	0.729	78%	0.782	S	S	*	*			trans	-109.9	140.4	-172.8	-63.3	177.7	-16.8	0	0	112.6
127	S	28.9	Very low	28.7	Very low	117 Å²	117	149.3 Å²	149.3	82%	0.818	78%	0.777	S	S	*	*			trans	-169	122.5	142.4	10.6	0	0	0	0	114.7
128	D	26.8	Very low	28.5	Very low	169 Å²	169	152.3 Å²	152.3	90%	0.904	79%	0.79	S	S	*	*			trans	31.2	136.1	144.7	-59.3	-14.5	0	0	0	123.5
129	D	25.6	Very low	28.3	Very low	153 Å²	153	150.1 Å²	150.1	82%	0.818	79%	0.787	S	S	*	*			trans	-95.9	166	179.6	175	42.8	0	0	0	114
130	S	28.2	Very low	28	Very low	90 Å²	90	150.3 Å²	150.3	63%	0.629	79%	0.793	S	S	*	*			trans	84.4	123.8	154	80.6	0	0	0	0	119.7
131	S	26.5	Very low	27.9	Very low	95 Å²	95	146.8 Å²	146.8	66%	0.664	79%	0.79	S	S	*	*				179.2	148.8	106.1	41.9	0	0	0	0	113.2
132	R	27.9	Very low	27.7	Very low	215 Å²	215	147.4 Å²	147.4	81%	0.811	79%	0.789	S	S	*	*			trans	99.5	103.7	179.5	-60.5	164.4	-176.7	119	7.8	113.7
133	E	27	Very low	27.7	Very low	165 Å²	165	146.5 Å²	146.5	77%	0.771	79%	0.79	S	S	*	*				68.9	108.7	55.9	-56.6	175.6	150.3	0	0	113
134	D	26.6	Very low	27.5	Very low	148 Å²	148	146 Å²	146	79%	0.791	79%	0.787	S	S	*	*				60.9	155.5	129.1	-57.6	-29.4	0	0	0	120.7
135	E	28.1	Very low	27.6	Very low	145 Å²	145	143.7 Å²	143.7	68%	0.678	79%	0.792	S	S	*	*			cis	-155.6	153.2	8.1	-145.3	-172.3	-144.9	0	0	110.9
136	H	26.5	Very low	27.5	Very low	151 Å²	151	141.3 Å²	141.3	70%	0.699	79%	0.789	S	S	*	*			trans	58.6	168.5	149.1	-73.3	-8.1	0	0	0	120.1
137	T	27.1	Very low	27.5	Very low	128 Å²	128	139 Å²	139	79%	0.785	79%	0.79	S	S	*	*			cis	-144.4	167.9	2	-11.1	0	0	0	0	111.9
138	H	27.2	Very low	27.5	Very low	181 Å²	181	140.7 Å²	140.7	84%	0.838	79%	0.788	S	S	*	*			trans	-67	156.4	172.3	-60.7	-71.2	0	0	0	115
139	S	28.3	Very low	27.6	Very low	119 Å²	119	138.7 Å²	138.7	83%	0.832	78%	0.781	S	S	*	*				-154.6	131.6	128.7	51.3	0	0	0	0	112.8
140	N	27.7	Very low	27.5	Very low	161 Å²	161	137.5 Å²	137.5	86%	0.861	78%	0.775	S	S	*	*			trans	-89.1	147.2	168.3	-79.4	-39.3	0	0	0	109.9
141	S	27.5	Very low	27.5	Very low	122 Å²	122	140.1 Å²	140.1	85%	0.853	78%	0.781	S	S	*	*			trans	-147.2	134.2	146.6	55.7	0	0	0	0	111.2
142	V	28.2	Very low	28.1	Very low	121 Å²	121	140.9 Å²	140.9	73%	0.733	78%	0.784	S	S	*	*			trans	-115.4	131	178.8	172.9	0	0	0	0	108
143	T	28.9	Very low	28.1	Very low	139 Å²	139	135.9 Å²	135.9	85%	0.853	78%	0.777	S	S	*	*			trans	-136.7	98.8	165.3	52	0	0	0	0	110.4
144	N	26.6	Very low	28.1	Very low	156 Å²	156	137.1 Å²	137.1	83%	0.834	78%	0.782	S	S	*	*			trans	-68.6	146.1	161.2	-83	-22.9	0	0	0	110.1
145	S	28.3	Very low	28.1	Very low	125 Å²	125	138.1 Å²	138.1	87%	0.874	78%	0.782	S	S	*	*			trans	-149	141.7	150.5	59.1	0	0	0	0	109.6
146	S	26.9	Very low	28	Very low	112 Å²	112	139.4 Å²	139.4	78%	0.783	79%	0.793	S	S	*	*			trans	-147.9	137	-169.2	51.7	0	0	0	0	112.8
147	S	28.8	Very low	28	Very low	107 Å²	107	137.2 Å²	137.2	75%	0.748	79%	0.794	S	S	*	*			trans	-169	127.8	166.2	46.5	0	0	0	0	108.6
148	I	28.9	Very low	28	Very low	152 Å²	152	136.2 Å²	136.2	78%	0.779	79%	0.793	S	S	*	*				72.6	118.7	60.5	-65.9	167.1	0	0	0	109.2
149	V	28	Very low	28.4	Very low	127 Å²	127	132.4 Å²	132.4	77%	0.77	78%	0.784	S	S	*	*			cis	-150.5	166.8	12.1	-106.3	0	0	0	0	115.2
150	D	25	Very low	28.2	Very low	128 Å²	128	136.7 Å²	136.7	68%	0.684	79%	0.788	S	S	*	*			trans	-32.1	148.2	167	-62.6	-77.6	0	0	0	124.6
151	L	26.5	Very low	28.1	Very low	146 Å²	146	139.9 Å²	139.9	76%	0.764	79%	0.79	S	S	*	*				62	170.2	129.9	-65.9	172	0	0	0	121.2
152	P	39.2	Very low	28.1	Very low	110 Å²	110	140.4 Å²	140.4	71%	0.714	79%	0.788	S	S	*	*			cis	-128.8	156.9	-2.2	35.6	-17.3	0	0	0	118.2
153	V	28.6	Very low	27.9	Very low	111 Å²	111	144.2 Å²	144.2	67%	0.673	80%	0.795	S	S	*	*			trans	29.5	128.9	135	-174.9	0	0	0	0	121.3
154	H	27.8	Very low	27.7	Very low	190 Å²	190	144.4 Å²	144.4	88%	0.88	80%	0.796	S	S	*	*			trans	-152.1	132.4	130.3	-116.2	-76	0	0	0	112.7
155	Q	26.3	Very low	27.8	Very low	170 Å²	170	142.6 Å²	142.6	79%	0.794	79%	0.791	S	S	*	*			trans	-90.3	157.4	169.9	-65.8	174	-32.2	0	0	110.9
156	L	26.1	Very low	27.7	Very low	171 Å²	171	146.3 Å²	146.3	90%	0.895	79%	0.791	S	S	*	*			trans	-162.9	166	141.4	-110.4	168.3	0	0	0	112.5
157	S	26.2	Very low	27.7	Very low	105 Å²	105	149.6 Å²	149.6	73%	0.734	80%	0.796	S	S	*	*			trans	-83	161.8	-158.7	52.3	0	0	0	0	117.5
158	S	26.6	Very low	27.6	Very low	107 Å²	107	154.1 Å²	154.1	75%	0.748	80%	0.802	S	S	*	*			trans	-81.3	-166.3	165.1	63.8	0	0	0	0	111.8
159	P	35.5	Very low	27.5	Very low	101 Å²	101	159.1 Å²	159.1	66%	0.656	81%	0.811	S	S	*	*			cis	-121.2	174.8	-32.3	37	-24	0	0	0	112
160	F	25.2	Very low	27.4	Very low	210 Å²	210	161.5 Å²	161.5	92%	0.921	81%	0.811	S	S	*	*			trans	-136.2	125.2	166	-93.5	-81.3	0	0	0	114.3
161	Y	25.2	Very low	27.5	Very low	228 Å²	228	162.5 Å²	162.5	89%	0.894	82%	0.816	S	S	*	*			trans	-78.9	142.4	165	-87.9	-102.5	0	0	0	110.9
162	T	26.2	Very low	27.4	Very low	133 Å²	133	160.7 Å²	160.7	82%	0.816	81%	0.807	S	S	*	*			trans	-129.1	126.6	160.5	52.2	0	0	0	0	111
163	K	24.5	Very low	26.9	Very low	201 Å²	201	164.7 Å²	164.7	87%	0.874	82%	0.816	S	S	*	*			trans	-71.8	138.9	-175.7	-68	171.7	176.6	173.3	0	112.1
164	T	26	Very low	26.8	Very low	142 Å²	142	163 Å²	163	87%	0.871	82%	0.821	S	S	*	*			trans	-75.1	133.3	163.4	47.2	0	0	0	0	110.2
165	T	27.7	Very low	26.8	Very low	119 Å²	119	160.1 Å²	160.1	73%	0.73	82%	0.822	S	S	*	*			trans	-117.3	108.1	178.7	-53.6	0	0	0	0	109.7
166	K	26	Very low	26.8	Very low	202 Å²	202	160 Å²	160	88%	0.878	82%	0.821	S	S	*	*			trans	-75.6	133.8	174.1	-72.2	174.7	175.8	172.1	0	110
167	M	27.6	Very low	26.8	Very low	181 Å²	181	158.6 Å²	158.6	89%	0.892	82%	0.82	S	S	*	*			trans	-124.8	121.3	156.9	-70.1	-163.8	-172.2	0	0	109.7
168	K	25.8	Very low	26.8	Very low	203 Å²	203	164.2 Å²	164.2	88%	0.883	83%	0.825	S	S	*	*			trans	-85.1	139.2	166.8	-71.3	177.8	174.1	178.7	0	108.8
169	R	28.3	Very low	26.7	Very low	256 Å²	256	163.2 Å²	163.2	97%	0.966	82%	0.818	S	S	*	*			trans	-128.5	150.4	143.1	-85.3	-172.2	168.4	149.5	-1.3	109.2
170	K	25.3	Very low	26.1	Very low	177 Å²	177	167.6 Å²	167.6	77%	0.77	83%	0.827	S	S	*	*			trans	-139.2	-179.6	-176.1	-148.5	-158.8	179.1	-144.7	0	107.2
171	L	27.5	Very low	26.1	Very low	150 Å²	150	162.6 Å²	162.6	79%	0.785	82%	0.818	S	S	*	*			trans	86.7	106.9	-168.2	-53.4	164.1	0	0	0	110.7
172	D	24.2	Very low	26.3	Very low	108 Å²	108	160.4 Å²	160.4	58%	0.578	82%	0.821	S	S	*	*			cis	89.9	151.3	44.8	-66.4	-56.3	0	0	0	112.5
173	H	28.4	Very low	26.2	Very low	194 Å²	194	157.1 Å²	157.1	90%	0.898	81%	0.814	S	S	*	*			trans	75.7	136.6	-163.2	-44.8	79.5	0	0	0	113.9
174	G	25.5	Very low	26.4	Very low	76 Å²	76	157.2 Å²	157.2	78%	0.784	81%	0.814	S	S	*	*			cis	-175.4	145	-6.7	0	0	0	0	0	111.2
175	S	28.9	Very low	26.6	Very low	129 Å²	129	159.9 Å²	159.9	90%	0.902	81%	0.814	S	S	*	*			trans	-84.5	119.9	-171.9	-50.6	0	0	0	0	112.8
176	E	26.2	Very low	26.8	Very low	166 Å²	166	159.9 Å²	159.9	78%	0.776	82%	0.815	S	S	*	*			trans	-149.1	93.1	154	-135.8	-178.6	-155.3	0	0	111.8
177	V	25.8	Very low	26.7	Very low	142 Å²	142	156.7 Å²	156.7	86%	0.861	82%	0.817	S	S	*	*			trans	-99.6	117.1	169.3	175.5	0	0	0	0	108.1
178	R	26.5	Very low	26.5	Very low	223 Å²	223	157.9 Å²	157.9	84%	0.842	82%	0.817	S	S	*	*			trans	-105.6	139.1	163.6	-72.9	-169.4	-179.5	-165.3	2.7	110.2
179	S	23.9	Very low	26.5	Very low	86 Å²	86	155.1 Å²	155.1	60%	0.601	82%	0.817	S	S	*	*			trans	-108	-165.9	-170.8	54.9	0	0	0	0	111.9
180	F	23.5	Very low	26.3	Very low	194 Å²	194	147.9 Å²	147.9	85%	0.851	81%	0.806	S	S	*	*			trans	77.5	138	-179.3	-51.4	-76.8	0	0	0	115.8
181	S	25.1	Very low	26.2	Very low	104 Å²	104	147.6 Å²	147.6	73%	0.727	81%	0.807	S	S	*	*			cis	-168	142.1	-15.4	47.8	0	0	0	0	111.1
182	L	29.3	Very low	26.1	Very low	183 Å²	183	151.6 Å²	151.6	96%	0.958	81%	0.813	S	S	*	*			trans	-72.8	144.8	162.3	-93.1	85.1	0	0	0	111
183	G	24.9	Very low	26.1	Very low	64 Å²	64	152.3 Å²	152.3	66%	0.66	82%	0.822	S	S	*	*			trans	-170	87.9	177.4	0	0	0	0	0	118.2
184	K	29.2	Very low	25.9	Very low	203 Å²	203	148.2 Å²	148.2	88%	0.883	82%	0.815	S	S	*	*			trans	70.8	154.6	153.1	-52.1	163.8	-174.6	170.5	0	117
185	K	29.8	Very low	25.9	Very low	198 Å²	198	150.8 Å²	150.8	86%	0.861	82%	0.816	S	S	*	*			cis	-158.4	167.3	-30.3	-111.8	-168	178.3	-175.8	0	107.8
186	P	30.8	Very low	25.8	Very low	118 Å²	118	151.1 Å²	151.1	77%	0.766	81%	0.813	S	S	*	*			trans	-94.5	168.2	-163.3	37.4	-38.2	0	0	0	116.2
187	C	23.6	Very low	25.8	Very low	136 Å²	136	147 Å²	147	92%	0.919	81%	0.814	S	S	*	*			trans	-113.3	159.6	165.2	-73.4	0	0	0	0	111.7
188	K	25	Very low	25.9	Very low	205 Å²	205	148.4 Å²	148.4	89%	0.891	82%	0.816	S	S	*	*			trans	-112.7	-172.6	-176.1	-77.3	-172.2	170.2	-170.6	0	112
189	V	24.3	Very low	26	Very low	145 Å²	145	144.8 Å²	144.8	88%	0.879	82%	0.818	S	S	*	*			trans	95.7	133.2	166	-179.4	0	0	0	0	113.5
190	S	25	Very low	26.3	Very low	104 Å²	104	146.4 Å²	146.4	73%	0.727	83%	0.827	S	S	*	*			cis	-164.8	160.9	-21.4	-178	0	0	0	0	109.2
191	E	22.5	Very low	26.3	Very low	171 Å²	171	143.4 Å²	143.4	80%	0.799	83%	0.829	S	S	*	*			trans	-78	153.3	173.2	-58.9	170	123.8	0	0	113
192	Y	26.6	Very low	26.3	Very low	235 Å²	235	144 Å²	144	92%	0.922	83%	0.832	S	S	*	*			trans	-152.7	158.1	151.3	-94.6	-70.9	0	0	0	108.9
193	T	22.7	Very low	26.2	Very low	122 Å²	122	139.8 Å²	139.8	75%	0.748	83%	0.825	S	S	*	*			trans	-125.7	165.2	-159.4	46.3	0	0	0	0	115.3
194	S	25.9	Very low	26.4	Very low	108 Å²	108	142.9 Å²	142.9	76%	0.755	83%	0.831	S	S	*	*			trans	74.3	149.5	164.7	-62	0	0	0	0	117.6
195	T	25.3	Very low	26.3	Very low	131 Å²	131	138.7 Å²	138.7	80%	0.804	82%	0.824	S	S	*	*			cis	-146	167	4.3	-9.6	0	0	0	0	113.4
196	T	26.8	Very low	26.4	Very low	136 Å²	136	135.6 Å²	135.6	83%	0.834	82%	0.822	S	S	*	*			trans	-52.2	149.7	-178.9	46.7	0	0	0	0	119
197	G	25.1	Very low	26.5	Very low	79 Å²	79	136.1 Å²	136.1	81%	0.814	82%	0.823	S	S	*	*			trans	-163.1	126.8	156.6	0	0	0	0	0	112.3
198	L	28.5	Very low	27.1	Very low	172 Å²	172	139.6 Å²	139.6	90%	0.901	82%	0.823	S	S	*	*			trans	-111	122.8	-172.5	-79	163.1	0	0	0	113.2
199	V	27.5	Very low	27.5	Very low	146 Å²	146	132.3 Å²	132.3	89%	0.885	81%	0.806	S	S	*	*			trans	-160.2	166.6	141.1	-107.3	0	0	0	0	109.2
200	P	30	Very low	27.9	Very low	120 Å²	120	133.1 Å²	133.1	78%	0.779	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-96.3	155.6	-140.5	37.1	-38.1	0	0	0	116.1	S202	P200-S202 PolarHBondContact O-N 3.38Å
201	C	23.9	Very low	28.2	Very low	132 Å²	132	135.9 Å²	135.9	89%	0.892	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-69.5	123.7	169.2	-57.7	0	0	0	0	111.4
202	S	25.8	Very low	28.8	Very low	115 Å²	115	137.8 Å²	137.8	80%	0.804	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-78.5	142.9	163	48.5	0	0	0	0	110.5	P200	P200-S202 PolarHBondContact O-N 3.38Å
203	A	27.2	Very low	29.1	Very low	96 Å²	96	131.5 Å²	131.5	79%	0.793	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-71	138.1	-179.1	0	0	0	0	0	111.8	P205	A203-P205 WeakPolarHBondContact O-CD 3.34Å
204	T	28.5	Very low	29.4	Very low	129 Å²	129	130 Å²	130	79%	0.791	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-70.9	123.1	169.2	34.9	0	0	0	0	110.3	T206	T204-T206 PolarHBondContact O-N 2.58Å
205	P	28.2	Very low	29.6	Very low	114 Å²	114	133 Å²	133	74%	0.74	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-72.4	124.3	173.3	-3.7	18.1	0	0	0	109.7	A203 T207	A203-P205 WeakPolarHBondContact O-CD 3.34Å; P205-T207 PolarHBondContact O-N 3.01Å
206	T	32	Very low	30.1	Very low	133 Å²	133	130.7 Å²	130.7	82%	0.816	82%	0.817	S	S	*	*			trans	-78.5	96.8	172.3	37	0	0	0	0	110.1	T204 F208	T204-T206 PolarHBondContact O-N 2.58Å; T206-F208 PolarHBondContact O-N 2.95Å
207	T	32.4	Very low	30.2	Very low	130 Å²	130	133 Å²	133	80%	0.798	82%	0.819	S	S	*	*			trans	-72.4	66.7	-175	-41.4	0	0	0	0	113.5	P205	P205-T207 PolarHBondContact O-N 3.01Å
208	F	35.2	Very low	30.6	Very low	208 Å²	208	132.8 Å²	132.8	91%	0.912	82%	0.817	S	S	*	*			trans	-107.7	55.7	168.6	-104.5	-80.4	0	0	0	111.2	T206	T206-F208 PolarHBondContact O-N 2.95Å
209	G	33.7	Very low	30.9	Very low	52 Å²	52	133.4 Å²	133.4	54%	0.536	82%	0.815	S	S	.	*			trans	-123.3	154	168.8	0	0	0	0	0	111
210	D	32.8	Very low	31.5	Very low	162 Å²	162	135.3 Å²	135.3	87%	0.866	81%	0.814	S	S	*	*			trans	59.5	55.7	162.3	-56.1	-22.6	0	0	0	119.4
211	L	31.8	Very low	32.2	Very low	162 Å²	162	137.8 Å²	137.8	85%	0.848	81%	0.808	S	S	*	*			trans	-122	72.7	146.7	-77.2	-179.6	0	0	0	111.7
212	R	34.3	Very low	33.1	Very low	212 Å²	212	143.4 Å²	143.4	80%	0.8	81%	0.81	S	S	*	*			trans	-142.1	42.9	173.7	-91.1	-155.2	179.9	-161.6	2.6	115.4
213	A	34.1	Very low	34	Very low	102 Å²	102	146.9 Å²	146.9	84%	0.843	81%	0.806	S	S	*	*			trans	-160.2	78.6	162.7	0	0	0	0	0	112.1
214	A	28.6	Very low	35.1	Very low	91 Å²	91	147.9 Å²	147.9	75%	0.752	80%	0.797	S	S	*	*			trans	-152.5	62.2	175.9	0	0	0	0	0	112.5
215	N	30.6	Very low	35.9	Very low	171 Å²	171	146.6 Å²	146.6	91%	0.914	79%	0.789	S	S	*	*			trans	-70	132.5	165.5	-89	-4.1	0	0	0	109.8	Q217	N215-Q217 PolarHBondContact O-N 2.88Å
216	G	34.8	Very low	37	Very low	82 Å²	82	147.4 Å²	147.4	85%	0.845	80%	0.797	S	S	*	*	S	Bend	trans	74.1	20.6	145.8	0	0	0	0	0	119.3
217	Q	29.4	Very low	38.5	Very low	185 Å²	185	146.1 Å²	146.1	86%	0.864	79%	0.789	S	S	*	*			trans	-135.8	130.5	160.8	-90.5	178.5	13.1	0	0	111.1	N215 Q219	N215-Q217 PolarHBondContact O-N 2.88Å; Q217-Q219 PolarHBondContact O-N 3.41Å
218	G	32.7	Very low	40.1	Very low	75 Å²	75	148.3 Å²	148.3	77%	0.773	79%	0.79	S	S	*	*			trans	-68.9	125.8	179.9	0	0	0	0	0	111.1	Q220	G218-Q220 PolarHBondContact O-N 2.88Å
219	Q	35.1	Very low	41.8	Very low	184 Å²	184	141.9 Å²	141.9	86%	0.86	77%	0.769	S	S	*	*			trans	-57.6	111	173	-73.4	-176.9	-20.2	0	0	109.7	Q217 R221	Q217-Q219 PolarHBondContact O-N 3.41Å; Q219-R221 PolarHBondContact O-N 3.14Å
220	Q	39.8	Very low	44	Very low	186 Å²	186	144 Å²	144	87%	0.869	77%	0.773	S	S	*	*			trans	-61.1	124.3	167.3	-74.5	-163.8	-2.3	0	0	108.4	G218 R222	G218-Q220 PolarHBondContact O-N 2.88Å; Q220-R222 PolarHBondContact O-N 3.35Å
221	R	46.1	Very low	46.1	Very low	173 Å²	173	143.4 Å²	143.4	65%	0.653	78%	0.776	S	S	*	*			trans	-51.1	124.8	169.9	-71.7	179.5	170.9	-176.3	-5.4	108.2	Q219 R223	Q219-R221 PolarHBondContact O-N 3.14Å; R221-R223 PolarHBondContact O-N 2.94Å
222	R	42	Very low	48.4	Very low	249 Å²	249	137.5 Å²	137.5	94%	0.94	75%	0.754	S	S	*	*			trans	-60.2	100.9	167.3	-76.7	-175.1	174.5	-178.4	-1.2	107.7	Q220 I224	Q220-R222 PolarHBondContact O-N 3.35Å; R222-I224 PolarHBondContact O-N 3.05Å
223	R	44.6	Very low	50.7	Low	189 Å²	189	130.5 Å²	130.5	71%	0.713	73%	0.732	S	S	*	*			trans	-61.1	128.6	171.4	-69.5	-173.2	-178.6	-172.4	2.2	108	R221	R221-R223 PolarHBondContact O-N 2.94Å
224	I	50.5	Low	53	Low	117 Å²	117	131.6 Å²	131.6	60%	0.6	72%	0.72	S	S	*	*	S	Bend	trans	-77.8	133.7	166.5	-82	172.4	0	0	0	108	R222	R222-I224 PolarHBondContact O-N 3.05Å
225	T	44.8	Very low	55.7	Low	102 Å²	102	134 Å²	134	63%	0.626	72%	0.715	S	S	*	*	S	Bend	trans	65.5	143.7	-172.4	73.8	0	0	0	0	117.2	V227	T225-V227 PolarHBondContact O-N 3.45Å
226	S	50.9	Low	58.5	Low	131 Å²	131	130.4 Å²	130.4	92%	0.916	69%	0.689	S	S	*	*			trans	-87.8	42.8	177.8	57.5	0	0	0	0	112.2
227	V	64.6	Low	60.9	Low	105 Å²	105	129.2 Å²	129.2	64%	0.636	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-94.5	142	-176.9	-179	0	0	0	0	109.6	T225	T225-V227 PolarHBondContact O-N 3.45Å
228	Q	65.3	Low	63.6	Low	177 Å²	177	127.2 Å²	127.2	83%	0.827	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-64.8	140	173.8	-69.1	-170.6	-1.4	0	0	110
229	P	71.6	Confident	66.3	Low	72 Å²	72	127.8 Å²	127.8	47%	0.468	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-62.4	140.7	178.1	27.6	-34.1	0	0	0	110.2	T231 L233	P229-T231 PolarHBondContact O-N 3.02Å; P229-L233 HydrophobicContact CB-CD2 4.02Å
230	P	80	Confident	69	Low	96 Å²	96	120.7 Å²	120.7	62%	0.623	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-52.3	136.7	176.1	-28.9	35.4	0	0	0	112.7	G232 L233	P230-G232 PolarHBondContact O-N 3.21Å; P230-L233 VanDerWaalsContact O-CB 3.27Å; P230-L233 WeakPolarHBondContact O-CB 3.38Å; P230-L233 PolarHBondContact O-N 3.46Å
231	T	76.1	Confident	71.3	Confident	151 Å²	151	118.1 Å²	118.1	93%	0.926	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.4	124.9	171.1	45.9	0	0	0	0	109.6	P229	P229-T231 PolarHBondContact O-N 3.02Å
232	G	81	Confident	73.5	Confident	37 Å²	37	114.4 Å²	114.4	38%	0.381	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	95	-11.3	-174.5	0	0	0	0	0	115.8	P230 Q234 E235 W236	P230-G232 PolarHBondContact O-N 3.21Å; G232-Q234 VanDerWaalsContact C-N 3.25Å; G232-Q234 PolarHBondContact O-N 2.96Å; G232-Q234 VanDerWaalsContact O-N 3.14Å; G232-E235 WeakPolarHBondContact O-CB 3.38Å; G232-E235 PolarHBondContact O-N 3.26Å; G232-W236 PolarHBondContact O-N 2.84Å
233	L	81.7	Confident	76	Confident	65 Å²	65	106.4 Å²	106.4	34%	0.34	56%	0.56	S	S	.	*	H	α-helix	trans	-55.9	-36.8	-178.3	177.7	63.3	0	0	0	113.4	P229 P230 E235 L237	P229-L233 HydrophobicContact CB-CD2 4.02Å; P230-L233 VanDerWaalsContact O-CB 3.27Å; P230-L233 WeakPolarHBondContact O-CB 3.38Å; P230-L233 PolarHBondContact O-N 3.46Å; L233-E235 VanDerWaalsContact C-N 3.31Å; L233-E235 PolarHBondContact O-N 3.4Å; L233-L237 HydrophobicContact CD1-CD1 4.25Å; L233-L237 HydrophobicContact CD1-CG 4.27Å; L233-L237 HydrophobicContact CG-CD1 4.09Å; L233-L237 WeakPolarHBondContact O-CB 3.48Å; L233-L237 VanDerWaalsContact O-CG 3.23Å; L233-L237 WeakPolarHBondContact O-CG 3.44Å; L233-L237 PolarHBondContact O-N 3.07Å
234	Q	82.3	Confident	78.1	Confident	126 Å²	126	100 Å²	100	59%	0.589	54%	0.544	S	S	*	.	H	α-helix	trans	-71.9	-24.7	177.9	-67.8	-61.7	-44.7	0	0	113.3	G232 K238	G232-Q234 VanDerWaalsContact C-N 3.25Å; G232-Q234 PolarHBondContact O-N 2.96Å; G232-Q234 VanDerWaalsContact O-N 3.14Å; Q234-K238 WeakPolarHBondContact O-CG 3.34Å; Q234-K238 PolarHBondContact O-N 3.14Å
235	E	85.6	Confident	79.8	Confident	141 Å²	141	96.7 Å²	96.7	66%	0.659	54%	0.539	S	S	*	.	H	α-helix	trans	-83.8	-42.8	177.9	-64.4	170.6	155.5	0	0	109.8	G232 L233 L237 K238 M239	G232-E235 WeakPolarHBondContact O-CB 3.38Å; G232-E235 PolarHBondContact O-N 3.26Å; L233-E235 VanDerWaalsContact C-N 3.31Å; L233-E235 PolarHBondContact O-N 3.4Å; E235-L237 VanDerWaalsContact C-N 3.33Å; E235-L237 PolarHBondContact O-N 3.46Å; E235-K238 PolarHBondContact O-N 3.06Å; E235-K238 VanDerWaalsContact O-N 3.15Å; E235-M239 PolarHBondContact O-N 3.22Å
236	W	88.8	Confident	82	Confident	96 Å²	96	96 Å²	96	36%	0.364	54%	0.536	S	S	.	.	H	α-helix	trans	-57.6	-43.7	169.9	-174.7	90.2	0	0	0	112	G232 K238 M239 F240 L255	G232-W236 PolarHBondContact O-N 2.84Å; W236-K238 VanDerWaalsContact C-N 3.34Å; W236-K238 PolarHBondContact O-N 3.21Å; W236-M239 HydrophobicContact CG-CE 4.48Å; W236-M239 PolarHBondContact O-N 2.82Å; W236-F240 HydrophobicContact CE3-CB 4.49Å; W236-F240 HydrophobicContact CH2-CB 4.42Å; W236-F240 AromaticContact CH2-CD2 3.96Å; W236-F240 HydrophobicContact CH2-CD2 3.96Å; W236-F240 HydrophobicContact CH2-CG 4.23Å; W236-F240 HydrophobicContact CZ2-CD2 4.14Å; W236-F240 HydrophobicContact CZ3-CB 4.35Å; W236-F240 HydrophobicContact CZ3-CG 4.45Å; W236-F240 WeakPolarHBondContact O-CB 3.15Å; W236-F240 PolarHBondContact O-N 2.85Å; W236-L255 HydrophobicContact CH2-CD1 4.01Å; W236-L255 HydrophobicContact CZ2-CD1 3.85Å
237	L	86.6	Confident	83.8	Confident	56 Å²	56	94.5 Å²	94.5	29%	0.293	52%	0.515	S	S	.	.	H	α-helix	trans	-63.6	-35.4	175.9	-76.8	169.9	0	0	0	113	L233 E235 Q241	L233-L237 HydrophobicContact CD1-CD1 4.25Å; L233-L237 HydrophobicContact CD1-CG 4.27Å; L233-L237 HydrophobicContact CG-CD1 4.09Å; L233-L237 WeakPolarHBondContact O-CB 3.48Å; L233-L237 VanDerWaalsContact O-CG 3.23Å; L233-L237 WeakPolarHBondContact O-CG 3.44Å; L233-L237 PolarHBondContact O-N 3.07Å; E235-L237 VanDerWaalsContact C-N 3.33Å; E235-L237 PolarHBondContact O-N 3.46Å; L237-Q241 WeakPolarHBondContact O-CB 3.44Å; L237-Q241 WeakPolarHBondContact O-CG 3.42Å; L237-Q241 PolarHBondContact O-N 3.04Å
238	K	86.6	Confident	85	Confident	144 Å²	144	92.1 Å²	92.1	63%	0.626	50%	0.496	S	S	*	.	H	α-helix	trans	-68.6	-43	173.2	-76	172	179.5	179	0	111.6	Q234 E235 W236 Q241 S242	Q234-K238 WeakPolarHBondContact O-CG 3.34Å; Q234-K238 PolarHBondContact O-N 3.14Å; E235-K238 PolarHBondContact O-N 3.06Å; E235-K238 VanDerWaalsContact O-N 3.15Å; W236-K238 VanDerWaalsContact C-N 3.34Å; W236-K238 PolarHBondContact O-N 3.21Å; K238-Q241 PolarHBondContact O-N 3.1Å; K238-S242 PolarHBondContact O-N 3.4Å
239	M	89.1	Confident	85.8	Confident	86 Å²	86	88.9 Å²	88.9	42%	0.424	48%	0.484	S	S	.	.	H	α-helix	trans	-59.9	-52.1	176.1	-177.5	177.1	69	0	0	110.9	E235 W236 Q241 S242 W243	E235-M239 PolarHBondContact O-N 3.22Å; W236-M239 HydrophobicContact CG-CE 4.48Å; W236-M239 PolarHBondContact O-N 2.82Å; M239-Q241 VanDerWaalsContact C-N 3.27Å; M239-Q241 PolarHBondContact O-N 3.15Å; M239-S242 PolarHBondContact O-N 3.22Å; M239-S242 PolarHBondContact O-OG 3.15Å; M239-W243 HydrophobicContact CE-CH2 4.11Å; M239-W243 HydrophobicContact CE-CZ2 3.78Å; M239-W243 HydrophobicContact CG-CZ2 3.82Å; M239-W243 PolarHBondContact O-N 3.17Å; M239-W243 HydrophobicContact SD-CZ2 4.05Å
240	F	90.8	Very high	86.7	Confident	35 Å²	35	91 Å²	91	15%	0.154	49%	0.49	C	S	.	.	H	α-helix	trans	-58.1	-36.5	175	-174.9	-88.1	0	0	0	112.5	W236 S242 W243 K248 A251 L252	W236-F240 HydrophobicContact CE3-CB 4.49Å; W236-F240 HydrophobicContact CH2-CB 4.42Å; W236-F240 AromaticContact CH2-CD2 3.96Å; W236-F240 HydrophobicContact CH2-CD2 3.96Å; W236-F240 HydrophobicContact CH2-CG 4.23Å; W236-F240 HydrophobicContact CZ2-CD2 4.14Å; W236-F240 HydrophobicContact CZ3-CB 4.35Å; W236-F240 HydrophobicContact CZ3-CG 4.45Å; W236-F240 WeakPolarHBondContact O-CB 3.15Å; W236-F240 PolarHBondContact O-N 2.85Å; F240-S242 VanDerWaalsContact C-N 3.34Å; F240-W243 HydrophobicContact CB-CE3 4.42Å; F240-W243 HydrophobicContact CB-CZ3 4.44Å; F240-W243 AromaticContact CD2-CE3 3.75Å; F240-W243 HydrophobicContact CD2-CE3 3.75Å; F240-W243 AromaticContact CD2-CZ3 3.58Å; F240-W243 HydrophobicContact CD2-CZ3 3.58Å; F240-W243 HydrophobicContact CE2-CE3 4.34Å; F240-W243 HydrophobicContact CE2-CZ3 4.26Å; F240-W243 HydrophobicContact CG-CE3 4.34Å; F240-W243 HydrophobicContact CG-CZ3 4.41Å; F240-K248 HydrophobicContact CD1-CD 4.41Å; F240-K248 HydrophobicContact CD1-CG 4.39Å; F240-K248 HydrophobicContact CE1-CB 4.33Å; F240-K248 HydrophobicContact CE1-CD 4.01Å; F240-K248 HydrophobicContact CE1-CG 3.95Å; F240-K248 HydrophobicContact CE2-CB 4.19Å; F240-K248 HydrophobicContact CE2-CG 4.09Å; F240-K248 HydrophobicContact CZ-CB 3.78Å; F240-K248 HydrophobicContact CZ-CD 4.31Å; F240-K248 HydrophobicContact CZ-CG 3.78Å; F240-K248 WeakPolarHBondContact O-CD 3.15Å; F240-K248 WeakPolarHBondContact O-CE 3.38Å; F240-A251 HydrophobicContact CE2-CB 4.45Å; F240-L252 HydrophobicContact CE2-CD2 4.45Å; F240-L252 HydrophobicContact CE2-CG 4.14Å; F240-L252 HydrophobicContact CZ-CD1 4.03Å; F240-L252 HydrophobicContact CZ-CD2 4.17Å; F240-L252 HydrophobicContact CZ-CG 3.86Å
241	Q	89.2	Confident	87	Confident	133 Å²	133	87.7 Å²	87.7	62%	0.621	47%	0.471	S	S	*	.	H	α-helix	trans	-67.5	-32	174	-77.8	169	21.7	0	0	113	L237 K238 M239 K248	L237-Q241 WeakPolarHBondContact O-CB 3.44Å; L237-Q241 WeakPolarHBondContact O-CG 3.42Å; L237-Q241 PolarHBondContact O-N 3.04Å; K238-Q241 PolarHBondContact O-N 3.1Å; M239-Q241 VanDerWaalsContact C-N 3.27Å; M239-Q241 PolarHBondContact O-N 3.15Å; Q241-K248 PolarHBondContact O-NZ 2.93Å
242	S	91.6	Very high	87.6	Confident	94 Å²	94	83.7 Å²	83.7	66%	0.657	44%	0.443	S	S	*	.	H	α-helix	trans	-77.2	-20	-177.3	73.2	0	0	0	0	115.4	K238 M239 F240	K238-S242 PolarHBondContact O-N 3.4Å; M239-S242 PolarHBondContact O-N 3.22Å; M239-S242 PolarHBondContact O-OG 3.15Å; F240-S242 VanDerWaalsContact C-N 3.34Å
243	W	94.7	Very high	87.8	Confident	81 Å²	81	86 Å²	86	31%	0.307	45%	0.447	S	S	.	.	S	Bend	trans	-64.8	168.1	177.5	-63.3	-23.5	0	0	0	113.2	M239 F240 E247 K248 A251	M239-W243 HydrophobicContact CE-CH2 4.11Å; M239-W243 HydrophobicContact CE-CZ2 3.78Å; M239-W243 HydrophobicContact CG-CZ2 3.82Å; M239-W243 PolarHBondContact O-N 3.17Å; M239-W243 HydrophobicContact SD-CZ2 4.05Å; F240-W243 HydrophobicContact CB-CE3 4.42Å; F240-W243 HydrophobicContact CB-CZ3 4.44Å; F240-W243 AromaticContact CD2-CE3 3.75Å; F240-W243 HydrophobicContact CD2-CE3 3.75Å; F240-W243 AromaticContact CD2-CZ3 3.58Å; F240-W243 HydrophobicContact CD2-CZ3 3.58Å; F240-W243 HydrophobicContact CE2-CE3 4.34Å; F240-W243 HydrophobicContact CE2-CZ3 4.26Å; F240-W243 HydrophobicContact CG-CE3 4.34Å; F240-W243 HydrophobicContact CG-CZ3 4.41Å; W243-E247 HydrophobicContact CB-CB 4.02Å; W243-K248 HydrophobicContact CB-CG 4.05Å; W243-K248 HydrophobicContact CE3-CG 4.48Å; W243-K248 WeakPolarHBondContact O-CE 3.23Å; W243-K248 PolarHBondContact O-NZ 3.23Å; W243-A251 HydrophobicContact CE3-CB 4.08Å; W243-A251 HydrophobicContact CH2-CB 4.24Å; W243-A251 HydrophobicContact CZ3-CB 3.43Å; W243-A251 VanDerWaalsContact CZ3-CB 3.43Å
244	S	89.1	Confident	88.2	Confident	54 Å²	54	90 Å²	90	38%	0.378	46%	0.464	S	S	.	.			trans	-79.1	176.8	171.6	72.4	0	0	0	0	112.6	E247 K248	S244-E247 WeakPolarHBondContact CA-OE2 3.24Å; S244-E247 WeakPolarHBondContact CB-OE2 3.48Å; S244-E247 PolarHBondContact N-OE2 2.8Å; S244-E247 WeakPolarHBondContact OG-CG 3.35Å; S244-E247 PolarHBondContact OG-OE2 2.85Å; S244-K248 WeakPolarHBondContact O-CE 3.28Å; S244-K248 WeakPolarHBondContact O-CG 3.15Å; S244-K248 PolarHBondContact O-N 3.28Å
245	G	85.2	Confident	88.4	Confident	49 Å²	49	86.6 Å²	86.6	51%	0.505	45%	0.45	S	S	.	.	H	α-helix	trans	-60	-56	178.4	0	0	0	0	0	113.7	E247 K248 L249	G245-E247 PolarHBondContact O-N 3.1Å; G245-K248 PolarHBondContact O-N 2.75Å; G245-L249 PolarHBondContact O-N 3.4Å
246	P	90.4	Very high	88.4	Confident	86 Å²	86	83 Å²	83	56%	0.558	43%	0.434	S	S	*	.	H	α-helix	trans	-61.6	-39.4	179.8	-25.6	35.8	0	0	0	113.6	K248 L249 L250	P246-K248 VanDerWaalsContact C-N 3.3Å; P246-K248 PolarHBondContact O-N 3.25Å; P246-L249 PolarHBondContact O-N 3.11Å; P246-L249 VanDerWaalsContact O-N 3.11Å; P246-L250 PolarHBondContact O-N 2.75Å
247	E	89	Confident	88.3	Confident	101 Å²	101	85.2 Å²	85.2	47%	0.472	45%	0.453	S	S	.	.	H	α-helix	trans	-62.9	-36.1	178.1	-69.2	165.3	141.8	0	0	112.1	W243 S244 G245 L249 A251	W243-E247 HydrophobicContact CB-CB 4.02Å; S244-E247 WeakPolarHBondContact CA-OE2 3.24Å; S244-E247 WeakPolarHBondContact CB-OE2 3.48Å; S244-E247 PolarHBondContact N-OE2 2.8Å; S244-E247 WeakPolarHBondContact OG-CG 3.35Å; S244-E247 PolarHBondContact OG-OE2 2.85Å; G245-E247 PolarHBondContact O-N 3.1Å; E247-L249 VanDerWaalsContact C-N 3.35Å; E247-A251 VanDerWaalsContact O-CB 3.24Å; E247-A251 WeakPolarHBondContact O-CB 3.18Å; E247-A251 PolarHBondContact O-N 3.44Å
248	K	89.7	Confident	88.4	Confident	55 Å²	55	86.9 Å²	86.9	24%	0.239	47%	0.47	C	S	.	.	H	α-helix	trans	-70.5	-28.4	173.9	-73.3	173.7	-140.8	-175.7	0	113.4	F240 Q241 W243 S244 G245 P246 L252	F240-K248 HydrophobicContact CD1-CD 4.41Å; F240-K248 HydrophobicContact CD1-CG 4.39Å; F240-K248 HydrophobicContact CE1-CB 4.33Å; F240-K248 HydrophobicContact CE1-CD 4.01Å; F240-K248 HydrophobicContact CE1-CG 3.95Å; F240-K248 HydrophobicContact CE2-CB 4.19Å; F240-K248 HydrophobicContact CE2-CG 4.09Å; F240-K248 HydrophobicContact CZ-CB 3.78Å; F240-K248 HydrophobicContact CZ-CD 4.31Å; F240-K248 HydrophobicContact CZ-CG 3.78Å; F240-K248 WeakPolarHBondContact O-CD 3.15Å; F240-K248 WeakPolarHBondContact O-CE 3.38Å; Q241-K248 PolarHBondContact O-NZ 2.93Å; W243-K248 HydrophobicContact CB-CG 4.05Å; W243-K248 HydrophobicContact CE3-CG 4.48Å; W243-K248 WeakPolarHBondContact O-CE 3.23Å; W243-K248 PolarHBondContact O-NZ 3.23Å; S244-K248 WeakPolarHBondContact O-CE 3.28Å; S244-K248 WeakPolarHBondContact O-CG 3.15Å; S244-K248 PolarHBondContact O-N 3.28Å; G245-K248 PolarHBondContact O-N 2.75Å; P246-K248 VanDerWaalsContact C-N 3.3Å; P246-K248 PolarHBondContact O-N 3.25Å; K248-L252 WeakPolarHBondContact O-CB 3.45Å; K248-L252 WeakPolarHBondContact O-CD1 3.48Å; K248-L252 WeakPolarHBondContact O-CG 3.36Å; K248-L252 PolarHBondContact O-N 3.04Å; K248-L252 VanDerWaalsContact O-N 3.16Å
249	L	83.6	Confident	88.5	Confident	109 Å²	109	81.4 Å²	81.4	57%	0.571	45%	0.449	S	S	*	.	H	α-helix	trans	-72.3	-53.6	175.1	-67.5	173.1	0	0	0	109.9	G245 P246 E247 A251 L252 D253	G245-L249 PolarHBondContact O-N 3.4Å; P246-L249 PolarHBondContact O-N 3.11Å; P246-L249 VanDerWaalsContact O-N 3.11Å; E247-L249 VanDerWaalsContact C-N 3.35Å; L249-A251 VanDerWaalsContact C-N 3.27Å; L249-A251 PolarHBondContact O-N 3.28Å; L249-L252 CarbonylContact O-C 3.54Å; L249-L252 WeakPolarHBondContact O-CA 3.34Å; L249-L252 WeakPolarHBondContact O-CB 3.46Å; L249-L252 PolarHBondContact O-N 2.71Å; L249-D253 VanDerWaalsContact O-CG 3.27Å; L249-D253 PolarHBondContact O-N 3.18Å
250	L	89.6	Confident	88.6	Confident	116 Å²	116	82.9 Å²	82.9	61%	0.607	46%	0.455	S	S	*	.	H	α-helix	trans	-54.3	-43.1	176.2	-67.1	171.8	0	0	0	112.3	P246 L252 D253 E254	P246-L250 PolarHBondContact O-N 2.75Å; L250-L252 VanDerWaalsContact C-N 3.29Å; L250-L252 PolarHBondContact O-N 2.88Å; L250-D253 PolarHBondContact O-N 2.79Å; L250-E254 WeakPolarHBondContact O-CB 3.33Å; L250-E254 WeakPolarHBondContact O-CG 3.49Å; L250-E254 PolarHBondContact O-N 3.45Å
251	A	87.1	Confident	88.3	Confident	26 Å²	26	86.6 Å²	86.6	22%	0.215	48%	0.482	C	S	.	.	H	α-helix	trans	-77.2	-8.5	177.6	0	0	0	0	0	114.8	F240 W243 E247 L249 L255	F240-A251 HydrophobicContact CE2-CB 4.45Å; W243-A251 HydrophobicContact CE3-CB 4.08Å; W243-A251 HydrophobicContact CH2-CB 4.24Å; W243-A251 HydrophobicContact CZ3-CB 3.43Å; W243-A251 VanDerWaalsContact CZ3-CB 3.43Å; E247-A251 VanDerWaalsContact O-CB 3.24Å; E247-A251 WeakPolarHBondContact O-CB 3.18Å; E247-A251 PolarHBondContact O-N 3.44Å; L249-A251 VanDerWaalsContact C-N 3.27Å; L249-A251 PolarHBondContact O-N 3.28Å; A251-L255 VanDerWaalsContact O-CB 3.23Å; A251-L255 WeakPolarHBondContact O-CB 3.27Å
252	L	87.4	Confident	88.1	Confident	67 Å²	67	84.8 Å²	84.8	35%	0.351	48%	0.481	S	S	.	.	H	α-helix	trans	-89.1	-39.3	166.1	-79.3	167.9	0	0	0	110.8	F240 K248 L249 L250 L255 I256	F240-L252 HydrophobicContact CE2-CD2 4.45Å; F240-L252 HydrophobicContact CE2-CG 4.14Å; F240-L252 HydrophobicContact CZ-CD1 4.03Å; F240-L252 HydrophobicContact CZ-CD2 4.17Å; F240-L252 HydrophobicContact CZ-CG 3.86Å; K248-L252 WeakPolarHBondContact O-CB 3.45Å; K248-L252 WeakPolarHBondContact O-CD1 3.48Å; K248-L252 WeakPolarHBondContact O-CG 3.36Å; K248-L252 PolarHBondContact O-N 3.04Å; K248-L252 VanDerWaalsContact O-N 3.16Å; L249-L252 CarbonylContact O-C 3.54Å; L249-L252 WeakPolarHBondContact O-CA 3.34Å; L249-L252 WeakPolarHBondContact O-CB 3.46Å; L249-L252 PolarHBondContact O-N 2.71Å; L250-L252 VanDerWaalsContact C-N 3.29Å; L250-L252 PolarHBondContact O-N 2.88Å; L252-L255 PolarHBondContact O-N 3.23Å; L252-I256 WeakPolarHBondContact O-CB 3.39Å; L252-I256 WeakPolarHBondContact O-CD1 3.42Å; L252-I256 WeakPolarHBondContact O-CG1 3.18Å; L252-I256 PolarHBondContact O-N 3.03Å
253	D	85.6	Confident	87.8	Confident	86 Å²	86	84.1 Å²	84.1	46%	0.46	47%	0.467	S	S	.	.	H	α-helix	trans	-62.1	-54.1	177.6	-60.1	-33.1	0	0	0	110.4	L249 L250 L255 I256 D257	L249-D253 VanDerWaalsContact O-CG 3.27Å; L249-D253 PolarHBondContact O-N 3.18Å; L250-D253 PolarHBondContact O-N 2.79Å; D253-L255 PolarHBondContact O-N 3.32Å; D253-I256 PolarHBondContact O-N 2.93Å; D253-I256 VanDerWaalsContact O-N 3.1Å; D253-D257 PolarHBondContact O-N 3.05Å
254	E	90.2	Very high	87.2	Confident	149 Å²	149	82.6 Å²	82.6	70%	0.696	47%	0.467	S	S	*	.	H	α-helix	trans	-57.2	-34.7	174	-69.8	-80.2	159.7	0	0	112.7	L250 S258	L250-E254 WeakPolarHBondContact O-CB 3.33Å; L250-E254 WeakPolarHBondContact O-CG 3.49Å; L250-E254 PolarHBondContact O-N 3.45Å; E254-S258 WeakPolarHBondContact O-CB 3.22Å; E254-S258 PolarHBondContact O-N 2.76Å; E254-S258 VanDerWaalsContact O-N 3.11Å
255	L	87.3	Confident	86.8	Confident	55 Å²	55	86.7 Å²	86.7	29%	0.288	48%	0.478	S	S	.	.	H	α-helix	trans	-74.2	-36.1	178.4	-175	147.2	0	0	0	111.8	W236 A251 L252 D253 S258 C259 M267	W236-L255 HydrophobicContact CH2-CD1 4.01Å; W236-L255 HydrophobicContact CZ2-CD1 3.85Å; A251-L255 VanDerWaalsContact O-CB 3.23Å; A251-L255 WeakPolarHBondContact O-CB 3.27Å; L252-L255 PolarHBondContact O-N 3.23Å; D253-L255 PolarHBondContact O-N 3.32Å; L255-S258 PolarHBondContact O-N 2.83Å; L255-S258 PolarHBondContact O-OG 3.25Å; L255-C259 PolarHBondContact O-N 3.27Å; L255-M267 HydrophobicContact CD2-CE 4.33Å
256	I	84.2	Confident	86.6	Confident	66 Å²	66	88 Å²	88	34%	0.338	47%	0.471	S	S	.	.	H	α-helix	trans	-66.7	-45.1	173.9	-73.2	161.8	0	0	0	110.4	L252 D253 S258 C259 M267	L252-I256 WeakPolarHBondContact O-CB 3.39Å; L252-I256 WeakPolarHBondContact O-CD1 3.42Å; L252-I256 WeakPolarHBondContact O-CG1 3.18Å; L252-I256 PolarHBondContact O-N 3.03Å; D253-I256 PolarHBondContact O-N 2.93Å; D253-I256 VanDerWaalsContact O-N 3.1Å; I256-S258 PolarHBondContact O-N 3.42Å; I256-C259 WeakPolarHBondContact O-CB 3.32Å; I256-C259 PolarHBondContact O-N 2.91Å; I256-M267 HydrophobicContact CD1-CE 4.39Å; I256-M267 HydrophobicContact CG1-CE 3.65Å
257	D	87.5	Confident	86.2	Confident	142 Å²	142	86 Å²	86	76%	0.759	45%	0.454	S	S	*	.	H	α-helix	trans	-66.2	-23.4	177.5	-77	-10.3	0	0	0	112.5	D253	D253-D257 PolarHBondContact O-N 3.05Å
258	S	88.5	Confident	85.4	Confident	91 Å²	91	87 Å²	87	64%	0.636	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-9.6	172.4	81.1	0	0	0	0	115.2	E254 L255 I256	E254-S258 WeakPolarHBondContact O-CB 3.22Å; E254-S258 PolarHBondContact O-N 2.76Å; E254-S258 VanDerWaalsContact O-N 3.11Å; L255-S258 PolarHBondContact O-N 2.83Å; L255-S258 PolarHBondContact O-OG 3.25Å; I256-S258 PolarHBondContact O-N 3.42Å
259	C	89	Confident	84.8	Confident	29 Å²	29	89.6 Å²	89.6	20%	0.196	47%	0.474	C	S	.	.	S	Bend	trans	-91.3	143	-172.3	-93.6	0	0	0	0	114.1	L255 I256 Q263 V264	L255-C259 PolarHBondContact O-N 3.27Å; I256-C259 WeakPolarHBondContact O-CB 3.32Å; I256-C259 PolarHBondContact O-N 2.91Å; C259-Q263 HydrophobicContact CB-CB 4.08Å; C259-Q263 PolarHBondContact SG-OE1 3.48Å; C259-V264 HydrophobicContact CB-CG2 3.81Å
260	E	90.9	Very high	84.4	Confident	116 Å²	116	87 Å²	87	54%	0.542	46%	0.462	S	S	.	.			trans	-66.1	152.9	171.3	-65.1	178.3	153.6	0	0	111.8	T262 Q263 V264	E260-T262 WeakPolarHBondContact CB-OG1 3.41Å; E260-T262 PolarHBondContact O-N 3.41Å; E260-T262 PolarHBondContact OE2-OG1 3.41Å; E260-Q263 HydrophobicContact CB-CG 4.03Å; E260-Q263 WeakPolarHBondContact O-CA 3.49Å; E260-Q263 WeakPolarHBondContact O-CB 3.5Å; E260-Q263 PolarHBondContact O-N 2.9Å; E260-Q263 PolarHBondContact OE2-NE2 3.08Å; E260-V264 PolarHBondContact O-N 3.45Å
261	P	85.5	Confident	83.4	Confident	113 Å²	113	85.2 Å²	85.2	73%	0.734	45%	0.452	S	S	*	.	H	α-helix	trans	-56.5	-27.7	178.4	-27.7	35.7	0	0	0	114.9	K265	P261-K265 VanDerWaalsContact O-CB 3.29Å; P261-K265 WeakPolarHBondContact O-CB 3.44Å; P261-K265 PolarHBondContact O-N 3.1Å
262	T	84.3	Confident	82.3	Confident	96 Å²	96	89.3 Å²	89.3	59%	0.589	47%	0.467	S	S	*	.	H	α-helix	trans	-65.9	-41	171.9	47	0	0	0	0	112	E260 H266	E260-T262 WeakPolarHBondContact CB-OG1 3.41Å; E260-T262 PolarHBondContact O-N 3.41Å; E260-T262 PolarHBondContact OE2-OG1 3.41Å; T262-H266 PolarHBondContact O-N 2.8Å; T262-H266 VanDerWaalsContact O-N 3.09Å
263	Q	85.5	Confident	81.1	Confident	79 Å²	79	89.7 Å²	89.7	37%	0.369	47%	0.474	S	S	.	.	H	α-helix	trans	-73.9	-44	178.9	-56.9	168.5	20.5	0	0	110.3	C259 E260 K265 H266 M267	C259-Q263 HydrophobicContact CB-CB 4.08Å; C259-Q263 PolarHBondContact SG-OE1 3.48Å; E260-Q263 HydrophobicContact CB-CG 4.03Å; E260-Q263 WeakPolarHBondContact O-CA 3.49Å; E260-Q263 WeakPolarHBondContact O-CB 3.5Å; E260-Q263 PolarHBondContact O-N 2.9Å; E260-Q263 PolarHBondContact OE2-NE2 3.08Å; Q263-K265 VanDerWaalsContact C-N 3.33Å; Q263-K265 PolarHBondContact O-N 2.89Å; Q263-H266 CarbonylContact O-C 3.54Å; Q263-H266 WeakPolarHBondContact O-CA 3.4Å; Q263-H266 WeakPolarHBondContact O-CB 3.46Å; Q263-H266 PolarHBondContact O-N 3.18Å; Q263-H266 VanDerWaalsContact O-N 3.08Å; Q263-M267 WeakPolarHBondContact O-CG 3.33Å; Q263-M267 PolarHBondContact O-N 3.4Å
264	V	81.2	Confident	79.6	Confident	49 Å²	49	89 Å²	89	30%	0.297	47%	0.468	S	S	.	.	H	α-helix	trans	-58.6	-44.1	173	178.7	0	0	0	0	110.9	C259 E260 H266 M267 M268	C259-V264 HydrophobicContact CB-CG2 3.81Å; E260-V264 PolarHBondContact O-N 3.45Å; V264-H266 VanDerWaalsContact C-N 3.32Å; V264-H266 PolarHBondContact O-N 2.95Å; V264-M267 WeakPolarHBondContact O-CB 3.21Å; V264-M267 PolarHBondContact O-N 3.08Å; V264-M268 WeakPolarHBondContact O-CG 3.44Å; V264-M268 PolarHBondContact O-N 3.42Å
265	K	80.3	Confident	77.8	Confident	140 Å²	140	90 Å²	90	61%	0.609	47%	0.47	S	S	*	.	H	α-helix	trans	-62.3	-36.8	174.7	-171.9	173	-175.7	174.6	0	112.7	P261 Q263 Q269	P261-K265 VanDerWaalsContact O-CB 3.29Å; P261-K265 WeakPolarHBondContact O-CB 3.44Å; P261-K265 PolarHBondContact O-N 3.1Å; Q263-K265 VanDerWaalsContact C-N 3.33Å; Q263-K265 PolarHBondContact O-N 2.89Å; K265-Q269 WeakPolarHBondContact O-CG 3.41Å; K265-Q269 PolarHBondContact O-N 3.02Å
266	H	81.9	Confident	76.5	Confident	77 Å²	77	94.7 Å²	94.7	36%	0.356	49%	0.491	S	S	.	.	H	α-helix	trans	-68.8	-39.8	173	-180	49.4	0	0	0	112.2	T262 Q263 V264 Q269 V270	T262-H266 PolarHBondContact O-N 2.8Å; T262-H266 VanDerWaalsContact O-N 3.09Å; Q263-H266 CarbonylContact O-C 3.54Å; Q263-H266 WeakPolarHBondContact O-CA 3.4Å; Q263-H266 WeakPolarHBondContact O-CB 3.46Å; Q263-H266 PolarHBondContact O-N 3.18Å; Q263-H266 VanDerWaalsContact O-N 3.08Å; V264-H266 VanDerWaalsContact C-N 3.32Å; V264-H266 PolarHBondContact O-N 2.95Å; H266-Q269 WeakPolarHBondContact O-CB 3.42Å; H266-Q269 PolarHBondContact O-N 2.9Å; H266-V270 WeakPolarHBondContact O-CG2 3.39Å; H266-V270 PolarHBondContact O-N 2.91Å; H266-V270 VanDerWaalsContact O-N 3.1Å
267	M	81.3	Confident	75.6	Confident	44 Å²	44	99 Å²	99	22%	0.217	50%	0.502	C	S	.	.	H	α-helix	trans	-60.1	-45.4	173.9	-72	173.3	66.3	0	0	111.1	L255 I256 Q263 V264 Q269 V270 I271	L255-M267 HydrophobicContact CD2-CE 4.33Å; I256-M267 HydrophobicContact CD1-CE 4.39Å; I256-M267 HydrophobicContact CG1-CE 3.65Å; Q263-M267 WeakPolarHBondContact O-CG 3.33Å; Q263-M267 PolarHBondContact O-N 3.4Å; V264-M267 WeakPolarHBondContact O-CB 3.21Å; V264-M267 PolarHBondContact O-N 3.08Å; M267-Q269 VanDerWaalsContact C-N 3.35Å; M267-Q269 PolarHBondContact O-N 3.09Å; M267-V270 CarbonylContact O-C 3.5Å; M267-V270 PolarHBondContact O-N 2.83Å; M267-I271 HydrophobicContact CB-CD1 4.23Å; M267-I271 VanDerWaalsContact O-CB 3.32Å; M267-I271 WeakPolarHBondContact O-CB 3.4Å; M267-I271 WeakPolarHBondContact O-CD1 3.43Å; M267-I271 VanDerWaalsContact O-CG1 3.22Å; M267-I271 WeakPolarHBondContact O-CG1 3.42Å; M267-I271 PolarHBondContact O-N 3.32Å
268	M	73.8	Confident	75.2	Confident	123 Å²	123	94.7 Å²	94.7	61%	0.606	48%	0.479	S	S	*	.	H	α-helix	trans	-55.1	-48.4	173	-69.8	-170.6	78.2	0	0	111.6	V264 V270 I271 E272	V264-M268 WeakPolarHBondContact O-CG 3.44Å; V264-M268 PolarHBondContact O-N 3.42Å; M268-V270 PolarHBondContact O-N 3.04Å; M268-V270 VanDerWaalsContact O-N 3.15Å; M268-I271 PolarHBondContact O-N 3.3Å; M268-I271 VanDerWaalsContact O-N 3.15Å; M268-E272 WeakPolarHBondContact O-CB 3.41Å; M268-E272 PolarHBondContact O-N 3.06Å
269	Q	76.3	Confident	75	Confident	109 Å²	109	96.8 Å²	96.8	51%	0.509	48%	0.477	S	S	.	.	H	α-helix	trans	-62	-20.9	177	-70.6	174	-17.4	0	0	114.6	K265 H266 M267 P273	K265-Q269 WeakPolarHBondContact O-CG 3.41Å; K265-Q269 PolarHBondContact O-N 3.02Å; H266-Q269 WeakPolarHBondContact O-CB 3.42Å; H266-Q269 PolarHBondContact O-N 2.9Å; M267-Q269 VanDerWaalsContact C-N 3.35Å; M267-Q269 PolarHBondContact O-N 3.09Å; Q269-P273 WeakPolarHBondContact O-CD 3.37Å; Q269-P273 WeakPolarHBondContact O-CG 3.49Å
270	V	75	Confident	75	Confident	55 Å²	55	96 Å²	96	33%	0.333	47%	0.471	S	S	.	.	H	α-helix	trans	-93.9	-27.7	176.8	172.6	0	0	0	0	112.2	H266 M267 M268	H266-V270 WeakPolarHBondContact O-CG2 3.39Å; H266-V270 PolarHBondContact O-N 2.91Å; H266-V270 VanDerWaalsContact O-N 3.1Å; M267-V270 CarbonylContact O-C 3.5Å; M267-V270 PolarHBondContact O-N 2.83Å; M268-V270 PolarHBondContact O-N 3.04Å; M268-V270 VanDerWaalsContact O-N 3.15Å
271	I	69.1	Low	74.8	Confident	77 Å²	77	92.7 Å²	92.7	40%	0.395	46%	0.461	S	S	.	.	H	α-helix	trans	-85.9	-42	-179.5	-71.2	166.6	0	0	0	111.4	M267 M268 Q274 F275	M267-I271 HydrophobicContact CB-CD1 4.23Å; M267-I271 VanDerWaalsContact O-CB 3.32Å; M267-I271 WeakPolarHBondContact O-CB 3.4Å; M267-I271 WeakPolarHBondContact O-CD1 3.43Å; M267-I271 VanDerWaalsContact O-CG1 3.22Å; M267-I271 WeakPolarHBondContact O-CG1 3.42Å; M267-I271 PolarHBondContact O-N 3.32Å; M268-I271 PolarHBondContact O-N 3.3Å; M268-I271 VanDerWaalsContact O-N 3.15Å; I271-Q274 WeakPolarHBondContact O-CA 3.42Å; I271-Q274 VanDerWaalsContact O-CB 3.27Å; I271-Q274 WeakPolarHBondContact O-CB 3.42Å; I271-Q274 PolarHBondContact O-N 3.34Å; I271-F275 HydrophobicContact CG2-CD2 3.59Å; I271-F275 HydrophobicContact CG2-CE2 3.55Å; I271-F275 PolarHBondContact O-N 3.08Å
