A0A2K5NM10_CERAT Loading...

Stress-70 protein, mitochondrial

AlphaFold DB , UniProt , Accession A0A2K5NM10, Species CERAT (Cercocebus atys, Sooty mangabey), Gene n/a, Length 679 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	33.3	Very low	29.7	Very low	236 Å²	236	139.4 Å²	139.4	100%	1.163	82%	0.819	S	S	*	*				0	120.1	0	-71.9	-179.6	-163.5	0	0	108.1
2	I	30.2	Very low	29.6	Very low	156 Å²	156	139.9 Å²	139.9	80%	0.8	81%	0.814	S	S	*	*			trans	36.5	100.6	143	-49	177.1	0	0	0	115.9
3	S	27.4	Very low	29.5	Very low	107 Å²	107	139.8 Å²	139.8	75%	0.748	82%	0.816	S	S	*	*				74.2	145.6	84	110.2	0	0	0	0	116.5
4	A	30.8	Very low	29.3	Very low	81 Å²	81	134.5 Å²	134.5	67%	0.669	81%	0.806	S	S	*	*			trans	86.6	94.5	151.8	0	0	0	0	0	120.1
5	S	29.7	Very low	29.3	Very low	101 Å²	101	132.2 Å²	132.2	71%	0.706	81%	0.808	S	S	*	*				54.3	147.4	107	77.8	0	0	0	0	122.7
6	R	30.4	Very low	29.2	Very low	238 Å²	238	130.4 Å²	130.4	90%	0.898	81%	0.81	S	S	*	*			trans	96.5	149.2	153.2	-65.4	-179.3	171.8	-156.8	-3.4	116
7	A	29.6	Very low	29.4	Very low	95 Å²	95	129.1 Å²	129.1	79%	0.785	82%	0.816	S	S	*	*			cis	-167.2	161.3	-27	0	0	0	0	0	105.7
8	A	29.9	Very low	29.5	Very low	100 Å²	100	127.9 Å²	127.9	83%	0.826	81%	0.812	S	S	*	*			trans	-56.9	152.8	-179.2	0	0	0	0	0	116.4
9	A	28.2	Very low	29.6	Very low	98 Å²	98	134.1 Å²	134.1	81%	0.81	82%	0.818	S	S	*	*			trans	-167.5	112.3	139.6	0	0	0	0	0	106.8
10	A	27.8	Very low	29.6	Very low	87 Å²	87	131.2 Å²	131.2	72%	0.719	82%	0.816	S	S	*	*				82.3	119.3	52.4	0	0	0	0	0	115
11	R	29	Very low	29.7	Very low	234 Å²	234	130.5 Å²	130.5	88%	0.883	81%	0.814	S	S	*	*			trans	79.7	146.6	158.4	-60	178.2	169.6	-178.7	-3.3	116.5
12	L	28.5	Very low	29.4	Very low	146 Å²	146	126 Å²	126	76%	0.764	80%	0.8	S	S	*	*			cis	-148.5	139	28.6	-100.9	105.9	0	0	0	109.7
13	V	28.5	Very low	29.5	Very low	138 Å²	138	123.8 Å²	123.8	84%	0.836	80%	0.804	S	S	*	*				74.9	125.8	89.7	-177.6	0	0	0	0	115.8
14	G	27.3	Very low	29.6	Very low	66 Å²	66	123.3 Å²	123.3	68%	0.68	81%	0.807	S	S	*	*			trans	150.2	77.9	159.1	0	0	0	0	0	112.9
15	A	28.8	Very low	29.8	Very low	100 Å²	100	131.5 Å²	131.5	83%	0.826	82%	0.82	S	S	*	*				72.6	96.1	102.1	0	0	0	0	0	113.3
16	A	28.2	Very low	29.7	Very low	103 Å²	103	135.3 Å²	135.3	85%	0.851	83%	0.827	S	S	*	*				86.3	105.8	80.4	0	0	0	0	0	113.9
17	A	31.6	Very low	29.9	Very low	109 Å²	109	132.6 Å²	132.6	90%	0.901	82%	0.824	S	S	*	*			trans	-156.1	137.2	144.2	0	0	0	0	0	109.6
18	S	31.1	Very low	30	Very low	107 Å²	107	135.8 Å²	135.8	75%	0.748	83%	0.828	S	S	*	*			trans	-100.7	147.7	-160.2	47.3	0	0	0	0	113.1
19	R	31.8	Very low	29.8	Very low	246 Å²	246	134.1 Å²	134.1	93%	0.928	82%	0.82	S	S	*	*				163.6	116.7	122	-88.5	173.1	179.2	-163.3	-0.2	112.2
20	G	30	Very low	29.9	Very low	76 Å²	76	141.2 Å²	141.2	78%	0.784	83%	0.826	S	S	*	*			trans	80.2	106.8	142	0	0	0	0	0	118.9
21	P	32	Very low	30.4	Very low	117 Å²	117	145.3 Å²	145.3	76%	0.76	84%	0.836	S	S	*	*			trans	-101.7	170.5	-177.3	35.8	-26.2	0	0	0	113.6
22	T	27.5	Very low	30.6	Very low	141 Å²	141	137.6 Å²	137.6	87%	0.865	83%	0.829	S	S	*	*			trans	116.3	86.7	150.8	66	0	0	0	0	117.2
23	A	31.5	Very low	30.8	Very low	109 Å²	109	137.9 Å²	137.9	90%	0.901	83%	0.831	S	S	*	*			trans	-167.1	86.9	141.6	0	0	0	0	0	108.9
24	A	29.5	Very low	31.4	Very low	97 Å²	97	134.9 Å²	134.9	80%	0.802	82%	0.816	S	S	*	*			trans	-142.6	121.3	164.7	0	0	0	0	0	109.1
25	R	35	Very low	32	Very low	253 Å²	253	140.5 Å²	140.5	96%	0.955	82%	0.824	S	S	*	*			trans	-56.4	127.6	177	-69.3	169.1	168.1	172.7	-5.6	110.3
26	H	28.8	Very low	32.2	Very low	181 Å²	181	141.9 Å²	141.9	84%	0.838	81%	0.814	S	S	*	*			trans	-114.6	113	157.1	-99.7	-75.8	0	0	0	108.2
27	Q	34	Very low	32.4	Very low	182 Å²	182	139.2 Å²	139.2	85%	0.85	79%	0.792	S	S	*	*			trans	-63.3	119	145.6	-79.9	170.1	-38.7	0	0	106.2
28	D	31.7	Very low	32.8	Very low	162 Å²	162	142.6 Å²	142.6	87%	0.866	79%	0.786	S	S	*	*			trans	171	137.4	140.4	-88.8	-25.2	0	0	0	109.4
29	G	26	Very low	33.1	Very low	64 Å²	64	145.8 Å²	145.8	66%	0.66	78%	0.782	S	S	*	*			trans	123.9	102.1	173.8	0	0	0	0	0	110.6
30	W	28.9	Very low	33.2	Very low	247 Å²	247	138.7 Å²	138.7	94%	0.936	76%	0.761	S	S	*	*			trans	-179.8	70.3	133	-94.6	38.1	0	0	0	106.6
31	N	38.1	Very low	33.5	Very low	173 Å²	173	140.5 Å²	140.5	93%	0.925	76%	0.757	S	S	*	*			trans	-134.7	102.1	162.4	-102.1	-10.5	0	0	0	105.5
32	G	34.6	Very low	33.9	Very low	72 Å²	72	139.2 Å²	139.2	74%	0.742	75%	0.751	S	S	*	*			trans	152.9	42.6	-177.4	0	0	0	0	0	115.1
33	L	31.8	Very low	34.4	Very low	152 Å²	152	141.7 Å²	141.7	80%	0.796	74%	0.744	S	S	*	*			trans	-115.4	95.3	155	-74.7	171.1	0	0	0	106.3
34	S	40.9	Very low	34.4	Very low	76 Å²	76	146.3 Å²	146.3	53%	0.531	74%	0.738	S	S	.	*			trans	-67.4	152.1	-176.6	52.9	0	0	0	0	111.3	E36 A37	S34-E36 PolarHBondContact O-N 2.8Å; S34-A37 PolarHBondContact O-N 3.34Å; S34-A37 VanDerWaalsContact O-N 3.08Å
35	H	39.9	Very low	34.7	Very low	183 Å²	183	148.7 Å²	148.7	85%	0.847	74%	0.738	S	S	*	*	H	α-helix	trans	-37.2	-17.9	167.9	-108.8	-94.4	0	0	0	116.2
36	E	33.9	Very low	34.8	Very low	130 Å²	130	145.8 Å²	145.8	61%	0.607	73%	0.728	S	S	*	*	H	α-helix	trans	-80.8	-32.2	-175.5	-146.8	164.9	-165.6	0	0	112.8	S34 F38 R39 I40	S34-E36 PolarHBondContact O-N 2.8Å; E36-F38 PolarHBondContact O-N 3.3Å; E36-R39 PolarHBondContact O-N 3.21Å; E36-I40 HydrophobicContact CG-CD1 4.48Å; E36-I40 WeakPolarHBondContact O-CG1 2.8Å; E36-I40 PolarHBondContact O-N 3.04Å; E36-I40 VanDerWaalsContact O-N 3.13Å
37	A	32.9	Very low	35.1	Very low	47 Å²	47	142 Å²	142	39%	0.388	73%	0.728	S	S	.	*	H	α-helix	trans	-66.7	-37.7	179.4	0	0	0	0	0	112	S34 V41	S34-A37 PolarHBondContact O-N 3.34Å; S34-A37 VanDerWaalsContact O-N 3.08Å; A37-V41 WeakPolarHBondContact O-CG2 3.43Å; A37-V41 PolarHBondContact O-N 3.29Å
38	F	38.7	Very low	35.6	Very low	179 Å²	179	137.4 Å²	137.4	79%	0.785	72%	0.716	S	S	*	*	H	α-helix	trans	-74.7	-29.3	174.3	-98.3	-87.2	0	0	0	113.1	E36 I40 S42	E36-F38 PolarHBondContact O-N 3.3Å; F38-I40 VanDerWaalsContact C-N 3.28Å; F38-I40 PolarHBondContact O-N 2.55Å; F38-S42 PolarHBondContact O-N 2.79Å; F38-S42 PolarHBondContact O-OG 3.16Å
39	R	37.8	Very low	36.7	Very low	175 Å²	175	138.4 Å²	138.4	66%	0.66	72%	0.715	S	S	*	*	H	α-helix	trans	-71.1	-24	176.7	-153.7	178.2	174.3	-168.7	0	112.9	E36 S42	E36-R39 PolarHBondContact O-N 3.21Å; R39-S42 PolarHBondContact O-OG 3.07Å
40	I	34.1	Very low	38.6	Very low	96 Å²	96	139.3 Å²	139.3	49%	0.492	72%	0.717	S	S	.	*	H	α-helix	trans	-87.5	-33.4	178.6	-68.5	168.6	0	0	0	111.6	E36 F38 R43	E36-I40 HydrophobicContact CG-CD1 4.48Å; E36-I40 WeakPolarHBondContact O-CG1 2.8Å; E36-I40 PolarHBondContact O-N 3.04Å; E36-I40 VanDerWaalsContact O-N 3.13Å; F38-I40 VanDerWaalsContact C-N 3.28Å; F38-I40 PolarHBondContact O-N 2.55Å; I40-R43 PolarHBondContact O-N 2.73Å
41	V	37	Very low	41	Very low	114 Å²	114	129.8 Å²	129.8	69%	0.691	68%	0.684	S	S	*	*	H	α-helix	trans	-71.9	-29.4	179.5	176	0	0	0	0	112	A37 R43	A37-V41 WeakPolarHBondContact O-CG2 3.43Å; A37-V41 PolarHBondContact O-N 3.29Å; V41-R43 VanDerWaalsContact C-N 3.3Å; V41-R43 PolarHBondContact O-N 3.28Å
42	S	38.8	Very low	42.8	Very low	90 Å²	90	130.3 Å²	130.3	63%	0.629	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-13.9	174.7	58.7	0	0	0	0	114.7	F38 R39	F38-S42 PolarHBondContact O-N 2.79Å; F38-S42 PolarHBondContact O-OG 3.16Å; R39-S42 PolarHBondContact O-OG 3.07Å
43	R	38.9	Very low	45	Very low	193 Å²	193	129.6 Å²	129.6	73%	0.728	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-13.6	-177	-90.5	-175.9	169.6	-179.5	-3	114.8	I40 V41	I40-R43 PolarHBondContact O-N 2.73Å; V41-R43 VanDerWaalsContact C-N 3.3Å; V41-R43 PolarHBondContact O-N 3.28Å
44	R	31.8	Very low	47.6	Very low	206 Å²	206	123.9 Å²	123.9	78%	0.777	65%	0.645	S	S	*	*	S	Bend	trans	-93.4	-13	-161.2	-124.5	175	175.1	158.2	-1.4	117
45	D	34.8	Very low	50.2	Low	147 Å²	147	120.7 Å²	120.7	79%	0.786	62%	0.622	S	S	*	*	S	Bend	trans	-130.5	9.2	-179.7	-70.3	-44.3	0	0	0	116.2
46	Y	37.5	Very low	52.9	Low	193 Å²	193	112 Å²	112	76%	0.757	58%	0.582	S	S	*	*			trans	-138.2	53	172.2	-75	-85.1	0	0	0	112.5	S48	Y46-S48 PolarHBondContact O-N 2.69Å
47	A	35	Very low	56	Low	100 Å²	100	105.8 Å²	105.8	83%	0.826	55%	0.553	S	S	*	*			trans	-73.7	75.6	160.5	0	0	0	0	0	108.6
48	S	45	Very low	59.1	Low	86 Å²	86	103.6 Å²	103.6	60%	0.601	53%	0.534	S	S	*	.			trans	-63.6	149	164.7	64.8	0	0	0	0	108.6	Y46 A50	Y46-S48 PolarHBondContact O-N 2.69Å; S48-A50 PolarHBondContact O-N 2.92Å
49	E	54.8	Low	61.9	Low	183 Å²	183	96.1 Å²	96.1	86%	0.855	50%	0.503	S	S	*	.			trans	-43.9	134.6	162	-69.7	-177.6	137.9	0	0	109.1	I51	E49-I51 PolarHBondContact O-N 2.64Å; E49-I51 VanDerWaalsContact O-N 3.11Å
50	A	65.9	Low	64.8	Low	83 Å²	83	88.1 Å²	88.1	69%	0.686	47%	0.473	S	S	*	.			trans	-50.2	124.4	178.5	0	0	0	0	0	109.1	S48 K52	S48-A50 PolarHBondContact O-N 2.92Å; A50-K52 WeakPolarHBondContact O-CG 3.22Å; A50-K52 PolarHBondContact O-N 2.94Å
51	I	79.8	Confident	67.8	Low	47 Å²	47	84.1 Å²	84.1	24%	0.241	46%	0.456	C	S	.	.			trans	-58.5	112.9	-179	-70.6	158.7	0	0	0	107.7	E49 V55 L217 L428	E49-I51 PolarHBondContact O-N 2.64Å; E49-I51 VanDerWaalsContact O-N 3.11Å; I51-V55 HydrophobicContact CG2-CG2 3.81Å; I51-L217 HydrophobicContact CD1-CD1 3.78Å; I51-L217 HydrophobicContact CD1-CD2 4.36Å; I51-L217 HydrophobicContact CG1-CD1 4.27Å; I51-L217 HydrophobicContact CG1-CD2 4.44Å; I51-L217 HydrophobicContact CG2-CD1 3.94Å; I51-L428 HydrophobicContact CD1-CB 3.91Å; I51-L428 WeakPolarHBondContact CD1-O 3.5Å
52	K	75.1	Confident	70.6	Confident	185 Å²	185	79 Å²	79	80%	0.804	43%	0.425	S	S	*	.			trans	-91.8	129.5	179.4	-65.5	-176.3	-176.5	173	0	110	A50 N188	A50-K52 WeakPolarHBondContact O-CG 3.22Å; A50-K52 PolarHBondContact O-N 2.94Å; K52-N188 PolarHBondContact O-ND2 3.13Å
53	G	80.2	Confident	73.4	Confident	56 Å²	56	76 Å²	76	58%	0.577	40%	0.403	S	S	*	.	S	Bend	trans	90.6	164.5	176.1	0	0	0	0	0	113.7
54	A	86.6	Confident	76.2	Confident	32 Å²	32	69.9 Å²	69.9	26%	0.264	38%	0.384	S	S	.	.			trans	-57.9	141.1	-177.4	0	0	0	0	0	112.2	L182	A54-L182 HydrophobicContact CB-CD1 3.89Å
55	V	95	Very high	79.4	Confident	10 Å²	10	60.1 Å²	60.1	6%	0.061	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	115.7	171.6	-173.8	0	0	0	0	108.3	I51 N188 V190 L217 A429	I51-V55 HydrophobicContact CG2-CG2 3.81Å; V55-N188 WeakPolarHBondContact CA-O 3.37Å; V55-N188 HydrophobicContact CB-CB 4.47Å; V55-N188 HydrophobicContact CG1-CB 4.43Å; V55-N188 HydrophobicContact CG2-CB 4.02Å; V55-V190 HydrophobicContact CG1-CG2 3.98Å; V55-L217 HydrophobicContact CB-CD1 4.48Å; V55-L217 HydrophobicContact CG1-CD1 3.88Å; V55-L217 HydrophobicContact CG2-CD1 3.72Å; V55-A429 HydrophobicContact CG2-CB 4.32Å
56	V	97.3	Very high	82.4	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	134.7	178.9	-57.4	0	0	0	0	110.3	I58 V67 V69 A178 A186 N188 A189 V190	V56-I58 HydrophobicContact CG2-CD1 3.83Å; V56-I58 HydrophobicContact CG2-CG1 3.98Å; V56-V67 HydrophobicContact CB-CG2 4.4Å; V56-V69 HydrophobicContact CB-CG1 4.47Å; V56-V69 HydrophobicContact CG1-CG1 3.95Å; V56-A178 HydrophobicContact CG1-CB 3.66Å; V56-A186 HydrophobicContact CG1-CB 3.87Å; V56-N188 WeakPolarHBondContact CG2-O 3.45Å; V56-N188 PolarHBondContact N-O 3.32Å; V56-A189 HydrophobicContact CG2-CB 3.67Å; V56-A189 CarbonylContact O-C 2.88Å; V56-A189 VanDerWaalsContact O-CA 3.23Å; V56-A189 WeakPolarHBondContact O-CA 3.33Å; V56-V190 PolarHBondContact O-N 3.43Å
57	G	98.3	Very high	85.3	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.7	170.4	0	0	0	0	0	109.9	V67 A68	G57-V67 CarbonylContact O-C 3.58Å; G57-V67 WeakPolarHBondContact O-CA 3.4Å; G57-A68 PolarHBondContact N-O 2.8Å; G57-A68 PolarHBondContact O-N 2.93Å
58	I	98.7	Very high	88.3	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	119.6	-178.1	-56.5	171.9	0	0	0	109.7	V56 L60 V67 L171 M174 A189 V190 I191 T192 L214	V56-I58 HydrophobicContact CG2-CD1 3.83Å; V56-I58 HydrophobicContact CG2-CG1 3.98Å; I58-L60 PolarHBondContact O-N 3.03Å; I58-V67 HydrophobicContact CG1-CB 4.46Å; I58-V67 HydrophobicContact CG1-CG2 3.97Å; I58-L171 HydrophobicContact CB-CD2 4.43Å; I58-L171 HydrophobicContact CD1-CD2 4.15Å; I58-L171 HydrophobicContact CG2-CD2 3.68Å; I58-M174 HydrophobicContact CD1-CB 4.07Å; I58-M174 HydrophobicContact CG1-CB 4.35Å; I58-M174 HydrophobicContact CG2-CB 4.07Å; I58-M174 HydrophobicContact CG2-CG 3.9Å; I58-A189 HydrophobicContact CD1-CB 4.29Å; I58-V190 PolarHBondContact N-O 2.83Å; I58-I191 WeakPolarHBondContact O-CA 3.48Å; I58-T192 PolarHBondContact O-N 2.7Å; I58-L214 HydrophobicContact CD1-CD1 3.67Å
59	D	98.4	Very high	90.8	Very high	22 Å²	22	35.4 Å²	35.4	12%	0.118	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	104.5	162.2	-178.8	21.7	0	0	0	110.1	G61 S65 C66 T192 V417 A418	D59-G61 PolarHBondContact O-N 3.41Å; D59-S65 CarbonylContact O-C 3.56Å; D59-S65 WeakPolarHBondContact O-CA 3.14Å; D59-S65 WeakPolarHBondContact O-CB 3.37Å; D59-C66 HydrophobicContact CB-CB 4.2Å; D59-C66 PolarHBondContact N-O 2.81Å; D59-C66 PolarHBondContact O-N 2.87Å; D59-T192 VanDerWaalsContact CA-OG1 3.28Å; D59-T192 WeakPolarHBondContact CA-OG1 3.45Å; D59-T192 PolarHBondContact OD1-OG1 3.11Å; D59-V417 HydrophobicContact CB-CB 4.2Å; D59-V417 HydrophobicContact CB-CG1 3.84Å; D59-V417 VanDerWaalsContact CG-CG1 3.47Å; D59-V417 WeakPolarHBondContact OD1-CG1 3.47Å; D59-A418 HydrophobicContact CB-CB 3.89Å
60	L	97.9	Very high	92.7	Very high	8 Å²	8	28.3 Å²	28.3	4%	0.042	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	72.8	176.4	-178.8	61.8	0	0	0	109.5	I58 K121 V170 L171 I191 T192 T205	I58-L60 PolarHBondContact O-N 3.03Å; L60-K121 WeakPolarHBondContact O-CD 3.42Å; L60-K121 WeakPolarHBondContact O-CE 3.39Å; L60-K121 PolarHBondContact O-NZ 3.2Å; L60-V170 HydrophobicContact CD1-CB 4.15Å; L60-V170 HydrophobicContact CD1-CG1 3.94Å; L60-L171 HydrophobicContact CB-CD2 4.27Å; L60-L171 HydrophobicContact CD1-CD2 4.04Å; L60-L171 HydrophobicContact CD1-CG 4.18Å; L60-L171 HydrophobicContact CD2-CD1 4.2Å; L60-L171 HydrophobicContact CD2-CD2 4.2Å; L60-L171 HydrophobicContact CD2-CG 4.21Å; L60-L171 HydrophobicContact CG-CD2 4.39Å; L60-I191 HydrophobicContact CB-CG2 4.05Å; L60-I191 HydrophobicContact CD2-CG2 4.49Å; L60-T192 PolarHBondContact N-OG1 3.21Å; L60-T205 HydrophobicContact CD2-CG2 4.11Å
61	G	96.4	Very high	93.8	Very high	12 Å²	12	28.5 Å²	28.5	12%	0.124	16%	0.162	C	C	.	.			trans	-72	172.4	-178.2	0	0	0	0	0	115.6	D59 N64 S89	D59-G61 PolarHBondContact O-N 3.41Å; G61-N64 CarbonylContact C-O 3.56Å; G61-N64 WeakPolarHBondContact CA-O 3.29Å; G61-N64 PolarHBondContact N-O 3.5Å; G61-S89 PolarHBondContact O-OG 3.35Å; G61-S89 VanDerWaalsContact O-OG 3.12Å
62	T	96.9	Very high	94.1	Very high	7 Å²	7	29.1 Å²	29.1	4%	0.043	18%	0.18	C	C	.	.	S	Bend	trans	-72	-40.9	177.6	-60.6	0	0	0	0	112.3	A119 R122	T62-A119 HydrophobicContact CG2-CB 3.84Å; T62-R122 HydrophobicContact CG2-CG 4.12Å
63	T	97.1	Very high	94.6	Very high	27 Å²	27	28.5 Å²	28.5	17%	0.166	18%	0.177	C	C	.	.	S	Bend	trans	-108.3	-40.9	-175.3	-54.2	0	0	0	0	111.6	P88 S89 G247 E276	T63-P88 CarbonylContact O-C 3.58Å; T63-P88 WeakPolarHBondContact O-CA 3.35Å; T63-S89 PolarHBondContact O-N 3.2Å; T63-G247 WeakPolarHBondContact OG1-CA 3.23Å; T63-E276 PolarHBondContact OG1-OE1 2.95Å
64	N	97.9	Very high	95	Very high	63 Å²	63	33.2 Å²	33.2	34%	0.337	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	149.5	177.8	-60.9	-59.7	0	0	0	109.7	G61 T87 S89	G61-N64 CarbonylContact C-O 3.56Å; G61-N64 WeakPolarHBondContact CA-O 3.29Å; G61-N64 PolarHBondContact N-O 3.5Å; N64-T87 CarbonylContact C-O 3.49Å; N64-T87 WeakPolarHBondContact CA-O 3.49Å; N64-S89 WeakPolarHBondContact CA-OG 3.46Å; N64-S89 PolarHBondContact N-OG 2.87Å
65	S	98.6	Very high	95.4	Very high	1 Å²	1	33 Å²	33	1%	0.007	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	149.1	172	-61.6	0	0	0	0	110.2	D59 T86 T87 S89 V170	D59-S65 CarbonylContact O-C 3.56Å; D59-S65 WeakPolarHBondContact O-CA 3.14Å; D59-S65 WeakPolarHBondContact O-CB 3.37Å; S65-T86 CarbonylContact O-C 3.55Å; S65-T86 WeakPolarHBondContact O-CA 3.34Å; S65-T87 PolarHBondContact N-O 2.71Å; S65-T87 PolarHBondContact O-N 3.04Å; S65-S89 PolarHBondContact N-OG 3.21Å; S65-S89 PolarHBondContact OG-OG 2.8Å; S65-V170 WeakPolarHBondContact OG-CG1 3.37Å
66	C	98.6	Very high	95.5	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.014	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.1	-176.9	-177	0	0	0	0	109.2	D59 V77 R85 T86 A418	D59-C66 HydrophobicContact CB-CB 4.2Å; D59-C66 PolarHBondContact N-O 2.81Å; D59-C66 PolarHBondContact O-N 2.87Å; C66-V77 WeakPolarHBondContact SG-CG1 3.32Å; C66-R85 PolarHBondContact SG-O 2.78Å; C66-T86 HydrophobicContact CB-CG2 4.36Å; C66-A418 HydrophobicContact CB-CB 3.79Å; C66-A418 VanDerWaalsContact SG-CB 3.53Å
67	V	98.6	Very high	95.5	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	138.2	178.9	60	0	0	0	0	110.3	V56 G57 I58 V77 L78 M174 T177 A178	V56-V67 HydrophobicContact CB-CG2 4.4Å; G57-V67 CarbonylContact O-C 3.58Å; G57-V67 WeakPolarHBondContact O-CA 3.4Å; I58-V67 HydrophobicContact CG1-CB 4.46Å; I58-V67 HydrophobicContact CG1-CG2 3.97Å; V67-V77 WeakPolarHBondContact O-CA 3.34Å; V67-L78 HydrophobicContact CG1-CB 4.22Å; V67-L78 PolarHBondContact O-N 2.87Å; V67-M174 HydrophobicContact CB-CB 4.25Å; V67-M174 HydrophobicContact CB-SD 4.13Å; V67-M174 HydrophobicContact CG1-SD 4.12Å; V67-T177 HydrophobicContact CG1-CG2 3.78Å; V67-A178 HydrophobicContact CG2-CB 4.25Å
68	A	98.3	Very high	95.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	158	178	0	0	0	0	0	111.4	G57 K76 V77 A418 A422	G57-A68 PolarHBondContact N-O 2.8Å; G57-A68 PolarHBondContact O-N 2.93Å; A68-K76 CarbonylContact C-O 3.57Å; A68-K76 WeakPolarHBondContact CA-O 3.49Å; A68-K76 WeakPolarHBondContact CB-O 2.97Å; A68-V77 HydrophobicContact CB-CG2 3.98Å; A68-A418 HydrophobicContact CB-CB 4.18Å; A68-A422 HydrophobicContact CB-CB 3.82Å
69	V	96.9	Very high	95.5	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	159.4	176.4	-64.1	0	0	0	0	110.2	V56 E71 A75 K76 L78 Y181 L182	V56-V69 HydrophobicContact CB-CG1 4.47Å; V56-V69 HydrophobicContact CG1-CG1 3.95Å; V69-E71 HydrophobicContact CG2-CG 4.49Å; V69-A75 CarbonylContact O-C 3.57Å; V69-A75 WeakPolarHBondContact O-CA 3.43Å; V69-K76 PolarHBondContact N-O 2.95Å; V69-K76 PolarHBondContact O-N 3.44Å; V69-L78 HydrophobicContact CG1-CD1 3.94Å; V69-L78 HydrophobicContact CG2-CD1 4.25Å; V69-L78 HydrophobicContact CG2-CD2 3.91Å; V69-L78 HydrophobicContact CG2-CG 4.34Å; V69-Y181 HydrophobicContact CG2-CD1 4.36Å; V69-Y181 HydrophobicContact CG2-CE1 4.28Å; V69-L182 HydrophobicContact CG1-CD1 4.5Å
70	M	94	Very high	95.3	Very high	33 Å²	33	42 Å²	42	16%	0.163	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	124.6	169.3	-66.3	-60.5	-64	0	0	110.1	A75 A422 I423 V432	M70-A75 HydrophobicContact SD-CB 3.72Å; M70-A422 HydrophobicContact CG-CB 4.45Å; M70-A422 WeakPolarHBondContact CG-O 3.41Å; M70-A422 HydrophobicContact SD-CB 4.31Å; M70-I423 HydrophobicContact SD-CG1 4.12Å; M70-V432 HydrophobicContact CE-CG2 3.86Å
71	E	89.8	Confident	95.1	Very high	88 Å²	88	45.1 Å²	45.1	41%	0.411	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	93.1	166.6	-65.8	-164.3	143.5	0	0	108.8	V69 K73 Q74 K76 Y181	V69-E71 HydrophobicContact CG2-CG 4.49Å; E71-K73 PolarHBondContact O-N 2.92Å; E71-Q74 PolarHBondContact N-O 3.36Å; E71-Q74 PolarHBondContact O-N 2.96Å; E71-Q74 VanDerWaalsContact O-N 3.11Å; E71-K76 HydrophobicContact CG-CB 4.41Å; E71-K76 HydrophobicContact CG-CD 4.45Å; E71-K76 WeakPolarHBondContact OE2-CD 3.31Å; E71-K76 IonicContact OE2-NZ 3.46Å; E71-Y181 VanDerWaalsContact OE1-CE1 3.25Å; E71-Y181 WeakPolarHBondContact OE1-CE1 3.46Å; E71-Y181 VanDerWaalsContact OE1-CZ 3.27Å; E71-Y181 PolarHBondContact OE1-OH 2.94Å
72	G	86.5	Confident	94.9	Very high	59 Å²	59	48 Å²	48	61%	0.608	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	-112.1	-168.4	0	0	0	0	0	110.3
73	K	84.3	Confident	94.8	Very high	173 Å²	173	50.1 Å²	50.1	75%	0.752	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-8.5	179.5	-65.4	-169.8	176	-169.4	0	114.3	E71	E71-K73 PolarHBondContact O-N 2.92Å
74	Q	89.8	Confident	94.7	Very high	154 Å²	154	50.5 Å²	50.5	72%	0.72	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	131.7	-176.6	-68.2	-172.5	-2.4	0	0	110.7	E71	E71-Q74 PolarHBondContact N-O 3.36Å; E71-Q74 PolarHBondContact O-N 2.96Å; E71-Q74 VanDerWaalsContact O-N 3.11Å
75	A	94.3	Very high	94.7	Very high	28 Å²	28	51.9 Å²	51.9	23%	0.231	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	133.8	170.6	0	0	0	0	0	110.2	V69 M70 I419 A422 I423	V69-A75 CarbonylContact O-C 3.57Å; V69-A75 WeakPolarHBondContact O-CA 3.43Å; M70-A75 HydrophobicContact SD-CB 3.72Å; A75-I419 HydrophobicContact CB-CB 4.49Å; A75-I419 HydrophobicContact CB-CG2 3.78Å; A75-A422 HydrophobicContact CB-CB 4.28Å; A75-I423 HydrophobicContact CB-CG1 4.01Å
76	K	95.9	Very high	94.7	Very high	81 Å²	81	53.8 Å²	53.8	35%	0.352	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	123	-178.6	-176.9	174.4	-176	174.3	0	110.9	A68 V69 E71 L78 Y181	A68-K76 CarbonylContact C-O 3.57Å; A68-K76 WeakPolarHBondContact CA-O 3.49Å; A68-K76 WeakPolarHBondContact CB-O 2.97Å; V69-K76 PolarHBondContact N-O 2.95Å; V69-K76 PolarHBondContact O-N 3.44Å; E71-K76 HydrophobicContact CG-CB 4.41Å; E71-K76 HydrophobicContact CG-CD 4.45Å; E71-K76 WeakPolarHBondContact OE2-CD 3.31Å; E71-K76 IonicContact OE2-NZ 3.46Å; K76-L78 HydrophobicContact CG-CD2 4.42Å; K76-Y181 WeakPolarHBondContact CE-OH 3.49Å; K76-Y181 PolarHBondContact NZ-OH 3.41Å
77	V	98.1	Very high	94.7	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	138.3	169.1	167.9	0	0	0	0	110	C66 V67 A68 R85 E415 I419	C66-V77 WeakPolarHBondContact SG-CG1 3.32Å; V67-V77 WeakPolarHBondContact O-CA 3.34Å; A68-V77 HydrophobicContact CB-CG2 3.98Å; V77-R85 HydrophobicContact CG1-CB 3.98Å; V77-R85 HydrophobicContact CG1-CG 4.49Å; V77-R85 PolarHBondContact O-NH1 3.23Å; V77-E415 HydrophobicContact CG1-CG 4.35Å; V77-E415 HydrophobicContact CG2-CB 4.03Å; V77-E415 HydrophobicContact CG2-CG 4.18Å; V77-I419 HydrophobicContact CG2-CD1 4.14Å; V77-I419 HydrophobicContact CG2-CG1 3.65Å
78	L	98.3	Very high	94.7	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.021	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-101.2	146.2	-174.2	-52.6	-177.5	0	0	0	111.7	V67 V69 K76 T177 A178 Y181	V67-L78 HydrophobicContact CG1-CB 4.22Å; V67-L78 PolarHBondContact O-N 2.87Å; V69-L78 HydrophobicContact CG1-CD1 3.94Å; V69-L78 HydrophobicContact CG2-CD1 4.25Å; V69-L78 HydrophobicContact CG2-CD2 3.91Å; V69-L78 HydrophobicContact CG2-CG 4.34Å; K76-L78 HydrophobicContact CG-CD2 4.42Å; L78-T177 HydrophobicContact CB-CG2 4.09Å; L78-A178 HydrophobicContact CD1-CB 4.09Å; L78-Y181 HydrophobicContact CD1-CD1 4.1Å; L78-Y181 HydrophobicContact CD1-CG 4.04Å; L78-Y181 HydrophobicContact CD2-CD1 3.52Å; L78-Y181 HydrophobicContact CD2-CD2 3.81Å; L78-Y181 HydrophobicContact CD2-CE1 3.77Å; L78-Y181 HydrophobicContact CD2-CE2 4.04Å; L78-Y181 HydrophobicContact CD2-CG 3.56Å; L78-Y181 HydrophobicContact CG-CD1 4.47Å; L78-Y181 HydrophobicContact CG-CG 4.36Å
79	E	98	Very high	94.7	Very high	122 Å²	122	54.2 Å²	54.2	57%	0.57	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-84.9	136.9	171.4	-69.6	172.1	-169.9	0	0	110	A84 R85 T177	E79-A84 WeakPolarHBondContact CA-O 3.32Å; E79-R85 HydrophobicContact CG-CG 3.79Å; E79-T177 VanDerWaalsContact O-CG2 3.31Å; E79-T177 WeakPolarHBondContact O-CG2 3.39Å
80	N	96.1	Very high	94.7	Very high	11 Å²	11	54.7 Å²	54.7	6%	0.059	31%	0.307	C	S	.	.			trans	-73.1	175.4	172.7	66	18.6	0	0	0	111.6	E82 G83 A84 T87 T177	N80-E82 PolarHBondContact ND2-OE2 3.42Å; N80-E82 PolarHBondContact O-N 2.83Å; N80-E82 WeakPolarHBondContact OD1-CA 3.49Å; N80-E82 WeakPolarHBondContact OD1-CB 3.24Å; N80-E82 PolarHBondContact OD1-N 3.28Å; N80-E82 PolarHBondContact OD1-OE2 2.96Å; N80-G83 PolarHBondContact O-N 2.97Å; N80-G83 PolarHBondContact OD1-N 2.8Å; N80-G83 VanDerWaalsContact OD1-N 3.1Å; N80-A84 PolarHBondContact N-O 2.62Å; N80-A84 PolarHBondContact ND2-O 3.11Å; N80-A84 PolarHBondContact OD1-N 2.77Å; N80-A84 PolarHBondContact OD1-O 3.42Å; N80-T87 PolarHBondContact ND2-OG1 2.84Å; N80-T177 HydrophobicContact CB-CG2 4.38Å
81	A	91.9	Very high	94.9	Very high	74 Å²	74	53.1 Å²	53.1	61%	0.612	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.4	178.6	0	0	0	0	0	113.5	G83	A81-G83 VanDerWaalsContact C-N 3.35Å
82	E	92.6	Very high	95.3	Very high	73 Å²	73	49 Å²	49	34%	0.341	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	3.7	177.1	-56.9	77	-160.6	0	0	113.2	N80 M103 K173	N80-E82 PolarHBondContact ND2-OE2 3.42Å; N80-E82 PolarHBondContact O-N 2.83Å; N80-E82 WeakPolarHBondContact OD1-CA 3.49Å; N80-E82 WeakPolarHBondContact OD1-CB 3.24Å; N80-E82 PolarHBondContact OD1-N 3.28Å; N80-E82 PolarHBondContact OD1-OE2 2.96Å; E82-M103 HydrophobicContact CG-CB 4.46Å; E82-K173 IonicContact OE1-NZ 2.66Å; E82-K173 PolarHBondContact OE1-NZ 3.31Å; E82-K173 IonicContact OE2-NZ 3.48Å