272	E	63	Low	74.9	Confident	112 Å²	112	93.1 Å²	93.1	52%	0.523	46%	0.456	S	S	.	.	H	α-helix	trans	-53.4	-43.8	-179.6	175.1	177.7	-158.9	0	0	112.5	M268 Q274 F275 Q276	M268-E272 WeakPolarHBondContact O-CB 3.41Å; M268-E272 PolarHBondContact O-N 3.06Å; E272-Q274 PolarHBondContact O-N 3.36Å; E272-F275 CarbonylContact O-C 3.57Å; E272-F275 PolarHBondContact O-N 3.42Å; E272-Q276 PolarHBondContact O-N 3.02Å
273	P	62.6	Low	75.1	Confident	76 Å²	76	90 Å²	90	49%	0.494	44%	0.436	S	S	.	.	H	α-helix	trans	-66.2	-15.2	172	-23.1	35.3	0	0	0	115.8	Q269	Q269-P273 WeakPolarHBondContact O-CD 3.37Å; Q269-P273 WeakPolarHBondContact O-CG 3.49Å
274	Q	53.7	Low	75.5	Confident	71 Å²	71	90.1 Å²	90.1	33%	0.332	44%	0.443	S	S	.	.	H	α-helix	trans	-80.6	-34.3	169.6	-54.7	-63.3	-44.1	0	0	111.2	I271 E272 R277	I271-Q274 WeakPolarHBondContact O-CA 3.42Å; I271-Q274 VanDerWaalsContact O-CB 3.27Å; I271-Q274 WeakPolarHBondContact O-CB 3.42Å; I271-Q274 PolarHBondContact O-N 3.34Å; E272-Q274 PolarHBondContact O-N 3.36Å; Q274-R277 WeakPolarHBondContact O-CB 3.34Å; Q274-R277 WeakPolarHBondContact O-CG 3.3Å; Q274-R277 PolarHBondContact O-N 2.79Å
275	F	53.4	Low	76	Confident	169 Å²	169	94.4 Å²	94.4	74%	0.741	46%	0.458	S	S	*	.	H	α-helix	trans	-79.4	-20.7	174.8	-79.2	-86.1	0	0	0	113.3	I271 E272 R277	I271-F275 HydrophobicContact CG2-CD2 3.59Å; I271-F275 HydrophobicContact CG2-CE2 3.55Å; I271-F275 PolarHBondContact O-N 3.08Å; E272-F275 CarbonylContact O-C 3.57Å; E272-F275 PolarHBondContact O-N 3.42Å; F275-R277 PolarHBondContact O-N 3.16Å; F275-R277 VanDerWaalsContact O-N 3.07Å
276	Q	58.6	Low	76.7	Confident	155 Å²	155	95.7 Å²	95.7	72%	0.724	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	11.4	165.9	-68.5	-156.9	6	0	0	114.2	E272	E272-Q276 PolarHBondContact O-N 3.02Å
277	R	66.5	Low	77.3	Confident	155 Å²	155	96.3 Å²	96.3	59%	0.585	47%	0.472	S	S	*	.	S	Bend	trans	-70.7	133.9	164.4	-75.9	178.9	170.8	156.8	3.6	109.7	Q274 F275 F279 L282	Q274-R277 WeakPolarHBondContact O-CB 3.34Å; Q274-R277 WeakPolarHBondContact O-CG 3.3Å; Q274-R277 PolarHBondContact O-N 2.79Å; F275-R277 PolarHBondContact O-N 3.16Å; F275-R277 VanDerWaalsContact O-N 3.07Å; R277-F279 PolarHBondContact O-N 2.93Å; R277-L282 HydrophobicContact CB-CD1 4.08Å
278	D	77.8	Confident	78	Confident	52 Å²	52	94.2 Å²	94.2	28%	0.278	46%	0.461	S	S	.	.			trans	-59.5	94.7	177.9	179.3	-6.9	0	0	0	111.4	I280 S281 L282 W310	D278-I280 VanDerWaalsContact C-N 3.31Å; D278-I280 PolarHBondContact O-N 3.42Å; D278-I280 PolarHBondContact OD1-N 3.21Å; D278-S281 PolarHBondContact O-N 2.99Å; D278-S281 VanDerWaalsContact O-N 3.14Å; D278-S281 PolarHBondContact OD1-N 3.22Å; D278-S281 VanDerWaalsContact OD2-CB 3.28Å; D278-S281 WeakPolarHBondContact OD2-CB 3.26Å; D278-S281 PolarHBondContact OD2-OG 2.76Å; D278-L282 WeakPolarHBondContact O-CG 3.32Å; D278-L282 PolarHBondContact O-N 2.77Å; D278-W310 PolarHBondContact OD1-NE1 2.92Å; D278-W310 VanDerWaalsContact OD2-CD1 3.31Å; D278-W310 PolarHBondContact OD2-NE1 3.42Å
279	F	85	Confident	79	Confident	136 Å²	136	90.5 Å²	90.5	60%	0.596	44%	0.444	S	S	*	.	H	α-helix	trans	-61.1	-37.9	-176.9	-179.1	-106.5	0	0	0	112.4	R277 S281 L282 L283	R277-F279 PolarHBondContact O-N 2.93Å; F279-S281 VanDerWaalsContact C-N 3.32Å; F279-S281 PolarHBondContact O-N 3.39Å; F279-L282 PolarHBondContact O-N 3.4Å; F279-L283 HydrophobicContact CD1-CD1 4.1Å; F279-L283 HydrophobicContact CD1-CG 4.32Å; F279-L283 HydrophobicContact CE1-CD1 3.72Å; F279-L283 HydrophobicContact CE1-CD2 4.19Å; F279-L283 HydrophobicContact CE1-CG 4.02Å; F279-L283 HydrophobicContact CE2-CD2 4.45Å; F279-L283 HydrophobicContact CZ-CD1 4.32Å; F279-L283 HydrophobicContact CZ-CD2 3.94Å; F279-L283 HydrophobicContact CZ-CG 4.22Å; F279-L283 PolarHBondContact O-N 3.46Å
280	I	89.4	Confident	80	Confident	12 Å²	12	92.2 Å²	92.2	6%	0.062	45%	0.446	C	S	.	.	H	α-helix	trans	-66.4	-35	176.9	-62.9	-58.7	0	0	0	111.1	D278 L282 L283 A288 V291 W310 L313	D278-I280 VanDerWaalsContact C-N 3.31Å; D278-I280 PolarHBondContact O-N 3.42Å; D278-I280 PolarHBondContact OD1-N 3.21Å; I280-L282 VanDerWaalsContact C-N 3.26Å; I280-L282 PolarHBondContact O-N 3.35Å; I280-L283 HydrophobicContact CD1-CD1 4.24Å; I280-A288 HydrophobicContact CG2-CB 4.12Å; I280-V291 HydrophobicContact CD1-CB 4.12Å; I280-V291 HydrophobicContact CD1-CG1 3.77Å; I280-W310 HydrophobicContact CB-CH2 4.4Å; I280-W310 HydrophobicContact CB-CZ2 3.61Å; I280-W310 HydrophobicContact CG1-CH2 3.75Å; I280-W310 HydrophobicContact CG1-CZ2 3.38Å; I280-W310 HydrophobicContact CG2-CD2 4.4Å; I280-W310 HydrophobicContact CG2-CZ2 4.28Å; I280-L313 HydrophobicContact CG2-CD1 3.58Å
281	S	86.3	Confident	81	Confident	47 Å²	47	92.6 Å²	92.6	33%	0.329	45%	0.449	S	S	.	.	H	α-helix	trans	-73.5	-11.4	170.7	-69.4	0	0	0	0	114.6	D278 F279 Y309	D278-S281 PolarHBondContact O-N 2.99Å; D278-S281 VanDerWaalsContact O-N 3.14Å; D278-S281 PolarHBondContact OD1-N 3.22Å; D278-S281 VanDerWaalsContact OD2-CB 3.28Å; D278-S281 WeakPolarHBondContact OD2-CB 3.26Å; D278-S281 PolarHBondContact OD2-OG 2.76Å; F279-S281 VanDerWaalsContact C-N 3.32Å; F279-S281 PolarHBondContact O-N 3.39Å; S281-Y309 WeakPolarHBondContact OG-CD1 3.34Å
282	L	87.3	Confident	82.3	Confident	121 Å²	121	89 Å²	89	63%	0.634	43%	0.43	S	S	*	.	H	α-helix	trans	-99.4	-17.3	176	-66.3	174.1	0	0	0	113.4	R277 D278 F279 I280	R277-L282 HydrophobicContact CB-CD1 4.08Å; D278-L282 WeakPolarHBondContact O-CG 3.32Å; D278-L282 PolarHBondContact O-N 2.77Å; F279-L282 PolarHBondContact O-N 3.4Å; I280-L282 VanDerWaalsContact C-N 3.26Å; I280-L282 PolarHBondContact O-N 3.35Å
283	L	89.3	Confident	83.9	Confident	32 Å²	32	85.2 Å²	85.2	17%	0.168	42%	0.416	C	S	.	.	S	Bend	trans	-75.5	150	176.8	-76.4	179.6	0	0	0	112.8	F279 I280 L287 A288 V291	F279-L283 HydrophobicContact CD1-CD1 4.1Å; F279-L283 HydrophobicContact CD1-CG 4.32Å; F279-L283 HydrophobicContact CE1-CD1 3.72Å; F279-L283 HydrophobicContact CE1-CD2 4.19Å; F279-L283 HydrophobicContact CE1-CG 4.02Å; F279-L283 HydrophobicContact CE2-CD2 4.45Å; F279-L283 HydrophobicContact CZ-CD1 4.32Å; F279-L283 HydrophobicContact CZ-CD2 3.94Å; F279-L283 HydrophobicContact CZ-CG 4.22Å; F279-L283 PolarHBondContact O-N 3.46Å; I280-L283 HydrophobicContact CD1-CD1 4.24Å; L283-L287 HydrophobicContact CB-CB 4.48Å; L283-L287 HydrophobicContact CD1-CB 4.34Å; L283-L287 HydrophobicContact CD2-CB 4.38Å; L283-A288 HydrophobicContact CB-CB 4.12Å; L283-V291 HydrophobicContact CD1-CG2 4.23Å
284	P	94.3	Very high	85.5	Confident	81 Å²	81	88.4 Å²	88.4	53%	0.526	42%	0.422	S	S	.	.			trans	-51.4	139.8	157.7	-23.6	33.8	0	0	0	111	E286 L287 A288	P284-E286 VanDerWaalsContact C-N 3.26Å; P284-E286 PolarHBondContact O-N 3.4Å; P284-E286 VanDerWaalsContact O-N 3.14Å; P284-L287 HydrophobicContact CB-CG 4.49Å; P284-L287 HydrophobicContact CG-CD1 4.17Å; P284-L287 PolarHBondContact O-N 2.98Å; P284-A288 PolarHBondContact O-N 3.24Å
285	K	91.1	Very high	87.5	Confident	139 Å²	139	87.6 Å²	87.6	60%	0.604	42%	0.42	S	S	*	.	H	α-helix	trans	-54.3	-38.4	-172.5	-70.4	-177.9	178.3	179.2	0	114.1	A288 L289	K285-A288 PolarHBondContact O-N 3.06Å; K285-L289 WeakPolarHBondContact O-CB 3.49Å; K285-L289 WeakPolarHBondContact O-CG 3.31Å; K285-L289 PolarHBondContact O-N 2.85Å
286	E	94.6	Very high	89.5	Confident	167 Å²	167	84.9 Å²	84.9	78%	0.78	41%	0.41	S	S	*	.	H	α-helix	trans	-64.9	-43.1	178.5	-69.5	162.8	-150.7	0	0	111.6	P284 L289 Y290	P284-E286 VanDerWaalsContact C-N 3.26Å; P284-E286 PolarHBondContact O-N 3.4Å; P284-E286 VanDerWaalsContact O-N 3.14Å; E286-L289 PolarHBondContact O-N 3.08Å; E286-Y290 WeakPolarHBondContact O-CB 3.48Å; E286-Y290 PolarHBondContact O-N 2.88Å
287	L	95.4	Very high	91.3	Very high	90 Å²	90	77.7 Å²	77.7	47%	0.471	38%	0.377	S	S	.	.	H	α-helix	trans	-69.3	-36	175	-61.3	-176.8	0	0	0	111.7	L283 P284 Y290 V291	L283-L287 HydrophobicContact CB-CB 4.48Å; L283-L287 HydrophobicContact CD1-CB 4.34Å; L283-L287 HydrophobicContact CD2-CB 4.38Å; P284-L287 HydrophobicContact CB-CG 4.49Å; P284-L287 HydrophobicContact CG-CD1 4.17Å; P284-L287 PolarHBondContact O-N 2.98Å; L287-Y290 PolarHBondContact O-N 2.98Å; L287-V291 WeakPolarHBondContact O-CG2 3.38Å; L287-V291 PolarHBondContact O-N 3.1Å
288	A	94.8	Very high	92.6	Very high	0 Å²	0	77.7 Å²	77.7	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-63	-44	173.6	0	0	0	0	0	112	I280 L283 P284 K285 V291 L292 L313	I280-A288 HydrophobicContact CG2-CB 4.12Å; L283-A288 HydrophobicContact CB-CB 4.12Å; P284-A288 PolarHBondContact O-N 3.24Å; K285-A288 PolarHBondContact O-N 3.06Å; A288-V291 PolarHBondContact O-N 2.78Å; A288-L292 VanDerWaalsContact O-CG 3.31Å; A288-L292 WeakPolarHBondContact O-CG 3.48Å; A288-L292 PolarHBondContact O-N 3.25Å; A288-L292 VanDerWaalsContact O-N 3.1Å; A288-L313 HydrophobicContact CB-CD1 3.82Å
289	L	95.7	Very high	93.5	Very high	44 Å²	44	78.6 Å²	78.6	23%	0.23	39%	0.386	C	S	.	.	H	α-helix	trans	-67.3	-38.8	174.9	-71.2	173.6	0	0	0	112.1	K285 E286 V291 L292 S293 L313 D316	K285-L289 WeakPolarHBondContact O-CB 3.49Å; K285-L289 WeakPolarHBondContact O-CG 3.31Å; K285-L289 PolarHBondContact O-N 2.85Å; E286-L289 PolarHBondContact O-N 3.08Å; L289-V291 VanDerWaalsContact C-N 3.35Å; L289-V291 PolarHBondContact O-N 3.2Å; L289-L292 HydrophobicContact CD2-CD1 4.48Å; L289-L292 CarbonylContact O-C 3.6Å; L289-L292 WeakPolarHBondContact O-CA 3.35Å; L289-L292 PolarHBondContact O-N 2.89Å; L289-L292 VanDerWaalsContact O-N 3.08Å; L289-S293 PolarHBondContact O-N 3.18Å; L289-S293 PolarHBondContact O-OG 3.33Å; L289-L313 HydrophobicContact CD2-CB 4.26Å; L289-L313 HydrophobicContact CD2-CD2 4.2Å; L289-L313 WeakPolarHBondContact CD2-O 3.39Å; L289-L313 HydrophobicContact CG-CD2 4.31Å; L289-D316 HydrophobicContact CD1-CB 4.48Å; L289-D316 HydrophobicContact CD2-CB 3.67Å
290	Y	96.4	Very high	94.1	Very high	145 Å²	145	72.1 Å²	72.1	57%	0.569	36%	0.357	S	S	*	.	H	α-helix	trans	-63.4	-37.5	175.2	-177.7	-111.6	0	0	0	112.7	E286 L287 L292 S293 F294	E286-Y290 WeakPolarHBondContact O-CB 3.48Å; E286-Y290 PolarHBondContact O-N 2.88Å; L287-Y290 PolarHBondContact O-N 2.98Å; Y290-L292 VanDerWaalsContact C-N 3.34Å; Y290-S293 WeakPolarHBondContact CA-OG 3.48Å; Y290-S293 PolarHBondContact O-N 2.78Å; Y290-S293 PolarHBondContact O-OG 3.01Å; Y290-F294 HydrophobicContact CD1-CE2 4.06Å; Y290-F294 HydrophobicContact CD2-CE2 4.4Å; Y290-F294 AromaticContact CE1-CE2 3.72Å; Y290-F294 HydrophobicContact CE1-CE2 3.72Å; Y290-F294 HydrophobicContact CE1-CZ 4.09Å; Y290-F294 HydrophobicContact CE2-CE2 4.08Å; Y290-F294 HydrophobicContact CE2-CZ 4.08Å; Y290-F294 HydrophobicContact CG-CE2 4.4Å; Y290-F294 AromaticContact CZ-CE2 3.73Å; Y290-F294 AromaticContact CZ-CZ 3.69Å; Y290-F294 WeakPolarHBondContact O-CD2 3.35Å; Y290-F294 VanDerWaalsContact O-CE2 3.28Å; Y290-F294 WeakPolarHBondContact O-CE2 3.19Å
291	V	96.5	Very high	94.3	Very high	63 Å²	63	74.1 Å²	74.1	38%	0.382	37%	0.368	S	S	.	.	H	α-helix	trans	-65.9	-37.9	170.8	172.6	0	0	0	0	111.1	I280 L283 L287 A288 L289	I280-V291 HydrophobicContact CD1-CB 4.12Å; I280-V291 HydrophobicContact CD1-CG1 3.77Å; L283-V291 HydrophobicContact CD1-CG2 4.23Å; L287-V291 WeakPolarHBondContact O-CG2 3.38Å; L287-V291 PolarHBondContact O-N 3.1Å; A288-V291 PolarHBondContact O-N 2.78Å; L289-V291 VanDerWaalsContact C-N 3.35Å; L289-V291 PolarHBondContact O-N 3.2Å
292	L	95.9	Very high	94.8	Very high	2 Å²	2	77.1 Å²	77.1	1%	0.01	38%	0.377	C	S	.	.	H	α-helix	trans	-71.1	-27.4	177.6	-68.7	172.4	0	0	0	113.6	A288 L289 Y290 F294 L295 L300 A303 L313 L319	A288-L292 VanDerWaalsContact O-CG 3.31Å; A288-L292 WeakPolarHBondContact O-CG 3.48Å; A288-L292 PolarHBondContact O-N 3.25Å; A288-L292 VanDerWaalsContact O-N 3.1Å; L289-L292 HydrophobicContact CD2-CD1 4.48Å; L289-L292 CarbonylContact O-C 3.6Å; L289-L292 WeakPolarHBondContact O-CA 3.35Å; L289-L292 PolarHBondContact O-N 2.89Å; L289-L292 VanDerWaalsContact O-N 3.08Å; Y290-L292 VanDerWaalsContact C-N 3.34Å; L292-F294 PolarHBondContact O-N 2.63Å; L292-L295 HydrophobicContact CD2-CD1 3.67Å; L292-L295 WeakPolarHBondContact O-CB 3.48Å; L292-L295 PolarHBondContact O-N 3.26Å; L292-L300 HydrophobicContact CB-CD2 4.02Å; L292-L300 HydrophobicContact CD2-CD2 4.19Å; L292-A303 HydrophobicContact CD2-CB 4.48Å; L292-L313 HydrophobicContact CD1-CB 3.64Å; L292-L313 HydrophobicContact CD1-CD1 4.4Å; L292-L319 HydrophobicContact CB-CD2 4.17Å
293	S	96.5	Very high	95.1	Very high	32 Å²	32	71.7 Å²	71.7	22%	0.224	35%	0.349	C	S	.	.	H	α-helix	trans	-65.5	-20.7	176.5	40.8	0	0	0	0	114.4	L289 Y290 L295	L289-S293 PolarHBondContact O-N 3.18Å; L289-S293 PolarHBondContact O-OG 3.33Å; Y290-S293 WeakPolarHBondContact CA-OG 3.48Å; Y290-S293 PolarHBondContact O-N 2.78Å; Y290-S293 PolarHBondContact O-OG 3.01Å; S293-L295 VanDerWaalsContact C-N 3.26Å; S293-L295 PolarHBondContact O-N 3.47Å
294	F	96.5	Very high	95.3	Very high	143 Å²	143	70.7 Å²	70.7	63%	0.627	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-5.3	171.5	-63.9	-75.1	0	0	0	113.9	Y290 L292	Y290-F294 HydrophobicContact CD1-CE2 4.06Å; Y290-F294 HydrophobicContact CD2-CE2 4.4Å; Y290-F294 AromaticContact CE1-CE2 3.72Å; Y290-F294 HydrophobicContact CE1-CE2 3.72Å; Y290-F294 HydrophobicContact CE1-CZ 4.09Å; Y290-F294 HydrophobicContact CE2-CE2 4.08Å; Y290-F294 HydrophobicContact CE2-CZ 4.08Å; Y290-F294 HydrophobicContact CG-CE2 4.4Å; Y290-F294 AromaticContact CZ-CE2 3.73Å; Y290-F294 AromaticContact CZ-CZ 3.69Å; Y290-F294 WeakPolarHBondContact O-CD2 3.35Å; Y290-F294 VanDerWaalsContact O-CE2 3.28Å; Y290-F294 WeakPolarHBondContact O-CE2 3.19Å; L292-F294 PolarHBondContact O-N 2.63Å
295	L	96.2	Very high	95.2	Very high	55 Å²	55	73.6 Å²	73.6	29%	0.288	35%	0.352	S	S	.	.	S	Bend	trans	-90.7	140.6	178.5	-61	-175.8	0	0	0	111.7	L292 S293 D299 L300 K323	L292-L295 HydrophobicContact CD2-CD1 3.67Å; L292-L295 WeakPolarHBondContact O-CB 3.48Å; L292-L295 PolarHBondContact O-N 3.26Å; S293-L295 VanDerWaalsContact C-N 3.26Å; S293-L295 PolarHBondContact O-N 3.47Å; L295-D299 HydrophobicContact CB-CB 4.39Å; L295-L300 HydrophobicContact CB-CD2 3.97Å; L295-L300 HydrophobicContact CB-CG 4.01Å; L295-L300 HydrophobicContact CD1-CD2 4.26Å; L295-K323 WeakPolarHBondContact O-CE 3.49Å
296	E	95.6	Very high	95.3	Very high	112 Å²	112	71 Å²	71	52%	0.523	35%	0.349	S	S	.	.			trans	-65.2	151.2	170	-73.6	-57	140.5	0	0	111.3	K298 D299 L300	E296-K298 PolarHBondContact O-N 3.04Å; E296-D299 WeakPolarHBondContact O-CA 3.39Å; E296-D299 PolarHBondContact O-N 2.96Å; E296-L300 PolarHBondContact O-N 3.47Å
297	P	96.2	Very high	94.9	Very high	4 Å²	4	65.4 Å²	65.4	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-53.7	-32	179.5	-31	38.9	0	0	0	114.6	L301 W320 K323 Y354	P297-L301 VanDerWaalsContact O-CG 3.26Å; P297-L301 WeakPolarHBondContact O-CG 3.41Å; P297-L301 PolarHBondContact O-N 3.04Å; P297-W320 HydrophobicContact CB-CH2 3.95Å; P297-W320 HydrophobicContact CB-CZ3 3.9Å; P297-K323 HydrophobicContact CG-CB 4.06Å; P297-K323 HydrophobicContact CG-CD 4.17Å; P297-K323 HydrophobicContact CG-CG 4.1Å; P297-Y354 HydrophobicContact CB-CD1 4.38Å; P297-Y354 HydrophobicContact CB-CE1 3.6Å; P297-Y354 HydrophobicContact CB-CE2 3.81Å; P297-Y354 WeakPolarHBondContact CB-OH 3.46Å; P297-Y354 HydrophobicContact CG-CE1 4.35Å; P297-Y354 HydrophobicContact CG-CE2 3.63Å; P297-Y354 WeakPolarHBondContact CG-OH 3.19Å
298	K	94.9	Very high	94.5	Very high	154 Å²	154	70.3 Å²	70.3	67%	0.67	34%	0.339	S	S	*	.	H	α-helix	trans	-59.2	-45.5	172.4	178.7	-172.9	171.8	-166.4	0	111.7	E296 L301 Q302	E296-K298 PolarHBondContact O-N 3.04Å; K298-L301 PolarHBondContact O-N 3.36Å; K298-Q302 PolarHBondContact O-N 3.44Å
299	D	96.3	Very high	94.1	Very high	72 Å²	72	73.6 Å²	73.6	39%	0.385	35%	0.352	S	S	.	.	H	α-helix	trans	-81.1	-30.4	-175.9	-58.4	-36	0	0	0	110.9	L295 E296 L301 Q302 A303	L295-D299 HydrophobicContact CB-CB 4.39Å; E296-D299 WeakPolarHBondContact O-CA 3.39Å; E296-D299 PolarHBondContact O-N 2.96Å; D299-L301 VanDerWaalsContact C-N 3.27Å; D299-L301 PolarHBondContact O-N 3.14Å; D299-Q302 PolarHBondContact O-N 3.02Å; D299-Q302 VanDerWaalsContact O-N 3.15Å; D299-A303 VanDerWaalsContact O-CB 3.22Å; D299-A303 WeakPolarHBondContact O-CB 3.43Å; D299-A303 PolarHBondContact O-N 3.24Å
300	L	96.4	Very high	94	Very high	0 Å²	0	74 Å²	74	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-58.6	-36.5	165.2	-71	177	0	0	0	112.7	L292 L295 E296 A304 L319 W320 K323	L292-L300 HydrophobicContact CB-CD2 4.02Å; L292-L300 HydrophobicContact CD2-CD2 4.19Å; L295-L300 HydrophobicContact CB-CD2 3.97Å; L295-L300 HydrophobicContact CB-CG 4.01Å; L295-L300 HydrophobicContact CD1-CD2 4.26Å; E296-L300 PolarHBondContact O-N 3.47Å; L300-A304 WeakPolarHBondContact O-CB 3.39Å; L300-A304 PolarHBondContact O-N 2.95Å; L300-L319 HydrophobicContact CD1-CD1 4.15Å; L300-L319 HydrophobicContact CD1-CD2 4.15Å; L300-L319 HydrophobicContact CD1-CG 4.14Å; L300-L319 HydrophobicContact CD2-CD2 3.97Å; L300-W320 HydrophobicContact CB-CH2 4.18Å; L300-W320 HydrophobicContact CB-CZ2 3.72Å; L300-W320 HydrophobicContact CD1-CH2 4.46Å; L300-W320 HydrophobicContact CD1-CZ2 4.14Å; L300-K323 HydrophobicContact CD1-CG 4.17Å
301	L	95	Very high	93.8	Very high	53 Å²	53	72.3 Å²	72.3	28%	0.277	34%	0.343	S	S	.	.	H	α-helix	trans	-73	-27.7	175.3	-69.9	169.9	0	0	0	113	P297 K298 D299 Q305 W320 I355	P297-L301 VanDerWaalsContact O-CG 3.26Å; P297-L301 WeakPolarHBondContact O-CG 3.41Å; P297-L301 PolarHBondContact O-N 3.04Å; K298-L301 PolarHBondContact O-N 3.36Å; D299-L301 VanDerWaalsContact C-N 3.27Å; D299-L301 PolarHBondContact O-N 3.14Å; L301-Q305 PolarHBondContact O-NE2 2.92Å; L301-W320 HydrophobicContact CD2-CH2 4.25Å; L301-W320 HydrophobicContact CD2-CZ2 4.29Å; L301-W320 HydrophobicContact CG-CH2 4.09Å; L301-W320 HydrophobicContact CG-CZ2 4.4Å; L301-I355 HydrophobicContact CD2-CD1 4.02Å; L301-I355 HydrophobicContact CD2-CG1 4.42Å
302	Q	95.7	Very high	93.5	Very high	110 Å²	110	74.5 Å²	74.5	51%	0.514	35%	0.351	S	S	.	.	H	α-helix	trans	-77.1	-45.3	170.5	-60.9	-64	4.4	0	0	111.6	K298 D299 A304 Q305	K298-Q302 PolarHBondContact O-N 3.44Å; D299-Q302 PolarHBondContact O-N 3.02Å; D299-Q302 VanDerWaalsContact O-N 3.15Å; Q302-A304 PolarHBondContact O-N 3Å; Q302-Q305 WeakPolarHBondContact O-CB 3.33Å; Q302-Q305 PolarHBondContact O-N 3.42Å
303	A	93.8	Very high	93.4	Very high	7 Å²	7	74.9 Å²	74.9	6%	0.058	35%	0.354	C	S	.	.	H	α-helix	trans	-52	-41.2	172.6	0	0	0	0	0	111.9	L292 D299 Q305 T306 W310	L292-A303 HydrophobicContact CD2-CB 4.48Å; D299-A303 VanDerWaalsContact O-CB 3.22Å; D299-A303 WeakPolarHBondContact O-CB 3.43Å; D299-A303 PolarHBondContact O-N 3.24Å; A303-Q305 PolarHBondContact O-N 3.37Å; A303-Q305 VanDerWaalsContact O-N 3.08Å; A303-T306 WeakPolarHBondContact O-CB 3.45Å; A303-T306 PolarHBondContact O-N 2.86Å; A303-T306 PolarHBondContact O-OG1 2.95Å; A303-W310 HydrophobicContact CB-CE3 3.69Å; A303-W310 HydrophobicContact CB-CZ3 3.86Å; A303-W310 WeakPolarHBondContact O-CB 3.41Å
304	A	94	Very high	93.4	Very high	12 Å²	12	73.4 Å²	73.4	10%	0.099	34%	0.343	C	S	.	.	H	α-helix	trans	-64.6	-8.5	175.9	0	0	0	0	0	115.2	L300 Q302 R311 A314	L300-A304 WeakPolarHBondContact O-CB 3.39Å; L300-A304 PolarHBondContact O-N 2.95Å; Q302-A304 PolarHBondContact O-N 3Å; A304-R311 VanDerWaalsContact O-CB 3.26Å; A304-R311 WeakPolarHBondContact O-CB 3.37Å; A304-R311 WeakPolarHBondContact O-CG 3.28Å; A304-A314 HydrophobicContact CB-CB 3.84Å
305	Q	92.9	Very high	93.3	Very high	142 Å²	142	67.5 Å²	67.5	66%	0.664	32%	0.317	S	S	*	.	H	α-helix	trans	-100.8	-21.2	176.9	-64.5	170.3	78.1	0	0	112.8	L301 Q302 A303 C307	L301-Q305 PolarHBondContact O-NE2 2.92Å; Q302-Q305 WeakPolarHBondContact O-CB 3.33Å; Q302-Q305 PolarHBondContact O-N 3.42Å; A303-Q305 PolarHBondContact O-N 3.37Å; A303-Q305 VanDerWaalsContact O-N 3.08Å; Q305-C307 PolarHBondContact O-N 2.91Å
306	T	91.6	Very high	93.3	Very high	85 Å²	85	67 Å²	67	52%	0.521	32%	0.315	S	S	.	.	H	α-helix	trans	-52.7	-54.3	-176.3	-54.7	0	0	0	0	113.5	A303 W310	A303-T306 WeakPolarHBondContact O-CB 3.45Å; A303-T306 PolarHBondContact O-N 2.86Å; A303-T306 PolarHBondContact O-OG1 2.95Å; T306-W310 HydrophobicContact CG2-CD2 4.14Å; T306-W310 HydrophobicContact CG2-CE3 4.46Å; T306-W310 HydrophobicContact CG2-CG 4.34Å
307	C	87.1	Confident	93.2	Very high	48 Å²	48	64.8 Å²	64.8	32%	0.324	31%	0.307	S	S	.	.			trans	-158.1	174.9	177.9	90	0	0	0	0	111.8	Q305 Y309 W310 R311	Q305-C307 PolarHBondContact O-N 2.91Å; C307-Y309 VanDerWaalsContact C-N 3.33Å; C307-Y309 PolarHBondContact O-N 3.06Å; C307-Y309 PolarHBondContact SG-N 3.39Å; C307-W310 PolarHBondContact SG-N 3.15Å; C307-R311 VanDerWaalsContact O-CB 3.3Å; C307-R311 WeakPolarHBondContact O-CB 3.22Å; C307-R311 PolarHBondContact O-N 2.92Å
308	R	85.6	Confident	93.2	Very high	193 Å²	193	70.2 Å²	70.2	73%	0.728	34%	0.335	S	S	*	.	H	α-helix	trans	-61.6	-34.5	178.9	-76.6	-175.3	172	-163.1	-5.2	114.1	I312	R308-I312 WeakPolarHBondContact O-CD1 3.29Å; R308-I312 WeakPolarHBondContact O-CG1 3.39Å; R308-I312 PolarHBondContact O-N 3.32Å
309	Y	88	Confident	93.3	Very high	70 Å²	70	63.3 Å²	63.3	28%	0.275	31%	0.306	S	S	.	.	H	α-helix	trans	-74.6	-49.1	-179.4	-174.3	-102.9	0	0	0	111	S281 C307 R311 I312 L313	S281-Y309 WeakPolarHBondContact OG-CD1 3.34Å; C307-Y309 VanDerWaalsContact C-N 3.33Å; C307-Y309 PolarHBondContact O-N 3.06Å; C307-Y309 PolarHBondContact SG-N 3.39Å; Y309-R311 VanDerWaalsContact C-N 3.27Å; Y309-R311 PolarHBondContact O-N 3.33Å; Y309-I312 WeakPolarHBondContact O-CB 3.08Å; Y309-I312 PolarHBondContact O-N 3.07Å; Y309-L313 HydrophobicContact CD1-CD1 3.86Å; Y309-L313 HydrophobicContact CD1-CG 4.38Å; Y309-L313 HydrophobicContact CE1-CD1 3.44Å; Y309-L313 VanDerWaalsContact CE1-CD1 3.44Å; Y309-L313 HydrophobicContact CE1-CG 4.08Å; Y309-L313 PolarHBondContact O-N 3.25Å
310	W	93.4	Very high	93.4	Very high	52 Å²	52	59.9 Å²	59.9	20%	0.197	29%	0.287	C	S	.	.	H	α-helix	trans	-55.1	-42	172.1	-78	57	0	0	0	112.4	D278 I280 A303 T306 C307 I312 L313 A314	D278-W310 PolarHBondContact OD1-NE1 2.92Å; D278-W310 VanDerWaalsContact OD2-CD1 3.31Å; D278-W310 PolarHBondContact OD2-NE1 3.42Å; I280-W310 HydrophobicContact CB-CH2 4.4Å; I280-W310 HydrophobicContact CB-CZ2 3.61Å; I280-W310 HydrophobicContact CG1-CH2 3.75Å; I280-W310 HydrophobicContact CG1-CZ2 3.38Å; I280-W310 HydrophobicContact CG2-CD2 4.4Å; I280-W310 HydrophobicContact CG2-CZ2 4.28Å; A303-W310 HydrophobicContact CB-CE3 3.69Å; A303-W310 HydrophobicContact CB-CZ3 3.86Å; A303-W310 WeakPolarHBondContact O-CB 3.41Å; T306-W310 HydrophobicContact CG2-CD2 4.14Å; T306-W310 HydrophobicContact CG2-CE3 4.46Å; T306-W310 HydrophobicContact CG2-CG 4.34Å; C307-W310 PolarHBondContact SG-N 3.15Å; W310-I312 PolarHBondContact O-N 2.85Å; W310-L313 PolarHBondContact O-N 2.74Å; W310-A314 VanDerWaalsContact O-CB 3.32Å; W310-A314 WeakPolarHBondContact O-CB 3.46Å; W310-A314 PolarHBondContact O-N 3.48Å
311	R	91.8	Very high	93.4	Very high	109 Å²	109	66.5 Å²	66.5	41%	0.411	31%	0.312	S	S	.	.	H	α-helix	trans	-59.3	-31.2	174.5	-175.5	173.9	164.1	137	4.3	113.6	A304 C307 Y309 E315 F345	A304-R311 VanDerWaalsContact O-CB 3.26Å; A304-R311 WeakPolarHBondContact O-CB 3.37Å; A304-R311 WeakPolarHBondContact O-CG 3.28Å; C307-R311 VanDerWaalsContact O-CB 3.3Å; C307-R311 WeakPolarHBondContact O-CB 3.22Å; C307-R311 PolarHBondContact O-N 2.92Å; Y309-R311 VanDerWaalsContact C-N 3.27Å; Y309-R311 PolarHBondContact O-N 3.33Å; R311-E315 WeakPolarHBondContact O-CB 3.18Å; R311-F345 HydrophobicContact CG-CE2 3.93Å; R311-F345 HydrophobicContact CG-CZ 3.83Å
312	I	90.8	Very high	93.5	Very high	109 Å²	109	69.4 Å²	69.4	56%	0.559	32%	0.324	S	S	*	.	H	α-helix	trans	-78.7	-42.2	177.4	-68.3	163.9	0	0	0	110.3	R308 Y309 W310 E315 F345	R308-I312 WeakPolarHBondContact O-CD1 3.29Å; R308-I312 WeakPolarHBondContact O-CG1 3.39Å; R308-I312 PolarHBondContact O-N 3.32Å; Y309-I312 WeakPolarHBondContact O-CB 3.08Å; Y309-I312 PolarHBondContact O-N 3.07Å; W310-I312 PolarHBondContact O-N 2.85Å; I312-E315 PolarHBondContact O-N 2.81Å; I312-F345 HydrophobicContact CG1-CE2 4.33Å
313	L	93.6	Very high	93.5	Very high	11 Å²	11	64.8 Å²	64.8	6%	0.058	30%	0.303	C	S	.	.	H	α-helix	trans	-65.5	-46.9	176.7	-66.7	177.5	0	0	0	112.3	I280 A288 L289 L292 Y309 W310 E315 D316	I280-L313 HydrophobicContact CG2-CD1 3.58Å; A288-L313 HydrophobicContact CB-CD1 3.82Å; L289-L313 HydrophobicContact CD2-CB 4.26Å; L289-L313 HydrophobicContact CD2-CD2 4.2Å; L289-L313 WeakPolarHBondContact CD2-O 3.39Å; L289-L313 HydrophobicContact CG-CD2 4.31Å; L292-L313 HydrophobicContact CD1-CB 3.64Å; L292-L313 HydrophobicContact CD1-CD1 4.4Å; Y309-L313 HydrophobicContact CD1-CD1 3.86Å; Y309-L313 HydrophobicContact CD1-CG 4.38Å; Y309-L313 HydrophobicContact CE1-CD1 3.44Å; Y309-L313 VanDerWaalsContact CE1-CD1 3.44Å; Y309-L313 HydrophobicContact CE1-CG 4.08Å; Y309-L313 PolarHBondContact O-N 3.25Å; W310-L313 PolarHBondContact O-N 2.74Å; L313-E315 PolarHBondContact O-N 2.84Å; L313-D316 WeakPolarHBondContact O-CB 3.46Å; L313-D316 PolarHBondContact O-N 3.26Å
314	A	95.6	Very high	93.6	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	11.7	177.2	0	0	0	0	0	113.7	A304 W310 W320 K351	A304-A314 HydrophobicContact CB-CB 3.84Å; W310-A314 VanDerWaalsContact O-CB 3.32Å; W310-A314 WeakPolarHBondContact O-CB 3.46Å; W310-A314 PolarHBondContact O-N 3.48Å; A314-W320 PolarHBondContact O-NE1 3.4Å; A314-K351 PolarHBondContact O-NZ 2.83Å
315	E	94.8	Very high	93.6	Very high	19 Å²	19	71.6 Å²	71.6	9%	0.089	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	5.9	167.8	-156.8	76.5	-162	0	0	111.5	R311 I312 L313 F345 H347 S348 K351	R311-E315 WeakPolarHBondContact O-CB 3.18Å; I312-E315 PolarHBondContact O-N 2.81Å; L313-E315 PolarHBondContact O-N 2.84Å; E315-F345 HydrophobicContact CB-CZ 4.06Å; E315-F345 HydrophobicContact CG-CE1 3.76Å; E315-F345 HydrophobicContact CG-CZ 3.72Å; E315-H347 WeakPolarHBondContact OE1-CA 3.37Å; E315-H347 IonicContact OE1-CE1 3.77Å; E315-H347 IonicContact OE1-CG 3.58Å; E315-H347 IonicContact OE1-ND1 2.75Å; E315-H347 PolarHBondContact OE1-ND1 3.33Å; E315-S348 WeakPolarHBondContact O-CB 3.5Å; E315-S348 PolarHBondContact OE1-N 2.78Å; E315-K351 WeakPolarHBondContact OE2-CD 3.5Å; E315-K351 WeakPolarHBondContact OE2-CE 3.45Å; E315-K351 IonicContact OE2-NZ 2.68Å; E315-K351 PolarHBondContact OE2-NZ 3.26Å
316	D	95.8	Very high	93.6	Very high	46 Å²	46	69.9 Å²	69.9	25%	0.246	32%	0.32	C	S	.	.			trans	-58.8	139.4	-176.7	178	65.4	0	0	0	113.5	L289 L313 L318 L319 W320	L289-D316 HydrophobicContact CD1-CB 4.48Å; L289-D316 HydrophobicContact CD2-CB 3.67Å; L313-D316 WeakPolarHBondContact O-CB 3.46Å; L313-D316 PolarHBondContact O-N 3.26Å; D316-L318 WeakPolarHBondContact OD2-CA 3.26Å; D316-L318 PolarHBondContact OD2-N 2.9Å; D316-L319 HydrophobicContact CB-CB 4.06Å; D316-L319 PolarHBondContact OD2-N 3.24Å; D316-W320 VanDerWaalsContact O-CD1 3.23Å; D316-W320 PolarHBondContact O-N 3.06Å
317	N	95.1	Very high	93.6	Very high	65 Å²	65	69 Å²	69	35%	0.348	31%	0.311	S	S	.	.	H	α-helix	trans	-80.9	-22.4	-169.5	-163.9	66.3	0	0	0	114.3	R321 S348 P349	N317-R321 WeakPolarHBondContact O-CB 3.43Å; N317-R321 PolarHBondContact O-N 2.85Å; N317-S348 PolarHBondContact OD1-OG 2.94Å; N317-P349 WeakPolarHBondContact OD1-CD 3.43Å
318	L	95.8	Very high	93.8	Very high	118 Å²	118	69.2 Å²	69.2	62%	0.618	32%	0.321	S	S	*	.	H	α-helix	trans	-87.4	-42.4	177.7	-64.4	178.1	0	0	0	110.5	D316 W320 R321 E322	D316-L318 WeakPolarHBondContact OD2-CA 3.26Å; D316-L318 PolarHBondContact OD2-N 2.9Å; L318-W320 VanDerWaalsContact C-N 3.34Å; L318-W320 PolarHBondContact O-N 3.47Å; L318-R321 WeakPolarHBondContact O-CB 3.49Å; L318-R321 PolarHBondContact O-N 3Å; L318-E322 PolarHBondContact O-N 2.69Å
319	L	96.4	Very high	94.2	Very high	9 Å²	9	61.1 Å²	61.1	5%	0.047	29%	0.292	C	S	.	.	H	α-helix	trans	-51	-51.5	170.2	175.3	61.7	0	0	0	111.5	L292 L300 D316 R321 E322 K323	L292-L319 HydrophobicContact CB-CD2 4.17Å; L300-L319 HydrophobicContact CD1-CD1 4.15Å; L300-L319 HydrophobicContact CD1-CD2 4.15Å; L300-L319 HydrophobicContact CD1-CG 4.14Å; L300-L319 HydrophobicContact CD2-CD2 3.97Å; D316-L319 HydrophobicContact CB-CB 4.06Å; D316-L319 PolarHBondContact OD2-N 3.24Å; L319-R321 VanDerWaalsContact C-N 3.34Å; L319-R321 PolarHBondContact O-N 3.08Å; L319-E322 PolarHBondContact O-N 3.13Å; L319-K323 PolarHBondContact O-N 3.21Å; L319-K323 VanDerWaalsContact O-N 3.1Å
320	W	97.6	Very high	94.4	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-73	-22.6	178.5	-77.3	101.5	0	0	0	114	P297 L300 L301 A314 D316 L318 K323 C324 W350 K351 Y354	P297-W320 HydrophobicContact CB-CH2 3.95Å; P297-W320 HydrophobicContact CB-CZ3 3.9Å; L300-W320 HydrophobicContact CB-CH2 4.18Å; L300-W320 HydrophobicContact CB-CZ2 3.72Å; L300-W320 HydrophobicContact CD1-CH2 4.46Å; L300-W320 HydrophobicContact CD1-CZ2 4.14Å; L301-W320 HydrophobicContact CD2-CH2 4.25Å; L301-W320 HydrophobicContact CD2-CZ2 4.29Å; L301-W320 HydrophobicContact CG-CH2 4.09Å; L301-W320 HydrophobicContact CG-CZ2 4.4Å; A314-W320 PolarHBondContact O-NE1 3.4Å; D316-W320 VanDerWaalsContact O-CD1 3.23Å; D316-W320 PolarHBondContact O-N 3.06Å; L318-W320 VanDerWaalsContact C-N 3.34Å; L318-W320 PolarHBondContact O-N 3.47Å; W320-K323 HydrophobicContact CE3-CB 4.29Å; W320-C324 VanDerWaalsContact O-CB 3.31Å; W320-C324 WeakPolarHBondContact O-CB 3.26Å; W320-C324 PolarHBondContact O-N 2.77Å; W320-C324 PolarHBondContact O-SG 3.06Å; W320-C324 VanDerWaalsContact O-SG 3.42Å; W320-W350 HydrophobicContact CB-CB 3.88Å; W320-K351 HydrophobicContact CB-CB 4.04Å; W320-K351 HydrophobicContact CD2-CB 3.72Å; W320-K351 HydrophobicContact CD2-CD 4.21Å; W320-K351 HydrophobicContact CD2-CG 3.64Å; W320-K351 HydrophobicContact CE3-CB 4.28Å; W320-K351 HydrophobicContact CE3-CG 4.12Å; W320-K351 HydrophobicContact CG-CB 3.56Å; W320-K351 HydrophobicContact CG-CD 4.37Å; W320-K351 HydrophobicContact CG-CG 3.98Å; W320-K351 HydrophobicContact CH2-CG 4.44Å; W320-K351 HydrophobicContact CZ2-CD 4.11Å; W320-K351 HydrophobicContact CZ2-CG 3.99Å; W320-K351 HydrophobicContact CZ3-CG 4.49Å; W320-Y354 HydrophobicContact CE3-CD1 4.47Å; W320-Y354 HydrophobicContact CE3-CD2 4.38Å; W320-Y354 HydrophobicContact CE3-CG 4.01Å; W320-Y354 HydrophobicContact CH2-CD1 4.45Å; W320-Y354 AromaticContact CZ3-CD1 3.65Å; W320-Y354 HydrophobicContact CZ3-CD1 3.65Å; W320-Y354 HydrophobicContact CZ3-CD2 4.06Å; W320-Y354 HydrophobicContact CZ3-CE1 4.24Å; W320-Y354 AromaticContact CZ3-CG 3.6Å; W320-Y354 HydrophobicContact CZ3-CG 3.6Å
321	R	97.1	Very high	94.3	Very high	139 Å²	139	68.6 Å²	68.6	53%	0.525	34%	0.335	S	S	.	.	H	α-helix	trans	-67.9	-41	170.7	-177.8	178.7	-177.3	-152.3	0.7	111.5	N317 L318 L319 C324 K325 W350	N317-R321 WeakPolarHBondContact O-CB 3.43Å; N317-R321 PolarHBondContact O-N 2.85Å; L318-R321 WeakPolarHBondContact O-CB 3.49Å; L318-R321 PolarHBondContact O-N 3Å; L319-R321 VanDerWaalsContact C-N 3.34Å; L319-R321 PolarHBondContact O-N 3.08Å; R321-C324 PolarHBondContact O-N 2.71Å; R321-K325 PolarHBondContact O-N 3.06Å; R321-W350 HydrophobicContact CB-CD2 3.89Å; R321-W350 HydrophobicContact CB-CG 3.83Å; R321-W350 HydrophobicContact CG-CD2 3.93Å; R321-W350 HydrophobicContact CG-CE3 4.39Å; R321-W350 HydrophobicContact CG-CG 4.4Å; R321-W350 HydrophobicContact CG-CH2 4.22Å; R321-W350 HydrophobicContact CG-CZ2 3.77Å
322	E	96.3	Very high	94.4	Very high	114 Å²	114	65 Å²	65	53%	0.533	33%	0.326	S	S	.	.	H	α-helix	trans	-65.1	-47.6	176.3	-170.2	155	-125.8	0	0	110.9	L318 L319 C324 K325 E326	L318-E322 PolarHBondContact O-N 2.69Å; L319-E322 PolarHBondContact O-N 3.13Å; E322-C324 VanDerWaalsContact C-N 3.29Å; E322-C324 PolarHBondContact O-N 2.81Å; E322-K325 WeakPolarHBondContact O-CA 3.33Å; E322-K325 WeakPolarHBondContact O-CB 3.45Å; E322-K325 PolarHBondContact O-N 2.79Å; E322-E326 PolarHBondContact O-N 3.33Å
323	K	96.3	Very high	94.4	Very high	13 Å²	13	62.1 Å²	62.1	6%	0.057	31%	0.311	C	S	.	.	H	α-helix	trans	-64	-27.3	173.6	-63.1	-47.2	-173.2	-174.1	0	114.5	L295 P297 L300 L319 W320 E326	L295-K323 WeakPolarHBondContact O-CE 3.49Å; P297-K323 HydrophobicContact CG-CB 4.06Å; P297-K323 HydrophobicContact CG-CD 4.17Å; P297-K323 HydrophobicContact CG-CG 4.1Å; L300-K323 HydrophobicContact CD1-CG 4.17Å; L319-K323 PolarHBondContact O-N 3.21Å; L319-K323 VanDerWaalsContact O-N 3.1Å; W320-K323 HydrophobicContact CE3-CB 4.29Å; K323-E326 VanDerWaalsContact CD-CD 3.47Å; K323-E326 WeakPolarHBondContact CD-OE1 3.38Å; K323-E326 WeakPolarHBondContact CD-OE2 3.24Å; K323-E326 WeakPolarHBondContact CE-OE2 3.31Å; K323-E326 IonicContact NZ-OE1 3.86Å; K323-E326 PolarHBondContact NZ-OE1 3.18Å; K323-E326 IonicContact NZ-OE2 2.79Å; K323-E326 PolarHBondContact NZ-OE2 3.34Å
324	C	96.2	Very high	94	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-69.5	-42.6	167.4	-87.3	0	0	0	0	112.2	W320 R321 E322 E327 G328 I329 W350	W320-C324 VanDerWaalsContact O-CB 3.31Å; W320-C324 WeakPolarHBondContact O-CB 3.26Å; W320-C324 PolarHBondContact O-N 2.77Å; W320-C324 PolarHBondContact O-SG 3.06Å; W320-C324 VanDerWaalsContact O-SG 3.42Å; R321-C324 PolarHBondContact O-N 2.71Å; E322-C324 VanDerWaalsContact C-N 3.29Å; E322-C324 PolarHBondContact O-N 2.81Å; C324-E327 CarbonylContact O-C 3.58Å; C324-E327 WeakPolarHBondContact O-CA 3.5Å; C324-E327 PolarHBondContact O-N 3.47Å; C324-E327 VanDerWaalsContact O-N 3.13Å; C324-G328 PolarHBondContact O-N 3.16Å; C324-G328 VanDerWaalsContact O-N 3.08Å; C324-I329 HydrophobicContact CB-CB 3.94Å; C324-I329 HydrophobicContact CB-CG2 4.33Å; C324-I329 WeakPolarHBondContact O-CB 3.49Å; C324-I329 PolarHBondContact O-N 2.88Å; C324-W350 HydrophobicContact CB-CE3 3.65Å; C324-W350 HydrophobicContact CB-CZ3 4.2Å; C324-W350 PolarHBondContact SG-O 3.02Å
325	K	94.6	Very high	93.2	Very high	161 Å²	161	72.2 Å²	72.2	70%	0.7	36%	0.36	S	S	*	.	H	α-helix	trans	-66.6	-38.5	179.5	-168.3	-170.2	175.6	-164.4	0	112.6	R321 E322 E327 G328	R321-K325 PolarHBondContact O-N 3.06Å; E322-K325 WeakPolarHBondContact O-CA 3.33Å; E322-K325 WeakPolarHBondContact O-CB 3.45Å; E322-K325 PolarHBondContact O-N 2.79Å; K325-E327 PolarHBondContact O-N 2.65Å; K325-G328 PolarHBondContact O-N 2.97Å
326	E	92.8	Very high	91.9	Very high	106 Å²	106	80.8 Å²	80.8	50%	0.495	40%	0.397	S	S	.	.	H	α-helix	trans	-55.3	-38.1	170.3	-71.9	171.5	-163.8	0	0	111.6	E322 K323	E322-E326 PolarHBondContact O-N 3.33Å; K323-E326 VanDerWaalsContact CD-CD 3.47Å; K323-E326 WeakPolarHBondContact CD-OE1 3.38Å; K323-E326 WeakPolarHBondContact CD-OE2 3.24Å; K323-E326 WeakPolarHBondContact CE-OE2 3.31Å; K323-E326 IonicContact NZ-OE1 3.86Å; K323-E326 PolarHBondContact NZ-OE1 3.18Å; K323-E326 IonicContact NZ-OE2 2.79Å; K323-E326 PolarHBondContact NZ-OE2 3.34Å
327	E	90.9	Very high	90.2	Very high	68 Å²	68	86.5 Å²	86.5	32%	0.318	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	5.9	175.4	-73.6	-65.4	155.9	0	0	114.4	C324 K325 I329 Y354 K633	C324-E327 CarbonylContact O-C 3.58Å; C324-E327 WeakPolarHBondContact O-CA 3.5Å; C324-E327 PolarHBondContact O-N 3.47Å; C324-E327 VanDerWaalsContact O-N 3.13Å; K325-E327 PolarHBondContact O-N 2.65Å; E327-I329 VanDerWaalsContact C-N 3.29Å; E327-I329 HydrophobicContact CB-CD1 4.02Å; E327-I329 HydrophobicContact CB-CG1 4.1Å; E327-I329 PolarHBondContact O-N 2.89Å; E327-Y354 HydrophobicContact CB-CE2 4.44Å; E327-Y354 HydrophobicContact CG-CD2 4.36Å; E327-Y354 HydrophobicContact CG-CE2 3.62Å; E327-K633 VanDerWaalsContact C-NZ 3.3Å; E327-K633 PolarHBondContact O-NZ 3.46Å; E327-K633 IonicContact OE2-NZ 2.63Å; E327-K633 PolarHBondContact OE2-NZ 2.81Å
328	G	91.1	Very high	88.1	Confident	52 Å²	52	94.9 Å²	94.9	54%	0.536	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.9	34.5	-178.3	0	0	0	0	0	113.7	C324 K325	C324-G328 PolarHBondContact O-N 3.16Å; C324-G328 VanDerWaalsContact O-N 3.08Å; K325-G328 PolarHBondContact O-N 2.97Å
329	I	94	Very high	85.9	Confident	23 Å²	23	98.4 Å²	98.4	12%	0.118	45%	0.452	C	S	.	.			trans	-99.8	96.7	173.9	-56.7	172	0	0	0	107.4	C324 E327 W350 A353 Y354 Q357	C324-I329 HydrophobicContact CB-CB 3.94Å; C324-I329 HydrophobicContact CB-CG2 4.33Å; C324-I329 WeakPolarHBondContact O-CB 3.49Å; C324-I329 PolarHBondContact O-N 2.88Å; E327-I329 VanDerWaalsContact C-N 3.29Å; E327-I329 HydrophobicContact CB-CD1 4.02Å; E327-I329 HydrophobicContact CB-CG1 4.1Å; E327-I329 PolarHBondContact O-N 2.89Å; I329-W350 WeakPolarHBondContact O-CZ3 3.32Å; I329-A353 HydrophobicContact CG2-CB 3.95Å; I329-Y354 HydrophobicContact CD1-CD2 4.49Å; I329-Q357 HydrophobicContact CD1-CB 3.63Å; I329-Q357 HydrophobicContact CD1-CG 4.03Å; I329-Q357 HydrophobicContact CG1-CB 4.43Å; I329-Q357 HydrophobicContact CG1-CG 4.44Å
330	D	92.4	Very high	83.7	Confident	127 Å²	127	102.7 Å²	102.7	68%	0.679	48%	0.478	S	S	*	.			trans	-83.5	-15.1	-173.1	-61.4	-59.2	0	0	0	114.6	W350	D330-W350 VanDerWaalsContact O-CH2 3.26Å; D330-W350 WeakPolarHBondContact O-CH2 3.34Å
331	E	91.9	Very high	81.7	Confident	151 Å²	151	110.1 Å²	110.1	71%	0.706	52%	0.516	S	S	*	.	S	Bend	trans	-121.9	131	-172	-77	-64.6	154.7	0	0	114.3
332	P	93.3	Very high	79.7	Confident	33 Å²	33	111.8 Å²	111.8	21%	0.214	53%	0.527	C	S	.	.			trans	-81.5	136.2	-179.2	28.7	-32.2	0	0	0	114.8	H334 P349 W350	P332-H334 PolarHBondContact O-N 2.72Å; P332-H334 PolarHBondContact O-ND1 3.12Å; P332-H334 VanDerWaalsContact O-ND1 3.08Å; P332-P349 HydrophobicContact CB-CB 3.71Å; P332-W350 HydrophobicContact CB-CD2 3.89Å; P332-W350 HydrophobicContact CB-CE3 4.19Å; P332-W350 HydrophobicContact CB-CG 4.35Å; P332-W350 HydrophobicContact CB-CH2 4.41Å; P332-W350 HydrophobicContact CB-CZ2 4.1Å; P332-W350 HydrophobicContact CB-CZ3 4.44Å; P332-W350 HydrophobicContact CG-CH2 4.28Å; P332-W350 HydrophobicContact CG-CZ2 3.98Å
333	L	90.2	Very high	77.5	Confident	49 Å²	49	112.2 Å²	112.2	26%	0.257	54%	0.54	S	S	.	.			trans	-87.2	109.5	-176.2	-176.3	65.9	0	0	0	113	I335 P349 S352 A353 R356 M705	L333-I335 HydrophobicContact CD2-CG1 4.24Å; L333-I335 HydrophobicContact CG-CG1 4.17Å; L333-I335 PolarHBondContact O-N 2.77Å; L333-P349 PolarHBondContact N-O 2.72Å; L333-P349 WeakPolarHBondContact O-CA 3.01Å; L333-S352 WeakPolarHBondContact CD2-O 3.45Å; L333-A353 HydrophobicContact CB-CB 3.88Å; L333-R356 HydrophobicContact CD2-CB 3.9Å; L333-R356 HydrophobicContact CD2-CG 4.43Å; L333-M705 HydrophobicContact CD2-CE 3.89Å; L333-M705 HydrophobicContact CD2-CG 4.41Å
334	H	85.6	Confident	76	Confident	141 Å²	141	114.9 Å²	114.9	65%	0.653	57%	0.572	S	S	*	*			trans	-92	88.7	-179.3	-71.1	86.5	0	0	0	112.9	P332 K336	P332-H334 PolarHBondContact O-N 2.72Å; P332-H334 PolarHBondContact O-ND1 3.12Å; P332-H334 VanDerWaalsContact O-ND1 3.08Å; H334-K336 PolarHBondContact O-N 3.07Å
335	I	79.3	Confident	74.8	Confident	83 Å²	83	117.4 Å²	117.4	43%	0.426	58%	0.582	S	S	.	*			trans	-72.6	116	-179.6	-53	177.6	0	0	0	111.4	L333 R337 M705	L333-I335 HydrophobicContact CD2-CG1 4.24Å; L333-I335 HydrophobicContact CG-CG1 4.17Å; L333-I335 PolarHBondContact O-N 2.77Å; I335-R337 PolarHBondContact O-N 2.68Å; I335-M705 HydrophobicContact CD1-CE 3.94Å
336	K	67.8	Low	74.1	Confident	198 Å²	198	116.4 Å²	116.4	86%	0.861	58%	0.583	S	S	*	*			trans	-73.4	103.4	172.7	-71.8	-178	177.8	177	0	110.8	H334 R338	H334-K336 PolarHBondContact O-N 3.07Å; K336-R338 PolarHBondContact O-N 3.43Å
337	R	60.6	Low	73.8	Confident	167 Å²	167	116.1 Å²	116.1	63%	0.63	58%	0.582	S	S	*	*			trans	-50.5	119.1	-178.8	-72.2	176.7	168.1	167.4	-4.4	113.4	I335 F345	I335-R337 PolarHBondContact O-N 2.68Å; R337-F345 PolarHBondContact NH2-O 2.8Å
338	R	50.6	Low	73.9	Confident	240 Å²	240	113.1 Å²	113.1	91%	0.906	57%	0.568	S	S	*	*			trans	-100.7	105.6	161.2	-93.3	-175.8	165.9	177.9	-3.3	110.7	K336	K336-R338 PolarHBondContact O-N 3.43Å
339	K	49.8	Very low	74	Confident	193 Å²	193	112.1 Å²	112.1	84%	0.839	55%	0.553	S	S	*	*			trans	60.3	119.8	177.9	-63.4	-174.2	176.4	-179.1	0	115.6	I341	K339-I341 PolarHBondContact O-N 2.84Å
340	V	49.4	Very low	74.1	Confident	98 Å²	98	112.5 Å²	112.5	59%	0.594	55%	0.553	S	S	*	*			trans	-80.6	104	180	178.6	0	0	0	0	110.1	K342	V340-K342 WeakPolarHBondContact CG1-O 3.49Å
341	I	54.8	Low	74.3	Confident	156 Å²	156	107 Å²	107	80%	0.8	52%	0.522	S	S	*	.	S	Bend	trans	-81.9	-24.2	-179.8	-64.9	176.6	0	0	0	112.5	K339	K339-I341 PolarHBondContact O-N 2.84Å
342	K	55.1	Low	74.3	Confident	174 Å²	174	100.4 Å²	100.4	76%	0.757	49%	0.493	S	S	*	.	S	Bend	trans	-141.7	144.1	174.4	-65.7	-175.6	-177.9	171.7	0	110.8	V340	V340-K342 WeakPolarHBondContact CG1-O 3.49Å
343	P	51.7	Low	74.4	Confident	124 Å²	124	99.2 Å²	99.2	81%	0.805	49%	0.486	S	S	*	.	S	Bend	trans	-69.8	146.9	-171.4	27.4	-35.6	0	0	0	113.7	F345	P343-F345 VanDerWaalsContact C-N 3.33Å; P343-F345 PolarHBondContact O-N 3.06Å
344	G	63.3	Low	74.7	Confident	69 Å²	69	98 Å²	98	71%	0.711	48%	0.478	S	S	*	.	S	Bend	trans	77.4	-17	153	0	0	0	0	0	119.2	I346	G344-I346 PolarHBondContact O-N 2.83Å
345	F	72.1	Confident	75.1	Confident	52 Å²	52	93.3 Å²	93.3	23%	0.228	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-68.8	119.6	-175.9	-158.9	-100.9	0	0	0	111.7	R311 I312 E315 R337 P343 H347	R311-F345 HydrophobicContact CG-CE2 3.93Å; R311-F345 HydrophobicContact CG-CZ 3.83Å; I312-F345 HydrophobicContact CG1-CE2 4.33Å; E315-F345 HydrophobicContact CB-CZ 4.06Å; E315-F345 HydrophobicContact CG-CE1 3.76Å; E315-F345 HydrophobicContact CG-CZ 3.72Å; R337-F345 PolarHBondContact NH2-O 2.8Å; P343-F345 VanDerWaalsContact C-N 3.33Å; P343-F345 PolarHBondContact O-N 3.06Å; F345-H347 AromaticContact CD1-CD2 3.97Å; F345-H347 AromaticContact CD1-CE1 3.55Å; F345-H347 AromaticContact CD1-ND1 3.83Å; F345-H347 AromaticContact CD1-NE2 3.61Å; F345-H347 AromaticContact CE1-CE1 3.5Å; F345-H347 AromaticContact CE1-ND1 3.58Å
346	I	79.8	Confident	75.9	Confident	140 Å²	140	92.3 Å²	92.3	72%	0.718	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-91.3	122.1	173.4	-59	174	0	0	0	106.7	G344	G344-I346 PolarHBondContact O-N 2.83Å
347	H	86.8	Confident	77.2	Confident	101 Å²	101	84.4 Å²	84.4	47%	0.468	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-91.2	142.5	174	-80.7	-69.4	0	0	0	110	E315 F345 P349	E315-H347 WeakPolarHBondContact OE1-CA 3.37Å; E315-H347 IonicContact OE1-CE1 3.77Å; E315-H347 IonicContact OE1-CG 3.58Å; E315-H347 IonicContact OE1-ND1 2.75Å; E315-H347 PolarHBondContact OE1-ND1 3.33Å; F345-H347 AromaticContact CD1-CD2 3.97Å; F345-H347 AromaticContact CD1-CE1 3.55Å; F345-H347 AromaticContact CD1-ND1 3.83Å; F345-H347 AromaticContact CD1-NE2 3.61Å; F345-H347 AromaticContact CE1-CE1 3.5Å; F345-H347 AromaticContact CE1-ND1 3.58Å; H347-P349 WeakPolarHBondContact O-CD 3.16Å
348	S	92.1	Very high	78.8	Confident	4 Å²	4	81 Å²	81	3%	0.028	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-72.9	128.8	170.3	168.4	0	0	0	0	110.4	E315 N317 W350 K351 S352	E315-S348 WeakPolarHBondContact O-CB 3.5Å; E315-S348 PolarHBondContact OE1-N 2.78Å; N317-S348 PolarHBondContact OD1-OG 2.94Å; S348-W350 VanDerWaalsContact C-N 3.26Å; S348-W350 PolarHBondContact O-N 3.23Å; S348-W350 PolarHBondContact OG-N 2.89Å; S348-W350 VanDerWaalsContact OG-N 3.16Å; S348-K351 PolarHBondContact O-N 3.33Å; S348-K351 PolarHBondContact OG-N 2.9Å; S348-S352 WeakPolarHBondContact O-CB 3.41Å; S348-S352 PolarHBondContact O-N 2.88Å; S348-S352 PolarHBondContact O-OG 3.27Å
349	P	93.9	Very high	81	Confident	32 Å²	32	75.3 Å²	75.3	21%	0.208	38%	0.384	C	S	.	.	H	α-helix	trans	-59.8	-33.2	169.3	-29.2	39.2	0	0	0	113.7	N317 P332 L333 H347 S352 A353	N317-P349 WeakPolarHBondContact OD1-CD 3.43Å; P332-P349 HydrophobicContact CB-CB 3.71Å; L333-P349 PolarHBondContact N-O 2.72Å; L333-P349 WeakPolarHBondContact O-CA 3.01Å; H347-P349 WeakPolarHBondContact O-CD 3.16Å; P349-S352 WeakPolarHBondContact O-CB 3.48Å; P349-S352 PolarHBondContact O-N 2.86Å; P349-A353 PolarHBondContact O-N 2.93Å
350	W	96.5	Very high	83.2	Confident	31 Å²	31	66.1 Å²	66.1	12%	0.117	34%	0.344	C	S	.	.	H	α-helix	trans	-69.4	-47.1	175.2	-64.5	107.3	0	0	0	111.6	W320 R321 C324 I329 D330 P332 S348 S352 A353 Y354	W320-W350 HydrophobicContact CB-CB 3.88Å; R321-W350 HydrophobicContact CB-CD2 3.89Å; R321-W350 HydrophobicContact CB-CG 3.83Å; R321-W350 HydrophobicContact CG-CD2 3.93Å; R321-W350 HydrophobicContact CG-CE3 4.39Å; R321-W350 HydrophobicContact CG-CG 4.4Å; R321-W350 HydrophobicContact CG-CH2 4.22Å; R321-W350 HydrophobicContact CG-CZ2 3.77Å; C324-W350 HydrophobicContact CB-CE3 3.65Å; C324-W350 HydrophobicContact CB-CZ3 4.2Å; C324-W350 PolarHBondContact SG-O 3.02Å; I329-W350 WeakPolarHBondContact O-CZ3 3.32Å; D330-W350 VanDerWaalsContact O-CH2 3.26Å; D330-W350 WeakPolarHBondContact O-CH2 3.34Å; P332-W350 HydrophobicContact CB-CD2 3.89Å; P332-W350 HydrophobicContact CB-CE3 4.19Å; P332-W350 HydrophobicContact CB-CG 4.35Å; P332-W350 HydrophobicContact CB-CH2 4.41Å; P332-W350 HydrophobicContact CB-CZ2 4.1Å; P332-W350 HydrophobicContact CB-CZ3 4.44Å; P332-W350 HydrophobicContact CG-CH2 4.28Å; P332-W350 HydrophobicContact CG-CZ2 3.98Å; S348-W350 VanDerWaalsContact C-N 3.26Å; S348-W350 PolarHBondContact O-N 3.23Å; S348-W350 PolarHBondContact OG-N 2.89Å; S348-W350 VanDerWaalsContact OG-N 3.16Å; W350-S352 PolarHBondContact O-N 2.86Å; W350-A353 WeakPolarHBondContact O-CA 3.48Å; W350-A353 WeakPolarHBondContact O-CB 3.41Å; W350-A353 PolarHBondContact O-N 3.06Å; W350-Y354 PolarHBondContact O-N 2.87Å
351	K	95.3	Very high	85.4	Confident	10 Å²	10	62.2 Å²	62.2	4%	0.043	32%	0.32	C	S	.	.	H	α-helix	trans	-56.7	-38.5	172.8	-169.7	175.7	-168.6	172	0	111.9	A314 E315 W320 S348 I355	A314-K351 PolarHBondContact O-NZ 2.83Å; E315-K351 WeakPolarHBondContact OE2-CD 3.5Å; E315-K351 WeakPolarHBondContact OE2-CE 3.45Å; E315-K351 IonicContact OE2-NZ 2.68Å; E315-K351 PolarHBondContact OE2-NZ 3.26Å; W320-K351 HydrophobicContact CB-CB 4.04Å; W320-K351 HydrophobicContact CD2-CB 3.72Å; W320-K351 HydrophobicContact CD2-CD 4.21Å; W320-K351 HydrophobicContact CD2-CG 3.64Å; W320-K351 HydrophobicContact CE3-CB 4.28Å; W320-K351 HydrophobicContact CE3-CG 4.12Å; W320-K351 HydrophobicContact CG-CB 3.56Å; W320-K351 HydrophobicContact CG-CD 4.37Å; W320-K351 HydrophobicContact CG-CG 3.98Å; W320-K351 HydrophobicContact CH2-CG 4.44Å; W320-K351 HydrophobicContact CZ2-CD 4.11Å; W320-K351 HydrophobicContact CZ2-CG 3.99Å; W320-K351 HydrophobicContact CZ3-CG 4.49Å; S348-K351 PolarHBondContact O-N 3.33Å; S348-K351 PolarHBondContact OG-N 2.9Å; K351-I355 HydrophobicContact CG-CD1 3.87Å; K351-I355 HydrophobicContact CG-CG1 4.49Å; K351-I355 WeakPolarHBondContact O-CB 3.35Å; K351-I355 VanDerWaalsContact O-CG1 3.24Å; K351-I355 WeakPolarHBondContact O-CG1 3.48Å; K351-I355 PolarHBondContact O-N 2.74Å
352	S	93.4	Very high	87.4	Confident	13 Å²	13	56.6 Å²	56.6	9%	0.091	29%	0.293	C	S	.	.	H	α-helix	trans	-65.7	-39	176.3	-57.4	0	0	0	0	112.2	L333 S348 P349 W350 R356	L333-S352 WeakPolarHBondContact CD2-O 3.45Å; S348-S352 WeakPolarHBondContact O-CB 3.41Å; S348-S352 PolarHBondContact O-N 2.88Å; S348-S352 PolarHBondContact O-OG 3.27Å; P349-S352 WeakPolarHBondContact O-CB 3.48Å; P349-S352 PolarHBondContact O-N 2.86Å; W350-S352 PolarHBondContact O-N 2.86Å; S352-R356 WeakPolarHBondContact O-CB 3.48Å; S352-R356 PolarHBondContact O-N 3.19Å
353	A	94.9	Very high	89.4	Confident	9 Å²	9	49.6 Å²	49.6	7%	0.074	26%	0.264	C	S	.	.	H	α-helix	trans	-67	-48.7	174.4	0	0	0	0	0	111.8	I329 L333 P349 W350 I355 R356 Q357	I329-A353 HydrophobicContact CG2-CB 3.95Å; L333-A353 HydrophobicContact CB-CB 3.88Å; P349-A353 PolarHBondContact O-N 2.93Å; W350-A353 WeakPolarHBondContact O-CA 3.48Å; W350-A353 WeakPolarHBondContact O-CB 3.41Å; W350-A353 PolarHBondContact O-N 3.06Å; A353-I355 PolarHBondContact O-N 2.59Å; A353-R356 PolarHBondContact O-N 3.15Å; A353-R356 VanDerWaalsContact O-N 3.14Å; A353-Q357 PolarHBondContact O-N 2.61Å
354	Y	95.8	Very high	91.7	Very high	23 Å²	23	44.1 Å²	44.1	9%	0.09	23%	0.228	C	C	.	.	H	α-helix	trans	-54.8	-51.3	175.3	-172	-76.8	0	0	0	111.5	P297 W320 E327 I329 W350 R356 Q357 H358	P297-Y354 HydrophobicContact CB-CD1 4.38Å; P297-Y354 HydrophobicContact CB-CE1 3.6Å; P297-Y354 HydrophobicContact CB-CE2 3.81Å; P297-Y354 WeakPolarHBondContact CB-OH 3.46Å; P297-Y354 HydrophobicContact CG-CE1 4.35Å; P297-Y354 HydrophobicContact CG-CE2 3.63Å; P297-Y354 WeakPolarHBondContact CG-OH 3.19Å; W320-Y354 HydrophobicContact CE3-CD1 4.47Å; W320-Y354 HydrophobicContact CE3-CD2 4.38Å; W320-Y354 HydrophobicContact CE3-CG 4.01Å; W320-Y354 HydrophobicContact CH2-CD1 4.45Å; W320-Y354 AromaticContact CZ3-CD1 3.65Å; W320-Y354 HydrophobicContact CZ3-CD1 3.65Å; W320-Y354 HydrophobicContact CZ3-CD2 4.06Å; W320-Y354 HydrophobicContact CZ3-CE1 4.24Å; W320-Y354 AromaticContact CZ3-CG 3.6Å; W320-Y354 HydrophobicContact CZ3-CG 3.6Å; E327-Y354 HydrophobicContact CB-CE2 4.44Å; E327-Y354 HydrophobicContact CG-CD2 4.36Å; E327-Y354 HydrophobicContact CG-CE2 3.62Å; I329-Y354 HydrophobicContact CD1-CD2 4.49Å; W350-Y354 PolarHBondContact O-N 2.87Å; Y354-R356 VanDerWaalsContact C-N 3.29Å; Y354-R356 PolarHBondContact O-N 2.85Å; Y354-Q357 PolarHBondContact O-N 3.2Å; Y354-H358 HydrophobicContact CD1-CB 4.45Å; Y354-H358 HydrophobicContact CE1-CB 4.16Å; Y354-H358 WeakPolarHBondContact O-CB 2.99Å; Y354-H358 PolarHBondContact O-N 2.94Å
355	I	94.4	Very high	93.3	Very high	43 Å²	43	43.9 Å²	43.9	22%	0.221	21%	0.205	C	C	.	.	H	α-helix	trans	-62.5	-36.5	179.5	-70	170.4	0	0	0	111.1	L301 K351 A353 R359	L301-I355 HydrophobicContact CD2-CD1 4.02Å; L301-I355 HydrophobicContact CD2-CG1 4.42Å; K351-I355 HydrophobicContact CG-CD1 3.87Å; K351-I355 HydrophobicContact CG-CG1 4.49Å; K351-I355 WeakPolarHBondContact O-CB 3.35Å; K351-I355 VanDerWaalsContact O-CG1 3.24Å; K351-I355 WeakPolarHBondContact O-CG1 3.48Å; K351-I355 PolarHBondContact O-N 2.74Å; A353-I355 PolarHBondContact O-N 2.59Å; I355-R359 HydrophobicContact CG2-CG 4.46Å; I355-R359 WeakPolarHBondContact O-CB 3.23Å; I355-R359 WeakPolarHBondContact O-CD 3.19Å; I355-R359 WeakPolarHBondContact O-CG 3.08Å; I355-R359 PolarHBondContact O-N 3.49Å
356	R	94.9	Very high	94.5	Very high	61 Å²	61	49.4 Å²	49.4	23%	0.23	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-48.1	173.9	-178.5	172	172.5	-94.7	5.2	111.5	L333 S352 A353 Y354 R359 I360 D702 V703 M705	L333-R356 HydrophobicContact CD2-CB 3.9Å; L333-R356 HydrophobicContact CD2-CG 4.43Å; S352-R356 WeakPolarHBondContact O-CB 3.48Å; S352-R356 PolarHBondContact O-N 3.19Å; A353-R356 PolarHBondContact O-N 3.15Å; A353-R356 VanDerWaalsContact O-N 3.14Å; Y354-R356 VanDerWaalsContact C-N 3.29Å; Y354-R356 PolarHBondContact O-N 2.85Å; R356-R359 WeakPolarHBondContact O-CB 3.39Å; R356-R359 PolarHBondContact O-N 3.04Å; R356-I360 HydrophobicContact CG-CD1 3.79Å; R356-I360 HydrophobicContact CG-CG1 4.48Å; R356-I360 WeakPolarHBondContact O-CG1 3.48Å; R356-I360 PolarHBondContact O-N 3.24Å; R356-D702 IonicContact CZ-OD1 3.88Å; R356-D702 IonicContact CZ-OD2 3.77Å; R356-D702 IonicContact NE-OD1 2.94Å; R356-D702 PolarHBondContact NE-OD1 3.45Å; R356-D702 IonicContact NH2-OD1 3.34Å; R356-D702 PolarHBondContact NH2-OD1 3.47Å; R356-D702 IonicContact NH2-OD2 2.86Å; R356-D702 PolarHBondContact NH2-OD2 3.22Å; R356-V703 HydrophobicContact CG-CG2 3.87Å; R356-M705 HydrophobicContact CB-CE 4.1Å; R356-M705 HydrophobicContact CB-CG 4.43Å; R356-M705 HydrophobicContact CB-SD 4.08Å; R356-M705 HydrophobicContact CG-CG 4.27Å; R356-M705 HydrophobicContact CG-SD 4.39Å
357	Q	95.4	Very high	95.3	Very high	32 Å²	32	43.4 Å²	43.4	15%	0.15	20%	0.197	C	C	.	.	H	α-helix	trans	-62.5	-47.7	179.7	-171.1	59.2	42.7	0	0	111.6	I329 A353 Y354 R359 I360 D361 N678	I329-Q357 HydrophobicContact CD1-CB 3.63Å; I329-Q357 HydrophobicContact CD1-CG 4.03Å; I329-Q357 HydrophobicContact CG1-CB 4.43Å; I329-Q357 HydrophobicContact CG1-CG 4.44Å; A353-Q357 PolarHBondContact O-N 2.61Å; Y354-Q357 PolarHBondContact O-N 3.2Å; Q357-R359 PolarHBondContact O-N 3.02Å; Q357-I360 WeakPolarHBondContact O-CB 3.35Å; Q357-I360 PolarHBondContact O-N 2.84Å; Q357-D361 PolarHBondContact NE2-OD1 2.75Å; Q357-D361 PolarHBondContact O-N 2.87Å; Q357-N678 PolarHBondContact NE2-OD1 3.41Å; Q357-N678 PolarHBondContact OE1-ND2 3.46Å; Q357-N678 PolarHBondContact OE1-OD1 3.16Å
358	H	94.9	Very high	95.7	Very high	97 Å²	97	46.9 Å²	46.9	45%	0.449	21%	0.213	S	C	.	.	H	α-helix	trans	-59.8	-33.8	177.7	-176.8	81.2	0	0	0	112.8	Y354 T362	Y354-H358 HydrophobicContact CD1-CB 4.45Å; Y354-H358 HydrophobicContact CE1-CB 4.16Å; Y354-H358 WeakPolarHBondContact O-CB 2.99Å; Y354-H358 PolarHBondContact O-N 2.94Å; H358-T362 VanDerWaalsContact O-CB 3.26Å; H358-T362 WeakPolarHBondContact O-CB 3.39Å; H358-T362 PolarHBondContact O-N 2.98Å; H358-T362 PolarHBondContact O-OG1 2.97Å
359	R	95.9	Very high	95.8	Very high	119 Å²	119	49.8 Å²	49.8	45%	0.449	23%	0.229	S	C	.	.	H	α-helix	trans	-69.9	-41.5	172.2	-76.4	171.6	174.5	-165.4	-3.3	112.2	I355 R356 Q357 T362 N363 V703 M705	I355-R359 HydrophobicContact CG2-CG 4.46Å; I355-R359 WeakPolarHBondContact O-CB 3.23Å; I355-R359 WeakPolarHBondContact O-CD 3.19Å; I355-R359 WeakPolarHBondContact O-CG 3.08Å; I355-R359 PolarHBondContact O-N 3.49Å; R356-R359 WeakPolarHBondContact O-CB 3.39Å; R356-R359 PolarHBondContact O-N 3.04Å; Q357-R359 PolarHBondContact O-N 3.02Å; R359-T362 WeakPolarHBondContact O-CB 3.3Å; R359-T362 PolarHBondContact O-N 3.3Å; R359-N363 WeakPolarHBondContact O-CB 3.37Å; R359-N363 PolarHBondContact O-N 2.93Å; R359-V703 HydrophobicContact CB-CB 4.35Å; R359-V703 HydrophobicContact CB-CG1 4.08Å; R359-V703 HydrophobicContact CB-CG2 4.01Å; R359-M705 PolarHBondContact NH1-SD 3.03Å
360	I	96.6	Very high	95.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.6	-51.3	175	-70.6	161.5	0	0	0	110.3	R356 Q357 T362 N363 W364 N678 T679 V703	R356-I360 HydrophobicContact CG-CD1 3.79Å; R356-I360 HydrophobicContact CG-CG1 4.48Å; R356-I360 WeakPolarHBondContact O-CG1 3.48Å; R356-I360 PolarHBondContact O-N 3.24Å; Q357-I360 WeakPolarHBondContact O-CB 3.35Å; Q357-I360 PolarHBondContact O-N 2.84Å; I360-T362 PolarHBondContact O-N 2.95Å; I360-N363 WeakPolarHBondContact O-CA 3.44Å; I360-N363 VanDerWaalsContact O-CB 3.3Å; I360-N363 WeakPolarHBondContact O-CB 3.45Å; I360-N363 PolarHBondContact O-N 2.87Å; I360-W364 VanDerWaalsContact O-CD1 3.27Å; I360-W364 PolarHBondContact O-N 3Å; I360-N678 WeakPolarHBondContact CG2-O 3.4Å; I360-T679 HydrophobicContact CD1-CG2 3.73Å; I360-T679 HydrophobicContact CG1-CG2 4.36Å; I360-V703 HydrophobicContact CG1-CG1 4.11Å; I360-V703 HydrophobicContact CG1-CG2 3.99Å
361	D	96.5	Very high	95.8	Very high	16 Å²	16	57.1 Å²	57.1	9%	0.086	27%	0.272	C	S	.	.	H	α-helix	trans	-57.7	-35.4	176.5	-70.6	0.7	0	0	0	112.4	Q357 R365 N634 F635	Q357-D361 PolarHBondContact NE2-OD1 2.75Å; Q357-D361 PolarHBondContact O-N 2.87Å; D361-R365 WeakPolarHBondContact O-CB 3.36Å; D361-R365 WeakPolarHBondContact O-CG 3.2Å; D361-R365 PolarHBondContact O-N 2.89Å; D361-R365 VanDerWaalsContact O-N 3.15Å; D361-N634 PolarHBondContact OD2-ND2 3.46Å; D361-F635 HydrophobicContact CB-CZ 4.5Å
362	T	96.8	Very high	95.9	Very high	38 Å²	38	59 Å²	59	23%	0.233	29%	0.285	C	S	.	.	H	α-helix	trans	-68.9	-38	172.3	-70.7	0	0	0	0	111.9	H358 R359 I360 R365 R366 G367	H358-T362 VanDerWaalsContact O-CB 3.26Å; H358-T362 WeakPolarHBondContact O-CB 3.39Å; H358-T362 PolarHBondContact O-N 2.98Å; H358-T362 PolarHBondContact O-OG1 2.97Å; R359-T362 WeakPolarHBondContact O-CB 3.3Å; R359-T362 PolarHBondContact O-N 3.3Å; I360-T362 PolarHBondContact O-N 2.95Å; T362-R365 PolarHBondContact O-N 3.18Å; T362-R366 HydrophobicContact CG2-CG 4.18Å; T362-R366 WeakPolarHBondContact O-CG 3.47Å; T362-R366 PolarHBondContact O-N 2.89Å; T362-R366 PolarHBondContact OG1-NH2 2.88Å; T362-G367 PolarHBondContact O-N 2.82Å
363	N	97.4	Very high	96.1	Very high	28 Å²	28	61.6 Å²	61.6	15%	0.15	30%	0.295	C	S	.	.	H	α-helix	trans	-68.6	-42.7	-179.6	-152.2	23.8	0	0	0	111.3	R359 I360 G367 F701 V703	R359-N363 WeakPolarHBondContact O-CB 3.37Å; R359-N363 PolarHBondContact O-N 2.93Å; I360-N363 WeakPolarHBondContact O-CA 3.44Å; I360-N363 VanDerWaalsContact O-CB 3.3Å; I360-N363 WeakPolarHBondContact O-CB 3.45Å; I360-N363 PolarHBondContact O-N 2.87Å; N363-G367 VanDerWaalsContact O-CA 3.22Å; N363-G367 WeakPolarHBondContact O-CA 3.43Å; N363-G367 PolarHBondContact O-N 3.46Å; N363-G367 WeakPolarHBondContact OD1-CA 3.26Å; N363-F701 VanDerWaalsContact ND2-C 3.3Å; N363-F701 WeakPolarHBondContact ND2-CA 3.44Å; N363-F701 PolarHBondContact ND2-O 3.28Å; N363-V703 HydrophobicContact CB-CG1 4.28Å
364	W	98.2	Very high	96.3	Very high	9 Å²	9	64.8 Å²	64.8	3%	0.034	31%	0.313	C	S	.	.	H	α-helix	trans	-57.7	-52.3	168.4	-75.4	100.1	0	0	0	111.5	I360 F635 I637 L647 L659 A676 S677 N678 L681 F701	I360-W364 VanDerWaalsContact O-CD1 3.27Å; I360-W364 PolarHBondContact O-N 3Å; W364-F635 HydrophobicContact CB-CE2 4.08Å; W364-F635 HydrophobicContact CB-CZ 4.14Å; W364-F635 HydrophobicContact CG-CE2 4.42Å; W364-I637 HydrophobicContact CE3-CD1 4.4Å; W364-I637 HydrophobicContact CH2-CD1 3.77Å; W364-I637 HydrophobicContact CZ3-CD1 3.57Å; W364-I637 HydrophobicContact CZ3-CG1 4.49Å; W364-L647 HydrophobicContact CB-CD2 4.16Å; W364-L647 HydrophobicContact CE3-CD1 4.43Å; W364-L647 VanDerWaalsContact O-CD2 3.3Å; W364-L647 WeakPolarHBondContact O-CD2 3.48Å; W364-L659 HydrophobicContact CE3-CD1 3.88Å; W364-L659 HydrophobicContact CZ3-CD1 3.75Å; W364-A676 HydrophobicContact CH2-CB 4.38Å; W364-S677 WeakPolarHBondContact CZ2-O 3.31Å; W364-N678 PolarHBondContact NE1-O 2.98Å; W364-L681 HydrophobicContact CH2-CB 3.83Å; W364-L681 HydrophobicContact CZ3-CB 4.09Å; W364-F701 HydrophobicContact CD2-CB 4.17Å; W364-F701 HydrophobicContact CD2-CD1 4.09Å; W364-F701 AromaticContact CD2-CD2 3.66Å; W364-F701 HydrophobicContact CD2-CD2 3.66Å; W364-F701 HydrophobicContact CD2-CE1 4.43Å; W364-F701 HydrophobicContact CD2-CE2 4.04Å; W364-F701 AromaticContact CD2-CG 3.69Å; W364-F701 HydrophobicContact CD2-CG 3.69Å; W364-F701 HydrophobicContact CD2-CZ 4.41Å; W364-F701 AromaticContact CE2-CD2 3.56Å; W364-F701 AromaticContact CE2-CG 3.77Å; W364-F701 HydrophobicContact CE3-CD1 4.32Å; W364-F701 AromaticContact CE3-CD2 3.72Å; W364-F701 HydrophobicContact CE3-CD2 3.72Å; W364-F701 HydrophobicContact CE3-CE1 4.21Å; W364-F701 AromaticContact CE3-CE2 3.6Å; W364-F701 HydrophobicContact CE3-CE2 3.6Å; W364-F701 HydrophobicContact CE3-CG 4.09Å; W364-F701 AromaticContact CE3-CZ 3.86Å; W364-F701 HydrophobicContact CE3-CZ 3.86Å; W364-F701 HydrophobicContact CG-CB 4.19Å; W364-F701 HydrophobicContact CG-CD1 4.17Å; W364-F701 HydrophobicContact CG-CD2 4.46Å; W364-F701 HydrophobicContact CG-CG 4.01Å; W364-F701 AromaticContact CH2-CD2 3.69Å; W364-F701 HydrophobicContact CH2-CD2 3.69Å; W364-F701 AromaticContact CH2-CE2 3.75Å; W364-F701 HydrophobicContact CH2-CE2 3.75Å; W364-F701 AromaticContact CZ2-CD2 3.58Å; W364-F701 HydrophobicContact CZ2-CD2 3.58Å; W364-F701 HydrophobicContact CZ2-CE2 4.14Å; W364-F701 HydrophobicContact CZ2-CG 4.26Å; W364-F701 AromaticContact CZ3-CD2 3.74Å; W364-F701 HydrophobicContact CZ3-CD2 3.74Å; W364-F701 AromaticContact CZ3-CE2 3.44Å; W364-F701 HydrophobicContact CZ3-CE2 3.44Å; W364-F701 VanDerWaalsContact CZ3-CE2 3.44Å; W364-F701 HydrophobicContact CZ3-CZ 4.04Å
365	R	98	Very high	96.4	Very high	63 Å²	63	63.9 Å²	63.9	24%	0.238	31%	0.31	C	S	.	.	H	α-helix	trans	-62	-47.7	-176.6	-80.4	177.5	170.2	103.5	-1.2	113.8	D361 T362 F635 D649 I656	D361-R365 WeakPolarHBondContact O-CB 3.36Å; D361-R365 WeakPolarHBondContact O-CG 3.2Å; D361-R365 PolarHBondContact O-N 2.89Å; D361-R365 VanDerWaalsContact O-N 3.15Å; T362-R365 PolarHBondContact O-N 3.18Å; R365-F635 HydrophobicContact CG-CE1 3.46Å; R365-F635 VanDerWaalsContact CG-CE1 3.46Å; R365-F635 HydrophobicContact CG-CZ 3.69Å; R365-F635 VanDerWaalsContact NH1-CZ 3.28Å; R365-D649 IonicContact CZ-OD2 3.97Å; R365-D649 IonicContact NE-OD2 2.74Å; R365-D649 IonicContact NH2-OD2 2.81Å; R365-D649 PolarHBondContact NH2-OD2 2.99Å; R365-I656 HydrophobicContact CB-CG2 4.36Å; R365-I656 HydrophobicContact CG-CD1 4.22Å; R365-I656 HydrophobicContact CG-CG2 4.42Å; R365-I656 VanDerWaalsContact O-CG2 3.28Å; R365-I656 WeakPolarHBondContact O-CG2 3.31Å
366	R	97.1	Very high	96.6	Very high	169 Å²	169	67.3 Å²	67.3	64%	0.638	32%	0.323	S	S	*	.	H	α-helix	trans	-151.7	18.5	-166.7	61.7	172.5	174.4	-83.7	-11.3	114.5	T362	T362-R366 HydrophobicContact CG2-CG 4.18Å; T362-R366 WeakPolarHBondContact O-CG 3.47Å; T362-R366 PolarHBondContact O-N 2.89Å; T362-R366 PolarHBondContact OG1-NH2 2.88Å
367	G	95.9	Very high	96.7	Very high	14 Å²	14	64.8 Å²	64.8	14%	0.144	32%	0.316	C	S	.	.			trans	-67.3	165.1	172.5	0	0	0	0	0	112.5	T362 N363 R657	T362-G367 PolarHBondContact O-N 2.82Å; N363-G367 VanDerWaalsContact O-CA 3.22Å; N363-G367 WeakPolarHBondContact O-CA 3.43Å; N363-G367 PolarHBondContact O-N 3.46Å; N363-G367 WeakPolarHBondContact OD1-CA 3.26Å; G367-R657 PolarHBondContact O-NH1 3.25Å
368	E	95.9	Very high	96.8	Very high	173 Å²	173	63.3 Å²	63.3	81%	0.808	31%	0.309	S	S	*	.			trans	-70.3	127.8	167.3	-170.5	178.2	169.4	0	0	109.1	K370	E368-K370 PolarHBondContact O-N 2.85Å
369	L	94.6	Very high	96.9	Very high	66 Å²	66	63 Å²	63	35%	0.346	31%	0.311	S	S	.	.			trans	-76.4	92.1	176	-70.3	172.9	0	0	0	108.6	R657 L659 L699 F701	L369-R657 VanDerWaalsContact CD1-NH2 3.32Å; L369-L659 HydrophobicContact CD2-CD2 4.24Å; L369-L699 HydrophobicContact CD2-CD2 4.33Å; L369-F701 HydrophobicContact CD2-CE1 3.9Å; L369-F701 HydrophobicContact CD2-CZ 4.14Å
370	K	94.3	Very high	96.9	Very high	105 Å²	105	64.3 Å²	64.3	46%	0.457	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-51.4	140.8	166.4	-53.6	169.7	-164.7	158.5	0	108.6	E368 D700 D702	E368-K370 PolarHBondContact O-N 2.85Å; K370-D700 WeakPolarHBondContact CE-O 3.21Å; K370-D700 PolarHBondContact NZ-O 3.47Å; K370-D702 PolarHBondContact NZ-O 2.77Å
371	S	95.6	Very high	96.9	Very high	112 Å²	112	68.1 Å²	68.1	78%	0.783	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-54.2	130.6	174.2	44.4	0	0	0	0	110.7
372	P	97.5	Very high	97	Very high	50 Å²	50	69.1 Å²	69.1	33%	0.325	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-65.7	153.7	179.2	26.9	-33.8	0	0	0	110.6	V374 L697 V698 L699	P372-V374 PolarHBondContact O-N 2.96Å; P372-L697 HydrophobicContact CB-CB 4.2Å; P372-L697 HydrophobicContact CG-CD2 4.27Å; P372-V698 WeakPolarHBondContact CA-O 3.27Å; P372-L699 HydrophobicContact CB-CD1 3.98Å; P372-L699 HydrophobicContact CB-CG 4.11Å
373	K	98.3	Very high	97.1	Very high	67 Å²	67	67.4 Å²	67.4	29%	0.291	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	126.6	160.3	-56	-164.7	-169.8	77.4	0	107.8	L375 V408 L697 V698	K373-L375 HydrophobicContact CB-CD1 4.41Å; K373-V408 WeakPolarHBondContact CE-O 3.47Å; K373-V408 PolarHBondContact NZ-O 2.94Å; K373-L697 WeakPolarHBondContact O-CA 3.37Å; K373-V698 HydrophobicContact CB-CB 4.36Å; K373-V698 PolarHBondContact N-O 2.76Å; K373-V698 PolarHBondContact O-N 3.41Å
374	V	98.5	Very high	97.2	Very high	75 Å²	75	66.9 Å²	66.9	46%	0.455	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	132.1	169.2	175.7	0	0	0	0	108.5	P372 K376 K695 L697	P372-V374 PolarHBondContact O-N 2.96Å; V374-K376 HydrophobicContact CG1-CG 4.06Å; V374-K695 HydrophobicContact CG1-CB 4.26Å; V374-K695 HydrophobicContact CG1-CD 3.7Å; V374-L697 HydrophobicContact CG2-CD2 3.87Å
375	L	98.3	Very high	97.2	Very high	5 Å²	5	66.9 Å²	66.9	3%	0.026	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	96.5	171.4	-49	84.7	0	0	0	107.2	K373 W405 G410 K695 L696 V698	K373-L375 HydrophobicContact CB-CD1 4.41Å; L375-W405 HydrophobicContact CB-CD2 4.34Å; L375-W405 HydrophobicContact CB-CE3 3.8Å; L375-W405 HydrophobicContact CB-CH2 4.37Å; L375-W405 HydrophobicContact CB-CZ3 3.81Å; L375-W405 HydrophobicContact CD2-CB 3.68Å; L375-W405 HydrophobicContact CD2-CD2 3.81Å; L375-W405 HydrophobicContact CD2-CE3 3.55Å; L375-W405 HydrophobicContact CD2-CG 3.92Å; L375-W405 HydrophobicContact CD2-CZ3 4.4Å; L375-W405 HydrophobicContact CG-CE3 4.29Å; L375-G410 WeakPolarHBondContact CD2-O 3.36Å; L375-G410 WeakPolarHBondContact CG-O 3.5Å; L375-K695 CarbonylContact O-C 3.58Å; L375-K695 VanDerWaalsContact O-CA 3.31Å; L375-K695 WeakPolarHBondContact O-CA 3.43Å; L375-K695 WeakPolarHBondContact O-CB 3.34Å; L375-L696 HydrophobicContact CB-CB 4.2Å; L375-L696 HydrophobicContact CD1-CB 4.03Å; L375-L696 PolarHBondContact N-O 3.25Å; L375-L696 PolarHBondContact O-N 2.95Å; L375-V698 HydrophobicContact CD1-CB 4.3Å; L375-V698 HydrophobicContact CD1-CG2 3.55Å
376	K	97.9	Very high	97.2	Very high	115 Å²	115	63.9 Å²	63.9	50%	0.5	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	151.1	175.5	-63.5	-165.3	-177.5	-162.1	0	111.1	V374 W405 E693	V374-K376 HydrophobicContact CG1-CG 4.06Å; K376-W405 VanDerWaalsContact O-CH2 3.23Å; K376-W405 WeakPolarHBondContact O-CH2 3.37Å; K376-E693 WeakPolarHBondContact CE-OE2 3.39Å; K376-E693 IonicContact NZ-OE1 2.68Å; K376-E693 PolarHBondContact NZ-OE1 2.91Å; K376-E693 IonicContact NZ-OE2 2.72Å; K376-E693 PolarHBondContact NZ-OE2 2.72Å
377	G	96.7	Very high	97.3	Very high	7 Å²	7	57 Å²	57	7%	0.072	30%	0.303	C	S	.	.			trans	134	155.2	176.6	0	0	0	0	0	112.8	D379	G377-D379 VanDerWaalsContact CA-OD1 3.31Å; G377-D379 WeakPolarHBondContact CA-OD1 3.48Å; G377-D379 PolarHBondContact N-OD1 3.31Å; G377-D379 VanDerWaalsContact N-OD1 3.16Å
378	H	98	Very high	97.4	Very high	2 Å²	2	58 Å²	58	1%	0.009	30%	0.304	C	S	.	.	S	Bend	trans	67.6	40.7	-150.5	-48.9	-77	0	0	0	110.2	H381 I383 S395 S397 D399 T401 K403 T694	H378-H381 HydrophobicContact CB-CB 4.46Å; H378-H381 WeakPolarHBondContact O-CB 3.41Å; H378-H381 PolarHBondContact O-N 2.88Å; H378-H381 VanDerWaalsContact O-N 3.15Å; H378-I383 HydrophobicContact CB-CG1 4.27Å; H378-S395 PolarHBondContact CD2-OG 3.38Å; H378-S395 WeakPolarHBondContact NE2-CB 3.43Å; H378-S395 PolarHBondContact NE2-OG 2.79Å; H378-S397 WeakPolarHBondContact ND1-CB 3.3Å; H378-D399 IonicContact CE1-OD1 2.72Å; H378-D399 IonicContact CE1-OD2 3.58Å; H378-D399 IonicContact CG-OD2 3.79Å; H378-D399 IonicContact ND1-OD1 4Å; H378-D399 PolarHBondContact ND1-OD1 2.86Å; H378-D399 IonicContact ND1-OD2 3.21Å; H378-D399 PolarHBondContact ND1-OD2 2.91Å; H378-T401 PolarHBondContact CE1-OG1 3.01Å; H378-K403 VanDerWaalsContact ND1-CE 3.34Å; H378-K403 WeakPolarHBondContact ND1-CE 3.38Å; H378-T694 HydrophobicContact CB-CG2 3.95Å; H378-T694 WeakPolarHBondContact O-CB 3.46Å; H378-T694 WeakPolarHBondContact O-CG2 3.42Å
379	D	96.9	Very high	97.3	Very high	91 Å²	91	52 Å²	52	49%	0.487	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	139.7	-174.2	-45.4	-62.2	0	0	0	109.9	G377 H381	G377-D379 VanDerWaalsContact CA-OD1 3.31Å; G377-D379 WeakPolarHBondContact CA-OD1 3.48Å; G377-D379 PolarHBondContact N-OD1 3.31Å; G377-D379 VanDerWaalsContact N-OD1 3.16Å; D379-H381 PolarHBondContact O-CD2 3.38Å; D379-H381 PolarHBondContact O-N 3.35Å
380	D	95.1	Very high	97.2	Very high	146 Å²	146	51.9 Å²	51.9	78%	0.781	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	7.9	-172.6	-51.3	-37.6	0	0	0	116.9
381	H	98.3	Very high	97.2	Very high	79 Å²	79	51.3 Å²	51.3	37%	0.366	30%	0.297	S	S	.	.	S	Bend	trans	-116.3	163.5	-176.9	-87.1	-80.1	0	0	0	113.2	H378 D379 D398 D399 T694	H378-H381 HydrophobicContact CB-CB 4.46Å; H378-H381 WeakPolarHBondContact O-CB 3.41Å; H378-H381 PolarHBondContact O-N 2.88Å; H378-H381 VanDerWaalsContact O-N 3.15Å; D379-H381 PolarHBondContact O-CD2 3.38Å; D379-H381 PolarHBondContact O-N 3.35Å; H381-D398 WeakPolarHBondContact CB-OD1 3.22Å; H381-D398 IonicContact CG-OD1 2.77Å; H381-D398 IonicContact ND1-OD1 3.51Å; H381-D398 PolarHBondContact ND1-OD1 3Å; H381-D399 HydrophobicContact CB-CB 3.9Å; H381-D399 PolarHBondContact ND1-N 2.9Å; H381-T694 WeakPolarHBondContact O-CB 3.42Å; H381-T694 WeakPolarHBondContact O-CG2 3.28Å; H381-T694 PolarHBondContact O-OG1 2.88Å
382	V	98.4	Very high	97.3	Very high	38 Å²	38	49 Å²	49	23%	0.23	27%	0.271	C	S	.	.			trans	-94.6	134	-178	-178.2	0	0	0	0	111.3	T384 S397 D398 W672	V382-T384 PolarHBondContact O-N 3.15Å; V382-T384 VanDerWaalsContact O-N 3.17Å; V382-S397 WeakPolarHBondContact O-CA 3.4Å; V382-S397 VanDerWaalsContact O-CB 3.23Å; V382-S397 WeakPolarHBondContact O-CB 3.4Å; V382-S397 PolarHBondContact O-OG 3.41Å; V382-D398 WeakPolarHBondContact CB-OD2 3.5Å; V382-D398 PolarHBondContact N-OD1 3.45Å; V382-D398 PolarHBondContact O-N 2.92Å; V382-W672 HydrophobicContact CB-CH2 4.39Å; V382-W672 HydrophobicContact CB-CZ2 4.31Å; V382-W672 HydrophobicContact CG1-CD2 3.99Å; V382-W672 HydrophobicContact CG1-CE3 4.32Å; V382-W672 HydrophobicContact CG1-CG 4.46Å; V382-W672 HydrophobicContact CG1-CH2 4.31Å; V382-W672 HydrophobicContact CG1-CZ2 4Å; V382-W672 HydrophobicContact CG1-CZ3 4.47Å; V382-W672 HydrophobicContact CG2-CH2 4.45Å; V382-W672 HydrophobicContact CG2-CZ2 4.07Å
383	I	98.8	Very high	97.4	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	26%	0.256	C	S	.	.			trans	-84.9	89	172.2	-60.5	174	0	0	0	109.3	H378 C385 G396 W672 A684 T694 L696	H378-I383 HydrophobicContact CB-CG1 4.27Å; I383-C385 VanDerWaalsContact C-N 3.33Å; I383-C385 PolarHBondContact O-N 3.46Å; I383-G396 CarbonylContact C-O 3.56Å; I383-W672 HydrophobicContact CB-CE3 4.01Å; I383-W672 HydrophobicContact CB-CZ3 4.1Å; I383-W672 HydrophobicContact CG1-CZ3 4.19Å; I383-A684 HydrophobicContact CB-CB 3.98Å; I383-A684 HydrophobicContact CD1-CB 4.27Å; I383-A684 HydrophobicContact CG2-CB 3.75Å; I383-T694 HydrophobicContact CD1-CG2 3.62Å; I383-T694 HydrophobicContact CG1-CG2 3.68Å; I383-L696 HydrophobicContact CD1-CD2 3.7Å; I383-L696 HydrophobicContact CD1-CG 4.37Å
384	T	98.4	Very high	97.4	Very high	18 Å²	18	43.5 Å²	43.5	11%	0.11	24%	0.242	C	C	.	.			trans	-66.7	-30.8	-175.6	69.8	0	0	0	0	113.4	V382 G396 V423 W424 R673	V382-T384 PolarHBondContact O-N 3.15Å; V382-T384 VanDerWaalsContact O-N 3.17Å; T384-G396 PolarHBondContact N-O 3.05Å; T384-G396 PolarHBondContact OG1-O 3.09Å; T384-V423 WeakPolarHBondContact CB-O 3.46Å; T384-V423 WeakPolarHBondContact CG2-O 3.44Å; T384-V423 PolarHBondContact OG1-O 2.86Å; T384-W424 HydrophobicContact CG2-CD2 4.07Å; T384-W424 HydrophobicContact CG2-CE3 3.85Å; T384-W424 HydrophobicContact CG2-CH2 4.24Å; T384-W424 HydrophobicContact CG2-CZ2 4.41Å; T384-W424 HydrophobicContact CG2-CZ3 3.95Å; T384-R673 VanDerWaalsContact O-CD 3.29Å; T384-R673 WeakPolarHBondContact O-CD 3.49Å
385	C	98.4	Very high	97.4	Very high	8 Å²	8	40 Å²	40	5%	0.054	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	145.2	-175.1	57.6	0	0	0	0	112.3	I383 G396 S426	I383-C385 VanDerWaalsContact C-N 3.33Å; I383-C385 PolarHBondContact O-N 3.46Å; C385-G396 PolarHBondContact N-O 2.9Å; C385-G396 PolarHBondContact O-N 3.49Å; C385-G396 VanDerWaalsContact SG-CA 3.59Å; C385-S426 WeakPolarHBondContact CB-OG 3.29Å; C385-S426 PolarHBondContact SG-OG 3.11Å
386	L	98.8	Very high	97.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	126	-173.5	-178.9	72	0	0	0	109.9	I393 V394 R673 R675 V682 A684 L696	L386-I393 HydrophobicContact CD1-CG2 3.78Å; L386-V394 WeakPolarHBondContact CA-O 3.32Å; L386-R673 HydrophobicContact CB-CB 4.33Å; L386-R673 PolarHBondContact O-NH1 3.44Å; L386-R675 HydrophobicContact CD2-CB 4.4Å; L386-R675 HydrophobicContact CD2-CG 4.29Å; L386-R675 HydrophobicContact CG-CG 4.26Å; L386-V682 HydrophobicContact CD1-CG1 4.19Å; L386-V682 HydrophobicContact CD2-CG1 4.15Å; L386-A684 HydrophobicContact CD2-CB 4.24Å; L386-L696 HydrophobicContact CD1-CD1 4.37Å; L386-L696 HydrophobicContact CD1-CD2 3.92Å
387	Q	98.5	Very high	97.5	Very high	25 Å²	25	34.2 Å²	34.2	12%	0.117	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	149.5	175.4	-62.2	-68.2	14.7	0	0	110.9	I393 V394 S426 M428	Q387-I393 WeakPolarHBondContact O-CA 3.48Å; Q387-V394 PolarHBondContact N-O 3.33Å; Q387-V394 PolarHBondContact O-N 2.85Å; Q387-S426 PolarHBondContact NE2-O 2.92Å; Q387-M428 HydrophobicContact CB-CB 4.27Å; Q387-M428 HydrophobicContact CB-CE 3.85Å
388	F	97.6	Very high	97.6	Very high	36 Å²	36	35.9 Å²	35.9	16%	0.158	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	115.9	-177.5	178.3	-153.5	0	0	0	109.3	G390 R392 I393 A407 R675 K680 V682	F388-G390 WeakPolarHBondContact CE2-O 3.46Å; F388-R392 WeakPolarHBondContact CD2-O 3.33Å; F388-I393 HydrophobicContact CD2-CG1 3.69Å; F388-I393 HydrophobicContact CE2-CG1 4.16Å; F388-I393 HydrophobicContact CG-CG1 4.31Å; F388-A407 HydrophobicContact CE2-CB 3.73Å; F388-A407 HydrophobicContact CZ-CB 4.27Å; F388-R675 HydrophobicContact CB-CB 3.76Å; F388-R675 HydrophobicContact CB-CG 4.35Å; F388-R675 HydrophobicContact CD1-CB 4.31Å; F388-K680 HydrophobicContact CE1-CB 4.2Å; F388-K680 HydrophobicContact CZ-CB 4.09Å; F388-V682 HydrophobicContact CD1-CG2 3.7Å; F388-V682 HydrophobicContact CD2-CG2 4.4Å; F388-V682 HydrophobicContact CE1-CG2 3.79Å; F388-V682 HydrophobicContact CG-CG2 4.03Å; F388-V682 HydrophobicContact CZ-CG2 4.22Å
389	C	95.1	Very high	97.6	Very high	47 Å²	47	37.2 Å²	37.2	32%	0.318	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	120.7	179.8	-171.5	0	0	0	0	109.9	N391 R392 M428	C389-N391 PolarHBondContact O-N 3.48Å; C389-R392 PolarHBondContact N-O 2.71Å; C389-R392 PolarHBondContact O-N 2.86Å; C389-M428 HydrophobicContact CB-CE 3.67Å; C389-M428 HydrophobicContact CB-CG 4.4Å; C389-M428 HydrophobicContact CB-SD 4.19Å
390	G	91.9	Very high	97.7	Very high	63 Å²	63	36 Å²	36	65%	0.649	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	-101	-178.6	0	0	0	0	0	113.1	F388	F388-G390 WeakPolarHBondContact CE2-O 3.46Å
391	N	95	Very high	97.8	Very high	92 Å²	92	29.9 Å²	29.9	49%	0.492	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115	3.1	179.2	-69.2	-51	0	0	0	113.9	C389 A407 V408	C389-N391 PolarHBondContact O-N 3.48Å; N391-A407 PolarHBondContact O-N 3.42Å; N391-V408 HydrophobicContact CB-CG2 4.07Å; N391-V408 VanDerWaalsContact OD1-CG2 3.23Å; N391-V408 WeakPolarHBondContact OD1-CG2 3.24Å
392	R	97.3	Very high	97.9	Very high	65 Å²	65	26.1 Å²	26.1	25%	0.245	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.5	178.4	-67	-72.6	-177.6	-80.8	0.7	110.3	F388 C389 W405 M428 E448	F388-R392 WeakPolarHBondContact CD2-O 3.33Å; C389-R392 PolarHBondContact N-O 2.71Å; C389-R392 PolarHBondContact O-N 2.86Å; R392-W405 WeakPolarHBondContact CA-O 3.48Å; R392-M428 HydrophobicContact CB-SD 4.23Å; R392-E448 IonicContact CZ-OE2 2.88Å; R392-E448 IonicContact NE-OE2 3.83Å; R392-E448 IonicContact NH2-OE2 3.54Å; R392-E448 PolarHBondContact NH2-OE2 3.38Å
393	I	98.6	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	143.7	168.5	-61	160.5	0	0	0	107.3	L386 Q387 F388 V404 W405 A407 V682 L696 V698	L386-I393 HydrophobicContact CD1-CG2 3.78Å; Q387-I393 WeakPolarHBondContact O-CA 3.48Å; F388-I393 HydrophobicContact CD2-CG1 3.69Å; F388-I393 HydrophobicContact CE2-CG1 4.16Å; F388-I393 HydrophobicContact CG-CG1 4.31Å; I393-V404 CarbonylContact O-C 3.6Å; I393-V404 WeakPolarHBondContact O-CA 3.44Å; I393-W405 HydrophobicContact CB-CB 4.27Å; I393-W405 PolarHBondContact N-O 2.77Å; I393-W405 PolarHBondContact O-N 3.07Å; I393-A407 HydrophobicContact CD1-CB 3.71Å; I393-A407 HydrophobicContact CG1-CB 4.03Å; I393-V682 HydrophobicContact CD1-CB 4.46Å; I393-V682 HydrophobicContact CD1-CG1 3.88Å; I393-V682 HydrophobicContact CD1-CG2 3.67Å; I393-V682 HydrophobicContact CG1-CG1 4.31Å; I393-V682 HydrophobicContact CG1-CG2 4.04Å; I393-V682 HydrophobicContact CG2-CG1 3.96Å; I393-L696 HydrophobicContact CG2-CD1 3.79Å; I393-V698 HydrophobicContact CD1-CG2 3.68Å
394	V	98.8	Very high	97.9	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	121	173.1	-176.5	0	0	0	0	108.6	L386 Q387 L402 K403 V404 M428 I433	L386-V394 WeakPolarHBondContact CA-O 3.32Å; Q387-V394 PolarHBondContact N-O 3.33Å; Q387-V394 PolarHBondContact O-N 2.85Å; V394-L402 HydrophobicContact CG1-CB 4.29Å; V394-L402 HydrophobicContact CG1-CD2 3.96Å; V394-K403 WeakPolarHBondContact CA-O 3.45Å; V394-V404 HydrophobicContact CG2-CG1 4.45Å; V394-V404 HydrophobicContact CG2-CG2 4.38Å; V394-M428 HydrophobicContact CB-CE 4.39Å; V394-M428 HydrophobicContact CG2-CE 3.74Å; V394-M428 HydrophobicContact CG2-SD 3.53Å; V394-M428 VanDerWaalsContact CG2-SD 3.53Å; V394-I433 HydrophobicContact CG1-CD1 4.21Å; V394-I433 HydrophobicContact CG1-CG2 4.26Å; V394-I433 HydrophobicContact CG2-CD1 3.47Å; V394-I433 VanDerWaalsContact CG2-CD1 3.47Å; V394-I433 HydrophobicContact CG2-CG1 3.96Å
395	S	98.8	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	140.7	164.9	49.1	0	0	0	0	109.1	H378 L402 K403 W405	H378-S395 PolarHBondContact CD2-OG 3.38Å; H378-S395 WeakPolarHBondContact NE2-CB 3.43Å; H378-S395 PolarHBondContact NE2-OG 2.79Å; S395-L402 CarbonylContact O-C 3.49Å; S395-L402 WeakPolarHBondContact O-CA 3.41Å; S395-L402 VanDerWaalsContact O-CB 3.3Å; S395-L402 WeakPolarHBondContact O-CB 3.39Å; S395-K403 PolarHBondContact N-O 2.9Å; S395-K403 PolarHBondContact O-N 2.82Å; S395-K403 PolarHBondContact OG-O 2.84Å; S395-W405 PolarHBondContact OG-NE1 3.33Å
396	G	98.8	Very high	97.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145.9	165.4	0	0	0	0	0	109.4	I383 T384 C385	I383-G396 CarbonylContact C-O 3.56Å; T384-G396 PolarHBondContact N-O 3.05Å; T384-G396 PolarHBondContact OG1-O 3.09Å; C385-G396 PolarHBondContact N-O 2.9Å; C385-G396 PolarHBondContact O-N 3.49Å; C385-G396 VanDerWaalsContact SG-CA 3.59Å
397	S	98.8	Very high	97.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.146	C	C	.	.			trans	-141.3	165.4	-166.4	177.6	0	0	0	0	112.2	H378 V382 D399 T401 V423	H378-S397 WeakPolarHBondContact ND1-CB 3.3Å; V382-S397 WeakPolarHBondContact O-CA 3.4Å; V382-S397 VanDerWaalsContact O-CB 3.23Å; V382-S397 WeakPolarHBondContact O-CB 3.4Å; V382-S397 PolarHBondContact O-OG 3.41Å; S397-D399 WeakPolarHBondContact CB-OD1 3.46Å; S397-D399 PolarHBondContact O-N 2.81Å; S397-D399 PolarHBondContact OG-N 2.9Å; S397-T401 PolarHBondContact N-O 3.42Å; S397-V423 WeakPolarHBondContact O-CB 3.41Å; S397-V423 PolarHBondContact O-N 2.9Å
398	D	98.5	Very high	97.7	Very high	42 Å²	42	27.8 Å²	27.8	23%	0.225	16%	0.162	C	C	.	.	S	Bend	trans	-69.6	-5.5	166.4	51	25.3	0	0	0	114	H381 V382 N400	H381-D398 WeakPolarHBondContact CB-OD1 3.22Å; H381-D398 IonicContact CG-OD1 2.77Å; H381-D398 IonicContact ND1-OD1 3.51Å; H381-D398 PolarHBondContact ND1-OD1 3Å; V382-D398 WeakPolarHBondContact CB-OD2 3.5Å; V382-D398 PolarHBondContact N-OD1 3.45Å; V382-D398 PolarHBondContact O-N 2.92Å; D398-N400 PolarHBondContact O-N 2.88Å; D398-N400 PolarHBondContact O-OD1 2.93Å
399	D	98.6	Very high	97.7	Very high	30 Å²	30	29.9 Å²	29.9	16%	0.16	18%	0.179	C	C	.	.	S	Bend	trans	-65.4	14	167	89.9	-24	0	0	0	114.9	H378 H381 S397 T401 K403	H378-D399 IonicContact CE1-OD1 2.72Å; H378-D399 IonicContact CE1-OD2 3.58Å; H378-D399 IonicContact CG-OD2 3.79Å; H378-D399 IonicContact ND1-OD1 4Å; H378-D399 PolarHBondContact ND1-OD1 2.86Å; H378-D399 IonicContact ND1-OD2 3.21Å; H378-D399 PolarHBondContact ND1-OD2 2.91Å; H381-D399 HydrophobicContact CB-CB 3.9Å; H381-D399 PolarHBondContact ND1-N 2.9Å; S397-D399 WeakPolarHBondContact CB-OD1 3.46Å; S397-D399 PolarHBondContact O-N 2.81Å; S397-D399 PolarHBondContact OG-N 2.9Å; D399-T401 WeakPolarHBondContact O-CG2 3.38Å; D399-T401 PolarHBondContact O-N 2.82Å; D399-T401 VanDerWaalsContact O-N 3.08Å; D399-T401 WeakPolarHBondContact OD1-CA 3.3Å; D399-T401 VanDerWaalsContact OD1-CB 3.31Å; D399-T401 WeakPolarHBondContact OD1-CB 3.42Å; D399-T401 PolarHBondContact OD1-N 2.9Å; D399-T401 PolarHBondContact OD1-OG1 3.34Å; D399-T401 PolarHBondContact OD2-OG1 2.93Å; D399-K403 IonicContact OD2-NZ 3.8Å; D399-K403 PolarHBondContact OD2-NZ 2.94Å
400	N	98.7	Very high	97.8	Very high	66 Å²	66	28.5 Å²	28.5	35%	0.353	17%	0.172	S	C	.	.	S	Bend	trans	60.5	1.8	-171.7	-52	-28	0	0	0	115.6	D398 G421 G422	D398-N400 PolarHBondContact O-N 2.88Å; D398-N400 PolarHBondContact O-OD1 2.93Å; N400-G421 WeakPolarHBondContact OD1-CA 3.49Å; N400-G421 PolarHBondContact OD1-N 2.69Å; N400-G421 PolarHBondContact OD1-O 2.75Å; N400-G422 PolarHBondContact OD1-N 2.91Å
401	T	98.8	Very high	98.1	Very high	16 Å²	16	32.5 Å²	32.5	10%	0.098	17%	0.172	C	C	.	.			trans	-113.7	166.8	-176.2	81.4	0	0	0	0	113.9	H378 S397 D399 K403 T415 L416 V417	H378-T401 PolarHBondContact CE1-OG1 3.01Å; S397-T401 PolarHBondContact N-O 3.42Å; D399-T401 WeakPolarHBondContact O-CG2 3.38Å; D399-T401 PolarHBondContact O-N 2.82Å; D399-T401 VanDerWaalsContact O-N 3.08Å; D399-T401 WeakPolarHBondContact OD1-CA 3.3Å; D399-T401 VanDerWaalsContact OD1-CB 3.31Å; D399-T401 WeakPolarHBondContact OD1-CB 3.42Å; D399-T401 PolarHBondContact OD1-N 2.9Å; D399-T401 PolarHBondContact OD1-OG1 3.34Å; D399-T401 PolarHBondContact OD2-OG1 2.93Å; T401-K403 PolarHBondContact OG1-NZ 2.86Å; T401-T415 HydrophobicContact CG2-CG2 3.96Å; T401-L416 WeakPolarHBondContact CA-O 3.48Å; T401-L416 WeakPolarHBondContact CB-O 3.4Å; T401-V417 HydrophobicContact CG2-CG2 4.15Å