83	G	94.3	Very high	95.8	Very high	52 Å²	52	46.7 Å²	46.7	54%	0.536	25%	0.253	S	S	.	.	S	Bend	trans	78.5	14.6	178.3	0	0	0	0	0	114.8	N80 A81	N80-G83 PolarHBondContact O-N 2.97Å; N80-G83 PolarHBondContact OD1-N 2.8Å; N80-G83 VanDerWaalsContact OD1-N 3.1Å; A81-G83 VanDerWaalsContact C-N 3.35Å
84	A	97	Very high	96.2	Very high	35 Å²	35	39.6 Å²	39.6	29%	0.289	22%	0.224	S	C	.	.			trans	-105.7	142.6	178.7	0	0	0	0	0	111.5	E79 N80 T86	E79-A84 WeakPolarHBondContact CA-O 3.32Å; N80-A84 PolarHBondContact N-O 2.62Å; N80-A84 PolarHBondContact ND2-O 3.11Å; N80-A84 PolarHBondContact OD1-N 2.77Å; N80-A84 PolarHBondContact OD1-O 3.42Å; A84-T86 VanDerWaalsContact C-N 3.25Å; A84-T86 PolarHBondContact O-N 3.15Å
85	R	97.3	Very high	96.2	Very high	91 Å²	91	36.4 Å²	36.4	34%	0.343	22%	0.224	S	C	.	.	S	Bend	trans	-76.5	-13.1	178.2	-64	174.6	68.3	79.9	-9.9	113.6	C66 V77 E79 E415	C66-R85 PolarHBondContact SG-O 2.78Å; V77-R85 HydrophobicContact CG1-CB 3.98Å; V77-R85 HydrophobicContact CG1-CG 4.49Å; V77-R85 PolarHBondContact O-NH1 3.23Å; E79-R85 HydrophobicContact CG-CG 3.79Å; R85-E415 IonicContact CZ-OE1 2.59Å; R85-E415 IonicContact CZ-OE2 3.16Å; R85-E415 VanDerWaalsContact NE-CD 3.33Å; R85-E415 IonicContact NE-OE1 3.17Å; R85-E415 PolarHBondContact NE-OE1 3.19Å; R85-E415 IonicContact NE-OE2 3.8Å; R85-E415 PolarHBondContact NE-OE2 2.83Å; R85-E415 IonicContact NH2-OE1 2.75Å; R85-E415 IonicContact NH2-OE2 2.72Å; R85-E415 PolarHBondContact NH2-OE2 3.36Å
86	T	97.9	Very high	95.7	Very high	41 Å²	41	42.3 Å²	42.3	25%	0.252	25%	0.252	S	S	.	.	S	Bend	trans	-129.7	145.7	174.9	63.2	0	0	0	0	109.8	S65 C66 A84	S65-T86 CarbonylContact O-C 3.55Å; S65-T86 WeakPolarHBondContact O-CA 3.34Å; C66-T86 HydrophobicContact CB-CG2 4.36Å; A84-T86 VanDerWaalsContact C-N 3.25Å; A84-T86 PolarHBondContact O-N 3.15Å
87	T	98.4	Very high	95	Very high	3 Å²	3	41 Å²	41	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129	178	-64.7	0	0	0	0	109.9	N64 S65 N80 S89 K173 M174	N64-T87 CarbonylContact C-O 3.49Å; N64-T87 WeakPolarHBondContact CA-O 3.49Å; S65-T87 PolarHBondContact N-O 2.71Å; S65-T87 PolarHBondContact O-N 3.04Å; N80-T87 PolarHBondContact ND2-OG1 2.84Å; T87-S89 PolarHBondContact O-N 3.42Å; T87-K173 HydrophobicContact CG2-CG 4.2Å; T87-M174 HydrophobicContact CG2-CE 3.8Å; T87-M174 WeakPolarHBondContact OG1-CE 3.44Å
88	P	98.3	Very high	94.5	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.032	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55	132.4	173.7	-26	34.4	0	0	0	111.7	T63 V90 G102 M103 K106	T63-P88 CarbonylContact O-C 3.58Å; T63-P88 WeakPolarHBondContact O-CA 3.35Å; P88-V90 HydrophobicContact CB-CB 4.4Å; P88-V90 HydrophobicContact CB-CG2 3.84Å; P88-V90 PolarHBondContact O-N 3.26Å; P88-G102 VanDerWaalsContact O-CA 3.32Å; P88-G102 WeakPolarHBondContact O-CA 3.29Å; P88-M103 HydrophobicContact CG-CE 4.06Å; P88-K106 HydrophobicContact CB-CB 4.42Å; P88-K106 HydrophobicContact CB-CD 4.21Å; P88-K106 HydrophobicContact CG-CD 4.19Å
89	S	98.4	Very high	94.2	Very high	7 Å²	7	45.7 Å²	45.7	5%	0.049	28%	0.282	C	S	.	.			trans	-80	57.8	176.9	-48.8	0	0	0	0	110	G61 T63 N64 S65 T87	G61-S89 PolarHBondContact O-OG 3.35Å; G61-S89 VanDerWaalsContact O-OG 3.12Å; T63-S89 PolarHBondContact O-N 3.2Å; N64-S89 WeakPolarHBondContact CA-OG 3.46Å; N64-S89 PolarHBondContact N-OG 2.87Å; S65-S89 PolarHBondContact N-OG 3.21Å; S65-S89 PolarHBondContact OG-OG 2.8Å; T87-S89 PolarHBondContact O-N 3.42Å
90	V	98.4	Very high	94.1	Very high	13 Å²	13	41.4 Å²	41.4	8%	0.079	26%	0.263	C	S	.	.			trans	-123.6	132.5	-174.2	-173.5	0	0	0	0	108.8	P88 V101 G102 A105 K106 T116 F117	P88-V90 HydrophobicContact CB-CB 4.4Å; P88-V90 HydrophobicContact CB-CG2 3.84Å; P88-V90 PolarHBondContact O-N 3.26Å; V90-V101 WeakPolarHBondContact O-CA 3.41Å; V90-G102 PolarHBondContact O-N 3.07Å; V90-A105 HydrophobicContact CB-CB 4.23Å; V90-A105 HydrophobicContact CG1-CB 3.85Å; V90-A105 WeakPolarHBondContact O-CB 3.34Å; V90-K106 HydrophobicContact CG2-CB 4.37Å; V90-T116 HydrophobicContact CG1-CG2 3.55Å; V90-F117 CarbonylContact C-O 3.42Å; V90-F117 VanDerWaalsContact CA-O 3.31Å; V90-F117 WeakPolarHBondContact CA-O 3.32Å
91	V	98.3	Very high	94.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.4	176.9	-178.4	0	0	0	0	108.9	F93 R99 L100 V101 T116 F117 I166 F169 V170	V91-F93 HydrophobicContact CG1-CE2 4.07Å; V91-F93 HydrophobicContact CG1-CZ 4.26Å; V91-R99 HydrophobicContact CG1-CG 4.12Å; V91-L100 CarbonylContact C-O 3.58Å; V91-L100 VanDerWaalsContact CA-O 3.31Å; V91-L100 WeakPolarHBondContact CA-O 3.39Å; V91-V101 HydrophobicContact CG1-CG2 4.46Å; V91-V101 HydrophobicContact CG2-CG1 4.46Å; V91-V101 HydrophobicContact CG2-CG2 4.34Å; V91-T116 CarbonylContact O-C 3.54Å; V91-F117 PolarHBondContact N-O 2.88Å; V91-F117 PolarHBondContact O-N 3.25Å; V91-I166 HydrophobicContact CB-CG2 4.11Å; V91-I166 HydrophobicContact CG2-CG2 3.82Å; V91-F169 HydrophobicContact CG1-CB 4.35Å; V91-F169 HydrophobicContact CG1-CD2 3.95Å; V91-F169 HydrophobicContact CG2-CB 3.97Å; V91-V170 HydrophobicContact CG2-CG2 3.9Å
92	A	97.8	Very high	94.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	149	175.8	0	0	0	0	0	111.9	R99 L100 A105 N115 T116	A92-R99 CarbonylContact O-C 3.58Å; A92-R99 WeakPolarHBondContact O-CA 3.47Å; A92-L100 HydrophobicContact CB-CB 4.34Å; A92-L100 PolarHBondContact N-O 3.17Å; A92-L100 PolarHBondContact O-N 2.55Å; A92-A105 HydrophobicContact CB-CB 3.9Å; A92-N115 VanDerWaalsContact CA-O 3.3Å; A92-N115 WeakPolarHBondContact CA-O 3.44Å; A92-T116 HydrophobicContact CB-CG2 4.08Å
93	F	96.1	Very high	94.6	Very high	12 Å²	12	37.8 Å²	37.8	5%	0.053	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	117.6	170.8	-63.2	-85.7	0	0	0	109.6	V91 E98 R99 N112 N115 F117 A156 H157 Y161 I166 F169	V91-F93 HydrophobicContact CG1-CE2 4.07Å; V91-F93 HydrophobicContact CG1-CZ 4.26Å; F93-E98 CarbonylContact C-O 3.52Å; F93-E98 WeakPolarHBondContact CA-O 3.26Å; F93-R99 HydrophobicContact CD1-CB 4.2Å; F93-R99 HydrophobicContact CD1-CG 4.46Å; F93-R99 HydrophobicContact CE1-CB 4Å; F93-R99 HydrophobicContact CE1-CG 3.94Å; F93-R99 HydrophobicContact CZ-CG 4.37Å; F93-N112 PolarHBondContact O-ND2 3.3Å; F93-N115 PolarHBondContact N-O 3.3Å; F93-N115 WeakPolarHBondContact O-CB 3.48Å; F93-F117 HydrophobicContact CD2-CD2 4.11Å; F93-F117 AromaticContact CD2-CE2 3.6Å; F93-F117 HydrophobicContact CD2-CE2 3.6Å; F93-F117 AromaticContact CE2-CD2 3.93Å; F93-F117 HydrophobicContact CE2-CD2 3.93Å; F93-F117 AromaticContact CE2-CE2 3.61Å; F93-F117 HydrophobicContact CE2-CE2 3.61Å; F93-A156 HydrophobicContact CB-CB 4.18Å; F93-A156 HydrophobicContact CD2-CB 3.72Å; F93-A156 HydrophobicContact CE2-CB 4.48Å; F93-A156 HydrophobicContact CG-CB 4.19Å; F93-H157 PolarHBondContact O-NE2 3.48Å; F93-H157 VanDerWaalsContact O-NE2 3.08Å; F93-Y161 HydrophobicContact CD2-CE2 4.4Å; F93-Y161 HydrophobicContact CE1-CE1 4.09Å; F93-Y161 AromaticContact CE1-CZ 3.84Å; F93-Y161 HydrophobicContact CE2-CD2 4.22Å; F93-Y161 HydrophobicContact CE2-CE1 4.37Å; F93-Y161 HydrophobicContact CE2-CE2 4Å; F93-Y161 HydrophobicContact CZ-CD1 4.14Å; F93-Y161 HydrophobicContact CZ-CD2 4.45Å; F93-Y161 AromaticContact CZ-CE1 3.68Å; F93-Y161 HydrophobicContact CZ-CE1 3.68Å; F93-Y161 HydrophobicContact CZ-CE2 4.05Å; F93-Y161 HydrophobicContact CZ-CG 4.5Å; F93-Y161 AromaticContact CZ-CZ 3.64Å; F93-I166 HydrophobicContact CE2-CD1 4.22Å; F93-F169 HydrophobicContact CZ-CD2 4.22Å; F93-F169 AromaticContact CZ-CE2 3.7Å; F93-F169 HydrophobicContact CZ-CE2 3.7Å; F93-F169 HydrophobicContact CZ-CZ 4.46Å
94	T	93	Very high	94.6	Very high	23 Å²	23	37.5 Å²	37.5	14%	0.141	22%	0.224	C	C	.	.			trans	-71.7	165.6	177.4	74.4	0	0	0	0	110.6	D96 G97 E98 L100 H157	T94-D96 PolarHBondContact O-N 2.87Å; T94-D96 PolarHBondContact OG1-N 3.17Å; T94-G97 PolarHBondContact O-N 3.5Å; T94-E98 HydrophobicContact CG2-CB 3.99Å; T94-E98 PolarHBondContact N-O 2.82Å; T94-E98 VanDerWaalsContact OG1-CB 3.24Å; T94-E98 WeakPolarHBondContact OG1-CB 3.49Å; T94-E98 PolarHBondContact OG1-N 3.01Å; T94-E98 VanDerWaalsContact OG1-N 3.08Å; T94-L100 HydrophobicContact CG2-CD1 3.84Å; T94-L100 HydrophobicContact CG2-CG 4.09Å; T94-H157 PolarHBondContact O-NE2 3.29Å; T94-H157 VanDerWaalsContact O-NE2 3.16Å
95	A	88.9	Confident	94.6	Very high	87 Å²	87	35.9 Å²	35.9	72%	0.719	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-30	175.9	0	0	0	0	0	112.5	G97	A95-G97 PolarHBondContact O-N 3.41Å
96	D	83.5	Confident	94.6	Very high	153 Å²	153	34.2 Å²	34.2	82%	0.818	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	4.9	179.6	-51	-33.5	0	0	0	112.5	T94 E98	T94-D96 PolarHBondContact O-N 2.87Å; T94-D96 PolarHBondContact OG1-N 3.17Å; D96-E98 VanDerWaalsContact C-N 3.33Å
97	G	81.4	Confident	94.4	Very high	52 Å²	52	41.2 Å²	41.2	54%	0.536	23%	0.227	S	C	.	.	S	Bend	trans	78.8	12.3	179.7	0	0	0	0	0	114.4	T94 A95	T94-G97 PolarHBondContact O-N 3.5Å; A95-G97 PolarHBondContact O-N 3.41Å
98	E	87.9	Confident	94.2	Very high	79 Å²	79	42.6 Å²	42.6	37%	0.369	23%	0.233	S	C	.	.			trans	-73.2	138.4	173.1	-171.7	-175	-170.7	0	0	110.8	F93 T94 D96 L100	F93-E98 CarbonylContact C-O 3.52Å; F93-E98 WeakPolarHBondContact CA-O 3.26Å; T94-E98 HydrophobicContact CG2-CB 3.99Å; T94-E98 PolarHBondContact N-O 2.82Å; T94-E98 VanDerWaalsContact OG1-CB 3.24Å; T94-E98 WeakPolarHBondContact OG1-CB 3.49Å; T94-E98 PolarHBondContact OG1-N 3.01Å; T94-E98 VanDerWaalsContact OG1-N 3.08Å; D96-E98 VanDerWaalsContact C-N 3.33Å; E98-L100 HydrophobicContact CG-CD2 4.24Å
99	R	93.4	Very high	94	Very high	27 Å²	27	42.6 Å²	42.6	10%	0.102	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.2	175.2	179.9	-177.3	60.8	-157.7	-2.5	109.6	V91 A92 F93 V101 D572	V91-R99 HydrophobicContact CG1-CG 4.12Å; A92-R99 CarbonylContact O-C 3.58Å; A92-R99 WeakPolarHBondContact O-CA 3.47Å; F93-R99 HydrophobicContact CD1-CB 4.2Å; F93-R99 HydrophobicContact CD1-CG 4.46Å; F93-R99 HydrophobicContact CE1-CB 4Å; F93-R99 HydrophobicContact CE1-CG 3.94Å; F93-R99 HydrophobicContact CZ-CG 4.37Å; R99-V101 HydrophobicContact CG-CG2 4.29Å; R99-D572 IonicContact CZ-OD2 2.74Å; R99-D572 IonicContact NE-OD2 3.57Å; R99-D572 IonicContact NH2-OD2 2.79Å; R99-D572 PolarHBondContact NH2-OD2 3.01Å
100	L	95.3	Very high	93.7	Very high	32 Å²	32	43.7 Å²	43.7	17%	0.168	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	142	173.1	-55.9	176.4	0	0	0	109.4	V91 A92 T94 E98 P104 A105 Q108	V91-L100 CarbonylContact C-O 3.58Å; V91-L100 VanDerWaalsContact CA-O 3.31Å; V91-L100 WeakPolarHBondContact CA-O 3.39Å; A92-L100 HydrophobicContact CB-CB 4.34Å; A92-L100 PolarHBondContact N-O 3.17Å; A92-L100 PolarHBondContact O-N 2.55Å; T94-L100 HydrophobicContact CG2-CD1 3.84Å; T94-L100 HydrophobicContact CG2-CG 4.09Å; E98-L100 HydrophobicContact CG-CD2 4.24Å; L100-P104 HydrophobicContact CB-CB 4.45Å; L100-P104 HydrophobicContact CD2-CB 4.48Å; L100-A105 HydrophobicContact CB-CB 3.96Å; L100-Q108 HydrophobicContact CD1-CG 3.81Å
101	V	97.1	Very high	93.4	Very high	20 Å²	20	48 Å²	48	12%	0.121	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	141	177.6	-176	0	0	0	0	109.5	V90 V91 R99 P104 F169 V170 K173	V90-V101 WeakPolarHBondContact O-CA 3.41Å; V91-V101 HydrophobicContact CG1-CG2 4.46Å; V91-V101 HydrophobicContact CG2-CG1 4.46Å; V91-V101 HydrophobicContact CG2-CG2 4.34Å; R99-V101 HydrophobicContact CG-CG2 4.29Å; V101-P104 WeakPolarHBondContact O-CD 3.45Å; V101-F169 HydrophobicContact CG2-CB 4.16Å; V101-V170 HydrophobicContact CG1-CG2 4.38Å; V101-K173 HydrophobicContact CB-CB 4.48Å; V101-K173 HydrophobicContact CG1-CB 3.88Å; V101-K173 HydrophobicContact CG1-CG 4.32Å
102	G	97.4	Very high	93.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	83.4	-139.4	175.2	0	0	0	0	0	113.7	P88 V90 A105 K106	P88-G102 VanDerWaalsContact O-CA 3.32Å; P88-G102 WeakPolarHBondContact O-CA 3.29Å; V90-G102 PolarHBondContact O-N 3.07Å; G102-A105 PolarHBondContact O-N 3.04Å; G102-K106 PolarHBondContact O-N 2.87Å
103	M	96.1	Very high	93.1	Very high	62 Å²	62	49.7 Å²	49.7	31%	0.305	28%	0.276	S	S	.	.	H	α-helix	trans	-60	-42	-177.5	-171.5	60.8	65.9	0	0	113.5	E82 P88 A105 K106 R107	E82-M103 HydrophobicContact CG-CB 4.46Å; P88-M103 HydrophobicContact CG-CE 4.06Å; M103-A105 VanDerWaalsContact C-N 3.31Å; M103-A105 PolarHBondContact O-N 3.22Å; M103-K106 PolarHBondContact O-N 3.39Å; M103-R107 HydrophobicContact CG-CG 4.41Å; M103-R107 WeakPolarHBondContact O-CG 3.46Å; M103-R107 PolarHBondContact O-N 3.14Å; M103-R107 HydrophobicContact SD-CG 4.36Å
104	P	95.1	Very high	93	Very high	46 Å²	46	52.6 Å²	52.6	30%	0.299	29%	0.292	S	S	.	.	H	α-helix	trans	-56	-43.1	173.5	-26.9	35.7	0	0	0	113.2	L100 V101 R107 Q108	L100-P104 HydrophobicContact CB-CB 4.45Å; L100-P104 HydrophobicContact CD2-CB 4.48Å; V101-P104 WeakPolarHBondContact O-CD 3.45Å; P104-R107 PolarHBondContact O-N 3.38Å; P104-Q108 WeakPolarHBondContact O-CG 3.34Å
105	A	97.1	Very high	93.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-66.1	-43.6	176.7	0	0	0	0	0	111.8	V90 A92 L100 G102 M103 R107 Q108 A109	V90-A105 HydrophobicContact CB-CB 4.23Å; V90-A105 HydrophobicContact CG1-CB 3.85Å; V90-A105 WeakPolarHBondContact O-CB 3.34Å; A92-A105 HydrophobicContact CB-CB 3.9Å; L100-A105 HydrophobicContact CB-CB 3.96Å; G102-A105 PolarHBondContact O-N 3.04Å; M103-A105 VanDerWaalsContact C-N 3.31Å; M103-A105 PolarHBondContact O-N 3.22Å; A105-R107 VanDerWaalsContact C-N 3.35Å; A105-R107 PolarHBondContact O-N 3.41Å; A105-Q108 PolarHBondContact O-N 2.89Å; A105-Q108 PolarHBondContact O-NE2 3.11Å; A105-A109 PolarHBondContact O-N 2.99Å
106	K	95.8	Very high	93.6	Very high	57 Å²	57	48.5 Å²	48.5	25%	0.248	26%	0.257	C	S	.	.	H	α-helix	trans	-60.6	-41.7	177.5	-171.5	166.7	-176.6	165.4	0	111.9	P88 V90 G102 M103 Q108 A109 E313	P88-K106 HydrophobicContact CB-CB 4.42Å; P88-K106 HydrophobicContact CB-CD 4.21Å; P88-K106 HydrophobicContact CG-CD 4.19Å; V90-K106 HydrophobicContact CG2-CB 4.37Å; G102-K106 PolarHBondContact O-N 2.87Å; M103-K106 PolarHBondContact O-N 3.39Å; K106-Q108 PolarHBondContact O-N 2.82Å; K106-A109 VanDerWaalsContact O-CB 3.29Å; K106-A109 WeakPolarHBondContact O-CB 3.38Å; K106-A109 PolarHBondContact O-N 3.45Å; K106-E313 IonicContact NZ-OE1 3.85Å; K106-E313 PolarHBondContact NZ-OE1 2.94Å; K106-E313 VanDerWaalsContact NZ-OE1 3.12Å; K106-E313 IonicContact NZ-OE2 2.83Å; K106-E313 PolarHBondContact NZ-OE2 3.42Å
107	R	94.5	Very high	94.3	Very high	187 Å²	187	41.2 Å²	41.2	71%	0.706	22%	0.218	S	C	*	.	H	α-helix	trans	-62.3	-37.4	-177.8	-75	175.5	-175.4	168.7	3.6	114.1	M103 P104 A105	M103-R107 HydrophobicContact CG-CG 4.41Å; M103-R107 WeakPolarHBondContact O-CG 3.46Å; M103-R107 PolarHBondContact O-N 3.14Å; M103-R107 HydrophobicContact SD-CG 4.36Å; P104-R107 PolarHBondContact O-N 3.38Å; A105-R107 VanDerWaalsContact C-N 3.35Å; A105-R107 PolarHBondContact O-N 3.41Å
108	Q	94.3	Very high	95	Very high	33 Å²	33	39.8 Å²	39.8	15%	0.154	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	0.6	-177.8	63.6	74.2	72.7	0	0	114	L100 P104 A105 K106 V110 T111 N112 T116	L100-Q108 HydrophobicContact CD1-CG 3.81Å; P104-Q108 WeakPolarHBondContact O-CG 3.34Å; A105-Q108 PolarHBondContact O-N 2.89Å; A105-Q108 PolarHBondContact O-NE2 3.11Å; K106-Q108 PolarHBondContact O-N 2.82Å; Q108-V110 PolarHBondContact O-N 2.87Å; Q108-T111 PolarHBondContact O-N 3.49Å; Q108-T111 VanDerWaalsContact O-N 3.11Å; Q108-T111 PolarHBondContact O-OG1 3.17Å; Q108-T111 VanDerWaalsContact O-OG1 3.04Å; Q108-N112 PolarHBondContact O-N 3.09Å; Q108-N112 VanDerWaalsContact O-N 3.1Å; Q108-N112 PolarHBondContact OE1-ND2 3.24Å; Q108-T116 PolarHBondContact NE2-OG1 3.47Å
109	A	94	Very high	95.4	Very high	5 Å²	5	36.5 Å²	36.5	4%	0.041	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-35.7	-175.5	0	0	0	0	0	112.6	A105 K106 T111 N112 P113 T116	A105-A109 PolarHBondContact O-N 2.99Å; K106-A109 VanDerWaalsContact O-CB 3.29Å; K106-A109 WeakPolarHBondContact O-CB 3.38Å; K106-A109 PolarHBondContact O-N 3.45Å; A109-T111 VanDerWaalsContact C-N 3.32Å; A109-T111 PolarHBondContact O-N 3.39Å; A109-N112 CarbonylContact O-C 3.52Å; A109-N112 PolarHBondContact O-N 3.29Å; A109-P113 VanDerWaalsContact O-CA 3.31Å; A109-P113 WeakPolarHBondContact O-CA 3.41Å; A109-P113 WeakPolarHBondContact O-CD 3.41Å; A109-P113 VanDerWaalsContact O-N 3.11Å; A109-T116 HydrophobicContact CB-CG2 3.81Å
110	V	92.3	Very high	95.6	Very high	29 Å²	29	35.8 Å²	35.8	18%	0.176	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-42.7	176.6	177.2	0	0	0	0	112.8	Q108 R307 E310	Q108-V110 PolarHBondContact O-N 2.87Å; V110-R307 HydrophobicContact CG1-CG 3.52Å; V110-R307 HydrophobicContact CG2-CG 4.38Å; V110-E310 VanDerWaalsContact CG2-CD 3.43Å; V110-E310 WeakPolarHBondContact CG2-OE1 3.33Å; V110-E310 WeakPolarHBondContact CG2-OE2 3.31Å
111	T	92.4	Very high	95.6	Very high	104 Å²	104	35 Å²	35	64%	0.638	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-13	-175.3	47.3	0	0	0	0	113.2	Q108 A109 P113	Q108-T111 PolarHBondContact O-N 3.49Å; Q108-T111 VanDerWaalsContact O-N 3.11Å; Q108-T111 PolarHBondContact O-OG1 3.17Å; Q108-T111 VanDerWaalsContact O-OG1 3.04Å; A109-T111 VanDerWaalsContact C-N 3.32Å; A109-T111 PolarHBondContact O-N 3.39Å; T111-P113 VanDerWaalsContact C-CD 3.5Å
112	N	95.1	Very high	95.5	Very high	26 Å²	26	34.4 Å²	34.4	14%	0.139	17%	0.173	C	C	.	.			trans	-137	53	-178.7	-172.5	21.2	0	0	0	112.3	F93 Q108 A109 N114 N115 T116	F93-N112 PolarHBondContact O-ND2 3.3Å; Q108-N112 PolarHBondContact O-N 3.09Å; Q108-N112 VanDerWaalsContact O-N 3.1Å; Q108-N112 PolarHBondContact OE1-ND2 3.24Å; A109-N112 CarbonylContact O-C 3.52Å; A109-N112 PolarHBondContact O-N 3.29Å; N112-N114 VanDerWaalsContact C-N 3.27Å; N112-N114 PolarHBondContact O-N 3.36Å; N112-N115 PolarHBondContact O-N 3.09Å; N112-N115 WeakPolarHBondContact OD1-CB 3.48Å; N112-N115 PolarHBondContact OD1-ND2 2.82Å; N112-T116 WeakPolarHBondContact O-CB 3.32Å; N112-T116 PolarHBondContact O-N 3.08Å; N112-T116 PolarHBondContact O-OG1 2.99Å
113	P	93.6	Very high	95.5	Very high	10 Å²	10	34.6 Å²	34.6	7%	0.065	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-66.6	-28.9	-171.1	27	-36	0	0	0	112.9	A109 T111 P141 N302 Q306	A109-P113 VanDerWaalsContact O-CA 3.31Å; A109-P113 WeakPolarHBondContact O-CA 3.41Å; A109-P113 WeakPolarHBondContact O-CD 3.41Å; A109-P113 VanDerWaalsContact O-N 3.11Å; T111-P113 VanDerWaalsContact C-CD 3.5Å; P113-P141 HydrophobicContact CB-CB 3.9Å; P113-P141 HydrophobicContact CB-CG 3.96Å; P113-P141 WeakPolarHBondContact O-CG 3.15Å; P113-N302 HydrophobicContact CG-CB 4.41Å; P113-Q306 HydrophobicContact CB-CB 4.26Å; P113-Q306 HydrophobicContact CB-CG 4.22Å
114	N	94.5	Very high	95.4	Very high	72 Å²	72	31.9 Å²	31.9	39%	0.385	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-76.5	-23.6	-176.1	-62.1	-16.6	0	0	0	113.6	N112 P141 F142 N302	N112-N114 VanDerWaalsContact C-N 3.27Å; N112-N114 PolarHBondContact O-N 3.36Å; N114-P141 PolarHBondContact OD1-O 3.48Å; N114-F142 WeakPolarHBondContact O-CB 3.42Å; N114-N302 PolarHBondContact OD1-ND2 3.19Å
115	N	96.8	Very high	95.1	Very high	24 Å²	24	30.4 Å²	30.4	13%	0.128	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-116.2	19.7	-179.7	-48.6	-74.1	0	0	0	112.1	A92 F93 N112 A156 H157	A92-N115 VanDerWaalsContact CA-O 3.3Å; A92-N115 WeakPolarHBondContact CA-O 3.44Å; F93-N115 PolarHBondContact N-O 3.3Å; F93-N115 WeakPolarHBondContact O-CB 3.48Å; N112-N115 PolarHBondContact O-N 3.09Å; N112-N115 WeakPolarHBondContact OD1-CB 3.48Å; N112-N115 PolarHBondContact OD1-ND2 2.82Å; N115-A156 HydrophobicContact CB-CB 4.18Å; N115-A156 WeakPolarHBondContact OD1-CA 3.42Å; N115-H157 PolarHBondContact ND2-CE1 3.4Å; N115-H157 VanDerWaalsContact ND2-CE1 3.25Å; N115-H157 PolarHBondContact OD1-N 3.19Å; N115-H157 VanDerWaalsContact OD1-N 3.15Å
116	T	97.5	Very high	94.8	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	111	175.2	-55.2	0	0	0	0	109.2	V90 V91 A92 Q108 A109 N112 F142	V90-T116 HydrophobicContact CG1-CG2 3.55Å; V91-T116 CarbonylContact O-C 3.54Å; A92-T116 HydrophobicContact CB-CG2 4.08Å; Q108-T116 PolarHBondContact NE2-OG1 3.47Å; A109-T116 HydrophobicContact CB-CG2 3.81Å; N112-T116 WeakPolarHBondContact O-CB 3.32Å; N112-T116 PolarHBondContact O-N 3.08Å; N112-T116 PolarHBondContact O-OG1 2.99Å; T116-F142 VanDerWaalsContact O-CD1 3.29Å; T116-F142 WeakPolarHBondContact O-CD1 3.41Å
117	F	98.1	Very high	94.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	129.6	-176.6	-53.1	-61.2	0	0	0	110.6	V90 V91 F93 T120 F142 V154 E155 A156 I166	V90-F117 CarbonylContact C-O 3.42Å; V90-F117 VanDerWaalsContact CA-O 3.31Å; V90-F117 WeakPolarHBondContact CA-O 3.32Å; V91-F117 PolarHBondContact N-O 2.88Å; V91-F117 PolarHBondContact O-N 3.25Å; F93-F117 HydrophobicContact CD2-CD2 4.11Å; F93-F117 AromaticContact CD2-CE2 3.6Å; F93-F117 HydrophobicContact CD2-CE2 3.6Å; F93-F117 AromaticContact CE2-CD2 3.93Å; F93-F117 HydrophobicContact CE2-CD2 3.93Å; F93-F117 AromaticContact CE2-CE2 3.61Å; F93-F117 HydrophobicContact CE2-CE2 3.61Å; F117-T120 HydrophobicContact CB-CG2 3.84Å; F117-F142 HydrophobicContact CD1-CB 3.85Å; F117-F142 HydrophobicContact CD1-CD1 4.14Å; F117-F142 AromaticContact CD1-CD2 3.74Å; F117-F142 HydrophobicContact CD1-CD2 3.74Å; F117-F142 HydrophobicContact CD1-CE2 4.31Å; F117-F142 AromaticContact CD1-CG 3.65Å; F117-F142 HydrophobicContact CD1-CG 3.65Å; F117-F142 HydrophobicContact CE1-CB 3.75Å; F117-F142 HydrophobicContact CE1-CD2 4.08Å; F117-F142 HydrophobicContact CE1-CG 4.02Å; F117-V154 HydrophobicContact CD1-CB 3.86Å; F117-V154 HydrophobicContact CD1-CG1 4.22Å; F117-V154 HydrophobicContact CD1-CG2 3.82Å; F117-V154 HydrophobicContact CD2-CG2 4.23Å; F117-V154 HydrophobicContact CE1-CB 3.54Å; F117-V154 HydrophobicContact CE1-CG1 4.33Å; F117-V154 HydrophobicContact CE1-CG2 3.67Å; F117-V154 HydrophobicContact CE2-CG2 4.05Å; F117-V154 HydrophobicContact CG-CG2 4.1Å; F117-V154 HydrophobicContact CZ-CB 4.04Å; F117-V154 HydrophobicContact CZ-CG2 3.77Å; F117-E155 WeakPolarHBondContact CZ-O 3.27Å; F117-A156 HydrophobicContact CE2-CB 3.62Å; F117-A156 HydrophobicContact CZ-CB 3.47Å; F117-A156 VanDerWaalsContact CZ-CB 3.47Å; F117-I166 HydrophobicContact CB-CG2 4.26Å; F117-I166 HydrophobicContact CD2-CD1 3.73Å; F117-I166 HydrophobicContact CE2-CD1 4.19Å; F117-I166 HydrophobicContact CG-CD1 4.4Å
118	Y	97.1	Very high	94.7	Very high	22 Å²	22	27.2 Å²	27.2	9%	0.086	14%	0.14	C	C	.	.			trans	-142.7	163.6	175.3	56.5	-91.1	0	0	0	108.8	T120 P141 F142 R309	Y118-T120 PolarHBondContact O-N 2.84Å; Y118-P141 HydrophobicContact CE1-CG 4.39Å; Y118-P141 WeakPolarHBondContact OH-CD 3.42Å; Y118-F142 HydrophobicContact CD1-CD1 4.45Å; Y118-F142 HydrophobicContact CD1-CE1 4.03Å; Y118-F142 HydrophobicContact CE1-CD1 4.18Å; Y118-F142 AromaticContact CE1-CE1 3.93Å; Y118-F142 HydrophobicContact CE1-CE1 3.93Å; Y118-F142 HydrophobicContact CE2-CE1 4.48Å; Y118-F142 HydrophobicContact CG-CE1 4.37Å; Y118-R309 WeakPolarHBondContact OH-CD 3.3Å; Y118-R309 PolarHBondContact OH-NE 3.39Å
119	A	96.4	Very high	94.6	Very high	10 Å²	10	30 Å²	30	8%	0.083	16%	0.156	C	C	.	.			trans	53.5	22	-177.6	0	0	0	0	0	114.5	T62 K121 R122 E276	T62-A119 HydrophobicContact CG2-CB 3.84Å; A119-K121 PolarHBondContact O-N 2.84Å; A119-K121 VanDerWaalsContact O-N 3.14Å; A119-R122 VanDerWaalsContact O-CB 3.3Å; A119-R122 WeakPolarHBondContact O-CB 3.36Å; A119-R122 PolarHBondContact O-N 3.37Å; A119-E276 HydrophobicContact CB-CG 4.01Å
120	T	96.5	Very high	94.4	Very high	11 Å²	11	31.7 Å²	31.7	7%	0.067	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-66.7	-17.3	-177.3	54	0	0	0	0	113	F117 Y118 R122 L123 I124 I166	F117-T120 HydrophobicContact CB-CG2 3.84Å; Y118-T120 PolarHBondContact O-N 2.84Å; T120-R122 PolarHBondContact O-N 2.95Å; T120-L123 WeakPolarHBondContact O-CA 3.45Å; T120-L123 WeakPolarHBondContact O-CB 3.33Å; T120-L123 PolarHBondContact O-N 3.16Å; T120-I124 PolarHBondContact O-N 3.2Å; T120-I124 VanDerWaalsContact O-N 3.17Å; T120-I166 HydrophobicContact CG2-CB 4.38Å; T120-I166 HydrophobicContact CG2-CG2 3.86Å; T120-I166 WeakPolarHBondContact OG1-CG2 3.49Å
121	K	95.9	Very high	94.4	Very high	15 Å²	15	34.9 Å²	34.9	7%	0.065	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-58.9	-24	167.7	-165.1	175.1	-173.1	-178.5	0	112.5	L60 A119 L123 I124 F197 E222	L60-K121 WeakPolarHBondContact O-CD 3.42Å; L60-K121 WeakPolarHBondContact O-CE 3.39Å; L60-K121 PolarHBondContact O-NZ 3.2Å; A119-K121 PolarHBondContact O-N 2.84Å; A119-K121 VanDerWaalsContact O-N 3.14Å; K121-L123 PolarHBondContact O-N 3.19Å; K121-I124 HydrophobicContact CG-CG2 4.3Å; K121-I124 VanDerWaalsContact O-CG2 3.27Å; K121-I124 WeakPolarHBondContact O-CG2 3.23Å; K121-F197 HydrophobicContact CG-CZ 4.19Å; K121-E222 IonicContact NZ-OE1 3.42Å; K121-E222 PolarHBondContact NZ-OE1 2.86Å