402	L	98.9	Very high	98.2	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	149.2	156.6	-57.1	94.7	0	0	0	109.6	V394 S395 T415 L416 V423 I433 W445	V394-L402 HydrophobicContact CG1-CB 4.29Å; V394-L402 HydrophobicContact CG1-CD2 3.96Å; S395-L402 CarbonylContact O-C 3.49Å; S395-L402 WeakPolarHBondContact O-CA 3.41Å; S395-L402 VanDerWaalsContact O-CB 3.3Å; S395-L402 WeakPolarHBondContact O-CB 3.39Å; L402-T415 CarbonylContact O-C 3.58Å; L402-T415 WeakPolarHBondContact O-CA 3.33Å; L402-L416 HydrophobicContact CB-CB 4.16Å; L402-L416 HydrophobicContact CB-CD1 4.12Å; L402-L416 HydrophobicContact CB-CG 4.33Å; L402-L416 HydrophobicContact CD1-CB 4.48Å; L402-L416 PolarHBondContact N-O 3.05Å; L402-L416 PolarHBondContact O-N 3.11Å; L402-V423 HydrophobicContact CD1-CG1 4.2Å; L402-V423 HydrophobicContact CD1-CG2 3.82Å; L402-V423 HydrophobicContact CD2-CG1 4.19Å; L402-V423 HydrophobicContact CG-CG1 4.15Å; L402-V423 HydrophobicContact CG-CG2 4.24Å; L402-I433 HydrophobicContact CD2-CG2 4.33Å; L402-W445 HydrophobicContact CD1-CZ2 4.49Å
403	K	98.8	Very high	98.3	Very high	24 Å²	24	30.1 Å²	30.1	10%	0.104	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.9	175.4	-60.7	-175	-145.6	-48.8	0	109.7	H378 V394 S395 D399 T401 W405 R414 T415	H378-K403 VanDerWaalsContact ND1-CE 3.34Å; H378-K403 WeakPolarHBondContact ND1-CE 3.38Å; V394-K403 WeakPolarHBondContact CA-O 3.45Å; S395-K403 PolarHBondContact N-O 2.9Å; S395-K403 PolarHBondContact O-N 2.82Å; S395-K403 PolarHBondContact OG-O 2.84Å; D399-K403 IonicContact OD2-NZ 3.8Å; D399-K403 PolarHBondContact OD2-NZ 2.94Å; T401-K403 PolarHBondContact OG1-NZ 2.86Å; K403-W405 HydrophobicContact CB-CH2 4.35Å; K403-W405 HydrophobicContact CB-CZ2 3.48Å; K403-W405 VanDerWaalsContact CB-CZ2 3.48Å; K403-W405 HydrophobicContact CD-CH2 4.09Å; K403-W405 HydrophobicContact CD-CZ2 3.81Å; K403-W405 HydrophobicContact CG-CZ2 4.23Å; K403-W405 PolarHBondContact O-NE1 3.02Å; K403-W405 VanDerWaalsContact O-NE1 3.09Å; K403-R414 WeakPolarHBondContact CA-O 3.46Å; K403-T415 HydrophobicContact CG-CG2 3.98Å
404	V	98.8	Very high	98.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.7	-179	-173	0	0	0	0	108.3	I393 V394 L413 R414 L416 I433	I393-V404 CarbonylContact O-C 3.6Å; I393-V404 WeakPolarHBondContact O-CA 3.44Å; V394-V404 HydrophobicContact CG2-CG1 4.45Å; V394-V404 HydrophobicContact CG2-CG2 4.38Å; V404-L413 WeakPolarHBondContact O-CA 3.36Å; V404-L413 WeakPolarHBondContact O-CB 3.35Å; V404-L413 PolarHBondContact O-N 2.82Å; V404-R414 HydrophobicContact CB-CB 4.21Å; V404-R414 HydrophobicContact CG2-CB 4.25Å; V404-R414 PolarHBondContact N-O 2.92Å; V404-R414 PolarHBondContact O-N 2.72Å; V404-L416 HydrophobicContact CG2-CD1 3.96Å; V404-L416 HydrophobicContact CG2-CD2 4.22Å; V404-L416 HydrophobicContact CG2-CG 4.05Å; V404-I433 HydrophobicContact CG2-CD1 3.61Å
405	W	98.7	Very high	98.2	Very high	10 Å²	10	37.6 Å²	37.6	4%	0.038	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	156.6	-171.5	-40.2	81.4	0	0	0	112.6	L375 K376 R392 I393 S395 K403 K411 C412 L696	L375-W405 HydrophobicContact CB-CD2 4.34Å; L375-W405 HydrophobicContact CB-CE3 3.8Å; L375-W405 HydrophobicContact CB-CH2 4.37Å; L375-W405 HydrophobicContact CB-CZ3 3.81Å; L375-W405 HydrophobicContact CD2-CB 3.68Å; L375-W405 HydrophobicContact CD2-CD2 3.81Å; L375-W405 HydrophobicContact CD2-CE3 3.55Å; L375-W405 HydrophobicContact CD2-CG 3.92Å; L375-W405 HydrophobicContact CD2-CZ3 4.4Å; L375-W405 HydrophobicContact CG-CE3 4.29Å; K376-W405 VanDerWaalsContact O-CH2 3.23Å; K376-W405 WeakPolarHBondContact O-CH2 3.37Å; R392-W405 WeakPolarHBondContact CA-O 3.48Å; I393-W405 HydrophobicContact CB-CB 4.27Å; I393-W405 PolarHBondContact N-O 2.77Å; I393-W405 PolarHBondContact O-N 3.07Å; S395-W405 PolarHBondContact OG-NE1 3.33Å; K403-W405 HydrophobicContact CB-CH2 4.35Å; K403-W405 HydrophobicContact CB-CZ2 3.48Å; K403-W405 VanDerWaalsContact CB-CZ2 3.48Å; K403-W405 HydrophobicContact CD-CH2 4.09Å; K403-W405 HydrophobicContact CD-CZ2 3.81Å; K403-W405 HydrophobicContact CG-CZ2 4.23Å; K403-W405 PolarHBondContact O-NE1 3.02Å; K403-W405 VanDerWaalsContact O-NE1 3.09Å; W405-K411 WeakPolarHBondContact CA-O 3.32Å; W405-C412 HydrophobicContact CD2-CB 4.43Å; W405-C412 VanDerWaalsContact CE3-CA 3.48Å; W405-C412 HydrophobicContact CE3-CB 3.58Å; W405-C412 HydrophobicContact CH2-CB 4.4Å; W405-C412 HydrophobicContact CZ3-CB 3.57Å; W405-L696 HydrophobicContact CD2-CD1 4.42Å; W405-L696 HydrophobicContact CG-CD1 4.23Å
406	S	98.1	Very high	98.2	Very high	12 Å²	12	37.6 Å²	37.6	8%	0.084	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	112.7	170.2	175	0	0	0	0	111.3	V408 T409 G410 K411	S406-V408 PolarHBondContact O-N 2.66Å; S406-V408 VanDerWaalsContact O-N 3.16Å; S406-V408 PolarHBondContact OG-N 3.45Å; S406-T409 WeakPolarHBondContact CB-OG1 3.43Å; S406-T409 PolarHBondContact O-N 3.42Å; S406-T409 PolarHBondContact OG-N 3.2Å; S406-T409 PolarHBondContact OG-OG1 3.03Å; S406-T409 VanDerWaalsContact OG-OG1 3.06Å; S406-G410 WeakPolarHBondContact O-CA 3.39Å; S406-G410 PolarHBondContact O-N 2.8Å; S406-K411 PolarHBondContact N-O 3.38Å
407	A	97.1	Very high	98.2	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.008	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-24.6	173.6	0	0	0	0	0	112.8	F388 N391 I393	F388-A407 HydrophobicContact CE2-CB 3.73Å; F388-A407 HydrophobicContact CZ-CB 4.27Å; N391-A407 PolarHBondContact O-N 3.42Å; I393-A407 HydrophobicContact CD1-CB 3.71Å; I393-A407 HydrophobicContact CG1-CB 4.03Å
408	V	96.3	Very high	98.2	Very high	77 Å²	77	44.4 Å²	44.4	47%	0.467	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-50	179.4	-178.1	0	0	0	0	110.9	K373 N391 S406	K373-V408 WeakPolarHBondContact CE-O 3.47Å; K373-V408 PolarHBondContact NZ-O 2.94Å; N391-V408 HydrophobicContact CB-CG2 4.07Å; N391-V408 VanDerWaalsContact OD1-CG2 3.23Å; N391-V408 WeakPolarHBondContact OD1-CG2 3.24Å; S406-V408 PolarHBondContact O-N 2.66Å; S406-V408 VanDerWaalsContact O-N 3.16Å; S406-V408 PolarHBondContact OG-N 3.45Å
409	T	97.3	Very high	98.2	Very high	81 Å²	81	42.9 Å²	42.9	50%	0.497	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-17	-169.9	62.1	0	0	0	0	114.7	S406 K411	S406-T409 WeakPolarHBondContact CB-OG1 3.43Å; S406-T409 PolarHBondContact O-N 3.42Å; S406-T409 PolarHBondContact OG-N 3.2Å; S406-T409 PolarHBondContact OG-OG1 3.03Å; S406-T409 VanDerWaalsContact OG-OG1 3.06Å; T409-K411 VanDerWaalsContact C-N 3.25Å; T409-K411 PolarHBondContact O-N 3.03Å; T409-K411 PolarHBondContact OG1-N 2.9Å
410	G	96.6	Very high	98.2	Very high	18 Å²	18	47.3 Å²	47.3	19%	0.186	27%	0.271	C	S	.	.			trans	76.7	6.4	-173.3	0	0	0	0	0	114.4	L375 S406	L375-G410 WeakPolarHBondContact CD2-O 3.36Å; L375-G410 WeakPolarHBondContact CG-O 3.5Å; S406-G410 WeakPolarHBondContact O-CA 3.39Å; S406-G410 PolarHBondContact O-N 2.8Å
411	K	98.1	Very high	98.2	Very high	146 Å²	146	44.5 Å²	44.5	64%	0.635	26%	0.258	S	S	*	.			trans	-85.7	141.4	179.2	-65.6	-166.3	173.3	-166	0	111.9	W405 S406 T409	W405-K411 WeakPolarHBondContact CA-O 3.32Å; S406-K411 PolarHBondContact N-O 3.38Å; T409-K411 VanDerWaalsContact C-N 3.25Å; T409-K411 PolarHBondContact O-N 3.03Å; T409-K411 PolarHBondContact OG1-N 2.9Å
412	C	98.4	Very high	98.2	Very high	55 Å²	55	44 Å²	44	37%	0.372	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	137.6	156.3	-168.2	0	0	0	0	108.7	W405	W405-C412 HydrophobicContact CD2-CB 4.43Å; W405-C412 VanDerWaalsContact CE3-CA 3.48Å; W405-C412 HydrophobicContact CE3-CB 3.58Å; W405-C412 HydrophobicContact CH2-CB 4.4Å; W405-C412 HydrophobicContact CZ3-CB 3.57Å
413	L	98.2	Very high	98.2	Very high	53 Å²	53	44 Å²	44	28%	0.277	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	-45.3	178	-57.2	178	0	0	0	110.2	V404	V404-L413 WeakPolarHBondContact O-CA 3.36Å; V404-L413 WeakPolarHBondContact O-CB 3.35Å; V404-L413 PolarHBondContact O-N 2.82Å
414	R	98.3	Very high	98.2	Very high	94 Å²	94	46.7 Å²	46.7	36%	0.355	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	145.9	179	-54.7	-65.9	171.5	-116.1	3.6	109.8	K403 V404 L416 E448 T449	K403-R414 WeakPolarHBondContact CA-O 3.46Å; V404-R414 HydrophobicContact CB-CB 4.21Å; V404-R414 HydrophobicContact CG2-CB 4.25Å; V404-R414 PolarHBondContact N-O 2.92Å; V404-R414 PolarHBondContact O-N 2.72Å; R414-L416 HydrophobicContact CB-CD2 4.04Å; R414-E448 PolarHBondContact NE-O 2.91Å; R414-E448 PolarHBondContact NH2-O 2.86Å; R414-T449 WeakPolarHBondContact CD-O 2.99Å; R414-T449 PolarHBondContact NE-O 3.28Å
415	T	98.7	Very high	98.2	Very high	63 Å²	63	47.1 Å²	47.1	39%	0.387	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.5	154.6	-58.6	0	0	0	0	106.8	T401 L402 K403 V417	T401-T415 HydrophobicContact CG2-CG2 3.96Å; L402-T415 CarbonylContact O-C 3.58Å; L402-T415 WeakPolarHBondContact O-CA 3.33Å; K403-T415 HydrophobicContact CG-CG2 3.98Å; T415-V417 HydrophobicContact CG2-CG2 3.77Å
416	L	98.8	Very high	98.2	Very high	1 Å²	1	47 Å²	47	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	108.1	177.5	-49.6	-175.5	0	0	0	107.2	T401 L402 V404 R414 I433 W445	T401-L416 WeakPolarHBondContact CA-O 3.48Å; T401-L416 WeakPolarHBondContact CB-O 3.4Å; L402-L416 HydrophobicContact CB-CB 4.16Å; L402-L416 HydrophobicContact CB-CD1 4.12Å; L402-L416 HydrophobicContact CB-CG 4.33Å; L402-L416 HydrophobicContact CD1-CB 4.48Å; L402-L416 PolarHBondContact N-O 3.05Å; L402-L416 PolarHBondContact O-N 3.11Å; V404-L416 HydrophobicContact CG2-CD1 3.96Å; V404-L416 HydrophobicContact CG2-CD2 4.22Å; V404-L416 HydrophobicContact CG2-CG 4.05Å; R414-L416 HydrophobicContact CB-CD2 4.04Å; L416-I433 HydrophobicContact CD1-CD1 3.98Å; L416-I433 HydrophobicContact CD1-CG2 4.31Å; L416-W445 HydrophobicContact CB-CD2 4.04Å; L416-W445 HydrophobicContact CB-CE3 3.8Å; L416-W445 HydrophobicContact CB-CH2 4.14Å; L416-W445 HydrophobicContact CB-CZ2 4.34Å; L416-W445 HydrophobicContact CB-CZ3 3.86Å; L416-W445 HydrophobicContact CD1-CB 3.94Å; L416-W445 HydrophobicContact CD1-CD2 3.98Å; L416-W445 HydrophobicContact CD1-CE3 4.35Å; L416-W445 HydrophobicContact CD1-CG 3.81Å; L416-W445 HydrophobicContact CD2-CE3 4.25Å; L416-W445 HydrophobicContact CG-CD2 4.44Å; L416-W445 HydrophobicContact CG-CE3 4.35Å
417	V	98.6	Very high	98.2	Very high	105 Å²	105	48.4 Å²	48.4	64%	0.636	27%	0.274	S	S	*	.			trans	-114.6	139.7	-178.4	-174.9	0	0	0	0	108.2	T401 T415 W445	T401-V417 HydrophobicContact CG2-CG2 4.15Å; T415-V417 HydrophobicContact CG2-CG2 3.77Å; V417-W445 WeakPolarHBondContact O-CH2 3.44Å
418	G	98.4	Very high	98.2	Very high	37 Å²	37	49.4 Å²	49.4	38%	0.381	28%	0.279	S	S	.	.			trans	142.1	-2.6	178.1	0	0	0	0	0	115.6	K443	G418-K443 WeakPolarHBondContact O-CE 3.38Å; G418-K443 PolarHBondContact O-NZ 2.98Å
419	H	98.8	Very high	98	Very high	11 Å²	11	49.8 Å²	49.8	5%	0.051	27%	0.272	C	S	.	.			trans	-77.4	150.1	154.9	-82.9	-63.5	0	0	0	109.8	S435 S437 D439 T441 K443	H419-S435 PolarHBondContact CD2-OG 2.99Å; H419-S435 PolarHBondContact NE2-OG 3.35Å; H419-S437 VanDerWaalsContact ND1-CB 3.28Å; H419-S437 WeakPolarHBondContact ND1-CB 3.37Å; H419-D439 WeakPolarHBondContact CA-OD2 3.26Å; H419-D439 WeakPolarHBondContact CB-OD2 3.38Å; H419-D439 IonicContact CE1-OD1 2.85Å; H419-D439 IonicContact CE1-OD2 3.47Å; H419-D439 IonicContact CG-OD2 3.2Å; H419-D439 VanDerWaalsContact ND1-CG 3.33Å; H419-D439 IonicContact ND1-OD1 2.8Å; H419-D439 PolarHBondContact ND1-OD1 3.21Å; H419-D439 IonicContact ND1-OD2 2.82Å; H419-D439 PolarHBondContact ND1-OD2 2.99Å; H419-T441 PolarHBondContact CE1-OG1 2.86Å; H419-T441 PolarHBondContact ND1-OG1 2.97Å; H419-K443 WeakPolarHBondContact ND1-CE 3.5Å
420	T	98.7	Very high	97.6	Very high	123 Å²	123	51.8 Å²	51.8	76%	0.755	28%	0.28	S	S	*	.	S	Bend	trans	-111.4	24.5	177.3	62.7	0	0	0	0	112.1	D439	T420-D439 PolarHBondContact N-OD2 2.63Å; T420-D439 WeakPolarHBondContact OG1-CB 3.3Å
421	G	98.6	Very high	97.4	Very high	7 Å²	7	53.7 Å²	53.7	7%	0.072	29%	0.286	C	S	.	.	S	Bend	trans	-169.3	159.4	-178.4	0	0	0	0	0	110.7	N400 V423 S437 T438	N400-G421 WeakPolarHBondContact OD1-CA 3.49Å; N400-G421 PolarHBondContact OD1-N 2.69Å; N400-G421 PolarHBondContact OD1-O 2.75Å; G421-V423 PolarHBondContact O-N 2.71Å; G421-S437 PolarHBondContact O-OG 2.68Å; G421-T438 VanDerWaalsContact CA-OG1 3.3Å; G421-T438 WeakPolarHBondContact CA-OG1 3.26Å
422	G	98.7	Very high	97.4	Very high	6 Å²	6	49.2 Å²	49.2	6%	0.062	27%	0.268	C	S	.	.			trans	-56.1	135.6	-172.1	0	0	0	0	0	112.6	N400 S437 T438	N400-G422 PolarHBondContact OD1-N 2.91Å; G422-S437 CarbonylContact O-C 3.48Å; G422-S437 VanDerWaalsContact O-CA 3.24Å; G422-S437 WeakPolarHBondContact O-CA 3.46Å; G422-S437 PolarHBondContact O-OG 3.4Å; G422-T438 PolarHBondContact N-OG1 3.39Å; G422-T438 VanDerWaalsContact N-OG1 3.08Å; G422-T438 PolarHBondContact O-N 3.17Å
423	V	98.9	Very high	97.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	131.4	176.4	-175.8	0	0	0	0	108.2	T384 S397 L402 G421	T384-V423 WeakPolarHBondContact CB-O 3.46Å; T384-V423 WeakPolarHBondContact CG2-O 3.44Å; T384-V423 PolarHBondContact OG1-O 2.86Å; S397-V423 WeakPolarHBondContact O-CB 3.41Å; S397-V423 PolarHBondContact O-N 2.9Å; L402-V423 HydrophobicContact CD1-CG1 4.2Å; L402-V423 HydrophobicContact CD1-CG2 3.82Å; L402-V423 HydrophobicContact CD2-CG1 4.19Å; L402-V423 HydrophobicContact CG-CG1 4.15Å; L402-V423 HydrophobicContact CG-CG2 4.24Å; G421-V423 PolarHBondContact O-N 2.71Å
424	W	98.8	Very high	97.4	Very high	81 Å²	81	44 Å²	44	31%	0.307	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	-15.7	-175.6	-81.4	96.4	0	0	0	114.8	T384 G436 R464	T384-W424 HydrophobicContact CG2-CD2 4.07Å; T384-W424 HydrophobicContact CG2-CE3 3.85Å; T384-W424 HydrophobicContact CG2-CH2 4.24Å; T384-W424 HydrophobicContact CG2-CZ2 4.41Å; T384-W424 HydrophobicContact CG2-CZ3 3.95Å; W424-G436 PolarHBondContact N-O 2.99Å; W424-R464 PolarHBondContact O-NH1 3.34Å
425	S	98.5	Very high	97.5	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.063	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	149.1	176	60.9	0	0	0	0	111.2	S435 G436 V463	S425-S435 CarbonylContact O-C 3.6Å; S425-S435 WeakPolarHBondContact O-CA 3.38Å; S425-G436 PolarHBondContact N-O 2.94Å; S425-G436 PolarHBondContact O-N 2.97Å; S425-V463 PolarHBondContact OG-O 2.75Å; S425-V463 VanDerWaalsContact OG-O 3.11Å
426	S	98.7	Very high	97.5	Very high	7 Å²	7	36.6 Å²	36.6	5%	0.049	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	153.9	176.7	57.9	0	0	0	0	112.7	C385 Q387 I434	C385-S426 WeakPolarHBondContact CB-OG 3.29Å; C385-S426 PolarHBondContact SG-OG 3.11Å; Q387-S426 PolarHBondContact NE2-O 2.92Å; S426-I434 CarbonylContact C-O 3.55Å; S426-I434 WeakPolarHBondContact CA-O 3.42Å; S426-I434 VanDerWaalsContact CB-O 3.29Å; S426-I434 WeakPolarHBondContact CB-O 3.28Å
427	Q	98.6	Very high	97.5	Very high	41 Å²	41	36.5 Å²	36.5	19%	0.192	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	158	171.6	-67.8	-67.8	-0.5	0	0	109.8	I433 I434 M466 L468	Q427-I433 WeakPolarHBondContact O-CA 3.22Å; Q427-I434 PolarHBondContact N-O 2.79Å; Q427-I434 PolarHBondContact O-N 2.94Å; Q427-M466 HydrophobicContact CB-SD 4.24Å; Q427-M466 HydrophobicContact CG-CG 3.88Å; Q427-M466 HydrophobicContact CG-SD 3.92Å; Q427-M466 PolarHBondContact NE2-O 2.81Å; Q427-L468 HydrophobicContact CB-CB 3.74Å; Q427-L468 HydrophobicContact CB-CD2 3.88Å; Q427-L468 HydrophobicContact CB-CG 4.47Å; Q427-L468 HydrophobicContact CG-CB 3.89Å
428	M	96.3	Very high	97.5	Very high	22 Å²	22	34.1 Å²	34.1	11%	0.108	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	135.6	177.3	173.5	174.5	46.4	0	0	110.5	Q387 C389 R392 V394 I432 I433	Q387-M428 HydrophobicContact CB-CB 4.27Å; Q387-M428 HydrophobicContact CB-CE 3.85Å; C389-M428 HydrophobicContact CB-CE 3.67Å; C389-M428 HydrophobicContact CB-CG 4.4Å; C389-M428 HydrophobicContact CB-SD 4.19Å; R392-M428 HydrophobicContact CB-SD 4.23Å; V394-M428 HydrophobicContact CB-CE 4.39Å; V394-M428 HydrophobicContact CG2-CE 3.74Å; V394-M428 HydrophobicContact CG2-SD 3.53Å; V394-M428 VanDerWaalsContact CG2-SD 3.53Å; M428-I432 WeakPolarHBondContact CA-O 3.46Å; M428-I433 HydrophobicContact CB-CG1 4.31Å; M428-I433 HydrophobicContact CG-CG1 4.09Å; M428-I433 HydrophobicContact SD-CG1 4.21Å
429	R	93.3	Very high	97.5	Very high	85 Å²	85	33.7 Å²	33.7	32%	0.321	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	130.8	161.3	-161.1	-169.1	-55.9	110.7	4.4	109.8	N431 I432 L468 E470	R429-N431 PolarHBondContact O-N 3.47Å; R429-I432 PolarHBondContact N-O 2.97Å; R429-I432 PolarHBondContact O-N 3.15Å; R429-L468 HydrophobicContact CB-CD2 4.37Å; R429-L468 PolarHBondContact NH2-O 2.74Å; R429-E470 VanDerWaalsContact CZ-O 3.26Å; R429-E470 PolarHBondContact NH1-O 2.93Å; R429-E470 PolarHBondContact NH2-O 3.33Å
430	D	87.3	Confident	97.5	Very high	123 Å²	123	40.1 Å²	40.1	66%	0.658	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	-94.8	178.8	-54.2	-51.4	0	0	0	113.4
431	N	93.8	Very high	97.5	Very high	59 Å²	59	34.6 Å²	34.6	32%	0.316	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	4.1	-179.8	-167.3	54	0	0	0	113.6	R429 N446 A447 E448	R429-N431 PolarHBondContact O-N 3.47Å; N431-N446 PolarHBondContact ND2-OD1 2.83Å; N431-A447 WeakPolarHBondContact O-CB 3.44Å; N431-A447 PolarHBondContact O-N 2.9Å; N431-E448 WeakPolarHBondContact OD1-CB 3.36Å; N431-E448 PolarHBondContact OD1-N 3Å
432	I	97.4	Very high	97.5	Very high	51 Å²	51	34.3 Å²	34.3	26%	0.262	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	127.6	176.3	-58.7	-59.5	0	0	0	109.5	M428 R429 I434 V444 W445 I453	M428-I432 WeakPolarHBondContact CA-O 3.46Å; R429-I432 PolarHBondContact N-O 2.97Å; R429-I432 PolarHBondContact O-N 3.15Å; I432-I434 HydrophobicContact CG2-CG1 4.35Å; I432-V444 HydrophobicContact CG2-CG1 3.73Å; I432-W445 WeakPolarHBondContact CA-O 3.44Å; I432-I453 HydrophobicContact CD1-CD1 3.84Å
433	I	98.6	Very high	97.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	143.4	171.4	-65.1	163.4	0	0	0	107.9	V394 L402 V404 L416 Q427 M428 V444 W445 A447	V394-I433 HydrophobicContact CG1-CD1 4.21Å; V394-I433 HydrophobicContact CG1-CG2 4.26Å; V394-I433 HydrophobicContact CG2-CD1 3.47Å; V394-I433 VanDerWaalsContact CG2-CD1 3.47Å; V394-I433 HydrophobicContact CG2-CG1 3.96Å; L402-I433 HydrophobicContact CD2-CG2 4.33Å; V404-I433 HydrophobicContact CG2-CD1 3.61Å; L416-I433 HydrophobicContact CD1-CD1 3.98Å; L416-I433 HydrophobicContact CD1-CG2 4.31Å; Q427-I433 WeakPolarHBondContact O-CA 3.22Å; M428-I433 HydrophobicContact CB-CG1 4.31Å; M428-I433 HydrophobicContact CG-CG1 4.09Å; M428-I433 HydrophobicContact SD-CG1 4.21Å; I433-V444 CarbonylContact O-C 3.55Å; I433-V444 WeakPolarHBondContact O-CA 3.49Å; I433-W445 HydrophobicContact CB-CB 4.3Å; I433-W445 PolarHBondContact N-O 2.78Å; I433-W445 PolarHBondContact O-N 2.95Å; I433-A447 HydrophobicContact CD1-CB 3.52Å; I433-A447 HydrophobicContact CG1-CB 4Å
434	I	98.8	Very high	97.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	137	172.1	-46.2	178.4	0	0	0	107.6	S426 Q427 I432 L442 K443 M466 L468 V473 I487	S426-I434 CarbonylContact C-O 3.55Å; S426-I434 WeakPolarHBondContact CA-O 3.42Å; S426-I434 VanDerWaalsContact CB-O 3.29Å; S426-I434 WeakPolarHBondContact CB-O 3.28Å; Q427-I434 PolarHBondContact N-O 2.79Å; Q427-I434 PolarHBondContact O-N 2.94Å; I432-I434 HydrophobicContact CG2-CG1 4.35Å; I434-L442 HydrophobicContact CG2-CD2 4.06Å; I434-K443 CarbonylContact C-O 3.53Å; I434-K443 WeakPolarHBondContact CA-O 3.36Å; I434-M466 HydrophobicContact CB-SD 4.14Å; I434-M466 HydrophobicContact CG2-CE 4.12Å; I434-M466 HydrophobicContact CG2-SD 3.93Å; I434-L468 HydrophobicContact CD1-CD1 3.82Å; I434-L468 HydrophobicContact CD1-CD2 3.85Å; I434-L468 HydrophobicContact CD1-CG 4.28Å; I434-L468 HydrophobicContact CG1-CD2 4.45Å; I434-V473 HydrophobicContact CD1-CB 3.74Å; I434-V473 HydrophobicContact CD1-CG1 4Å; I434-V473 HydrophobicContact CD1-CG2 4.02Å; I434-V473 HydrophobicContact CG2-CG1 4.47Å; I434-V473 HydrophobicContact CG2-CG2 4.41Å; I434-I487 HydrophobicContact CD1-CB 4.44Å; I434-I487 HydrophobicContact CD1-CG2 3.62Å
435	S	98.9	Very high	97.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153	177.5	57.5	0	0	0	0	111.5	H419 S425 L442 K443 W445	H419-S435 PolarHBondContact CD2-OG 2.99Å; H419-S435 PolarHBondContact NE2-OG 3.35Å; S425-S435 CarbonylContact O-C 3.6Å; S425-S435 WeakPolarHBondContact O-CA 3.38Å; S435-L442 CarbonylContact O-C 3.53Å; S435-L442 WeakPolarHBondContact O-CA 3.42Å; S435-L442 WeakPolarHBondContact O-CB 3.18Å; S435-K443 PolarHBondContact N-O 2.86Å; S435-K443 PolarHBondContact O-N 3.38Å; S435-W445 PolarHBondContact OG-NE1 2.94Å
436	G	98.9	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137.4	176.2	0	0	0	0	0	110.7	W424 S425 M466	W424-G436 PolarHBondContact N-O 2.99Å; S425-G436 PolarHBondContact N-O 2.94Å; S425-G436 PolarHBondContact O-N 2.97Å; G436-M466 VanDerWaalsContact N-CE 3.32Å
437	S	98.9	Very high	97.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	168.3	-163.2	166.6	0	0	0	0	113.4	H419 G421 G422 D439 R440 T441 V463	H419-S437 VanDerWaalsContact ND1-CB 3.28Å; H419-S437 WeakPolarHBondContact ND1-CB 3.37Å; G421-S437 PolarHBondContact O-OG 2.68Å; G422-S437 CarbonylContact O-C 3.48Å; G422-S437 VanDerWaalsContact O-CA 3.24Å; G422-S437 WeakPolarHBondContact O-CA 3.46Å; G422-S437 PolarHBondContact O-OG 3.4Å; S437-D439 WeakPolarHBondContact CB-OD1 3.22Å; S437-D439 PolarHBondContact O-N 2.75Å; S437-D439 VanDerWaalsContact OG-CG 3.27Å; S437-D439 PolarHBondContact OG-N 2.84Å; S437-D439 PolarHBondContact OG-OD1 2.88Å; S437-R440 PolarHBondContact O-N 3.4Å; S437-T441 PolarHBondContact N-O 2.84Å; S437-V463 PolarHBondContact O-N 2.63Å
438	T	98.9	Very high	97.3	Very high	55 Å²	55	34.1 Å²	34.1	34%	0.337	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-19.8	162.8	58	0	0	0	0	113.1	G421 G422 R440 T462	G421-T438 VanDerWaalsContact CA-OG1 3.3Å; G421-T438 WeakPolarHBondContact CA-OG1 3.26Å; G422-T438 PolarHBondContact N-OG1 3.39Å; G422-T438 VanDerWaalsContact N-OG1 3.08Å; G422-T438 PolarHBondContact O-N 3.17Å; T438-R440 PolarHBondContact O-N 3.16Å; T438-T462 HydrophobicContact CG2-CG2 3.89Å
439	D	98.8	Very high	97.4	Very high	27 Å²	27	36.4 Å²	36.4	14%	0.144	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	5.3	174.8	77.9	12.4	0	0	0	114.7	H419 T420 S437 T441	H419-D439 WeakPolarHBondContact CA-OD2 3.26Å; H419-D439 WeakPolarHBondContact CB-OD2 3.38Å; H419-D439 IonicContact CE1-OD1 2.85Å; H419-D439 IonicContact CE1-OD2 3.47Å; H419-D439 IonicContact CG-OD2 3.2Å; H419-D439 VanDerWaalsContact ND1-CG 3.33Å; H419-D439 IonicContact ND1-OD1 2.8Å; H419-D439 PolarHBondContact ND1-OD1 3.21Å; H419-D439 IonicContact ND1-OD2 2.82Å; H419-D439 PolarHBondContact ND1-OD2 2.99Å; T420-D439 PolarHBondContact N-OD2 2.63Å; T420-D439 WeakPolarHBondContact OG1-CB 3.3Å; S437-D439 WeakPolarHBondContact CB-OD1 3.22Å; S437-D439 PolarHBondContact O-N 2.75Å; S437-D439 VanDerWaalsContact OG-CG 3.27Å; S437-D439 PolarHBondContact OG-N 2.84Å; S437-D439 PolarHBondContact OG-OD1 2.88Å; D439-T441 PolarHBondContact O-N 3.38Å; D439-T441 WeakPolarHBondContact OD1-CB 3.46Å; D439-T441 PolarHBondContact OD1-N 3.33Å; D439-T441 PolarHBondContact OD1-OG1 2.77Å
440	R	98.8	Very high	97.6	Very high	147 Å²	147	33.3 Å²	33.3	56%	0.555	17%	0.172	S	C	*	.	S	Bend	trans	71.4	1.3	174.8	-43.8	161.2	-180	173.4	-1.7	113.8	S437 T438 H459 T460 S461	S437-R440 PolarHBondContact O-N 3.4Å; T438-R440 PolarHBondContact O-N 3.16Å; R440-H459 WeakPolarHBondContact O-CB 3.4Å; R440-T460 WeakPolarHBondContact CD-O 3.43Å; R440-T460 PolarHBondContact NE-O 2.92Å; R440-S461 WeakPolarHBondContact CA-O 3.41Å
441	T	98.9	Very high	98.1	Very high	7 Å²	7	32.1 Å²	32.1	4%	0.043	16%	0.163	C	C	.	.			trans	-99.1	157.8	176.1	73.8	0	0	0	0	112.4	H419 S437 D439 K443 T455 L456 Y457	H419-T441 PolarHBondContact CE1-OG1 2.86Å; H419-T441 PolarHBondContact ND1-OG1 2.97Å; S437-T441 PolarHBondContact N-O 2.84Å; D439-T441 PolarHBondContact O-N 3.38Å; D439-T441 WeakPolarHBondContact OD1-CB 3.46Å; D439-T441 PolarHBondContact OD1-N 3.33Å; D439-T441 PolarHBondContact OD1-OG1 2.77Å; T441-K443 WeakPolarHBondContact OG1-CE 3.46Å; T441-T455 HydrophobicContact CG2-CG2 3.77Å; T441-L456 WeakPolarHBondContact CA-O 3.48Å; T441-Y457 HydrophobicContact CG2-CD1 3.79Å; T441-Y457 HydrophobicContact CG2-CE1 3.63Å
442	L	98.9	Very high	98.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	154	150.7	-69	84.9	0	0	0	109.5	I434 S435 T455 L456 V463 M466 V473 W485	I434-L442 HydrophobicContact CG2-CD2 4.06Å; S435-L442 CarbonylContact O-C 3.53Å; S435-L442 WeakPolarHBondContact O-CA 3.42Å; S435-L442 WeakPolarHBondContact O-CB 3.18Å; L442-T455 CarbonylContact O-C 3.54Å; L442-T455 WeakPolarHBondContact O-CA 3.31Å; L442-L456 HydrophobicContact CB-CB 4.04Å; L442-L456 HydrophobicContact CB-CD1 3.92Å; L442-L456 HydrophobicContact CB-CG 4.08Å; L442-L456 PolarHBondContact N-O 3.01Å; L442-L456 VanDerWaalsContact N-O 3.14Å; L442-L456 PolarHBondContact O-N 2.86Å; L442-V463 HydrophobicContact CD1-CB 4.46Å; L442-V463 HydrophobicContact CD1-CG1 3.79Å; L442-V463 HydrophobicContact CD1-CG2 3.88Å; L442-V463 HydrophobicContact CG-CG1 3.98Å; L442-M466 HydrophobicContact CD2-CE 3.52Å; L442-M466 HydrophobicContact CG-CE 4.04Å; L442-V473 HydrophobicContact CD2-CG1 4.41Å; L442-W485 HydrophobicContact CD1-CZ2 4.03Å
443	K	98.9	Very high	98.4	Very high	18 Å²	18	33 Å²	33	8%	0.078	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.9	170.1	-69.6	174.5	-168	-91.6	0	110.7	G418 H419 I434 S435 T441 W445 H454 T455	G418-K443 WeakPolarHBondContact O-CE 3.38Å; G418-K443 PolarHBondContact O-NZ 2.98Å; H419-K443 WeakPolarHBondContact ND1-CE 3.5Å; I434-K443 CarbonylContact C-O 3.53Å; I434-K443 WeakPolarHBondContact CA-O 3.36Å; S435-K443 PolarHBondContact N-O 2.86Å; S435-K443 PolarHBondContact O-N 3.38Å; T441-K443 WeakPolarHBondContact OG1-CE 3.46Å; K443-W445 HydrophobicContact CB-CD2 4.49Å; K443-W445 HydrophobicContact CB-CZ2 3.64Å; K443-W445 HydrophobicContact CD-CH2 4.08Å; K443-W445 HydrophobicContact CD-CZ2 3.65Å; K443-W445 HydrophobicContact CG-CZ2 4.25Å; K443-W445 PolarHBondContact O-NE1 2.94Å; K443-H454 WeakPolarHBondContact CA-O 3.34Å; K443-T455 HydrophobicContact CG-CG2 4.01Å; K443-T455 PolarHBondContact NZ-OG1 2.73Å
444	V	98.8	Very high	98.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.8	174.6	-173.1	0	0	0	0	107.7	I432 I433 I453 H454 L456	I432-V444 HydrophobicContact CG2-CG1 3.73Å; I433-V444 CarbonylContact O-C 3.55Å; I433-V444 WeakPolarHBondContact O-CA 3.49Å; V444-I453 HydrophobicContact CG1-CD1 4.46Å; V444-I453 PolarHBondContact O-N 3.41Å; V444-H454 HydrophobicContact CB-CB 4.12Å; V444-H454 HydrophobicContact CG2-CB 4.17Å; V444-H454 PolarHBondContact N-O 2.89Å; V444-H454 PolarHBondContact O-N 2.88Å; V444-L456 HydrophobicContact CG2-CD1 4.13Å; V444-L456 HydrophobicContact CG2-CD2 4.38Å; V444-L456 HydrophobicContact CG2-CG 4.38Å
445	W	98.8	Very high	98.4	Very high	3 Å²	3	37.1 Å²	37.1	1%	0.011	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.2	-171.6	-44.7	79.6	0	0	0	112.4	L402 L416 V417 I432 I433 S435 K443 E451 C452	L402-W445 HydrophobicContact CD1-CZ2 4.49Å; L416-W445 HydrophobicContact CB-CD2 4.04Å; L416-W445 HydrophobicContact CB-CE3 3.8Å; L416-W445 HydrophobicContact CB-CH2 4.14Å; L416-W445 HydrophobicContact CB-CZ2 4.34Å; L416-W445 HydrophobicContact CB-CZ3 3.86Å; L416-W445 HydrophobicContact CD1-CB 3.94Å; L416-W445 HydrophobicContact CD1-CD2 3.98Å; L416-W445 HydrophobicContact CD1-CE3 4.35Å; L416-W445 HydrophobicContact CD1-CG 3.81Å; L416-W445 HydrophobicContact CD2-CE3 4.25Å; L416-W445 HydrophobicContact CG-CD2 4.44Å; L416-W445 HydrophobicContact CG-CE3 4.35Å; V417-W445 WeakPolarHBondContact O-CH2 3.44Å; I432-W445 WeakPolarHBondContact CA-O 3.44Å; I433-W445 HydrophobicContact CB-CB 4.3Å; I433-W445 PolarHBondContact N-O 2.78Å; I433-W445 PolarHBondContact O-N 2.95Å; S435-W445 PolarHBondContact OG-NE1 2.94Å; K443-W445 HydrophobicContact CB-CD2 4.49Å; K443-W445 HydrophobicContact CB-CZ2 3.64Å; K443-W445 HydrophobicContact CD-CH2 4.08Å; K443-W445 HydrophobicContact CD-CZ2 3.65Å; K443-W445 HydrophobicContact CG-CZ2 4.25Å; K443-W445 PolarHBondContact O-NE1 2.94Å; W445-E451 VanDerWaalsContact CA-O 3.24Å; W445-E451 WeakPolarHBondContact CA-O 3.45Å; W445-C452 HydrophobicContact CD2-CB 4.33Å; W445-C452 HydrophobicContact CE3-CB 3.69Å; W445-C452 HydrophobicContact CH2-CB 4.27Å; W445-C452 HydrophobicContact CZ3-CB 3.66Å
446	N	98.3	Very high	98.4	Very high	28 Å²	28	37.2 Å²	37.2	15%	0.15	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	116.8	167.4	178.1	-19.8	0	0	0	109.4	N431 E448 T449 G450 E451 I453	N431-N446 PolarHBondContact ND2-OD1 2.83Å; N446-E448 VanDerWaalsContact C-N 3.26Å; N446-E448 PolarHBondContact O-N 2.94Å; N446-E448 PolarHBondContact OD1-N 2.82Å; N446-T449 WeakPolarHBondContact CB-OG1 3.37Å; N446-T449 WeakPolarHBondContact ND2-CG2 3.39Å; N446-T449 PolarHBondContact ND2-OG1 2.77Å; N446-T449 VanDerWaalsContact ND2-OG1 3.15Å; N446-T449 PolarHBondContact OD1-N 3.02Å; N446-G450 VanDerWaalsContact O-CA 3.27Å; N446-G450 WeakPolarHBondContact O-CA 3.48Å; N446-G450 PolarHBondContact O-N 2.93Å; N446-E451 HydrophobicContact CB-CG 3.99Å; N446-E451 VanDerWaalsContact CB-OE1 3.31Å; N446-E451 WeakPolarHBondContact CB-OE1 3.31Å; N446-E451 PolarHBondContact N-O 2.74Å; N446-E451 PolarHBondContact ND2-OE1 2.77Å; N446-I453 HydrophobicContact CB-CD1 4.1Å; N446-I453 HydrophobicContact CB-CG1 4.28Å
447	A	96.8	Very high	98.4	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-18.7	-175.1	0	0	0	0	0	114.2	N431 I433	N431-A447 WeakPolarHBondContact O-CB 3.44Å; N431-A447 PolarHBondContact O-N 2.9Å; I433-A447 HydrophobicContact CD1-CB 3.52Å; I433-A447 HydrophobicContact CG1-CB 4Å
448	E	95.9	Very high	98.4	Very high	90 Å²	90	46.7 Å²	46.7	42%	0.421	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-38.7	-179.3	-169.3	60.7	-148.5	0	0	112.6	R392 R414 N431 N446	R392-E448 IonicContact CZ-OE2 2.88Å; R392-E448 IonicContact NE-OE2 3.83Å; R392-E448 IonicContact NH2-OE2 3.54Å; R392-E448 PolarHBondContact NH2-OE2 3.38Å; R414-E448 PolarHBondContact NE-O 2.91Å; R414-E448 PolarHBondContact NH2-O 2.86Å; N431-E448 WeakPolarHBondContact OD1-CB 3.36Å; N431-E448 PolarHBondContact OD1-N 3Å; N446-E448 VanDerWaalsContact C-N 3.26Å; N446-E448 PolarHBondContact O-N 2.94Å; N446-E448 PolarHBondContact OD1-N 2.82Å
449	T	97.7	Very high	98.4	Very high	71 Å²	71	44.6 Å²	44.6	44%	0.436	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-35.9	174.2	59.6	0	0	0	0	111.6	R414 N446 E451	R414-T449 WeakPolarHBondContact CD-O 2.99Å; R414-T449 PolarHBondContact NE-O 3.28Å; N446-T449 WeakPolarHBondContact CB-OG1 3.37Å; N446-T449 WeakPolarHBondContact ND2-CG2 3.39Å; N446-T449 PolarHBondContact ND2-OG1 2.77Å; N446-T449 VanDerWaalsContact ND2-OG1 3.15Å; N446-T449 PolarHBondContact OD1-N 3.02Å; T449-E451 WeakPolarHBondContact CB-OE1 3.23Å; T449-E451 WeakPolarHBondContact CG2-OE1 3.19Å; T449-E451 WeakPolarHBondContact OG1-CG 3.46Å; T449-E451 PolarHBondContact OG1-N 3.31Å; T449-E451 PolarHBondContact OG1-OE1 3.39Å
450	G	97.9	Very high	98.4	Very high	19 Å²	19	48 Å²	48	20%	0.196	25%	0.248	C	C	.	.			trans	88	4.7	-169.3	0	0	0	0	0	114.1	N446	N446-G450 VanDerWaalsContact O-CA 3.27Å; N446-G450 WeakPolarHBondContact O-CA 3.48Å; N446-G450 PolarHBondContact O-N 2.93Å
451	E	98.3	Very high	98.4	Very high	98 Å²	98	42.9 Å²	42.9	46%	0.458	24%	0.235	S	C	.	.			trans	-75.1	146.1	-177.4	83.6	-141.7	122.4	0	0	112.7	W445 N446 T449 I453	W445-E451 VanDerWaalsContact CA-O 3.24Å; W445-E451 WeakPolarHBondContact CA-O 3.45Å; N446-E451 HydrophobicContact CB-CG 3.99Å; N446-E451 VanDerWaalsContact CB-OE1 3.31Å; N446-E451 WeakPolarHBondContact CB-OE1 3.31Å; N446-E451 PolarHBondContact N-O 2.74Å; N446-E451 PolarHBondContact ND2-OE1 2.77Å; T449-E451 WeakPolarHBondContact CB-OE1 3.23Å; T449-E451 WeakPolarHBondContact CG2-OE1 3.19Å; T449-E451 WeakPolarHBondContact OG1-CG 3.46Å; T449-E451 PolarHBondContact OG1-N 3.31Å; T449-E451 PolarHBondContact OG1-OE1 3.39Å; E451-I453 HydrophobicContact CG-CG1 4.24Å
452	C	98.6	Very high	98.4	Very high	53 Å²	53	43.3 Å²	43.3	36%	0.358	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	113.3	164.7	-173.2	0	0	0	0	107.8	W445 H454	W445-C452 HydrophobicContact CD2-CB 4.33Å; W445-C452 HydrophobicContact CE3-CB 3.69Å; W445-C452 HydrophobicContact CH2-CB 4.27Å; W445-C452 HydrophobicContact CZ3-CB 3.66Å; C452-H454 PolarHBondContact SG-O 2.87Å; C452-H454 VanDerWaalsContact SG-O 3.38Å
453	I	98.4	Very high	98.4	Very high	75 Å²	75	43.3 Å²	43.3	39%	0.385	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-47.1	179.6	-50.1	175.7	0	0	0	109.4	I432 V444 N446 E451	I432-I453 HydrophobicContact CD1-CD1 3.84Å; V444-I453 HydrophobicContact CG1-CD1 4.46Å; V444-I453 PolarHBondContact O-N 3.41Å; N446-I453 HydrophobicContact CB-CD1 4.1Å; N446-I453 HydrophobicContact CB-CG1 4.28Å; E451-I453 HydrophobicContact CG-CG1 4.24Å
454	H	98.7	Very high	98.4	Very high	47 Å²	47	44.9 Å²	44.9	22%	0.218	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	141.5	-177.4	-63.3	-62.5	0	0	0	110.7	K443 V444 C452 L456 E488 T489 G490	K443-H454 WeakPolarHBondContact CA-O 3.34Å; V444-H454 HydrophobicContact CB-CB 4.12Å; V444-H454 HydrophobicContact CG2-CB 4.17Å; V444-H454 PolarHBondContact N-O 2.89Å; V444-H454 PolarHBondContact O-N 2.88Å; C452-H454 PolarHBondContact SG-O 2.87Å; C452-H454 VanDerWaalsContact SG-O 3.38Å; H454-L456 HydrophobicContact CB-CD2 3.72Å; H454-E488 PolarHBondContact NE2-O 2.89Å; H454-T489 PolarHBondContact CE1-O 3.49Å; H454-G490 PolarHBondContact NE2-N 2.86Å
455	T	98.8	Very high	98.4	Very high	40 Å²	40	45.4 Å²	45.4	25%	0.245	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.7	160.5	-60.5	0	0	0	0	108.1	T441 L442 K443 Y457	T441-T455 HydrophobicContact CG2-CG2 3.77Å; L442-T455 CarbonylContact O-C 3.54Å; L442-T455 WeakPolarHBondContact O-CA 3.31Å; K443-T455 HydrophobicContact CG-CG2 4.01Å; K443-T455 PolarHBondContact NZ-OG1 2.73Å; T455-Y457 HydrophobicContact CG2-CD2 4.13Å; T455-Y457 HydrophobicContact CG2-CE1 4.17Å; T455-Y457 HydrophobicContact CG2-CE2 3.49Å; T455-Y457 VanDerWaalsContact CG2-CE2 3.49Å; T455-Y457 WeakPolarHBondContact O-CD2 2.94Å
456	L	98.8	Very high	98.4	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	116.6	-174	-40.4	-176.4	0	0	0	109	T441 L442 V444 H454 W485 G490	T441-L456 WeakPolarHBondContact CA-O 3.48Å; L442-L456 HydrophobicContact CB-CB 4.04Å; L442-L456 HydrophobicContact CB-CD1 3.92Å; L442-L456 HydrophobicContact CB-CG 4.08Å; L442-L456 PolarHBondContact N-O 3.01Å; L442-L456 VanDerWaalsContact N-O 3.14Å; L442-L456 PolarHBondContact O-N 2.86Å; V444-L456 HydrophobicContact CG2-CD1 4.13Å; V444-L456 HydrophobicContact CG2-CD2 4.38Å; V444-L456 HydrophobicContact CG2-CG 4.38Å; H454-L456 HydrophobicContact CB-CD2 3.72Å; L456-W485 HydrophobicContact CB-CD2 4.11Å; L456-W485 HydrophobicContact CB-CE3 3.66Å; L456-W485 HydrophobicContact CB-CH2 4.07Å; L456-W485 HydrophobicContact CB-CZ2 4.47Å; L456-W485 HydrophobicContact CB-CZ3 3.65Å; L456-W485 HydrophobicContact CD1-CB 3.9Å; L456-W485 HydrophobicContact CD1-CD2 3.87Å; L456-W485 HydrophobicContact CD1-CE3 4.04Å; L456-W485 HydrophobicContact CD1-CG 3.83Å; L456-W485 HydrophobicContact CG-CE3 4.32Å; L456-G490 WeakPolarHBondContact CD2-O 3.46Å
457	Y	98.8	Very high	98.4	Very high	169 Å²	169	46.7 Å²	46.7	66%	0.663	25%	0.251	S	S	*	.			trans	-107	142	-177.5	-65.7	-88.1	0	0	0	111.1	T441 T455 W485	T441-Y457 HydrophobicContact CG2-CD1 3.79Å; T441-Y457 HydrophobicContact CG2-CE1 3.63Å; T455-Y457 HydrophobicContact CG2-CD2 4.13Å; T455-Y457 HydrophobicContact CG2-CE1 4.17Å; T455-Y457 HydrophobicContact CG2-CE2 3.49Å; T455-Y457 VanDerWaalsContact CG2-CE2 3.49Å; T455-Y457 WeakPolarHBondContact O-CD2 2.94Å; Y457-W485 WeakPolarHBondContact O-CH2 3.42Å; Y457-W485 WeakPolarHBondContact O-CZ3 3.49Å
458	G	98.3	Very high	98.5	Very high	30 Å²	30	47.4 Å²	47.4	31%	0.309	26%	0.255	S	S	.	.			trans	151.1	-24.1	172.6	0	0	0	0	0	114.8	R483	G458-R483 VanDerWaalsContact C-CZ 3.49Å; G458-R483 PolarHBondContact O-NE 2.83Å; G458-R483 PolarHBondContact O-NH2 2.94Å
459	H	98.8	Very high	98.5	Very high	11 Å²	11	45.9 Å²	45.9	5%	0.051	25%	0.248	C	C	.	.			trans	-70.2	148	163.7	-80	-57.7	0	0	0	109.9	R440 V463 S475 S477 D479 T481	R440-H459 WeakPolarHBondContact O-CB 3.4Å; H459-V463 HydrophobicContact CB-CG2 4.23Å; H459-S475 PolarHBondContact CD2-OG 2.76Å; H459-S475 PolarHBondContact NE2-OG 3.21Å; H459-S477 VanDerWaalsContact CE1-CB 3.42Å; H459-S477 WeakPolarHBondContact CE1-CB 3.13Å; H459-S477 WeakPolarHBondContact ND1-CB 3.3Å; H459-D479 WeakPolarHBondContact CA-OD2 3.23Å; H459-D479 VanDerWaalsContact CB-OD2 3.26Å; H459-D479 WeakPolarHBondContact CB-OD2 3.38Å; H459-D479 IonicContact CE1-OD1 3.59Å; H459-D479 IonicContact CG-OD2 3.64Å; H459-D479 IonicContact ND1-OD1 3.33Å; H459-D479 PolarHBondContact ND1-OD1 3.31Å; H459-D479 IonicContact ND1-OD2 3.52Å; H459-D479 PolarHBondContact ND1-OD2 2.9Å; H459-T481 PolarHBondContact CE1-OG1 3.18Å; H459-T481 VanDerWaalsContact CE1-OG1 3.28Å; H459-T481 PolarHBondContact ND1-OG1 3.39Å
460	T	98.8	Very high	98.4	Very high	100 Å²	100	49 Å²	49	61%	0.613	26%	0.257	S	S	*	.	S	Bend	trans	-110.5	-9	-177.9	54	0	0	0	0	112.2	R440 D479	R440-T460 WeakPolarHBondContact CD-O 3.43Å; R440-T460 PolarHBondContact NE-O 2.92Å; T460-D479 PolarHBondContact N-OD2 2.92Å; T460-D479 WeakPolarHBondContact OG1-CB 3.45Å
461	S	98.8	Very high	98.3	Very high	39 Å²	39	53 Å²	53	27%	0.273	27%	0.269	S	S	.	.	S	Bend	trans	-135.4	-172.7	172.9	-162.2	0	0	0	0	111.7	R440 V463 S477 R478 D479	R440-S461 WeakPolarHBondContact CA-O 3.41Å; S461-V463 PolarHBondContact O-N 3.23Å; S461-S477 PolarHBondContact O-OG 3.04Å; S461-R478 WeakPolarHBondContact OG-CB 3.44Å; S461-D479 PolarHBondContact N-OD2 2.87Å
462	T	98.8	Very high	98.3	Very high	15 Å²	15	51.2 Å²	51.2	9%	0.092	26%	0.258	C	S	.	.			trans	-59.1	126.9	-174.2	-61.1	0	0	0	0	112.7	T438 R464 S477 R478	T438-T462 HydrophobicContact CG2-CG2 3.89Å; T462-R464 PolarHBondContact O-N 2.87Å; T462-S477 WeakPolarHBondContact O-CA 3.27Å; T462-S477 PolarHBondContact O-OG 3.32Å; T462-R478 PolarHBondContact O-N 2.95Å
463	V	98.9	Very high	98.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.241	C	C	.	.			trans	-74.5	88.3	175.3	-174	0	0	0	0	110.1	S425 S437 L442 H459 S461 M466	S425-V463 PolarHBondContact OG-O 2.75Å; S425-V463 VanDerWaalsContact OG-O 3.11Å; S437-V463 PolarHBondContact O-N 2.63Å; L442-V463 HydrophobicContact CD1-CB 4.46Å; L442-V463 HydrophobicContact CD1-CG1 3.79Å; L442-V463 HydrophobicContact CD1-CG2 3.88Å; L442-V463 HydrophobicContact CG-CG1 3.98Å; H459-V463 HydrophobicContact CB-CG2 4.23Å; S461-V463 PolarHBondContact O-N 3.23Å; V463-M466 HydrophobicContact CG1-CE 4.49Å
464	R	98.8	Very high	98.3	Very high	51 Å²	51	45.1 Å²	45.1	19%	0.192	22%	0.223	C	C	.	.			trans	-76.7	-34.6	-168.9	-174.4	63.8	-157.2	102.9	-22.2	113.6	W424 T462 G476	W424-R464 PolarHBondContact O-NH1 3.34Å; T462-R464 PolarHBondContact O-N 2.87Å; R464-G476 PolarHBondContact N-O 2.98Å
465	C	98.7	Very high	98.4	Very high	12 Å²	12	42.9 Å²	42.9	8%	0.081	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	158	-175.8	62.8	0	0	0	0	112.4	S475 G476 V506	C465-S475 CarbonylContact O-C 3.59Å; C465-S475 WeakPolarHBondContact O-CA 3.29Å; C465-G476 PolarHBondContact N-O 2.84Å; C465-G476 PolarHBondContact O-N 2.89Å; C465-V506 HydrophobicContact CB-CG1 4.16Å
466	M	98.8	Very high	98.4	Very high	12 Å²	12	41 Å²	41	6%	0.059	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	151.3	174.5	56	167.8	76	0	0	113.2	Q427 I434 G436 L442 V463 V473 V474	Q427-M466 HydrophobicContact CB-SD 4.24Å; Q427-M466 HydrophobicContact CG-CG 3.88Å; Q427-M466 HydrophobicContact CG-SD 3.92Å; Q427-M466 PolarHBondContact NE2-O 2.81Å; I434-M466 HydrophobicContact CB-SD 4.14Å; I434-M466 HydrophobicContact CG2-CE 4.12Å; I434-M466 HydrophobicContact CG2-SD 3.93Å; G436-M466 VanDerWaalsContact N-CE 3.32Å; L442-M466 HydrophobicContact CD2-CE 3.52Å; L442-M466 HydrophobicContact CG-CE 4.04Å; V463-M466 HydrophobicContact CG1-CE 4.49Å; M466-V473 HydrophobicContact CB-CG2 4.03Å; M466-V473 HydrophobicContact SD-CG2 4.3Å; M466-V474 CarbonylContact C-O 3.54Å; M466-V474 WeakPolarHBondContact CA-O 3.13Å; M466-V474 WeakPolarHBondContact CB-O 3.42Å
467	H	98.8	Very high	98.4	Very high	45 Å²	45	40.9 Å²	40.9	21%	0.208	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	141.3	170.8	-163	98.1	0	0	0	111.1	V473 V474 V506 Q507 Y508	H467-V473 CarbonylContact O-C 3.59Å; H467-V473 WeakPolarHBondContact O-CA 3.41Å; H467-V473 WeakPolarHBondContact O-CG2 3.42Å; H467-V474 PolarHBondContact N-O 3.03Å; H467-V474 PolarHBondContact O-N 2.81Å; H467-V506 HydrophobicContact CB-CG1 4.36Å; H467-Q507 PolarHBondContact CE1-OE1 2.93Å; H467-Q507 PolarHBondContact ND1-OE1 3.37Å; H467-Y508 PolarHBondContact CD2-O 2.84Å; H467-Y508 PolarHBondContact NE2-O 2.87Å
468	L	98.3	Very high	98.4	Very high	16 Å²	16	40 Å²	40	8%	0.084	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	102.9	-172.8	169.2	56.5	0	0	0	111.5	Q427 R429 I434 E470 V473 I487	Q427-L468 HydrophobicContact CB-CB 3.74Å; Q427-L468 HydrophobicContact CB-CD2 3.88Å; Q427-L468 HydrophobicContact CB-CG 4.47Å; Q427-L468 HydrophobicContact CG-CB 3.89Å; R429-L468 HydrophobicContact CB-CD2 4.37Å; R429-L468 PolarHBondContact NH2-O 2.74Å; I434-L468 HydrophobicContact CD1-CD1 3.82Å; I434-L468 HydrophobicContact CD1-CD2 3.85Å; I434-L468 HydrophobicContact CD1-CG 4.28Å; I434-L468 HydrophobicContact CG1-CD2 4.45Å; L468-E470 WeakPolarHBondContact CD1-O 3.43Å; L468-V473 HydrophobicContact CD1-CB 4.36Å; L468-I487 HydrophobicContact CD1-CD1 3.91Å; L468-I487 HydrophobicContact CD1-CG2 4.31Å
469	H	97.6	Very high	98.4	Very high	59 Å²	59	40.1 Å²	40.1	27%	0.273	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	124.3	174.7	-170.2	-86.1	0	0	0	111.1	K471 R472 Y508 D509 G510	H469-K471 PolarHBondContact O-N 2.85Å; H469-R472 PolarHBondContact N-O 3.23Å; H469-R472 PolarHBondContact O-N 3.48Å; H469-Y508 HydrophobicContact CB-CD1 3.51Å; H469-Y508 HydrophobicContact CB-CE1 3.8Å; H469-Y508 HydrophobicContact CB-CG 4.25Å; H469-D509 PolarHBondContact NE2-O 2.91Å; H469-G510 WeakPolarHBondContact ND1-CA 3.31Å
470	E	95.3	Very high	98.4	Very high	135 Å²	135	40.4 Å²	40.4	63%	0.631	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	41.3	-124.8	-171.2	-67.5	-178.2	171.4	0	0	112.2	R429 L468 R472	R429-E470 VanDerWaalsContact CZ-O 3.26Å; R429-E470 PolarHBondContact NH1-O 2.93Å; R429-E470 PolarHBondContact NH2-O 3.33Å; L468-E470 WeakPolarHBondContact CD1-O 3.43Å; E470-R472 VanDerWaalsContact C-N 3.27Å; E470-R472 PolarHBondContact O-N 3.04Å
471	K	95.8	Very high	98.4	Very high	104 Å²	104	36.7 Å²	36.7	45%	0.452	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	1.6	-177.7	-60.8	-174.1	175.2	-149.5	0	114.4	H469 I487 E488	H469-K471 PolarHBondContact O-N 2.85Å; K471-I487 VanDerWaalsContact O-CG1 3.3Å; K471-I487 WeakPolarHBondContact O-CG1 3.32Å; K471-I487 WeakPolarHBondContact O-CG2 3.5Å; K471-I487 PolarHBondContact O-N 3.47Å; K471-E488 HydrophobicContact CD-CG 4.43Å; K471-E488 WeakPolarHBondContact CD-OE1 3.39Å; K471-E488 WeakPolarHBondContact CE-OE1 3.4Å; K471-E488 IonicContact NZ-OE1 3.86Å; K471-E488 PolarHBondContact NZ-OE1 3.47Å; K471-E488 IonicContact NZ-OE2 2.89Å; K471-E488 PolarHBondContact NZ-OE2 2.64Å
472	R	98.1	Very high	98.4	Very high	60 Å²	60	34.8 Å²	34.8	23%	0.226	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	135.5	-172.5	-73.5	172.4	170.2	-176.1	-8.2	111.9	H469 E470 W485 L493 Y508 E528	H469-R472 PolarHBondContact N-O 3.23Å; H469-R472 PolarHBondContact O-N 3.48Å; E470-R472 VanDerWaalsContact C-N 3.27Å; E470-R472 PolarHBondContact O-N 3.04Å; R472-W485 WeakPolarHBondContact CA-O 3.39Å; R472-L493 HydrophobicContact CG-CD1 4.04Å; R472-L493 VanDerWaalsContact NE-CD1 3.29Å; R472-Y508 HydrophobicContact CB-CE1 3.92Å; R472-Y508 PolarHBondContact NH1-OH 3.34Å; R472-E528 IonicContact CZ-OE1 3.93Å; R472-E528 IonicContact CZ-OE2 3.7Å; R472-E528 IonicContact NH1-OE1 2.94Å; R472-E528 PolarHBondContact NH1-OE1 2.94Å; R472-E528 IonicContact NH1-OE2 3.41Å; R472-E528 PolarHBondContact NH1-OE2 2.78Å; R472-E528 IonicContact NH2-OE1 3.21Å; R472-E528 PolarHBondContact NH2-OE1 2.81Å; R472-E528 IonicContact NH2-OE2 2.76Å; R472-E528 PolarHBondContact NH2-OE2 3.28Å
473	V	98.8	Very high	98.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	139	169.2	64.3	0	0	0	0	109	I434 L442 M466 H467 L468 W485 I487	I434-V473 HydrophobicContact CD1-CB 3.74Å; I434-V473 HydrophobicContact CD1-CG1 4Å; I434-V473 HydrophobicContact CD1-CG2 4.02Å; I434-V473 HydrophobicContact CG2-CG1 4.47Å; I434-V473 HydrophobicContact CG2-CG2 4.41Å; L442-V473 HydrophobicContact CD2-CG1 4.41Å; M466-V473 HydrophobicContact CB-CG2 4.03Å; M466-V473 HydrophobicContact SD-CG2 4.3Å; H467-V473 CarbonylContact O-C 3.59Å; H467-V473 WeakPolarHBondContact O-CA 3.41Å; H467-V473 WeakPolarHBondContact O-CG2 3.42Å; L468-V473 HydrophobicContact CD1-CB 4.36Å; V473-W485 HydrophobicContact CG1-CB 3.91Å; V473-W485 HydrophobicContact CG1-CG 4.23Å; V473-W485 PolarHBondContact N-O 3.46Å; V473-W485 PolarHBondContact O-N 3.28Å; V473-I487 HydrophobicContact CB-CG2 4.11Å; V473-I487 HydrophobicContact CG1-CG2 3.84Å
474	V	98.9	Very high	98.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.2	169.6	-171.7	0	0	0	0	107.7	M466 H467 L482 R483 V484 V506 Y508 V513	M466-V474 CarbonylContact C-O 3.54Å; M466-V474 WeakPolarHBondContact CA-O 3.13Å; M466-V474 WeakPolarHBondContact CB-O 3.42Å; H467-V474 PolarHBondContact N-O 3.03Å; H467-V474 PolarHBondContact O-N 2.81Å; V474-L482 HydrophobicContact CG1-CB 4.38Å; V474-L482 HydrophobicContact CG1-CD2 4.15Å; V474-R483 CarbonylContact C-O 3.36Å; V474-R483 WeakPolarHBondContact CA-O 3.34Å; V474-V484 HydrophobicContact CG1-CG2 4.35Å; V474-V484 HydrophobicContact CG2-CG1 4.27Å; V474-V484 HydrophobicContact CG2-CG2 4.15Å; V474-V506 HydrophobicContact CB-CG2 4.41Å; V474-V506 HydrophobicContact CG1-CG2 4.03Å; V474-Y508 HydrophobicContact CG2-CD1 3.5Å; V474-Y508 HydrophobicContact CG2-CD2 4.22Å; V474-Y508 HydrophobicContact CG2-CE1 4.05Å; V474-Y508 HydrophobicContact CG2-CG 3.61Å; V474-V513 HydrophobicContact CG1-CG1 3.84Å; V474-V513 HydrophobicContact CG1-CG2 4.21Å; V474-V513 HydrophobicContact CG2-CG2 3.94Å
475	S	98.9	Very high	98.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	144.3	175.7	55.6	0	0	0	0	111.3	H459 C465 L482 R483 W485	H459-S475 PolarHBondContact CD2-OG 2.76Å; H459-S475 PolarHBondContact NE2-OG 3.21Å; C465-S475 CarbonylContact O-C 3.59Å; C465-S475 WeakPolarHBondContact O-CA 3.29Å; S475-L482 CarbonylContact O-C 3.57Å; S475-L482 WeakPolarHBondContact O-CA 3.41Å; S475-L482 WeakPolarHBondContact O-CB 3.1Å; S475-R483 PolarHBondContact N-O 2.9Å; S475-R483 PolarHBondContact O-N 3.37Å; S475-R483 PolarHBondContact OG-O 2.96Å; S475-W485 PolarHBondContact OG-NE1 3.16Å
476	G	98.9	Very high	98.4	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.6	168.8	0	0	0	0	0	110.3	R464 C465	R464-G476 PolarHBondContact N-O 2.98Å; C465-G476 PolarHBondContact N-O 2.84Å; C465-G476 PolarHBondContact O-N 2.89Å
477	S	98.9	Very high	98.3	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.158	C	C	.	.			trans	-122.2	164.5	-168.8	174.9	0	0	0	0	112.9	H459 S461 T462 D479 A480 T481 V503	H459-S477 VanDerWaalsContact CE1-CB 3.42Å; H459-S477 WeakPolarHBondContact CE1-CB 3.13Å; H459-S477 WeakPolarHBondContact ND1-CB 3.3Å; S461-S477 PolarHBondContact O-OG 3.04Å; T462-S477 WeakPolarHBondContact O-CA 3.27Å; T462-S477 PolarHBondContact O-OG 3.32Å; S477-D479 VanDerWaalsContact CB-CG 3.46Å; S477-D479 VanDerWaalsContact CB-OD1 3.31Å; S477-D479 WeakPolarHBondContact CB-OD1 3.47Å; S477-D479 VanDerWaalsContact CB-OD2 3.27Å; S477-D479 WeakPolarHBondContact CB-OD2 3.33Å; S477-D479 PolarHBondContact O-N 2.86Å; S477-D479 PolarHBondContact OG-N 3.4Å; S477-D479 PolarHBondContact OG-OD1 2.84Å; S477-D479 PolarHBondContact OG-OD2 3.27Å; S477-A480 PolarHBondContact O-N 2.93Å; S477-T481 PolarHBondContact N-O 2.79Å; S477-V503 PolarHBondContact O-N 3.41Å
478	R	98.9	Very high	98.2	Very high	152 Å²	152	38.3 Å²	38.3	57%	0.574	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.4	166.8	-76.5	-168.7	-177.1	-165	2.4	113.2	S461 T462 A480 A502	S461-R478 WeakPolarHBondContact OG-CB 3.44Å; T462-R478 PolarHBondContact O-N 2.95Å; R478-A480 PolarHBondContact O-N 2.76Å; R478-A502 HydrophobicContact CB-CB 4.26Å; R478-A502 HydrophobicContact CG-CB 4.14Å
479	D	98.8	Very high	98.2	Very high	31 Å²	31	41 Å²	41	17%	0.166	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	16.7	175.4	60.5	45.8	0	0	0	114.9	H459 T460 S461 S477 T481	H459-D479 WeakPolarHBondContact CA-OD2 3.23Å; H459-D479 VanDerWaalsContact CB-OD2 3.26Å; H459-D479 WeakPolarHBondContact CB-OD2 3.38Å; H459-D479 IonicContact CE1-OD1 3.59Å; H459-D479 IonicContact CG-OD2 3.64Å; H459-D479 IonicContact ND1-OD1 3.33Å; H459-D479 PolarHBondContact ND1-OD1 3.31Å; H459-D479 IonicContact ND1-OD2 3.52Å; H459-D479 PolarHBondContact ND1-OD2 2.9Å; T460-D479 PolarHBondContact N-OD2 2.92Å; T460-D479 WeakPolarHBondContact OG1-CB 3.45Å; S461-D479 PolarHBondContact N-OD2 2.87Å; S477-D479 VanDerWaalsContact CB-CG 3.46Å; S477-D479 VanDerWaalsContact CB-OD1 3.31Å; S477-D479 WeakPolarHBondContact CB-OD1 3.47Å; S477-D479 VanDerWaalsContact CB-OD2 3.27Å; S477-D479 WeakPolarHBondContact CB-OD2 3.33Å; S477-D479 PolarHBondContact O-N 2.86Å; S477-D479 PolarHBondContact OG-N 3.4Å; S477-D479 PolarHBondContact OG-OD1 2.84Å; S477-D479 PolarHBondContact OG-OD2 3.27Å; D479-T481 PolarHBondContact O-N 3.47Å; D479-T481 WeakPolarHBondContact OD1-CB 3.09Å; D479-T481 PolarHBondContact OD1-N 3.22Å; D479-T481 VanDerWaalsContact OD1-N 3.11Å; D479-T481 PolarHBondContact OD1-OG1 2.88Å
480	A	98.8	Very high	98.2	Very high	18 Å²	18	39.1 Å²	39.1	15%	0.149	19%	0.187	C	C	.	.	S	Bend	trans	59.1	2.3	-177.7	0	0	0	0	0	116.2	S477 R478 H499 A501	S477-A480 PolarHBondContact O-N 2.93Å; R478-A480 PolarHBondContact O-N 2.76Å; A480-H499 HydrophobicContact CB-CB 4.49Å; A480-H499 WeakPolarHBondContact O-CB 3.44Å; A480-A501 WeakPolarHBondContact CB-O 3.38Å
481	T	98.9	Very high	98.3	Very high	21 Å²	21	38.4 Å²	38.4	13%	0.129	18%	0.184	C	C	.	.			trans	-95.7	158.7	173.5	74.3	0	0	0	0	112.6	H459 S477 D479 M497	H459-T481 PolarHBondContact CE1-OG1 3.18Å; H459-T481 VanDerWaalsContact CE1-OG1 3.28Å; H459-T481 PolarHBondContact ND1-OG1 3.39Å; S477-T481 PolarHBondContact N-O 2.79Å; D479-T481 PolarHBondContact O-N 3.47Å; D479-T481 WeakPolarHBondContact OD1-CB 3.09Å; D479-T481 PolarHBondContact OD1-N 3.22Å; D479-T481 VanDerWaalsContact OD1-N 3.11Å; D479-T481 PolarHBondContact OD1-OG1 2.88Å; T481-M497 HydrophobicContact CG2-CG 4.21Å
482	L	98.9	Very high	98.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	153.9	154.5	-59.1	97.4	0	0	0	110.7	V474 S475 L496 V503 V506 V513 W525	V474-L482 HydrophobicContact CG1-CB 4.38Å; V474-L482 HydrophobicContact CG1-CD2 4.15Å; S475-L482 CarbonylContact O-C 3.57Å; S475-L482 WeakPolarHBondContact O-CA 3.41Å; S475-L482 WeakPolarHBondContact O-CB 3.1Å; L482-L496 HydrophobicContact CB-CB 4.14Å; L482-L496 HydrophobicContact CB-CD1 4.29Å; L482-L496 HydrophobicContact CB-CG 4.49Å; L482-L496 PolarHBondContact N-O 3.5Å; L482-L496 PolarHBondContact O-N 3.31Å; L482-V503 HydrophobicContact CD1-CG1 4.09Å; L482-V503 HydrophobicContact CD1-CG2 3.9Å; L482-V503 HydrophobicContact CD2-CG1 4.02Å; L482-V503 HydrophobicContact CG-CG1 4.01Å; L482-V503 HydrophobicContact CG-CG2 4.23Å; L482-V506 HydrophobicContact CD2-CB 3.98Å; L482-V506 HydrophobicContact CD2-CG2 3.5Å; L482-V513 HydrophobicContact CD2-CG1 4.21Å; L482-W525 HydrophobicContact CD1-CZ2 4.28Å
483	R	98.9	Very high	98.5	Very high	48 Å²	48	35.6 Å²	35.6	18%	0.181	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139	175.4	-70.5	178.1	174.4	-90	-0.2	110.7	G458 V474 S475 W485 C492 H494 V495	G458-R483 VanDerWaalsContact C-CZ 3.49Å; G458-R483 PolarHBondContact O-NE 2.83Å; G458-R483 PolarHBondContact O-NH2 2.94Å; V474-R483 CarbonylContact C-O 3.36Å; V474-R483 WeakPolarHBondContact CA-O 3.34Å; S475-R483 PolarHBondContact N-O 2.9Å; S475-R483 PolarHBondContact O-N 3.37Å; S475-R483 PolarHBondContact OG-O 2.96Å; R483-W485 HydrophobicContact CB-CD2 4.49Å; R483-W485 HydrophobicContact CB-CZ2 3.58Å; R483-W485 HydrophobicContact CG-CZ2 4.12Å; R483-W485 PolarHBondContact O-NE1 3.03Å; R483-C492 PolarHBondContact NH1-SG 2.92Å; R483-C492 VanDerWaalsContact NH1-SG 3.39Å; R483-H494 WeakPolarHBondContact CA-O 3.36Å; R483-V495 HydrophobicContact CG-CG1 4.19Å; R483-V495 HydrophobicContact CG-CG2 4.4Å
484	V	98.9	Very high	98.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131	175.2	-171.5	0	0	0	0	108	V474 L493 H494 L496 P527	V474-V484 HydrophobicContact CG1-CG2 4.35Å; V474-V484 HydrophobicContact CG2-CG1 4.27Å; V474-V484 HydrophobicContact CG2-CG2 4.15Å; V484-L493 HydrophobicContact CG1-CD1 4.5Å; V484-L493 PolarHBondContact O-N 2.89Å; V484-H494 HydrophobicContact CB-CB 4Å; V484-H494 HydrophobicContact CG2-CB 3.97Å; V484-H494 PolarHBondContact N-O 3.15Å; V484-H494 PolarHBondContact O-N 3.08Å; V484-L496 HydrophobicContact CG2-CD1 4.38Å; V484-P527 HydrophobicContact CG2-CB 4.06Å
485	W	98.8	Very high	98.5	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.011	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	145.5	-175.4	-41.2	79.2	0	0	0	111.3	L442 L456 Y457 R472 V473 S475 R483 Q491 C492	L442-W485 HydrophobicContact CD1-CZ2 4.03Å; L456-W485 HydrophobicContact CB-CD2 4.11Å; L456-W485 HydrophobicContact CB-CE3 3.66Å; L456-W485 HydrophobicContact CB-CH2 4.07Å; L456-W485 HydrophobicContact CB-CZ2 4.47Å; L456-W485 HydrophobicContact CB-CZ3 3.65Å; L456-W485 HydrophobicContact CD1-CB 3.9Å; L456-W485 HydrophobicContact CD1-CD2 3.87Å; L456-W485 HydrophobicContact CD1-CE3 4.04Å; L456-W485 HydrophobicContact CD1-CG 3.83Å; L456-W485 HydrophobicContact CG-CE3 4.32Å; Y457-W485 WeakPolarHBondContact O-CH2 3.42Å; Y457-W485 WeakPolarHBondContact O-CZ3 3.49Å; R472-W485 WeakPolarHBondContact CA-O 3.39Å; V473-W485 HydrophobicContact CG1-CB 3.91Å; V473-W485 HydrophobicContact CG1-CG 4.23Å; V473-W485 PolarHBondContact N-O 3.46Å; V473-W485 PolarHBondContact O-N 3.28Å; S475-W485 PolarHBondContact OG-NE1 3.16Å; R483-W485 HydrophobicContact CB-CD2 4.49Å; R483-W485 HydrophobicContact CB-CZ2 3.58Å; R483-W485 HydrophobicContact CG-CZ2 4.12Å; R483-W485 PolarHBondContact O-NE1 3.03Å; W485-Q491 VanDerWaalsContact CA-O 3.26Å; W485-Q491 WeakPolarHBondContact CA-O 3.36Å; W485-C492 HydrophobicContact CD2-CB 4.37Å; W485-C492 VanDerWaalsContact CE3-CA 3.48Å; W485-C492 HydrophobicContact CE3-CB 3.56Å; W485-C492 HydrophobicContact CH2-CB 4.28Å; W485-C492 HydrophobicContact CZ3-CB 3.5Å
486	D	98.4	Very high	98.5	Very high	26 Å²	26	38.8 Å²	38.8	14%	0.139	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	129.1	165.2	-172.3	-73.7	0	0	0	110.1	E488 T489 G490 Q491 L493	D486-E488 WeakPolarHBondContact OD1-CA 3.15Å; D486-E488 WeakPolarHBondContact OD1-CB 3.23Å; D486-E488 PolarHBondContact OD1-N 3.13Å; D486-T489 PolarHBondContact OD1-N 2.94Å; D486-G490 WeakPolarHBondContact O-CA 3.28Å; D486-G490 PolarHBondContact O-N 3.5Å; D486-Q491 PolarHBondContact N-O 2.82Å; D486-L493 HydrophobicContact CB-CD1 4.16Å; D486-L493 HydrophobicContact CB-CD2 4.21Å; D486-L493 HydrophobicContact CB-CG 4.26Å
487	I	96.7	Very high	98.4	Very high	17 Å²	17	45.2 Å²	45.2	9%	0.087	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-13.5	-173.2	77.5	-169	0	0	0	113.2	I434 L468 K471 V473	I434-I487 HydrophobicContact CD1-CB 4.44Å; I434-I487 HydrophobicContact CD1-CG2 3.62Å; L468-I487 HydrophobicContact CD1-CD1 3.91Å; L468-I487 HydrophobicContact CD1-CG2 4.31Å; K471-I487 VanDerWaalsContact O-CG1 3.3Å; K471-I487 WeakPolarHBondContact O-CG1 3.32Å; K471-I487 WeakPolarHBondContact O-CG2 3.5Å; K471-I487 PolarHBondContact O-N 3.47Å; V473-I487 HydrophobicContact CB-CG2 4.11Å; V473-I487 HydrophobicContact CG1-CG2 3.84Å
488	E	96.4	Very high	98.4	Very high	114 Å²	114	47.1 Å²	47.1	53%	0.533	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-42.6	176.4	-63.5	-176.3	176.1	0	0	110.6	H454 K471 D486	H454-E488 PolarHBondContact NE2-O 2.89Å; K471-E488 HydrophobicContact CD-CG 4.43Å; K471-E488 WeakPolarHBondContact CD-OE1 3.39Å; K471-E488 WeakPolarHBondContact CE-OE1 3.4Å; K471-E488 IonicContact NZ-OE1 3.86Å; K471-E488 PolarHBondContact NZ-OE1 3.47Å; K471-E488 IonicContact NZ-OE2 2.89Å; K471-E488 PolarHBondContact NZ-OE2 2.64Å; D486-E488 WeakPolarHBondContact OD1-CA 3.15Å; D486-E488 WeakPolarHBondContact OD1-CB 3.23Å; D486-E488 PolarHBondContact OD1-N 3.13Å
489	T	97.9	Very high	98.4	Very high	73 Å²	73	40.5 Å²	40.5	45%	0.448	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-21.3	178.6	73.4	0	0	0	0	114.1	H454 D486 Q491	H454-T489 PolarHBondContact CE1-O 3.49Å; D486-T489 PolarHBondContact OD1-N 2.94Å; T489-Q491 VanDerWaalsContact C-N 3.29Å; T489-Q491 WeakPolarHBondContact OG1-CB 3.47Å; T489-Q491 WeakPolarHBondContact OG1-CG 3.33Å; T489-Q491 PolarHBondContact OG1-N 2.95Å
490	G	97.8	Very high	98.4	Very high	19 Å²	19	45.2 Å²	45.2	20%	0.196	26%	0.255	C	S	.	.			trans	75	15.3	-176.1	0	0	0	0	0	114.2	H454 L456 D486	H454-G490 PolarHBondContact NE2-N 2.86Å; L456-G490 WeakPolarHBondContact CD2-O 3.46Å; D486-G490 WeakPolarHBondContact O-CA 3.28Å; D486-G490 PolarHBondContact O-N 3.5Å
491	Q	98.4	Very high	98.4	Very high	121 Å²	121	46 Å²	46	57%	0.565	26%	0.261	S	S	*	.			trans	-94.1	142.9	-175.7	-66.1	179.5	-27.6	0	0	112.6	W485 D486 T489 L493	W485-Q491 VanDerWaalsContact CA-O 3.26Å; W485-Q491 WeakPolarHBondContact CA-O 3.36Å; D486-Q491 PolarHBondContact N-O 2.82Å; T489-Q491 VanDerWaalsContact C-N 3.29Å; T489-Q491 WeakPolarHBondContact OG1-CB 3.47Å; T489-Q491 WeakPolarHBondContact OG1-CG 3.33Å; T489-Q491 PolarHBondContact OG1-N 2.95Å; Q491-L493 PolarHBondContact O-N 2.63Å
492	C	98.6	Very high	98.4	Very high	47 Å²	47	45.9 Å²	45.9	32%	0.318	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	119.1	162	-162.2	0	0	0	0	107.7	R483 W485	R483-C492 PolarHBondContact NH1-SG 2.92Å; R483-C492 VanDerWaalsContact NH1-SG 3.39Å; W485-C492 HydrophobicContact CD2-CB 4.37Å; W485-C492 VanDerWaalsContact CE3-CA 3.48Å; W485-C492 HydrophobicContact CE3-CB 3.56Å; W485-C492 HydrophobicContact CH2-CB 4.28Å; W485-C492 HydrophobicContact CZ3-CB 3.5Å
493	L	98.6	Very high	98.4	Very high	58 Å²	58	45.9 Å²	45.9	30%	0.304	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	-45.6	176.1	-58.9	-179.3	0	0	0	111.1	R472 V484 D486 Q491	R472-L493 HydrophobicContact CG-CD1 4.04Å; R472-L493 VanDerWaalsContact NE-CD1 3.29Å; V484-L493 HydrophobicContact CG1-CD1 4.5Å; V484-L493 PolarHBondContact O-N 2.89Å; D486-L493 HydrophobicContact CB-CD1 4.16Å; D486-L493 HydrophobicContact CB-CD2 4.21Å; D486-L493 HydrophobicContact CB-CG 4.26Å; Q491-L493 PolarHBondContact O-N 2.63Å
494	H	98.8	Very high	98.4	Very high	29 Å²	29	46 Å²	46	13%	0.134	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	153.4	-171.2	-56.3	-66.7	0	0	0	112.7	R483 V484 P527 E530	R483-H494 WeakPolarHBondContact CA-O 3.36Å; V484-H494 HydrophobicContact CB-CB 4Å; V484-H494 HydrophobicContact CG2-CB 3.97Å; V484-H494 PolarHBondContact N-O 3.15Å; V484-H494 PolarHBondContact O-N 3.08Å; H494-P527 PolarHBondContact CD2-O 2.93Å; H494-P527 PolarHBondContact ND1-O 3.31Å; H494-E530 WeakPolarHBondContact CA-OE1 3.23Å; H494-E530 HydrophobicContact CB-CG 4.1Å; H494-E530 WeakPolarHBondContact CB-OE1 3.17Å; H494-E530 IonicContact ND1-OE1 2.99Å
495	V	98.8	Very high	98.4	Very high	37 Å²	37	46.5 Å²	46.5	22%	0.224	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	116	174.4	-166.9	0	0	0	0	109.6	R483 M497 E530	R483-V495 HydrophobicContact CG-CG1 4.19Å; R483-V495 HydrophobicContact CG-CG2 4.4Å; V495-M497 HydrophobicContact CG1-CG 3.97Å; V495-M497 HydrophobicContact CG1-SD 4.44Å; V495-E530 PolarHBondContact N-OE1 3.29Å
496	L	98.8	Very high	98.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	110.7	-179	-47.4	178.6	0	0	0	108.6	L482 V484 V513 W525 E530	L482-L496 HydrophobicContact CB-CB 4.14Å; L482-L496 HydrophobicContact CB-CD1 4.29Å; L482-L496 HydrophobicContact CB-CG 4.49Å; L482-L496 PolarHBondContact N-O 3.5Å; L482-L496 PolarHBondContact O-N 3.31Å; V484-L496 HydrophobicContact CG2-CD1 4.38Å; L496-V513 HydrophobicContact CD1-CB 4.01Å; L496-V513 HydrophobicContact CD1-CG1 3.98Å; L496-V513 HydrophobicContact CD1-CG2 4.01Å; L496-W525 HydrophobicContact CB-CD2 4.01Å; L496-W525 HydrophobicContact CB-CE3 3.8Å; L496-W525 HydrophobicContact CB-CH2 4.36Å; L496-W525 HydrophobicContact CB-CZ3 3.99Å; L496-W525 HydrophobicContact CD1-CB 3.97Å; L496-W525 HydrophobicContact CD1-CD2 4.14Å; L496-W525 HydrophobicContact CD1-CG 3.88Å; L496-W525 HydrophobicContact CD2-CE3 4.41Å; L496-W525 HydrophobicContact CG-CE3 4.47Å; L496-E530 HydrophobicContact CD2-CB 4.28Å
497	M	98.6	Very high	98.4	Very high	135 Å²	135	46.9 Å²	46.9	67%	0.665	27%	0.268	S	S	*	.			trans	-113.8	144.7	-176.1	-62.2	-177	65.7	0	0	111	T481 V495 W525	T481-M497 HydrophobicContact CG2-CG 4.21Å; V495-M497 HydrophobicContact CG1-CG 3.97Å; V495-M497 HydrophobicContact CG1-SD 4.44Å; M497-W525 WeakPolarHBondContact O-CH2 3.4Å; M497-W525 VanDerWaalsContact O-CZ3 3.26Å; M497-W525 WeakPolarHBondContact O-CZ3 3.17Å
498	G	98.3	Very high	98.5	Very high	41 Å²	41	46.4 Å²	46.4	42%	0.423	27%	0.265	S	S	.	.			trans	126.5	8.6	175.1	0	0	0	0	0	116.1	K523	G498-K523 WeakPolarHBondContact O-CE 3.36Å; G498-K523 PolarHBondContact O-NZ 3.04Å
499	H	98.8	Very high	98.6	Very high	12 Å²	12	43.3 Å²	43.3	6%	0.056	25%	0.252	C	S	.	.			trans	-75.5	154	147.4	-84.8	-67.9	0	0	0	109.2	A480 V503 S515 A517 D519 W525	A480-H499 HydrophobicContact CB-CB 4.49Å; A480-H499 WeakPolarHBondContact O-CB 3.44Å; H499-V503 HydrophobicContact CB-CG2 4.33Å; H499-S515 PolarHBondContact CD2-OG 2.94Å; H499-S515 PolarHBondContact NE2-OG 3.36Å; H499-A517 HydrophobicContact CB-CB 4.4Å; H499-A517 WeakPolarHBondContact ND1-CB 3.26Å; H499-D519 VanDerWaalsContact CA-OD2 3.27Å; H499-D519 WeakPolarHBondContact CA-OD2 3.38Å; H499-D519 WeakPolarHBondContact CB-OD2 3.28Å; H499-D519 IonicContact CE1-OD1 3.44Å; H499-D519 IonicContact CG-OD2 3.38Å; H499-D519 IonicContact ND1-OD1 2.66Å; H499-D519 PolarHBondContact ND1-OD1 2.89Å; H499-D519 IonicContact ND1-OD2 3.42Å; H499-D519 PolarHBondContact ND1-OD2 2.76Å; H499-W525 AromaticContact CD2-CZ2 3.96Å
500	V	98.7	Very high	98.5	Very high	131 Å²	131	41 Å²	41	79%	0.794	24%	0.243	S	C	*	.	S	Bend	trans	-103.3	-18.1	-177.4	-174.5	0	0	0	0	111.8	D519	V500-D519 HydrophobicContact CB-CB 4.11Å; V500-D519 PolarHBondContact N-OD2 3.21Å
501	A	98.8	Very high	98.5	Very high	33 Å²	33	45.4 Å²	45.4	27%	0.273	25%	0.254	S	S	.	.	S	Bend	trans	-139.4	174.4	178	0	0	0	0	0	111.9	A480 V503 D519	A480-A501 WeakPolarHBondContact CB-O 3.38Å; A501-V503 PolarHBondContact O-N 2.88Å; A501-D519 HydrophobicContact CB-CB 4.11Å
502	A	98.8	Very high	98.5	Very high	19 Å²	19	41.2 Å²	41.2	16%	0.157	23%	0.233	C	C	.	.			trans	-45.4	125.9	-174.8	0	0	0	0	0	114.5	R478 R504 A517 Y518	R478-A502 HydrophobicContact CB-CB 4.26Å; R478-A502 HydrophobicContact CG-CB 4.14Å; A502-R504 PolarHBondContact O-N 2.89Å; A502-A517 WeakPolarHBondContact O-CA 3.3Å; A502-A517 WeakPolarHBondContact O-CB 3.37Å; A502-Y518 HydrophobicContact CB-CD2 4.02Å; A502-Y518 HydrophobicContact CB-CG 4.42Å; A502-Y518 PolarHBondContact O-N 3.33Å
503	V	98.9	Very high	98.5	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	115.3	176.3	-173.7	0	0	0	0	109.4	S477 L482 H499 A501 A517	S477-V503 PolarHBondContact O-N 3.41Å; L482-V503 HydrophobicContact CD1-CG1 4.09Å; L482-V503 HydrophobicContact CD1-CG2 3.9Å; L482-V503 HydrophobicContact CD2-CG1 4.02Å; L482-V503 HydrophobicContact CG-CG1 4.01Å; L482-V503 HydrophobicContact CG-CG2 4.23Å; H499-V503 HydrophobicContact CB-CG2 4.33Å; A501-V503 PolarHBondContact O-N 2.88Å; V503-A517 HydrophobicContact CG2-CB 4.47Å
504	R	98.8	Very high	98.5	Very high	51 Å²	51	36.2 Å²	36.2	19%	0.192	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	-27.2	-170.4	176.4	57.7	-175.8	68	9.8	113.3	A502 G516 Y518 V543 Y544	A502-R504 PolarHBondContact O-N 2.89Å; R504-G516 PolarHBondContact N-O 3.44Å; R504-Y518 HydrophobicContact CB-CD1 3.94Å; R504-Y518 HydrophobicContact CB-CE1 3.65Å; R504-Y518 HydrophobicContact CG-CD1 4.37Å; R504-Y518 HydrophobicContact CG-CE1 3.62Å; R504-V543 WeakPolarHBondContact CB-O 3.35Å; R504-Y544 HydrophobicContact CG-CD1 4.02Å; R504-Y544 HydrophobicContact CG-CG 4.46Å; R504-Y544 PolarHBondContact NH1-O 3.22Å
505	C	98.6	Very high	98.5	Very high	10 Å²	10	34.8 Å²	34.8	7%	0.068	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	148.1	-177	52.5	0	0	0	0	111.7	S515 G516 L546	C505-S515 WeakPolarHBondContact O-CA 3.29Å; C505-G516 PolarHBondContact N-O 2.87Å; C505-G516 PolarHBondContact O-N 2.94Å; C505-G516 PolarHBondContact SG-O 3.28Å; C505-L546 HydrophobicContact CB-CB 3.97Å
506	V	98.9	Very high	98.5	Very high	10 Å²	10	33 Å²	33	6%	0.061	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	145.6	-178.4	65.2	0	0	0	0	111.1	C465 H467 V474 L482 V513 V514	C465-V506 HydrophobicContact CB-CG1 4.16Å; H467-V506 HydrophobicContact CB-CG1 4.36Å; V474-V506 HydrophobicContact CB-CG2 4.41Å; V474-V506 HydrophobicContact CG1-CG2 4.03Å; L482-V506 HydrophobicContact CD2-CB 3.98Å; L482-V506 HydrophobicContact CD2-CG2 3.5Å; V506-V513 HydrophobicContact CG2-CG1 3.9Å; V506-V514 CarbonylContact C-O 3.59Å; V506-V514 VanDerWaalsContact CA-O 3.29Å; V506-V514 WeakPolarHBondContact CA-O 3.38Å
507	Q	98.8	Very high	98.6	Very high	27 Å²	27	33 Å²	33	13%	0.126	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.5	168.9	-63.3	-72.6	1.9	0	0	109.4	H467 V514 L546 F548	H467-Q507 PolarHBondContact CE1-OE1 2.93Å; H467-Q507 PolarHBondContact ND1-OE1 3.37Å; Q507-V514 PolarHBondContact N-O 3.22Å; Q507-V514 PolarHBondContact O-N 2.73Å; Q507-L546 HydrophobicContact CB-CD2 3.96Å; Q507-L546 HydrophobicContact CG-CD2 3.49Å; Q507-L546 VanDerWaalsContact CG-CD2 3.49Å; Q507-L546 PolarHBondContact NE2-O 2.91Å; Q507-F548 HydrophobicContact CB-CB 3.76Å; Q507-F548 HydrophobicContact CB-CD1 4.44Å; Q507-F548 HydrophobicContact CG-CB 4.13Å
508	Y	98.7	Very high	98.6	Very high	8 Å²	8	29.7 Å²	29.7	3%	0.031	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	124.2	179	175.6	-132.9	0	0	0	110.5	H467 H469 R472 V474 G510 R512 V513 P527	H467-Y508 PolarHBondContact CD2-O 2.84Å; H467-Y508 PolarHBondContact NE2-O 2.87Å; H469-Y508 HydrophobicContact CB-CD1 3.51Å; H469-Y508 HydrophobicContact CB-CE1 3.8Å; H469-Y508 HydrophobicContact CB-CG 4.25Å; R472-Y508 HydrophobicContact CB-CE1 3.92Å; R472-Y508 PolarHBondContact NH1-OH 3.34Å; V474-Y508 HydrophobicContact CG2-CD1 3.5Å; V474-Y508 HydrophobicContact CG2-CD2 4.22Å; V474-Y508 HydrophobicContact CG2-CE1 4.05Å; V474-Y508 HydrophobicContact CG2-CG 3.61Å; Y508-G510 VanDerWaalsContact CE2-CA 3.42Å; Y508-G510 WeakPolarHBondContact CE2-O 3.33Å; Y508-G510 VanDerWaalsContact CZ-CA 3.41Å; Y508-G510 PolarHBondContact OH-O 3.4Å; Y508-R512 WeakPolarHBondContact CD2-O 3.28Å; Y508-V513 HydrophobicContact CD2-CG2 3.75Å; Y508-V513 HydrophobicContact CE2-CG2 4.19Å; Y508-V513 HydrophobicContact CG-CG2 4.37Å; Y508-P527 HydrophobicContact CE2-CG 4.15Å
509	D	97.6	Very high	98.6	Very high	49 Å²	49	29 Å²	29	26%	0.262	15%	0.153	S	C	.	.			trans	-103.1	10.9	-178.2	73.8	-19.4	0	0	0	113.5	H469 R511 R512 F548	H469-D509 PolarHBondContact NE2-O 2.91Å; D509-R511 VanDerWaalsContact C-N 3.32Å; D509-R511 PolarHBondContact O-N 2.74Å; D509-R511 WeakPolarHBondContact OD1-CA 3.41Å; D509-R511 PolarHBondContact OD1-N 2.65Å; D509-R512 PolarHBondContact OD1-N 3.34Å; D509-F548 HydrophobicContact CB-CD1 4.26Å; D509-F548 HydrophobicContact CB-CE1 3.79Å; D509-F548 VanDerWaalsContact CG-CE1 3.48Å
510	G	96.9	Very high	98.6	Very high	25 Å²	25	32.1 Å²	32.1	26%	0.258	17%	0.166	S	C	.	.	S	Bend	trans	91.9	-31.3	-170.2	0	0	0	0	0	114.1	H469 Y508	H469-G510 WeakPolarHBondContact ND1-CA 3.31Å; Y508-G510 VanDerWaalsContact CE2-CA 3.42Å; Y508-G510 WeakPolarHBondContact CE2-O 3.33Å; Y508-G510 VanDerWaalsContact CZ-CA 3.41Å; Y508-G510 PolarHBondContact OH-O 3.4Å
511	R	97.6	Very high	98.6	Very high	110 Å²	110	28.3 Å²	28.3	42%	0.415	14%	0.14	S	C	.	.	S	Bend	trans	-104.3	-38.3	-175.9	-177.8	-168	164.5	-145.2	-5.5	113.2	D509 E568	D509-R511 VanDerWaalsContact C-N 3.32Å; D509-R511 PolarHBondContact O-N 2.74Å; D509-R511 WeakPolarHBondContact OD1-CA 3.41Å; D509-R511 PolarHBondContact OD1-N 2.65Å; R511-E568 IonicContact CZ-OE1 3.26Å; R511-E568 IonicContact CZ-OE2 2.84Å; R511-E568 IonicContact NH1-OE1 2.77Å; R511-E568 PolarHBondContact NH1-OE1 2.55Å; R511-E568 VanDerWaalsContact NH2-CD 3.28Å; R511-E568 IonicContact NH2-OE1 2.65Å; R511-E568 PolarHBondContact NH2-OE1 3.14Å; R511-E568 IonicContact NH2-OE2 3.62Å; R511-E568 PolarHBondContact NH2-OE2 2.61Å
512	R	98.5	Very high	98.6	Very high	33 Å²	33	26.7 Å²	26.7	13%	0.125	13%	0.127	C	C	.	.			trans	-134.6	130.3	-174.3	-65.7	-64.7	172.1	-115.3	27.4	110.4	Y508 D509 V524 W525 D526 L533 F548	Y508-R512 WeakPolarHBondContact CD2-O 3.28Å; D509-R512 PolarHBondContact OD1-N 3.34Å; R512-V524 HydrophobicContact CB-CG1 4.49Å; R512-W525 WeakPolarHBondContact CD-O 3.41Å; R512-D526 IonicContact CZ-OD2 3.77Å; R512-D526 IonicContact NH1-OD1 2.65Å; R512-D526 PolarHBondContact NH1-OD1 2.63Å; R512-D526 IonicContact NH1-OD2 3.86Å; R512-D526 PolarHBondContact NH1-OD2 3.3Å; R512-D526 IonicContact NH2-OD2 3.46Å; R512-D526 PolarHBondContact NH2-OD2 3.34Å; R512-L533 VanDerWaalsContact NE-CD1 3.35Å; R512-F548 HydrophobicContact CB-CE1 4.05Å; R512-F548 HydrophobicContact CB-CZ 4.05Å
513	V	98.9	Very high	98.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	138.8	165.4	-179.6	0	0	0	0	107.6	V474 L482 L496 V506 Y508 V524 W525 P527	V474-V513 HydrophobicContact CG1-CG1 3.84Å; V474-V513 HydrophobicContact CG1-CG2 4.21Å; V474-V513 HydrophobicContact CG2-CG2 3.94Å; L482-V513 HydrophobicContact CD2-CG1 4.21Å; L496-V513 HydrophobicContact CD1-CB 4.01Å; L496-V513 HydrophobicContact CD1-CG1 3.98Å; L496-V513 HydrophobicContact CD1-CG2 4.01Å; V506-V513 HydrophobicContact CG2-CG1 3.9Å; Y508-V513 HydrophobicContact CD2-CG2 3.75Å; Y508-V513 HydrophobicContact CE2-CG2 4.19Å; Y508-V513 HydrophobicContact CG-CG2 4.37Å; V513-V524 WeakPolarHBondContact O-CA 3.5Å; V513-W525 HydrophobicContact CB-CB 4.19Å; V513-W525 HydrophobicContact CB-CG 4.44Å; V513-W525 PolarHBondContact N-O 2.83Å; V513-W525 PolarHBondContact O-N 3.18Å; V513-P527 HydrophobicContact CG2-CB 4.12Å; V513-P527 HydrophobicContact CG2-CG 4.37Å
514	V	98.9	Very high	98.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.3	172.4	-166.5	0	0	0	0	109.1	V506 Q507 V522 K523 V524 L546 F548 V553	V506-V514 CarbonylContact C-O 3.59Å; V506-V514 VanDerWaalsContact CA-O 3.29Å; V506-V514 WeakPolarHBondContact CA-O 3.38Å; Q507-V514 PolarHBondContact N-O 3.22Å; Q507-V514 PolarHBondContact O-N 2.73Å; V514-V522 HydrophobicContact CG1-CG1 3.84Å; V514-K523 WeakPolarHBondContact CA-O 3.28Å; V514-V524 HydrophobicContact CG1-CG2 4.28Å; V514-V524 HydrophobicContact CG2-CG2 4.5Å; V514-L546 HydrophobicContact CB-CD2 4.07Å; V514-L546 HydrophobicContact CG1-CD1 4.12Å; V514-L546 HydrophobicContact CG1-CD2 3.89Å; V514-F548 HydrophobicContact CG2-CD1 3.75Å; V514-F548 HydrophobicContact CG2-CD2 4.15Å; V514-F548 HydrophobicContact CG2-CE1 3.9Å; V514-F548 HydrophobicContact CG2-CE2 4.32Å; V514-F548 HydrophobicContact CG2-CG 3.89Å; V514-F548 HydrophobicContact CG2-CZ 4.2Å; V514-V553 HydrophobicContact CG1-CB 4.37Å; V514-V553 HydrophobicContact CG1-CG1 3.67Å; V514-V553 HydrophobicContact CG1-CG2 3.73Å; V514-V553 HydrophobicContact CG2-CG2 4.06Å
515	S	98.9	Very high	98.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	141.2	-172.9	59.5	0	0	0	0	112.3	H499 C505 V522 K523 W525	H499-S515 PolarHBondContact CD2-OG 2.94Å; H499-S515 PolarHBondContact NE2-OG 3.36Å; C505-S515 WeakPolarHBondContact O-CA 3.29Å; S515-V522 CarbonylContact O-C 3.49Å; S515-V522 VanDerWaalsContact O-CA 3.22Å; S515-V522 WeakPolarHBondContact O-CA 3.33Å; S515-V522 WeakPolarHBondContact O-CG1 3.4Å; S515-K523 PolarHBondContact N-O 3.22Å; S515-K523 PolarHBondContact O-N 3.17Å; S515-W525 PolarHBondContact OG-NE1 3.43Å
516	G	98.8	Very high	98.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.4	174.5	0	0	0	0	0	110.9	R504 C505	R504-G516 PolarHBondContact N-O 3.44Å; C505-G516 PolarHBondContact N-O 2.87Å; C505-G516 PolarHBondContact O-N 2.94Å; C505-G516 PolarHBondContact SG-O 3.28Å
517	A	98.9	Very high	98.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	177.4	-168.1	0	0	0	0	0	113.5	H499 A502 V503 D519 F520 M521 V543	H499-A517 HydrophobicContact CB-CB 4.4Å; H499-A517 WeakPolarHBondContact ND1-CB 3.26Å; A502-A517 WeakPolarHBondContact O-CA 3.3Å; A502-A517 WeakPolarHBondContact O-CB 3.37Å; V503-A517 HydrophobicContact CG2-CB 4.47Å; A517-D519 WeakPolarHBondContact CB-OD1 2.99Å; A517-D519 PolarHBondContact O-N 3.26Å; A517-F520 PolarHBondContact O-N 3.43Å; A517-M521 PolarHBondContact N-O 2.89Å; A517-V543 PolarHBondContact O-N 3.14Å
518	Y	98.9	Very high	98.5	Very high	65 Å²	65	28.2 Å²	28.2	26%	0.255	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.5	178.6	-72.4	-2.3	0	0	0	114.3	A502 R504 F520 R542 Y544	A502-Y518 HydrophobicContact CB-CD2 4.02Å; A502-Y518 HydrophobicContact CB-CG 4.42Å; A502-Y518 PolarHBondContact O-N 3.33Å; R504-Y518 HydrophobicContact CB-CD1 3.94Å; R504-Y518 HydrophobicContact CB-CE1 3.65Å; R504-Y518 HydrophobicContact CG-CD1 4.37Å; R504-Y518 HydrophobicContact CG-CE1 3.62Å; Y518-F520 VanDerWaalsContact O-CD1 3.28Å; Y518-F520 WeakPolarHBondContact O-CD1 3.47Å; Y518-F520 WeakPolarHBondContact O-CE1 3.47Å; Y518-F520 PolarHBondContact O-N 2.57Å; Y518-R542 HydrophobicContact CD1-CB 3.69Å; Y518-R542 HydrophobicContact CD1-CG 3.93Å; Y518-R542 HydrophobicContact CE1-CB 4.19Å; Y518-R542 HydrophobicContact CG-CB 4.24Å; Y518-R542 HydrophobicContact CG-CG 3.95Å; Y518-Y544 HydrophobicContact CE1-CD1 4.36Å; Y518-Y544 AromaticContact CE1-CE1 3.86Å; Y518-Y544 HydrophobicContact CE1-CE1 3.86Å; Y518-Y544 HydrophobicContact CE1-CE2 4.07Å; Y518-Y544 AromaticContact CE1-CZ 3.7Å; Y518-Y544 AromaticContact CZ-CE1 3.98Å; Y518-Y544 AromaticContact CZ-CZ 3.89Å; Y518-Y544 WeakPolarHBondContact OH-CE1 2.9Å; Y518-Y544 PolarHBondContact OH-OH 3.21Å
519	D	98.6	Very high	98.5	Very high	25 Å²	25	32 Å²	32	13%	0.134	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	10.8	170	62.2	8.9	0	0	0	113	H499 V500 A501 A517 M521	H499-D519 VanDerWaalsContact CA-OD2 3.27Å; H499-D519 WeakPolarHBondContact CA-OD2 3.38Å; H499-D519 WeakPolarHBondContact CB-OD2 3.28Å; H499-D519 IonicContact CE1-OD1 3.44Å; H499-D519 IonicContact CG-OD2 3.38Å; H499-D519 IonicContact ND1-OD1 2.66Å; H499-D519 PolarHBondContact ND1-OD1 2.89Å; H499-D519 IonicContact ND1-OD2 3.42Å; H499-D519 PolarHBondContact ND1-OD2 2.76Å; V500-D519 HydrophobicContact CB-CB 4.11Å; V500-D519 PolarHBondContact N-OD2 3.21Å; A501-D519 HydrophobicContact CB-CB 4.11Å; A517-D519 WeakPolarHBondContact CB-OD1 2.99Å; A517-D519 PolarHBondContact O-N 3.26Å; D519-M521 PolarHBondContact O-N 3.04Å; D519-M521 VanDerWaalsContact O-N 3.13Å; D519-M521 VanDerWaalsContact OD1-CB 3.31Å; D519-M521 WeakPolarHBondContact OD1-CB 3.45Å; D519-M521 PolarHBondContact OD1-N 3.19Å
520	F	98.7	Very high	98.5	Very high	79 Å²	79	34.1 Å²	34.1	35%	0.346	17%	0.165	S	C	.	.	S	Bend	trans	67.8	1.1	-178.4	-40.2	-16.3	0	0	0	113.7	A517 Y518 H539 T540 N541 R542	A517-F520 PolarHBondContact O-N 3.43Å; Y518-F520 VanDerWaalsContact O-CD1 3.28Å; Y518-F520 WeakPolarHBondContact O-CD1 3.47Å; Y518-F520 WeakPolarHBondContact O-CE1 3.47Å; Y518-F520 PolarHBondContact O-N 2.57Å; F520-H539 WeakPolarHBondContact O-CB 3.09Å; F520-T540 WeakPolarHBondContact CE2-O 3.4Å; F520-N541 WeakPolarHBondContact CB-O 3.09Å; F520-N541 VanDerWaalsContact CD1-CA 3.48Å; F520-N541 WeakPolarHBondContact CD1-O 3.41Å; F520-R542 HydrophobicContact CD1-CG 4.32Å; F520-R542 HydrophobicContact CE1-CG 4.04Å
521	M	98.8	Very high	98.6	Very high	50 Å²	50	36 Å²	36	25%	0.246	17%	0.171	C	C	.	.			trans	-91.5	151.8	-177.9	-55.1	-64.4	157.3	0	0	111.7	A517 D519 T535 Q537	A517-M521 PolarHBondContact N-O 2.89Å; D519-M521 PolarHBondContact O-N 3.04Å; D519-M521 VanDerWaalsContact O-N 3.13Å; D519-M521 VanDerWaalsContact OD1-CB 3.31Å; D519-M521 WeakPolarHBondContact OD1-CB 3.45Å; D519-M521 PolarHBondContact OD1-N 3.19Å; M521-T535 HydrophobicContact CB-CG2 4.11Å; M521-T535 HydrophobicContact CG-CG2 4.05Å; M521-T535 HydrophobicContact SD-CG2 3.8Å; M521-Q537 HydrophobicContact SD-CB 4.37Å; M521-Q537 HydrophobicContact SD-CG 3.74Å
522	V	98.9	Very high	98.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.5	157.8	179.9	0	0	0	0	108.2	V514 S515 L536 V543 L546 V553	V514-V522 HydrophobicContact CG1-CG1 3.84Å; S515-V522 CarbonylContact O-C 3.49Å; S515-V522 VanDerWaalsContact O-CA 3.22Å; S515-V522 WeakPolarHBondContact O-CA 3.33Å; S515-V522 WeakPolarHBondContact O-CG1 3.4Å; V522-L536 HydrophobicContact CB-CB 4.13Å; V522-L536 HydrophobicContact CB-CD1 4.13Å; V522-L536 HydrophobicContact CB-CG 4.42Å; V522-L536 HydrophobicContact CG1-CD1 3.84Å; V522-L536 PolarHBondContact N-O 3.25Å; V522-L536 WeakPolarHBondContact O-CB 3.33Å; V522-L536 PolarHBondContact O-N 3.25Å; V522-V543 HydrophobicContact CG2-CG1 4.04Å; V522-V543 HydrophobicContact CG2-CG2 4.08Å; V522-L546 HydrophobicContact CG1-CD1 3.93Å; V522-V553 HydrophobicContact CG1-CG1 4.02Å
523	K	98.9	Very high	98.7	Very high	22 Å²	22	35 Å²	35	10%	0.096	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.9	-179.7	-69.4	175.1	-174.4	-93.9	0	111.2	G498 V514 S515 W525 H534 T535	G498-K523 WeakPolarHBondContact O-CE 3.36Å; G498-K523 PolarHBondContact O-NZ 3.04Å; V514-K523 WeakPolarHBondContact CA-O 3.28Å; S515-K523 PolarHBondContact N-O 3.22Å; S515-K523 PolarHBondContact O-N 3.17Å; K523-W525 HydrophobicContact CB-CZ2 3.66Å; K523-W525 HydrophobicContact CD-CH2 3.95Å; K523-W525 HydrophobicContact CD-CZ2 3.54Å; K523-W525 HydrophobicContact CG-CZ2 4.22Å; K523-W525 PolarHBondContact O-NE1 3.11Å; K523-H534 WeakPolarHBondContact CA-O 3.16Å; K523-T535 HydrophobicContact CG-CG2 4.21Å; K523-T535 PolarHBondContact NZ-OG1 2.87Å
524	V	98.9	Very high	98.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	131.1	174.1	-176.6	0	0	0	0	107.7	R512 V513 V514 L533 H534 L536 V553 V567	R512-V524 HydrophobicContact CB-CG1 4.49Å; V513-V524 WeakPolarHBondContact O-CA 3.5Å; V514-V524 HydrophobicContact CG1-CG2 4.28Å; V514-V524 HydrophobicContact CG2-CG2 4.5Å; V524-L533 PolarHBondContact O-N 2.9Å; V524-H534 HydrophobicContact CB-CB 4.14Å; V524-H534 HydrophobicContact CG2-CB 4.28Å; V524-H534 PolarHBondContact N-O 3.16Å; V524-H534 PolarHBondContact O-N 3.42Å; V524-L536 HydrophobicContact CG2-CD1 4.04Å; V524-L536 HydrophobicContact CG2-CD2 4.47Å; V524-L536 HydrophobicContact CG2-CG 4.37Å; V524-V553 HydrophobicContact CG2-CG2 4.38Å; V524-V567 HydrophobicContact CG1-CG2 3.73Å; V524-V567 HydrophobicContact CG2-CG2 4.2Å
525	W	98.9	Very high	98.7	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.7	-173.7	-41.7	76.5	0	0	0	112.1	L482 L496 M497 H499 R512 V513 S515 K523 T531 C532	L482-W525 HydrophobicContact CD1-CZ2 4.28Å; L496-W525 HydrophobicContact CB-CD2 4.01Å; L496-W525 HydrophobicContact CB-CE3 3.8Å; L496-W525 HydrophobicContact CB-CH2 4.36Å; L496-W525 HydrophobicContact CB-CZ3 3.99Å; L496-W525 HydrophobicContact CD1-CB 3.97Å; L496-W525 HydrophobicContact CD1-CD2 4.14Å; L496-W525 HydrophobicContact CD1-CG 3.88Å; L496-W525 HydrophobicContact CD2-CE3 4.41Å; L496-W525 HydrophobicContact CG-CE3 4.47Å; M497-W525 WeakPolarHBondContact O-CH2 3.4Å; M497-W525 VanDerWaalsContact O-CZ3 3.26Å; M497-W525 WeakPolarHBondContact O-CZ3 3.17Å; H499-W525 AromaticContact CD2-CZ2 3.96Å; R512-W525 WeakPolarHBondContact CD-O 3.41Å; V513-W525 HydrophobicContact CB-CB 4.19Å; V513-W525 HydrophobicContact CB-CG 4.44Å; V513-W525 PolarHBondContact N-O 2.83Å; V513-W525 PolarHBondContact O-N 3.18Å; S515-W525 PolarHBondContact OG-NE1 3.43Å; K523-W525 HydrophobicContact CB-CZ2 3.66Å; K523-W525 HydrophobicContact CD-CH2 3.95Å; K523-W525 HydrophobicContact CD-CZ2 3.54Å; K523-W525 HydrophobicContact CG-CZ2 4.22Å; K523-W525 PolarHBondContact O-NE1 3.11Å; W525-T531 VanDerWaalsContact CA-O 3.28Å; W525-T531 WeakPolarHBondContact CA-O 3.48Å; W525-C532 HydrophobicContact CD2-CB 4.35Å; W525-C532 HydrophobicContact CE3-CB 3.68Å; W525-C532 HydrophobicContact CH2-CB 4.24Å; W525-C532 HydrophobicContact CZ3-CB 3.62Å
526	D	98.6	Very high	98.7	Very high	34 Å²	34	40 Å²	40	18%	0.182	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	112.5	158.6	-154.6	-37.9	0	0	0	107.9	R512 E530 T531 L533	R512-D526 IonicContact CZ-OD2 3.77Å; R512-D526 IonicContact NH1-OD1 2.65Å; R512-D526 PolarHBondContact NH1-OD1 2.63Å; R512-D526 IonicContact NH1-OD2 3.86Å; R512-D526 PolarHBondContact NH1-OD2 3.3Å; R512-D526 IonicContact NH2-OD2 3.46Å; R512-D526 PolarHBondContact NH2-OD2 3.34Å; D526-E530 PolarHBondContact O-N 2.85Å; D526-T531 PolarHBondContact N-O 2.84Å; D526-T531 PolarHBondContact O-N 3.3Å; D526-L533 HydrophobicContact CB-CD1 4.08Å; D526-L533 HydrophobicContact CB-CD2 4.12Å; D526-L533 HydrophobicContact CB-CG 4.18Å