122	R	95.4	Very high	94.3	Very high	9 Å²	9	33.1 Å²	33.1	3%	0.034	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-70.1	-20.6	171.7	-64.3	174.3	73.2	115.6	5.9	112.9	T62 A119 T120 R126 D136 F272 D277	T62-R122 HydrophobicContact CG2-CG 4.12Å; A119-R122 VanDerWaalsContact O-CB 3.3Å; A119-R122 WeakPolarHBondContact O-CB 3.36Å; A119-R122 PolarHBondContact O-N 3.37Å; T120-R122 PolarHBondContact O-N 2.95Å; R122-R126 WeakPolarHBondContact O-CD 3.44Å; R122-R126 PolarHBondContact O-NE 3.45Å; R122-D136 IonicContact NE-OD1 2.69Å; R122-D136 IonicContact NE-OD2 3.72Å; R122-D136 PolarHBondContact NE-OD2 3.31Å; R122-F272 HydrophobicContact CB-CD2 4.45Å; R122-F272 HydrophobicContact CB-CE2 4.05Å; R122-F272 HydrophobicContact CG-CE2 4.48Å; R122-F272 VanDerWaalsContact NE-CE2 3.32Å; R122-D277 IonicContact CZ-OD2 3.52Å; R122-D277 IonicContact NH1-OD2 3.96Å; R122-D277 PolarHBondContact NH1-OD2 3.25Å; R122-D277 IonicContact NH2-OD1 3.65Å; R122-D277 IonicContact NH2-OD2 2.76Å; R122-D277 PolarHBondContact NH2-OD2 2.95Å; R122-D277 VanDerWaalsContact NH2-OD2 3.15Å
123	L	96.1	Very high	94.3	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-20.3	-179.1	-52.8	179.1	0	0	0	113.2	T120 K121 G125 R126 V133 F142 I144 V154 P163	T120-L123 WeakPolarHBondContact O-CA 3.45Å; T120-L123 WeakPolarHBondContact O-CB 3.33Å; T120-L123 PolarHBondContact O-N 3.16Å; K121-L123 PolarHBondContact O-N 3.19Å; L123-G125 PolarHBondContact O-N 2.66Å; L123-R126 WeakPolarHBondContact O-CB 3.36Å; L123-R126 PolarHBondContact O-N 3.38Å; L123-R126 VanDerWaalsContact O-N 3.1Å; L123-V133 HydrophobicContact CD2-CG1 4.36Å; L123-V133 HydrophobicContact CD2-CG2 4.21Å; L123-F142 HydrophobicContact CD1-CE2 4.45Å; L123-I144 HydrophobicContact CD1-CD1 3.87Å; L123-I144 HydrophobicContact CD1-CG1 3.93Å; L123-I144 HydrophobicContact CD2-CD1 3.9Å; L123-V154 HydrophobicContact CD1-CG1 3.9Å; L123-P163 HydrophobicContact CB-CB 4.26Å; L123-P163 HydrophobicContact CB-CG 3.81Å
124	I	93.9	Very high	94.4	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	128.8	-175.4	-155.4	168.2	0	0	0	111	T120 K121 R126 P163 F197 Q201 A204	T120-I124 PolarHBondContact O-N 3.2Å; T120-I124 VanDerWaalsContact O-N 3.17Å; K121-I124 HydrophobicContact CG-CG2 4.3Å; K121-I124 VanDerWaalsContact O-CG2 3.27Å; K121-I124 WeakPolarHBondContact O-CG2 3.23Å; I124-R126 VanDerWaalsContact C-N 3.27Å; I124-R126 PolarHBondContact O-N 3.48Å; I124-P163 HydrophobicContact CB-CB 4.07Å; I124-P163 HydrophobicContact CG1-CB 4.22Å; I124-F197 HydrophobicContact CG2-CE2 3.95Å; I124-F197 HydrophobicContact CG2-CZ 4.07Å; I124-Q201 WeakPolarHBondContact O-CG 3.41Å; I124-A204 HydrophobicContact CD1-CB 4.33Å; I124-A204 HydrophobicContact CG1-CB 3.66Å
125	G	89.7	Confident	94.4	Very high	16 Å²	16	34.3 Å²	34.3	17%	0.165	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	17.5	-177.7	0	0	0	0	0	115.8	L123	L123-G125 PolarHBondContact O-N 2.66Å
126	R	91.8	Very high	94.2	Very high	20 Å²	20	33.9 Å²	33.9	8%	0.075	17%	0.169	C	C	.	.			trans	-106.8	150.7	178.3	-63.2	-166	-172.5	-96.7	-0.6	113.2	R122 L123 I124 D130 E132 V133 A152 T271	R122-R126 WeakPolarHBondContact O-CD 3.44Å; R122-R126 PolarHBondContact O-NE 3.45Å; L123-R126 WeakPolarHBondContact O-CB 3.36Å; L123-R126 PolarHBondContact O-N 3.38Å; L123-R126 VanDerWaalsContact O-N 3.1Å; I124-R126 VanDerWaalsContact C-N 3.27Å; I124-R126 PolarHBondContact O-N 3.48Å; R126-D130 WeakPolarHBondContact CB-OD2 3.24Å; R126-E132 IonicContact NH1-OE2 3.67Å; R126-V133 HydrophobicContact CB-CG2 3.72Å; R126-V133 HydrophobicContact CG-CG2 4.46Å; R126-A152 PolarHBondContact O-N 3.45Å; R126-A152 VanDerWaalsContact O-N 3.1Å; R126-T271 PolarHBondContact NH2-O 2.7Å; R126-T271 PolarHBondContact NH2-OG1 3.38Å
127	R	91.1	Very high	94.1	Very high	104 Å²	104	36.3 Å²	36.3	39%	0.392	18%	0.181	S	C	.	.	B	Isolated β-bridge	trans	-81.2	151.8	172.8	-61	-61.1	-152.4	163.7	9.7	110.1	D129 D130 V133 N149 D151	R127-D129 PolarHBondContact O-N 3.49Å; R127-D130 PolarHBondContact N-OD2 3Å; R127-D130 WeakPolarHBondContact O-CB 3.39Å; R127-D130 PolarHBondContact O-N 3.02Å; R127-D130 VanDerWaalsContact O-N 3.16Å; R127-V133 WeakPolarHBondContact O-CG2 3.35Å; R127-N149 PolarHBondContact NH1-O 3.11Å; R127-D151 WeakPolarHBondContact CD-OD1 3.02Å; R127-D151 IonicContact CZ-OD1 3.63Å; R127-D151 IonicContact NE-OD1 2.88Å; R127-D151 IonicContact NH1-OD1 3.9Å; R127-D151 PolarHBondContact NH1-OD1 3.48Å
128	Y	95.4	Very high	93.8	Very high	52 Å²	52	44.4 Å²	44.4	20%	0.204	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-36.3	176	-178.2	-92.9	0	0	0	112.5	D130 Q134 I137 I144 R146 G150	Y128-D130 VanDerWaalsContact C-N 3.32Å; Y128-D130 PolarHBondContact O-N 3.32Å; Y128-Q134 PolarHBondContact O-NE2 2.9Å; Y128-I137 HydrophobicContact CD2-CD1 4.36Å; Y128-I137 HydrophobicContact CE1-CD1 4.47Å; Y128-I137 HydrophobicContact CE2-CD1 3.71Å; Y128-I144 HydrophobicContact CD2-CG2 4.37Å; Y128-I144 HydrophobicContact CE2-CG2 4.4Å; Y128-R146 HydrophobicContact CD1-CB 4.01Å; Y128-R146 HydrophobicContact CD1-CG 4.42Å; Y128-R146 HydrophobicContact CD2-CB 3.87Å; Y128-R146 VanDerWaalsContact CD2-N 3.35Å; Y128-R146 HydrophobicContact CE1-CB 4.45Å; Y128-R146 HydrophobicContact CE2-CB 4.34Å; Y128-R146 HydrophobicContact CG-CB 3.67Å; Y128-R146 HydrophobicContact CG-CG 4.14Å; Y128-G150 PolarHBondContact N-O 3.45Å
129	D	93.3	Very high	93.4	Very high	92 Å²	92	45 Å²	45	49%	0.492	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.8	-177.3	-66.6	-44.2	0	0	0	114.8	R127 R146	R127-D129 PolarHBondContact O-N 3.49Å; D129-R146 IonicContact OD1-CZ 3.66Å; D129-R146 IonicContact OD1-NH1 2.75Å; D129-R146 IonicContact OD1-NH2 3.15Å; D129-R146 PolarHBondContact OD1-NH2 3.21Å; D129-R146 IonicContact OD2-CZ 3.48Å; D129-R146 VanDerWaalsContact OD2-CZ 3.32Å; D129-R146 IonicContact OD2-NH1 3.92Å; D129-R146 PolarHBondContact OD2-NH1 3.44Å; D129-R146 IonicContact OD2-NH2 2.81Å; D129-R146 PolarHBondContact OD2-NH2 2.98Å; D129-R146 VanDerWaalsContact OD2-NH2 3.1Å
130	D	89.9	Confident	93.3	Very high	40 Å²	40	45.9 Å²	45.9	21%	0.214	23%	0.225	C	C	.	.			trans	-60.4	135.5	-179.3	-71.2	-15.9	0	0	0	109.7	R126 R127 Y128 E132 V133 Q134	R126-D130 WeakPolarHBondContact CB-OD2 3.24Å; R127-D130 PolarHBondContact N-OD2 3Å; R127-D130 WeakPolarHBondContact O-CB 3.39Å; R127-D130 PolarHBondContact O-N 3.02Å; R127-D130 VanDerWaalsContact O-N 3.16Å; Y128-D130 VanDerWaalsContact C-N 3.32Å; Y128-D130 PolarHBondContact O-N 3.32Å; D130-E132 PolarHBondContact O-N 3.39Å; D130-E132 VanDerWaalsContact O-N 3.13Å; D130-V133 HydrophobicContact CB-CB 4.41Å; D130-V133 HydrophobicContact CB-CG2 4.11Å; D130-V133 WeakPolarHBondContact O-CB 3.45Å; D130-V133 PolarHBondContact O-N 2.88Å; D130-Q134 PolarHBondContact O-N 3.47Å
131	P	91.6	Very high	93.1	Very high	97 Å²	97	46.7 Å²	46.7	63%	0.63	23%	0.231	S	C	*	.	H	α-helix	trans	-54.5	-35.6	-177.5	-27.6	35.1	0	0	0	113.7	Q134 K135	P131-Q134 PolarHBondContact O-N 3.36Å; P131-K135 PolarHBondContact O-N 3.44Å
132	E	91.1	Very high	93.1	Very high	67 Å²	67	46.4 Å²	46.4	31%	0.313	23%	0.23	S	C	.	.	H	α-helix	trans	-62.5	-45.6	175.1	-66.1	77.4	-165.8	0	0	111.5	R126 D130 K135 D136 F272	R126-E132 IonicContact NH1-OE2 3.67Å; D130-E132 PolarHBondContact O-N 3.39Å; D130-E132 VanDerWaalsContact O-N 3.13Å; E132-K135 WeakPolarHBondContact O-CB 3.49Å; E132-K135 PolarHBondContact O-N 3.22Å; E132-D136 PolarHBondContact O-N 3.02Å; E132-F272 HydrophobicContact CB-CD1 4.05Å; E132-F272 HydrophobicContact CB-CD2 3.73Å; E132-F272 HydrophobicContact CB-CE1 3.99Å; E132-F272 HydrophobicContact CB-CE2 3.66Å; E132-F272 HydrophobicContact CB-CG 3.89Å; E132-F272 HydrophobicContact CB-CZ 3.78Å; E132-F272 HydrophobicContact CG-CB 3.96Å; E132-F272 HydrophobicContact CG-CD1 3.91Å; E132-F272 HydrophobicContact CG-CD2 3.98Å; E132-F272 HydrophobicContact CG-CE1 4.34Å; E132-F272 HydrophobicContact CG-CE2 4.39Å; E132-F272 HydrophobicContact CG-CG 3.69Å; E132-F272 WeakPolarHBondContact O-CZ 3.33Å
133	V	94.9	Very high	93.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.3	-40.7	177.9	176.2	0	0	0	0	110.7	L123 R126 R127 D130 K135 D136 I137 I144 A152	L123-V133 HydrophobicContact CD2-CG1 4.36Å; L123-V133 HydrophobicContact CD2-CG2 4.21Å; R126-V133 HydrophobicContact CB-CG2 3.72Å; R126-V133 HydrophobicContact CG-CG2 4.46Å; R127-V133 WeakPolarHBondContact O-CG2 3.35Å; D130-V133 HydrophobicContact CB-CB 4.41Å; D130-V133 HydrophobicContact CB-CG2 4.11Å; D130-V133 WeakPolarHBondContact O-CB 3.45Å; D130-V133 PolarHBondContact O-N 2.88Å; V133-K135 PolarHBondContact O-N 3.28Å; V133-D136 PolarHBondContact O-N 3.32Å; V133-D136 VanDerWaalsContact O-N 3.09Å; V133-I137 HydrophobicContact CG1-CD1 4.04Å; V133-I137 HydrophobicContact CG1-CG1 4.44Å; V133-I137 WeakPolarHBondContact O-CG1 3.35Å; V133-I137 PolarHBondContact O-N 2.89Å; V133-I144 HydrophobicContact CG1-CG2 4.01Å; V133-A152 HydrophobicContact CG1-CB 3.79Å; V133-A152 HydrophobicContact CG2-CB 4.14Å
134	Q	96	Very high	93.2	Very high	60 Å²	60	52.2 Å²	52.2	28%	0.28	26%	0.255	S	S	.	.	H	α-helix	trans	-62.6	-29.2	175	-66.9	-60.5	-49.3	0	0	113	Y128 D130 P131	Y128-Q134 PolarHBondContact O-NE2 2.9Å; D130-Q134 PolarHBondContact O-N 3.47Å; P131-Q134 PolarHBondContact O-N 3.36Å
135	K	93.4	Very high	93.4	Very high	72 Å²	72	53.4 Å²	53.4	31%	0.313	26%	0.263	S	S	.	.	H	α-helix	trans	-70.8	-46.6	170.5	175.6	175.7	155.4	-152.2	0	110.7	P131 E132 V133 K138 N139 F272 D277	P131-K135 PolarHBondContact O-N 3.44Å; E132-K135 WeakPolarHBondContact O-CB 3.49Å; E132-K135 PolarHBondContact O-N 3.22Å; V133-K135 PolarHBondContact O-N 3.28Å; K135-K138 PolarHBondContact O-N 3.5Å; K135-N139 PolarHBondContact O-ND2 3.49Å; K135-F272 HydrophobicContact CB-CE1 4.41Å; K135-F272 HydrophobicContact CD-CE1 3.89Å; K135-F272 HydrophobicContact CG-CE1 4.34Å; K135-D277 IonicContact NZ-OD1 3.57Å; K135-D277 PolarHBondContact NZ-OD1 3.44Å
136	D	93.6	Very high	93.7	Very high	16 Å²	16	58.3 Å²	58.3	9%	0.086	28%	0.276	C	S	.	.	H	α-helix	trans	-66.2	-36.9	-178.9	-81.6	-6	0	0	0	113.1	R122 E132 V133 K138 N139 V140 I144 F272	R122-D136 IonicContact NE-OD1 2.69Å; R122-D136 IonicContact NE-OD2 3.72Å; R122-D136 PolarHBondContact NE-OD2 3.31Å; E132-D136 PolarHBondContact O-N 3.02Å; V133-D136 PolarHBondContact O-N 3.32Å; V133-D136 VanDerWaalsContact O-N 3.09Å; D136-K138 PolarHBondContact O-N 3.43Å; D136-N139 PolarHBondContact O-N 3Å; D136-V140 WeakPolarHBondContact O-CG2 3.36Å; D136-V140 PolarHBondContact O-N 2.99Å; D136-I144 HydrophobicContact CB-CD1 4.21Å; D136-F272 HydrophobicContact CB-CZ 4.4Å; D136-F272 WeakPolarHBondContact OD1-CZ 3.47Å; D136-F272 VanDerWaalsContact OD2-CE2 3.23Å; D136-F272 WeakPolarHBondContact OD2-CE2 3.33Å; D136-F272 WeakPolarHBondContact OD2-CZ 3.28Å
137	I	95.3	Very high	93.8	Very high	51 Å²	51	57.6 Å²	57.6	26%	0.262	28%	0.275	S	S	.	.	H	α-helix	trans	-49.4	-34.4	173.3	-76.9	162	0	0	0	112.4	Y128 V133 I144	Y128-I137 HydrophobicContact CD2-CD1 4.36Å; Y128-I137 HydrophobicContact CE1-CD1 4.47Å; Y128-I137 HydrophobicContact CE2-CD1 3.71Å; V133-I137 HydrophobicContact CG1-CD1 4.04Å; V133-I137 HydrophobicContact CG1-CG1 4.44Å; V133-I137 WeakPolarHBondContact O-CG1 3.35Å; V133-I137 PolarHBondContact O-N 2.89Å; I137-I144 HydrophobicContact CD1-CG2 4.34Å; I137-I144 HydrophobicContact CG1-CB 3.78Å; I137-I144 HydrophobicContact CG1-CD1 4.07Å; I137-I144 HydrophobicContact CG1-CG1 4.49Å; I137-I144 HydrophobicContact CG1-CG2 4.03Å
138	K	91.4	Very high	93.8	Very high	170 Å²	170	59.1 Å²	59.1	74%	0.739	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-13.5	-178.7	-61.1	172.5	-173.1	173.7	0	113.4	K135 D136	K135-K138 PolarHBondContact O-N 3.5Å; D136-K138 PolarHBondContact O-N 3.43Å
139	N	89.6	Confident	93.2	Very high	35 Å²	35	59.4 Å²	59.4	19%	0.187	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-16.4	-169.4	-65.6	-43.9	0	0	0	113.5	K135 D136 Q280 R309	K135-N139 PolarHBondContact O-ND2 3.49Å; D136-N139 PolarHBondContact O-N 3Å; N139-Q280 PolarHBondContact OD1-NE2 3.2Å; N139-R309 PolarHBondContact O-NH2 2.99Å
140	V	93.1	Very high	93	Very high	28 Å²	28	55.8 Å²	55.8	17%	0.17	29%	0.291	C	S	.	.			trans	-105.3	149.8	-179.8	-57.9	0	0	0	0	111.7	D136 F142 I144	D136-V140 WeakPolarHBondContact O-CG2 3.36Å; D136-V140 PolarHBondContact O-N 2.99Å; V140-F142 HydrophobicContact CB-CD1 4.13Å; V140-F142 HydrophobicContact CB-CD2 4.48Å; V140-F142 HydrophobicContact CB-CE1 3.78Å; V140-F142 HydrophobicContact CB-CE2 4.16Å; V140-F142 HydrophobicContact CB-CG 4.47Å; V140-F142 HydrophobicContact CB-CZ 3.8Å; V140-F142 HydrophobicContact CG1-CE1 4.06Å; V140-F142 HydrophobicContact CG1-CZ 3.87Å; V140-F142 HydrophobicContact CG2-CD1 4.43Å; V140-F142 HydrophobicContact CG2-CD2 3.93Å; V140-F142 HydrophobicContact CG2-CE1 4.22Å; V140-F142 HydrophobicContact CG2-CE2 3.69Å; V140-F142 HydrophobicContact CG2-CG 4.29Å; V140-F142 HydrophobicContact CG2-CZ 3.85Å; V140-I144 HydrophobicContact CG2-CD1 3.76Å; V140-I144 HydrophobicContact CG2-CG1 4.2Å
141	P	92.1	Very high	93.1	Very high	29 Å²	29	54.7 Å²	54.7	19%	0.188	29%	0.285	C	S	.	.	S	Bend	trans	-80.8	-27.7	179.2	30.8	-34.2	0	0	0	113.5	P113 N114 Y118	P113-P141 HydrophobicContact CB-CB 3.9Å; P113-P141 HydrophobicContact CB-CG 3.96Å; P113-P141 WeakPolarHBondContact O-CG 3.15Å; N114-P141 PolarHBondContact OD1-O 3.48Å; Y118-P141 HydrophobicContact CE1-CG 4.39Å; Y118-P141 WeakPolarHBondContact OH-CD 3.42Å
142	F	95.4	Very high	93.3	Very high	9 Å²	9	50.1 Å²	50.1	4%	0.039	26%	0.255	C	S	.	.	S	Bend	trans	-77.8	156	178.3	57.7	-101.2	0	0	0	111.6	N114 T116 F117 Y118 L123 V140 I144 V154	N114-F142 WeakPolarHBondContact O-CB 3.42Å; T116-F142 VanDerWaalsContact O-CD1 3.29Å; T116-F142 WeakPolarHBondContact O-CD1 3.41Å; F117-F142 HydrophobicContact CD1-CB 3.85Å; F117-F142 HydrophobicContact CD1-CD1 4.14Å; F117-F142 AromaticContact CD1-CD2 3.74Å; F117-F142 HydrophobicContact CD1-CD2 3.74Å; F117-F142 HydrophobicContact CD1-CE2 4.31Å; F117-F142 AromaticContact CD1-CG 3.65Å; F117-F142 HydrophobicContact CD1-CG 3.65Å; F117-F142 HydrophobicContact CE1-CB 3.75Å; F117-F142 HydrophobicContact CE1-CD2 4.08Å; F117-F142 HydrophobicContact CE1-CG 4.02Å; Y118-F142 HydrophobicContact CD1-CD1 4.45Å; Y118-F142 HydrophobicContact CD1-CE1 4.03Å; Y118-F142 HydrophobicContact CE1-CD1 4.18Å; Y118-F142 AromaticContact CE1-CE1 3.93Å; Y118-F142 HydrophobicContact CE1-CE1 3.93Å; Y118-F142 HydrophobicContact CE2-CE1 4.48Å; Y118-F142 HydrophobicContact CG-CE1 4.37Å; L123-F142 HydrophobicContact CD1-CE2 4.45Å; V140-F142 HydrophobicContact CB-CD1 4.13Å; V140-F142 HydrophobicContact CB-CD2 4.48Å; V140-F142 HydrophobicContact CB-CE1 3.78Å; V140-F142 HydrophobicContact CB-CE2 4.16Å; V140-F142 HydrophobicContact CB-CG 4.47Å; V140-F142 HydrophobicContact CB-CZ 3.8Å; V140-F142 HydrophobicContact CG1-CE1 4.06Å; V140-F142 HydrophobicContact CG1-CZ 3.87Å; V140-F142 HydrophobicContact CG2-CD1 4.43Å; V140-F142 HydrophobicContact CG2-CD2 3.93Å; V140-F142 HydrophobicContact CG2-CE1 4.22Å; V140-F142 HydrophobicContact CG2-CE2 3.69Å; V140-F142 HydrophobicContact CG2-CG 4.29Å; V140-F142 HydrophobicContact CG2-CZ 3.85Å; F142-I144 HydrophobicContact CD2-CG1 4.14Å; F142-I144 HydrophobicContact CE2-CD1 4.19Å; F142-I144 HydrophobicContact CE2-CG1 3.82Å; F142-I144 PolarHBondContact O-N 2.81Å; F142-V154 HydrophobicContact CD2-CG1 4.11Å; F142-V154 HydrophobicContact CE2-CG1 3.99Å
143	K	96.6	Very high	93.6	Very high	121 Å²	121	48.7 Å²	48.7	53%	0.526	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	122.9	-178.7	-64.6	-177.5	-169.4	170.3	0	110.9	V145 V154 E155	K143-V145 HydrophobicContact CB-CG1 4.21Å; K143-V154 WeakPolarHBondContact O-CA 3.35Å; K143-E155 HydrophobicContact CB-CB 4.21Å; K143-E155 IonicContact NZ-OE1 3.61Å; K143-E155 PolarHBondContact NZ-OE1 2.94Å; K143-E155 PolarHBondContact O-N 3.19Å; K143-E155 VanDerWaalsContact O-N 3.1Å
144	I	98.1	Very high	93.8	Very high	13 Å²	13	48.7 Å²	48.7	7%	0.067	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128	162.6	-59.2	166.7	0	0	0	107.3	L123 Y128 V133 D136 I137 V140 F142 A152 W153 V154	L123-I144 HydrophobicContact CD1-CD1 3.87Å; L123-I144 HydrophobicContact CD1-CG1 3.93Å; L123-I144 HydrophobicContact CD2-CD1 3.9Å; Y128-I144 HydrophobicContact CD2-CG2 4.37Å; Y128-I144 HydrophobicContact CE2-CG2 4.4Å; V133-I144 HydrophobicContact CG1-CG2 4.01Å; D136-I144 HydrophobicContact CB-CD1 4.21Å; I137-I144 HydrophobicContact CD1-CG2 4.34Å; I137-I144 HydrophobicContact CG1-CB 3.78Å; I137-I144 HydrophobicContact CG1-CD1 4.07Å; I137-I144 HydrophobicContact CG1-CG1 4.49Å; I137-I144 HydrophobicContact CG1-CG2 4.03Å; V140-I144 HydrophobicContact CG2-CD1 3.76Å; V140-I144 HydrophobicContact CG2-CG1 4.2Å; F142-I144 HydrophobicContact CD2-CG1 4.14Å; F142-I144 HydrophobicContact CE2-CD1 4.19Å; F142-I144 HydrophobicContact CE2-CG1 3.82Å; F142-I144 PolarHBondContact O-N 2.81Å; I144-A152 HydrophobicContact CG2-CB 4.22Å; I144-W153 CarbonylContact C-O 3.51Å; I144-W153 VanDerWaalsContact CA-O 3.3Å; I144-W153 WeakPolarHBondContact CA-O 3.17Å; I144-V154 HydrophobicContact CG1-CG1 4.4Å
145	V	97.4	Very high	93.8	Very high	29 Å²	29	47.9 Å²	47.9	18%	0.176	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.3	-171.6	-61.5	0	0	0	0	111.1	K143 W153 E155 L160	K143-V145 HydrophobicContact CB-CG1 4.21Å; V145-W153 HydrophobicContact CG2-CB 4.26Å; V145-W153 PolarHBondContact N-O 3.07Å; V145-W153 PolarHBondContact O-N 3.32Å; V145-E155 HydrophobicContact CG1-CB 4.28Å; V145-E155 HydrophobicContact CG2-CB 4.41Å; V145-L160 HydrophobicContact CG2-CD2 3.56Å
146	R	97	Very high	93.9	Very high	119 Å²	119	44.5 Å²	44.5	45%	0.449	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	119.8	177	-175.1	-168.3	-64.7	-84.3	3.2	109.6	Y128 D129	Y128-R146 HydrophobicContact CD1-CB 4.01Å; Y128-R146 HydrophobicContact CD1-CG 4.42Å; Y128-R146 HydrophobicContact CD2-CB 3.87Å; Y128-R146 VanDerWaalsContact CD2-N 3.35Å; Y128-R146 HydrophobicContact CE1-CB 4.45Å; Y128-R146 HydrophobicContact CE2-CB 4.34Å; Y128-R146 HydrophobicContact CG-CB 3.67Å; Y128-R146 HydrophobicContact CG-CG 4.14Å; D129-R146 IonicContact OD1-CZ 3.66Å; D129-R146 IonicContact OD1-NH1 2.75Å; D129-R146 IonicContact OD1-NH2 3.15Å; D129-R146 PolarHBondContact OD1-NH2 3.21Å; D129-R146 IonicContact OD2-CZ 3.48Å; D129-R146 VanDerWaalsContact OD2-CZ 3.32Å; D129-R146 IonicContact OD2-NH1 3.92Å; D129-R146 PolarHBondContact OD2-NH1 3.44Å; D129-R146 IonicContact OD2-NH2 2.81Å; D129-R146 PolarHBondContact OD2-NH2 2.98Å; D129-R146 VanDerWaalsContact OD2-NH2 3.1Å
147	A	94.3	Very high	93.8	Very high	6 Å²	6	48.2 Å²	48.2	5%	0.05	25%	0.246	C	C	.	.			trans	-71.9	164.7	170.5	0	0	0	0	0	112	N149 G150 D151 W153	A147-N149 VanDerWaalsContact CB-OD1 3.3Å; A147-N149 WeakPolarHBondContact CB-OD1 3.45Å; A147-N149 PolarHBondContact O-N 3.39Å; A147-N149 VanDerWaalsContact O-N 3.15Å; A147-G150 PolarHBondContact O-N 3.46Å; A147-D151 HydrophobicContact CB-CB 4.45Å; A147-D151 PolarHBondContact N-O 3.02Å; A147-W153 HydrophobicContact CB-CB 4.34Å; A147-W153 HydrophobicContact CB-CD2 3.74Å; A147-W153 HydrophobicContact CB-CG 3.65Å; A147-W153 HydrophobicContact CB-CZ2 4.32Å
148	S	89.4	Confident	93.7	Very high	135 Å²	135	48.6 Å²	48.6	94%	0.944	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-31	179.9	52.7	0	0	0	0	113.3	G150	S148-G150 VanDerWaalsContact C-N 3.34Å
149	N	83.1	Confident	93.7	Very high	59 Å²	59	46.2 Å²	46.2	32%	0.316	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-3.6	177.6	70.8	-7.8	0	0	0	113.8	R127 A147 D151 G552	R127-N149 PolarHBondContact NH1-O 3.11Å; A147-N149 VanDerWaalsContact CB-OD1 3.3Å; A147-N149 WeakPolarHBondContact CB-OD1 3.45Å; A147-N149 PolarHBondContact O-N 3.39Å; A147-N149 VanDerWaalsContact O-N 3.15Å; N149-D151 PolarHBondContact ND2-OD2 2.78Å; N149-D151 WeakPolarHBondContact OD1-CB 3.38Å; N149-D151 PolarHBondContact OD1-N 2.94Å; N149-G552 PolarHBondContact ND2-O 2.87Å
150	G	89.8	Confident	94	Very high	16 Å²	16	48.5 Å²	48.5	17%	0.165	26%	0.263	C	S	.	.	S	Bend	trans	95	-1	-177.8	0	0	0	0	0	116	Y128 A147 S148	Y128-G150 PolarHBondContact N-O 3.45Å; A147-G150 PolarHBondContact O-N 3.46Å; S148-G150 VanDerWaalsContact C-N 3.34Å
151	D	92.1	Very high	94.2	Very high	16 Å²	16	48 Å²	48	9%	0.086	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-78.5	159.9	-177.3	-64.7	-12.1	0	0	0	113.4	R127 A147 N149 W153 G552	R127-D151 WeakPolarHBondContact CD-OD1 3.02Å; R127-D151 IonicContact CZ-OD1 3.63Å; R127-D151 IonicContact NE-OD1 2.88Å; R127-D151 IonicContact NH1-OD1 3.9Å; R127-D151 PolarHBondContact NH1-OD1 3.48Å; A147-D151 HydrophobicContact CB-CB 4.45Å; A147-D151 PolarHBondContact N-O 3.02Å; N149-D151 PolarHBondContact ND2-OD2 2.78Å; N149-D151 WeakPolarHBondContact OD1-CB 3.38Å; N149-D151 PolarHBondContact OD1-N 2.94Å; D151-W153 PolarHBondContact O-N 2.96Å; D151-G552 WeakPolarHBondContact OD2-CA 3.44Å
152	A	96	Very high	94.4	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	108.4	174.5	0	0	0	0	0	110.4	R126 V133 I144 P163	R126-A152 PolarHBondContact O-N 3.45Å; R126-A152 VanDerWaalsContact O-N 3.1Å; V133-A152 HydrophobicContact CG1-CB 3.79Å; V133-A152 HydrophobicContact CG2-CB 4.14Å; I144-A152 HydrophobicContact CG2-CB 4.22Å; A152-P163 VanDerWaalsContact O-CD 3.24Å; A152-P163 WeakPolarHBondContact O-CD 3.42Å; A152-P163 WeakPolarHBondContact O-CG 3.43Å
153	W	97.6	Very high	94.5	Very high	37 Å²	37	46.6 Å²	46.6	14%	0.14	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	170.8	175.6	-76.9	33.8	0	0	0	110.6	I144 V145 A147 D151 L160 Y161 L553 M561	I144-W153 CarbonylContact C-O 3.51Å; I144-W153 VanDerWaalsContact CA-O 3.3Å; I144-W153 WeakPolarHBondContact CA-O 3.17Å; V145-W153 HydrophobicContact CG2-CB 4.26Å; V145-W153 PolarHBondContact N-O 3.07Å; V145-W153 PolarHBondContact O-N 3.32Å; A147-W153 HydrophobicContact CB-CB 4.34Å; A147-W153 HydrophobicContact CB-CD2 3.74Å; A147-W153 HydrophobicContact CB-CG 3.65Å; A147-W153 HydrophobicContact CB-CZ2 4.32Å; D151-W153 PolarHBondContact O-N 2.96Å; W153-L160 HydrophobicContact CE3-CB 3.86Å; W153-L160 HydrophobicContact CZ3-CB 4.22Å; W153-Y161 WeakPolarHBondContact CB-O 3.41Å; W153-L553 HydrophobicContact CH2-CD2 4.35Å; W153-L553 HydrophobicContact CZ2-CD2 3.74Å; W153-M561 HydrophobicContact CH2-CE 3.96Å
154	V	97.8	Very high	94.4	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	152	175.7	-59.9	0	0	0	0	111.4	F117 L123 F142 K143 I144 Y161 I166	F117-V154 HydrophobicContact CD1-CB 3.86Å; F117-V154 HydrophobicContact CD1-CG1 4.22Å; F117-V154 HydrophobicContact CD1-CG2 3.82Å; F117-V154 HydrophobicContact CD2-CG2 4.23Å; F117-V154 HydrophobicContact CE1-CB 3.54Å; F117-V154 HydrophobicContact CE1-CG1 4.33Å; F117-V154 HydrophobicContact CE1-CG2 3.67Å; F117-V154 HydrophobicContact CE2-CG2 4.05Å; F117-V154 HydrophobicContact CG-CG2 4.1Å; F117-V154 HydrophobicContact CZ-CB 4.04Å; F117-V154 HydrophobicContact CZ-CG2 3.77Å; L123-V154 HydrophobicContact CD1-CG1 3.9Å; F142-V154 HydrophobicContact CD2-CG1 4.11Å; F142-V154 HydrophobicContact CE2-CG1 3.99Å; K143-V154 WeakPolarHBondContact O-CA 3.35Å; I144-V154 HydrophobicContact CG1-CG1 4.4Å; V154-Y161 PolarHBondContact N-O 3.1Å; V154-Y161 PolarHBondContact O-N 3.18Å; V154-I166 HydrophobicContact CG2-CD1 4.12Å; V154-I166 HydrophobicContact CG2-CG1 3.87Å
155	E	96.5	Very high	94.3	Very high	44 Å²	44	41.4 Å²	41.4	21%	0.206	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.6	-179.7	-177.7	-166.4	116.5	0	0	111.1	F117 K143 V145 K159 L160	F117-E155 WeakPolarHBondContact CZ-O 3.27Å; K143-E155 HydrophobicContact CB-CB 4.21Å; K143-E155 IonicContact NZ-OE1 3.61Å; K143-E155 PolarHBondContact NZ-OE1 2.94Å; K143-E155 PolarHBondContact O-N 3.19Å; K143-E155 VanDerWaalsContact O-N 3.1Å; V145-E155 HydrophobicContact CG1-CB 4.28Å; V145-E155 HydrophobicContact CG2-CB 4.41Å; E155-K159 VanDerWaalsContact CA-O 3.31Å; E155-K159 WeakPolarHBondContact CA-O 3.48Å; E155-L160 HydrophobicContact CB-CD2 4.02Å; E155-L160 HydrophobicContact CG-CD2 4.18Å
156	A	95.3	Very high	94.4	Very high	1 Å²	1	40 Å²	40	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.6	169.7	0	0	0	0	0	109.3	F93 N115 F117 G158 K159 Y161	F93-A156 HydrophobicContact CB-CB 4.18Å; F93-A156 HydrophobicContact CD2-CB 3.72Å; F93-A156 HydrophobicContact CE2-CB 4.48Å; F93-A156 HydrophobicContact CG-CB 4.19Å; N115-A156 HydrophobicContact CB-CB 4.18Å; N115-A156 WeakPolarHBondContact OD1-CA 3.42Å; F117-A156 HydrophobicContact CE2-CB 3.62Å; F117-A156 HydrophobicContact CZ-CB 3.47Å; F117-A156 VanDerWaalsContact CZ-CB 3.47Å; A156-G158 PolarHBondContact O-N 3.1Å; A156-G158 VanDerWaalsContact O-N 3.14Å; A156-K159 PolarHBondContact N-O 3.32Å; A156-K159 WeakPolarHBondContact O-CB 3.41Å; A156-K159 PolarHBondContact O-N 3Å; A156-Y161 HydrophobicContact CB-CD2 4.37Å; A156-Y161 HydrophobicContact CB-CE2 4.01Å
157	H	92.8	Very high	94.4	Very high	94 Å²	94	34.7 Å²	34.7	44%	0.435	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	40.7	-179.9	-56.3	-67.4	0	0	0	114.2	F93 T94 N115 K159	F93-H157 PolarHBondContact O-NE2 3.48Å; F93-H157 VanDerWaalsContact O-NE2 3.08Å; T94-H157 PolarHBondContact O-NE2 3.29Å; T94-H157 VanDerWaalsContact O-NE2 3.16Å; N115-H157 PolarHBondContact ND2-CE1 3.4Å; N115-H157 VanDerWaalsContact ND2-CE1 3.25Å; N115-H157 PolarHBondContact OD1-N 3.19Å; N115-H157 VanDerWaalsContact OD1-N 3.15Å; H157-K159 PolarHBondContact O-N 3.09Å