527	P	97.9	Very high	98.6	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-66.6	-38.4	-173.4	25	-32.6	0	0	0	112.6	V484 H494 Y508 V513 T529 E530	V484-P527 HydrophobicContact CG2-CB 4.06Å; H494-P527 PolarHBondContact CD2-O 2.93Å; H494-P527 PolarHBondContact ND1-O 3.31Å; Y508-P527 HydrophobicContact CE2-CG 4.15Å; V513-P527 HydrophobicContact CG2-CB 4.12Å; V513-P527 HydrophobicContact CG2-CG 4.37Å; P527-T529 PolarHBondContact O-N 2.96Å; P527-E530 PolarHBondContact O-N 2.91Å
528	E	97.9	Very high	98.6	Very high	91 Å²	91	47.7 Å²	47.7	43%	0.425	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-68.7	-22.9	-172.3	-45.9	-55	106.1	0	0	113.3	R472	R472-E528 IonicContact CZ-OE1 3.93Å; R472-E528 IonicContact CZ-OE2 3.7Å; R472-E528 IonicContact NH1-OE1 2.94Å; R472-E528 PolarHBondContact NH1-OE1 2.94Å; R472-E528 IonicContact NH1-OE2 3.41Å; R472-E528 PolarHBondContact NH1-OE2 2.78Å; R472-E528 IonicContact NH2-OE1 3.21Å; R472-E528 PolarHBondContact NH2-OE1 2.81Å; R472-E528 IonicContact NH2-OE2 2.76Å; R472-E528 PolarHBondContact NH2-OE2 3.28Å
529	T	98.3	Very high	98.6	Very high	87 Å²	87	45.2 Å²	45.2	53%	0.534	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-109.1	3.8	177.5	52.9	0	0	0	0	113.3	P527 T531	P527-T529 PolarHBondContact O-N 2.96Å; T529-T531 PolarHBondContact O-N 2.99Å; T529-T531 PolarHBondContact OG1-OG1 2.79Å
530	E	98.6	Very high	98.6	Very high	93 Å²	93	49.1 Å²	49.1	44%	0.435	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	14.5	-178.2	-46.6	-166.7	119.6	0	0	115.1	H494 V495 L496 D526 P527	H494-E530 WeakPolarHBondContact CA-OE1 3.23Å; H494-E530 HydrophobicContact CB-CG 4.1Å; H494-E530 WeakPolarHBondContact CB-OE1 3.17Å; H494-E530 IonicContact ND1-OE1 2.99Å; V495-E530 PolarHBondContact N-OE1 3.29Å; L496-E530 HydrophobicContact CD2-CB 4.28Å; D526-E530 PolarHBondContact O-N 2.85Å; P527-E530 PolarHBondContact O-N 2.91Å
531	T	98.5	Very high	98.6	Very high	64 Å²	64	48 Å²	48	39%	0.393	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.5	-170.7	45.7	0	0	0	0	112.9	W525 D526 T529 L533	W525-T531 VanDerWaalsContact CA-O 3.28Å; W525-T531 WeakPolarHBondContact CA-O 3.48Å; D526-T531 PolarHBondContact N-O 2.84Å; D526-T531 PolarHBondContact O-N 3.3Å; T529-T531 PolarHBondContact O-N 2.99Å; T529-T531 PolarHBondContact OG1-OG1 2.79Å; T531-L533 PolarHBondContact O-N 3.31Å
532	C	98.7	Very high	98.6	Very high	52 Å²	52	51 Å²	51	35%	0.351	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	111.2	160.3	-179.5	0	0	0	0	108.7	W525 H534 T535	W525-C532 HydrophobicContact CD2-CB 4.35Å; W525-C532 HydrophobicContact CE3-CB 3.68Å; W525-C532 HydrophobicContact CH2-CB 4.24Å; W525-C532 HydrophobicContact CZ3-CB 3.62Å; C532-H534 PolarHBondContact SG-O 2.88Å; C532-T535 PolarHBondContact SG-OG1 2.77Å; C532-T535 VanDerWaalsContact SG-OG1 3.41Å
533	L	98.6	Very high	98.6	Very high	70 Å²	70	51 Å²	51	37%	0.366	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-46.3	176.8	-60.9	178.5	0	0	0	111.3	R512 V524 D526 T531	R512-L533 VanDerWaalsContact NE-CD1 3.35Å; V524-L533 PolarHBondContact O-N 2.9Å; D526-L533 HydrophobicContact CB-CD1 4.08Å; D526-L533 HydrophobicContact CB-CD2 4.12Å; D526-L533 HydrophobicContact CB-CG 4.18Å; T531-L533 PolarHBondContact O-N 3.31Å
534	H	98.8	Very high	98.6	Very high	49 Å²	49	51.7 Å²	51.7	23%	0.227	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	137.3	-178.4	-63.7	-61.9	0	0	0	110.5	K523 V524 C532 L536 V567 E568 T569	K523-H534 WeakPolarHBondContact CA-O 3.16Å; V524-H534 HydrophobicContact CB-CB 4.14Å; V524-H534 HydrophobicContact CG2-CB 4.28Å; V524-H534 PolarHBondContact N-O 3.16Å; V524-H534 PolarHBondContact O-N 3.42Å; C532-H534 PolarHBondContact SG-O 2.88Å; H534-L536 HydrophobicContact CB-CD2 3.73Å; H534-V567 PolarHBondContact CD2-O 2.65Å; H534-E568 PolarHBondContact NE2-O 2.86Å; H534-T569 VanDerWaalsContact CE1-C 3.47Å
535	T	98.8	Very high	98.5	Very high	52 Å²	52	52 Å²	52	32%	0.319	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	108.1	161.5	-63.6	0	0	0	0	107.5	M521 K523 C532 Q537	M521-T535 HydrophobicContact CB-CG2 4.11Å; M521-T535 HydrophobicContact CG-CG2 4.05Å; M521-T535 HydrophobicContact SD-CG2 3.8Å; K523-T535 HydrophobicContact CG-CG2 4.21Å; K523-T535 PolarHBondContact NZ-OG1 2.87Å; C532-T535 PolarHBondContact SG-OG1 2.77Å; C532-T535 VanDerWaalsContact SG-OG1 3.41Å; T535-Q537 HydrophobicContact CG2-CG 4.16Å; T535-Q537 PolarHBondContact O-N 3.48Å
536	L	98.8	Very high	98.5	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	108.3	-176.2	-44.9	-180	0	0	0	108.6	V522 V524 H534 V553 W565 G570	V522-L536 HydrophobicContact CB-CB 4.13Å; V522-L536 HydrophobicContact CB-CD1 4.13Å; V522-L536 HydrophobicContact CB-CG 4.42Å; V522-L536 HydrophobicContact CG1-CD1 3.84Å; V522-L536 PolarHBondContact N-O 3.25Å; V522-L536 WeakPolarHBondContact O-CB 3.33Å; V522-L536 PolarHBondContact O-N 3.25Å; V524-L536 HydrophobicContact CG2-CD1 4.04Å; V524-L536 HydrophobicContact CG2-CD2 4.47Å; V524-L536 HydrophobicContact CG2-CG 4.37Å; H534-L536 HydrophobicContact CB-CD2 3.73Å; L536-V553 HydrophobicContact CD1-CB 4.41Å; L536-V553 HydrophobicContact CD1-CG1 4.27Å; L536-W565 HydrophobicContact CB-CD2 3.91Å; L536-W565 HydrophobicContact CB-CE3 3.74Å; L536-W565 HydrophobicContact CB-CH2 3.95Å; L536-W565 HydrophobicContact CB-CZ2 4.1Å; L536-W565 HydrophobicContact CB-CZ3 3.77Å; L536-W565 HydrophobicContact CD1-CB 3.96Å; L536-W565 HydrophobicContact CD1-CD2 3.91Å; L536-W565 HydrophobicContact CD1-CE3 4.38Å; L536-W565 HydrophobicContact CD1-CG 3.74Å; L536-W565 HydrophobicContact CD2-CE3 4.45Å; L536-W565 HydrophobicContact CG-CD2 4.41Å; L536-W565 HydrophobicContact CG-CE3 4.41Å; L536-G570 VanDerWaalsContact CD2-O 3.32Å; L536-G570 WeakPolarHBondContact CD2-O 3.27Å
537	Q	98.3	Very high	98.5	Very high	132 Å²	132	52 Å²	52	62%	0.617	28%	0.277	S	S	*	.			trans	-104.3	145.4	-174.3	-54.6	-164.5	-32.1	0	0	111.7	M521 T535 W565	M521-Q537 HydrophobicContact SD-CB 4.37Å; M521-Q537 HydrophobicContact SD-CG 3.74Å; T535-Q537 HydrophobicContact CG2-CG 4.16Å; T535-Q537 PolarHBondContact O-N 3.48Å; Q537-W565 VanDerWaalsContact O-CH2 3.28Å; Q537-W565 WeakPolarHBondContact O-CH2 3.34Å; Q537-W565 WeakPolarHBondContact O-CZ3 3.43Å
538	G	98.1	Very high	98.5	Very high	31 Å²	31	53 Å²	53	32%	0.32	28%	0.281	S	S	.	.			trans	137.6	-10	172.3	0	0	0	0	0	115.5	R563	G538-R563 VanDerWaalsContact C-NE 3.26Å; G538-R563 PolarHBondContact O-NE 3.47Å; G538-R563 PolarHBondContact O-NH2 3.4Å
539	H	98.7	Very high	98.5	Very high	13 Å²	13	51.8 Å²	51.8	6%	0.06	28%	0.278	C	S	.	.			trans	-68.5	143.8	158.2	-80.7	-58.8	0	0	0	109.1	F520 V543 S555 S557 D559 S561	F520-H539 WeakPolarHBondContact O-CB 3.09Å; H539-V543 HydrophobicContact CB-CG2 4.27Å; H539-S555 PolarHBondContact CD2-OG 3.3Å; H539-S555 PolarHBondContact NE2-O 2.78Å; H539-S555 PolarHBondContact NE2-OG 3.24Å; H539-S557 WeakPolarHBondContact ND1-CB 3.4Å; H539-D559 WeakPolarHBondContact CA-OD2 3.3Å; H539-D559 WeakPolarHBondContact CB-OD2 3.31Å; H539-D559 IonicContact CE1-OD1 3.19Å; H539-D559 IonicContact CG-OD2 3.36Å; H539-D559 IonicContact ND1-OD1 3.35Å; H539-D559 PolarHBondContact ND1-OD1 3.13Å; H539-D559 IonicContact ND1-OD2 2.84Å; H539-D559 PolarHBondContact ND1-OD2 3.21Å; H539-S561 PolarHBondContact CE1-OG 2.94Å; H539-S561 PolarHBondContact ND1-OG 2.59Å
540	T	98.6	Very high	98.4	Very high	107 Å²	107	48.5 Å²	48.5	66%	0.656	26%	0.261	S	S	*	.			trans	-110.7	5.8	-177	55.3	0	0	0	0	112.3	F520 D559	F520-T540 WeakPolarHBondContact CE2-O 3.4Å; T540-D559 PolarHBondContact N-OD2 2.76Å; T540-D559 VanDerWaalsContact OG1-CB 3.27Å; T540-D559 WeakPolarHBondContact OG1-CB 3.24Å
541	N	98.7	Very high	98.4	Very high	54 Å²	54	48.8 Å²	48.8	29%	0.289	26%	0.264	S	S	.	.	S	Bend	trans	-153.1	177.5	173.6	-149.9	-43.6	0	0	0	110.3	F520 V543 S557 L558 D559	F520-N541 WeakPolarHBondContact CB-O 3.09Å; F520-N541 VanDerWaalsContact CD1-CA 3.48Å; F520-N541 WeakPolarHBondContact CD1-O 3.41Å; N541-V543 PolarHBondContact O-N 3.32Å; N541-S557 PolarHBondContact O-OG 2.94Å; N541-S557 VanDerWaalsContact O-OG 3.1Å; N541-L558 HydrophobicContact CB-CB 4.13Å; N541-L558 HydrophobicContact CB-CG 4.45Å; N541-L558 WeakPolarHBondContact OD1-CD2 3.29Å; N541-D559 HydrophobicContact CB-CB 3.9Å
542	R	98.7	Very high	98.4	Very high	115 Å²	115	46.8 Å²	46.8	43%	0.434	25%	0.25	S	S	.	.			trans	-51.2	128.7	-175.6	-64.8	175.7	179.6	159.9	0.5	112.1	Y518 F520 Y544 S557 L558	Y518-R542 HydrophobicContact CD1-CB 3.69Å; Y518-R542 HydrophobicContact CD1-CG 3.93Å; Y518-R542 HydrophobicContact CE1-CB 4.19Å; Y518-R542 HydrophobicContact CG-CB 4.24Å; Y518-R542 HydrophobicContact CG-CG 3.95Å; F520-R542 HydrophobicContact CD1-CG 4.32Å; F520-R542 HydrophobicContact CE1-CG 4.04Å; R542-Y544 HydrophobicContact CB-CD2 4.15Å; R542-Y544 HydrophobicContact CB-CE2 3.64Å; R542-Y544 VanDerWaalsContact O-CD2 3.3Å; R542-Y544 WeakPolarHBondContact O-CD2 3.48Å; R542-S557 PolarHBondContact O-OG 3.25Å; R542-L558 PolarHBondContact O-N 2.84Å
543	V	98.8	Very high	98.4	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	127.4	175.7	-174.7	0	0	0	0	109.8	R504 A517 V522 H539 N541	R504-V543 WeakPolarHBondContact CB-O 3.35Å; A517-V543 PolarHBondContact O-N 3.14Å; V522-V543 HydrophobicContact CG2-CG1 4.04Å; V522-V543 HydrophobicContact CG2-CG2 4.08Å; H539-V543 HydrophobicContact CB-CG2 4.27Å; N541-V543 PolarHBondContact O-N 3.32Å
544	Y	98.6	Very high	98.4	Very high	35 Å²	35	41 Å²	41	14%	0.137	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	-32.1	-170.4	-90.4	-86.7	0	0	0	115.1	R504 Y518 R542 G556 L558 L582	R504-Y544 HydrophobicContact CG-CD1 4.02Å; R504-Y544 HydrophobicContact CG-CG 4.46Å; R504-Y544 PolarHBondContact NH1-O 3.22Å; Y518-Y544 HydrophobicContact CE1-CD1 4.36Å; Y518-Y544 AromaticContact CE1-CE1 3.86Å; Y518-Y544 HydrophobicContact CE1-CE1 3.86Å; Y518-Y544 HydrophobicContact CE1-CE2 4.07Å; Y518-Y544 AromaticContact CE1-CZ 3.7Å; Y518-Y544 AromaticContact CZ-CE1 3.98Å; Y518-Y544 AromaticContact CZ-CZ 3.89Å; Y518-Y544 WeakPolarHBondContact OH-CE1 2.9Å; Y518-Y544 PolarHBondContact OH-OH 3.21Å; R542-Y544 HydrophobicContact CB-CD2 4.15Å; R542-Y544 HydrophobicContact CB-CE2 3.64Å; R542-Y544 VanDerWaalsContact O-CD2 3.3Å; R542-Y544 WeakPolarHBondContact O-CD2 3.48Å; Y544-G556 PolarHBondContact N-O 3.36Å; Y544-L558 HydrophobicContact CD2-CB 4.06Å; Y544-L558 HydrophobicContact CE2-CB 3.92Å; Y544-L558 HydrophobicContact CE2-CD2 4.22Å; Y544-L582 HydrophobicContact CD1-CD1 3.91Å; Y544-L582 HydrophobicContact CD2-CD1 3.53Å; Y544-L582 HydrophobicContact CD2-CG 4.04Å; Y544-L582 HydrophobicContact CE1-CD1 3.86Å; Y544-L582 HydrophobicContact CE2-CD1 3.48Å; Y544-L582 VanDerWaalsContact CE2-CD1 3.48Å; Y544-L582 HydrophobicContact CE2-CG 4.45Å; Y544-L582 HydrophobicContact CG-CD1 3.75Å; Y544-L582 HydrophobicContact CG-CD2 4.35Å; Y544-L582 HydrophobicContact CG-CG 4.1Å
545	S	97.8	Very high	98.4	Very high	8 Å²	8	38.6 Å²	38.6	6%	0.056	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	146.9	-176.1	53.7	0	0	0	0	111.1	S555 G556 T583 M586	S545-S555 WeakPolarHBondContact O-CA 3.41Å; S545-G556 PolarHBondContact N-O 2.88Å; S545-G556 VanDerWaalsContact N-O 3.14Å; S545-G556 PolarHBondContact O-N 3Å; S545-T583 PolarHBondContact OG-O 3.14Å; S545-M586 WeakPolarHBondContact O-CE 3.34Å
546	L	98.5	Very high	98.4	Very high	10 Å²	10	36.1 Å²	36.1	5%	0.052	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	137.2	-173.6	-157.7	154.4	0	0	0	110.6	C505 Q507 V514 V522 V553 V554	C505-L546 HydrophobicContact CB-CB 3.97Å; Q507-L546 HydrophobicContact CB-CD2 3.96Å; Q507-L546 HydrophobicContact CG-CD2 3.49Å; Q507-L546 VanDerWaalsContact CG-CD2 3.49Å; Q507-L546 PolarHBondContact NE2-O 2.91Å; V514-L546 HydrophobicContact CB-CD2 4.07Å; V514-L546 HydrophobicContact CG1-CD1 4.12Å; V514-L546 HydrophobicContact CG1-CD2 3.89Å; V522-L546 HydrophobicContact CG1-CD1 3.93Å; L546-V553 HydrophobicContact CD2-CG1 4.37Å; L546-V554 CarbonylContact C-O 3.45Å; L546-V554 VanDerWaalsContact CA-O 3.29Å; L546-V554 WeakPolarHBondContact CA-O 3.24Å
547	Q	98.8	Very high	98.4	Very high	24 Å²	24	36 Å²	36	11%	0.112	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151.3	171.9	-76.6	-69.3	-7.2	0	0	110	V554 M586 E587 L588	Q547-V554 HydrophobicContact CB-CB 4.36Å; Q547-V554 PolarHBondContact N-O 2.87Å; Q547-V554 PolarHBondContact O-N 3.09Å; Q547-M586 HydrophobicContact CG-CB 4.01Å; Q547-M586 PolarHBondContact NE2-O 3.47Å; Q547-E587 PolarHBondContact NE2-OE2 2.87Å; Q547-L588 HydrophobicContact CB-CB 3.72Å; Q547-L588 HydrophobicContact CB-CD2 4.18Å; Q547-L588 HydrophobicContact CG-CB 4Å
548	F	98.6	Very high	98.4	Very high	22 Å²	22	32.2 Å²	32.2	10%	0.096	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	130.7	-175.7	176.8	-134.6	0	0	0	109.6	Q507 D509 R512 V514 G550 H552 V553 V567	Q507-F548 HydrophobicContact CB-CB 3.76Å; Q507-F548 HydrophobicContact CB-CD1 4.44Å; Q507-F548 HydrophobicContact CG-CB 4.13Å; D509-F548 HydrophobicContact CB-CD1 4.26Å; D509-F548 HydrophobicContact CB-CE1 3.79Å; D509-F548 VanDerWaalsContact CG-CE1 3.48Å; R512-F548 HydrophobicContact CB-CE1 4.05Å; R512-F548 HydrophobicContact CB-CZ 4.05Å; V514-F548 HydrophobicContact CG2-CD1 3.75Å; V514-F548 HydrophobicContact CG2-CD2 4.15Å; V514-F548 HydrophobicContact CG2-CE1 3.9Å; V514-F548 HydrophobicContact CG2-CE2 4.32Å; V514-F548 HydrophobicContact CG2-CG 3.89Å; V514-F548 HydrophobicContact CG2-CZ 4.2Å; F548-G550 VanDerWaalsContact CZ-CA 3.5Å; F548-H552 WeakPolarHBondContact CA-O 3.5Å; F548-H552 WeakPolarHBondContact CD2-O 3.48Å; F548-V553 HydrophobicContact CD2-CG2 3.98Å; F548-V553 HydrophobicContact CE2-CG2 4.36Å; F548-V567 HydrophobicContact CE2-CB 3.9Å; F548-V567 HydrophobicContact CE2-CG1 4.09Å; F548-V567 HydrophobicContact CE2-CG2 3.63Å; F548-V567 HydrophobicContact CZ-CG1 4.49Å; F548-V567 HydrophobicContact CZ-CG2 3.91Å
549	D	97.7	Very high	98.4	Very high	66 Å²	66	32 Å²	32	35%	0.353	17%	0.165	S	C	.	.			trans	-113.3	11.8	-177.4	70.1	4.7	0	0	0	114.1	I551 H552 L588	D549-I551 VanDerWaalsContact C-N 3.33Å; D549-I551 WeakPolarHBondContact OD1-CA 3.43Å; D549-I551 WeakPolarHBondContact OD1-CB 3.42Å; D549-I551 PolarHBondContact OD1-N 2.93Å; D549-H552 PolarHBondContact N-O 2.93Å; D549-H552 IonicContact OD1-CG 3.48Å; D549-H552 PolarHBondContact OD1-N 2.8Å; D549-H552 IonicContact OD1-ND1 2.86Å; D549-H552 PolarHBondContact OD1-ND1 3.46Å; D549-H552 IonicContact OD2-CE1 2.94Å; D549-H552 IonicContact OD2-CG 3.79Å; D549-H552 IonicContact OD2-ND1 3.14Å; D549-H552 PolarHBondContact OD2-ND1 2.86Å; D549-L588 HydrophobicContact CB-CD2 4.01Å
550	G	96.8	Very high	98.4	Very high	18 Å²	18	33.9 Å²	33.9	19%	0.186	18%	0.177	C	C	.	.	S	Bend	trans	88.3	-9.5	-172.9	0	0	0	0	0	114.5	F548	F548-G550 VanDerWaalsContact CZ-CA 3.5Å
551	I	98	Very high	98.4	Very high	99 Å²	99	29.3 Å²	29.3	51%	0.508	15%	0.149	S	C	.	.	S	Bend	trans	-129	-50.4	-178.2	-55	175.7	0	0	0	110.7	D549 V567	D549-I551 VanDerWaalsContact C-N 3.33Å; D549-I551 WeakPolarHBondContact OD1-CA 3.43Å; D549-I551 WeakPolarHBondContact OD1-CB 3.42Å; D549-I551 PolarHBondContact OD1-N 2.93Å; I551-V567 WeakPolarHBondContact O-CB 3.49Å; I551-V567 VanDerWaalsContact O-CG1 3.28Å; I551-V567 WeakPolarHBondContact O-CG1 3.24Å; I551-V567 PolarHBondContact O-N 3.45Å
552	H	98.6	Very high	98.4	Very high	21 Å²	21	26.8 Å²	26.8	10%	0.097	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.8	-177.4	-40.4	97.3	0	0	0	110.5	F548 D549 V564 W565 N591 I607	F548-H552 WeakPolarHBondContact CA-O 3.5Å; F548-H552 WeakPolarHBondContact CD2-O 3.48Å; D549-H552 PolarHBondContact N-O 2.93Å; D549-H552 IonicContact OD1-CG 3.48Å; D549-H552 PolarHBondContact OD1-N 2.8Å; D549-H552 IonicContact OD1-ND1 2.86Å; D549-H552 PolarHBondContact OD1-ND1 3.46Å; D549-H552 IonicContact OD2-CE1 2.94Å; D549-H552 IonicContact OD2-CG 3.79Å; D549-H552 IonicContact OD2-ND1 3.14Å; D549-H552 PolarHBondContact OD2-ND1 2.86Å; H552-V564 HydrophobicContact CB-CG1 4.33Å; H552-W565 CarbonylContact C-O 3.57Å; H552-W565 VanDerWaalsContact CA-O 3.28Å; H552-W565 WeakPolarHBondContact CA-O 3.36Å; H552-N591 PolarHBondContact CE1-OD1 2.94Å; H552-I607 HydrophobicContact CB-CD1 3.7Å
553	V	98.9	Very high	98.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	138.8	162.8	178.1	0	0	0	0	108.2	V514 V522 V524 L536 L546 F548 V564 W565 V567	V514-V553 HydrophobicContact CG1-CB 4.37Å; V514-V553 HydrophobicContact CG1-CG1 3.67Å; V514-V553 HydrophobicContact CG1-CG2 3.73Å; V514-V553 HydrophobicContact CG2-CG2 4.06Å; V522-V553 HydrophobicContact CG1-CG1 4.02Å; V524-V553 HydrophobicContact CG2-CG2 4.38Å; L536-V553 HydrophobicContact CD1-CB 4.41Å; L536-V553 HydrophobicContact CD1-CG1 4.27Å; L546-V553 HydrophobicContact CD2-CG1 4.37Å; F548-V553 HydrophobicContact CD2-CG2 3.98Å; F548-V553 HydrophobicContact CE2-CG2 4.36Å; V553-V564 CarbonylContact O-C 3.59Å; V553-V564 WeakPolarHBondContact O-CA 3.37Å; V553-W565 HydrophobicContact CB-CB 4.23Å; V553-W565 HydrophobicContact CB-CG 4.47Å; V553-W565 PolarHBondContact N-O 2.9Å; V553-W565 PolarHBondContact O-N 2.91Å; V553-V567 HydrophobicContact CG2-CB 4.26Å; V553-V567 HydrophobicContact CG2-CG2 4.04Å
554	V	98.9	Very high	98.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125	171.4	-174.5	0	0	0	0	109.1	L546 Q547 I562 R563 V564 M586 L588 L593 I607	L546-V554 CarbonylContact C-O 3.45Å; L546-V554 VanDerWaalsContact CA-O 3.29Å; L546-V554 WeakPolarHBondContact CA-O 3.24Å; Q547-V554 HydrophobicContact CB-CB 4.36Å; Q547-V554 PolarHBondContact N-O 2.87Å; Q547-V554 PolarHBondContact O-N 3.09Å; V554-I562 HydrophobicContact CG1-CG2 3.58Å; V554-R563 CarbonylContact C-O 3.58Å; V554-R563 WeakPolarHBondContact CA-O 3.36Å; V554-V564 HydrophobicContact CG2-CG1 4.38Å; V554-V564 HydrophobicContact CG2-CG2 4.34Å; V554-M586 HydrophobicContact CG1-CE 3.97Å; V554-M586 HydrophobicContact CG1-SD 3.96Å; V554-M586 WeakPolarHBondContact O-CE 3.34Å; V554-L588 HydrophobicContact CG2-CD2 4.02Å; V554-L593 HydrophobicContact CG1-CD1 3.92Å; V554-L593 HydrophobicContact CG1-CD2 3.68Å; V554-L593 HydrophobicContact CG1-CG 4.45Å; V554-I607 HydrophobicContact CG2-CD1 4.09Å; V554-I607 HydrophobicContact CG2-CG2 4.45Å
555	S	98.8	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.3	-177.5	55.4	0	0	0	0	112.1	H539 S545 I562 R563 W565	H539-S555 PolarHBondContact CD2-OG 3.3Å; H539-S555 PolarHBondContact NE2-O 2.78Å; H539-S555 PolarHBondContact NE2-OG 3.24Å; S545-S555 WeakPolarHBondContact O-CA 3.41Å; S555-I562 CarbonylContact O-C 3.57Å; S555-I562 VanDerWaalsContact O-CA 3.24Å; S555-I562 WeakPolarHBondContact O-CA 3.33Å; S555-I562 WeakPolarHBondContact O-CG2 3.21Å; S555-R563 PolarHBondContact N-O 3.36Å; S555-R563 PolarHBondContact O-N 3.35Å; S555-W565 PolarHBondContact OG-NE1 2.93Å
556	G	98.8	Very high	98.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131	178.1	0	0	0	0	0	111	Y544 S545	Y544-G556 PolarHBondContact N-O 3.36Å; S545-G556 PolarHBondContact N-O 2.88Å; S545-G556 VanDerWaalsContact N-O 3.14Å; S545-G556 PolarHBondContact O-N 3Å
557	S	98.6	Very high	98.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	170.2	-168.8	177.7	0	0	0	0	113	H539 N541 R542 D559 S561 T583	H539-S557 WeakPolarHBondContact ND1-CB 3.4Å; N541-S557 PolarHBondContact O-OG 2.94Å; N541-S557 VanDerWaalsContact O-OG 3.1Å; R542-S557 PolarHBondContact O-OG 3.25Å; S557-D559 VanDerWaalsContact C-N 3.26Å; S557-D559 VanDerWaalsContact CB-CG 3.44Å; S557-D559 WeakPolarHBondContact CB-OD1 3.34Å; S557-D559 VanDerWaalsContact CB-OD2 3.28Å; S557-D559 WeakPolarHBondContact CB-OD2 3.32Å; S557-D559 PolarHBondContact OG-N 2.79Å; S557-D559 PolarHBondContact OG-OD1 2.9Å; S557-D559 PolarHBondContact OG-OD2 2.92Å; S557-S561 PolarHBondContact N-O 3.47Å; S557-T583 PolarHBondContact O-N 3.4Å
558	L	98.5	Very high	98.4	Very high	54 Å²	54	27.2 Å²	27.2	28%	0.283	14%	0.142	S	C	.	.	S	Bend	trans	-73.4	-16.5	163.5	177.3	55.5	0	0	0	112.2	N541 R542 Y544 T560 L582	N541-L558 HydrophobicContact CB-CB 4.13Å; N541-L558 HydrophobicContact CB-CG 4.45Å; N541-L558 WeakPolarHBondContact OD1-CD2 3.29Å; R542-L558 PolarHBondContact O-N 2.84Å; Y544-L558 HydrophobicContact CD2-CB 4.06Å; Y544-L558 HydrophobicContact CE2-CB 3.92Å; Y544-L558 HydrophobicContact CE2-CD2 4.22Å; L558-T560 PolarHBondContact O-N 2.91Å; L558-L582 HydrophobicContact CB-CD1 4.46Å; L558-L582 HydrophobicContact CD1-CB 3.93Å; L558-L582 HydrophobicContact CD1-CD1 4.11Å; L558-L582 HydrophobicContact CD1-CG 4.48Å
559	D	98.1	Very high	98.4	Very high	26 Å²	26	29.9 Å²	29.9	14%	0.139	16%	0.161	C	C	.	.	S	Bend	trans	-72.7	13.3	173.6	64.8	43	0	0	0	114.9	H539 T540 N541 S557 S561	H539-D559 WeakPolarHBondContact CA-OD2 3.3Å; H539-D559 WeakPolarHBondContact CB-OD2 3.31Å; H539-D559 IonicContact CE1-OD1 3.19Å; H539-D559 IonicContact CG-OD2 3.36Å; H539-D559 IonicContact ND1-OD1 3.35Å; H539-D559 PolarHBondContact ND1-OD1 3.13Å; H539-D559 IonicContact ND1-OD2 2.84Å; H539-D559 PolarHBondContact ND1-OD2 3.21Å; T540-D559 PolarHBondContact N-OD2 2.76Å; T540-D559 VanDerWaalsContact OG1-CB 3.27Å; T540-D559 WeakPolarHBondContact OG1-CB 3.24Å; N541-D559 HydrophobicContact CB-CB 3.9Å; S557-D559 VanDerWaalsContact C-N 3.26Å; S557-D559 VanDerWaalsContact CB-CG 3.44Å; S557-D559 WeakPolarHBondContact CB-OD1 3.34Å; S557-D559 VanDerWaalsContact CB-OD2 3.28Å; S557-D559 WeakPolarHBondContact CB-OD2 3.32Å; S557-D559 PolarHBondContact OG-N 2.79Å; S557-D559 PolarHBondContact OG-OD1 2.9Å; S557-D559 PolarHBondContact OG-OD2 2.92Å; D559-S561 PolarHBondContact O-N 3.44Å; D559-S561 WeakPolarHBondContact OD1-CA 3.49Å; D559-S561 VanDerWaalsContact OD1-CB 3.24Å; D559-S561 WeakPolarHBondContact OD1-CB 3.49Å; D559-S561 PolarHBondContact OD1-N 2.92Å; D559-S561 PolarHBondContact OD1-OG 3.35Å
560	T	98.2	Very high	98.4	Very high	52 Å²	52	27.5 Å²	27.5	32%	0.319	15%	0.152	S	C	.	.	S	Bend	trans	65.7	-10	-176.5	77.9	0	0	0	0	116.3	L558 S581	L558-T560 PolarHBondContact O-N 2.91Å; T560-S581 WeakPolarHBondContact CA-O 3.4Å
561	S	98.3	Very high	98.5	Very high	11 Å²	11	31.4 Å²	31.4	8%	0.077	17%	0.169	C	C	.	.			trans	-88	156.4	178	80.5	0	0	0	0	112.9	H539 S557 D559	H539-S561 PolarHBondContact CE1-OG 2.94Å; H539-S561 PolarHBondContact ND1-OG 2.59Å; S557-S561 PolarHBondContact N-O 3.47Å; D559-S561 PolarHBondContact O-N 3.44Å; D559-S561 WeakPolarHBondContact OD1-CA 3.49Å; D559-S561 VanDerWaalsContact OD1-CB 3.24Å; D559-S561 WeakPolarHBondContact OD1-CB 3.49Å; D559-S561 PolarHBondContact OD1-N 2.92Å; D559-S561 PolarHBondContact OD1-OG 3.35Å
562	I	98.9	Very high	98.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125.6	164.6	-60.4	167.5	0	0	0	107.3	V554 S555 L576 T583 M586 L593 S595	V554-I562 HydrophobicContact CG1-CG2 3.58Å; S555-I562 CarbonylContact O-C 3.57Å; S555-I562 VanDerWaalsContact O-CA 3.24Å; S555-I562 WeakPolarHBondContact O-CA 3.33Å; S555-I562 WeakPolarHBondContact O-CG2 3.21Å; I562-L576 HydrophobicContact CB-CB 4.21Å; I562-L576 HydrophobicContact CB-CD1 4.49Å; I562-L576 HydrophobicContact CG2-CD1 4.22Å; I562-L576 PolarHBondContact N-O 3.47Å; I562-L576 WeakPolarHBondContact O-CB 3.07Å; I562-L576 PolarHBondContact O-N 3.42Å; I562-T583 HydrophobicContact CD1-CG2 3.87Å; I562-T583 HydrophobicContact CG1-CG2 4.11Å; I562-M586 HydrophobicContact CD1-SD 4.11Å; I562-M586 HydrophobicContact CG1-SD 4.27Å; I562-M586 HydrophobicContact CG2-SD 3.78Å; I562-L593 HydrophobicContact CG2-CD2 4.01Å; I562-S595 WeakPolarHBondContact CD1-OG 3.33Å
563	R	98.8	Very high	98.5	Very high	47 Å²	47	31.6 Å²	31.6	18%	0.177	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	140.3	179.3	-69.9	178.4	172.1	-89	3	111.1	G538 V554 S555 W565 C572 H574 T575	G538-R563 VanDerWaalsContact C-NE 3.26Å; G538-R563 PolarHBondContact O-NE 3.47Å; G538-R563 PolarHBondContact O-NH2 3.4Å; V554-R563 CarbonylContact C-O 3.58Å; V554-R563 WeakPolarHBondContact CA-O 3.36Å; S555-R563 PolarHBondContact N-O 3.36Å; S555-R563 PolarHBondContact O-N 3.35Å; R563-W565 HydrophobicContact CB-CD2 4.4Å; R563-W565 HydrophobicContact CB-CH2 4.45Å; R563-W565 HydrophobicContact CB-CZ2 3.58Å; R563-W565 HydrophobicContact CG-CZ2 4.09Å; R563-C572 PolarHBondContact NH1-SG 2.95Å; R563-H574 WeakPolarHBondContact CA-O 3.42Å; R563-T575 HydrophobicContact CG-CG2 4.17Å; R563-T575 PolarHBondContact NH1-OG1 3.03Å
564	V	98.9	Very high	98.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.6	174.1	-174.7	0	0	0	0	107.7	H552 V553 V554 I573 H574 L576 I607	H552-V564 HydrophobicContact CB-CG1 4.33Å; V553-V564 CarbonylContact O-C 3.59Å; V553-V564 WeakPolarHBondContact O-CA 3.37Å; V554-V564 HydrophobicContact CG2-CG1 4.38Å; V554-V564 HydrophobicContact CG2-CG2 4.34Å; V564-I573 HydrophobicContact CG1-CD1 4.33Å; V564-I573 PolarHBondContact O-N 3.15Å; V564-H574 HydrophobicContact CB-CB 4.12Å; V564-H574 HydrophobicContact CG2-CB 4.21Å; V564-H574 PolarHBondContact N-O 2.97Å; V564-H574 PolarHBondContact O-N 3.49Å; V564-L576 HydrophobicContact CG2-CD1 3.93Å; V564-L576 HydrophobicContact CG2-CG 4.24Å; V564-I607 HydrophobicContact CG1-CB 4.11Å; V564-I607 HydrophobicContact CG1-CD1 4.27Å; V564-I607 HydrophobicContact CG2-CB 4.1Å; V564-I607 HydrophobicContact CG2-CG2 4.17Å
565	W	98.9	Very high	98.5	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.015	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	148.8	-173.9	-35.3	77	0	0	0	111.4	L536 Q537 H552 V553 S555 R563 N571 C572	L536-W565 HydrophobicContact CB-CD2 3.91Å; L536-W565 HydrophobicContact CB-CE3 3.74Å; L536-W565 HydrophobicContact CB-CH2 3.95Å; L536-W565 HydrophobicContact CB-CZ2 4.1Å; L536-W565 HydrophobicContact CB-CZ3 3.77Å; L536-W565 HydrophobicContact CD1-CB 3.96Å; L536-W565 HydrophobicContact CD1-CD2 3.91Å; L536-W565 HydrophobicContact CD1-CE3 4.38Å; L536-W565 HydrophobicContact CD1-CG 3.74Å; L536-W565 HydrophobicContact CD2-CE3 4.45Å; L536-W565 HydrophobicContact CG-CD2 4.41Å; L536-W565 HydrophobicContact CG-CE3 4.41Å; Q537-W565 VanDerWaalsContact O-CH2 3.28Å; Q537-W565 WeakPolarHBondContact O-CH2 3.34Å; Q537-W565 WeakPolarHBondContact O-CZ3 3.43Å; H552-W565 CarbonylContact C-O 3.57Å; H552-W565 VanDerWaalsContact CA-O 3.28Å; H552-W565 WeakPolarHBondContact CA-O 3.36Å; V553-W565 HydrophobicContact CB-CB 4.23Å; V553-W565 HydrophobicContact CB-CG 4.47Å; V553-W565 PolarHBondContact N-O 2.9Å; V553-W565 PolarHBondContact O-N 2.91Å; S555-W565 PolarHBondContact OG-NE1 2.93Å; R563-W565 HydrophobicContact CB-CD2 4.4Å; R563-W565 HydrophobicContact CB-CH2 4.45Å; R563-W565 HydrophobicContact CB-CZ2 3.58Å; R563-W565 HydrophobicContact CG-CZ2 4.09Å; W565-N571 CarbonylContact C-O 3.5Å; W565-N571 VanDerWaalsContact CA-O 3.24Å; W565-N571 WeakPolarHBondContact CA-O 3.42Å; W565-C572 HydrophobicContact CD2-CB 4.37Å; W565-C572 HydrophobicContact CE3-CB 3.57Å; W565-C572 HydrophobicContact CZ3-CB 3.69Å
566	D	98.6	Very high	98.5	Very high	42 Å²	42	37 Å²	37	23%	0.225	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	124.4	170.9	176.4	-90.8	0	0	0	110.1	E568 T569 G570 N571 I573	D566-E568 PolarHBondContact O-N 3.42Å; D566-E568 PolarHBondContact OD1-N 3.36Å; D566-T569 VanDerWaalsContact OD1-CB 3.3Å; D566-T569 WeakPolarHBondContact OD1-CB 3.48Å; D566-T569 WeakPolarHBondContact OD1-CG2 3.36Å; D566-T569 PolarHBondContact OD1-N 2.85Å; D566-T569 PolarHBondContact OD1-OG1 3.3Å; D566-G570 WeakPolarHBondContact O-CA 3.43Å; D566-G570 PolarHBondContact O-N 3.36Å; D566-N571 PolarHBondContact N-O 3.08Å; D566-I573 HydrophobicContact CB-CD1 4.01Å; D566-I573 HydrophobicContact CB-CG1 4.14Å
567	V	98.3	Very high	98.5	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.03	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-27.5	-171.6	77.9	0	0	0	0	113.9	V524 H534 F548 I551 V553	V524-V567 HydrophobicContact CG1-CG2 3.73Å; V524-V567 HydrophobicContact CG2-CG2 4.2Å; H534-V567 PolarHBondContact CD2-O 2.65Å; F548-V567 HydrophobicContact CE2-CB 3.9Å; F548-V567 HydrophobicContact CE2-CG1 4.09Å; F548-V567 HydrophobicContact CE2-CG2 3.63Å; F548-V567 HydrophobicContact CZ-CG1 4.49Å; F548-V567 HydrophobicContact CZ-CG2 3.91Å; I551-V567 WeakPolarHBondContact O-CB 3.49Å; I551-V567 VanDerWaalsContact O-CG1 3.28Å; I551-V567 WeakPolarHBondContact O-CG1 3.24Å; I551-V567 PolarHBondContact O-N 3.45Å; V553-V567 HydrophobicContact CG2-CB 4.26Å; V553-V567 HydrophobicContact CG2-CG2 4.04Å
568	E	97.9	Very high	98.3	Very high	103 Å²	103	44 Å²	44	48%	0.481	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-38.2	-177	-59.7	-71.2	-179.2	0	0	111	R511 H534 D566	R511-E568 IonicContact CZ-OE1 3.26Å; R511-E568 IonicContact CZ-OE2 2.84Å; R511-E568 IonicContact NH1-OE1 2.77Å; R511-E568 PolarHBondContact NH1-OE1 2.55Å; R511-E568 VanDerWaalsContact NH2-CD 3.28Å; R511-E568 IonicContact NH2-OE1 2.65Å; R511-E568 PolarHBondContact NH2-OE1 3.14Å; R511-E568 IonicContact NH2-OE2 3.62Å; R511-E568 PolarHBondContact NH2-OE2 2.61Å; H534-E568 PolarHBondContact NE2-O 2.86Å; D566-E568 PolarHBondContact O-N 3.42Å; D566-E568 PolarHBondContact OD1-N 3.36Å
569	T	98.3	Very high	98.3	Very high	78 Å²	78	41.8 Å²	41.8	48%	0.479	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-15.9	-176.4	66.6	0	0	0	0	114.8	H534 D566 N571	H534-T569 VanDerWaalsContact CE1-C 3.47Å; D566-T569 VanDerWaalsContact OD1-CB 3.3Å; D566-T569 WeakPolarHBondContact OD1-CB 3.48Å; D566-T569 WeakPolarHBondContact OD1-CG2 3.36Å; D566-T569 PolarHBondContact OD1-N 2.85Å; D566-T569 PolarHBondContact OD1-OG1 3.3Å; T569-N571 VanDerWaalsContact CB-ND2 3.26Å; T569-N571 WeakPolarHBondContact CB-ND2 3.19Å; T569-N571 PolarHBondContact O-N 3.04Å; T569-N571 PolarHBondContact OG1-ND2 2.67Å
570	G	98	Very high	98.3	Very high	16 Å²	16	48.4 Å²	48.4	17%	0.165	27%	0.274	C	S	.	.			trans	75.2	4.4	-178.2	0	0	0	0	0	115	L536 D566	L536-G570 VanDerWaalsContact CD2-O 3.32Å; L536-G570 WeakPolarHBondContact CD2-O 3.27Å; D566-G570 WeakPolarHBondContact O-CA 3.43Å; D566-G570 PolarHBondContact O-N 3.36Å
571	N	98.5	Very high	98.3	Very high	101 Å²	101	48 Å²	48	54%	0.54	27%	0.273	S	S	.	.			trans	-76.8	140.4	-177.1	-70.5	-67	0	0	0	112.4	W565 D566 T569 I573	W565-N571 CarbonylContact C-O 3.5Å; W565-N571 VanDerWaalsContact CA-O 3.24Å; W565-N571 WeakPolarHBondContact CA-O 3.42Å; D566-N571 PolarHBondContact N-O 3.08Å; T569-N571 VanDerWaalsContact CB-ND2 3.26Å; T569-N571 WeakPolarHBondContact CB-ND2 3.19Å; T569-N571 PolarHBondContact O-N 3.04Å; T569-N571 PolarHBondContact OG1-ND2 2.67Å; N571-I573 PolarHBondContact O-N 2.85Å
572	C	98.6	Very high	98.2	Very high	50 Å²	50	49 Å²	49	34%	0.338	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	117	166.8	-169.7	0	0	0	0	109.4	R563 W565 H574	R563-C572 PolarHBondContact NH1-SG 2.95Å; W565-C572 HydrophobicContact CD2-CB 4.37Å; W565-C572 HydrophobicContact CE3-CB 3.57Å; W565-C572 HydrophobicContact CZ3-CB 3.69Å; C572-H574 PolarHBondContact SG-O 3.19Å
573	I	98.6	Very high	98.2	Very high	73 Å²	73	49 Å²	49	37%	0.374	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-48.4	176.9	-46.3	177.1	0	0	0	110	V564 D566 N571	V564-I573 HydrophobicContact CG1-CD1 4.33Å; V564-I573 PolarHBondContact O-N 3.15Å; D566-I573 HydrophobicContact CB-CD1 4.01Å; D566-I573 HydrophobicContact CB-CG1 4.14Å; N571-I573 PolarHBondContact O-N 2.85Å
574	H	98.7	Very high	97.8	Very high	45 Å²	45	48.4 Å²	48.4	21%	0.208	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	145.7	-176.7	-65.1	-73.8	0	0	0	111.6	R563 V564 C572 L576 I607 K608 T609 G610	R563-H574 WeakPolarHBondContact CA-O 3.42Å; V564-H574 HydrophobicContact CB-CB 4.12Å; V564-H574 HydrophobicContact CG2-CB 4.21Å; V564-H574 PolarHBondContact N-O 2.97Å; V564-H574 PolarHBondContact O-N 3.49Å; C572-H574 PolarHBondContact SG-O 3.19Å; H574-L576 HydrophobicContact CB-CD2 3.9Å; H574-L576 HydrophobicContact CB-CG 4.5Å; H574-I607 PolarHBondContact CD2-O 2.94Å; H574-I607 PolarHBondContact NE2-O 3.37Å; H574-K608 PolarHBondContact NE2-O 2.89Å; H574-T609 VanDerWaalsContact CE1-C 3.48Å; H574-T609 PolarHBondContact CE1-O 3.28Å; H574-G610 PolarHBondContact CE1-N 2.81Å; H574-G610 PolarHBondContact NE2-N 2.93Å
575	T	98.7	Very high	97.3	Very high	62 Å²	62	49.2 Å²	49.2	38%	0.38	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	103.6	162.5	-54	0	0	0	0	107.6	R563 T577	R563-T575 HydrophobicContact CG-CG2 4.17Å; R563-T575 PolarHBondContact NH1-OG1 3.03Å; T575-T577 HydrophobicContact CG2-CG2 4.1Å
576	L	98.6	Very high	97.3	Very high	8 Å²	8	49.7 Å²	49.7	4%	0.042	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	124.4	-179.5	-47.8	177.9	0	0	0	108.6	I562 V564 H574 L593 W605	I562-L576 HydrophobicContact CB-CB 4.21Å; I562-L576 HydrophobicContact CB-CD1 4.49Å; I562-L576 HydrophobicContact CG2-CD1 4.22Å; I562-L576 PolarHBondContact N-O 3.47Å; I562-L576 WeakPolarHBondContact O-CB 3.07Å; I562-L576 PolarHBondContact O-N 3.42Å; V564-L576 HydrophobicContact CG2-CD1 3.93Å; V564-L576 HydrophobicContact CG2-CG 4.24Å; H574-L576 HydrophobicContact CB-CD2 3.9Å; H574-L576 HydrophobicContact CB-CG 4.5Å; L576-L593 HydrophobicContact CD1-CD2 4.04Å; L576-W605 HydrophobicContact CB-CD2 4.36Å; L576-W605 HydrophobicContact CB-CE3 3.97Å; L576-W605 HydrophobicContact CB-CH2 3.97Å; L576-W605 HydrophobicContact CB-CZ2 4.34Å; L576-W605 HydrophobicContact CB-CZ3 3.77Å; L576-W605 HydrophobicContact CD1-CB 4.24Å; L576-W605 HydrophobicContact CD1-CD2 3.92Å; L576-W605 HydrophobicContact CD1-CE3 4.07Å; L576-W605 HydrophobicContact CD1-CG 4.01Å; L576-W605 HydrophobicContact CD2-CE3 4.15Å; L576-W605 HydrophobicContact CG-CE3 4.28Å
577	T	97.9	Very high	97.3	Very high	99 Å²	99	50 Å²	50	61%	0.607	29%	0.292	S	S	*	.			trans	-128.9	163.5	-172.6	58.3	0	0	0	0	112	T575 W605	T575-T577 HydrophobicContact CG2-CG2 4.1Å; T577-W605 WeakPolarHBondContact O-CH2 3.46Å
578	G	96	Very high	97.3	Very high	46 Å²	46	50.9 Å²	50.9	47%	0.474	30%	0.296	S	S	.	.			trans	103.9	10.1	178.7	0	0	0	0	0	115.2	K603	G578-K603 WeakPolarHBondContact O-CE 3.43Å; G578-K603 PolarHBondContact O-NZ 3.18Å
579	H	97.9	Very high	97.2	Very high	9 Å²	9	51.8 Å²	51.8	4%	0.042	30%	0.298	C	S	.	.			trans	-77.1	163.9	145	-86.3	-56.9	0	0	0	109.8	S595 N597 D599 T601 K603	H579-S595 PolarHBondContact NE2-OG 3.38Å; H579-N597 WeakPolarHBondContact CB-ND2 3.11Å; H579-N597 WeakPolarHBondContact CE1-CB 3.32Å; H579-N597 VanDerWaalsContact ND1-CB 3.27Å; H579-N597 WeakPolarHBondContact ND1-CB 3.48Å; H579-D599 VanDerWaalsContact CA-OD2 3.23Å; H579-D599 WeakPolarHBondContact CA-OD2 3.33Å; H579-D599 WeakPolarHBondContact CB-OD2 3.46Å; H579-D599 IonicContact CE1-OD2 3.11Å; H579-D599 IonicContact CG-OD2 3.95Å; H579-D599 IonicContact ND1-OD1 2.71Å; H579-D599 IonicContact ND1-OD2 2.75Å; H579-D599 PolarHBondContact ND1-OD2 2.95Å; H579-T601 PolarHBondContact CE1-OG1 2.98Å; H579-T601 VanDerWaalsContact CE1-OG1 3.29Å; H579-T601 PolarHBondContact ND1-OG1 3.44Å; H579-K603 WeakPolarHBondContact ND1-CE 3.1Å
580	Q	97.6	Very high	97.1	Very high	164 Å²	164	54.2 Å²	54.2	77%	0.766	31%	0.308	S	S	*	.			trans	-123.8	-0.2	-175	-55.6	-170.1	-70.4	0	0	114.2	D599	Q580-D599 HydrophobicContact CB-CB 3.95Å; Q580-D599 PolarHBondContact N-OD2 3.24Å
581	S	98	Very high	97	Very high	43 Å²	43	54.9 Å²	54.9	30%	0.301	31%	0.308	S	S	.	.	S	Bend	trans	-152.1	-160.9	177.3	-164	0	0	0	0	111.5	T560 N597	T560-S581 WeakPolarHBondContact CA-O 3.4Å; S581-N597 WeakPolarHBondContact CA-OD1 3.3Å; S581-N597 WeakPolarHBondContact CB-OD1 3.29Å; S581-N597 PolarHBondContact N-OD1 3.13Å; S581-N597 PolarHBondContact O-ND2 3.29Å; S581-N597 PolarHBondContact O-OD1 3.14Å
582	L	97.4	Very high	97	Very high	34 Å²	34	52.2 Å²	52.2	18%	0.178	29%	0.293	C	S	.	.			trans	-63	128.2	-178.6	-179.1	151.8	0	0	0	112.6	Y544 L558 S584 N597 A598	Y544-L582 HydrophobicContact CD1-CD1 3.91Å; Y544-L582 HydrophobicContact CD2-CD1 3.53Å; Y544-L582 HydrophobicContact CD2-CG 4.04Å; Y544-L582 HydrophobicContact CE1-CD1 3.86Å; Y544-L582 HydrophobicContact CE2-CD1 3.48Å; Y544-L582 VanDerWaalsContact CE2-CD1 3.48Å; Y544-L582 HydrophobicContact CE2-CG 4.45Å; Y544-L582 HydrophobicContact CG-CD1 3.75Å; Y544-L582 HydrophobicContact CG-CD2 4.35Å; Y544-L582 HydrophobicContact CG-CG 4.1Å; L558-L582 HydrophobicContact CB-CD1 4.46Å; L558-L582 HydrophobicContact CD1-CB 3.93Å; L558-L582 HydrophobicContact CD1-CD1 4.11Å; L558-L582 HydrophobicContact CD1-CG 4.48Å; L582-S584 PolarHBondContact O-N 2.97Å; L582-N597 CarbonylContact O-C 3.6Å; L582-N597 VanDerWaalsContact O-CA 3.32Å; L582-N597 WeakPolarHBondContact O-CA 3.38Å; L582-N597 PolarHBondContact O-ND2 2.99Å; L582-N597 PolarHBondContact O-OD1 2.84Å; L582-A598 HydrophobicContact CB-CB 4.38Å; L582-A598 PolarHBondContact O-N 3.39Å
583	T	97.4	Very high	97.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	98.1	172.6	-60.4	0	0	0	0	110.4	S545 S557 I562 M586 G596 N597	S545-T583 PolarHBondContact OG-O 3.14Å; S557-T583 PolarHBondContact O-N 3.4Å; I562-T583 HydrophobicContact CD1-CG2 3.87Å; I562-T583 HydrophobicContact CG1-CG2 4.11Å; T583-M586 HydrophobicContact CG2-CG 3.71Å; T583-M586 HydrophobicContact CG2-SD 4.09Å; T583-G596 CarbonylContact C-O 3.5Å; T583-N597 WeakPolarHBondContact CA-ND2 3.31Å; T583-N597 PolarHBondContact N-ND2 2.94Å; T583-N597 PolarHBondContact OG1-ND2 3.2Å
584	S	90.3	Very high	97.1	Very high	35 Å²	35	46.3 Å²	46.3	25%	0.245	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-35.7	-168	58.2	0	0	0	0	113.4	L582 G596 V626	L582-S584 PolarHBondContact O-N 2.97Å; S584-G596 PolarHBondContact N-O 3.12Å; S584-G596 PolarHBondContact OG-O 3.21Å; S584-V626 PolarHBondContact OG-O 2.78Å
585	G	89.1	Confident	97.1	Very high	17 Å²	17	44.2 Å²	44.2	18%	0.175	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	142.5	-176.6	0	0	0	0	0	111.9	G596	G585-G596 PolarHBondContact O-N 3.05Å
586	M	98.3	Very high	97.1	Very high	13 Å²	13	41.2 Å²	41.2	6%	0.064	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	144.6	174.4	-63.6	-168.8	-63.1	0	0	109.2	S545 Q547 V554 I562 T583 L593 V594	S545-M586 WeakPolarHBondContact O-CE 3.34Å; Q547-M586 HydrophobicContact CG-CB 4.01Å; Q547-M586 PolarHBondContact NE2-O 3.47Å; V554-M586 HydrophobicContact CG1-CE 3.97Å; V554-M586 HydrophobicContact CG1-SD 3.96Å; V554-M586 WeakPolarHBondContact O-CE 3.34Å; I562-M586 HydrophobicContact CD1-SD 4.11Å; I562-M586 HydrophobicContact CG1-SD 4.27Å; I562-M586 HydrophobicContact CG2-SD 3.78Å; T583-M586 HydrophobicContact CG2-CG 3.71Å; T583-M586 HydrophobicContact CG2-SD 4.09Å; M586-L593 HydrophobicContact CB-CD1 4.1Å; M586-L593 HydrophobicContact CG-CD1 4.5Å; M586-L593 HydrophobicContact SD-CD1 4.13Å; M586-L593 HydrophobicContact SD-CD2 4.35Å; M586-V594 VanDerWaalsContact CA-O 3.31Å; M586-V594 WeakPolarHBondContact CA-O 3.26Å
587	E	98.5	Very high	97.1	Very high	50 Å²	50	40.9 Å²	40.9	23%	0.234	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	137.2	164.3	-68.5	-75.3	-161.4	0	0	108	Q547 V594 L629 Q630 F631 R675	Q547-E587 PolarHBondContact NE2-OE2 2.87Å; E587-V594 PolarHBondContact N-O 2.63Å; E587-V594 PolarHBondContact O-N 3.24Å; E587-L629 HydrophobicContact CB-CD1 3.83Å; E587-L629 HydrophobicContact CG-CD1 3.79Å; E587-Q630 PolarHBondContact OE1-NE2 3.41Å; E587-F631 HydrophobicContact CB-CD1 3.87Å; E587-F631 HydrophobicContact CB-CE1 3.84Å; E587-F631 WeakPolarHBondContact O-CE1 3.46Å; E587-R675 IonicContact OE1-NH1 3.41Å; E587-R675 PolarHBondContact OE1-NH1 3.09Å
588	L	98.3	Very high	97.1	Very high	23 Å²	23	37.9 Å²	37.9	12%	0.12	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131	-178.6	174.4	62.7	0	0	0	109.2	Q547 D549 V554 L593 I607	Q547-L588 HydrophobicContact CB-CB 3.72Å; Q547-L588 HydrophobicContact CB-CD2 4.18Å; Q547-L588 HydrophobicContact CG-CB 4Å; D549-L588 HydrophobicContact CB-CD2 4.01Å; V554-L588 HydrophobicContact CG2-CD2 4.02Å; L588-L593 HydrophobicContact CB-CD1 4.24Å; L588-L593 HydrophobicContact CD1-CB 4.28Å; L588-L593 HydrophobicContact CD1-CD1 4.49Å; L588-I607 HydrophobicContact CD1-CD1 3.86Å; L588-I607 HydrophobicContact CD1-CG1 4.44Å; L588-I607 HydrophobicContact CD1-CG2 4.4Å; L588-I607 HydrophobicContact CD2-CD1 4.27Å
589	K	97.3	Very high	97.1	Very high	121 Å²	121	37 Å²	37	53%	0.526	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	135.1	172	177.3	167.6	177.3	166.3	0	111.5	N591 I592 F631	K589-N591 PolarHBondContact O-N 2.99Å; K589-N591 VanDerWaalsContact O-N 3.15Å; K589-I592 PolarHBondContact N-O 2.86Å; K589-I592 WeakPolarHBondContact O-CA 3.49Å; K589-I592 WeakPolarHBondContact O-CB 3.45Å; K589-I592 PolarHBondContact O-N 3.19Å; K589-I592 VanDerWaalsContact O-O 3.12Å; K589-F631 HydrophobicContact CB-CE1 4.3Å; K589-F631 HydrophobicContact CB-CE2 4.35Å; K589-F631 HydrophobicContact CB-CZ 3.68Å