158	G	91.4	Very high	94.6	Very high	59 Å²	59	34.4 Å²	34.4	61%	0.608	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.6	2.5	-178.7	0	0	0	0	0	115.3	A156	A156-G158 PolarHBondContact O-N 3.1Å; A156-G158 VanDerWaalsContact O-N 3.14Å
159	K	93	Very high	94.9	Very high	119 Å²	119	28.3 Å²	28.3	52%	0.517	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	137.6	172.8	-65.6	-179.5	-178	173.6	0	110.5	E155 A156 H157 Y161	E155-K159 VanDerWaalsContact CA-O 3.31Å; E155-K159 WeakPolarHBondContact CA-O 3.48Å; A156-K159 PolarHBondContact N-O 3.32Å; A156-K159 WeakPolarHBondContact O-CB 3.41Å; A156-K159 PolarHBondContact O-N 3Å; H157-K159 PolarHBondContact O-N 3.09Å; K159-Y161 HydrophobicContact CB-CE2 3.74Å
160	L	95.3	Very high	95.7	Very high	83 Å²	83	25.7 Å²	25.7	44%	0.435	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	136.7	179.5	-59.1	-176.7	0	0	0	110.6	V145 W153 E155	V145-L160 HydrophobicContact CG2-CD2 3.56Å; W153-L160 HydrophobicContact CE3-CB 3.86Å; W153-L160 HydrophobicContact CZ3-CB 4.22Å; E155-L160 HydrophobicContact CB-CD2 4.02Å; E155-L160 HydrophobicContact CG-CD2 4.18Å
161	Y	96.3	Very high	96.1	Very high	18 Å²	18	24.9 Å²	24.9	7%	0.071	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.2	175.9	-60.8	-87.2	0	0	0	110.2	F93 W153 V154 A156 K159 Q165 I166 F169	F93-Y161 HydrophobicContact CD2-CE2 4.4Å; F93-Y161 HydrophobicContact CE1-CE1 4.09Å; F93-Y161 AromaticContact CE1-CZ 3.84Å; F93-Y161 HydrophobicContact CE2-CD2 4.22Å; F93-Y161 HydrophobicContact CE2-CE1 4.37Å; F93-Y161 HydrophobicContact CE2-CE2 4Å; F93-Y161 HydrophobicContact CZ-CD1 4.14Å; F93-Y161 HydrophobicContact CZ-CD2 4.45Å; F93-Y161 AromaticContact CZ-CE1 3.68Å; F93-Y161 HydrophobicContact CZ-CE1 3.68Å; F93-Y161 HydrophobicContact CZ-CE2 4.05Å; F93-Y161 HydrophobicContact CZ-CG 4.5Å; F93-Y161 AromaticContact CZ-CZ 3.64Å; W153-Y161 WeakPolarHBondContact CB-O 3.41Å; V154-Y161 PolarHBondContact N-O 3.1Å; V154-Y161 PolarHBondContact O-N 3.18Å; A156-Y161 HydrophobicContact CB-CD2 4.37Å; A156-Y161 HydrophobicContact CB-CE2 4.01Å; K159-Y161 HydrophobicContact CB-CE2 3.74Å; Y161-Q165 VanDerWaalsContact CA-OE1 3.28Å; Y161-I166 HydrophobicContact CG-CD1 4.23Å; Y161-F169 HydrophobicContact CD1-CE2 4.06Å; Y161-F169 HydrophobicContact CD1-CZ 4.29Å; Y161-F169 HydrophobicContact CE1-CE2 4.34Å; Y161-F169 HydrophobicContact CE1-CZ 4.36Å
162	S	96.7	Very high	96.3	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.007	14%	0.137	C	C	.	.			trans	-73.5	152.1	171.4	76.3	0	0	0	0	110.4	S164 Q165 I166	S162-S164 PolarHBondContact O-N 3.21Å; S162-Q165 WeakPolarHBondContact O-CB 3.47Å; S162-Q165 PolarHBondContact O-N 2.84Å; S162-Q165 WeakPolarHBondContact OG-CG 3.42Å; S162-Q165 PolarHBondContact OG-N 3.04Å; S162-Q165 VanDerWaalsContact OG-N 3.1Å; S162-I166 PolarHBondContact O-N 2.68Å; S162-I166 VanDerWaalsContact O-N 3.09Å
163	P	97	Very high	96.3	Very high	8 Å²	8	26.9 Å²	26.9	5%	0.052	14%	0.142	C	C	.	.	H	α-helix	trans	-57.1	-32.2	173	-26.3	36.1	0	0	0	112.8	L123 I124 A152 I166 G167	L123-P163 HydrophobicContact CB-CB 4.26Å; L123-P163 HydrophobicContact CB-CG 3.81Å; I124-P163 HydrophobicContact CB-CB 4.07Å; I124-P163 HydrophobicContact CG1-CB 4.22Å; A152-P163 VanDerWaalsContact O-CD 3.24Å; A152-P163 WeakPolarHBondContact O-CD 3.42Å; A152-P163 WeakPolarHBondContact O-CG 3.43Å; P163-I166 PolarHBondContact O-N 3.34Å; P163-G167 PolarHBondContact O-N 3.35Å
164	S	96.4	Very high	96.3	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-64.5	-38.4	174.2	-46.4	0	0	0	0	112.2	S162 G167 A168 A204 A208	S162-S164 PolarHBondContact O-N 3.21Å; S164-G167 PolarHBondContact O-N 3.47Å; S164-A168 WeakPolarHBondContact O-CB 3.4Å; S164-A168 PolarHBondContact O-N 3.42Å; S164-A204 PolarHBondContact OG-O 3.1Å; S164-A208 WeakPolarHBondContact O-CA 3.32Å; S164-A208 WeakPolarHBondContact O-CB 3.27Å
165	Q	95.8	Very high	96.3	Very high	21 Å²	21	26.8 Å²	26.8	10%	0.098	14%	0.143	C	C	.	.	H	α-helix	trans	-65.5	-42.8	172.6	-73.6	175.6	-52.2	0	0	112	Y161 S162 G167 A168 F169 I211 M561	Y161-Q165 VanDerWaalsContact CA-OE1 3.28Å; S162-Q165 WeakPolarHBondContact O-CB 3.47Å; S162-Q165 PolarHBondContact O-N 2.84Å; S162-Q165 WeakPolarHBondContact OG-CG 3.42Å; S162-Q165 PolarHBondContact OG-N 3.04Å; S162-Q165 VanDerWaalsContact OG-N 3.1Å; Q165-G167 VanDerWaalsContact C-N 3.32Å; Q165-G167 PolarHBondContact O-N 2.9Å; Q165-A168 WeakPolarHBondContact O-CB 3.07Å; Q165-A168 PolarHBondContact O-N 3.16Å; Q165-F169 HydrophobicContact CB-CE2 4.38Å; Q165-F169 HydrophobicContact CB-CZ 4.35Å; Q165-F169 VanDerWaalsContact O-CD2 3.24Å; Q165-F169 WeakPolarHBondContact O-CD2 3.37Å; Q165-F169 VanDerWaalsContact O-CG 3.28Å; Q165-F169 WeakPolarHBondContact O-CG 3.15Å; Q165-F169 PolarHBondContact O-N 3.41Å; Q165-I211 HydrophobicContact CG-CD1 4.28Å; Q165-M561 VanDerWaalsContact CD-CE 3.42Å; Q165-M561 HydrophobicContact CG-CB 4.43Å; Q165-M561 HydrophobicContact CG-CE 3.92Å; Q165-M561 HydrophobicContact CG-CG 4Å; Q165-M561 HydrophobicContact CG-SD 3.29Å; Q165-M561 WeakPolarHBondContact CG-SD 3.42Å; Q165-M561 PolarHBondContact NE2-SD 3.06Å
166	I	98	Very high	96.2	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-61.5	-44.4	176.2	-57.5	-57.4	0	0	0	110.4	V91 F93 F117 T120 V154 Y161 S162 P163 A168 F169 V170	V91-I166 HydrophobicContact CB-CG2 4.11Å; V91-I166 HydrophobicContact CG2-CG2 3.82Å; F93-I166 HydrophobicContact CE2-CD1 4.22Å; F117-I166 HydrophobicContact CB-CG2 4.26Å; F117-I166 HydrophobicContact CD2-CD1 3.73Å; F117-I166 HydrophobicContact CE2-CD1 4.19Å; F117-I166 HydrophobicContact CG-CD1 4.4Å; T120-I166 HydrophobicContact CG2-CB 4.38Å; T120-I166 HydrophobicContact CG2-CG2 3.86Å; T120-I166 WeakPolarHBondContact OG1-CG2 3.49Å; V154-I166 HydrophobicContact CG2-CD1 4.12Å; V154-I166 HydrophobicContact CG2-CG1 3.87Å; Y161-I166 HydrophobicContact CG-CD1 4.23Å; S162-I166 PolarHBondContact O-N 2.68Å; S162-I166 VanDerWaalsContact O-N 3.09Å; P163-I166 PolarHBondContact O-N 3.34Å; I166-A168 VanDerWaalsContact C-N 3.32Å; I166-A168 PolarHBondContact O-N 3.11Å; I166-F169 HydrophobicContact CD1-CD2 4.09Å; I166-F169 HydrophobicContact CD1-CE2 4.08Å; I166-F169 PolarHBondContact O-N 3.37Å; I166-V170 PolarHBondContact O-N 3.49Å
167	G	97.6	Very high	96.3	Very high	6 Å²	6	27.9 Å²	27.9	6%	0.062	15%	0.149	C	C	.	.	H	α-helix	trans	-59.3	-40.9	173	0	0	0	0	0	112.6	P163 S164 Q165 F169 V170 L171	P163-G167 PolarHBondContact O-N 3.35Å; S164-G167 PolarHBondContact O-N 3.47Å; Q165-G167 VanDerWaalsContact C-N 3.32Å; Q165-G167 PolarHBondContact O-N 2.9Å; G167-F169 VanDerWaalsContact C-N 3.3Å; G167-F169 PolarHBondContact O-N 3.26Å; G167-V170 WeakPolarHBondContact O-CB 3.35Å; G167-V170 PolarHBondContact O-N 3.08Å; G167-V170 VanDerWaalsContact O-N 3.13Å; G167-L171 WeakPolarHBondContact O-CG 3.24Å; G167-L171 PolarHBondContact O-N 3.15Å
168	A	97.6	Very high	96.5	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-62.1	-36.1	177	0	0	0	0	0	112.6	S164 Q165 I166 V170 L171 M172 A208 I211	S164-A168 WeakPolarHBondContact O-CB 3.4Å; S164-A168 PolarHBondContact O-N 3.42Å; Q165-A168 WeakPolarHBondContact O-CB 3.07Å; Q165-A168 PolarHBondContact O-N 3.16Å; I166-A168 VanDerWaalsContact C-N 3.32Å; I166-A168 PolarHBondContact O-N 3.11Å; A168-V170 VanDerWaalsContact C-N 3.32Å; A168-V170 PolarHBondContact O-N 3.19Å; A168-L171 PolarHBondContact O-N 2.98Å; A168-M172 WeakPolarHBondContact O-CG 3.43Å; A168-M172 PolarHBondContact O-N 3.45Å; A168-A208 HydrophobicContact CB-CB 4.49Å; A168-A208 WeakPolarHBondContact CB-O 3.23Å; A168-I211 HydrophobicContact CB-CB 3.63Å; A168-I211 HydrophobicContact CB-CG2 3.46Å; A168-I211 VanDerWaalsContact CB-CG2 3.46Å
169	F	97.7	Very high	96.7	Very high	8 Å²	8	23 Å²	23	4%	0.035	11%	0.11	C	C	.	.	H	α-helix	trans	-63.9	-38.2	174.8	-57.2	-35.4	0	0	0	112	V91 F93 V101 Y161 Q165 I166 G167 M172 K173	V91-F169 HydrophobicContact CG1-CB 4.35Å; V91-F169 HydrophobicContact CG1-CD2 3.95Å; V91-F169 HydrophobicContact CG2-CB 3.97Å; F93-F169 HydrophobicContact CZ-CD2 4.22Å; F93-F169 AromaticContact CZ-CE2 3.7Å; F93-F169 HydrophobicContact CZ-CE2 3.7Å; F93-F169 HydrophobicContact CZ-CZ 4.46Å; V101-F169 HydrophobicContact CG2-CB 4.16Å; Y161-F169 HydrophobicContact CD1-CE2 4.06Å; Y161-F169 HydrophobicContact CD1-CZ 4.29Å; Y161-F169 HydrophobicContact CE1-CE2 4.34Å; Y161-F169 HydrophobicContact CE1-CZ 4.36Å; Q165-F169 HydrophobicContact CB-CE2 4.38Å; Q165-F169 HydrophobicContact CB-CZ 4.35Å; Q165-F169 VanDerWaalsContact O-CD2 3.24Å; Q165-F169 WeakPolarHBondContact O-CD2 3.37Å; Q165-F169 VanDerWaalsContact O-CG 3.28Å; Q165-F169 WeakPolarHBondContact O-CG 3.15Å; Q165-F169 PolarHBondContact O-N 3.41Å; I166-F169 HydrophobicContact CD1-CD2 4.09Å; I166-F169 HydrophobicContact CD1-CE2 4.08Å; I166-F169 PolarHBondContact O-N 3.37Å; G167-F169 VanDerWaalsContact C-N 3.3Å; G167-F169 PolarHBondContact O-N 3.26Å; F169-M172 HydrophobicContact CD1-CE 3.41Å; F169-M172 VanDerWaalsContact CD1-CE 3.41Å; F169-M172 HydrophobicContact CE1-CE 4.04Å; F169-M172 HydrophobicContact CG-CE 4.46Å; F169-K173 PolarHBondContact O-N 3.22Å
170	V	98.4	Very high	96.8	Very high	3 Å²	3	22 Å²	22	2%	0.018	11%	0.111	C	C	.	.	H	α-helix	trans	-67.5	-45	173	-178.8	0	0	0	0	110.8	L60 S65 V91 V101 I166 G167 A168 M172 K173 M174	L60-V170 HydrophobicContact CD1-CB 4.15Å; L60-V170 HydrophobicContact CD1-CG1 3.94Å; S65-V170 WeakPolarHBondContact OG-CG1 3.37Å; V91-V170 HydrophobicContact CG2-CG2 3.9Å; V101-V170 HydrophobicContact CG1-CG2 4.38Å; I166-V170 PolarHBondContact O-N 3.49Å; G167-V170 WeakPolarHBondContact O-CB 3.35Å; G167-V170 PolarHBondContact O-N 3.08Å; G167-V170 VanDerWaalsContact O-N 3.13Å; A168-V170 VanDerWaalsContact C-N 3.32Å; A168-V170 PolarHBondContact O-N 3.19Å; V170-M172 VanDerWaalsContact C-N 3.3Å; V170-M172 PolarHBondContact O-N 2.83Å; V170-K173 WeakPolarHBondContact O-CB 3.26Å; V170-K173 PolarHBondContact O-N 3.29Å; V170-K173 VanDerWaalsContact O-N 3.11Å; V170-M174 WeakPolarHBondContact O-CG 3.46Å; V170-M174 PolarHBondContact O-N 2.88Å; V170-M174 VanDerWaalsContact O-N 3.08Å
171	L	98.3	Very high	96.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-62.2	-35.2	177.7	-68.9	174	0	0	0	112.7	I58 L60 G167 A168 K173 M174 K175 I191 A208 L214	I58-L171 HydrophobicContact CB-CD2 4.43Å; I58-L171 HydrophobicContact CD1-CD2 4.15Å; I58-L171 HydrophobicContact CG2-CD2 3.68Å; L60-L171 HydrophobicContact CB-CD2 4.27Å; L60-L171 HydrophobicContact CD1-CD2 4.04Å; L60-L171 HydrophobicContact CD1-CG 4.18Å; L60-L171 HydrophobicContact CD2-CD1 4.2Å; L60-L171 HydrophobicContact CD2-CD2 4.2Å; L60-L171 HydrophobicContact CD2-CG 4.21Å; L60-L171 HydrophobicContact CG-CD2 4.39Å; G167-L171 WeakPolarHBondContact O-CG 3.24Å; G167-L171 PolarHBondContact O-N 3.15Å; A168-L171 PolarHBondContact O-N 2.98Å; L171-K173 VanDerWaalsContact C-N 3.34Å; L171-K173 PolarHBondContact O-N 3.32Å; L171-M174 WeakPolarHBondContact O-CB 3.36Å; L171-M174 PolarHBondContact O-N 3.01Å; L171-K175 WeakPolarHBondContact O-CB 3.47Å; L171-K175 PolarHBondContact O-N 3.5Å; L171-I191 HydrophobicContact CD1-CD1 3.86Å; L171-I191 HydrophobicContact CD2-CD1 4.12Å; L171-A208 HydrophobicContact CD1-CB 3.94Å; L171-L214 HydrophobicContact CB-CD1 4.49Å
172	M	96.1	Very high	96.6	Very high	32 Å²	32	23.9 Å²	23.9	16%	0.158	12%	0.116	C	C	.	.	H	α-helix	trans	-62.7	-39.5	173.3	-78.3	-168.3	-71.6	0	0	112.1	A168 F169 V170 M174 K175 E176 A565	A168-M172 WeakPolarHBondContact O-CG 3.43Å; A168-M172 PolarHBondContact O-N 3.45Å; F169-M172 HydrophobicContact CD1-CE 3.41Å; F169-M172 VanDerWaalsContact CD1-CE 3.41Å; F169-M172 HydrophobicContact CE1-CE 4.04Å; F169-M172 HydrophobicContact CG-CE 4.46Å; V170-M172 VanDerWaalsContact C-N 3.3Å; V170-M172 PolarHBondContact O-N 2.83Å; M172-M174 VanDerWaalsContact C-N 3.32Å; M172-M174 PolarHBondContact O-N 3.27Å; M172-K175 PolarHBondContact O-N 3.15Å; M172-E176 WeakPolarHBondContact O-CB 3.38Å; M172-E176 PolarHBondContact O-N 2.73Å; M172-A565 HydrophobicContact CE-CB 4.19Å; M172-A565 HydrophobicContact SD-CB 4.22Å
173	K	96.6	Very high	96.5	Very high	26 Å²	26	27.4 Å²	27.4	11%	0.113	15%	0.152	C	C	.	.	H	α-helix	trans	-65.9	-35.1	173.5	-176.2	66.3	171.8	-173.6	0	111.8	E82 T87 V101 F169 V170 L171 T177	E82-K173 IonicContact OE1-NZ 2.66Å; E82-K173 PolarHBondContact OE1-NZ 3.31Å; E82-K173 IonicContact OE2-NZ 3.48Å; T87-K173 HydrophobicContact CG2-CG 4.2Å; V101-K173 HydrophobicContact CB-CB 4.48Å; V101-K173 HydrophobicContact CG1-CB 3.88Å; V101-K173 HydrophobicContact CG1-CG 4.32Å; F169-K173 PolarHBondContact O-N 3.22Å; V170-K173 WeakPolarHBondContact O-CB 3.26Å; V170-K173 PolarHBondContact O-N 3.29Å; V170-K173 VanDerWaalsContact O-N 3.11Å; L171-K173 VanDerWaalsContact C-N 3.34Å; L171-K173 PolarHBondContact O-N 3.32Å; K173-T177 WeakPolarHBondContact O-CB 3.19Å; K173-T177 PolarHBondContact O-N 2.98Å; K173-T177 PolarHBondContact O-OG1 3.12Å
174	M	98.3	Very high	96.2	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-68.4	-42.1	175	-63	-60	90.1	0	0	111.5	I58 V67 T87 V170 L171 M172 T177 A178	I58-M174 HydrophobicContact CD1-CB 4.07Å; I58-M174 HydrophobicContact CG1-CB 4.35Å; I58-M174 HydrophobicContact CG2-CB 4.07Å; I58-M174 HydrophobicContact CG2-CG 3.9Å; V67-M174 HydrophobicContact CB-CB 4.25Å; V67-M174 HydrophobicContact CB-SD 4.13Å; V67-M174 HydrophobicContact CG1-SD 4.12Å; T87-M174 HydrophobicContact CG2-CE 3.8Å; T87-M174 WeakPolarHBondContact OG1-CE 3.44Å; V170-M174 WeakPolarHBondContact O-CG 3.46Å; V170-M174 PolarHBondContact O-N 2.88Å; V170-M174 VanDerWaalsContact O-N 3.08Å; L171-M174 WeakPolarHBondContact O-CB 3.36Å; L171-M174 PolarHBondContact O-N 3.01Å; M172-M174 VanDerWaalsContact C-N 3.32Å; M172-M174 PolarHBondContact O-N 3.27Å; M174-T177 WeakPolarHBondContact O-CB 3.45Å; M174-T177 PolarHBondContact O-N 3.46Å; M174-A178 PolarHBondContact O-N 3Å
175	K	96.5	Very high	95.9	Very high	35 Å²	35	36.2 Å²	36.2	15%	0.152	20%	0.199	C	C	.	.	H	α-helix	trans	-60.4	-50.3	172.8	179	-179.4	173.2	175.9	0	111.2	L171 M172 T177 A178 E179 A186 G213 L214	L171-K175 WeakPolarHBondContact O-CB 3.47Å; L171-K175 PolarHBondContact O-N 3.5Å; M172-K175 PolarHBondContact O-N 3.15Å; K175-T177 VanDerWaalsContact C-N 3.26Å; K175-T177 PolarHBondContact O-N 3.41Å; K175-A178 PolarHBondContact O-N 3.19Å; K175-A178 VanDerWaalsContact O-N 3.08Å; K175-E179 WeakPolarHBondContact CE-OE1 3.29Å; K175-E179 HydrophobicContact CG-CG 4.3Å; K175-E179 VanDerWaalsContact O-CG 3.31Å; K175-E179 WeakPolarHBondContact O-CG 3.18Å; K175-E179 PolarHBondContact O-N 3.43Å; K175-A186 VanDerWaalsContact CE-O 3.28Å; K175-A186 WeakPolarHBondContact CE-O 3.31Å; K175-A186 HydrophobicContact CG-CB 4.37Å; K175-G213 PolarHBondContact NZ-O 2.77Å; K175-L214 HydrophobicContact CB-CD2 4.32Å; K175-L214 HydrophobicContact CD-CD2 3.82Å; K175-L214 HydrophobicContact CD-CG 4.2Å; K175-L214 HydrophobicContact CG-CD2 4.05Å
176	E	94.9	Very high	95.7	Very high	61 Å²	61	35.2 Å²	35.2	29%	0.285	19%	0.194	S	C	.	.	H	α-helix	trans	-55.8	-43.2	176.4	-172.7	-164.8	174.4	0	0	111.1	M172 A178 E179 N180 K576	M172-E176 WeakPolarHBondContact O-CB 3.38Å; M172-E176 PolarHBondContact O-N 2.73Å; E176-A178 VanDerWaalsContact C-N 3.35Å; E176-A178 PolarHBondContact O-N 2.9Å; E176-E179 PolarHBondContact O-N 3.49Å; E176-N180 WeakPolarHBondContact O-CB 3.37Å; E176-N180 PolarHBondContact O-N 2.9Å; E176-N180 PolarHBondContact O-ND2 2.91Å; E176-K576 IonicContact OE1-NZ 3.51Å
177	T	97.5	Very high	95.4	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.043	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-45.4	176.8	-60.7	0	0	0	0	111.5	V67 L78 E79 N80 K173 M174 K175 Y181	V67-T177 HydrophobicContact CG1-CG2 3.78Å; L78-T177 HydrophobicContact CB-CG2 4.09Å; E79-T177 VanDerWaalsContact O-CG2 3.31Å; E79-T177 WeakPolarHBondContact O-CG2 3.39Å; N80-T177 HydrophobicContact CB-CG2 4.38Å; K173-T177 WeakPolarHBondContact O-CB 3.19Å; K173-T177 PolarHBondContact O-N 2.98Å; K173-T177 PolarHBondContact O-OG1 3.12Å; M174-T177 WeakPolarHBondContact O-CB 3.45Å; M174-T177 PolarHBondContact O-N 3.46Å; K175-T177 VanDerWaalsContact C-N 3.26Å; K175-T177 PolarHBondContact O-N 3.41Å; T177-Y181 PolarHBondContact O-N 2.88Å
178	A	97.1	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.5	-40.5	176.1	0	0	0	0	0	112.7	V56 V67 L78 M174 K175 E176 Y181 L182 A186	V56-A178 HydrophobicContact CG1-CB 3.66Å; V67-A178 HydrophobicContact CG2-CB 4.25Å; L78-A178 HydrophobicContact CD1-CB 4.09Å; M174-A178 PolarHBondContact O-N 3Å; K175-A178 PolarHBondContact O-N 3.19Å; K175-A178 VanDerWaalsContact O-N 3.08Å; E176-A178 VanDerWaalsContact C-N 3.35Å; E176-A178 PolarHBondContact O-N 2.9Å; A178-Y181 PolarHBondContact O-N 3.5Å; A178-L182 WeakPolarHBondContact O-CB 3.13Å; A178-L182 VanDerWaalsContact O-CG 3.22Å; A178-L182 WeakPolarHBondContact O-CG 3.46Å; A178-L182 PolarHBondContact O-N 2.97Å; A178-A186 HydrophobicContact CB-CB 4.3Å
179	E	95.2	Very high	95.4	Very high	50 Å²	50	42 Å²	42	23%	0.234	22%	0.222	C	C	.	.	H	α-helix	trans	-65.3	-43	179.4	-71.7	179.2	157.6	0	0	112.3	K175 E176 Y181 L182 G183 T185 A186	K175-E179 WeakPolarHBondContact CE-OE1 3.29Å; K175-E179 HydrophobicContact CG-CG 4.3Å; K175-E179 VanDerWaalsContact O-CG 3.31Å; K175-E179 WeakPolarHBondContact O-CG 3.18Å; K175-E179 PolarHBondContact O-N 3.43Å; E176-E179 PolarHBondContact O-N 3.49Å; E179-Y181 PolarHBondContact O-N 3.44Å; E179-L182 PolarHBondContact O-N 3.41Å; E179-G183 PolarHBondContact O-N 3.43Å; E179-T185 WeakPolarHBondContact OE1-CA 3.38Å; E179-T185 VanDerWaalsContact OE1-CG2 3.32Å; E179-T185 WeakPolarHBondContact OE1-CG2 3.5Å; E179-A186 HydrophobicContact CG-CB 3.78Å; E179-A186 VanDerWaalsContact CG-N 3.34Å; E179-A186 PolarHBondContact OE1-N 2.8Å
180	N	94.9	Very high	95.4	Very high	99 Å²	99	41.6 Å²	41.6	53%	0.529	22%	0.221	S	C	.	.	H	α-helix	trans	-59.9	-35.5	175.1	-71.5	-25.1	0	0	0	111.7	E176	E176-N180 WeakPolarHBondContact O-CB 3.37Å; E176-N180 PolarHBondContact O-N 2.9Å; E176-N180 PolarHBondContact O-ND2 2.91Å
181	Y	95.6	Very high	95.3	Very high	93 Å²	93	41.5 Å²	41.5	37%	0.365	22%	0.22	S	C	.	.	H	α-helix	trans	-76.5	-45.5	177.8	-175.4	-96.1	0	0	0	112.9	V69 E71 K76 L78 T177 A178 E179	V69-Y181 HydrophobicContact CG2-CD1 4.36Å; V69-Y181 HydrophobicContact CG2-CE1 4.28Å; E71-Y181 VanDerWaalsContact OE1-CE1 3.25Å; E71-Y181 WeakPolarHBondContact OE1-CE1 3.46Å; E71-Y181 VanDerWaalsContact OE1-CZ 3.27Å; E71-Y181 PolarHBondContact OE1-OH 2.94Å; K76-Y181 WeakPolarHBondContact CE-OH 3.49Å; K76-Y181 PolarHBondContact NZ-OH 3.41Å; L78-Y181 HydrophobicContact CD1-CD1 4.1Å; L78-Y181 HydrophobicContact CD1-CG 4.04Å; L78-Y181 HydrophobicContact CD2-CD1 3.52Å; L78-Y181 HydrophobicContact CD2-CD2 3.81Å; L78-Y181 HydrophobicContact CD2-CE1 3.77Å; L78-Y181 HydrophobicContact CD2-CE2 4.04Å; L78-Y181 HydrophobicContact CD2-CG 3.56Å; L78-Y181 HydrophobicContact CG-CD1 4.47Å; L78-Y181 HydrophobicContact CG-CG 4.36Å; T177-Y181 PolarHBondContact O-N 2.88Å; A178-Y181 PolarHBondContact O-N 3.5Å; E179-Y181 PolarHBondContact O-N 3.44Å
182	L	93.6	Very high	95.3	Very high	47 Å²	47	41.5 Å²	41.5	25%	0.246	22%	0.22	C	C	.	.	H	α-helix	trans	-76.2	-23.1	-176.1	-67.8	170.6	0	0	0	113.2	A54 V69 A178 E179 H184 A186	A54-L182 HydrophobicContact CB-CD1 3.89Å; V69-L182 HydrophobicContact CG1-CD1 4.5Å; A178-L182 WeakPolarHBondContact O-CB 3.13Å; A178-L182 VanDerWaalsContact O-CG 3.22Å; A178-L182 WeakPolarHBondContact O-CG 3.46Å; A178-L182 PolarHBondContact O-N 2.97Å; E179-L182 PolarHBondContact O-N 3.41Å; L182-H184 PolarHBondContact O-CD2 3.07Å; L182-H184 PolarHBondContact O-N 2.89Å; L182-A186 HydrophobicContact CD1-CB 4.46Å
183	G	92.9	Very high	95.2	Very high	74 Å²	74	40 Å²	40	76%	0.763	21%	0.212	S	C	*	.	S	Bend	trans	73.1	9	-174.2	0	0	0	0	0	114.2	E179	E179-G183 PolarHBondContact O-N 3.43Å
184	H	91.3	Very high	94.9	Very high	95 Å²	95	38.7 Å²	38.7	44%	0.44	21%	0.207	S	C	.	.	S	Bend	trans	-148.2	166.8	176.1	67.2	70.5	0	0	0	111.2	L182	L182-H184 PolarHBondContact O-CD2 3.07Å; L182-H184 PolarHBondContact O-N 2.89Å
185	T	89.4	Confident	94.4	Very high	101 Å²	101	38.7 Å²	38.7	62%	0.62	21%	0.207	S	C	*	.			trans	-60	134.9	-179.2	-54.2	0	0	0	0	112.5	E179	E179-T185 WeakPolarHBondContact OE1-CA 3.38Å; E179-T185 VanDerWaalsContact OE1-CG2 3.32Å; E179-T185 WeakPolarHBondContact OE1-CG2 3.5Å
186	A	91.9	Very high	93.7	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.			trans	-99.1	102.8	174.6	0	0	0	0	0	108.9	V56 K175 A178 E179 L182 L214	V56-A186 HydrophobicContact CG1-CB 3.87Å; K175-A186 VanDerWaalsContact CE-O 3.28Å; K175-A186 WeakPolarHBondContact CE-O 3.31Å; K175-A186 HydrophobicContact CG-CB 4.37Å; A178-A186 HydrophobicContact CB-CB 4.3Å; E179-A186 HydrophobicContact CG-CB 3.78Å; E179-A186 VanDerWaalsContact CG-N 3.34Å; E179-A186 PolarHBondContact OE1-N 2.8Å; L182-A186 HydrophobicContact CD1-CB 4.46Å; A186-L214 WeakPolarHBondContact O-CD2 3.42Å
187	K	92.9	Very high	93.2	Very high	139 Å²	139	36.6 Å²	36.6	60%	0.604	20%	0.196	S	C	*	.			trans	-95.2	-36.4	-174.4	-171.4	175.2	179.8	-178.8	0	113.4	N215	K187-N215 WeakPolarHBondContact O-CB 3.38Å; K187-N215 PolarHBondContact O-N 2.9Å
188	N	96.4	Very high	92.2	Very high	11 Å²	11	38 Å²	38	6%	0.059	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	140.1	-171.4	-57.3	-55	0	0	0	110.5	K52 V55 V56 N215 L217	K52-N188 PolarHBondContact O-ND2 3.13Å; V55-N188 WeakPolarHBondContact CA-O 3.37Å; V55-N188 HydrophobicContact CB-CB 4.47Å; V55-N188 HydrophobicContact CG1-CB 4.43Å; V55-N188 HydrophobicContact CG2-CB 4.02Å; V56-N188 WeakPolarHBondContact CG2-O 3.45Å; V56-N188 PolarHBondContact N-O 3.32Å; N188-N215 WeakPolarHBondContact CA-O 3.36Å; N188-N215 PolarHBondContact OD1-ND2 2.9Å; N188-L217 HydrophobicContact CB-CD1 3.78Å; N188-L217 HydrophobicContact CB-CG 4.1Å
189	A	97.4	Very high	91.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	150.7	179.1	0	0	0	0	0	113.3	V56 I58 I191 L214 N215 L217	V56-A189 HydrophobicContact CG2-CB 3.67Å; V56-A189 CarbonylContact O-C 2.88Å; V56-A189 VanDerWaalsContact O-CA 3.23Å; V56-A189 WeakPolarHBondContact O-CA 3.33Å; I58-A189 HydrophobicContact CD1-CB 4.29Å; A189-I191 HydrophobicContact CB-CG1 4.23Å; A189-L214 HydrophobicContact CB-CB 4.23Å; A189-L214 HydrophobicContact CB-CD1 3.93Å; A189-L214 HydrophobicContact CB-CD2 4.19Å; A189-L214 HydrophobicContact CB-CG 4.35Å; A189-N215 PolarHBondContact N-O 3.25Å; A189-L217 PolarHBondContact O-N 3.47Å
190	V	97.7	Very high	90.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.8	158.1	176.7	0	0	0	0	107.1	V55 V56 I58 R218 I220 A421 Q424 L428	V55-V190 HydrophobicContact CG1-CG2 3.98Å; V56-V190 PolarHBondContact O-N 3.43Å; I58-V190 PolarHBondContact N-O 2.83Å; V190-R218 WeakPolarHBondContact CA-O 3.45Å; V190-R218 HydrophobicContact CG1-CB 4.47Å; V190-R218 HydrophobicContact CG2-CB 4.36Å; V190-I220 HydrophobicContact CG1-CB 4.1Å; V190-I220 HydrophobicContact CG1-CG2 3.58Å; V190-A421 HydrophobicContact CB-CB 4.48Å; V190-A421 HydrophobicContact CG1-CB 4.11Å; V190-Q424 HydrophobicContact CG1-CB 4.27Å; V190-Q424 HydrophobicContact CG1-CG 4.1Å; V190-Q424 HydrophobicContact CG2-CG 4.32Å; V190-L428 HydrophobicContact CG2-CD1 3.9Å
191	I	97.9	Very high	90.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	139.1	-176.8	-57.5	177.9	0	0	0	109.4	I58 L60 L171 A189 T205 V216 R218 V219 I220	I58-I191 WeakPolarHBondContact O-CA 3.48Å; L60-I191 HydrophobicContact CB-CG2 4.05Å; L60-I191 HydrophobicContact CD2-CG2 4.49Å; L171-I191 HydrophobicContact CD1-CD1 3.86Å; L171-I191 HydrophobicContact CD2-CD1 4.12Å; A189-I191 HydrophobicContact CB-CG1 4.23Å; I191-T205 HydrophobicContact CG2-CG2 3.82Å; I191-V216 HydrophobicContact CD1-CG1 4.27Å; I191-V216 HydrophobicContact CD1-CG2 3.7Å; I191-V216 HydrophobicContact CG1-CG1 4.37Å; I191-R218 PolarHBondContact N-O 2.89Å; I191-R218 VanDerWaalsContact N-O 3.14Å; I191-V219 CarbonylContact O-C 3.59Å; I191-V219 VanDerWaalsContact O-CA 3.28Å; I191-V219 WeakPolarHBondContact O-CA 3.49Å; I191-I220 PolarHBondContact O-N 2.91Å
192	T	97.1	Very high	89.9	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	150.8	-178.5	67.6	0	0	0	0	113.5	I58 D59 L60 I220 A225 V417 A421	I58-T192 PolarHBondContact O-N 2.7Å; D59-T192 VanDerWaalsContact CA-OG1 3.28Å; D59-T192 WeakPolarHBondContact CA-OG1 3.45Å; D59-T192 PolarHBondContact OD1-OG1 3.11Å; L60-T192 PolarHBondContact N-OG1 3.21Å; T192-I220 CarbonylContact C-O 3.5Å; T192-I220 VanDerWaalsContact CA-O 3.27Å; T192-I220 WeakPolarHBondContact CA-O 3.33Å; T192-I220 HydrophobicContact CG2-CG2 3.81Å; T192-A225 HydrophobicContact CG2-CB 4.47Å; T192-V417 HydrophobicContact CG2-CG1 3.39Å; T192-A421 HydrophobicContact CG2-CB 3.82Å
193	V	93.9	Very high	89.5	Confident	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	154.1	170.5	-68	0	0	0	0	110.8	F197 R202 T205 V219 I220 N221 E222	V193-F197 HydrophobicContact CB-CD2 3.81Å; V193-F197 HydrophobicContact CB-CE2 4.4Å; V193-F197 HydrophobicContact CB-CG 4.34Å; V193-F197 HydrophobicContact CG1-CD2 3.96Å; V193-F197 HydrophobicContact CG1-CE2 4.33Å; V193-R202 HydrophobicContact CG2-CG 4.32Å; V193-T205 HydrophobicContact CG1-CG2 3.7Å; V193-V219 HydrophobicContact CB-CG1 4.04Å; V193-V219 HydrophobicContact CG1-CG1 3.49Å; V193-V219 VanDerWaalsContact CG1-CG1 3.49Å; V193-V219 HydrophobicContact CG2-CG1 3.38Å; V193-I220 PolarHBondContact N-O 3.28Å; V193-N221 CarbonylContact O-C 3.47Å; V193-N221 WeakPolarHBondContact O-CA 3.37Å; V193-E222 WeakPolarHBondContact O-CG 3.49Å; V193-E222 PolarHBondContact O-N 2.92Å
194	P	91.7	Very high	89.5	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.			trans	-54.4	140.3	170	-29.1	39.9	0	0	0	110.7	Y196 F197 E222 T249 D251	P194-Y196 PolarHBondContact O-N 3.48Å; P194-F197 HydrophobicContact CB-CD1 3.56Å; P194-F197 HydrophobicContact CB-CE1 3.84Å; P194-F197 HydrophobicContact CB-CG 4.19Å; P194-F197 HydrophobicContact CG-CD1 3.64Å; P194-F197 HydrophobicContact CG-CE1 3.4Å; P194-F197 VanDerWaalsContact CG-CE1 3.4Å; P194-F197 HydrophobicContact CG-CE2 4.43Å; P194-F197 HydrophobicContact CG-CG 4.28Å; P194-F197 HydrophobicContact CG-CZ 3.84Å; P194-F197 WeakPolarHBondContact O-CB 3.49Å; P194-F197 PolarHBondContact O-N 3.29Å; P194-F197 VanDerWaalsContact O-N 3.08Å; P194-E222 VanDerWaalsContact CD-OE1 3.29Å; P194-E222 WeakPolarHBondContact CD-OE1 3.39Å; P194-T249 HydrophobicContact CB-CG2 4.16Å; P194-T249 HydrophobicContact CG-CG2 3.7Å; P194-D251 WeakPolarHBondContact CB-OD2 3.46Å
195	A	85.7	Confident	89.6	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-34.4	-176.5	0	0	0	0	0	111.6	F197 R202 N221 P223 D251 T267	A195-F197 VanDerWaalsContact C-N 3.27Å; A195-F197 PolarHBondContact O-N 3.46Å; A195-R202 PolarHBondContact O-NH2 3.38Å; A195-N221 HydrophobicContact CB-CB 4.11Å; A195-P223 HydrophobicContact CB-CG 3.66Å; A195-D251 PolarHBondContact N-OD1 3.22Å; A195-D251 VanDerWaalsContact N-OD1 3.07Å; A195-T267 HydrophobicContact CB-CG2 4.49Å; A195-T267 VanDerWaalsContact CB-OG1 3.32Å; A195-T267 WeakPolarHBondContact CB-OG1 3.3Å
196	Y	82.3	Confident	89.7	Confident	50 Å²	50	20.4 Å²	20.4	20%	0.196	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	9.7	-179.7	-141.7	-112.6	0	0	0	114.7	P194 D251 T271 P442 L443	P194-Y196 PolarHBondContact O-N 3.48Å; Y196-D251 PolarHBondContact N-OD1 2.87Å; Y196-T271 HydrophobicContact CD1-CG2 4.16Å; Y196-T271 WeakPolarHBondContact O-CG2 3.48Å; Y196-P442 HydrophobicContact CD2-CB 4Å; Y196-P442 HydrophobicContact CE2-CB 4.39Å; Y196-L443 HydrophobicContact CE1-CD2 4.33Å; Y196-L443 HydrophobicContact CE2-CD2 4.23Å; Y196-L443 WeakPolarHBondContact OH-CD2 3.36Å
197	F	83.9	Confident	89.7	Confident	3 Å²	3	20.6 Å²	20.6	1%	0.013	10%	0.095	C	C	.	.			trans	-63.7	134.5	171.3	-93.9	22.2	0	0	0	111.8	K121 I124 V193 P194 A195 Q201 R202 T249 T271	K121-F197 HydrophobicContact CG-CZ 4.19Å; I124-F197 HydrophobicContact CG2-CE2 3.95Å; I124-F197 HydrophobicContact CG2-CZ 4.07Å; V193-F197 HydrophobicContact CB-CD2 3.81Å; V193-F197 HydrophobicContact CB-CE2 4.4Å; V193-F197 HydrophobicContact CB-CG 4.34Å; V193-F197 HydrophobicContact CG1-CD2 3.96Å; V193-F197 HydrophobicContact CG1-CE2 4.33Å; P194-F197 HydrophobicContact CB-CD1 3.56Å; P194-F197 HydrophobicContact CB-CE1 3.84Å; P194-F197 HydrophobicContact CB-CG 4.19Å; P194-F197 HydrophobicContact CG-CD1 3.64Å; P194-F197 HydrophobicContact CG-CE1 3.4Å; P194-F197 VanDerWaalsContact CG-CE1 3.4Å; P194-F197 HydrophobicContact CG-CE2 4.43Å; P194-F197 HydrophobicContact CG-CG 4.28Å; P194-F197 HydrophobicContact CG-CZ 3.84Å; P194-F197 WeakPolarHBondContact O-CB 3.49Å; P194-F197 PolarHBondContact O-N 3.29Å; P194-F197 VanDerWaalsContact O-N 3.08Å; A195-F197 VanDerWaalsContact C-N 3.27Å; A195-F197 PolarHBondContact O-N 3.46Å; F197-Q201 HydrophobicContact CB-CB 4.12Å; F197-Q201 HydrophobicContact CD1-CB 4.36Å; F197-Q201 HydrophobicContact CD2-CB 3.35Å; F197-Q201 HydrophobicContact CD2-CG 4.45Å; F197-Q201 HydrophobicContact CE2-CB 3.72Å; F197-Q201 HydrophobicContact CG-CB 3.71Å; F197-Q201 HydrophobicContact CZ-CB 4.35Å; F197-R202 HydrophobicContact CB-CG 4.1Å; F197-R202 PolarHBondContact O-NE 3.26Å; F197-T249 HydrophobicContact CE1-CG2 4.36Å; F197-T271 HydrophobicContact CD1-CG2 4.21Å
198	N	77.3	Confident	89.9	Confident	36 Å²	36	14 Å²	14	19%	0.193	7%	0.066	C	C	.	.			trans	-77	173.8	171.4	72.6	44.5	0	0	0	111.5	S200 Q201 R202	N198-S200 VanDerWaalsContact C-N 3.34Å; N198-S200 PolarHBondContact O-N 3.28Å; N198-S200 WeakPolarHBondContact OD1-CB 3.48Å; N198-S200 PolarHBondContact OD1-N 2.98Å; N198-Q201 VanDerWaalsContact N-OE1 3.13Å; N198-Q201 PolarHBondContact ND2-OE1 3.4Å; N198-Q201 PolarHBondContact O-N 3.24Å; N198-Q201 WeakPolarHBondContact OD1-CG 3.42Å; N198-Q201 PolarHBondContact OD1-N 3.05Å; N198-Q201 VanDerWaalsContact OD1-N 3.11Å; N198-R202 WeakPolarHBondContact O-CG 3.5Å; N198-R202 PolarHBondContact O-N 2.65Å; N198-R202 VanDerWaalsContact O-N 3.08Å
199	D	76.4	Confident	89.8	Confident	16 Å²	16	13.5 Å²	13.5	9%	0.086	6%	0.063	C	C	.	.	H	α-helix	trans	-61.5	-36.9	-174.3	-165.6	48.7	0	0	0	113.2	R202 Q203 S549	D199-R202 PolarHBondContact O-N 3.31Å; D199-Q203 PolarHBondContact O-N 3.39Å; D199-S549 VanDerWaalsContact C-CB 3.46Å; D199-S549 WeakPolarHBondContact CB-OG 3.46Å; D199-S549 WeakPolarHBondContact O-CB 3.43Å; D199-S549 WeakPolarHBondContact OD2-CB 3.39Å; D199-S549 PolarHBondContact OD2-N 3.01Å; D199-S549 PolarHBondContact OD2-OG 3.34Å
200	S	81.6	Confident	89.7	Confident	24 Å²	24	17.9 Å²	17.9	17%	0.168	8%	0.084	C	C	.	.	H	α-helix	trans	-68	-39	178.6	-174.1	0	0	0	0	112.3	N198 Q203 A204 S549 S550	N198-S200 VanDerWaalsContact C-N 3.34Å; N198-S200 PolarHBondContact O-N 3.28Å; N198-S200 WeakPolarHBondContact OD1-CB 3.48Å; N198-S200 PolarHBondContact OD1-N 2.98Å; S200-Q203 PolarHBondContact O-N 3.37Å; S200-A204 VanDerWaalsContact O-CB 3.25Å; S200-A204 WeakPolarHBondContact O-CB 3.4Å; S200-A204 PolarHBondContact O-N 2.83Å; S200-S549 PolarHBondContact N-OG 3.34Å; S200-S549 VanDerWaalsContact N-OG 3.1Å; S200-S550 PolarHBondContact OG-O 3.02Å
201	Q	87.6	Confident	89.5	Confident	4 Å²	4	18.1 Å²	18.1	2%	0.019	9%	0.085	C	C	.	.	H	α-helix	trans	-70.1	-37.9	177.4	-56.7	177.2	-75.3	0	0	111.8	I124 F197 N198 T205	I124-Q201 WeakPolarHBondContact O-CG 3.41Å; F197-Q201 HydrophobicContact CB-CB 4.12Å; F197-Q201 HydrophobicContact CD1-CB 4.36Å; F197-Q201 HydrophobicContact CD2-CB 3.35Å; F197-Q201 HydrophobicContact CD2-CG 4.45Å; F197-Q201 HydrophobicContact CE2-CB 3.72Å; F197-Q201 HydrophobicContact CG-CB 3.71Å; F197-Q201 HydrophobicContact CZ-CB 4.35Å; N198-Q201 VanDerWaalsContact N-OE1 3.13Å; N198-Q201 PolarHBondContact ND2-OE1 3.4Å; N198-Q201 PolarHBondContact O-N 3.24Å; N198-Q201 WeakPolarHBondContact OD1-CG 3.42Å; N198-Q201 PolarHBondContact OD1-N 3.05Å; N198-Q201 VanDerWaalsContact OD1-N 3.11Å; Q201-T205 WeakPolarHBondContact O-CB 3.49Å; Q201-T205 PolarHBondContact O-N 2.91Å; Q201-T205 PolarHBondContact O-OG1 3.18Å
202	R	88.4	Confident	89.4	Confident	34 Å²	34	18.3 Å²	18.3	13%	0.128	9%	0.086	C	C	.	.	H	α-helix	trans	-62.6	-48.3	173.6	-71	175.5	-179	-85.4	-6.5	111	V193 A195 F197 N198 D199 T205 K206 N221	V193-R202 HydrophobicContact CG2-CG 4.32Å; A195-R202 PolarHBondContact O-NH2 3.38Å; F197-R202 HydrophobicContact CB-CG 4.1Å; F197-R202 PolarHBondContact O-NE 3.26Å; N198-R202 WeakPolarHBondContact O-CG 3.5Å; N198-R202 PolarHBondContact O-N 2.65Å; N198-R202 VanDerWaalsContact O-N 3.08Å; D199-R202 PolarHBondContact O-N 3.31Å; R202-T205 PolarHBondContact O-N 3.15Å; R202-K206 PolarHBondContact O-N 3.37Å; R202-N221 VanDerWaalsContact CZ-OD1 3.23Å; R202-N221 PolarHBondContact NH1-OD1 3.37Å; R202-N221 PolarHBondContact NH2-OD1 3.36Å
203	Q	86.9	Confident	89.2	Confident	43 Å²	43	20.1 Å²	20.1	20%	0.201	11%	0.105	C	C	.	.	H	α-helix	trans	-63.8	-46.1	177.7	-174.2	62.7	43.1	0	0	111.6	D199 S200 T205 K206 D207 S549	D199-Q203 PolarHBondContact O-N 3.39Å; S200-Q203 PolarHBondContact O-N 3.37Å; Q203-T205 PolarHBondContact O-N 3.27Å; Q203-K206 CarbonylContact O-C 3.49Å; Q203-K206 WeakPolarHBondContact O-CA 3.21Å; Q203-K206 WeakPolarHBondContact O-CB 3.19Å; Q203-K206 PolarHBondContact O-N 2.91Å; Q203-D207 PolarHBondContact NE2-OD1 3.01Å; Q203-D207 PolarHBondContact O-N 3.03Å; Q203-S549 VanDerWaalsContact CG-O 3.32Å; Q203-S549 WeakPolarHBondContact CG-O 3.42Å
204	A	90.9	Very high	89.2	Confident	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-59.8	-33.2	178.3	0	0	0	0	0	112.6	I124 S164 S200 A208	I124-A204 HydrophobicContact CD1-CB 4.33Å; I124-A204 HydrophobicContact CG1-CB 3.66Å; S164-A204 PolarHBondContact OG-O 3.1Å; S200-A204 VanDerWaalsContact O-CB 3.25Å; S200-A204 WeakPolarHBondContact O-CB 3.4Å; S200-A204 PolarHBondContact O-N 2.83Å; A204-A208 PolarHBondContact O-N 2.78Å
205	T	93.8	Very high	89.4	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-69.7	-40.3	172.9	-55.7	0	0	0	0	111.8	L60 I191 V193 Q201 R202 Q203 D207 A208 G209	L60-T205 HydrophobicContact CD2-CG2 4.11Å; I191-T205 HydrophobicContact CG2-CG2 3.82Å; V193-T205 HydrophobicContact CG1-CG2 3.7Å; Q201-T205 WeakPolarHBondContact O-CB 3.49Å; Q201-T205 PolarHBondContact O-N 2.91Å; Q201-T205 PolarHBondContact O-OG1 3.18Å; R202-T205 PolarHBondContact O-N 3.15Å; Q203-T205 PolarHBondContact O-N 3.27Å; T205-D207 VanDerWaalsContact C-N 3.34Å; T205-A208 WeakPolarHBondContact O-CB 3.49Å; T205-A208 PolarHBondContact O-N 2.94Å; T205-G209 PolarHBondContact O-N 3.49Å; T205-G209 VanDerWaalsContact O-N 3.16Å
206	K	92.2	Very high	89.8	Confident	69 Å²	69	24.9 Å²	24.9	30%	0.3	13%	0.131	S	C	.	.	H	α-helix	trans	-62.2	-42	172.9	-171.8	176.3	-179.7	176.7	0	111.6	R202 Q203 A208 G209 Q210 V216 V219	R202-K206 PolarHBondContact O-N 3.37Å; Q203-K206 CarbonylContact O-C 3.49Å; Q203-K206 WeakPolarHBondContact O-CA 3.21Å; Q203-K206 WeakPolarHBondContact O-CB 3.19Å; Q203-K206 PolarHBondContact O-N 2.91Å; K206-A208 VanDerWaalsContact C-N 3.32Å; K206-A208 PolarHBondContact O-N 3.4Å; K206-G209 WeakPolarHBondContact O-CA 3.34Å; K206-G209 PolarHBondContact O-N 3.03Å; K206-G209 VanDerWaalsContact O-N 3.12Å; K206-Q210 PolarHBondContact O-N 3.28Å; K206-V216 HydrophobicContact CG-CB 4.07Å; K206-V216 HydrophobicContact CG-CG1 4.21Å; K206-V216 HydrophobicContact CG-CG2 4.43Å; K206-V219 HydrophobicContact CB-CG2 4.26Å
207	D	92.5	Very high	90.2	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.021	13%	0.132	C	C	.	.	H	α-helix	trans	-61.5	-40.8	175.8	-61.1	-19.3	0	0	0	110.8	Q203 T205 G209 Q210 I211 L553 I558	Q203-D207 PolarHBondContact NE2-OD1 3.01Å; Q203-D207 PolarHBondContact O-N 3.03Å; T205-D207 VanDerWaalsContact C-N 3.34Å; D207-G209 VanDerWaalsContact C-N 3.29Å; D207-G209 PolarHBondContact O-N 3.39Å; D207-Q210 PolarHBondContact O-N 3.42Å; D207-Q210 VanDerWaalsContact O-N 3.15Å; D207-I211 WeakPolarHBondContact O-CD1 3.32Å; D207-I211 VanDerWaalsContact O-CG1 3.22Å; D207-I211 WeakPolarHBondContact O-CG1 3.43Å; D207-I211 PolarHBondContact O-N 3.26Å; D207-L553 HydrophobicContact CB-CD1 4.49Å; D207-I558 HydrophobicContact CB-CD1 4.25Å
208	A	96	Very high	90.6	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-58.2	-42.3	173.5	0	0	0	0	0	111.9	S164 A168 L171 A204 T205 K206 I211 S212	S164-A208 WeakPolarHBondContact O-CA 3.32Å; S164-A208 WeakPolarHBondContact O-CB 3.27Å; A168-A208 HydrophobicContact CB-CB 4.49Å; A168-A208 WeakPolarHBondContact CB-O 3.23Å; L171-A208 HydrophobicContact CD1-CB 3.94Å; A204-A208 PolarHBondContact O-N 2.78Å; T205-A208 WeakPolarHBondContact O-CB 3.49Å; T205-A208 PolarHBondContact O-N 2.94Å; K206-A208 VanDerWaalsContact C-N 3.32Å; K206-A208 PolarHBondContact O-N 3.4Å; A208-I211 PolarHBondContact O-N 2.94Å; A208-S212 PolarHBondContact O-N 3.3Å
209	G	95.8	Very high	91.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.7	-46.1	173.1	0	0	0	0	0	112.4	T205 K206 D207 I211 S212 G213 L214	T205-G209 PolarHBondContact O-N 3.49Å; T205-G209 VanDerWaalsContact O-N 3.16Å; K206-G209 WeakPolarHBondContact O-CA 3.34Å; K206-G209 PolarHBondContact O-N 3.03Å; K206-G209 VanDerWaalsContact O-N 3.12Å; D207-G209 VanDerWaalsContact C-N 3.29Å; D207-G209 PolarHBondContact O-N 3.39Å; G209-I211 PolarHBondContact O-N 3.39Å; G209-S212 PolarHBondContact O-N 3.42Å; G209-S212 VanDerWaalsContact O-N 3.16Å; G209-S212 PolarHBondContact O-OG 3.5Å; G209-G213 PolarHBondContact O-N 3.2Å; G209-L214 CarbonylContact C-O 3.6Å; G209-L214 WeakPolarHBondContact O-CB 3.38Å; G209-L214 PolarHBondContact O-N 3.48Å
210	Q	93.3	Very high	92.1	Very high	93 Å²	93	24.6 Å²	24.6	44%	0.435	13%	0.13	S	C	.	.	H	α-helix	trans	-61.5	-44.2	176.9	-173.3	173.4	-12.9	0	0	112.2	K206 D207 S212 G213 I558	K206-Q210 PolarHBondContact O-N 3.28Å; D207-Q210 PolarHBondContact O-N 3.42Å; D207-Q210 VanDerWaalsContact O-N 3.15Å; Q210-S212 PolarHBondContact O-N 3.06Å; Q210-G213 PolarHBondContact O-N 3Å; Q210-I558 HydrophobicContact CB-CG2 4.48Å; Q210-I558 HydrophobicContact CG-CG2 3.98Å
211	I	94.1	Very high	92.6	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-60.8	-33.7	176.8	-65.2	162.1	0	0	0	111.3	Q165 A168 D207 A208 G209 G213 L553 I558 M561 A565	Q165-I211 HydrophobicContact CG-CD1 4.28Å; A168-I211 HydrophobicContact CB-CB 3.63Å; A168-I211 HydrophobicContact CB-CG2 3.46Å; A168-I211 VanDerWaalsContact CB-CG2 3.46Å; D207-I211 WeakPolarHBondContact O-CD1 3.32Å; D207-I211 VanDerWaalsContact O-CG1 3.22Å; D207-I211 WeakPolarHBondContact O-CG1 3.43Å; D207-I211 PolarHBondContact O-N 3.26Å; A208-I211 PolarHBondContact O-N 2.94Å; G209-I211 PolarHBondContact O-N 3.39Å; I211-G213 PolarHBondContact O-N 3.22Å; I211-L553 HydrophobicContact CD1-CD1 3.97Å; I211-I558 HydrophobicContact CG1-CG2 4.38Å; I211-M561 HydrophobicContact CD1-CB 4.13Å; I211-M561 HydrophobicContact CD1-SD 3.8Å; I211-M561 HydrophobicContact CG1-CB 3.96Å; I211-M561 HydrophobicContact CG2-CB 4.11Å; I211-A565 HydrophobicContact CG2-CB 4.24Å; I211-A565 WeakPolarHBondContact O-CB 3.48Å
212	S	95.1	Very high	93	Very high	5 Å²	5	23.9 Å²	23.9	4%	0.035	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-0	175.7	73.7	0	0	0	0	114.5	A208 G209 Q210 L214	A208-S212 PolarHBondContact O-N 3.3Å; G209-S212 PolarHBondContact O-N 3.42Å; G209-S212 VanDerWaalsContact O-N 3.16Å; G209-S212 PolarHBondContact O-OG 3.5Å; Q210-S212 PolarHBondContact O-N 3.06Å; S212-L214 WeakPolarHBondContact OG-CD1 3.31Å; S212-L214 WeakPolarHBondContact OG-CG 3.48Å
213	G	93	Very high	93.3	Very high	37 Å²	37	22.3 Å²	22.3	38%	0.381	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	29	-175.9	0	0	0	0	0	113.1	K175 G209 Q210 I211	K175-G213 PolarHBondContact NZ-O 2.77Å; G209-G213 PolarHBondContact O-N 3.2Å; Q210-G213 PolarHBondContact O-N 3Å; I211-G213 PolarHBondContact O-N 3.22Å
214	L	95.4	Very high	93.6	Very high	7 Å²	7	20.3 Å²	20.3	4%	0.037	11%	0.109	C	C	.	.			trans	-102.4	136	171.5	-67.2	170.9	0	0	0	110	I58 L171 K175 A186 A189 G209 S212 V216	I58-L214 HydrophobicContact CD1-CD1 3.67Å; L171-L214 HydrophobicContact CB-CD1 4.49Å; K175-L214 HydrophobicContact CB-CD2 4.32Å; K175-L214 HydrophobicContact CD-CD2 3.82Å; K175-L214 HydrophobicContact CD-CG 4.2Å; K175-L214 HydrophobicContact CG-CD2 4.05Å; A186-L214 WeakPolarHBondContact O-CD2 3.42Å; A189-L214 HydrophobicContact CB-CB 4.23Å; A189-L214 HydrophobicContact CB-CD1 3.93Å; A189-L214 HydrophobicContact CB-CD2 4.19Å; A189-L214 HydrophobicContact CB-CG 4.35Å; G209-L214 CarbonylContact C-O 3.6Å; G209-L214 WeakPolarHBondContact O-CB 3.38Å; G209-L214 PolarHBondContact O-N 3.48Å; S212-L214 WeakPolarHBondContact OG-CD1 3.31Å; S212-L214 WeakPolarHBondContact OG-CG 3.48Å; L214-V216 PolarHBondContact O-N 2.88Å
215	N	94.6	Very high	93.8	Very high	78 Å²	78	20.3 Å²	20.3	42%	0.417	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	100.3	164.1	179.4	34.1	0	0	0	108.7	K187 N188 A189 L217	K187-N215 WeakPolarHBondContact O-CB 3.38Å; K187-N215 PolarHBondContact O-N 2.9Å; N188-N215 WeakPolarHBondContact CA-O 3.36Å; N188-N215 PolarHBondContact OD1-ND2 2.9Å; A189-N215 PolarHBondContact N-O 3.25Å; N215-L217 WeakPolarHBondContact ND2-CD2 3.45Å; N215-L217 PolarHBondContact O-N 3.29Å; N215-L217 VanDerWaalsContact O-N 3.09Å
216	V	94.1	Very high	93.9	Very high	15 Å²	15	20.3 Å²	20.3	9%	0.091	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	98.4	-179.5	-173.5	0	0	0	0	109.3	I191 K206 L214 V219	I191-V216 HydrophobicContact CD1-CG1 4.27Å; I191-V216 HydrophobicContact CD1-CG2 3.7Å; I191-V216 HydrophobicContact CG1-CG1 4.37Å; K206-V216 HydrophobicContact CG-CB 4.07Å; K206-V216 HydrophobicContact CG-CG1 4.21Å; K206-V216 HydrophobicContact CG-CG2 4.43Å; L214-V216 PolarHBondContact O-N 2.88Å; V216-V219 HydrophobicContact CG1-CG2 3.9Å
217	L	92.3	Very high	94	Very high	43 Å²	43	17 Å²	17	23%	0.225	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	-36.8	-178.5	-65.7	179.6	0	0	0	111.8	I51 V55 N188 A189 N215 L428	I51-L217 HydrophobicContact CD1-CD1 3.78Å; I51-L217 HydrophobicContact CD1-CD2 4.36Å; I51-L217 HydrophobicContact CG1-CD1 4.27Å; I51-L217 HydrophobicContact CG1-CD2 4.44Å; I51-L217 HydrophobicContact CG2-CD1 3.94Å; V55-L217 HydrophobicContact CB-CD1 4.48Å; V55-L217 HydrophobicContact CG1-CD1 3.88Å; V55-L217 HydrophobicContact CG2-CD1 3.72Å; N188-L217 HydrophobicContact CB-CD1 3.78Å; N188-L217 HydrophobicContact CB-CG 4.1Å; A189-L217 PolarHBondContact O-N 3.47Å; N215-L217 WeakPolarHBondContact ND2-CD2 3.45Å; N215-L217 PolarHBondContact O-N 3.29Å; N215-L217 VanDerWaalsContact O-N 3.09Å; L217-L428 HydrophobicContact CB-CD1 4Å
218	R	91	Very high	94.1	Very high	34 Å²	34	16.9 Å²	16.9	13%	0.128	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	144.5	178.2	-172	167	-174.7	155.9	4.8	110.8	V190 I191 L428 A526	V190-R218 WeakPolarHBondContact CA-O 3.45Å; V190-R218 HydrophobicContact CG1-CB 4.47Å; V190-R218 HydrophobicContact CG2-CB 4.36Å; I191-R218 PolarHBondContact N-O 2.89Å; I191-R218 VanDerWaalsContact N-O 3.14Å; R218-L428 HydrophobicContact CB-CD1 3.84Å; R218-A526 PolarHBondContact NH2-O 3.3Å
219	V	91.4	Very high	94	Very high	21 Å²	21	18 Å²	18	13%	0.127	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118.1	164	176.4	0	0	0	0	107.1	I191 V193 K206 V216	I191-V219 CarbonylContact O-C 3.59Å; I191-V219 VanDerWaalsContact O-CA 3.28Å; I191-V219 WeakPolarHBondContact O-CA 3.49Å; V193-V219 HydrophobicContact CB-CG1 4.04Å; V193-V219 HydrophobicContact CG1-CG1 3.49Å; V193-V219 VanDerWaalsContact CG1-CG1 3.49Å; V193-V219 HydrophobicContact CG2-CG1 3.38Å; K206-V219 HydrophobicContact CB-CG2 4.26Å; V216-V219 HydrophobicContact CG1-CG2 3.9Å
220	I	93.3	Very high	93.8	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	145.1	-175.9	-171.4	166.8	0	0	0	110.9	V190 I191 T192 V193 T224 A225 L228 A421 Q424 L437	V190-I220 HydrophobicContact CG1-CB 4.1Å; V190-I220 HydrophobicContact CG1-CG2 3.58Å; I191-I220 PolarHBondContact O-N 2.91Å; T192-I220 CarbonylContact C-O 3.5Å; T192-I220 VanDerWaalsContact CA-O 3.27Å; T192-I220 WeakPolarHBondContact CA-O 3.33Å; T192-I220 HydrophobicContact CG2-CG2 3.81Å; V193-I220 PolarHBondContact N-O 3.28Å; I220-T224 HydrophobicContact CD1-CG2 4.37Å; I220-T224 HydrophobicContact CG1-CG2 4.44Å; I220-A225 HydrophobicContact CD1-CB 4.16Å; I220-A225 HydrophobicContact CG1-CB 4.39Å; I220-A225 HydrophobicContact CG2-CB 4.24Å; I220-L228 HydrophobicContact CD1-CD1 3.86Å; I220-A421 HydrophobicContact CG2-CB 4.28Å; I220-Q424 HydrophobicContact CD1-CB 3.84Å; I220-Q424 HydrophobicContact CD1-CG 3.87Å; I220-L437 HydrophobicContact CD1-CD2 4.05Å
221	N	93.2	Very high	93.5	Very high	4 Å²	4	14.4 Å²	14.4	2%	0.021	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	132.9	174	-66.9	-20.4	0	0	0	110.7	V193 A195 R202 T224 A225 D439	V193-N221 CarbonylContact O-C 3.47Å; V193-N221 WeakPolarHBondContact O-CA 3.37Å; A195-N221 HydrophobicContact CB-CB 4.11Å; R202-N221 VanDerWaalsContact CZ-OD1 3.23Å; R202-N221 PolarHBondContact NH1-OD1 3.37Å; R202-N221 PolarHBondContact NH2-OD1 3.36Å; N221-T224 WeakPolarHBondContact O-CB 3.31Å; N221-T224 PolarHBondContact O-N 3.41Å; N221-T224 VanDerWaalsContact O-N 3.13Å; N221-A225 PolarHBondContact O-N 2.91Å; N221-D439 VanDerWaalsContact ND2-CG 3.32Å; N221-D439 PolarHBondContact ND2-OD1 2.61Å; N221-D439 PolarHBondContact ND2-OD2 3.47Å
222	E	95.2	Very high	92.9	Very high	10 Å²	10	17 Å²	17	5%	0.047	10%	0.101	C	C	.	.	H	α-helix	trans	-50.7	-53	178.7	-74.3	165.3	-167.1	0	0	113.4	K121 V193 P194 T224 A225 A226 V417	K121-E222 IonicContact NZ-OE1 3.42Å; K121-E222 PolarHBondContact NZ-OE1 2.86Å; V193-E222 WeakPolarHBondContact O-CG 3.49Å; V193-E222 PolarHBondContact O-N 2.92Å; P194-E222 VanDerWaalsContact CD-OE1 3.29Å; P194-E222 WeakPolarHBondContact CD-OE1 3.39Å; E222-T224 VanDerWaalsContact C-N 3.27Å; E222-T224 PolarHBondContact O-N 2.81Å; E222-A225 WeakPolarHBondContact O-CB 3.43Å; E222-A225 PolarHBondContact O-N 3.45Å; E222-A226 PolarHBondContact O-N 3.37Å; E222-V417 HydrophobicContact CB-CG1 4.23Å; E222-V417 HydrophobicContact CB-CG2 4.44Å; E222-V417 HydrophobicContact CG-CG1 3.93Å
223	P	94.4	Very high	92.2	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66	-30.8	179.3	23.8	-34.3	0	0	0	112.9	A195 A226 A227 V242 D251 S253	A195-P223 HydrophobicContact CB-CG 3.66Å; P223-A226 PolarHBondContact O-N 3.45Å; P223-A227 WeakPolarHBondContact O-CB 3.42Å; P223-A227 PolarHBondContact O-N 2.97Å; P223-V242 HydrophobicContact CB-CB 3.9Å; P223-V242 HydrophobicContact CB-CG1 3.64Å; P223-D251 HydrophobicContact CG-CB 4.34Å; P223-S253 WeakPolarHBondContact CG-OG 3.34Å
224	T	94	Very high	91.4	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-67.8	-42.3	174.9	-57.3	0	0	0	0	111.5	I220 N221 E222 A227 L228 L437	I220-T224 HydrophobicContact CD1-CG2 4.37Å; I220-T224 HydrophobicContact CG1-CG2 4.44Å; N221-T224 WeakPolarHBondContact O-CB 3.31Å; N221-T224 PolarHBondContact O-N 3.41Å; N221-T224 VanDerWaalsContact O-N 3.13Å; E222-T224 VanDerWaalsContact C-N 3.27Å; E222-T224 PolarHBondContact O-N 2.81Å; T224-A227 WeakPolarHBondContact O-CB 3.48Å; T224-A227 PolarHBondContact O-N 3.13Å; T224-L228 PolarHBondContact O-N 3.38Å; T224-L437 HydrophobicContact CG2-CD1 3.17Å; T224-L437 HydrophobicContact CG2-CD2 3.54Å; T224-L437 HydrophobicContact CG2-CG 3.91Å
225	A	95.8	Very high	90.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-45.9	173.4	0	0	0	0	0	110.9	T192 I220 N221 E222 A227 L228 A229 V417 G420	T192-A225 HydrophobicContact CG2-CB 4.47Å; I220-A225 HydrophobicContact CD1-CB 4.16Å; I220-A225 HydrophobicContact CG1-CB 4.39Å; I220-A225 HydrophobicContact CG2-CB 4.24Å; N221-A225 PolarHBondContact O-N 2.91Å; E222-A225 WeakPolarHBondContact O-CB 3.43Å; E222-A225 PolarHBondContact O-N 3.45Å; A225-A227 VanDerWaalsContact C-N 3.28Å; A225-A227 PolarHBondContact O-N 3.17Å; A225-L228 WeakPolarHBondContact O-CB 3.46Å; A225-L228 PolarHBondContact O-N 2.88Å; A225-L228 VanDerWaalsContact O-N 3.1Å; A225-A229 PolarHBondContact O-N 3.01Å; A225-V417 HydrophobicContact CB-CG1 4.37Å; A225-V417 WeakPolarHBondContact CB-O 3.46Å; A225-G420 WeakPolarHBondContact O-CA 3.47Å
226	A	96	Very high	89.7	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.9	-36.4	176.3	0	0	0	0	0	113	E222 P223 A229 Y230 V242 V386 A416 V417	E222-A226 PolarHBondContact O-N 3.37Å; P223-A226 PolarHBondContact O-N 3.45Å; A226-A229 PolarHBondContact O-N 2.97Å; A226-Y230 PolarHBondContact O-N 2.71Å; A226-V242 HydrophobicContact CB-CG1 4.13Å; A226-V386 HydrophobicContact CB-CG1 4.29Å; A226-V386 HydrophobicContact CB-CG2 3.46Å; A226-V386 VanDerWaalsContact CB-CG2 3.46Å; A226-A416 HydrophobicContact CB-CB 4.2Å; A226-V417 HydrophobicContact CB-CG2 4.37Å
227	A	94.7	Very high	89.5	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.4	-41.5	173.3	0	0	0	0	0	112.4	P223 T224 A225 Y230 G231 I240 V242 L255 F262	P223-A227 WeakPolarHBondContact O-CB 3.42Å; P223-A227 PolarHBondContact O-N 2.97Å; T224-A227 WeakPolarHBondContact O-CB 3.48Å; T224-A227 PolarHBondContact O-N 3.13Å; A225-A227 VanDerWaalsContact C-N 3.28Å; A225-A227 PolarHBondContact O-N 3.17Å; A227-Y230 PolarHBondContact O-N 3.2Å; A227-G231 PolarHBondContact O-N 3.35Å; A227-I240 HydrophobicContact CB-CD1 3.86Å; A227-V242 HydrophobicContact CB-CG2 4.25Å; A227-L255 HydrophobicContact CB-CD1 4.28Å; A227-L255 HydrophobicContact CB-CD2 3.65Å; A227-F262 HydrophobicContact CB-CD1 4.42Å; A227-F262 WeakPolarHBondContact O-CE1 3.28Å
228	L	93.9	Very high	89.5	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-60.2	-44.6	173.9	-70.9	174.2	0	0	0	111.7	I220 T224 A225 Y230 G231 L232 F262 I423 Q424 V435	I220-L228 HydrophobicContact CD1-CD1 3.86Å; T224-L228 PolarHBondContact O-N 3.38Å; A225-L228 WeakPolarHBondContact O-CB 3.46Å; A225-L228 PolarHBondContact O-N 2.88Å; A225-L228 VanDerWaalsContact O-N 3.1Å; L228-Y230 VanDerWaalsContact C-N 3.28Å; L228-Y230 PolarHBondContact O-N 2.97Å; L228-G231 PolarHBondContact O-N 3.27Å; L228-L232 PolarHBondContact O-N 3.25Å; L228-L232 VanDerWaalsContact O-N 3.17Å; L228-F262 HydrophobicContact CD2-CD1 4.17Å; L228-F262 HydrophobicContact CD2-CD2 3.8Å; L228-F262 HydrophobicContact CD2-CE1 4.28Å; L228-F262 HydrophobicContact CD2-CE2 3.94Å; L228-F262 HydrophobicContact CD2-CG 3.93Å; L228-F262 HydrophobicContact CD2-CZ 4.18Å; L228-I423 HydrophobicContact CB-CG2 4.46Å; L228-Q424 HydrophobicContact CD1-CB 4.21Å; L228-V435 HydrophobicContact CD2-CG1 3.64Å