590	D	94.6	Very high	97.1	Very high	129 Å²	129	37.4 Å²	37.4	69%	0.69	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	31.8	174.6	-54.3	-35.5	0	0	0	113.8	I592	D590-I592 PolarHBondContact O-N 3.41Å
591	N	97.6	Very high	97.1	Very high	31 Å²	31	30.5 Å²	30.5	17%	0.166	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	4.2	-171.7	-39.7	-105.2	0	0	0	115.4	H552 K589 I607 K608	H552-N591 PolarHBondContact CE1-OD1 2.94Å; K589-N591 PolarHBondContact O-N 2.99Å; K589-N591 VanDerWaalsContact O-N 3.15Å; N591-I607 HydrophobicContact CB-CG1 4Å; N591-I607 WeakPolarHBondContact O-CG1 3.49Å; N591-I607 PolarHBondContact O-N 3.24Å; N591-K608 HydrophobicContact CB-CD 4.09Å; N591-K608 HydrophobicContact CB-CG 4.27Å; N591-K608 VanDerWaalsContact CG-CE 3.5Å; N591-K608 PolarHBondContact ND2-NZ 3.01Å; N591-K608 WeakPolarHBondContact OD1-CE 3.36Å; N591-K608 PolarHBondContact OD1-NZ 3.24Å
592	I	98.5	Very high	97.1	Very high	44 Å²	44	28.6 Å²	28.6	23%	0.226	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	121.7	168.1	-55.7	-56.5	0	0	0	108.9	K589 D590 I604 W605 D606 L613 F631	K589-I592 PolarHBondContact N-O 2.86Å; K589-I592 WeakPolarHBondContact O-CA 3.49Å; K589-I592 WeakPolarHBondContact O-CB 3.45Å; K589-I592 PolarHBondContact O-N 3.19Å; K589-I592 VanDerWaalsContact O-O 3.12Å; D590-I592 PolarHBondContact O-N 3.41Å; I592-I604 HydrophobicContact CG2-CG2 3.74Å; I592-W605 WeakPolarHBondContact CA-O 3.29Å; I592-D606 HydrophobicContact CD1-CB 4.38Å; I592-L613 HydrophobicContact CD1-CD1 3.83Å; I592-F631 HydrophobicContact CB-CE2 4.36Å; I592-F631 HydrophobicContact CB-CZ 4.47Å; I592-F631 HydrophobicContact CG2-CE2 4.09Å; I592-F631 HydrophobicContact CG2-CZ 4.38Å; I592-F631 WeakPolarHBondContact O-CZ 3.39Å
593	L	98.8	Very high	97.2	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.9	174.5	178.6	72.8	0	0	0	109.4	V554 I562 L576 M586 L588 I604 W605 I607	V554-L593 HydrophobicContact CG1-CD1 3.92Å; V554-L593 HydrophobicContact CG1-CD2 3.68Å; V554-L593 HydrophobicContact CG1-CG 4.45Å; I562-L593 HydrophobicContact CG2-CD2 4.01Å; L576-L593 HydrophobicContact CD1-CD2 4.04Å; M586-L593 HydrophobicContact CB-CD1 4.1Å; M586-L593 HydrophobicContact CG-CD1 4.5Å; M586-L593 HydrophobicContact SD-CD1 4.13Å; M586-L593 HydrophobicContact SD-CD2 4.35Å; L588-L593 HydrophobicContact CB-CD1 4.24Å; L588-L593 HydrophobicContact CD1-CB 4.28Å; L588-L593 HydrophobicContact CD1-CD1 4.49Å; L593-I604 CarbonylContact O-C 3.34Å; L593-I604 WeakPolarHBondContact O-CA 3.45Å; L593-W605 HydrophobicContact CB-CB 4.28Å; L593-W605 HydrophobicContact CD2-CG 4.36Å; L593-W605 PolarHBondContact N-O 3.16Å; L593-W605 PolarHBondContact O-N 2.67Å; L593-I607 HydrophobicContact CB-CG2 3.6Å; L593-I607 HydrophobicContact CD2-CG2 4.2Å; L593-I607 HydrophobicContact CG-CG2 4.48Å
594	V	98.8	Very high	97.3	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.7	166.4	-173.6	0	0	0	0	109	M586 E587 V602 K603 I604 L629 F631 V636 L650	M586-V594 VanDerWaalsContact CA-O 3.31Å; M586-V594 WeakPolarHBondContact CA-O 3.26Å; E587-V594 PolarHBondContact N-O 2.63Å; E587-V594 PolarHBondContact O-N 3.24Å; V594-V602 HydrophobicContact CG1-CG1 3.54Å; V594-K603 WeakPolarHBondContact CA-O 3.32Å; V594-I604 HydrophobicContact CG2-CG1 4.31Å; V594-I604 HydrophobicContact CG2-CG2 4.34Å; V594-L629 HydrophobicContact CB-CD1 3.92Å; V594-L629 HydrophobicContact CG1-CD1 3.83Å; V594-L629 HydrophobicContact CG1-CD2 4.14Å; V594-F631 HydrophobicContact CB-CD1 4.01Å; V594-F631 HydrophobicContact CB-CE1 4.31Å; V594-F631 HydrophobicContact CB-CG 4.41Å; V594-F631 HydrophobicContact CG2-CB 4.13Å; V594-F631 HydrophobicContact CG2-CD1 3.6Å; V594-F631 HydrophobicContact CG2-CD2 3.9Å; V594-F631 HydrophobicContact CG2-CE1 3.84Å; V594-F631 HydrophobicContact CG2-CE2 4.11Å; V594-F631 HydrophobicContact CG2-CG 3.62Å; V594-F631 HydrophobicContact CG2-CZ 4.07Å; V594-V636 HydrophobicContact CG1-CG1 3.85Å; V594-V636 HydrophobicContact CG1-CG2 4.26Å; V594-V636 HydrophobicContact CG2-CG2 4.4Å; V594-L650 HydrophobicContact CG2-CD1 4.43Å
595	S	98.8	Very high	97.7	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129	-177.6	60.6	0	0	0	0	111.7	I562 H579 V602 K603 W605	I562-S595 WeakPolarHBondContact CD1-OG 3.33Å; H579-S595 PolarHBondContact NE2-OG 3.38Å; S595-V602 CarbonylContact O-C 3.57Å; S595-V602 VanDerWaalsContact O-CA 3.23Å; S595-V602 WeakPolarHBondContact O-CA 3.23Å; S595-V602 WeakPolarHBondContact O-CG1 3.42Å; S595-K603 PolarHBondContact N-O 3.29Å; S595-K603 PolarHBondContact O-N 3.2Å; S595-W605 PolarHBondContact OG-NE1 3.24Å
596	G	98.4	Very high	98.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	145	172.7	0	0	0	0	0	110.6	T583 S584 G585	T583-G596 CarbonylContact C-O 3.5Å; S584-G596 PolarHBondContact N-O 3.12Å; S584-G596 PolarHBondContact OG-O 3.21Å; G585-G596 PolarHBondContact O-N 3.05Å
597	N	98.6	Very high	98.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	158.1	-166.6	-165.5	-76	0	0	0	112.1	H579 S581 L582 T583 D599 S600 T601 V626	H579-N597 WeakPolarHBondContact CB-ND2 3.11Å; H579-N597 WeakPolarHBondContact CE1-CB 3.32Å; H579-N597 VanDerWaalsContact ND1-CB 3.27Å; H579-N597 WeakPolarHBondContact ND1-CB 3.48Å; S581-N597 WeakPolarHBondContact CA-OD1 3.3Å; S581-N597 WeakPolarHBondContact CB-OD1 3.29Å; S581-N597 PolarHBondContact N-OD1 3.13Å; S581-N597 PolarHBondContact O-ND2 3.29Å; S581-N597 PolarHBondContact O-OD1 3.14Å; L582-N597 CarbonylContact O-C 3.6Å; L582-N597 VanDerWaalsContact O-CA 3.32Å; L582-N597 WeakPolarHBondContact O-CA 3.38Å; L582-N597 PolarHBondContact O-ND2 2.99Å; L582-N597 PolarHBondContact O-OD1 2.84Å; T583-N597 WeakPolarHBondContact CA-ND2 3.31Å; T583-N597 PolarHBondContact N-ND2 2.94Å; T583-N597 PolarHBondContact OG1-ND2 3.2Å; N597-D599 WeakPolarHBondContact CB-OD1 3.24Å; N597-D599 PolarHBondContact O-N 3.02Å; N597-D599 WeakPolarHBondContact OD1-CB 3.37Å; N597-D599 PolarHBondContact OD1-N 2.58Å; N597-D599 PolarHBondContact OD1-OD2 3.35Å; N597-S600 PolarHBondContact O-N 2.93Å; N597-T601 PolarHBondContact N-O 2.94Å; N597-V626 WeakPolarHBondContact O-CB 3.42Å; N597-V626 PolarHBondContact O-N 3.33Å
598	A	98.1	Very high	98.1	Very high	37 Å²	37	30.4 Å²	30.4	31%	0.306	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.6	174.3	0	0	0	0	0	113.3	L582 S600 A625	L582-A598 HydrophobicContact CB-CB 4.38Å; L582-A598 PolarHBondContact O-N 3.39Å; A598-S600 PolarHBondContact O-N 3.21Å; A598-A625 HydrophobicContact CB-CB 4.05Å
599	D	97.1	Very high	98.1	Very high	26 Å²	26	33.3 Å²	33.3	14%	0.139	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	10.3	173.3	70.8	21.5	0	0	0	115.6	H579 Q580 N597 T601	H579-D599 VanDerWaalsContact CA-OD2 3.23Å; H579-D599 WeakPolarHBondContact CA-OD2 3.33Å; H579-D599 WeakPolarHBondContact CB-OD2 3.46Å; H579-D599 IonicContact CE1-OD2 3.11Å; H579-D599 IonicContact CG-OD2 3.95Å; H579-D599 IonicContact ND1-OD1 2.71Å; H579-D599 IonicContact ND1-OD2 2.75Å; H579-D599 PolarHBondContact ND1-OD2 2.95Å; Q580-D599 HydrophobicContact CB-CB 3.95Å; Q580-D599 PolarHBondContact N-OD2 3.24Å; N597-D599 WeakPolarHBondContact CB-OD1 3.24Å; N597-D599 PolarHBondContact O-N 3.02Å; N597-D599 WeakPolarHBondContact OD1-CB 3.37Å; N597-D599 PolarHBondContact OD1-N 2.58Å; N597-D599 PolarHBondContact OD1-OD2 3.35Å; D599-T601 PolarHBondContact O-N 3.11Å; D599-T601 WeakPolarHBondContact OD1-CA 3.34Å; D599-T601 VanDerWaalsContact OD1-CB 3.22Å; D599-T601 WeakPolarHBondContact OD1-CB 3.37Å; D599-T601 WeakPolarHBondContact OD1-CG2 3.49Å; D599-T601 PolarHBondContact OD1-N 2.96Å; D599-T601 PolarHBondContact OD1-OG1 2.88Å; D599-T601 PolarHBondContact OD2-OG1 3.35Å
600	S	97.3	Very high	98.1	Very high	18 Å²	18	28.4 Å²	28.4	13%	0.126	16%	0.159	C	C	.	.	S	Bend	trans	65.5	1.1	-173.4	77	0	0	0	0	116.6	N597 A598 H622 S624	N597-S600 PolarHBondContact O-N 2.93Å; A598-S600 PolarHBondContact O-N 3.21Å; S600-H622 WeakPolarHBondContact CB-O 3.48Å; S600-S624 VanDerWaalsContact CA-O 3.31Å; S600-S624 WeakPolarHBondContact CA-O 3.23Å; S600-S624 WeakPolarHBondContact CB-O 3.13Å
601	T	97.8	Very high	98.3	Very high	20 Å²	20	27.8 Å²	27.8	12%	0.123	15%	0.152	C	C	.	.			trans	-99.8	158	179.2	79.2	0	0	0	0	112.8	H579 N597 D599	H579-T601 PolarHBondContact CE1-OG1 2.98Å; H579-T601 VanDerWaalsContact CE1-OG1 3.29Å; H579-T601 PolarHBondContact ND1-OG1 3.44Å; N597-T601 PolarHBondContact N-O 2.94Å; D599-T601 PolarHBondContact O-N 3.11Å; D599-T601 WeakPolarHBondContact OD1-CA 3.34Å; D599-T601 VanDerWaalsContact OD1-CB 3.22Å; D599-T601 WeakPolarHBondContact OD1-CB 3.37Å; D599-T601 WeakPolarHBondContact OD1-CG2 3.49Å; D599-T601 PolarHBondContact OD1-N 2.96Å; D599-T601 PolarHBondContact OD1-OG1 2.88Å; D599-T601 PolarHBondContact OD2-OG1 3.35Å
602	V	98.8	Very high	98.3	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.3	167	178	0	0	0	0	108.6	V594 S595 T615 L616 V626 L629 V636 T638	V594-V602 HydrophobicContact CG1-CG1 3.54Å; S595-V602 CarbonylContact O-C 3.57Å; S595-V602 VanDerWaalsContact O-CA 3.23Å; S595-V602 WeakPolarHBondContact O-CA 3.23Å; S595-V602 WeakPolarHBondContact O-CG1 3.42Å; V602-T615 CarbonylContact O-C 3.57Å; V602-L616 HydrophobicContact CB-CB 4.13Å; V602-L616 HydrophobicContact CB-CD1 3.96Å; V602-L616 HydrophobicContact CB-CG 4.23Å; V602-L616 HydrophobicContact CG1-CD1 3.81Å; V602-L616 HydrophobicContact CG1-CG 4.39Å; V602-L616 PolarHBondContact O-N 3.45Å; V602-V626 HydrophobicContact CG2-CB 4.26Å; V602-V626 HydrophobicContact CG2-CG1 3.77Å; V602-V626 HydrophobicContact CG2-CG2 3.73Å; V602-L629 HydrophobicContact CG1-CD2 4.48Å; V602-V636 HydrophobicContact CG1-CG1 4.46Å; V602-T638 HydrophobicContact CB-CG2 4.32Å; V602-T638 HydrophobicContact CG1-CG2 4.27Å; V602-T638 HydrophobicContact CG2-CG2 3.71Å
603	K	98.8	Very high	98.3	Very high	21 Å²	21	29.6 Å²	29.6	9%	0.091	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.9	-179.2	-65.1	175.7	-168.4	-86.5	0	111	G578 H579 V594 S595 W605 Q614 T615	G578-K603 WeakPolarHBondContact O-CE 3.43Å; G578-K603 PolarHBondContact O-NZ 3.18Å; H579-K603 WeakPolarHBondContact ND1-CE 3.1Å; V594-K603 WeakPolarHBondContact CA-O 3.32Å; S595-K603 PolarHBondContact N-O 3.29Å; S595-K603 PolarHBondContact O-N 3.2Å; K603-W605 HydrophobicContact CB-CZ2 3.67Å; K603-W605 HydrophobicContact CD-CH2 3.94Å; K603-W605 HydrophobicContact CD-CZ2 3.5Å; K603-W605 HydrophobicContact CG-CZ2 4.2Å; K603-Q614 WeakPolarHBondContact CA-O 3.11Å; K603-T615 HydrophobicContact CG-CG2 4.12Å; K603-T615 PolarHBondContact NZ-OG1 2.9Å; K603-T615 VanDerWaalsContact NZ-OG1 3.13Å
604	I	98.8	Very high	98.3	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	129.5	177.5	-50.8	179.7	0	0	0	107.1	I592 L593 V594 C612 L613 Q614 L616 V636 L650	I592-I604 HydrophobicContact CG2-CG2 3.74Å; L593-I604 CarbonylContact O-C 3.34Å; L593-I604 WeakPolarHBondContact O-CA 3.45Å; V594-I604 HydrophobicContact CG2-CG1 4.31Å; V594-I604 HydrophobicContact CG2-CG2 4.34Å; I604-C612 CarbonylContact O-C 3.59Å; I604-L613 HydrophobicContact CG2-CB 4.38Å; I604-L613 HydrophobicContact CG2-CD1 4.3Å; I604-L613 PolarHBondContact O-N 2.63Å; I604-Q614 HydrophobicContact CB-CB 4.14Å; I604-Q614 HydrophobicContact CD1-CB 3.99Å; I604-Q614 HydrophobicContact CD1-CG 4.3Å; I604-Q614 HydrophobicContact CG1-CB 4.16Å; I604-Q614 PolarHBondContact N-O 3.23Å; I604-Q614 PolarHBondContact O-N 3.18Å; I604-L616 HydrophobicContact CD1-CD2 4.11Å; I604-V636 HydrophobicContact CD1-CG2 3.86Å; I604-V636 HydrophobicContact CG1-CG2 4.42Å; I604-L650 HydrophobicContact CD1-CD1 3.92Å; I604-L650 HydrophobicContact CD1-CG 4.33Å
605	W	98.8	Very high	98.3	Very high	8 Å²	8	33.8 Å²	33.8	3%	0.03	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.3	-174.8	-39.6	79.5	0	0	0	111.4	L576 T577 I592 L593 S595 K603 Q611 C612	L576-W605 HydrophobicContact CB-CD2 4.36Å; L576-W605 HydrophobicContact CB-CE3 3.97Å; L576-W605 HydrophobicContact CB-CH2 3.97Å; L576-W605 HydrophobicContact CB-CZ2 4.34Å; L576-W605 HydrophobicContact CB-CZ3 3.77Å; L576-W605 HydrophobicContact CD1-CB 4.24Å; L576-W605 HydrophobicContact CD1-CD2 3.92Å; L576-W605 HydrophobicContact CD1-CE3 4.07Å; L576-W605 HydrophobicContact CD1-CG 4.01Å; L576-W605 HydrophobicContact CD2-CE3 4.15Å; L576-W605 HydrophobicContact CG-CE3 4.28Å; T577-W605 WeakPolarHBondContact O-CH2 3.46Å; I592-W605 WeakPolarHBondContact CA-O 3.29Å; L593-W605 HydrophobicContact CB-CB 4.28Å; L593-W605 HydrophobicContact CD2-CG 4.36Å; L593-W605 PolarHBondContact N-O 3.16Å; L593-W605 PolarHBondContact O-N 2.67Å; S595-W605 PolarHBondContact OG-NE1 3.24Å; K603-W605 HydrophobicContact CB-CZ2 3.67Å; K603-W605 HydrophobicContact CD-CH2 3.94Å; K603-W605 HydrophobicContact CD-CZ2 3.5Å; K603-W605 HydrophobicContact CG-CZ2 4.2Å; W605-Q611 VanDerWaalsContact CA-O 3.29Å; W605-Q611 WeakPolarHBondContact CA-O 3.18Å; W605-C612 HydrophobicContact CD2-CB 4.45Å; W605-C612 HydrophobicContact CE3-CB 3.64Å; W605-C612 HydrophobicContact CH2-CB 4.42Å; W605-C612 HydrophobicContact CZ3-CB 3.61Å
606	D	98.6	Very high	98.3	Very high	30 Å²	30	33.9 Å²	33.9	16%	0.16	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	113.6	158.3	165.6	23.9	0	0	0	108.6	I592 K608 T609 G610 Q611 L613	I592-D606 HydrophobicContact CD1-CB 4.38Å; D606-K608 PolarHBondContact O-N 3.14Å; D606-K608 WeakPolarHBondContact OD1-CB 3.34Å; D606-K608 PolarHBondContact OD1-N 3.28Å; D606-T609 WeakPolarHBondContact CB-OG1 3.28Å; D606-T609 VanDerWaalsContact CG-OG1 3.25Å; D606-T609 PolarHBondContact O-N 2.96Å; D606-T609 WeakPolarHBondContact OD2-CB 3.27Å; D606-T609 WeakPolarHBondContact OD2-CG2 3.16Å; D606-T609 PolarHBondContact OD2-N 3.31Å; D606-T609 PolarHBondContact OD2-OG1 3.05Å; D606-G610 WeakPolarHBondContact O-CA 3.26Å; D606-G610 PolarHBondContact O-N 2.91Å; D606-Q611 PolarHBondContact N-O 3.32Å; D606-Q611 PolarHBondContact O-N 2.91Å; D606-L613 HydrophobicContact CB-CD1 4.16Å; D606-L613 HydrophobicContact CB-CD2 4.26Å; D606-L613 HydrophobicContact CB-CG 4.33Å
607	I	98.5	Very high	98	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-9.7	-176	71.4	165.8	0	0	0	113.6	H552 V554 V564 H574 L588 N591 L593	H552-I607 HydrophobicContact CB-CD1 3.7Å; V554-I607 HydrophobicContact CG2-CD1 4.09Å; V554-I607 HydrophobicContact CG2-CG2 4.45Å; V564-I607 HydrophobicContact CG1-CB 4.11Å; V564-I607 HydrophobicContact CG1-CD1 4.27Å; V564-I607 HydrophobicContact CG2-CB 4.1Å; V564-I607 HydrophobicContact CG2-CG2 4.17Å; H574-I607 PolarHBondContact CD2-O 2.94Å; H574-I607 PolarHBondContact NE2-O 3.37Å; L588-I607 HydrophobicContact CD1-CD1 3.86Å; L588-I607 HydrophobicContact CD1-CG1 4.44Å; L588-I607 HydrophobicContact CD1-CG2 4.4Å; L588-I607 HydrophobicContact CD2-CD1 4.27Å; N591-I607 HydrophobicContact CB-CG1 4Å; N591-I607 WeakPolarHBondContact O-CG1 3.49Å; N591-I607 PolarHBondContact O-N 3.24Å; L593-I607 HydrophobicContact CB-CG2 3.6Å; L593-I607 HydrophobicContact CD2-CG2 4.2Å; L593-I607 HydrophobicContact CG-CG2 4.48Å
608	K	97.8	Very high	97.8	Very high	125 Å²	125	41.2 Å²	41.2	54%	0.543	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-45.5	173.8	-76.2	169.3	161.7	152.4	0	111.6	H574 N591 D606	H574-K608 PolarHBondContact NE2-O 2.89Å; N591-K608 HydrophobicContact CB-CD 4.09Å; N591-K608 HydrophobicContact CB-CG 4.27Å; N591-K608 VanDerWaalsContact CG-CE 3.5Å; N591-K608 PolarHBondContact ND2-NZ 3.01Å; N591-K608 WeakPolarHBondContact OD1-CE 3.36Å; N591-K608 PolarHBondContact OD1-NZ 3.24Å; D606-K608 PolarHBondContact O-N 3.14Å; D606-K608 WeakPolarHBondContact OD1-CB 3.34Å; D606-K608 PolarHBondContact OD1-N 3.28Å
609	T	98.1	Very high	97.7	Very high	84 Å²	84	45.6 Å²	45.6	52%	0.515	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-18.2	179.1	55.7	0	0	0	0	113.8	H574 D606 Q611	H574-T609 VanDerWaalsContact CE1-C 3.48Å; H574-T609 PolarHBondContact CE1-O 3.28Å; D606-T609 WeakPolarHBondContact CB-OG1 3.28Å; D606-T609 VanDerWaalsContact CG-OG1 3.25Å; D606-T609 PolarHBondContact O-N 2.96Å; D606-T609 WeakPolarHBondContact OD2-CB 3.27Å; D606-T609 WeakPolarHBondContact OD2-CG2 3.16Å; D606-T609 PolarHBondContact OD2-N 3.31Å; D606-T609 PolarHBondContact OD2-OG1 3.05Å; T609-Q611 PolarHBondContact O-N 3.49Å; T609-Q611 WeakPolarHBondContact OG1-CB 3.06Å; T609-Q611 PolarHBondContact OG1-N 3.33Å
610	G	97.9	Very high	97.7	Very high	19 Å²	19	48.2 Å²	48.2	20%	0.196	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	5.7	-170.3	0	0	0	0	0	113.3	H574 D606 C612	H574-G610 PolarHBondContact CE1-N 2.81Å; H574-G610 PolarHBondContact NE2-N 2.93Å; D606-G610 WeakPolarHBondContact O-CA 3.26Å; D606-G610 PolarHBondContact O-N 2.91Å; G610-C612 PolarHBondContact O-N 3.38Å
611	Q	98.4	Very high	97.7	Very high	115 Å²	115	50.6 Å²	50.6	54%	0.537	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	125.2	-175.2	-175.7	179.4	-14.7	0	0	111.3	W605 D606 T609 L613	W605-Q611 VanDerWaalsContact CA-O 3.29Å; W605-Q611 WeakPolarHBondContact CA-O 3.18Å; D606-Q611 PolarHBondContact N-O 3.32Å; D606-Q611 PolarHBondContact O-N 2.91Å; T609-Q611 PolarHBondContact O-N 3.49Å; T609-Q611 WeakPolarHBondContact OG1-CB 3.06Å; T609-Q611 PolarHBondContact OG1-N 3.33Å; Q611-L613 HydrophobicContact CB-CD2 4.35Å; Q611-L613 HydrophobicContact CG-CD2 4.12Å; Q611-L613 PolarHBondContact O-N 3.2Å; Q611-L613 VanDerWaalsContact O-N 3.13Å
612	C	98.5	Very high	97.8	Very high	50 Å²	50	49.8 Å²	49.8	34%	0.338	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	105.3	158.2	-174.5	0	0	0	0	108.6	I604 W605 G610	I604-C612 CarbonylContact O-C 3.59Å; W605-C612 HydrophobicContact CD2-CB 4.45Å; W605-C612 HydrophobicContact CE3-CB 3.64Å; W605-C612 HydrophobicContact CH2-CB 4.42Å; W605-C612 HydrophobicContact CZ3-CB 3.61Å; G610-C612 PolarHBondContact O-N 3.38Å
613	L	98.3	Very high	97.7	Very high	64 Å²	64	55.5 Å²	55.5	34%	0.335	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-40.9	179.7	-59.6	178.8	0	0	0	111.1	I592 I604 D606 Q611	I592-L613 HydrophobicContact CD1-CD1 3.83Å; I604-L613 HydrophobicContact CG2-CB 4.38Å; I604-L613 HydrophobicContact CG2-CD1 4.3Å; I604-L613 PolarHBondContact O-N 2.63Å; D606-L613 HydrophobicContact CB-CD1 4.16Å; D606-L613 HydrophobicContact CB-CD2 4.26Å; D606-L613 HydrophobicContact CB-CG 4.33Å; Q611-L613 HydrophobicContact CB-CD2 4.35Å; Q611-L613 HydrophobicContact CG-CD2 4.12Å; Q611-L613 PolarHBondContact O-N 3.2Å; Q611-L613 VanDerWaalsContact O-N 3.13Å
614	Q	98.5	Very high	97.7	Very high	56 Å²	56	57 Å²	57	26%	0.262	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	151.2	-179.8	-62.7	-63.7	-3.5	0	0	111.5	K603 I604 L616 K651 T652	K603-Q614 WeakPolarHBondContact CA-O 3.11Å; I604-Q614 HydrophobicContact CB-CB 4.14Å; I604-Q614 HydrophobicContact CD1-CB 3.99Å; I604-Q614 HydrophobicContact CD1-CG 4.3Å; I604-Q614 HydrophobicContact CG1-CB 4.16Å; I604-Q614 PolarHBondContact N-O 3.23Å; I604-Q614 PolarHBondContact O-N 3.18Å; Q614-L616 HydrophobicContact CB-CD2 4.45Å; Q614-K651 PolarHBondContact NE2-O 3.28Å; Q614-T652 PolarHBondContact NE2-O 2.82Å; Q614-T652 PolarHBondContact OE1-O 3.07Å
615	T	98.4	Very high	97.6	Very high	31 Å²	31	57.9 Å²	57.9	19%	0.19	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.2	159.5	-63.8	0	0	0	0	107.8	V602 K603 Q617	V602-T615 CarbonylContact O-C 3.57Å; K603-T615 HydrophobicContact CG-CG2 4.12Å; K603-T615 PolarHBondContact NZ-OG1 2.9Å; K603-T615 VanDerWaalsContact NZ-OG1 3.13Å; T615-Q617 HydrophobicContact CG2-CB 4.26Å; T615-Q617 HydrophobicContact CG2-CG 4.07Å; T615-Q617 PolarHBondContact O-N 2.91Å
616	L	98	Very high	97.6	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	102.2	-179.3	-52.1	-174	0	0	0	108.8	V602 I604 Q614 V636 W648 G653	V602-L616 HydrophobicContact CB-CB 4.13Å; V602-L616 HydrophobicContact CB-CD1 3.96Å; V602-L616 HydrophobicContact CB-CG 4.23Å; V602-L616 HydrophobicContact CG1-CD1 3.81Å; V602-L616 HydrophobicContact CG1-CG 4.39Å; V602-L616 PolarHBondContact O-N 3.45Å; I604-L616 HydrophobicContact CD1-CD2 4.11Å; Q614-L616 HydrophobicContact CB-CD2 4.45Å; L616-V636 HydrophobicContact CD1-CB 3.85Å; L616-V636 HydrophobicContact CD1-CG1 4.05Å; L616-V636 HydrophobicContact CD1-CG2 3.97Å; L616-W648 HydrophobicContact CB-CD2 3.9Å; L616-W648 HydrophobicContact CB-CE3 3.77Å; L616-W648 HydrophobicContact CB-CG 4.48Å; L616-W648 HydrophobicContact CB-CH2 4.27Å; L616-W648 HydrophobicContact CB-CZ2 4.35Å; L616-W648 HydrophobicContact CB-CZ3 3.97Å; L616-W648 HydrophobicContact CD1-CB 3.94Å; L616-W648 HydrophobicContact CD1-CD2 4.07Å; L616-W648 HydrophobicContact CD1-CG 3.75Å; L616-W648 HydrophobicContact CD2-CB 4.24Å; L616-W648 HydrophobicContact CD2-CD2 4.45Å; L616-W648 HydrophobicContact CD2-CE3 4.21Å; L616-W648 HydrophobicContact CD2-CG 4.48Å; L616-W648 HydrophobicContact CG-CD2 4.36Å; L616-W648 HydrophobicContact CG-CE3 4.4Å; L616-W648 HydrophobicContact CG-CG 4.47Å; L616-G653 WeakPolarHBondContact CD2-O 3.41Å
617	Q	92.1	Very high	97.6	Very high	117 Å²	117	57.7 Å²	57.7	55%	0.547	32%	0.322	S	S	.	.			trans	-154.8	-158.2	-171.3	64.1	-178.4	-15.3	0	0	111.3	T615	T615-Q617 HydrophobicContact CG2-CB 4.26Å; T615-Q617 HydrophobicContact CG2-CG 4.07Å; T615-Q617 PolarHBondContact O-N 2.91Å
618	G	94.4	Very high	97.6	Very high	38 Å²	38	58.3 Å²	58.3	39%	0.392	33%	0.326	S	S	.	.	S	Bend	trans	93.7	-162.1	178.9	0	0	0	0	0	112.9	N620 K621	G618-N620 PolarHBondContact O-N 2.84Å; G618-N620 VanDerWaalsContact O-N 3.09Å; G618-K621 WeakPolarHBondContact O-CB 3.2Å; G618-K621 WeakPolarHBondContact O-CG 3.4Å; G618-K621 PolarHBondContact O-N 2.82Å
619	P	97.1	Very high	97.6	Very high	128 Å²	128	52.5 Å²	52.5	83%	0.831	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.9	-170	-27.5	35.5	0	0	0	114.9
620	N	97.9	Very high	97.6	Very high	81 Å²	81	49.8 Å²	49.8	43%	0.433	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	19.1	-177.7	-62.5	-65.8	0	0	0	113.5	G618 K646 F655	G618-N620 PolarHBondContact O-N 2.84Å; G618-N620 VanDerWaalsContact O-N 3.09Å; N620-K646 WeakPolarHBondContact O-CD 3.27Å; N620-K646 VanDerWaalsContact O-CE 3.27Å; N620-K646 WeakPolarHBondContact O-CE 3.49Å; N620-K646 PolarHBondContact O-NZ 3.03Å; N620-F655 HydrophobicContact CB-CB 4.07Å; N620-F655 HydrophobicContact CB-CD1 3.46Å; N620-F655 VanDerWaalsContact CB-CD1 3.46Å; N620-F655 HydrophobicContact CB-CD2 3.62Å; N620-F655 HydrophobicContact CB-CE1 3.58Å; N620-F655 HydrophobicContact CB-CE2 3.75Å; N620-F655 HydrophobicContact CB-CG 3.44Å; N620-F655 VanDerWaalsContact CB-CG 3.44Å; N620-F655 HydrophobicContact CB-CZ 3.7Å; N620-F655 VanDerWaalsContact CG-CE1 3.47Å; N620-F655 WeakPolarHBondContact ND2-CD1 3.28Å
621	K	97.3	Very high	97.7	Very high	69 Å²	69	50.8 Å²	50.8	30%	0.3	28%	0.282	S	S	.	.			trans	-51.7	166.3	174.8	65.8	172	-117.8	-65.7	0	112.8	G618 Q623 K646	G618-K621 WeakPolarHBondContact O-CB 3.2Å; G618-K621 WeakPolarHBondContact O-CG 3.4Å; G618-K621 PolarHBondContact O-N 2.82Å; K621-Q623 PolarHBondContact O-NE2 3.28Å; K621-K646 WeakPolarHBondContact O-CE 3.46Å; K621-K646 PolarHBondContact O-NZ 3.46Å
622	H	98.4	Very high	97.6	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.009	27%	0.272	C	S	.	.			trans	-67.9	151.3	164.5	-76.3	-67.2	0	0	0	110.5	S600 T638 S640 D642 T644 K646	S600-H622 WeakPolarHBondContact CB-O 3.48Å; H622-T638 WeakPolarHBondContact NE2-CB 3.37Å; H622-T638 PolarHBondContact NE2-OG1 3.05Å; H622-S640 VanDerWaalsContact CE1-CB 3.46Å; H622-S640 WeakPolarHBondContact CE1-CB 3.18Å; H622-S640 WeakPolarHBondContact ND1-CB 3.31Å; H622-D642 WeakPolarHBondContact CA-OD2 3.34Å; H622-D642 WeakPolarHBondContact CB-OD2 2.98Å; H622-D642 IonicContact CE1-OD1 2.71Å; H622-D642 IonicContact CG-OD2 3.99Å; H622-D642 IonicContact ND1-OD1 3.52Å; H622-D642 PolarHBondContact ND1-OD1 3.2Å; H622-D642 VanDerWaalsContact ND1-OD1 3.14Å; H622-D642 IonicContact ND1-OD2 3.07Å; H622-D642 PolarHBondContact ND1-OD2 3.28Å; H622-T644 PolarHBondContact CE1-OG1 3Å; H622-T644 VanDerWaalsContact CE1-OG1 3.25Å; H622-T644 PolarHBondContact ND1-OG1 2.93Å; H622-K646 VanDerWaalsContact CE1-CE 3.48Å; H622-K646 WeakPolarHBondContact CE1-CE 3.47Å; H622-K646 WeakPolarHBondContact ND1-CE 3.44Å
623	Q	97.7	Very high	97.4	Very high	122 Å²	122	50.4 Å²	50.4	57%	0.57	28%	0.276	S	S	*	.	S	Bend	trans	-100	-10.7	178.4	-49.7	-51.4	-38.5	0	0	113.3	K621 D642	K621-Q623 PolarHBondContact O-NE2 3.28Å; Q623-D642 HydrophobicContact CB-CB 4.14Å; Q623-D642 PolarHBondContact N-OD2 3.42Å
624	S	97.2	Very high	97.2	Very high	53 Å²	53	48 Å²	48	37%	0.371	26%	0.263	S	S	.	.	S	Bend	trans	-138.3	-174.5	175.5	-166.5	0	0	0	0	110.1	S600 S640	S600-S624 VanDerWaalsContact CA-O 3.31Å; S600-S624 WeakPolarHBondContact CA-O 3.23Å; S600-S624 WeakPolarHBondContact CB-O 3.13Å; S624-S640 PolarHBondContact O-OG 3.46Å
625	A	97.9	Very high	97.1	Very high	21 Å²	21	45.5 Å²	45.5	17%	0.174	25%	0.251	C	S	.	.			trans	-51.4	143.9	-179.4	0	0	0	0	0	113.2	A598 S640 D641	A598-A625 HydrophobicContact CB-CB 4.05Å; A625-S640 VanDerWaalsContact O-CA 3.23Å; A625-S640 WeakPolarHBondContact O-CA 3.32Å; A625-S640 WeakPolarHBondContact O-CB 3.49Å; A625-S640 PolarHBondContact O-OG 2.99Å; A625-D641 PolarHBondContact O-N 2.91Å
626	V	98.6	Very high	97.2	Very high	1 Å²	1	44 Å²	44	1%	0.006	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	120.4	172.2	-178.5	0	0	0	0	108.3	S584 N597 V602 S639	S584-V626 PolarHBondContact OG-O 2.78Å; N597-V626 WeakPolarHBondContact O-CB 3.42Å; N597-V626 PolarHBondContact O-N 3.33Å; V602-V626 HydrophobicContact CG2-CB 4.26Å; V602-V626 HydrophobicContact CG2-CG1 3.77Å; V602-V626 HydrophobicContact CG2-CG2 3.73Å; V626-S639 CarbonylContact C-O 3.55Å; V626-S639 WeakPolarHBondContact CA-O 3.43Å; V626-S639 WeakPolarHBondContact CG1-O 3.36Å
627	T	98.3	Very high	97.2	Very high	33 Å²	33	44.3 Å²	44.3	20%	0.202	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-36.1	-171.8	57.2	0	0	0	0	112.4	S639 S640 D641 V671 W672	T627-S639 PolarHBondContact N-O 3.44Å; T627-S639 VanDerWaalsContact OG1-C 3.22Å; T627-S639 PolarHBondContact OG1-O 3.29Å; T627-S639 PolarHBondContact OG1-OG 3.04Å; T627-S640 PolarHBondContact OG1-N 2.85Å; T627-D641 WeakPolarHBondContact CG2-OD1 3.33Å; T627-V671 PolarHBondContact OG1-O 3.36Å; T627-W672 VanDerWaalsContact CB-O 3.24Å; T627-W672 WeakPolarHBondContact CB-O 3.27Å; T627-W672 PolarHBondContact OG1-O 3.5Å
628	C	98.5	Very high	97.5	Very high	13 Å²	13	38.8 Å²	38.8	9%	0.088	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	158	-178.2	-165.5	0	0	0	0	110.9	S639 R673 I674	C628-S639 WeakPolarHBondContact CB-OG 3.48Å; C628-S639 PolarHBondContact N-OG 3.48Å; C628-S639 PolarHBondContact O-N 3.22Å; C628-S639 PolarHBondContact O-OG 3.32Å; C628-R673 HydrophobicContact CB-CB 4.48Å; C628-I674 HydrophobicContact CB-CG1 4.04Å
629	L	98.5	Very high	97.7	Very high	4 Å²	4	37 Å²	37	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	155.5	176.6	68.3	92.5	0	0	0	111	E587 V594 V602 I637 T638	E587-L629 HydrophobicContact CB-CD1 3.83Å; E587-L629 HydrophobicContact CG-CD1 3.79Å; V594-L629 HydrophobicContact CB-CD1 3.92Å; V594-L629 HydrophobicContact CG1-CD1 3.83Å; V594-L629 HydrophobicContact CG1-CD2 4.14Å; V602-L629 HydrophobicContact CG1-CD2 4.48Å; L629-I637 CarbonylContact C-O 3.56Å; L629-I637 VanDerWaalsContact CA-O 3.23Å; L629-I637 WeakPolarHBondContact CA-O 3.31Å; L629-T638 HydrophobicContact CB-CG2 4.47Å
630	Q	98.6	Very high	97.8	Very high	27 Å²	27	30.9 Å²	30.9	13%	0.126	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	148	167.3	-64.9	-71.1	-102.6	0	0	107.9	E587 I637 I674 R675 A676	E587-Q630 PolarHBondContact OE1-NE2 3.41Å; Q630-I637 PolarHBondContact N-O 2.59Å; Q630-I637 PolarHBondContact O-N 3.44Å; Q630-I674 HydrophobicContact CG-CD1 4.37Å; Q630-I674 HydrophobicContact CG-CG1 4.31Å; Q630-R675 VanDerWaalsContact NE2-NH1 3.13Å; Q630-A676 HydrophobicContact CB-CB 4.43Å
631	F	98.4	Very high	97.8	Very high	40 Å²	40	29.8 Å²	29.8	18%	0.175	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	163.2	177.1	85	-81.4	0	0	0	113.8	E587 K589 I592 V594 F635 V636 L650	E587-F631 HydrophobicContact CB-CD1 3.87Å; E587-F631 HydrophobicContact CB-CE1 3.84Å; E587-F631 WeakPolarHBondContact O-CE1 3.46Å; K589-F631 HydrophobicContact CB-CE1 4.3Å; K589-F631 HydrophobicContact CB-CE2 4.35Å; K589-F631 HydrophobicContact CB-CZ 3.68Å; I592-F631 HydrophobicContact CB-CE2 4.36Å; I592-F631 HydrophobicContact CB-CZ 4.47Å; I592-F631 HydrophobicContact CG2-CE2 4.09Å; I592-F631 HydrophobicContact CG2-CZ 4.38Å; I592-F631 WeakPolarHBondContact O-CZ 3.39Å; V594-F631 HydrophobicContact CB-CD1 4.01Å; V594-F631 HydrophobicContact CB-CE1 4.31Å; V594-F631 HydrophobicContact CB-CG 4.41Å; V594-F631 HydrophobicContact CG2-CB 4.13Å; V594-F631 HydrophobicContact CG2-CD1 3.6Å; V594-F631 HydrophobicContact CG2-CD2 3.9Å; V594-F631 HydrophobicContact CG2-CE1 3.84Å; V594-F631 HydrophobicContact CG2-CE2 4.11Å; V594-F631 HydrophobicContact CG2-CG 3.62Å; V594-F631 HydrophobicContact CG2-CZ 4.07Å; F631-F635 CarbonylContact C-O 3.56Å; F631-F635 VanDerWaalsContact CA-O 3.22Å; F631-F635 WeakPolarHBondContact CA-O 3.46Å; F631-F635 VanDerWaalsContact CB-O 3.3Å; F631-F635 WeakPolarHBondContact CB-O 3.12Å; F631-V636 HydrophobicContact CB-CB 4.42Å; F631-V636 HydrophobicContact CB-CG1 4.35Å; F631-V636 HydrophobicContact CB-CG2 4.1Å; F631-L650 HydrophobicContact CB-CD1 4.39Å; F631-L650 HydrophobicContact CD2-CD1 3.68Å; F631-L650 HydrophobicContact CE2-CD1 4.38Å; F631-L650 HydrophobicContact CG-CD1 4.4Å
632	N	96.3	Very high	97.8	Very high	62 Å²	62	27.5 Å²	27.5	33%	0.332	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	178.2	166.3	68.4	41.6	0	0	0	109.1	N634 F635	N632-N634 PolarHBondContact O-N 3.45Å; N632-N634 WeakPolarHBondContact OD1-CB 3.35Å; N632-N634 PolarHBondContact OD1-N 2.75Å; N632-F635 PolarHBondContact N-O 3.35Å; N632-F635 PolarHBondContact O-N 3.35Å; N632-F635 VanDerWaalsContact O-N 3.11Å; N632-F635 VanDerWaalsContact O-O 3.1Å; N632-F635 PolarHBondContact OD1-N 2.88Å; N632-F635 VanDerWaalsContact OD1-N 3.11Å
633	K	94	Very high	97.8	Very high	95 Å²	95	27.4 Å²	27.4	41%	0.413	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-13.4	-178.5	65.9	168.3	-163.9	172.6	0	116.9	E327 K651	E327-K633 VanDerWaalsContact C-NZ 3.3Å; E327-K633 PolarHBondContact O-NZ 3.46Å; E327-K633 IonicContact OE2-NZ 2.63Å; E327-K633 PolarHBondContact OE2-NZ 2.81Å; K633-K651 WeakPolarHBondContact O-CE 3.46Å
634	N	94.6	Very high	97.8	Very high	14 Å²	14	22 Å²	22	8%	0.075	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-32.6	179.8	-73.4	-25.1	0	0	0	112.8	D361 N632 L650	D361-N634 PolarHBondContact OD2-ND2 3.46Å; N632-N634 PolarHBondContact O-N 3.45Å; N632-N634 WeakPolarHBondContact OD1-CB 3.35Å; N632-N634 PolarHBondContact OD1-N 2.75Å; N634-L650 PolarHBondContact O-N 3.27Å
635	F	97.9	Very high	97.9	Very high	3 Å²	3	19.5 Å²	19.5	1%	0.013	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149.3	-163.4	-56.1	-58.6	0	0	0	113.9	D361 W364 R365 F631 N632 L647 W648 I656	D361-F635 HydrophobicContact CB-CZ 4.5Å; W364-F635 HydrophobicContact CB-CE2 4.08Å; W364-F635 HydrophobicContact CB-CZ 4.14Å; W364-F635 HydrophobicContact CG-CE2 4.42Å; R365-F635 HydrophobicContact CG-CE1 3.46Å; R365-F635 VanDerWaalsContact CG-CE1 3.46Å; R365-F635 HydrophobicContact CG-CZ 3.69Å; R365-F635 VanDerWaalsContact NH1-CZ 3.28Å; F631-F635 CarbonylContact C-O 3.56Å; F631-F635 VanDerWaalsContact CA-O 3.22Å; F631-F635 WeakPolarHBondContact CA-O 3.46Å; F631-F635 VanDerWaalsContact CB-O 3.3Å; F631-F635 WeakPolarHBondContact CB-O 3.12Å; N632-F635 PolarHBondContact N-O 3.35Å; N632-F635 PolarHBondContact O-N 3.35Å; N632-F635 VanDerWaalsContact O-N 3.11Å; N632-F635 VanDerWaalsContact O-O 3.1Å; N632-F635 PolarHBondContact OD1-N 2.88Å; N632-F635 VanDerWaalsContact OD1-N 3.11Å; F635-L647 HydrophobicContact CB-CD1 3.81Å; F635-L647 HydrophobicContact CD1-CD1 3.92Å; F635-L647 HydrophobicContact CD1-CD2 4.29Å; F635-L647 HydrophobicContact CD1-CG 4.17Å; F635-L647 HydrophobicContact CD2-CD1 4.48Å; F635-L647 HydrophobicContact CE1-CD2 4.27Å; F635-L647 HydrophobicContact CG-CD1 3.84Å; F635-W648 VanDerWaalsContact CA-O 3.26Å; F635-W648 WeakPolarHBondContact CA-O 3.35Å; F635-I656 HydrophobicContact CD1-CD1 3.86Å; F635-I656 HydrophobicContact CE1-CD1 3.88Å
636	V	98.8	Very high	98	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	138.1	152	-168.4	0	0	0	0	108.8	V594 V602 I604 L616 F631 T638 W648 L650	V594-V636 HydrophobicContact CG1-CG1 3.85Å; V594-V636 HydrophobicContact CG1-CG2 4.26Å; V594-V636 HydrophobicContact CG2-CG2 4.4Å; V602-V636 HydrophobicContact CG1-CG1 4.46Å; I604-V636 HydrophobicContact CD1-CG2 3.86Å; I604-V636 HydrophobicContact CG1-CG2 4.42Å; L616-V636 HydrophobicContact CD1-CB 3.85Å; L616-V636 HydrophobicContact CD1-CG1 4.05Å; L616-V636 HydrophobicContact CD1-CG2 3.97Å; F631-V636 HydrophobicContact CB-CB 4.42Å; F631-V636 HydrophobicContact CB-CG1 4.35Å; F631-V636 HydrophobicContact CB-CG2 4.1Å; V636-T638 HydrophobicContact CG1-CG2 3.67Å; V636-W648 HydrophobicContact CB-CB 4.36Å; V636-W648 PolarHBondContact N-O 3.34Å; V636-W648 PolarHBondContact O-N 3.01Å; V636-L650 HydrophobicContact CG2-CD1 3.6Å
637	I	98.9	Very high	98	Very high	8 Å²	8	19 Å²	19	4%	0.041	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.8	169.5	-49.5	170.8	0	0	0	106.8	W364 L629 Q630 V645 K646 L647 L659 I674 A676 L681	W364-I637 HydrophobicContact CE3-CD1 4.4Å; W364-I637 HydrophobicContact CH2-CD1 3.77Å; W364-I637 HydrophobicContact CZ3-CD1 3.57Å; W364-I637 HydrophobicContact CZ3-CG1 4.49Å; L629-I637 CarbonylContact C-O 3.56Å; L629-I637 VanDerWaalsContact CA-O 3.23Å; L629-I637 WeakPolarHBondContact CA-O 3.31Å; Q630-I637 PolarHBondContact N-O 2.59Å; Q630-I637 PolarHBondContact O-N 3.44Å; I637-V645 HydrophobicContact CG2-CG1 3.51Å; I637-K646 WeakPolarHBondContact CA-O 3.36Å; I637-L647 HydrophobicContact CG1-CD1 3.84Å; I637-L659 HydrophobicContact CG2-CD1 4.31Å; I637-I674 HydrophobicContact CB-CD1 4.04Å; I637-I674 HydrophobicContact CG2-CD1 3.63Å; I637-A676 HydrophobicContact CD1-CB 3.77Å; I637-L681 HydrophobicContact CG2-CD1 4.19Å
638	T	98.8	Very high	98	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.2	-174.9	63.1	0	0	0	0	110.5	V602 H622 L629 V636 V645 K646 W648	V602-T638 HydrophobicContact CB-CG2 4.32Å; V602-T638 HydrophobicContact CG1-CG2 4.27Å; V602-T638 HydrophobicContact CG2-CG2 3.71Å; H622-T638 WeakPolarHBondContact NE2-CB 3.37Å; H622-T638 PolarHBondContact NE2-OG1 3.05Å; L629-T638 HydrophobicContact CB-CG2 4.47Å; V636-T638 HydrophobicContact CG1-CG2 3.67Å; T638-V645 CarbonylContact O-C 3.58Å; T638-V645 VanDerWaalsContact O-CA 3.23Å; T638-V645 WeakPolarHBondContact O-CA 3.49Å; T638-V645 WeakPolarHBondContact O-CG1 3.42Å; T638-K646 PolarHBondContact N-O 2.76Å; T638-K646 PolarHBondContact O-N 2.98Å; T638-W648 PolarHBondContact OG1-NE1 3.1Å
639	S	98.7	Very high	98	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	157.3	173.1	62.6	0	0	0	0	111.6	V626 T627 C628 T644	V626-S639 CarbonylContact C-O 3.55Å; V626-S639 WeakPolarHBondContact CA-O 3.43Å; V626-S639 WeakPolarHBondContact CG1-O 3.36Å; T627-S639 PolarHBondContact N-O 3.44Å; T627-S639 VanDerWaalsContact OG1-C 3.22Å; T627-S639 PolarHBondContact OG1-O 3.29Å; T627-S639 PolarHBondContact OG1-OG 3.04Å; C628-S639 WeakPolarHBondContact CB-OG 3.48Å; C628-S639 PolarHBondContact N-OG 3.48Å; C628-S639 PolarHBondContact O-N 3.22Å; C628-S639 PolarHBondContact O-OG 3.32Å; S639-T644 WeakPolarHBondContact CA-O 3.38Å
640	S	98.6	Very high	98	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	164.3	-176.3	175.5	0	0	0	0	112.2	H622 S624 A625 T627 D642 G643 T644 V671	H622-S640 VanDerWaalsContact CE1-CB 3.46Å; H622-S640 WeakPolarHBondContact CE1-CB 3.18Å; H622-S640 WeakPolarHBondContact ND1-CB 3.31Å; S624-S640 PolarHBondContact O-OG 3.46Å; A625-S640 VanDerWaalsContact O-CA 3.23Å; A625-S640 WeakPolarHBondContact O-CA 3.32Å; A625-S640 WeakPolarHBondContact O-CB 3.49Å; A625-S640 PolarHBondContact O-OG 2.99Å; T627-S640 PolarHBondContact OG1-N 2.85Å; S640-D642 WeakPolarHBondContact CB-OD1 3.35Å; S640-D642 PolarHBondContact O-N 3.18Å; S640-D642 PolarHBondContact OG-N 3.18Å; S640-D642 VanDerWaalsContact OG-N 3.13Å; S640-G643 PolarHBondContact O-N 2.7Å; S640-T644 PolarHBondContact N-O 3Å; S640-V671 PolarHBondContact O-N 3.37Å
641	D	97.7	Very high	97.8	Very high	58 Å²	58	24.5 Å²	24.5	31%	0.31	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-8.7	166.6	-54.4	-53.3	0	0	0	112.9	A625 T627 G643 V670	A625-D641 PolarHBondContact O-N 2.91Å; T627-D641 WeakPolarHBondContact CG2-OD1 3.33Å; D641-G643 PolarHBondContact O-N 3.1Å; D641-G643 VanDerWaalsContact O-N 3.14Å; D641-V670 HydrophobicContact CB-CG1 4.42Å; D641-V670 HydrophobicContact CB-CG2 4.04Å; D641-V670 WeakPolarHBondContact OD1-CG1 3.43Å
642	D	97.8	Very high	97.8	Very high	21 Å²	21	25.7 Å²	25.7	11%	0.112	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	8.3	169.8	78.8	2.4	0	0	0	114.8	H622 Q623 S640 T644	H622-D642 WeakPolarHBondContact CA-OD2 3.34Å; H622-D642 WeakPolarHBondContact CB-OD2 2.98Å; H622-D642 IonicContact CE1-OD1 2.71Å; H622-D642 IonicContact CG-OD2 3.99Å; H622-D642 IonicContact ND1-OD1 3.52Å; H622-D642 PolarHBondContact ND1-OD1 3.2Å; H622-D642 VanDerWaalsContact ND1-OD1 3.14Å; H622-D642 IonicContact ND1-OD2 3.07Å; H622-D642 PolarHBondContact ND1-OD2 3.28Å; Q623-D642 HydrophobicContact CB-CB 4.14Å; Q623-D642 PolarHBondContact N-OD2 3.42Å; S640-D642 WeakPolarHBondContact CB-OD1 3.35Å; S640-D642 PolarHBondContact O-N 3.18Å; S640-D642 PolarHBondContact OG-N 3.18Å; S640-D642 VanDerWaalsContact OG-N 3.13Å; D642-T644 PolarHBondContact O-N 2.85Å; D642-T644 VanDerWaalsContact OD1-CB 3.31Å; D642-T644 WeakPolarHBondContact OD1-CB 3.22Å; D642-T644 PolarHBondContact OD1-N 2.99Å; D642-T644 PolarHBondContact OD1-OG1 3.13Å; D642-T644 PolarHBondContact OD2-OG1 3.42Å
643	G	98.3	Very high	97.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	70.9	12.7	179.7	0	0	0	0	0	114.5	S640 D641 L662 G669	S640-G643 PolarHBondContact O-N 2.7Å; D641-G643 PolarHBondContact O-N 3.1Å; D641-G643 VanDerWaalsContact O-N 3.14Å; G643-L662 WeakPolarHBondContact O-CG 3.33Å; G643-L662 PolarHBondContact O-N 2.74Å; G643-G669 VanDerWaalsContact CA-O 3.28Å; G643-G669 WeakPolarHBondContact CA-O 3.3Å
644	T	98.7	Very high	98.1	Very high	10 Å²	10	24.7 Å²	24.7	6%	0.061	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	152.6	-179.7	74.5	0	0	0	0	114.1	H622 S639 S640 D642 K646 V660 T661	H622-T644 PolarHBondContact CE1-OG1 3Å; H622-T644 VanDerWaalsContact CE1-OG1 3.25Å; H622-T644 PolarHBondContact ND1-OG1 2.93Å; S639-T644 WeakPolarHBondContact CA-O 3.38Å; S640-T644 PolarHBondContact N-O 3Å; D642-T644 PolarHBondContact O-N 2.85Å; D642-T644 VanDerWaalsContact OD1-CB 3.31Å; D642-T644 WeakPolarHBondContact OD1-CB 3.22Å; D642-T644 PolarHBondContact OD1-N 2.99Å; D642-T644 PolarHBondContact OD1-OG1 3.13Å; D642-T644 PolarHBondContact OD2-OG1 3.42Å; T644-K646 VanDerWaalsContact OG1-CE 3.24Å; T644-K646 WeakPolarHBondContact OG1-CE 3.22Å; T644-V660 VanDerWaalsContact CA-O 3.3Å; T644-V660 WeakPolarHBondContact CA-O 3.41Å; T644-V660 WeakPolarHBondContact CB-O 3.18Å; T644-T661 HydrophobicContact CG2-CG2 4.25Å
645	V	98.9	Very high	98.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.6	159	-175.7	0	0	0	0	108.5	I637 T638 L659 V660 V671 I674 L681	I637-V645 HydrophobicContact CG2-CG1 3.51Å; T638-V645 CarbonylContact O-C 3.58Å; T638-V645 VanDerWaalsContact O-CA 3.23Å; T638-V645 WeakPolarHBondContact O-CA 3.49Å; T638-V645 WeakPolarHBondContact O-CG1 3.42Å; V645-L659 PolarHBondContact O-N 2.55Å; V645-V660 HydrophobicContact CB-CB 3.99Å; V645-V660 HydrophobicContact CB-CG2 4.27Å; V645-V660 HydrophobicContact CG2-CB 4.02Å; V645-V660 HydrophobicContact CG2-CG2 4.26Å; V645-V660 PolarHBondContact N-O 3.27Å; V645-V660 PolarHBondContact O-N 2.96Å; V645-V671 HydrophobicContact CG2-CB 4.27Å; V645-V671 HydrophobicContact CG2-CG1 3.69Å; V645-V671 HydrophobicContact CG2-CG2 4.13Å; V645-I674 HydrophobicContact CG1-CG2 4.37Å; V645-I674 HydrophobicContact CG2-CG2 4.02Å; V645-L681 HydrophobicContact CG1-CD2 3.99Å