229	A	94	Very high	89.7	Confident	25 Å²	25	37.2 Å²	37.2	21%	0.207	20%	0.201	C	C	.	.	H	α-helix	trans	-62.5	-34.7	177.5	0	0	0	0	0	112.8	A225 A226 A416 I419	A225-A229 PolarHBondContact O-N 3.01Å; A226-A229 PolarHBondContact O-N 2.97Å; A229-A416 HydrophobicContact CB-CB 4.27Å; A229-A416 WeakPolarHBondContact CB-O 3.34Å; A229-I419 HydrophobicContact CB-CB 3.94Å; A229-I419 HydrophobicContact CB-CG2 3.55Å
230	Y	91.9	Very high	90	Very high	14 Å²	14	36.2 Å²	36.2	6%	0.055	19%	0.194	C	C	.	.	H	α-helix	trans	-74.8	-44.2	175.3	165.4	-94.2	0	0	0	113	A226 A227 L228 K234 I240 I257 E382 I384 A410 V411	A226-Y230 PolarHBondContact O-N 2.71Å; A227-Y230 PolarHBondContact O-N 3.2Å; L228-Y230 VanDerWaalsContact C-N 3.28Å; L228-Y230 PolarHBondContact O-N 2.97Å; Y230-K234 HydrophobicContact CE1-CG 4.18Å; Y230-K234 WeakPolarHBondContact O-CG 2.95Å; Y230-I240 HydrophobicContact CD1-CD1 4.36Å; Y230-I240 HydrophobicContact CE1-CG2 4.2Å; Y230-I257 HydrophobicContact CD1-CD1 3.98Å; Y230-I257 HydrophobicContact CE1-CD1 4.03Å; Y230-E382 VanDerWaalsContact CE2-CD 3.49Å; Y230-E382 HydrophobicContact CE2-CG 4.45Å; Y230-E382 VanDerWaalsContact CE2-OE1 3.22Å; Y230-E382 WeakPolarHBondContact CE2-OE1 3.34Å; Y230-E382 PolarHBondContact OH-OE2 2.98Å; Y230-I384 HydrophobicContact CD1-CD1 3.62Å; Y230-I384 HydrophobicContact CD2-CD1 3.72Å; Y230-I384 HydrophobicContact CD2-CG1 4.34Å; Y230-I384 HydrophobicContact CE1-CD1 4.27Å; Y230-I384 HydrophobicContact CE2-CD1 4.34Å; Y230-I384 HydrophobicContact CG-CD1 3.33Å; Y230-I384 HydrophobicContact CG-CG1 4.39Å; Y230-A410 HydrophobicContact CD2-CB 4.08Å; Y230-A410 HydrophobicContact CE2-CB 4.13Å; Y230-V411 HydrophobicContact CD2-CG1 4.31Å
231	G	86.3	Confident	90.2	Very high	3 Å²	3	36.2 Å²	36.2	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-93.2	-9.5	-163.7	0	0	0	0	0	115.7	A227 L228 D233 K234	A227-G231 PolarHBondContact O-N 3.35Å; L228-G231 PolarHBondContact O-N 3.27Å; G231-D233 PolarHBondContact O-N 3.16Å; G231-K234 PolarHBondContact O-N 3.14Å
232	L	81.5	Confident	90.4	Very high	57 Å²	57	36 Å²	36	30%	0.298	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-38.9	-175.6	-171.6	68.4	0	0	0	113.1	L228 I423 V432 V435	L228-L232 PolarHBondContact O-N 3.25Å; L228-L232 VanDerWaalsContact O-N 3.17Å; L232-I423 HydrophobicContact CB-CD1 4.34Å; L232-I423 HydrophobicContact CD1-CG2 4.15Å; L232-I423 HydrophobicContact CD2-CD1 3.88Å; L232-I423 HydrophobicContact CD2-CG1 4.15Å; L232-V432 HydrophobicContact CD1-CG1 4.39Å; L232-V435 HydrophobicContact CD1-CG2 3.8Å
233	D	79.6	Confident	90.6	Very high	153 Å²	153	35.6 Å²	35.6	82%	0.818	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	10.6	-179.5	-63.3	-38.4	0	0	0	113.2	G231	G231-D233 PolarHBondContact O-N 3.16Å
234	K	78.1	Confident	90.7	Very high	98 Å²	98	35.8 Å²	35.8	43%	0.426	19%	0.192	S	C	.	.			trans	-105.1	133.7	-175.8	-56.8	-60.3	-176.4	-172.9	0	110.9	Y230 G231	Y230-K234 HydrophobicContact CE1-CG 4.18Å; Y230-K234 WeakPolarHBondContact O-CG 2.95Å; G231-K234 PolarHBondContact O-N 3.14Å
235	S	70.8	Confident	90.9	Very high	104 Å²	104	35.8 Å²	35.8	73%	0.727	19%	0.192	S	C	*	.			trans	-111	-4.9	-179.7	55.6	0	0	0	0	114.1
236	E	82.9	Confident	91	Very high	123 Å²	123	36.4 Å²	36.4	58%	0.575	20%	0.199	S	C	*	.	S	Bend	trans	-84.3	134.7	-179.4	-66	176.9	178.9	0	0	111.2	K238	E236-K238 PolarHBondContact O-N 2.95Å; E236-K238 IonicContact OE2-NZ 2.72Å; E236-K238 PolarHBondContact OE2-NZ 3.38Å
237	D	89.8	Confident	91	Very high	95 Å²	95	37.1 Å²	37.1	51%	0.508	21%	0.206	S	C	.	.			trans	-68.1	121.7	169.7	-60.7	-18	0	0	0	108.6	I257 Q258 K259	D237-I257 CarbonylContact C-O 3.5Å; D237-I257 VanDerWaalsContact CA-O 3.22Å; D237-I257 WeakPolarHBondContact CA-O 3.19Å; D237-Q258 HydrophobicContact CB-CG 4.4Å; D237-Q258 WeakPolarHBondContact OD1-CA 3.5Å; D237-K259 PolarHBondContact OD1-N 2.97Å
238	K	91.9	Very high	91	Very high	48 Å²	48	37.1 Å²	37.1	21%	0.209	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	136	-171.9	-165.3	168.2	-73.1	161.3	0	112.1	E236 I240 I257 E382	E236-K238 PolarHBondContact O-N 2.95Å; E236-K238 IonicContact OE2-NZ 2.72Å; E236-K238 PolarHBondContact OE2-NZ 3.38Å; K238-I240 HydrophobicContact CD-CG2 4.36Å; K238-I240 HydrophobicContact CG-CG2 4.11Å; K238-I257 PolarHBondContact N-O 3.19Å; K238-I257 PolarHBondContact O-N 3.25Å; K238-E382 HydrophobicContact CD-CB 4.11Å; K238-E382 IonicContact NZ-OE2 2.82Å
239	V	95.9	Very high	91.1	Very high	24 Å²	24	37.4 Å²	37.4	15%	0.145	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	127.6	165.5	-175.8	0	0	0	0	108.8	I254 L255 E256 V375 I380 G381 E382	V239-I254 HydrophobicContact CG1-CG2 3.67Å; V239-L255 CarbonylContact C-O 3.35Å; V239-L255 VanDerWaalsContact CA-O 3.31Å; V239-L255 WeakPolarHBondContact CA-O 3.31Å; V239-E256 HydrophobicContact CG2-CG 4.3Å; V239-V375 HydrophobicContact CG1-CG1 4.45Å; V239-I380 HydrophobicContact CG1-CD1 3.81Å; V239-G381 WeakPolarHBondContact O-CA 3.46Å; V239-G381 PolarHBondContact O-N 2.78Å; V239-E382 PolarHBondContact O-N 3.19Å
240	I	96.6	Very high	91.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	150.6	-179.8	63.6	162.3	0	0	0	110.9	A227 Y230 K238 V242 I254 L255 I257 E382 I384	A227-I240 HydrophobicContact CB-CD1 3.86Å; Y230-I240 HydrophobicContact CD1-CD1 4.36Å; Y230-I240 HydrophobicContact CE1-CG2 4.2Å; K238-I240 HydrophobicContact CD-CG2 4.36Å; K238-I240 HydrophobicContact CG-CG2 4.11Å; I240-V242 HydrophobicContact CD1-CG2 3.99Å; I240-I254 WeakPolarHBondContact O-CA 3.48Å; I240-L255 HydrophobicContact CD1-CB 4.32Å; I240-L255 HydrophobicContact CD1-CD1 4.34Å; I240-L255 HydrophobicContact CG1-CB 3.87Å; I240-L255 HydrophobicContact CG1-CD1 4.3Å; I240-L255 PolarHBondContact N-O 3.41Å; I240-L255 PolarHBondContact O-N 3.2Å; I240-I257 HydrophobicContact CD1-CD1 3.67Å; I240-I257 HydrophobicContact CD1-CG1 4.33Å; I240-I257 HydrophobicContact CG1-CD1 4.16Å; I240-I257 HydrophobicContact CG1-CG1 4.45Å; I240-I257 HydrophobicContact CG2-CD1 4.28Å; I240-E382 CarbonylContact C-O 3.51Å; I240-E382 VanDerWaalsContact CA-O 3.29Å; I240-E382 WeakPolarHBondContact CA-O 3.32Å; I240-E382 HydrophobicContact CG2-CB 3.92Å; I240-I384 HydrophobicContact CD1-CD1 3.68Å
241	A	97.9	Very high	91.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.3	169	0	0	0	0	0	109.2	I252 S253 I254 I380 E382 V383 I384 F403	A241-I252 HydrophobicContact CB-CD1 4.22Å; A241-S253 WeakPolarHBondContact CA-O 3.45Å; A241-I254 HydrophobicContact CB-CD1 3.71Å; A241-I380 HydrophobicContact CB-CG2 3.91Å; A241-E382 PolarHBondContact N-O 2.85Å; A241-V383 HydrophobicContact CB-CG2 4.39Å; A241-V383 CarbonylContact O-C 3.55Å; A241-V383 WeakPolarHBondContact O-CA 3.44Å; A241-I384 PolarHBondContact O-N 3.32Å; A241-F403 HydrophobicContact CB-CD1 4.36Å; A241-F403 HydrophobicContact CB-CE1 3.81Å; A241-F403 HydrophobicContact CB-CZ 4.01Å
242	V	98.1	Very high	92	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	108.1	174.3	-176.3	0	0	0	0	108.4	P223 A226 A227 I240 I252 S253 L255 I384 V386	P223-V242 HydrophobicContact CB-CB 3.9Å; P223-V242 HydrophobicContact CB-CG1 3.64Å; A226-V242 HydrophobicContact CB-CG1 4.13Å; A227-V242 HydrophobicContact CB-CG2 4.25Å; I240-V242 HydrophobicContact CD1-CG2 3.99Å; V242-I252 WeakPolarHBondContact O-CA 3.39Å; V242-I252 VanDerWaalsContact O-CD1 3.28Å; V242-I252 WeakPolarHBondContact O-CD1 3.5Å; V242-S253 PolarHBondContact N-O 3.49Å; V242-S253 PolarHBondContact O-N 3.49Å; V242-S253 VanDerWaalsContact O-N 3.08Å; V242-L255 HydrophobicContact CB-CD1 4.28Å; V242-L255 HydrophobicContact CG2-CD1 3.63Å; V242-I384 HydrophobicContact CG2-CB 4.32Å; V242-I384 HydrophobicContact CG2-CD1 4.28Å; V242-V386 HydrophobicContact CG1-CG2 3.72Å
243	Y	98.3	Very high	92.7	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	105	176.9	-175.7	-75.6	0	0	0	108.4	L245 F250 T362 I384 L385 V386 T390 V395 V399	Y243-L245 HydrophobicContact CD1-CB 4.42Å; Y243-L245 HydrophobicContact CE1-CB 3.82Å; Y243-L245 HydrophobicContact CE1-CD2 4.45Å; Y243-F250 HydrophobicContact CD1-CE2 4.03Å; Y243-F250 AromaticContact CD2-CE2 3.69Å; Y243-F250 HydrophobicContact CD2-CE2 3.69Å; Y243-F250 AromaticContact CD2-CZ 3.92Å; Y243-F250 HydrophobicContact CD2-CZ 3.92Å; Y243-F250 HydrophobicContact CE1-CD2 4.31Å; Y243-F250 AromaticContact CE1-CE2 3.72Å; Y243-F250 HydrophobicContact CE1-CE2 3.72Å; Y243-F250 AromaticContact CE2-CE2 3.37Å; Y243-F250 HydrophobicContact CE2-CE2 3.37Å; Y243-F250 AromaticContact CE2-CZ 3.5Å; Y243-F250 HydrophobicContact CE2-CZ 3.5Å; Y243-F250 HydrophobicContact CG-CE2 4.02Å; Y243-F250 AromaticContact CZ-CE2 3.38Å; Y243-F250 AromaticContact CZ-CZ 3.91Å; Y243-T362 WeakPolarHBondContact OH-CB 3.35Å; Y243-T362 VanDerWaalsContact OH-CG2 3.32Å; Y243-T362 WeakPolarHBondContact OH-CG2 3.09Å; Y243-T362 PolarHBondContact OH-OG1 2.97Å; Y243-I384 PolarHBondContact N-O 2.78Å; Y243-L385 HydrophobicContact CD1-CD2 4.03Å; Y243-L385 HydrophobicContact CG-CD2 4.32Å; Y243-V386 PolarHBondContact O-N 2.84Å; Y243-T390 HydrophobicContact CD1-CG2 3.93Å; Y243-T390 HydrophobicContact CE1-CG2 4.13Å; Y243-V395 HydrophobicContact CE1-CG1 3.83Å; Y243-V399 HydrophobicContact CD1-CG2 4Å; Y243-V399 HydrophobicContact CD2-CG2 3.76Å; Y243-V399 HydrophobicContact CE1-CG2 3.95Å; Y243-V399 HydrophobicContact CE2-CG2 3.68Å; Y243-V399 HydrophobicContact CG-CG2 3.92Å
244	D	97.9	Very high	93.6	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.027	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	109.5	-178.6	-166.4	-18.8	0	0	0	110.3	F250 D251 V386	D244-F250 CarbonylContact O-C 3.21Å; D244-F250 VanDerWaalsContact O-CA 3.3Å; D244-F250 WeakPolarHBondContact O-CA 3.2Å; D244-F250 WeakPolarHBondContact O-CD2 3.21Å; D244-D251 HydrophobicContact CB-CB 4.35Å; D244-D251 PolarHBondContact N-O 3.06Å; D244-D251 PolarHBondContact O-N 3.03Å; D244-V386 WeakPolarHBondContact CA-O 3.45Å; D244-V386 HydrophobicContact CB-CB 3.95Å; D244-V386 HydrophobicContact CB-CG1 4.36Å; D244-V386 WeakPolarHBondContact OD2-CG1 3.47Å
245	L	98.3	Very high	94.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	94.3	173.9	-172.9	67.4	0	0	0	109.1	Y243 F250 L273 F278 T362 V386 G387 M389 T390 V395	Y243-L245 HydrophobicContact CD1-CB 4.42Å; Y243-L245 HydrophobicContact CE1-CB 3.82Å; Y243-L245 HydrophobicContact CE1-CD2 4.45Å; L245-F250 HydrophobicContact CB-CD2 4.13Å; L245-F250 HydrophobicContact CD1-CB 3.66Å; L245-F250 HydrophobicContact CD1-CD2 3.79Å; L245-F250 HydrophobicContact CD1-CG 4Å; L245-L273 HydrophobicContact CD1-CG 4.48Å; L245-F278 HydrophobicContact CD2-CZ 4.41Å; L245-T362 HydrophobicContact CD1-CG2 4.32Å; L245-V386 PolarHBondContact N-O 3.1Å; L245-G387 CarbonylContact O-C 3.59Å; L245-M389 HydrophobicContact CB-CB 4.43Å; L245-M389 HydrophobicContact CD2-CB 4Å; L245-M389 HydrophobicContact CD2-CG 3.73Å; L245-M389 HydrophobicContact CG-CB 3.85Å; L245-M389 HydrophobicContact CG-CG 4.02Å; L245-M389 VanDerWaalsContact O-CB 3.23Å; L245-M389 WeakPolarHBondContact O-CB 3.24Å; L245-M389 PolarHBondContact O-N 2.78Å; L245-T390 HydrophobicContact CB-CG2 3.81Å; L245-V395 HydrophobicContact CD2-CG1 4.18Å; L245-V395 HydrophobicContact CD2-CG2 4.17Å
246	G	97	Very high	95.6	Very high	13 Å²	13	18 Å²	18	13%	0.134	10%	0.096	C	C	.	.			trans	-89.6	-156.4	-178.5	0	0	0	0	0	113.8	T249 G274 G275	G246-T249 PolarHBondContact N-O 3.34Å; G246-G274 CarbonylContact O-C 3.59Å; G246-G274 WeakPolarHBondContact O-CA 3.23Å; G246-G275 PolarHBondContact O-N 3.38Å
247	G	96.4	Very high	96.1	Very high	15 Å²	15	12.3 Å²	12.3	16%	0.155	7%	0.07	C	C	.	.	S	Bend	trans	-74.4	-32.9	178	0	0	0	0	0	114.3	T63 G274 G275 E276	T63-G247 WeakPolarHBondContact OG1-CA 3.23Å; G247-G274 CarbonylContact O-C 3.52Å; G247-G274 WeakPolarHBondContact O-CA 3.23Å; G247-G275 PolarHBondContact O-N 2.98Å; G247-E276 WeakPolarHBondContact O-CB 3.43Å; G247-E276 VanDerWaalsContact O-CG 3.31Å; G247-E276 WeakPolarHBondContact O-CG 3.21Å; G247-E276 PolarHBondContact O-N 3.29Å
248	G	95.1	Very high	96.1	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	-130.5	-16.2	-174.8	0	0	0	0	0	115.9	L273	G248-L273 CarbonylContact C-O 3.48Å; G248-L273 CarbonylContact O-C 3.54Å; G248-L273 PolarHBondContact O-N 3.15Å; G248-L273 VanDerWaalsContact O-N 3.17Å
249	T	95.1	Very high	95.7	Very high	7 Å²	7	17.6 Å²	17.6	4%	0.043	9%	0.089	C	C	.	.			trans	-132.9	152.5	-173.9	54.7	0	0	0	0	111.3	P194 F197 G246 L273	P194-T249 HydrophobicContact CB-CG2 4.16Å; P194-T249 HydrophobicContact CG-CG2 3.7Å; F197-T249 HydrophobicContact CE1-CG2 4.36Å; G246-T249 PolarHBondContact N-O 3.34Å; T249-L273 CarbonylContact C-O 3.57Å; T249-L273 WeakPolarHBondContact CA-O 3.24Å; T249-L273 PolarHBondContact N-O 2.81Å
250	F	97.4	Very high	95.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.9	170.5	172	-120.6	0	0	0	108.7	Y243 D244 L245 I252 G269 D270 L273 T362 P365	Y243-F250 HydrophobicContact CD1-CE2 4.03Å; Y243-F250 AromaticContact CD2-CE2 3.69Å; Y243-F250 HydrophobicContact CD2-CE2 3.69Å; Y243-F250 AromaticContact CD2-CZ 3.92Å; Y243-F250 HydrophobicContact CD2-CZ 3.92Å; Y243-F250 HydrophobicContact CE1-CD2 4.31Å; Y243-F250 AromaticContact CE1-CE2 3.72Å; Y243-F250 HydrophobicContact CE1-CE2 3.72Å; Y243-F250 AromaticContact CE2-CE2 3.37Å; Y243-F250 HydrophobicContact CE2-CE2 3.37Å; Y243-F250 AromaticContact CE2-CZ 3.5Å; Y243-F250 HydrophobicContact CE2-CZ 3.5Å; Y243-F250 HydrophobicContact CG-CE2 4.02Å; Y243-F250 AromaticContact CZ-CE2 3.38Å; Y243-F250 AromaticContact CZ-CZ 3.91Å; D244-F250 CarbonylContact O-C 3.21Å; D244-F250 VanDerWaalsContact O-CA 3.3Å; D244-F250 WeakPolarHBondContact O-CA 3.2Å; D244-F250 WeakPolarHBondContact O-CD2 3.21Å; L245-F250 HydrophobicContact CB-CD2 4.13Å; L245-F250 HydrophobicContact CD1-CB 3.66Å; L245-F250 HydrophobicContact CD1-CD2 3.79Å; L245-F250 HydrophobicContact CD1-CG 4Å; F250-I252 HydrophobicContact CE1-CG2 4.46Å; F250-I252 HydrophobicContact CZ-CB 4.18Å; F250-I252 HydrophobicContact CZ-CG2 4.29Å; F250-G269 CarbonylContact O-C 3.58Å; F250-G269 WeakPolarHBondContact O-CA 3.33Å; F250-D270 HydrophobicContact CB-CB 4.44Å; F250-D270 PolarHBondContact N-O 3.47Å; F250-D270 PolarHBondContact O-N 3.2Å; F250-L273 HydrophobicContact CB-CB 4.31Å; F250-L273 HydrophobicContact CB-CD2 4.14Å; F250-L273 HydrophobicContact CB-CG 4.27Å; F250-L273 HydrophobicContact CD1-CD2 4.41Å; F250-L273 HydrophobicContact CG-CD2 4.48Å; F250-L273 PolarHBondContact N-O 2.83Å; F250-L273 VanDerWaalsContact N-O 3.11Å; F250-T362 HydrophobicContact CD1-CG2 3.97Å; F250-T362 HydrophobicContact CD2-CG2 4.12Å; F250-T362 VanDerWaalsContact CE1-CA 3.44Å; F250-T362 HydrophobicContact CE1-CG2 4.06Å; F250-T362 WeakPolarHBondContact CE1-O 3.08Å; F250-T362 HydrophobicContact CE2-CG2 4.27Å; F250-T362 HydrophobicContact CG-CG2 4Å; F250-T362 HydrophobicContact CZ-CG2 4.24Å; F250-P365 HydrophobicContact CD1-CG 4.36Å; F250-P365 HydrophobicContact CE1-CB 3.85Å; F250-P365 HydrophobicContact CE1-CG 3.95Å
251	D	96	Very high	94.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	145.7	175.3	-62.6	-90.3	0	0	0	110	P194 A195 Y196 P223 D244	P194-D251 WeakPolarHBondContact CB-OD2 3.46Å; A195-D251 PolarHBondContact N-OD1 3.22Å; A195-D251 VanDerWaalsContact N-OD1 3.07Å; Y196-D251 PolarHBondContact N-OD1 2.87Å; P223-D251 HydrophobicContact CG-CB 4.34Å; D244-D251 HydrophobicContact CB-CB 4.35Å; D244-D251 PolarHBondContact N-O 3.06Å; D244-D251 PolarHBondContact O-N 3.03Å
252	I	97.2	Very high	94.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	123.9	170.7	176.4	60.9	0	0	0	108.5	A241 V242 F250 T267 N268 P365 C366 A369 F403	A241-I252 HydrophobicContact CB-CD1 4.22Å; V242-I252 WeakPolarHBondContact O-CA 3.39Å; V242-I252 VanDerWaalsContact O-CD1 3.28Å; V242-I252 WeakPolarHBondContact O-CD1 3.5Å; F250-I252 HydrophobicContact CE1-CG2 4.46Å; F250-I252 HydrophobicContact CZ-CB 4.18Å; F250-I252 HydrophobicContact CZ-CG2 4.29Å; I252-T267 CarbonylContact O-C 3.49Å; I252-T267 WeakPolarHBondContact O-CA 3.47Å; I252-T267 PolarHBondContact O-OG1 3.22Å; I252-N268 HydrophobicContact CG2-CB 3.95Å; I252-N268 WeakPolarHBondContact CG2-O 3.48Å; I252-N268 PolarHBondContact N-O 3.01Å; I252-N268 PolarHBondContact O-N 3.31Å; I252-P365 HydrophobicContact CG2-CB 3.91Å; I252-C366 HydrophobicContact CG1-CB 4.27Å; I252-A369 HydrophobicContact CG1-CB 4.1Å; I252-A369 HydrophobicContact CG2-CB 4.04Å; I252-F403 HydrophobicContact CD1-CZ 4.07Å
253	S	97.2	Very high	94.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	136.1	174.3	-57.7	0	0	0	0	110.7	P223 A241 V242 S266 T267	P223-S253 WeakPolarHBondContact CG-OG 3.34Å; A241-S253 WeakPolarHBondContact CA-O 3.45Å; V242-S253 PolarHBondContact N-O 3.49Å; V242-S253 PolarHBondContact O-N 3.49Å; V242-S253 VanDerWaalsContact O-N 3.08Å; S253-S266 WeakPolarHBondContact CA-O 3.42Å; S253-T267 PolarHBondContact OG-OG1 2.92Å
254	I	97.8	Very high	94.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121.4	168.9	-54	-54.8	0	0	0	106.8	V239 I240 A241 K265 S266 A369 M370 A373 V375 I380	V239-I254 HydrophobicContact CG1-CG2 3.67Å; I240-I254 WeakPolarHBondContact O-CA 3.48Å; A241-I254 HydrophobicContact CB-CD1 3.71Å; I254-K265 HydrophobicContact CG2-CB 4.44Å; I254-K265 PolarHBondContact O-N 2.94Å; I254-S266 PolarHBondContact N-O 3.44Å; I254-S266 PolarHBondContact O-N 2.98Å; I254-A369 HydrophobicContact CG1-CB 4.1Å; I254-M370 HydrophobicContact CD1-CG 4.14Å; I254-A373 HydrophobicContact CB-CB 3.88Å; I254-A373 HydrophobicContact CG1-CB 4.21Å; I254-A373 HydrophobicContact CG2-CB 3.8Å; I254-V375 HydrophobicContact CG2-CG2 3.97Å; I254-I380 HydrophobicContact CD1-CD1 4.09Å; I254-I380 HydrophobicContact CG2-CD1 4.19Å
255	L	96.1	Very high	94.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	147.3	-179.9	-55.3	92.5	0	0	0	110.6	A227 V239 I240 V242 E263 V264	A227-L255 HydrophobicContact CB-CD1 4.28Å; A227-L255 HydrophobicContact CB-CD2 3.65Å; V239-L255 CarbonylContact C-O 3.35Å; V239-L255 VanDerWaalsContact CA-O 3.31Å; V239-L255 WeakPolarHBondContact CA-O 3.31Å; I240-L255 HydrophobicContact CD1-CB 4.32Å; I240-L255 HydrophobicContact CD1-CD1 4.34Å; I240-L255 HydrophobicContact CG1-CB 3.87Å; I240-L255 HydrophobicContact CG1-CD1 4.3Å; I240-L255 PolarHBondContact N-O 3.41Å; I240-L255 PolarHBondContact O-N 3.2Å; V242-L255 HydrophobicContact CB-CD1 4.28Å; V242-L255 HydrophobicContact CG2-CD1 3.63Å; L255-E263 CarbonylContact C-O 3.54Å; L255-E263 VanDerWaalsContact CA-O 3.25Å; L255-E263 WeakPolarHBondContact CA-O 3.42Å; L255-V264 HydrophobicContact CD2-CG2 3.74Å; L255-V264 HydrophobicContact CG-CG2 4.16Å
256	E	94.9	Very high	94	Very high	46 Å²	46	24.1 Å²	24.1	22%	0.215	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123	170.6	-171.7	171.3	-167.4	0	0	108.4	V239 Q258 E263 K265	V239-E256 HydrophobicContact CG2-CG 4.3Å; E256-Q258 HydrophobicContact CG-CG 4.09Å; E256-Q258 PolarHBondContact OE1-NE2 2.99Å; E256-E263 PolarHBondContact N-O 3.39Å; E256-E263 PolarHBondContact O-N 3.43Å; E256-K265 HydrophobicContact CB-CD 3.86Å; E256-K265 HydrophobicContact CB-CG 4.06Å; E256-K265 IonicContact OE2-NZ 2.81Å; E256-K265 PolarHBondContact OE2-NZ 3.3Å
257	I	92.8	Very high	93.9	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.021	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	122.8	176.4	-57.1	175.8	0	0	0	107.1	Y230 D237 K238 I240 V261 F262	Y230-I257 HydrophobicContact CD1-CD1 3.98Å; Y230-I257 HydrophobicContact CE1-CD1 4.03Å; D237-I257 CarbonylContact C-O 3.5Å; D237-I257 VanDerWaalsContact CA-O 3.22Å; D237-I257 WeakPolarHBondContact CA-O 3.19Å; K238-I257 PolarHBondContact N-O 3.19Å; K238-I257 PolarHBondContact O-N 3.25Å; I240-I257 HydrophobicContact CD1-CD1 3.67Å; I240-I257 HydrophobicContact CD1-CG1 4.33Å; I240-I257 HydrophobicContact CG1-CD1 4.16Å; I240-I257 HydrophobicContact CG1-CG1 4.45Å; I240-I257 HydrophobicContact CG2-CD1 4.28Å; I257-V261 CarbonylContact C-O 3.54Å; I257-V261 WeakPolarHBondContact CA-O 3.28Å; I257-F262 HydrophobicContact CD1-CD1 4.09Å; I257-F262 HydrophobicContact CD1-CE1 3.8Å; I257-F262 HydrophobicContact CG1-CD1 3.84Å; I257-F262 HydrophobicContact CG1-CE1 3.97Å; I257-F262 HydrophobicContact CG2-CD1 4.48Å; I257-F262 HydrophobicContact CG2-CE1 4.17Å; I257-F262 HydrophobicContact CG2-CZ 4.32Å
258	Q	90	Very high	93.6	Very high	80 Å²	80	23.4 Å²	23.4	37%	0.374	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	108.3	176.6	-65.5	179.7	5.4	0	0	110.4	D237 E256 G260 V261	D237-Q258 HydrophobicContact CB-CG 4.4Å; D237-Q258 WeakPolarHBondContact OD1-CA 3.5Å; E256-Q258 HydrophobicContact CG-CG 4.09Å; E256-Q258 PolarHBondContact OE1-NE2 2.99Å; Q258-G260 VanDerWaalsContact C-N 3.32Å; Q258-G260 PolarHBondContact O-N 2.91Å; Q258-G260 VanDerWaalsContact O-N 3.13Å; Q258-V261 PolarHBondContact N-O 3.08Å; Q258-V261 WeakPolarHBondContact O-CA 3.33Å; Q258-V261 VanDerWaalsContact O-CB 3.29Å; Q258-V261 WeakPolarHBondContact O-CB 3.46Å; Q258-V261 PolarHBondContact O-N 3.22Å
259	K	85	Confident	93.5	Very high	175 Å²	175	23.9 Å²	23.9	76%	0.761	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	42.3	51.4	174.4	-60.4	177.7	-175.8	169.9	0	114.7	D237 V261	D237-K259 PolarHBondContact OD1-N 2.97Å; K259-V261 VanDerWaalsContact C-N 3.33Å
260	G	83.5	Confident	93.2	Very high	17 Å²	17	25.4 Å²	25.4	18%	0.175	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	-3.5	-179.9	0	0	0	0	0	115.2	Q258 F262 D434 V435 L436	Q258-G260 VanDerWaalsContact C-N 3.32Å; Q258-G260 PolarHBondContact O-N 2.91Å; Q258-G260 VanDerWaalsContact O-N 3.13Å; G260-F262 WeakPolarHBondContact O-CD2 3.37Å; G260-D434 WeakPolarHBondContact CA-O 3.42Å; G260-V435 CarbonylContact O-C 3.6Å; G260-V435 VanDerWaalsContact O-CA 3.32Å; G260-V435 WeakPolarHBondContact O-CA 3.29Å; G260-L436 PolarHBondContact O-N 2.89Å
261	V	90.3	Very high	92.6	Very high	40 Å²	40	26.6 Å²	26.6	24%	0.242	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	126.8	168	-173	0	0	0	0	109.1	I257 Q258 K259 L436 L438	I257-V261 CarbonylContact C-O 3.54Å; I257-V261 WeakPolarHBondContact CA-O 3.28Å; Q258-V261 PolarHBondContact N-O 3.08Å; Q258-V261 WeakPolarHBondContact O-CA 3.33Å; Q258-V261 VanDerWaalsContact O-CB 3.29Å; Q258-V261 WeakPolarHBondContact O-CB 3.46Å; Q258-V261 PolarHBondContact O-N 3.22Å; K259-V261 VanDerWaalsContact C-N 3.33Å; V261-L436 CarbonylContact C-O 3.55Å; V261-L436 WeakPolarHBondContact CA-O 3.3Å; V261-L436 HydrophobicContact CG1-CD2 4.4Å; V261-L436 HydrophobicContact CG2-CB 4.33Å; V261-L436 HydrophobicContact CG2-CD2 4.41Å; V261-L438 HydrophobicContact CG1-CD1 4.1Å; V261-L438 HydrophobicContact CG1-CG 4.5Å
262	F	93.4	Very high	92.3	Very high	2 Å²	2	27 Å²	27	1%	0.009	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	106.4	176.1	-66.6	-103.1	0	0	0	107.7	A227 L228 I257 G260 V435 L436 L437 L438	A227-F262 HydrophobicContact CB-CD1 4.42Å; A227-F262 WeakPolarHBondContact O-CE1 3.28Å; L228-F262 HydrophobicContact CD2-CD1 4.17Å; L228-F262 HydrophobicContact CD2-CD2 3.8Å; L228-F262 HydrophobicContact CD2-CE1 4.28Å; L228-F262 HydrophobicContact CD2-CE2 3.94Å; L228-F262 HydrophobicContact CD2-CG 3.93Å; L228-F262 HydrophobicContact CD2-CZ 4.18Å; I257-F262 HydrophobicContact CD1-CD1 4.09Å; I257-F262 HydrophobicContact CD1-CE1 3.8Å; I257-F262 HydrophobicContact CG1-CD1 3.84Å; I257-F262 HydrophobicContact CG1-CE1 3.97Å; I257-F262 HydrophobicContact CG2-CD1 4.48Å; I257-F262 HydrophobicContact CG2-CE1 4.17Å; I257-F262 HydrophobicContact CG2-CZ 4.32Å; G260-F262 WeakPolarHBondContact O-CD2 3.37Å; F262-V435 HydrophobicContact CD2-CG1 4.03Å; F262-V435 HydrophobicContact CE2-CG1 4.04Å; F262-L436 PolarHBondContact N-O 3.23Å; F262-L437 HydrophobicContact CB-CD1 3.8Å; F262-L438 PolarHBondContact O-N 2.86Å
263	E	93.8	Very high	92.2	Very high	49 Å²	49	27 Å²	27	23%	0.229	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	118.5	-179.7	-173	-173.6	143.7	0	0	110	L255 E256 K265 L438	L255-E263 CarbonylContact C-O 3.54Å; L255-E263 VanDerWaalsContact CA-O 3.25Å; L255-E263 WeakPolarHBondContact CA-O 3.42Å; E256-E263 PolarHBondContact N-O 3.39Å; E256-E263 PolarHBondContact O-N 3.43Å; E263-K265 HydrophobicContact CG-CD 4.11Å; E263-K265 PolarHBondContact O-N 3.49Å; E263-K265 WeakPolarHBondContact OE1-CD 3.46Å; E263-K265 IonicContact OE1-NZ 3.36Å; E263-K265 PolarHBondContact OE1-NZ 3.4Å; E263-K265 IonicContact OE2-NZ 3.59Å; E263-L438 HydrophobicContact CB-CB 4.37Å; E263-L438 HydrophobicContact CG-CB 4.22Å; E263-L438 HydrophobicContact CG-CD1 4.41Å
264	V	95.2	Very high	92.2	Very high	1 Å²	1	27 Å²	27	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	117.1	169.6	-175.1	0	0	0	0	107.8	L255 L438 V440	L255-V264 HydrophobicContact CD2-CG2 3.74Å; L255-V264 HydrophobicContact CG-CG2 4.16Å; V264-L438 PolarHBondContact N-O 2.98Å; V264-V440 HydrophobicContact CB-CG1 4.19Å; V264-V440 HydrophobicContact CB-CG2 4.14Å; V264-V440 HydrophobicContact CG1-CG1 4.42Å; V264-V440 HydrophobicContact CG1-CG2 3.63Å; V264-V440 WeakPolarHBondContact O-CG1 3.46Å
265	K	95.2	Very high	92.2	Very high	58 Å²	58	27.2 Å²	27.2	25%	0.252	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-39.8	176.9	-52.3	-57.1	-72.4	-160.4	0	111	I254 E256 E263 A373	I254-K265 HydrophobicContact CG2-CB 4.44Å; I254-K265 PolarHBondContact O-N 2.94Å; E256-K265 HydrophobicContact CB-CD 3.86Å; E256-K265 HydrophobicContact CB-CG 4.06Å; E256-K265 IonicContact OE2-NZ 2.81Å; E256-K265 PolarHBondContact OE2-NZ 3.3Å; E263-K265 HydrophobicContact CG-CD 4.11Å; E263-K265 PolarHBondContact O-N 3.49Å; E263-K265 WeakPolarHBondContact OE1-CD 3.46Å; E263-K265 IonicContact OE1-NZ 3.36Å; E263-K265 PolarHBondContact OE1-NZ 3.4Å; E263-K265 IonicContact OE2-NZ 3.59Å; K265-A373 HydrophobicContact CB-CB 3.65Å
266	S	95	Very high	92.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	155.7	176.7	70.4	0	0	0	0	111.6	S253 I254 A369 A373 N461	S253-S266 WeakPolarHBondContact CA-O 3.42Å; I254-S266 PolarHBondContact N-O 3.44Å; I254-S266 PolarHBondContact O-N 2.98Å; S266-A369 WeakPolarHBondContact CB-O 3.43Å; S266-A369 VanDerWaalsContact OG-C 3.32Å; S266-A369 PolarHBondContact OG-O 3.03Å; S266-A373 WeakPolarHBondContact OG-CB 3.47Å; S266-N461 WeakPolarHBondContact CA-OD1 3.4Å
267	T	93.8	Very high	92.3	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146	169.7	-166.9	0	0	0	0	111.4	A195 I252 S253 V440 P442 N461	A195-T267 HydrophobicContact CB-CG2 4.49Å; A195-T267 VanDerWaalsContact CB-OG1 3.32Å; A195-T267 WeakPolarHBondContact CB-OG1 3.3Å; I252-T267 CarbonylContact O-C 3.49Å; I252-T267 WeakPolarHBondContact O-CA 3.47Å; I252-T267 PolarHBondContact O-OG1 3.22Å; S253-T267 PolarHBondContact OG-OG1 2.92Å; T267-V440 HydrophobicContact CG2-CG2 4.15Å; T267-P442 HydrophobicContact CG2-CB 3.93Å; T267-N461 PolarHBondContact N-OD1 3.16Å
268	N	92	Very high	92.6	Very high	10 Å²	10	26.6 Å²	26.6	5%	0.053	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	170.4	174.5	-144.5	-80.6	0	0	0	109.5	I252 P365 A369	I252-N268 HydrophobicContact CG2-CB 3.95Å; I252-N268 WeakPolarHBondContact CG2-O 3.48Å; I252-N268 PolarHBondContact N-O 3.01Å; I252-N268 PolarHBondContact O-N 3.31Å; N268-P365 HydrophobicContact CB-CB 4.1Å; N268-A369 HydrophobicContact CB-CB 4.18Å
269	G	91.8	Very high	92.9	Very high	11 Å²	11	23 Å²	23	11%	0.113	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.6	-171.9	-179.5	0	0	0	0	0	114.6	F250	F250-G269 CarbonylContact O-C 3.58Å; F250-G269 WeakPolarHBondContact O-CA 3.33Å
270	D	89.3	Confident	93.5	Very high	39 Å²	39	15.7 Å²	15.7	21%	0.209	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	106.7	173.7	-173.4	-26.3	0	0	0	108.2	F250 F272 L273 R361	F250-D270 HydrophobicContact CB-CB 4.44Å; F250-D270 PolarHBondContact N-O 3.47Å; F250-D270 PolarHBondContact O-N 3.2Å; D270-F272 PolarHBondContact O-N 2.98Å; D270-F272 WeakPolarHBondContact OD1-CA 3.43Å; D270-F272 PolarHBondContact OD1-N 2.66Å; D270-L273 HydrophobicContact CB-CB 3.83Å; D270-L273 HydrophobicContact CB-CD2 4.22Å; D270-R361 IonicContact OD1-NH2 2.88Å; D270-R361 IonicContact OD2-CZ 2.77Å; D270-R361 IonicContact OD2-NE 2.88Å; D270-R361 IonicContact OD2-NH2 2.73Å; D270-R361 PolarHBondContact OD2-NH2 3.1Å
271	T	83.5	Confident	94.2	Very high	24 Å²	24	15.4 Å²	15.4	15%	0.147	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	6	-177.6	62.9	0	0	0	0	113.5	R126 Y196 F197	R126-T271 PolarHBondContact NH2-O 2.7Å; R126-T271 PolarHBondContact NH2-OG1 3.38Å; Y196-T271 HydrophobicContact CD1-CG2 4.16Å; Y196-T271 WeakPolarHBondContact O-CG2 3.48Å; F197-T271 HydrophobicContact CD1-CG2 4.21Å
272	F	89.6	Confident	94.5	Very high	10 Å²	10	13.5 Å²	13.5	4%	0.044	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.6	44.6	-179.1	-151.5	-104.2	0	0	0	111.8	R122 E132 K135 D136 D270 R361	R122-F272 HydrophobicContact CB-CD2 4.45Å; R122-F272 HydrophobicContact CB-CE2 4.05Å; R122-F272 HydrophobicContact CG-CE2 4.48Å; R122-F272 VanDerWaalsContact NE-CE2 3.32Å; E132-F272 HydrophobicContact CB-CD1 4.05Å; E132-F272 HydrophobicContact CB-CD2 3.73Å; E132-F272 HydrophobicContact CB-CE1 3.99Å; E132-F272 HydrophobicContact CB-CE2 3.66Å; E132-F272 HydrophobicContact CB-CG 3.89Å; E132-F272 HydrophobicContact CB-CZ 3.78Å; E132-F272 HydrophobicContact CG-CB 3.96Å; E132-F272 HydrophobicContact CG-CD1 3.91Å; E132-F272 HydrophobicContact CG-CD2 3.98Å; E132-F272 HydrophobicContact CG-CE1 4.34Å; E132-F272 HydrophobicContact CG-CE2 4.39Å; E132-F272 HydrophobicContact CG-CG 3.69Å; E132-F272 WeakPolarHBondContact O-CZ 3.33Å; K135-F272 HydrophobicContact CB-CE1 4.41Å; K135-F272 HydrophobicContact CD-CE1 3.89Å; K135-F272 HydrophobicContact CG-CE1 4.34Å; D136-F272 HydrophobicContact CB-CZ 4.4Å; D136-F272 WeakPolarHBondContact OD1-CZ 3.47Å; D136-F272 VanDerWaalsContact OD2-CE2 3.23Å; D136-F272 WeakPolarHBondContact OD2-CE2 3.33Å; D136-F272 WeakPolarHBondContact OD2-CZ 3.28Å; D270-F272 PolarHBondContact O-N 2.98Å; D270-F272 WeakPolarHBondContact OD1-CA 3.43Å; D270-F272 PolarHBondContact OD1-N 2.66Å; F272-R361 PolarHBondContact O-NH2 2.88Å
273	L	95.7	Very high	94.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.072	C	C	.	.			trans	-143.4	115.6	175.6	174.8	61	0	0	0	109.4	L245 G248 T249 F250 D270 L358 R361 T362	L245-L273 HydrophobicContact CD1-CG 4.48Å; G248-L273 CarbonylContact C-O 3.48Å; G248-L273 CarbonylContact O-C 3.54Å; G248-L273 PolarHBondContact O-N 3.15Å; G248-L273 VanDerWaalsContact O-N 3.17Å; T249-L273 CarbonylContact C-O 3.57Å; T249-L273 WeakPolarHBondContact CA-O 3.24Å; T249-L273 PolarHBondContact N-O 2.81Å; F250-L273 HydrophobicContact CB-CB 4.31Å; F250-L273 HydrophobicContact CB-CD2 4.14Å; F250-L273 HydrophobicContact CB-CG 4.27Å; F250-L273 HydrophobicContact CD1-CD2 4.41Å; F250-L273 HydrophobicContact CG-CD2 4.48Å; F250-L273 PolarHBondContact N-O 2.83Å; F250-L273 VanDerWaalsContact N-O 3.11Å; D270-L273 HydrophobicContact CB-CB 3.83Å; D270-L273 HydrophobicContact CB-CD2 4.22Å; L273-L358 HydrophobicContact CD1-CB 4.16Å; L273-L358 HydrophobicContact CD1-CD2 4.1Å; L273-R361 HydrophobicContact CD2-CB 3.78Å; L273-T362 HydrophobicContact CD2-CG2 3.77Å
274	G	97	Very high	94.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-169.1	-168.3	173.8	0	0	0	0	0	112.7	G246 G247 E276 D277 F278	G246-G274 CarbonylContact O-C 3.59Å; G246-G274 WeakPolarHBondContact O-CA 3.23Å; G247-G274 CarbonylContact O-C 3.52Å; G247-G274 WeakPolarHBondContact O-CA 3.23Å; G274-E276 PolarHBondContact O-N 3.47Å; G274-E276 VanDerWaalsContact O-N 3.08Å; G274-D277 PolarHBondContact N-OD2 2.87Å; G274-D277 WeakPolarHBondContact O-CB 3.24Å; G274-D277 PolarHBondContact O-N 3.23Å; G274-F278 VanDerWaalsContact O-CD2 3.31Å; G274-F278 WeakPolarHBondContact O-CD2 3.5Å; G274-F278 PolarHBondContact O-N 3.48Å
275	G	97.5	Very high	95	Very high	4 Å²	4	19.7 Å²	19.7	4%	0.041	10%	0.095	C	C	.	.	H	α-helix	trans	-48.9	-33.2	-179.6	0	0	0	0	0	115.6	G246 G247 D277 F278 D279	G246-G275 PolarHBondContact O-N 3.38Å; G247-G275 PolarHBondContact O-N 2.98Å; G275-D277 VanDerWaalsContact C-N 3.31Å; G275-D277 PolarHBondContact O-N 3.2Å; G275-F278 WeakPolarHBondContact O-CB 3.39Å; G275-F278 PolarHBondContact O-N 2.95Å; G275-F278 VanDerWaalsContact O-N 3.15Å; G275-D279 VanDerWaalsContact O-CG 3.28Å; G275-D279 PolarHBondContact O-N 3.22Å
276	E	96.3	Very high	95.1	Very high	27 Å²	27	16.9 Å²	16.9	13%	0.126	8%	0.083	C	C	.	.	H	α-helix	trans	-63.2	-34.6	175.3	-66.3	-61.8	141.5	0	0	112.4	T63 A119 G247 G274 F278 Q280	T63-E276 PolarHBondContact OG1-OE1 2.95Å; A119-E276 HydrophobicContact CB-CG 4.01Å; G247-E276 WeakPolarHBondContact O-CB 3.43Å; G247-E276 VanDerWaalsContact O-CG 3.31Å; G247-E276 WeakPolarHBondContact O-CG 3.21Å; G247-E276 PolarHBondContact O-N 3.29Å; G274-E276 PolarHBondContact O-N 3.47Å; G274-E276 VanDerWaalsContact O-N 3.08Å; E276-F278 VanDerWaalsContact C-N 3.32Å; E276-Q280 VanDerWaalsContact O-CB 3.26Å; E276-Q280 WeakPolarHBondContact O-CB 3.5Å; E276-Q280 PolarHBondContact O-N 2.99Å
277	D	97.5	Very high	95.2	Very high	10 Å²	10	17.6 Å²	17.6	5%	0.053	9%	0.087	C	C	.	.	H	α-helix	trans	-70.6	-32.2	175.8	-66.9	-88.8	0	0	0	111.4	R122 K135 G274 G275 A281 L358	R122-D277 IonicContact CZ-OD2 3.52Å; R122-D277 IonicContact NH1-OD2 3.96Å; R122-D277 PolarHBondContact NH1-OD2 3.25Å; R122-D277 IonicContact NH2-OD1 3.65Å; R122-D277 IonicContact NH2-OD2 2.76Å; R122-D277 PolarHBondContact NH2-OD2 2.95Å; R122-D277 VanDerWaalsContact NH2-OD2 3.15Å; K135-D277 IonicContact NZ-OD1 3.57Å; K135-D277 PolarHBondContact NZ-OD1 3.44Å; G274-D277 PolarHBondContact N-OD2 2.87Å; G274-D277 WeakPolarHBondContact O-CB 3.24Å; G274-D277 PolarHBondContact O-N 3.23Å; G275-D277 VanDerWaalsContact C-N 3.31Å; G275-D277 PolarHBondContact O-N 3.2Å; D277-A281 WeakPolarHBondContact O-CB 3.48Å; D277-A281 PolarHBondContact O-N 3.31Å; D277-L358 HydrophobicContact CB-CD1 3.96Å; D277-L358 HydrophobicContact CB-CD2 4.25Å; D277-L358 WeakPolarHBondContact O-CD1 3.33Å
278	F	98.5	Very high	95.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-70.3	-45.2	175.2	-72.6	-119.5	0	0	0	110.3	L245 G274 G275 E276 Q280 A281 L282 K316 F351 V355 L358 I359 M389 M392	L245-F278 HydrophobicContact CD2-CZ 4.41Å; G274-F278 VanDerWaalsContact O-CD2 3.31Å; G274-F278 WeakPolarHBondContact O-CD2 3.5Å; G274-F278 PolarHBondContact O-N 3.48Å; G275-F278 WeakPolarHBondContact O-CB 3.39Å; G275-F278 PolarHBondContact O-N 2.95Å; G275-F278 VanDerWaalsContact O-N 3.15Å; E276-F278 VanDerWaalsContact C-N 3.32Å; F278-Q280 VanDerWaalsContact C-N 3.31Å; F278-Q280 PolarHBondContact O-N 3.28Å; F278-A281 PolarHBondContact O-N 3.44Å; F278-L282 PolarHBondContact O-N 3.23Å; F278-K316 HydrophobicContact CB-CD 4.08Å; F278-F351 HydrophobicContact CB-CZ 4.34Å; F278-F351 HydrophobicContact CD1-CZ 4.08Å; F278-V355 HydrophobicContact CB-CG1 4.31Å; F278-V355 HydrophobicContact CD1-CB 3.73Å; F278-V355 HydrophobicContact CD1-CG1 3.83Å; F278-V355 HydrophobicContact CD1-CG2 3.75Å; F278-V355 HydrophobicContact CE1-CB 3.93Å; F278-V355 HydrophobicContact CE1-CG2 3.75Å; F278-V355 HydrophobicContact CG-CB 4.44Å; F278-V355 HydrophobicContact CG-CG1 4.26Å; F278-L358 HydrophobicContact CD2-CB 4.33Å; F278-L358 HydrophobicContact CD2-CD1 3.76Å; F278-L358 HydrophobicContact CE2-CB 3.78Å; F278-L358 HydrophobicContact CE2-CD1 4.08Å; F278-L358 HydrophobicContact CG-CD1 4.08Å; F278-L358 HydrophobicContact CZ-CB 3.91Å; F278-I359 HydrophobicContact CE1-CD1 4.36Å; F278-I359 HydrophobicContact CE1-CG1 3.85Å; F278-I359 HydrophobicContact CZ-CG1 3.9Å; F278-M389 HydrophobicContact CB-SD 4.15Å; F278-M389 HydrophobicContact CD1-CE 4.19Å; F278-M389 HydrophobicContact CD1-SD 3.96Å; F278-M389 HydrophobicContact CD2-CG 4.34Å; F278-M389 HydrophobicContact CD2-SD 4.23Å; F278-M389 HydrophobicContact CE1-CE 4.48Å; F278-M389 HydrophobicContact CE1-CG 4.48Å; F278-M389 HydrophobicContact CE1-SD 4.42Å; F278-M389 HydrophobicContact CE2-CG 4.26Å; F278-M389 HydrophobicContact CG-CG 4.49Å; F278-M389 HydrophobicContact CG-SD 3.87Å; F278-M389 HydrophobicContact CZ-CG 4.34Å; F278-M392 HydrophobicContact CD1-SD 4.2Å; F278-M392 HydrophobicContact CE1-SD 3.86Å
279	D	97.6	Very high	95.6	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.027	12%	0.122	C	C	.	.	H	α-helix	trans	-60	-43.9	174.7	-65.9	-28.4	0	0	0	110.7	G275 A281 L282 L283 E313 K316	G275-D279 VanDerWaalsContact O-CG 3.28Å; G275-D279 PolarHBondContact O-N 3.22Å; D279-A281 PolarHBondContact O-N 3.26Å; D279-L282 PolarHBondContact O-N 2.99Å; D279-L283 VanDerWaalsContact O-CB 3.28Å; D279-L283 WeakPolarHBondContact O-CB 3.42Å; D279-L283 PolarHBondContact O-N 3.38Å; D279-E313 WeakPolarHBondContact OD1-CA 3.31Å; D279-K316 WeakPolarHBondContact OD1-CD 3.26Å; D279-K316 WeakPolarHBondContact OD1-CE 3.5Å; D279-K316 IonicContact OD1-NZ 3.27Å; D279-K316 PolarHBondContact OD1-NZ 2.81Å; D279-K316 IonicContact OD2-NZ 3.98Å; D279-K316 PolarHBondContact OD2-NZ 2.88Å
280	Q	96.3	Very high	95.9	Very high	21 Å²	21	25.1 Å²	25.1	10%	0.098	12%	0.117	C	C	.	.	H	α-helix	trans	-66.9	-36.9	178.4	-173.4	64.2	3.7	0	0	112.6	N139 E276 F278 R284	N139-Q280 PolarHBondContact OD1-NE2 3.2Å; E276-Q280 VanDerWaalsContact O-CB 3.26Å; E276-Q280 WeakPolarHBondContact O-CB 3.5Å; E276-Q280 PolarHBondContact O-N 2.99Å; F278-Q280 VanDerWaalsContact C-N 3.31Å; F278-Q280 PolarHBondContact O-N 3.28Å; Q280-R284 VanDerWaalsContact CG-NH1 3.28Å; Q280-R284 WeakPolarHBondContact O-CB 3.34Å; Q280-R284 WeakPolarHBondContact O-CG 3.48Å; Q280-R284 PolarHBondContact O-N 2.93Å
281	A	97.9	Very high	96.2	Very high	10 Å²	10	27.8 Å²	27.8	8%	0.083	13%	0.127	C	C	.	.	H	α-helix	trans	-63.8	-43.8	174.9	0	0	0	0	0	111.4	D277 F278 D279 H285 I354 V355 L358	D277-A281 WeakPolarHBondContact O-CB 3.48Å; D277-A281 PolarHBondContact O-N 3.31Å; F278-A281 PolarHBondContact O-N 3.44Å; D279-A281 PolarHBondContact O-N 3.26Å; A281-H285 PolarHBondContact O-N 3.41Å; A281-H285 VanDerWaalsContact O-N 3.14Å; A281-I354 HydrophobicContact CB-CG2 3.94Å; A281-V355 HydrophobicContact CB-CG1 4.14Å; A281-L358 HydrophobicContact CB-CD1 4.29Å
282	L	98.3	Very high	96.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-68.8	-42.1	176.6	-179	54.5	0	0	0	112.2	F278 D279 R284 H285 I286 A312 A315 L346 F351 I354	F278-L282 PolarHBondContact O-N 3.23Å; D279-L282 PolarHBondContact O-N 2.99Å; L282-R284 VanDerWaalsContact C-N 3.34Å; L282-R284 PolarHBondContact O-N 2.8Å; L282-H285 WeakPolarHBondContact O-CB 3.32Å; L282-H285 PolarHBondContact O-N 2.98Å; L282-H285 VanDerWaalsContact O-N 3.11Å; L282-I286 HydrophobicContact CD1-CD1 4.08Å; L282-I286 HydrophobicContact CD1-CG1 4.13Å; L282-I286 HydrophobicContact CG-CD1 3.85Å; L282-I286 HydrophobicContact CG-CG1 4.4Å; L282-I286 WeakPolarHBondContact O-CG1 3.08Å; L282-I286 PolarHBondContact O-N 2.88Å; L282-A312 HydrophobicContact CB-CB 4.39Å; L282-A312 HydrophobicContact CD2-CB 4.13Å; L282-A312 WeakPolarHBondContact CD2-O 3.01Å; L282-A312 HydrophobicContact CG-CB 4.06Å; L282-A315 HydrophobicContact CD2-CB 4.26Å; L282-L346 HydrophobicContact CD1-CD1 4.44Å; L282-L346 HydrophobicContact CD1-CD2 3.55Å; L282-L346 HydrophobicContact CD2-CD2 3.95Å; L282-L346 HydrophobicContact CG-CD2 4.4Å; L282-F351 HydrophobicContact CB-CD2 4.4Å; L282-F351 HydrophobicContact CB-CE2 4.16Å; L282-F351 HydrophobicContact CD1-CD2 4.4Å; L282-F351 HydrophobicContact CD2-CD2 4.1Å; L282-F351 HydrophobicContact CD2-CE2 4.16Å; L282-I354 HydrophobicContact CD1-CD1 4.1Å
283	L	97.3	Very high	97	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.026	17%	0.172	C	C	.	.	H	α-helix	trans	-55.4	-48.9	174.3	176.4	60.9	0	0	0	111.3	D279 H285 I286 V287 L305 V308 R309	D279-L283 VanDerWaalsContact O-CB 3.28Å; D279-L283 WeakPolarHBondContact O-CB 3.42Å; D279-L283 PolarHBondContact O-N 3.38Å; L283-H285 VanDerWaalsContact C-N 3.28Å; L283-H285 PolarHBondContact O-N 3.48Å; L283-I286 PolarHBondContact O-N 3.18Å; L283-V287 HydrophobicContact CD1-CG2 3.98Å; L283-V287 HydrophobicContact CG-CG2 4.41Å; L283-V287 WeakPolarHBondContact O-CB 3.45Å; L283-V287 WeakPolarHBondContact O-CG2 3.16Å; L283-V287 PolarHBondContact O-N 2.91Å; L283-L305 HydrophobicContact CD1-CD1 3.96Å; L283-L305 HydrophobicContact CD2-CD1 4.2Å; L283-L305 HydrophobicContact CG-CD1 4.34Å; L283-V308 HydrophobicContact CD1-CB 3.65Å; L283-V308 HydrophobicContact CD1-CG1 3.35Å; L283-R309 HydrophobicContact CD2-CB 4.32Å
284	R	96.8	Very high	96.8	Very high	127 Å²	127	41.1 Å²	41.1	48%	0.479	18%	0.183	S	C	.	.	H	α-helix	trans	-60.3	-39.2	177.2	-76.3	-172.2	-62.5	-108.2	-5.4	112.2	Q280 L282 K288	Q280-R284 VanDerWaalsContact CG-NH1 3.28Å; Q280-R284 WeakPolarHBondContact O-CB 3.34Å; Q280-R284 WeakPolarHBondContact O-CG 3.48Å; Q280-R284 PolarHBondContact O-N 2.93Å; L282-R284 VanDerWaalsContact C-N 3.34Å; L282-R284 PolarHBondContact O-N 2.8Å; R284-K288 VanDerWaalsContact O-CB 3.24Å; R284-K288 WeakPolarHBondContact O-CB 3.21Å; R284-K288 PolarHBondContact O-N 2.68Å
285	H	97.9	Very high	96.6	Very high	50 Å²	50	44 Å²	44	23%	0.231	21%	0.213	C	C	.	.	H	α-helix	trans	-62.1	-51.7	174.4	179.8	78	0	0	0	110.7	A281 L282 L283 V287 K288 E289 I354	A281-H285 PolarHBondContact O-N 3.41Å; A281-H285 VanDerWaalsContact O-N 3.14Å; L282-H285 WeakPolarHBondContact O-CB 3.32Å; L282-H285 PolarHBondContact O-N 2.98Å; L282-H285 VanDerWaalsContact O-N 3.11Å; L283-H285 VanDerWaalsContact C-N 3.28Å; L283-H285 PolarHBondContact O-N 3.48Å; H285-V287 PolarHBondContact O-N 3.48Å; H285-K288 WeakPolarHBondContact O-CB 3.36Å; H285-K288 PolarHBondContact O-N 3.04Å; H285-K288 VanDerWaalsContact O-N 3.17Å; H285-E289 VanDerWaalsContact O-CG 3.31Å; H285-E289 WeakPolarHBondContact O-CG 3.49Å; H285-E289 PolarHBondContact O-N 3.45Å; H285-I354 HydrophobicContact CB-CD1 3.88Å; H285-I354 HydrophobicContact CB-CG1 4.41Å; H285-I354 HydrophobicContact CB-CG2 4.48Å; H285-I354 VanDerWaalsContact CG-CD1 3.47Å
286	I	98	Very high	96.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.6	-47.3	-179.4	-64	161.9	0	0	0	111.5	L282 L283 K288 E289 F290 V308 A312 I327 L342 M344	L282-I286 HydrophobicContact CD1-CD1 4.08Å; L282-I286 HydrophobicContact CD1-CG1 4.13Å; L282-I286 HydrophobicContact CG-CD1 3.85Å; L282-I286 HydrophobicContact CG-CG1 4.4Å; L282-I286 WeakPolarHBondContact O-CG1 3.08Å; L282-I286 PolarHBondContact O-N 2.88Å; L283-I286 PolarHBondContact O-N 3.18Å; I286-K288 VanDerWaalsContact C-N 3.32Å; I286-K288 PolarHBondContact O-N 3.42Å; I286-E289 PolarHBondContact O-N 2.98Å; I286-F290 VanDerWaalsContact O-CB 3.32Å; I286-F290 WeakPolarHBondContact O-CB 3.46Å; I286-F290 PolarHBondContact O-N 3.05Å; I286-V308 HydrophobicContact CB-CG1 3.93Å; I286-V308 HydrophobicContact CD1-CG1 4.11Å; I286-V308 HydrophobicContact CG2-CG1 3.48Å; I286-V308 VanDerWaalsContact CG2-CG1 3.48Å; I286-A312 HydrophobicContact CD1-CB 3.91Å; I286-I327 HydrophobicContact CD1-CD1 3.58Å; I286-I327 HydrophobicContact CG1-CD1 4.11Å; I286-L342 HydrophobicContact CG2-CD1 4.02Å; I286-L342 HydrophobicContact CG2-CD2 3.51Å; I286-L342 HydrophobicContact CG2-CG 4.43Å; I286-M344 HydrophobicContact CG1-SD 3.97Å; I286-M344 HydrophobicContact CG2-CE 4.41Å
287	V	96.9	Very high	96.3	Very high	15 Å²	15	45.7 Å²	45.7	9%	0.091	22%	0.223	C	C	.	.	H	α-helix	trans	-61.6	-41.2	178.7	170.3	0	0	0	0	111.3	L283 H285 K291 L298 T299 L305	L283-V287 HydrophobicContact CD1-CG2 3.98Å; L283-V287 HydrophobicContact CG-CG2 4.41Å; L283-V287 WeakPolarHBondContact O-CB 3.45Å; L283-V287 WeakPolarHBondContact O-CG2 3.16Å; L283-V287 PolarHBondContact O-N 2.91Å; H285-V287 PolarHBondContact O-N 3.48Å; V287-K291 WeakPolarHBondContact O-CB 3.41Å; V287-K291 PolarHBondContact O-N 2.73Å; V287-L298 HydrophobicContact CG1-CB 4.42Å; V287-L298 HydrophobicContact CG2-CB 4.4Å; V287-T299 HydrophobicContact CG1-CG2 3.93Å; V287-L305 HydrophobicContact CG2-CD1 3.8Å
288	K	97.5	Very high	96	Very high	146 Å²	146	45.3 Å²	45.3	64%	0.635	22%	0.221	S	C	*	.	H	α-helix	trans	-64	-46.7	178.1	-178.9	-176.1	176.6	-174.4	0	111.6	R284 H285 I286 K291 R292	R284-K288 VanDerWaalsContact O-CB 3.24Å; R284-K288 WeakPolarHBondContact O-CB 3.21Å; R284-K288 PolarHBondContact O-N 2.68Å; H285-K288 WeakPolarHBondContact O-CB 3.36Å; H285-K288 PolarHBondContact O-N 3.04Å; H285-K288 VanDerWaalsContact O-N 3.17Å; I286-K288 VanDerWaalsContact C-N 3.32Å; I286-K288 PolarHBondContact O-N 3.42Å; K288-K291 PolarHBondContact O-N 3.3Å; K288-R292 WeakPolarHBondContact O-CB 3.37Å; K288-R292 PolarHBondContact O-N 3.18Å
289	E	97.1	Very high	95.6	Very high	32 Å²	32	49 Å²	49	15%	0.15	24%	0.244	C	C	.	.	H	α-helix	trans	-67.4	-42	179.7	-62.5	-65.8	100.5	0	0	111.1	H285 I286 K291 R292 E293 M344	H285-E289 VanDerWaalsContact O-CG 3.31Å; H285-E289 WeakPolarHBondContact O-CG 3.49Å; H285-E289 PolarHBondContact O-N 3.45Å; I286-E289 PolarHBondContact O-N 2.98Å; E289-K291 VanDerWaalsContact C-N 3.34Å; E289-K291 PolarHBondContact O-N 2.91Å; E289-R292 VanDerWaalsContact CD-CZ 3.49Å; E289-R292 WeakPolarHBondContact O-CB 3.4Å; E289-R292 PolarHBondContact O-N 3.09Å; E289-R292 VanDerWaalsContact O-N 3.11Å; E289-R292 IonicContact OE1-CZ 3.56Å; E289-R292 IonicContact OE1-NH1 2.92Å; E289-R292 PolarHBondContact OE1-NH1 3.39Å; E289-R292 IonicContact OE1-NH2 3.97Å; E289-R292 IonicContact OE2-CZ 2.96Å; E289-R292 IonicContact OE2-NH1 2.69Å; E289-R292 PolarHBondContact OE2-NH1 2.92Å; E289-R292 IonicContact OE2-NH2 2.64Å; E289-R292 PolarHBondContact OE2-NH2 3.09Å; E289-E293 WeakPolarHBondContact O-CG 3.45Å; E289-E293 PolarHBondContact O-N 2.74Å; E289-M344 HydrophobicContact CB-CE 3.43Å; E289-M344 VanDerWaalsContact CB-CE 3.43Å; E289-M344 HydrophobicContact CG-CE 3.93Å
290	F	96.6	Very high	95.2	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.009	28%	0.278	C	S	.	.	H	α-helix	trans	-60.1	-43.4	175.3	-175.5	-94.3	0	0	0	111.9	I286 R292 E293 T294 V296 L298 L332 T333 K340 L342	I286-F290 VanDerWaalsContact O-CB 3.32Å; I286-F290 WeakPolarHBondContact O-CB 3.46Å; I286-F290 PolarHBondContact O-N 3.05Å; F290-R292 VanDerWaalsContact C-N 3.33Å; F290-R292 PolarHBondContact O-N 2.99Å; F290-E293 PolarHBondContact O-N 3.45Å; F290-T294 WeakPolarHBondContact CD1-OG1 3.42Å; F290-T294 HydrophobicContact CD2-CG2 4.11Å; F290-T294 HydrophobicContact CE1-CG2 4.28Å; F290-T294 WeakPolarHBondContact CE1-OG1 3.39Å; F290-T294 HydrophobicContact CE2-CG2 3.83Å; F290-T294 HydrophobicContact CG-CG2 4.47Å; F290-T294 HydrophobicContact CZ-CG2 3.93Å; F290-T294 WeakPolarHBondContact O-CB 3.38Å; F290-T294 PolarHBondContact O-N 3.1Å; F290-T294 PolarHBondContact O-OG1 3.16Å; F290-V296 HydrophobicContact CE1-CB 3.98Å; F290-V296 HydrophobicContact CE1-CG1 4.33Å; F290-L298 HydrophobicContact CB-CD1 4.2Å; F290-L298 HydrophobicContact CD1-CD1 3.5Å; F290-L298 VanDerWaalsContact CD1-CD1 3.5Å; F290-L298 HydrophobicContact CD1-CD2 4Å; F290-L298 HydrophobicContact CD1-CG 3.51Å; F290-L298 HydrophobicContact CD2-CD1 4.5Å; F290-L298 HydrophobicContact CE1-CD1 3.9Å; F290-L298 HydrophobicContact CE1-CD2 3.58Å; F290-L298 HydrophobicContact CE1-CG 3.66Å; F290-L298 HydrophobicContact CG-CD1 3.81Å; F290-L298 HydrophobicContact CG-CG 4.34Å; F290-L298 HydrophobicContact CZ-CD2 4.25Å; F290-L332 HydrophobicContact CD2-CD2 4.49Å; F290-L332 HydrophobicContact CE2-CD2 4.16Å; F290-L332 HydrophobicContact CZ-CD2 4.36Å; F290-T333 HydrophobicContact CE1-CG2 4.1Å; F290-T333 HydrophobicContact CZ-CG2 4.02Å; F290-K340 HydrophobicContact CZ-CB 3.9Å; F290-L342 HydrophobicContact CB-CD1 4.36Å; F290-L342 HydrophobicContact CD2-CB 4.14Å; F290-L342 HydrophobicContact CD2-CD1 3.82Å; F290-L342 HydrophobicContact CE2-CB 4.25Å
291	K	95.9	Very high	94.9	Very high	96 Å²	96	58.5 Å²	58.5	42%	0.417	29%	0.287	S	S	.	.	H	α-helix	trans	-64.6	-37.4	174.8	-174.8	173.3	-177.3	171.9	0	112	V287 K288 E289 E293 G295 V296 D297	V287-K291 WeakPolarHBondContact O-CB 3.41Å; V287-K291 PolarHBondContact O-N 2.73Å; K288-K291 PolarHBondContact O-N 3.3Å; E289-K291 VanDerWaalsContact C-N 3.34Å; E289-K291 PolarHBondContact O-N 2.91Å; K291-E293 VanDerWaalsContact C-N 3.35Å; K291-G295 WeakPolarHBondContact O-CA 3.46Å; K291-G295 PolarHBondContact O-N 3.05Å; K291-V296 WeakPolarHBondContact CA-O 3.2Å; K291-V296 WeakPolarHBondContact CB-O 3.47Å; K291-D297 HydrophobicContact CD-CB 4.18Å; K291-D297 IonicContact NZ-OD2 3.49Å; K291-D297 PolarHBondContact NZ-OD2 3.08Å
292	R	96.3	Very high	94.4	Very high	156 Å²	156	61.5 Å²	61.5	59%	0.589	30%	0.301	S	S	*	.	H	α-helix	trans	-63.2	-41	175.4	-173.7	-169.6	69	-153.7	-5.9	111.7	K288 E289 F290	K288-R292 WeakPolarHBondContact O-CB 3.37Å; K288-R292 PolarHBondContact O-N 3.18Å; E289-R292 VanDerWaalsContact CD-CZ 3.49Å; E289-R292 WeakPolarHBondContact O-CB 3.4Å; E289-R292 PolarHBondContact O-N 3.09Å; E289-R292 VanDerWaalsContact O-N 3.11Å; E289-R292 IonicContact OE1-CZ 3.56Å; E289-R292 IonicContact OE1-NH1 2.92Å; E289-R292 PolarHBondContact OE1-NH1 3.39Å; E289-R292 IonicContact OE1-NH2 3.97Å; E289-R292 IonicContact OE2-CZ 2.96Å; E289-R292 IonicContact OE2-NH1 2.69Å; E289-R292 PolarHBondContact OE2-NH1 2.92Å; E289-R292 IonicContact OE2-NH2 2.64Å; E289-R292 PolarHBondContact OE2-NH2 3.09Å; F290-R292 VanDerWaalsContact C-N 3.33Å; F290-R292 PolarHBondContact O-N 2.99Å
293	E	93.6	Very high	94	Very high	120 Å²	120	66.3 Å²	66.3	56%	0.561	33%	0.325	S	S	*	.	H	α-helix	trans	-82	-38.2	-175.7	-72.4	174.7	-170.7	0	0	113.4	E289 F290 K291	E289-E293 WeakPolarHBondContact O-CG 3.45Å; E289-E293 PolarHBondContact O-N 2.74Å; F290-E293 PolarHBondContact O-N 3.45Å; K291-E293 VanDerWaalsContact C-N 3.35Å