646	K	98.9	Very high	98.3	Very high	10 Å²	10	28.8 Å²	28.8	4%	0.043	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	148.2	-174.9	-59.2	178	-173.7	-78.1	0	111.2	N620 K621 H622 I637 T638 T644 W648 F655 N658	N620-K646 WeakPolarHBondContact O-CD 3.27Å; N620-K646 VanDerWaalsContact O-CE 3.27Å; N620-K646 WeakPolarHBondContact O-CE 3.49Å; N620-K646 PolarHBondContact O-NZ 3.03Å; K621-K646 WeakPolarHBondContact O-CE 3.46Å; K621-K646 PolarHBondContact O-NZ 3.46Å; H622-K646 VanDerWaalsContact CE1-CE 3.48Å; H622-K646 WeakPolarHBondContact CE1-CE 3.47Å; H622-K646 WeakPolarHBondContact ND1-CE 3.44Å; I637-K646 WeakPolarHBondContact CA-O 3.36Å; T638-K646 PolarHBondContact N-O 2.76Å; T638-K646 PolarHBondContact O-N 2.98Å; T644-K646 VanDerWaalsContact OG1-CE 3.24Å; T644-K646 WeakPolarHBondContact OG1-CE 3.22Å; K646-W648 HydrophobicContact CB-CZ2 4.27Å; K646-W648 HydrophobicContact CD-CZ2 3.7Å; K646-F655 HydrophobicContact CB-CD2 4.44Å; K646-F655 HydrophobicContact CB-CE2 4.16Å; K646-F655 HydrophobicContact CD-CD2 4.39Å; K646-F655 HydrophobicContact CD-CE2 4.1Å; K646-F655 HydrophobicContact CG-CE2 4.04Å; K646-N658 PolarHBondContact NZ-OD1 3.35Å
647	L	98.9	Very high	98.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.9	172.3	-173.5	72.5	0	0	0	109.2	W364 F635 I637 I656 R657 L659	W364-L647 HydrophobicContact CB-CD2 4.16Å; W364-L647 HydrophobicContact CE3-CD1 4.43Å; W364-L647 VanDerWaalsContact O-CD2 3.3Å; W364-L647 WeakPolarHBondContact O-CD2 3.48Å; F635-L647 HydrophobicContact CB-CD1 3.81Å; F635-L647 HydrophobicContact CD1-CD1 3.92Å; F635-L647 HydrophobicContact CD1-CD2 4.29Å; F635-L647 HydrophobicContact CD1-CG 4.17Å; F635-L647 HydrophobicContact CD2-CD1 4.48Å; F635-L647 HydrophobicContact CE1-CD2 4.27Å; F635-L647 HydrophobicContact CG-CD1 3.84Å; I637-L647 HydrophobicContact CG1-CD1 3.84Å; L647-I656 HydrophobicContact CD2-CB 4.38Å; L647-I656 HydrophobicContact CD2-CD1 4.11Å; L647-I656 HydrophobicContact CD2-CG2 4.26Å; L647-I656 HydrophobicContact CG-CB 4.41Å; L647-I656 HydrophobicContact CG-CD1 4.02Å; L647-I656 WeakPolarHBondContact O-CA 3.37Å; L647-I656 WeakPolarHBondContact O-CB 3.49Å; L647-I656 PolarHBondContact O-N 2.98Å; L647-R657 HydrophobicContact CB-CG 4.21Å; L647-R657 HydrophobicContact CD2-CG 4.49Å; L647-R657 PolarHBondContact N-O 3.49Å; L647-R657 PolarHBondContact O-N 3.27Å; L647-L659 HydrophobicContact CB-CD1 4.05Å; L647-L659 HydrophobicContact CB-CD2 4.16Å; L647-L659 HydrophobicContact CB-CG 3.96Å; L647-L659 HydrophobicContact CD1-CD1 4.36Å; L647-L659 HydrophobicContact CD2-CD2 4.33Å
648	W	98.8	Very high	98.3	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.011	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149.6	-178	-51	83.6	0	0	0	110	L616 F635 V636 T638 K646 E654 F655 I656	L616-W648 HydrophobicContact CB-CD2 3.9Å; L616-W648 HydrophobicContact CB-CE3 3.77Å; L616-W648 HydrophobicContact CB-CG 4.48Å; L616-W648 HydrophobicContact CB-CH2 4.27Å; L616-W648 HydrophobicContact CB-CZ2 4.35Å; L616-W648 HydrophobicContact CB-CZ3 3.97Å; L616-W648 HydrophobicContact CD1-CB 3.94Å; L616-W648 HydrophobicContact CD1-CD2 4.07Å; L616-W648 HydrophobicContact CD1-CG 3.75Å; L616-W648 HydrophobicContact CD2-CB 4.24Å; L616-W648 HydrophobicContact CD2-CD2 4.45Å; L616-W648 HydrophobicContact CD2-CE3 4.21Å; L616-W648 HydrophobicContact CD2-CG 4.48Å; L616-W648 HydrophobicContact CG-CD2 4.36Å; L616-W648 HydrophobicContact CG-CE3 4.4Å; L616-W648 HydrophobicContact CG-CG 4.47Å; F635-W648 VanDerWaalsContact CA-O 3.26Å; F635-W648 WeakPolarHBondContact CA-O 3.35Å; V636-W648 HydrophobicContact CB-CB 4.36Å; V636-W648 PolarHBondContact N-O 3.34Å; V636-W648 PolarHBondContact O-N 3.01Å; T638-W648 PolarHBondContact OG1-NE1 3.1Å; K646-W648 HydrophobicContact CB-CZ2 4.27Å; K646-W648 HydrophobicContact CD-CZ2 3.7Å; W648-E654 VanDerWaalsContact CA-O 3.32Å; W648-E654 WeakPolarHBondContact CA-O 3.45Å; W648-F655 VanDerWaalsContact CE3-CA 3.46Å; W648-F655 HydrophobicContact CE3-CB 3.79Å; W648-F655 HydrophobicContact CH2-CB 4.24Å; W648-F655 HydrophobicContact CH2-CD2 4.26Å; W648-F655 HydrophobicContact CZ2-CD2 4.3Å; W648-F655 HydrophobicContact CZ3-CB 3.63Å; W648-F655 HydrophobicContact CZ3-CD2 4.39Å; W648-I656 VanDerWaalsContact C-CD1 3.48Å
649	D	98.4	Very high	98.3	Very high	22 Å²	22	33.5 Å²	33.5	12%	0.118	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	125.4	171.2	-160.4	-73.7	0	0	0	110	R365 K651 G653 E654 I656	R365-D649 IonicContact CZ-OD2 3.97Å; R365-D649 IonicContact NE-OD2 2.74Å; R365-D649 IonicContact NH2-OD2 2.81Å; R365-D649 PolarHBondContact NH2-OD2 2.99Å; D649-K651 PolarHBondContact O-N 3.46Å; D649-K651 WeakPolarHBondContact OD1-CB 3.24Å; D649-K651 PolarHBondContact OD1-N 3.03Å; D649-G653 WeakPolarHBondContact O-CA 3.44Å; D649-G653 PolarHBondContact O-N 3.05Å; D649-E654 PolarHBondContact N-O 2.72Å; D649-I656 HydrophobicContact CB-CD1 3.98Å; D649-I656 HydrophobicContact CB-CG1 4.35Å
650	L	97.7	Very high	98.3	Very high	26 Å²	26	34.2 Å²	34.2	14%	0.136	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-31.9	-177.9	-169.7	87	0	0	0	111.9	V594 I604 F631 N634 V636	V594-L650 HydrophobicContact CG2-CD1 4.43Å; I604-L650 HydrophobicContact CD1-CD1 3.92Å; I604-L650 HydrophobicContact CD1-CG 4.33Å; F631-L650 HydrophobicContact CB-CD1 4.39Å; F631-L650 HydrophobicContact CD2-CD1 3.68Å; F631-L650 HydrophobicContact CE2-CD1 4.38Å; F631-L650 HydrophobicContact CG-CD1 4.4Å; N634-L650 PolarHBondContact O-N 3.27Å; V636-L650 HydrophobicContact CG2-CD1 3.6Å
651	K	95.9	Very high	98.2	Very high	142 Å²	142	38.5 Å²	38.5	62%	0.617	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-41.4	-168.5	-61.6	176	-178.1	174.3	0	112.1	Q614 K633 D649	Q614-K651 PolarHBondContact NE2-O 3.28Å; K633-K651 WeakPolarHBondContact O-CE 3.46Å; D649-K651 PolarHBondContact O-N 3.46Å; D649-K651 WeakPolarHBondContact OD1-CB 3.24Å; D649-K651 PolarHBondContact OD1-N 3.03Å
652	T	97.4	Very high	98.3	Very high	66 Å²	66	36.5 Å²	36.5	41%	0.405	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-15.8	180	65.7	0	0	0	0	113.7	Q614 E654	Q614-T652 PolarHBondContact NE2-O 2.82Å; Q614-T652 PolarHBondContact OE1-O 3.07Å; T652-E654 WeakPolarHBondContact CB-OE2 3.42Å; T652-E654 PolarHBondContact O-N 3.25Å; T652-E654 WeakPolarHBondContact OG1-CB 3.44Å; T652-E654 WeakPolarHBondContact OG1-CG 3.02Å; T652-E654 PolarHBondContact OG1-N 2.81Å; T652-E654 PolarHBondContact OG1-OE2 2.9Å
653	G	97.8	Very high	98.2	Very high	8 Å²	8	45.2 Å²	45.2	8%	0.082	23%	0.225	C	C	.	.			trans	73.2	3.7	-173.7	0	0	0	0	0	113.9	L616 D649	L616-G653 WeakPolarHBondContact CD2-O 3.41Å; D649-G653 WeakPolarHBondContact O-CA 3.44Å; D649-G653 PolarHBondContact O-N 3.05Å
654	E	98.2	Very high	98.1	Very high	127 Å²	127	45.6 Å²	45.6	59%	0.593	23%	0.228	S	C	*	.			trans	-80	144	-174.2	-65.4	168.7	129.7	0	0	112.2	W648 D649 T652 I656	W648-E654 VanDerWaalsContact CA-O 3.32Å; W648-E654 WeakPolarHBondContact CA-O 3.45Å; D649-E654 PolarHBondContact N-O 2.72Å; T652-E654 WeakPolarHBondContact CB-OE2 3.42Å; T652-E654 PolarHBondContact O-N 3.25Å; T652-E654 WeakPolarHBondContact OG1-CB 3.44Å; T652-E654 WeakPolarHBondContact OG1-CG 3.02Å; T652-E654 PolarHBondContact OG1-N 2.81Å; T652-E654 PolarHBondContact OG1-OE2 2.9Å; E654-I656 PolarHBondContact O-N 2.84Å
655	F	98.8	Very high	97.8	Very high	53 Å²	53	46.7 Å²	46.7	23%	0.232	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	128	168.8	173.3	-97.7	0	0	0	110.5	N620 K646 W648 R657 N658	N620-F655 HydrophobicContact CB-CB 4.07Å; N620-F655 HydrophobicContact CB-CD1 3.46Å; N620-F655 VanDerWaalsContact CB-CD1 3.46Å; N620-F655 HydrophobicContact CB-CD2 3.62Å; N620-F655 HydrophobicContact CB-CE1 3.58Å; N620-F655 HydrophobicContact CB-CE2 3.75Å; N620-F655 HydrophobicContact CB-CG 3.44Å; N620-F655 VanDerWaalsContact CB-CG 3.44Å; N620-F655 HydrophobicContact CB-CZ 3.7Å; N620-F655 VanDerWaalsContact CG-CE1 3.47Å; N620-F655 WeakPolarHBondContact ND2-CD1 3.28Å; K646-F655 HydrophobicContact CB-CD2 4.44Å; K646-F655 HydrophobicContact CB-CE2 4.16Å; K646-F655 HydrophobicContact CD-CD2 4.39Å; K646-F655 HydrophobicContact CD-CE2 4.1Å; K646-F655 HydrophobicContact CG-CE2 4.04Å; W648-F655 VanDerWaalsContact CE3-CA 3.46Å; W648-F655 HydrophobicContact CE3-CB 3.79Å; W648-F655 HydrophobicContact CH2-CB 4.24Å; W648-F655 HydrophobicContact CH2-CD2 4.26Å; W648-F655 HydrophobicContact CZ2-CD2 4.3Å; W648-F655 HydrophobicContact CZ3-CB 3.63Å; W648-F655 HydrophobicContact CZ3-CD2 4.39Å; F655-R657 VanDerWaalsContact CE2-C 3.41Å; F655-R657 VanDerWaalsContact CZ-CA 3.42Å; F655-N658 WeakPolarHBondContact CE2-OD1 3.38Å; F655-N658 VanDerWaalsContact CZ-N 3.33Å; F655-N658 WeakPolarHBondContact CZ-OD1 3.38Å
656	I	98.6	Very high	97.5	Very high	50 Å²	50	50.4 Å²	50.4	26%	0.256	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-55.3	174.6	-59.9	163.9	0	0	0	110	R365 F635 L647 W648 D649 E654	R365-I656 HydrophobicContact CB-CG2 4.36Å; R365-I656 HydrophobicContact CG-CD1 4.22Å; R365-I656 HydrophobicContact CG-CG2 4.42Å; R365-I656 VanDerWaalsContact O-CG2 3.28Å; R365-I656 WeakPolarHBondContact O-CG2 3.31Å; F635-I656 HydrophobicContact CD1-CD1 3.86Å; F635-I656 HydrophobicContact CE1-CD1 3.88Å; L647-I656 HydrophobicContact CD2-CB 4.38Å; L647-I656 HydrophobicContact CD2-CD1 4.11Å; L647-I656 HydrophobicContact CD2-CG2 4.26Å; L647-I656 HydrophobicContact CG-CB 4.41Å; L647-I656 HydrophobicContact CG-CD1 4.02Å; L647-I656 WeakPolarHBondContact O-CA 3.37Å; L647-I656 WeakPolarHBondContact O-CB 3.49Å; L647-I656 PolarHBondContact O-N 2.98Å; W648-I656 VanDerWaalsContact C-CD1 3.48Å; D649-I656 HydrophobicContact CB-CD1 3.98Å; D649-I656 HydrophobicContact CB-CG1 4.35Å; E654-I656 PolarHBondContact O-N 2.84Å
657	R	98.5	Very high	97.3	Very high	59 Å²	59	53.2 Å²	53.2	22%	0.223	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	163.6	-178.3	64.8	-176.2	-56.1	161.8	13.1	113	G367 L369 L647 F655 L659	G367-R657 PolarHBondContact O-NH1 3.25Å; L369-R657 VanDerWaalsContact CD1-NH2 3.32Å; L647-R657 HydrophobicContact CB-CG 4.21Å; L647-R657 HydrophobicContact CD2-CG 4.49Å; L647-R657 PolarHBondContact N-O 3.49Å; L647-R657 PolarHBondContact O-N 3.27Å; F655-R657 VanDerWaalsContact CE2-C 3.41Å; F655-R657 VanDerWaalsContact CZ-CA 3.42Å; R657-L659 HydrophobicContact CG-CD2 3.86Å
658	N	98.6	Very high	97.1	Very high	41 Å²	41	54.3 Å²	54.3	22%	0.219	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	139.4	152.7	-68.2	10.3	0	0	0	109.1	K646 F655 T661	K646-N658 PolarHBondContact NZ-OD1 3.35Å; F655-N658 WeakPolarHBondContact CE2-OD1 3.38Å; F655-N658 VanDerWaalsContact CZ-N 3.33Å; F655-N658 WeakPolarHBondContact CZ-OD1 3.38Å; N658-T661 PolarHBondContact ND2-OG1 3.05Å
659	L	98.6	Very high	97	Very high	8 Å²	8	54.1 Å²	54.1	4%	0.042	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-33.9	167.8	-59.9	-179.5	0	0	0	111.2	W364 L369 I637 V645 L647 R657 L681 L699 F701	W364-L659 HydrophobicContact CE3-CD1 3.88Å; W364-L659 HydrophobicContact CZ3-CD1 3.75Å; L369-L659 HydrophobicContact CD2-CD2 4.24Å; I637-L659 HydrophobicContact CG2-CD1 4.31Å; V645-L659 PolarHBondContact O-N 2.55Å; L647-L659 HydrophobicContact CB-CD1 4.05Å; L647-L659 HydrophobicContact CB-CD2 4.16Å; L647-L659 HydrophobicContact CB-CG 3.96Å; L647-L659 HydrophobicContact CD1-CD1 4.36Å; L647-L659 HydrophobicContact CD2-CD2 4.33Å; R657-L659 HydrophobicContact CG-CD2 3.86Å; L659-L681 HydrophobicContact CB-CD2 4.26Å; L659-L681 HydrophobicContact CD1-CD2 3.87Å; L659-L699 HydrophobicContact CB-CD2 4.39Å; L659-L699 WeakPolarHBondContact O-CD2 3.32Å; L659-F701 HydrophobicContact CD1-CZ 4.36Å; L659-F701 HydrophobicContact CD2-CE1 4.24Å; L659-F701 HydrophobicContact CD2-CZ 4.02Å
660	V	98.7	Very high	97	Very high	14 Å²	14	54.1 Å²	54.1	9%	0.085	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	140	171	178.6	0	0	0	0	107.8	T644 V645 L662 L697 L699	T644-V660 VanDerWaalsContact CA-O 3.3Å; T644-V660 WeakPolarHBondContact CA-O 3.41Å; T644-V660 WeakPolarHBondContact CB-O 3.18Å; V645-V660 HydrophobicContact CB-CB 3.99Å; V645-V660 HydrophobicContact CB-CG2 4.27Å; V645-V660 HydrophobicContact CG2-CB 4.02Å; V645-V660 HydrophobicContact CG2-CG2 4.26Å; V645-V660 PolarHBondContact N-O 3.27Å; V645-V660 PolarHBondContact O-N 2.96Å; V660-L662 HydrophobicContact CG1-CD2 4.17Å; V660-L662 HydrophobicContact CG1-CG 4.43Å; V660-L697 HydrophobicContact CG1-CD1 4.02Å; V660-L699 HydrophobicContact CG2-CD1 3.94Å; V660-L699 HydrophobicContact CG2-CD2 4.17Å
661	T	98.2	Very high	97.1	Very high	91 Å²	91	52.9 Å²	52.9	56%	0.558	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.5	120.3	164.2	-51.6	0	0	0	0	105	T644 N658	T644-T661 HydrophobicContact CG2-CG2 4.25Å; N658-T661 PolarHBondContact ND2-OG1 3.05Å
662	L	98	Very high	97.2	Very high	16 Å²	16	47.5 Å²	47.5	8%	0.084	28%	0.28	C	S	.	.			trans	-81.8	142.5	172	-59	173.7	0	0	0	109.5	G643 V660 S664 G665 V671 V685 E692 L697	G643-L662 WeakPolarHBondContact O-CG 3.33Å; G643-L662 PolarHBondContact O-N 2.74Å; V660-L662 HydrophobicContact CG1-CD2 4.17Å; V660-L662 HydrophobicContact CG1-CG 4.43Å; L662-S664 VanDerWaalsContact C-N 3.26Å; L662-G665 PolarHBondContact O-N 2.97Å; L662-G665 VanDerWaalsContact O-N 3.14Å; L662-V671 HydrophobicContact CD1-CG2 3.98Å; L662-V671 HydrophobicContact CG-CG2 4.46Å; L662-V685 HydrophobicContact CD1-CG1 3.62Å; L662-V685 HydrophobicContact CD2-CG1 3.84Å; L662-V685 HydrophobicContact CG-CG1 4.39Å; L662-E692 HydrophobicContact CD1-CG 4.36Å; L662-L697 HydrophobicContact CD2-CD1 4.31Å
663	E	96.6	Very high	97.2	Very high	203 Å²	203	47.3 Å²	47.3	95%	0.949	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-24.8	177	-62.5	-176.7	178	0	0	111.6	G665	E663-G665 VanDerWaalsContact C-N 3.29Å
664	S	96.4	Very high	97.3	Very high	9 Å²	9	47 Å²	47	6%	0.063	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	2.4	168.6	53.3	0	0	0	0	114.1	L662 G666 S667 G668 G669 E692	L662-S664 VanDerWaalsContact C-N 3.26Å; S664-G666 PolarHBondContact O-N 3.05Å; S664-G666 VanDerWaalsContact O-N 3.12Å; S664-S667 WeakPolarHBondContact CA-OG 3.46Å; S664-S667 PolarHBondContact O-N 3.38Å; S664-S667 PolarHBondContact O-OG 3.31Å; S664-S667 VanDerWaalsContact O-OG 3.1Å; S664-G668 PolarHBondContact O-N 3.03Å; S664-G669 PolarHBondContact O-N 3.27Å; S664-G669 WeakPolarHBondContact OG-CA 3.32Å; S664-E692 WeakPolarHBondContact CB-OE2 3.48Å; S664-E692 PolarHBondContact OG-OE2 3.42Å
665	G	92.6	Very high	97.3	Very high	33 Å²	33	43.2 Å²	43.2	34%	0.34	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	111.7	178	0	0	0	0	0	111	L662 E663	L662-G665 PolarHBondContact O-N 2.97Å; L662-G665 VanDerWaalsContact O-N 3.14Å; E663-G665 VanDerWaalsContact C-N 3.29Å
666	G	92.3	Very high	97.3	Very high	78 Å²	78	42.2 Å²	42.2	80%	0.804	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.2	-2.7	-173	0	0	0	0	0	115.7	S664	S664-G666 PolarHBondContact O-N 3.05Å; S664-G666 VanDerWaalsContact O-N 3.12Å
667	S	94.6	Very high	97.2	Very high	68 Å²	68	42 Å²	42	48%	0.476	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-6.6	165.6	60.3	0	0	0	0	113.8	S664 N689	S664-S667 WeakPolarHBondContact CA-OG 3.46Å; S664-S667 PolarHBondContact O-N 3.38Å; S664-S667 PolarHBondContact O-OG 3.31Å; S664-S667 VanDerWaalsContact O-OG 3.1Å; S667-N689 PolarHBondContact O-ND2 3.08Å
668	G	94.1	Very high	97	Very high	23 Å²	23	42.6 Å²	42.6	24%	0.237	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	147.1	-12.3	173.5	0	0	0	0	0	114.6	S664 V670 S687 T691	S664-G668 PolarHBondContact O-N 3.03Å; G668-V670 PolarHBondContact O-N 3.1Å; G668-S687 WeakPolarHBondContact O-CA 3.49Å; G668-S687 WeakPolarHBondContact O-CB 3.23Å; G668-T691 WeakPolarHBondContact CA-OG1 3.24Å
669	G	97.5	Very high	96.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	26%	0.257	C	S	.	.			trans	-73	116.1	177.9	0	0	0	0	0	113.3	G643 S664	G643-G669 VanDerWaalsContact CA-O 3.28Å; G643-G669 WeakPolarHBondContact CA-O 3.3Å; S664-G669 PolarHBondContact O-N 3.27Å; S664-G669 WeakPolarHBondContact OG-CA 3.32Å
670	V	98.3	Very high	96.9	Very high	21 Å²	21	42.3 Å²	42.3	13%	0.127	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	146	-172.8	167.3	0	0	0	0	110.9	D641 G668 W672 V685 G686	D641-V670 HydrophobicContact CB-CG1 4.42Å; D641-V670 HydrophobicContact CB-CG2 4.04Å; D641-V670 WeakPolarHBondContact OD1-CG1 3.43Å; G668-V670 PolarHBondContact O-N 3.1Å; V670-W672 HydrophobicContact CG1-CG 3.96Å; V670-V685 WeakPolarHBondContact O-CA 3.48Å; V670-G686 PolarHBondContact N-O 3.45Å; V670-G686 PolarHBondContact O-N 2.98Å
671	V	98.6	Very high	96.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	94.7	165.1	-170.2	0	0	0	0	109.4	T627 S640 V645 L662 I674 C683 A684 V685	T627-V671 PolarHBondContact OG1-O 3.36Å; S640-V671 PolarHBondContact O-N 3.37Å; V645-V671 HydrophobicContact CG2-CB 4.27Å; V645-V671 HydrophobicContact CG2-CG1 3.69Å; V645-V671 HydrophobicContact CG2-CG2 4.13Å; L662-V671 HydrophobicContact CD1-CG2 3.98Å; L662-V671 HydrophobicContact CG-CG2 4.46Å; V671-I674 HydrophobicContact CG1-CG2 4.15Å; V671-C683 HydrophobicContact CG1-CB 3.98Å; V671-A684 CarbonylContact C-O 3.58Å; V671-V685 HydrophobicContact CG1-CG2 4.22Å; V671-V685 HydrophobicContact CG2-CG2 4.18Å
672	W	98.4	Very high	97	Very high	29 Å²	29	37.3 Å²	37.3	11%	0.11	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	-45.4	-173.6	-59.7	-57.4	0	0	0	113.5	V382 I383 T627 V670 A684 V685 G686 T694	V382-W672 HydrophobicContact CB-CH2 4.39Å; V382-W672 HydrophobicContact CB-CZ2 4.31Å; V382-W672 HydrophobicContact CG1-CD2 3.99Å; V382-W672 HydrophobicContact CG1-CE3 4.32Å; V382-W672 HydrophobicContact CG1-CG 4.46Å; V382-W672 HydrophobicContact CG1-CH2 4.31Å; V382-W672 HydrophobicContact CG1-CZ2 4Å; V382-W672 HydrophobicContact CG1-CZ3 4.47Å; V382-W672 HydrophobicContact CG2-CH2 4.45Å; V382-W672 HydrophobicContact CG2-CZ2 4.07Å; I383-W672 HydrophobicContact CB-CE3 4.01Å; I383-W672 HydrophobicContact CB-CZ3 4.1Å; I383-W672 HydrophobicContact CG1-CZ3 4.19Å; T627-W672 VanDerWaalsContact CB-O 3.24Å; T627-W672 WeakPolarHBondContact CB-O 3.27Å; T627-W672 PolarHBondContact OG1-O 3.5Å; V670-W672 HydrophobicContact CG1-CG 3.96Å; W672-A684 PolarHBondContact N-O 3.47Å; W672-V685 WeakPolarHBondContact CZ3-O 3.44Å; W672-G686 VanDerWaalsContact CH2-CA 3.47Å; W672-T694 HydrophobicContact CH2-CG2 4.34Å; W672-T694 WeakPolarHBondContact CH2-OG1 3.49Å; W672-T694 HydrophobicContact CZ3-CG2 4.01Å
673	R	98.4	Very high	97	Very high	63 Å²	63	36.5 Å²	36.5	24%	0.238	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	149.9	-173	-55.6	-168.8	80	-103.6	0.5	112.2	T384 L386 C628 A684	T384-R673 VanDerWaalsContact O-CD 3.29Å; T384-R673 WeakPolarHBondContact O-CD 3.49Å; L386-R673 HydrophobicContact CB-CB 4.33Å; L386-R673 PolarHBondContact O-NH1 3.44Å; C628-R673 HydrophobicContact CB-CB 4.48Å; R673-A684 HydrophobicContact CB-CB 4.48Å; R673-A684 PolarHBondContact O-N 2.8Å
674	I	98.8	Very high	97.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	150.5	174.6	54.9	166.1	0	0	0	112.1	C628 Q630 I637 V645 V671 L681 V682 C683	C628-I674 HydrophobicContact CB-CG1 4.04Å; Q630-I674 HydrophobicContact CG-CD1 4.37Å; Q630-I674 HydrophobicContact CG-CG1 4.31Å; I637-I674 HydrophobicContact CB-CD1 4.04Å; I637-I674 HydrophobicContact CG2-CD1 3.63Å; V645-I674 HydrophobicContact CG1-CG2 4.37Å; V645-I674 HydrophobicContact CG2-CG2 4.02Å; V671-I674 HydrophobicContact CG1-CG2 4.15Å; I674-L681 HydrophobicContact CB-CD1 4.2Å; I674-L681 HydrophobicContact CG2-CD1 4.37Å; I674-V682 CarbonylContact C-O 3.55Å; I674-V682 VanDerWaalsContact CA-O 3.29Å; I674-V682 WeakPolarHBondContact CA-O 3.23Å; I674-C683 HydrophobicContact CG2-CB 4.17Å
675	R	98.6	Very high	97.2	Very high	48 Å²	48	26.4 Å²	26.4	18%	0.181	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	141	163.8	-74.6	-58.8	-161.9	-166.8	5.4	109.6	L386 F388 E587 Q630 V682	L386-R675 HydrophobicContact CD2-CB 4.4Å; L386-R675 HydrophobicContact CD2-CG 4.29Å; L386-R675 HydrophobicContact CG-CG 4.26Å; F388-R675 HydrophobicContact CB-CB 3.76Å; F388-R675 HydrophobicContact CB-CG 4.35Å; F388-R675 HydrophobicContact CD1-CB 4.31Å; E587-R675 IonicContact OE1-NH1 3.41Å; E587-R675 PolarHBondContact OE1-NH1 3.09Å; Q630-R675 VanDerWaalsContact NE2-NH1 3.13Å; R675-V682 PolarHBondContact N-O 3.46Å; R675-V682 PolarHBondContact O-N 3.4Å
676	A	98.2	Very high	97.5	Very high	32 Å²	32	24.9 Å²	24.9	26%	0.264	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.8	-178.1	0	0	0	0	0	111.5	W364 Q630 I637 K680 L681	W364-A676 HydrophobicContact CH2-CB 4.38Å; Q630-A676 HydrophobicContact CB-CB 4.43Å; I637-A676 HydrophobicContact CD1-CB 3.77Å; A676-K680 WeakPolarHBondContact CA-O 3.36Å; A676-L681 HydrophobicContact CB-CD1 4.33Å
677	S	96.8	Very high	97.7	Very high	46 Å²	46	21.6 Å²	21.6	32%	0.322	13%	0.125	S	C	.	.			trans	-111.5	175.4	159.3	76.7	0	0	0	0	108.8	W364 T679 K680	W364-S677 WeakPolarHBondContact CZ2-O 3.31Å; S677-T679 PolarHBondContact O-N 3.39Å; S677-T679 PolarHBondContact OG-N 3.4Å; S677-K680 PolarHBondContact N-O 2.96Å; S677-K680 PolarHBondContact O-N 3.48Å; S677-K680 PolarHBondContact OG-N 3.44Å
678	N	95.4	Very high	97.6	Very high	71 Å²	71	29.6 Å²	29.6	38%	0.38	15%	0.145	S	C	.	.	S	Bend	trans	-51.4	-33	176.5	-173.1	17.5	0	0	0	113.4	Q357 I360 W364	Q357-N678 PolarHBondContact NE2-OD1 3.41Å; Q357-N678 PolarHBondContact OE1-ND2 3.46Å; Q357-N678 PolarHBondContact OE1-OD1 3.16Å; I360-N678 WeakPolarHBondContact CG2-O 3.4Å; W364-N678 PolarHBondContact NE1-O 2.98Å
679	T	96.7	Very high	97.6	Very high	21 Å²	21	33 Å²	33	13%	0.129	16%	0.158	C	C	.	.	S	Bend	trans	-114	-10.1	-174.8	53.9	0	0	0	0	115.4	I360 S677 F701 D702	I360-T679 HydrophobicContact CD1-CG2 3.73Å; I360-T679 HydrophobicContact CG1-CG2 4.36Å; S677-T679 PolarHBondContact O-N 3.39Å; S677-T679 PolarHBondContact OG-N 3.4Å; T679-F701 WeakPolarHBondContact O-CA 3.28Å; T679-F701 PolarHBondContact O-N 3.24Å; T679-D702 HydrophobicContact CG2-CB 3.97Å; T679-D702 PolarHBondContact O-N 3.03Å
680	K	98.1	Very high	97.4	Very high	22 Å²	22	35.7 Å²	35.7	10%	0.096	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	142	-171.5	-73	172.6	170.6	51.9	0	112.3	F388 A676 S677 L699 D700	F388-K680 HydrophobicContact CE1-CB 4.2Å; F388-K680 HydrophobicContact CZ-CB 4.09Å; A676-K680 WeakPolarHBondContact CA-O 3.36Å; S677-K680 PolarHBondContact N-O 2.96Å; S677-K680 PolarHBondContact O-N 3.48Å; S677-K680 PolarHBondContact OG-N 3.44Å; K680-L699 VanDerWaalsContact CA-O 3.32Å; K680-L699 WeakPolarHBondContact CA-O 3.46Å; K680-D700 WeakPolarHBondContact CE-OD2 3.38Å; K680-D700 IonicContact NZ-OD1 2.63Å; K680-D700 PolarHBondContact NZ-OD1 3.32Å; K680-D700 IonicContact NZ-OD2 2.82Å; K680-D700 PolarHBondContact NZ-OD2 3.39Å
681	L	98.8	Very high	97.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	136.9	168.3	176.8	63.5	0	0	0	108.7	W364 I637 V645 L659 I674 A676 V698 L699 F701	W364-L681 HydrophobicContact CH2-CB 3.83Å; W364-L681 HydrophobicContact CZ3-CB 4.09Å; I637-L681 HydrophobicContact CG2-CD1 4.19Å; V645-L681 HydrophobicContact CG1-CD2 3.99Å; L659-L681 HydrophobicContact CB-CD2 4.26Å; L659-L681 HydrophobicContact CD1-CD2 3.87Å; I674-L681 HydrophobicContact CB-CD1 4.2Å; I674-L681 HydrophobicContact CG2-CD1 4.37Å; A676-L681 HydrophobicContact CB-CD1 4.33Å; L681-V698 WeakPolarHBondContact O-CA 3.5Å; L681-L699 HydrophobicContact CB-CB 4.31Å; L681-L699 HydrophobicContact CD2-CD1 4.41Å; L681-L699 HydrophobicContact CD2-CD2 4.46Å; L681-L699 PolarHBondContact N-O 2.94Å; L681-L699 PolarHBondContact O-N 3.27Å; L681-F701 HydrophobicContact CB-CE2 4Å
682	V	98.8	Very high	97.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.1	173.6	-173.9	0	0	0	0	107.7	L386 F388 I393 I674 R675 L697 V698	L386-V682 HydrophobicContact CD1-CG1 4.19Å; L386-V682 HydrophobicContact CD2-CG1 4.15Å; F388-V682 HydrophobicContact CD1-CG2 3.7Å; F388-V682 HydrophobicContact CD2-CG2 4.4Å; F388-V682 HydrophobicContact CE1-CG2 3.79Å; F388-V682 HydrophobicContact CG-CG2 4.03Å; F388-V682 HydrophobicContact CZ-CG2 4.22Å; I393-V682 HydrophobicContact CD1-CB 4.46Å; I393-V682 HydrophobicContact CD1-CG1 3.88Å; I393-V682 HydrophobicContact CD1-CG2 3.67Å; I393-V682 HydrophobicContact CG1-CG1 4.31Å; I393-V682 HydrophobicContact CG1-CG2 4.04Å; I393-V682 HydrophobicContact CG2-CG1 3.96Å; I674-V682 CarbonylContact C-O 3.55Å; I674-V682 VanDerWaalsContact CA-O 3.29Å; I674-V682 WeakPolarHBondContact CA-O 3.23Å; R675-V682 PolarHBondContact N-O 3.46Å; R675-V682 PolarHBondContact O-N 3.4Å; V682-L697 WeakPolarHBondContact CA-O 3.33Å; V682-V698 HydrophobicContact CG1-CG2 4.22Å; V682-V698 HydrophobicContact CG2-CG2 4.26Å
683	C	98.8	Very high	97.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.3	176.7	-48.2	0	0	0	0	109.7	V671 I674 V685 L696 L697	V671-C683 HydrophobicContact CG1-CB 3.98Å; I674-C683 HydrophobicContact CG2-CB 4.17Å; C683-V685 HydrophobicContact CB-CG2 4.12Å; C683-L696 CarbonylContact O-C 3.58Å; C683-L696 VanDerWaalsContact O-CA 3.27Å; C683-L696 WeakPolarHBondContact O-CA 3.49Å; C683-L697 HydrophobicContact CB-CB 4.29Å; C683-L697 PolarHBondContact N-O 3.09Å; C683-L697 PolarHBondContact O-N 3.14Å
684	A	98.8	Very high	97.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.8	164.1	0	0	0	0	0	109.3	I383 L386 V671 W672 R673 L696	I383-A684 HydrophobicContact CB-CB 3.98Å; I383-A684 HydrophobicContact CD1-CB 4.27Å; I383-A684 HydrophobicContact CG2-CB 3.75Å; L386-A684 HydrophobicContact CD2-CB 4.24Å; V671-A684 CarbonylContact C-O 3.58Å; W672-A684 PolarHBondContact N-O 3.47Å; R673-A684 HydrophobicContact CB-CB 4.48Å; R673-A684 PolarHBondContact O-N 2.8Å; A684-L696 HydrophobicContact CB-CD2 3.84Å
685	V	98.6	Very high	97.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	146.7	-167.6	171.6	0	0	0	0	109.8	L662 V670 V671 W672 C683 E692 T694 K695 L697	L662-V685 HydrophobicContact CD1-CG1 3.62Å; L662-V685 HydrophobicContact CD2-CG1 3.84Å; L662-V685 HydrophobicContact CG-CG1 4.39Å; V670-V685 WeakPolarHBondContact O-CA 3.48Å; V671-V685 HydrophobicContact CG1-CG2 4.22Å; V671-V685 HydrophobicContact CG2-CG2 4.18Å; W672-V685 WeakPolarHBondContact CZ3-O 3.44Å; C683-V685 HydrophobicContact CB-CG2 4.12Å; V685-E692 HydrophobicContact CG1-CG 3.74Å; V685-T694 CarbonylContact O-C 3.56Å; V685-T694 WeakPolarHBondContact O-CA 3.27Å; V685-K695 HydrophobicContact CB-CG 4.39Å; V685-K695 HydrophobicContact CG1-CG 4.47Å; V685-K695 PolarHBondContact N-O 3.39Å; V685-K695 PolarHBondContact O-N 3.02Å; V685-K695 VanDerWaalsContact O-O 3.05Å; V685-L697 HydrophobicContact CG2-CD1 3.96Å; V685-L697 HydrophobicContact CG2-CG 4.11Å
686	G	98.2	Very high	97.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.3	-160.3	169.6	0	0	0	0	0	110.5	V670 W672 E692	V670-G686 PolarHBondContact N-O 3.45Å; V670-G686 PolarHBondContact O-N 2.98Å; W672-G686 VanDerWaalsContact CH2-CA 3.47Å; G686-E692 CarbonylContact C-O 3.59Å; G686-E692 WeakPolarHBondContact CA-O 3.41Å
687	S	97.4	Very high	97.3	Very high	10 Å²	10	37 Å²	37	7%	0.07	20%	0.195	C	C	.	.			trans	-145.6	166	177.5	59.1	0	0	0	0	110.1	G668 N689 G690 T691 E692	G668-S687 WeakPolarHBondContact O-CA 3.49Å; G668-S687 WeakPolarHBondContact O-CB 3.23Å; S687-N689 WeakPolarHBondContact CB-OD1 3.44Å; S687-G690 PolarHBondContact OG-N 3.45Å; S687-T691 PolarHBondContact OG-N 2.98Å; S687-E692 PolarHBondContact N-O 3.06Å; S687-E692 PolarHBondContact OG-N 3.06Å; S687-E692 PolarHBondContact OG-O 3.02Å
688	R	93.1	Very high	97.4	Very high	235 Å²	235	35 Å²	35	89%	0.887	18%	0.181	S	C	*	.	S	Bend	trans	-91.8	-9.2	170.3	-62.7	-175.6	-170.7	158.1	4.3	113.4
689	N	93.9	Very high	97.5	Very high	95 Å²	95	32 Å²	32	51%	0.508	17%	0.165	S	C	.	.	S	Bend	trans	-127.7	24.1	-168.6	67.1	-9	0	0	0	112.8	S667 S687 T691	S667-N689 PolarHBondContact O-ND2 3.08Å; S687-N689 WeakPolarHBondContact CB-OD1 3.44Å; N689-T691 PolarHBondContact O-N 3.26Å; N689-T691 WeakPolarHBondContact OD1-CB 3.2Å; N689-T691 WeakPolarHBondContact OD1-CG2 3.21Å; N689-T691 PolarHBondContact OD1-N 3.21Å; N689-T691 PolarHBondContact OD1-OG1 3.48Å
690	G	93.3	Very high	97.6	Very high	57 Å²	57	33.2 Å²	33.2	59%	0.588	17%	0.171	S	C	*	.	S	Bend	trans	69.6	-8	178.2	0	0	0	0	0	116.6	S687 E692	S687-G690 PolarHBondContact OG-N 3.45Å; G690-E692 PolarHBondContact O-N 3.05Å; G690-E692 VanDerWaalsContact O-N 3.15Å
691	T	96.2	Very high	97.5	Very high	61 Å²	61	32.4 Å²	32.4	37%	0.374	17%	0.167	S	C	.	.	S	Bend	trans	-63.8	-20.6	-177.5	57.1	0	0	0	0	114.3	G668 S687 N689	G668-T691 WeakPolarHBondContact CA-OG1 3.24Å; S687-T691 PolarHBondContact OG-N 2.98Å; N689-T691 PolarHBondContact O-N 3.26Å; N689-T691 WeakPolarHBondContact OD1-CB 3.2Å; N689-T691 WeakPolarHBondContact OD1-CG2 3.21Å; N689-T691 PolarHBondContact OD1-N 3.21Å; N689-T691 PolarHBondContact OD1-OG1 3.48Å
692	E	97.7	Very high	97.4	Very high	33 Å²	33	34.6 Å²	34.6	15%	0.154	18%	0.179	C	C	.	.	S	Bend	trans	-141.7	111.3	175.9	-172.6	68.8	-150	0	0	108.9	L662 S664 V685 G686 S687 G690 K695	L662-E692 HydrophobicContact CD1-CG 4.36Å; S664-E692 WeakPolarHBondContact CB-OE2 3.48Å; S664-E692 PolarHBondContact OG-OE2 3.42Å; V685-E692 HydrophobicContact CG1-CG 3.74Å; G686-E692 CarbonylContact C-O 3.59Å; G686-E692 WeakPolarHBondContact CA-O 3.41Å; S687-E692 PolarHBondContact N-O 3.06Å; S687-E692 PolarHBondContact OG-N 3.06Å; S687-E692 PolarHBondContact OG-O 3.02Å; G690-E692 PolarHBondContact O-N 3.05Å; G690-E692 VanDerWaalsContact O-N 3.15Å; E692-K695 WeakPolarHBondContact OE1-CE 3.47Å; E692-K695 IonicContact OE1-NZ 2.59Å; E692-K695 PolarHBondContact OE1-NZ 3.4Å
693	E	97.7	Very high	97	Very high	91 Å²	91	35.8 Å²	35.8	43%	0.425	19%	0.186	S	C	.	.			trans	-53.9	143.8	176.2	-53.2	170.5	142	0	0	111.4	K376 K695	K376-E693 WeakPolarHBondContact CE-OE2 3.39Å; K376-E693 IonicContact NZ-OE1 2.68Å; K376-E693 PolarHBondContact NZ-OE1 2.91Å; K376-E693 IonicContact NZ-OE2 2.72Å; K376-E693 PolarHBondContact NZ-OE2 2.72Å; E693-K695 WeakPolarHBondContact O-CG 3.38Å; E693-K695 PolarHBondContact O-N 3.07Å; E693-K695 PolarHBondContact O-NZ 3.33Å
694	T	98.5	Very high	96	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.012	22%	0.216	C	C	.	.			trans	-68.6	127.9	174.3	-67.6	0	0	0	0	112.5	H378 H381 I383 W672 V685	H378-T694 HydrophobicContact CB-CG2 3.95Å; H378-T694 WeakPolarHBondContact O-CB 3.46Å; H378-T694 WeakPolarHBondContact O-CG2 3.42Å; H381-T694 WeakPolarHBondContact O-CB 3.42Å; H381-T694 WeakPolarHBondContact O-CG2 3.28Å; H381-T694 PolarHBondContact O-OG1 2.88Å; I383-T694 HydrophobicContact CD1-CG2 3.62Å; I383-T694 HydrophobicContact CG1-CG2 3.68Å; W672-T694 HydrophobicContact CH2-CG2 4.34Å; W672-T694 WeakPolarHBondContact CH2-OG1 3.49Å; W672-T694 HydrophobicContact CZ3-CG2 4.01Å; V685-T694 CarbonylContact O-C 3.56Å; V685-T694 WeakPolarHBondContact O-CA 3.27Å
695	K	98.6	Very high	94.4	Very high	19 Å²	19	43.6 Å²	43.6	8%	0.083	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	163.2	-176.4	56.2	-170.7	159.1	-77.8	0	113	V374 L375 V685 E692 E693 L697	V374-K695 HydrophobicContact CG1-CB 4.26Å; V374-K695 HydrophobicContact CG1-CD 3.7Å; L375-K695 CarbonylContact O-C 3.58Å; L375-K695 VanDerWaalsContact O-CA 3.31Å; L375-K695 WeakPolarHBondContact O-CA 3.43Å; L375-K695 WeakPolarHBondContact O-CB 3.34Å; V685-K695 HydrophobicContact CB-CG 4.39Å; V685-K695 HydrophobicContact CG1-CG 4.47Å; V685-K695 PolarHBondContact N-O 3.39Å; V685-K695 PolarHBondContact O-N 3.02Å; V685-K695 VanDerWaalsContact O-O 3.05Å; E692-K695 WeakPolarHBondContact OE1-CE 3.47Å; E692-K695 IonicContact OE1-NZ 2.59Å; E692-K695 PolarHBondContact OE1-NZ 3.4Å; E693-K695 WeakPolarHBondContact O-CG 3.38Å; E693-K695 PolarHBondContact O-N 3.07Å; E693-K695 PolarHBondContact O-NZ 3.33Å; K695-L697 HydrophobicContact CD-CD2 4.3Å; K695-L697 HydrophobicContact CG-CD2 4.49Å
696	L	98.9	Very high	92.1	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	140.1	162.5	-55.3	179.9	0	0	0	110.8	L375 I383 L386 I393 W405 C683 A684	L375-L696 HydrophobicContact CB-CB 4.2Å; L375-L696 HydrophobicContact CD1-CB 4.03Å; L375-L696 PolarHBondContact N-O 3.25Å; L375-L696 PolarHBondContact O-N 2.95Å; I383-L696 HydrophobicContact CD1-CD2 3.7Å; I383-L696 HydrophobicContact CD1-CG 4.37Å; L386-L696 HydrophobicContact CD1-CD1 4.37Å; L386-L696 HydrophobicContact CD1-CD2 3.92Å; I393-L696 HydrophobicContact CG2-CD1 3.79Å; W405-L696 HydrophobicContact CD2-CD1 4.42Å; W405-L696 HydrophobicContact CG-CD1 4.23Å; C683-L696 CarbonylContact O-C 3.58Å; C683-L696 VanDerWaalsContact O-CA 3.27Å; C683-L696 WeakPolarHBondContact O-CA 3.49Å; A684-L696 HydrophobicContact CB-CD2 3.84Å
697	L	98.8	Very high	91.8	Very high	13 Å²	13	57.4 Å²	57.4	7%	0.068	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.6	168.5	-57.5	-178.1	0	0	0	109.6	P372 K373 V374 V660 L662 V682 C683 V685 K695 L699	P372-L697 HydrophobicContact CB-CB 4.2Å; P372-L697 HydrophobicContact CG-CD2 4.27Å; K373-L697 WeakPolarHBondContact O-CA 3.37Å; V374-L697 HydrophobicContact CG2-CD2 3.87Å; V660-L697 HydrophobicContact CG1-CD1 4.02Å; L662-L697 HydrophobicContact CD2-CD1 4.31Å; V682-L697 WeakPolarHBondContact CA-O 3.33Å; C683-L697 HydrophobicContact CB-CB 4.29Å; C683-L697 PolarHBondContact N-O 3.09Å; C683-L697 PolarHBondContact O-N 3.14Å; V685-L697 HydrophobicContact CG2-CD1 3.96Å; V685-L697 HydrophobicContact CG2-CG 4.11Å; K695-L697 HydrophobicContact CD-CD2 4.3Å; K695-L697 HydrophobicContact CG-CD2 4.49Å; L697-L699 HydrophobicContact CB-CD1 4.36Å
698	V	98.7	Very high	91.5	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.024	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	109.4	177.3	-179.3	0	0	0	0	111	P372 K373 L375 I393 L681 V682	P372-V698 WeakPolarHBondContact CA-O 3.27Å; K373-V698 HydrophobicContact CB-CB 4.36Å; K373-V698 PolarHBondContact N-O 2.76Å; K373-V698 PolarHBondContact O-N 3.41Å; L375-V698 HydrophobicContact CD1-CB 4.3Å; L375-V698 HydrophobicContact CD1-CG2 3.55Å; I393-V698 HydrophobicContact CD1-CG2 3.68Å; L681-V698 WeakPolarHBondContact O-CA 3.5Å; V682-V698 HydrophobicContact CG1-CG2 4.22Å; V682-V698 HydrophobicContact CG2-CG2 4.26Å
699	L	98.5	Very high	91.4	Very high	7 Å²	7	50.1 Å²	50.1	4%	0.037	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	145.1	177.8	-64.8	74.8	0	0	0	110.2	L369 P372 L659 V660 K680 L681 L697 F701	L369-L699 HydrophobicContact CD2-CD2 4.33Å; P372-L699 HydrophobicContact CB-CD1 3.98Å; P372-L699 HydrophobicContact CB-CG 4.11Å; L659-L699 HydrophobicContact CB-CD2 4.39Å; L659-L699 WeakPolarHBondContact O-CD2 3.32Å; V660-L699 HydrophobicContact CG2-CD1 3.94Å; V660-L699 HydrophobicContact CG2-CD2 4.17Å; K680-L699 VanDerWaalsContact CA-O 3.32Å; K680-L699 WeakPolarHBondContact CA-O 3.46Å; L681-L699 HydrophobicContact CB-CB 4.31Å; L681-L699 HydrophobicContact CD2-CD1 4.41Å; L681-L699 HydrophobicContact CD2-CD2 4.46Å; L681-L699 PolarHBondContact N-O 2.94Å; L681-L699 PolarHBondContact O-N 3.27Å; L697-L699 HydrophobicContact CB-CD1 4.36Å; L699-F701 HydrophobicContact CB-CE2 3.73Å; L699-F701 HydrophobicContact CB-CZ 4.08Å; L699-F701 HydrophobicContact CD2-CE2 4.31Å; L699-F701 HydrophobicContact CD2-CZ 3.92Å
700	D	97.5	Very high	91.3	Very high	47 Å²	47	47.5 Å²	47.5	25%	0.251	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	101.8	-174.5	-160.2	-12.7	0	0	0	113.3	K370 K680 D702	K370-D700 WeakPolarHBondContact CE-O 3.21Å; K370-D700 PolarHBondContact NZ-O 3.47Å; K680-D700 WeakPolarHBondContact CE-OD2 3.38Å; K680-D700 IonicContact NZ-OD1 2.63Å; K680-D700 PolarHBondContact NZ-OD1 3.32Å; K680-D700 IonicContact NZ-OD2 2.82Å; K680-D700 PolarHBondContact NZ-OD2 3.39Å; D700-D702 WeakPolarHBondContact OD1-CB 3.44Å; D700-D702 PolarHBondContact OD1-N 3.05Å; D700-D702 VanDerWaalsContact OD1-N 3.12Å
701	F	97.3	Very high	91.1	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.026	23%	0.232	C	C	.	.			trans	-90.7	4.7	179	-57.6	-82.2	0	0	0	113.4	N363 W364 L369 L659 T679 L681 L699	N363-F701 VanDerWaalsContact ND2-C 3.3Å; N363-F701 WeakPolarHBondContact ND2-CA 3.44Å; N363-F701 PolarHBondContact ND2-O 3.28Å; W364-F701 HydrophobicContact CD2-CB 4.17Å; W364-F701 HydrophobicContact CD2-CD1 4.09Å; W364-F701 AromaticContact CD2-CD2 3.66Å; W364-F701 HydrophobicContact CD2-CD2 3.66Å; W364-F701 HydrophobicContact CD2-CE1 4.43Å; W364-F701 HydrophobicContact CD2-CE2 4.04Å; W364-F701 AromaticContact CD2-CG 3.69Å; W364-F701 HydrophobicContact CD2-CG 3.69Å; W364-F701 HydrophobicContact CD2-CZ 4.41Å; W364-F701 AromaticContact CE2-CD2 3.56Å; W364-F701 AromaticContact CE2-CG 3.77Å; W364-F701 HydrophobicContact CE3-CD1 4.32Å; W364-F701 AromaticContact CE3-CD2 3.72Å; W364-F701 HydrophobicContact CE3-CD2 3.72Å; W364-F701 HydrophobicContact CE3-CE1 4.21Å; W364-F701 AromaticContact CE3-CE2 3.6Å; W364-F701 HydrophobicContact CE3-CE2 3.6Å; W364-F701 HydrophobicContact CE3-CG 4.09Å; W364-F701 AromaticContact CE3-CZ 3.86Å; W364-F701 HydrophobicContact CE3-CZ 3.86Å; W364-F701 HydrophobicContact CG-CB 4.19Å; W364-F701 HydrophobicContact CG-CD1 4.17Å; W364-F701 HydrophobicContact CG-CD2 4.46Å; W364-F701 HydrophobicContact CG-CG 4.01Å; W364-F701 AromaticContact CH2-CD2 3.69Å; W364-F701 HydrophobicContact CH2-CD2 3.69Å; W364-F701 AromaticContact CH2-CE2 3.75Å; W364-F701 HydrophobicContact CH2-CE2 3.75Å; W364-F701 AromaticContact CZ2-CD2 3.58Å; W364-F701 HydrophobicContact CZ2-CD2 3.58Å; W364-F701 HydrophobicContact CZ2-CE2 4.14Å; W364-F701 HydrophobicContact CZ2-CG 4.26Å; W364-F701 AromaticContact CZ3-CD2 3.74Å; W364-F701 HydrophobicContact CZ3-CD2 3.74Å; W364-F701 AromaticContact CZ3-CE2 3.44Å; W364-F701 HydrophobicContact CZ3-CE2 3.44Å; W364-F701 VanDerWaalsContact CZ3-CE2 3.44Å; W364-F701 HydrophobicContact CZ3-CZ 4.04Å; L369-F701 HydrophobicContact CD2-CE1 3.9Å; L369-F701 HydrophobicContact CD2-CZ 4.14Å; L659-F701 HydrophobicContact CD1-CZ 4.36Å; L659-F701 HydrophobicContact CD2-CE1 4.24Å; L659-F701 HydrophobicContact CD2-CZ 4.02Å; T679-F701 WeakPolarHBondContact O-CA 3.28Å; T679-F701 PolarHBondContact O-N 3.24Å; L681-F701 HydrophobicContact CB-CE2 4Å; L699-F701 HydrophobicContact CB-CE2 3.73Å; L699-F701 HydrophobicContact CB-CZ 4.08Å; L699-F701 HydrophobicContact CD2-CE2 4.31Å; L699-F701 HydrophobicContact CD2-CZ 3.92Å
702	D	95.1	Very high	90.8	Very high	45 Å²	45	45.9 Å²	45.9	24%	0.241	22%	0.223	C	C	.	.			trans	-65.2	159.3	172	-144.3	-24.8	0	0	0	112.2	R356 K370 T679 D700	R356-D702 IonicContact CZ-OD1 3.88Å; R356-D702 IonicContact CZ-OD2 3.77Å; R356-D702 IonicContact NE-OD1 2.94Å; R356-D702 PolarHBondContact NE-OD1 3.45Å; R356-D702 IonicContact NH2-OD1 3.34Å; R356-D702 PolarHBondContact NH2-OD1 3.47Å; R356-D702 IonicContact NH2-OD2 2.86Å; R356-D702 PolarHBondContact NH2-OD2 3.22Å; K370-D702 PolarHBondContact NZ-O 2.77Å; T679-D702 HydrophobicContact CG2-CB 3.97Å; T679-D702 PolarHBondContact O-N 3.03Å; D700-D702 WeakPolarHBondContact OD1-CB 3.44Å; D700-D702 PolarHBondContact OD1-N 3.05Å; D700-D702 VanDerWaalsContact OD1-N 3.12Å
703	V	91.1	Very high	90.3	Very high	26 Å²	26	46.9 Å²	46.9	16%	0.158	23%	0.228	C	C	.	.			trans	-127.5	132.6	-165	-60.6	0	0	0	0	112.1	R356 R359 I360 N363 M705	R356-V703 HydrophobicContact CG-CG2 3.87Å; R359-V703 HydrophobicContact CB-CB 4.35Å; R359-V703 HydrophobicContact CB-CG1 4.08Å; R359-V703 HydrophobicContact CB-CG2 4.01Å; I360-V703 HydrophobicContact CG1-CG1 4.11Å; I360-V703 HydrophobicContact CG1-CG2 3.99Å; N363-V703 HydrophobicContact CB-CG1 4.28Å; V703-M705 HydrophobicContact CG2-CG 4.44Å; V703-M705 HydrophobicContact CG2-SD 4.39Å; V703-M705 PolarHBondContact O-N 3.03Å
704	D	78.8	Confident	89.7	Confident	115 Å²	115	43.5 Å²	43.5	62%	0.615	21%	0.213	S	C	*	.			trans	-66.9	98.4	179.1	-94.7	2.9	0	0	0	111.3	K706	D704-K706 HydrophobicContact CB-CD 4.23Å; D704-K706 HydrophobicContact CB-CG 4.37Å; D704-K706 PolarHBondContact O-N 2.81Å; D704-K706 WeakPolarHBondContact OD2-CE 3.39Å; D704-K706 IonicContact OD2-NZ 2.71Å; D704-K706 PolarHBondContact OD2-NZ 3.11Å
705	M	65.5	Low	89	Confident	49 Å²	49	46.9 Å²	46.9	24%	0.241	23%	0.229	C	C	.	.			trans	-82.8	62.4	170.5	-63.1	-65.3	-74.9	0	0	110.5	L333 I335 R356 R359 V703	L333-M705 HydrophobicContact CD2-CE 3.89Å; L333-M705 HydrophobicContact CD2-CG 4.41Å; I335-M705 HydrophobicContact CD1-CE 3.94Å; R356-M705 HydrophobicContact CB-CE 4.1Å; R356-M705 HydrophobicContact CB-CG 4.43Å; R356-M705 HydrophobicContact CB-SD 4.08Å; R356-M705 HydrophobicContact CG-CG 4.27Å; R356-M705 HydrophobicContact CG-SD 4.39Å; R359-M705 PolarHBondContact NH1-SD 3.03Å; V703-M705 HydrophobicContact CG2-CG 4.44Å; V703-M705 HydrophobicContact CG2-SD 4.39Å; V703-M705 PolarHBondContact O-N 3.03Å
706	K	49.3	Very low	88.1	Confident	231 Å²	231	49.5 Å²	49.5	100%	1.004	24%	0.243	S	C	*	.			trans	-84.4	0	174.5	-75	170.2	176.1	158.2	0	112.2	D704	D704-K706 HydrophobicContact CB-CD 4.23Å; D704-K706 HydrophobicContact CB-CG 4.37Å; D704-K706 PolarHBondContact O-N 2.81Å; D704-K706 WeakPolarHBondContact OD2-CE 3.39Å; D704-K706 IonicContact OD2-NZ 2.71Å; D704-K706 PolarHBondContact OD2-NZ 3.11Å

Retrieved 706 of 706 residues in 4108.9 ms (Link to these results)

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