294	T	92.4	Very high	93.8	Very high	37 Å²	37	66.2 Å²	66.2	23%	0.227	33%	0.325	C	S	.	.	H	α-helix	trans	-108	-16.5	-172.5	68.3	0	0	0	0	113.9	F290 V296	F290-T294 WeakPolarHBondContact CD1-OG1 3.42Å; F290-T294 HydrophobicContact CD2-CG2 4.11Å; F290-T294 HydrophobicContact CE1-CG2 4.28Å; F290-T294 WeakPolarHBondContact CE1-OG1 3.39Å; F290-T294 HydrophobicContact CE2-CG2 3.83Å; F290-T294 HydrophobicContact CG-CG2 4.47Å; F290-T294 HydrophobicContact CZ-CG2 3.93Å; F290-T294 WeakPolarHBondContact O-CB 3.38Å; F290-T294 PolarHBondContact O-N 3.1Å; F290-T294 PolarHBondContact O-OG1 3.16Å; T294-V296 PolarHBondContact O-N 3.15Å; T294-V296 PolarHBondContact OG1-N 3.08Å
295	G	92.6	Very high	93.7	Very high	61 Å²	61	62 Å²	62	63%	0.629	31%	0.311	S	S	*	.			trans	76.9	-6.1	-170.6	0	0	0	0	0	114.5	K291	K291-G295 WeakPolarHBondContact O-CA 3.46Å; K291-G295 PolarHBondContact O-N 3.05Å
296	V	93	Very high	93.5	Very high	27 Å²	27	60.1 Å²	60.1	16%	0.164	30%	0.303	C	S	.	.			trans	-91.1	133.8	-174	-179.5	0	0	0	0	111.3	F290 K291 T294 T333 D335	F290-V296 HydrophobicContact CE1-CB 3.98Å; F290-V296 HydrophobicContact CE1-CG1 4.33Å; K291-V296 WeakPolarHBondContact CA-O 3.2Å; K291-V296 WeakPolarHBondContact CB-O 3.47Å; T294-V296 PolarHBondContact O-N 3.15Å; T294-V296 PolarHBondContact OG1-N 3.08Å; V296-T333 HydrophobicContact CG1-CG2 3.88Å; V296-D335 HydrophobicContact CG2-CB 4.13Å
297	D	93.3	Very high	93.3	Very high	40 Å²	40	63.3 Å²	63.3	21%	0.214	32%	0.315	C	S	.	.			trans	-96.2	101.5	178.3	-164.4	-20.7	0	0	0	111.6	K291 T299 K300	K291-D297 HydrophobicContact CD-CB 4.18Å; K291-D297 IonicContact NZ-OD2 3.49Å; K291-D297 PolarHBondContact NZ-OD2 3.08Å; D297-T299 VanDerWaalsContact CG-OG1 3.3Å; D297-T299 PolarHBondContact O-N 3.26Å; D297-T299 WeakPolarHBondContact OD1-CB 3.5Å; D297-T299 WeakPolarHBondContact OD1-CG2 3.32Å; D297-T299 PolarHBondContact OD1-N 3.31Å; D297-T299 VanDerWaalsContact OD1-N 3.11Å; D297-T299 PolarHBondContact OD1-OG1 3.41Å; D297-K300 PolarHBondContact O-N 2.87Å
298	L	92.6	Very high	93.3	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-66.6	-15.6	-179.4	-65.6	176.9	0	0	0	114	V287 F290 K300 D301 A304 V308 L332 T333	V287-L298 HydrophobicContact CG1-CB 4.42Å; V287-L298 HydrophobicContact CG2-CB 4.4Å; F290-L298 HydrophobicContact CB-CD1 4.2Å; F290-L298 HydrophobicContact CD1-CD1 3.5Å; F290-L298 VanDerWaalsContact CD1-CD1 3.5Å; F290-L298 HydrophobicContact CD1-CD2 4Å; F290-L298 HydrophobicContact CD1-CG 3.51Å; F290-L298 HydrophobicContact CD2-CD1 4.5Å; F290-L298 HydrophobicContact CE1-CD1 3.9Å; F290-L298 HydrophobicContact CE1-CD2 3.58Å; F290-L298 HydrophobicContact CE1-CG 3.66Å; F290-L298 HydrophobicContact CG-CD1 3.81Å; F290-L298 HydrophobicContact CG-CG 4.34Å; F290-L298 HydrophobicContact CZ-CD2 4.25Å; L298-K300 PolarHBondContact O-N 3.01Å; L298-K300 VanDerWaalsContact O-N 3.09Å; L298-D301 PolarHBondContact O-N 2.9Å; L298-D301 VanDerWaalsContact O-N 3.08Å; L298-A304 HydrophobicContact CD2-CB 3.99Å; L298-V308 HydrophobicContact CD1-CG2 3.97Å; L298-L332 HydrophobicContact CD1-CD2 3.72Å; L298-L332 HydrophobicContact CD2-CD2 4.24Å; L298-L332 HydrophobicContact CD2-CG 4.26Å; L298-T333 HydrophobicContact CD2-CG2 3.73Å
299	T	89.7	Confident	93.2	Very high	79 Å²	79	56.8 Å²	56.8	49%	0.485	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-66	-12.9	179.3	64.1	0	0	0	0	113.4	V287 D297	V287-T299 HydrophobicContact CG1-CG2 3.93Å; D297-T299 VanDerWaalsContact CG-OG1 3.3Å; D297-T299 PolarHBondContact O-N 3.26Å; D297-T299 WeakPolarHBondContact OD1-CB 3.5Å; D297-T299 WeakPolarHBondContact OD1-CG2 3.32Å; D297-T299 PolarHBondContact OD1-N 3.31Å; D297-T299 VanDerWaalsContact OD1-N 3.11Å; D297-T299 PolarHBondContact OD1-OG1 3.41Å
300	K	88.6	Confident	93.1	Very high	174 Å²	174	58 Å²	58	76%	0.757	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-91.8	-7.8	177.6	-59.6	-177.8	-179.6	-179.1	0	113.4	D297 L298	D297-K300 PolarHBondContact O-N 2.87Å; L298-K300 PolarHBondContact O-N 3.01Å; L298-K300 VanDerWaalsContact O-N 3.09Å
301	D	90.1	Very high	93.1	Very high	51 Å²	51	58.7 Å²	58.7	27%	0.273	30%	0.296	S	S	.	.			trans	-119.9	96.6	-176.8	-177	-19.7	0	0	0	109.2	L298 M303 A304 L305 T333	L298-D301 PolarHBondContact O-N 2.9Å; L298-D301 VanDerWaalsContact O-N 3.08Å; D301-M303 VanDerWaalsContact C-N 3.27Å; D301-M303 PolarHBondContact O-N 3.27Å; D301-M303 PolarHBondContact OD1-N 3.32Å; D301-A304 HydrophobicContact CB-CB 3.87Å; D301-A304 PolarHBondContact O-N 2.9Å; D301-A304 PolarHBondContact OD1-N 3.24Å; D301-A304 WeakPolarHBondContact OD2-CB 3.28Å; D301-L305 WeakPolarHBondContact O-CB 3.45Å; D301-L305 PolarHBondContact O-N 2.82Å; D301-T333 PolarHBondContact OD2-OG1 2.86Å
302	N	87.9	Confident	93.2	Very high	72 Å²	72	54.1 Å²	54.1	39%	0.385	28%	0.276	S	S	.	.	H	α-helix	trans	-60.8	-35.8	-174.9	-73.1	1.1	0	0	0	112.6	P113 N114 Q306	P113-N302 HydrophobicContact CG-CB 4.41Å; N114-N302 PolarHBondContact OD1-ND2 3.19Å; N302-Q306 WeakPolarHBondContact O-CB 3.47Å; N302-Q306 PolarHBondContact O-N 3.28Å
303	M	89.9	Confident	93.3	Very high	102 Å²	102	48.8 Å²	48.8	50%	0.502	26%	0.258	S	S	.	.	H	α-helix	trans	-70.5	-46.4	179.3	-72.8	-179.1	64.9	0	0	110.6	D301 L305 Q306 R307	D301-M303 VanDerWaalsContact C-N 3.27Å; D301-M303 PolarHBondContact O-N 3.27Å; D301-M303 PolarHBondContact OD1-N 3.32Å; M303-L305 VanDerWaalsContact C-N 3.35Å; M303-L305 PolarHBondContact O-N 3.14Å; M303-Q306 PolarHBondContact O-N 3.22Å; M303-R307 WeakPolarHBondContact O-CG 3.42Å; M303-R307 PolarHBondContact O-N 3.44Å; M303-R307 VanDerWaalsContact O-N 3.09Å
304	A	93.2	Very high	93.5	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.017	26%	0.259	C	S	.	.	H	α-helix	trans	-61.5	-45.1	175.9	0	0	0	0	0	111.2	L298 D301 Q306 R307 V308 L332	L298-A304 HydrophobicContact CD2-CB 3.99Å; D301-A304 HydrophobicContact CB-CB 3.87Å; D301-A304 PolarHBondContact O-N 2.9Å; D301-A304 PolarHBondContact OD1-N 3.24Å; D301-A304 WeakPolarHBondContact OD2-CB 3.28Å; A304-Q306 VanDerWaalsContact C-N 3.32Å; A304-Q306 PolarHBondContact O-N 2.95Å; A304-R307 WeakPolarHBondContact O-CB 3.46Å; A304-R307 PolarHBondContact O-N 2.72Å; A304-R307 VanDerWaalsContact O-N 3.17Å; A304-V308 WeakPolarHBondContact O-CG2 3.12Å; A304-V308 PolarHBondContact O-N 2.76Å; A304-L332 HydrophobicContact CB-CD1 3.94Å; A304-L332 HydrophobicContact CB-CG 4.21Å; A304-L332 VanDerWaalsContact CB-O 3.29Å; A304-L332 WeakPolarHBondContact CB-O 3.46Å
305	L	93.6	Very high	93.7	Very high	38 Å²	38	47.7 Å²	47.7	20%	0.199	25%	0.249	C	C	.	.	H	α-helix	trans	-61.1	-40.2	179.1	-169.8	67.9	0	0	0	112.1	L283 V287 D301 M303 V308 R309	L283-L305 HydrophobicContact CD1-CD1 3.96Å; L283-L305 HydrophobicContact CD2-CD1 4.2Å; L283-L305 HydrophobicContact CG-CD1 4.34Å; V287-L305 HydrophobicContact CG2-CD1 3.8Å; D301-L305 WeakPolarHBondContact O-CB 3.45Å; D301-L305 PolarHBondContact O-N 2.82Å; M303-L305 VanDerWaalsContact C-N 3.35Å; M303-L305 PolarHBondContact O-N 3.14Å; L305-V308 PolarHBondContact O-N 2.94Å; L305-R309 PolarHBondContact O-N 2.83Å
306	Q	93.6	Very high	94	Very high	11 Å²	11	45.5 Å²	45.5	5%	0.051	22%	0.222	C	C	.	.	H	α-helix	trans	-64	-41.3	175.7	-176.9	59.2	31.7	0	0	111.9	P113 N302 M303 A304 V308 R309 E310	P113-Q306 HydrophobicContact CB-CB 4.26Å; P113-Q306 HydrophobicContact CB-CG 4.22Å; N302-Q306 WeakPolarHBondContact O-CB 3.47Å; N302-Q306 PolarHBondContact O-N 3.28Å; M303-Q306 PolarHBondContact O-N 3.22Å; A304-Q306 VanDerWaalsContact C-N 3.32Å; A304-Q306 PolarHBondContact O-N 2.95Å; Q306-V308 VanDerWaalsContact C-N 3.33Å; Q306-V308 PolarHBondContact O-N 3.23Å; Q306-R309 WeakPolarHBondContact O-CB 3.11Å; Q306-R309 PolarHBondContact O-N 3.34Å; Q306-E310 PolarHBondContact NE2-OE1 3.06Å; Q306-E310 PolarHBondContact O-N 3.25Å; Q306-E310 VanDerWaalsContact O-N 3.1Å
307	R	95.5	Very high	94.2	Very high	68 Å²	68	47.5 Å²	47.5	26%	0.257	24%	0.236	S	C	.	.	H	α-helix	trans	-61.8	-40.2	174	-68.2	175.8	65.9	-161.4	-1.2	112.2	V110 M303 A304 R309 A311 L329 P330 Y331 L332	V110-R307 HydrophobicContact CG1-CG 3.52Å; V110-R307 HydrophobicContact CG2-CG 4.38Å; M303-R307 WeakPolarHBondContact O-CG 3.42Å; M303-R307 PolarHBondContact O-N 3.44Å; M303-R307 VanDerWaalsContact O-N 3.09Å; A304-R307 WeakPolarHBondContact O-CB 3.46Å; A304-R307 PolarHBondContact O-N 2.72Å; A304-R307 VanDerWaalsContact O-N 3.17Å; R307-R309 VanDerWaalsContact C-N 3.33Å; R307-A311 WeakPolarHBondContact O-CB 3.31Å; R307-A311 PolarHBondContact O-N 3.18Å; R307-L329 HydrophobicContact CB-CD1 4.32Å; R307-P330 PolarHBondContact NH2-O 2.95Å; R307-Y331 PolarHBondContact NH1-O 3.18Å; R307-L332 HydrophobicContact CB-CD1 4.15Å
308	V	96.6	Very high	94.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.3	-37.3	175.5	-174.8	0	0	0	0	111.2	L283 I286 L298 A304 L305 Q306 A311 A312 L329 L332	L283-V308 HydrophobicContact CD1-CB 3.65Å; L283-V308 HydrophobicContact CD1-CG1 3.35Å; I286-V308 HydrophobicContact CB-CG1 3.93Å; I286-V308 HydrophobicContact CD1-CG1 4.11Å; I286-V308 HydrophobicContact CG2-CG1 3.48Å; I286-V308 VanDerWaalsContact CG2-CG1 3.48Å; L298-V308 HydrophobicContact CD1-CG2 3.97Å; A304-V308 WeakPolarHBondContact O-CG2 3.12Å; A304-V308 PolarHBondContact O-N 2.76Å; L305-V308 PolarHBondContact O-N 2.94Å; Q306-V308 VanDerWaalsContact C-N 3.33Å; Q306-V308 PolarHBondContact O-N 3.23Å; V308-A311 PolarHBondContact O-N 2.66Å; V308-A312 WeakPolarHBondContact O-CB 3.42Å; V308-A312 PolarHBondContact O-N 3.12Å; V308-L329 HydrophobicContact CB-CD1 4.47Å; V308-L329 HydrophobicContact CG2-CD1 3.95Å; V308-L332 HydrophobicContact CG2-CD1 4.01Å; V308-L332 HydrophobicContact CG2-CD2 3.8Å; V308-L332 HydrophobicContact CG2-CG 4.5Å
309	R	95.2	Very high	94.7	Very high	23 Å²	23	48.7 Å²	48.7	9%	0.087	24%	0.24	C	C	.	.	H	α-helix	trans	-60	-48.8	176.4	-177	-179.6	-61.8	-82.5	-3.9	111.9	Y118 N139 L283 L305 Q306 R307 A311 A312 E313	Y118-R309 WeakPolarHBondContact OH-CD 3.3Å; Y118-R309 PolarHBondContact OH-NE 3.39Å; N139-R309 PolarHBondContact O-NH2 2.99Å; L283-R309 HydrophobicContact CD2-CB 4.32Å; L305-R309 PolarHBondContact O-N 2.83Å; Q306-R309 WeakPolarHBondContact O-CB 3.11Å; Q306-R309 PolarHBondContact O-N 3.34Å; R307-R309 VanDerWaalsContact C-N 3.33Å; R309-A311 VanDerWaalsContact C-N 3.31Å; R309-A311 PolarHBondContact O-N 2.67Å; R309-A312 WeakPolarHBondContact O-CB 3.42Å; R309-A312 PolarHBondContact O-N 3.12Å; R309-E313 PolarHBondContact O-N 2.73Å
310	E	95	Very high	95.1	Very high	59 Å²	59	46.3 Å²	46.3	28%	0.276	23%	0.227	S	C	.	.	H	α-helix	trans	-63.2	-39.6	177.5	-71.8	175.2	-162.4	0	0	111.8	V110 Q306 A312 E313 K314	V110-E310 VanDerWaalsContact CG2-CD 3.43Å; V110-E310 WeakPolarHBondContact CG2-OE1 3.33Å; V110-E310 WeakPolarHBondContact CG2-OE2 3.31Å; Q306-E310 PolarHBondContact NE2-OE1 3.06Å; Q306-E310 PolarHBondContact O-N 3.25Å; Q306-E310 VanDerWaalsContact O-N 3.1Å; E310-A312 VanDerWaalsContact C-N 3.33Å; E310-A312 PolarHBondContact O-N 3.11Å; E310-E313 PolarHBondContact O-N 2.95Å; E310-K314 WeakPolarHBondContact O-CB 3.44Å; E310-K314 PolarHBondContact O-N 3.46Å
311	A	97.5	Very high	95.4	Very high	15 Å²	15	42.7 Å²	42.7	12%	0.124	22%	0.224	C	C	.	.	H	α-helix	trans	-66.1	-34.9	175.3	0	0	0	0	0	112.6	R307 V308 R309 A315 I327 L329	R307-A311 WeakPolarHBondContact O-CB 3.31Å; R307-A311 PolarHBondContact O-N 3.18Å; V308-A311 PolarHBondContact O-N 2.66Å; R309-A311 VanDerWaalsContact C-N 3.31Å; R309-A311 PolarHBondContact O-N 2.67Å; A311-A315 VanDerWaalsContact O-CB 3.24Å; A311-A315 WeakPolarHBondContact O-CB 3.49Å; A311-A315 PolarHBondContact O-N 2.86Å; A311-I327 HydrophobicContact CB-CG2 3.98Å; A311-L329 HydrophobicContact CB-CD1 3.9Å; A311-L329 HydrophobicContact CB-CD2 4.1Å; A311-L329 HydrophobicContact CB-CG 4.21Å
312	A	97.8	Very high	95.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.4	-47.1	175.7	0	0	0	0	0	111.7	L282 I286 V308 R309 E310 K314 A315 K316	L282-A312 HydrophobicContact CB-CB 4.39Å; L282-A312 HydrophobicContact CD2-CB 4.13Å; L282-A312 WeakPolarHBondContact CD2-O 3.01Å; L282-A312 HydrophobicContact CG-CB 4.06Å; I286-A312 HydrophobicContact CD1-CB 3.91Å; V308-A312 WeakPolarHBondContact O-CB 3.42Å; V308-A312 PolarHBondContact O-N 3.12Å; R309-A312 WeakPolarHBondContact O-CB 3.42Å; R309-A312 PolarHBondContact O-N 3.12Å; E310-A312 VanDerWaalsContact C-N 3.33Å; E310-A312 PolarHBondContact O-N 3.11Å; A312-K314 VanDerWaalsContact C-N 3.31Å; A312-K314 PolarHBondContact O-N 2.85Å; A312-A315 PolarHBondContact O-N 3.05Å; A312-K316 WeakPolarHBondContact O-CB 3.33Å; A312-K316 PolarHBondContact O-N 3.28Å
313	E	97.1	Very high	96.2	Very high	44 Å²	44	44.5 Å²	44.5	21%	0.206	24%	0.241	C	C	.	.	H	α-helix	trans	-57.8	-46.7	174.6	-175.4	-167.8	-177.4	0	0	110.3	K106 D279 R309 E310 A315 K316 C317	K106-E313 IonicContact NZ-OE1 3.85Å; K106-E313 PolarHBondContact NZ-OE1 2.94Å; K106-E313 VanDerWaalsContact NZ-OE1 3.12Å; K106-E313 IonicContact NZ-OE2 2.83Å; K106-E313 PolarHBondContact NZ-OE2 3.42Å; D279-E313 WeakPolarHBondContact OD1-CA 3.31Å; R309-E313 PolarHBondContact O-N 2.73Å; E310-E313 PolarHBondContact O-N 2.95Å; E313-A315 PolarHBondContact O-N 2.93Å; E313-K316 WeakPolarHBondContact O-CB 3.43Å; E313-K316 PolarHBondContact O-N 3.05Å; E313-C317 PolarHBondContact O-N 3.37Å; E313-C317 PolarHBondContact O-SG 3.1Å
314	K	97.5	Very high	96.6	Very high	132 Å²	132	43.6 Å²	43.6	57%	0.574	24%	0.236	S	C	*	.	H	α-helix	trans	-60.3	-48.3	178.2	-167.6	-172.6	-174.2	-146.7	0	111.9	E310 A312 K316 C317 E318	E310-K314 WeakPolarHBondContact O-CB 3.44Å; E310-K314 PolarHBondContact O-N 3.46Å; A312-K314 VanDerWaalsContact C-N 3.31Å; A312-K314 PolarHBondContact O-N 2.85Å; K314-K316 PolarHBondContact O-N 3.47Å; K314-C317 PolarHBondContact O-N 3.18Å; K314-E318 WeakPolarHBondContact CE-OE1 3.43Å; K314-E318 HydrophobicContact CG-CG 4.47Å; K314-E318 IonicContact NZ-OE1 2.77Å; K314-E318 PolarHBondContact NZ-OE1 2.97Å; K314-E318 WeakPolarHBondContact O-CG 3.4Å; K314-E318 PolarHBondContact O-N 2.92Å
315	A	98.3	Very high	96.9	Very high	2 Å²	2	44 Å²	44	2%	0.017	24%	0.238	C	C	.	.	H	α-helix	trans	-61.1	-43.6	178.5	0	0	0	0	0	112	L282 A311 A312 E313 C317 E318 L319 T325 I327	L282-A315 HydrophobicContact CD2-CB 4.26Å; A311-A315 VanDerWaalsContact O-CB 3.24Å; A311-A315 WeakPolarHBondContact O-CB 3.49Å; A311-A315 PolarHBondContact O-N 2.86Å; A312-A315 PolarHBondContact O-N 3.05Å; E313-A315 PolarHBondContact O-N 2.93Å; A315-C317 VanDerWaalsContact C-N 3.34Å; A315-C317 PolarHBondContact O-N 3.11Å; A315-E318 PolarHBondContact O-N 3.04Å; A315-L319 WeakPolarHBondContact O-CB 3.5Å; A315-L319 VanDerWaalsContact O-CG 3.23Å; A315-L319 WeakPolarHBondContact O-CG 3.41Å; A315-L319 PolarHBondContact O-N 3.17Å; A315-T325 HydrophobicContact CB-CG2 3.78Å; A315-I327 HydrophobicContact CB-CD1 3.77Å; A315-I327 HydrophobicContact CB-CG1 3.88Å
316	K	98.2	Very high	97	Very high	16 Å²	16	46 Å²	46	7%	0.07	25%	0.249	C	C	.	.	H	α-helix	trans	-55.1	-49.1	173.2	170.7	-167.2	75.5	-171.6	0	111.2	F278 D279 A312 E313 K314 L319 S320 F351 M389	F278-K316 HydrophobicContact CB-CD 4.08Å; D279-K316 WeakPolarHBondContact OD1-CD 3.26Å; D279-K316 WeakPolarHBondContact OD1-CE 3.5Å; D279-K316 IonicContact OD1-NZ 3.27Å; D279-K316 PolarHBondContact OD1-NZ 2.81Å; D279-K316 IonicContact OD2-NZ 3.98Å; D279-K316 PolarHBondContact OD2-NZ 2.88Å; A312-K316 WeakPolarHBondContact O-CB 3.33Å; A312-K316 PolarHBondContact O-N 3.28Å; E313-K316 WeakPolarHBondContact O-CB 3.43Å; E313-K316 PolarHBondContact O-N 3.05Å; K314-K316 PolarHBondContact O-N 3.47Å; K316-L319 PolarHBondContact O-N 2.85Å; K316-S320 PolarHBondContact O-N 3.34Å; K316-S320 PolarHBondContact O-OG 2.83Å; K316-F351 HydrophobicContact CB-CE1 4.48Å; K316-F351 HydrophobicContact CB-CZ 4.09Å; K316-F351 HydrophobicContact CD-CZ 4.28Å; K316-F351 HydrophobicContact CG-CE1 3.96Å; K316-F351 HydrophobicContact CG-CE2 4.49Å; K316-F351 HydrophobicContact CG-CZ 3.64Å; K316-M389 HydrophobicContact CD-CE 4.05Å; K316-M389 HydrophobicContact CD-SD 3.8Å; K316-M389 HydrophobicContact CG-CE 4.23Å
317	C	97.8	Very high	97.2	Very high	69 Å²	69	45.7 Å²	45.7	47%	0.466	25%	0.248	S	C	.	.	H	α-helix	trans	-65	-45.8	-179.6	-69.7	0	0	0	0	111.7	E313 K314 A315 L319 S320	E313-C317 PolarHBondContact O-N 3.37Å; E313-C317 PolarHBondContact O-SG 3.1Å; K314-C317 PolarHBondContact O-N 3.18Å; A315-C317 VanDerWaalsContact C-N 3.34Å; A315-C317 PolarHBondContact O-N 3.11Å; C317-L319 VanDerWaalsContact C-N 3.31Å; C317-L319 PolarHBondContact O-N 3.12Å; C317-S320 VanDerWaalsContact O-CB 3.27Å; C317-S320 WeakPolarHBondContact O-CB 3.42Å; C317-S320 PolarHBondContact O-N 2.82Å; C317-S320 VanDerWaalsContact O-N 3.08Å
318	E	98	Very high	97.3	Very high	62 Å²	62	47.2 Å²	47.2	29%	0.29	26%	0.261	S	S	.	.	H	α-helix	trans	-60.4	-38.4	177.1	-73.3	174	-177.4	0	0	112.4	K314 A315 S320 S321 S322 T325	K314-E318 WeakPolarHBondContact CE-OE1 3.43Å; K314-E318 HydrophobicContact CG-CG 4.47Å; K314-E318 IonicContact NZ-OE1 2.77Å; K314-E318 PolarHBondContact NZ-OE1 2.97Å; K314-E318 WeakPolarHBondContact O-CG 3.4Å; K314-E318 PolarHBondContact O-N 2.92Å; A315-E318 PolarHBondContact O-N 3.04Å; E318-S320 PolarHBondContact O-N 3.07Å; E318-S321 PolarHBondContact O-N 3.33Å; E318-S321 VanDerWaalsContact O-N 3.16Å; E318-S321 PolarHBondContact O-OG 2.88Å; E318-S322 WeakPolarHBondContact O-CB 3.4Å; E318-S322 PolarHBondContact O-N 3.45Å; E318-T325 WeakPolarHBondContact OE2-CB 3.37Å; E318-T325 PolarHBondContact OE2-OG1 2.88Å
319	L	98.4	Very high	97.3	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.016	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-10.8	177.4	-72.8	175.6	0	0	0	114.2	A315 K316 C317 S321 S322 T325 L346 R348 F351	A315-L319 WeakPolarHBondContact O-CB 3.5Å; A315-L319 VanDerWaalsContact O-CG 3.23Å; A315-L319 WeakPolarHBondContact O-CG 3.41Å; A315-L319 PolarHBondContact O-N 3.17Å; K316-L319 PolarHBondContact O-N 2.85Å; C317-L319 VanDerWaalsContact C-N 3.31Å; C317-L319 PolarHBondContact O-N 3.12Å; L319-S321 VanDerWaalsContact C-N 3.3Å; L319-S322 CarbonylContact C-O 3.56Å; L319-S322 WeakPolarHBondContact CA-O 3.42Å; L319-T325 HydrophobicContact CD1-CG2 4.11Å; L319-T325 HydrophobicContact CD2-CG2 3.96Å; L319-T325 HydrophobicContact CG-CG2 3.78Å; L319-L346 HydrophobicContact CD1-CD2 3.7Å; L319-L346 HydrophobicContact CD1-CG 3.99Å; L319-R348 HydrophobicContact CD2-CB 4.2Å; L319-R348 PolarHBondContact O-NE 3.48Å; L319-R348 PolarHBondContact O-NH2 3.33Å; L319-F351 HydrophobicContact CD1-CB 3.66Å; L319-F351 HydrophobicContact CD1-CD1 4.32Å; L319-F351 HydrophobicContact CD1-CG 4.09Å
320	S	97.1	Very high	97.4	Very high	29 Å²	29	50 Å²	50	20%	0.203	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-25.3	172.7	-60	0	0	0	0	112.3	K316 C317 E318 P393	K316-S320 PolarHBondContact O-N 3.34Å; K316-S320 PolarHBondContact O-OG 2.83Å; C317-S320 VanDerWaalsContact O-CB 3.27Å; C317-S320 WeakPolarHBondContact O-CB 3.42Å; C317-S320 PolarHBondContact O-N 2.82Å; C317-S320 VanDerWaalsContact O-N 3.08Å; E318-S320 PolarHBondContact O-N 3.07Å; S320-P393 WeakPolarHBondContact O-CG 3.38Å
321	S	95.8	Very high	97.3	Very high	99 Å²	99	55 Å²	55	69%	0.692	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	-34	175	59.3	0	0	0	0	112.7	E318 L319 R348	E318-S321 PolarHBondContact O-N 3.33Å; E318-S321 VanDerWaalsContact O-N 3.16Å; E318-S321 PolarHBondContact O-OG 2.88Å; L319-S321 VanDerWaalsContact C-N 3.3Å; S321-R348 VanDerWaalsContact C-NH2 3.32Å; S321-R348 PolarHBondContact O-NH2 3.41Å
322	S	97.2	Very high	97.2	Very high	53 Å²	53	54.5 Å²	54.5	37%	0.371	29%	0.293	S	S	.	.			trans	-99.9	150.9	-176.6	-56.6	0	0	0	0	112.1	E318 L319 Q324 R348	E318-S322 WeakPolarHBondContact O-CB 3.4Å; E318-S322 PolarHBondContact O-N 3.45Å; L319-S322 CarbonylContact C-O 3.56Å; L319-S322 WeakPolarHBondContact CA-O 3.42Å; S322-Q324 VanDerWaalsContact C-N 3.32Å; S322-Q324 WeakPolarHBondContact CB-O 3.34Å; S322-R348 PolarHBondContact O-NE 2.9Å; S322-R348 PolarHBondContact O-NH2 3.39Å
323	V	97.6	Very high	97	Very high	108 Å²	108	55.6 Å²	55.6	66%	0.655	30%	0.3	S	S	*	.	S	Bend	trans	-81.2	-16.2	176.8	-65.2	0	0	0	0	112.8	T347 R348	V323-T347 WeakPolarHBondContact O-CA 3Å; V323-R348 PolarHBondContact O-N 3.36Å
324	Q	98	Very high	96.7	Very high	82 Å²	82	60.4 Å²	60.4	38%	0.383	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	152.2	-179.8	179.6	178.6	-24.5	0	0	109.7	S322 L346 T347	S322-Q324 VanDerWaalsContact C-N 3.32Å; S322-Q324 WeakPolarHBondContact CB-O 3.34Å; Q324-L346 CarbonylContact C-O 3.59Å; Q324-L346 WeakPolarHBondContact CA-O 3.48Å; Q324-L346 WeakPolarHBondContact CG-O 3.31Å; Q324-T347 HydrophobicContact CB-CG2 4.47Å; Q324-T347 HydrophobicContact CG-CG2 4.31Å
325	T	98.3	Very high	96.2	Very high	10 Å²	10	56.3 Å²	56.3	6%	0.061	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	162	169.2	-179.2	0	0	0	0	110.7	A315 E318 L319 L346	A315-T325 HydrophobicContact CB-CG2 3.78Å; E318-T325 WeakPolarHBondContact OE2-CB 3.37Å; E318-T325 PolarHBondContact OE2-OG1 2.88Å; L319-T325 HydrophobicContact CD1-CG2 4.11Å; L319-T325 HydrophobicContact CD2-CG2 3.96Å; L319-T325 HydrophobicContact CG-CG2 3.78Å; T325-L346 HydrophobicContact CG2-CB 4.29Å; T325-L346 PolarHBondContact N-O 3.16Å; T325-L346 PolarHBondContact O-N 3.39Å
326	D	97.4	Very high	95.7	Very high	80 Å²	80	62.7 Å²	62.7	43%	0.428	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	113.7	175.8	-75.1	-76.3	0	0	0	109.5	N328 K345	D326-N328 PolarHBondContact O-N 3.39Å; D326-K345 WeakPolarHBondContact OD1-CE 3.26Å; D326-K345 WeakPolarHBondContact OD1-CG 3.46Å; D326-K345 IonicContact OD1-NZ 2.73Å; D326-K345 PolarHBondContact OD1-NZ 2.95Å; D326-K345 IonicContact OD2-NZ 3.28Å; D326-K345 PolarHBondContact OD2-NZ 3.47Å
327	I	97.8	Very high	95.3	Very high	6 Å²	6	66 Å²	66	3%	0.031	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	101.5	173.4	-52.9	-178.1	0	0	0	108	I286 A311 A315 L342 N343 M344 L346	I286-I327 HydrophobicContact CD1-CD1 3.58Å; I286-I327 HydrophobicContact CG1-CD1 4.11Å; A311-I327 HydrophobicContact CB-CG2 3.98Å; A315-I327 HydrophobicContact CB-CD1 3.77Å; A315-I327 HydrophobicContact CB-CG1 3.88Å; I327-L342 HydrophobicContact CG2-CD2 3.68Å; I327-L342 HydrophobicContact CG2-CG 4.43Å; I327-N343 WeakPolarHBondContact O-CA 3.31Å; I327-M344 HydrophobicContact CB-CB 4.35Å; I327-M344 PolarHBondContact N-O 3.26Å; I327-M344 PolarHBondContact O-N 2.93Å; I327-L346 HydrophobicContact CD1-CD2 4.21Å
328	N	97.1	Very high	95	Very high	100 Å²	100	63.6 Å²	63.6	54%	0.535	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	107.1	-177.8	-174.6	8.3	0	0	0	111.3	D326 L342	D326-N328 PolarHBondContact O-N 3.39Å; N328-L342 CarbonylContact C-O 3.56Å; N328-L342 WeakPolarHBondContact CA-O 3.43Å
329	L	96.9	Very high	94.8	Very high	23 Å²	23	63.9 Å²	63.9	12%	0.12	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	98.1	175.1	-60.8	176.1	0	0	0	110	R307 V308 A311 L332 H341 L342	R307-L329 HydrophobicContact CB-CD1 4.32Å; V308-L329 HydrophobicContact CB-CD1 4.47Å; V308-L329 HydrophobicContact CG2-CD1 3.95Å; A311-L329 HydrophobicContact CB-CD1 3.9Å; A311-L329 HydrophobicContact CB-CD2 4.1Å; A311-L329 HydrophobicContact CB-CG 4.21Å; L329-L332 HydrophobicContact CB-CB 4.39Å; L329-L332 HydrophobicContact CB-CD1 4.22Å; L329-L332 HydrophobicContact CD1-CD1 3.9Å; L329-L332 HydrophobicContact CD1-CD2 4.39Å; L329-H341 WeakPolarHBondContact O-CA 3.47Å; L329-L342 HydrophobicContact CB-CB 4.17Å; L329-L342 HydrophobicContact CD1-CD2 4.03Å; L329-L342 HydrophobicContact CG-CD2 4.41Å; L329-L342 PolarHBondContact N-O 3.49Å; L329-L342 PolarHBondContact O-N 3.29Å
330	P	95.9	Very high	94.6	Very high	58 Å²	58	66 Å²	66	38%	0.377	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	148.9	174.9	30.2	-34.5	0	0	0	111	R307 L332 H341	R307-P330 PolarHBondContact NH2-O 2.95Å; P330-L332 PolarHBondContact O-N 3.25Å; P330-H341 VanDerWaalsContact CA-ND1 3.29Å; P330-H341 WeakPolarHBondContact CA-ND1 3.48Å
331	Y	94.2	Very high	94.6	Very high	163 Å²	163	68.8 Å²	68.8	64%	0.639	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	50.3	48.2	178.9	-53.2	-79.9	0	0	0	111.3	R307 P339 K340 H341	R307-Y331 PolarHBondContact NH1-O 3.18Å; Y331-P339 HydrophobicContact CD1-CB 3.63Å; Y331-P339 HydrophobicContact CD1-CG 4.14Å; Y331-P339 HydrophobicContact CE1-CB 4.1Å; Y331-P339 HydrophobicContact CE1-CG 4.09Å; Y331-K340 CarbonylContact C-O 3.54Å; Y331-H341 AromaticContact CD1-CE1 3.88Å; Y331-H341 AromaticContact CE1-CE1 3.88Å; Y331-H341 PolarHBondContact N-ND1 3.02Å
332	L	94.6	Very high	94.6	Very high	6 Å²	6	64.2 Å²	64.2	3%	0.031	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-43.6	-175.9	-179	57.4	0	0	0	110.9	F290 L298 A304 R307 V308 L329 P330 K340 L342	F290-L332 HydrophobicContact CD2-CD2 4.49Å; F290-L332 HydrophobicContact CE2-CD2 4.16Å; F290-L332 HydrophobicContact CZ-CD2 4.36Å; L298-L332 HydrophobicContact CD1-CD2 3.72Å; L298-L332 HydrophobicContact CD2-CD2 4.24Å; L298-L332 HydrophobicContact CD2-CG 4.26Å; A304-L332 HydrophobicContact CB-CD1 3.94Å; A304-L332 HydrophobicContact CB-CG 4.21Å; A304-L332 VanDerWaalsContact CB-O 3.29Å; A304-L332 WeakPolarHBondContact CB-O 3.46Å; R307-L332 HydrophobicContact CB-CD1 4.15Å; V308-L332 HydrophobicContact CG2-CD1 4.01Å; V308-L332 HydrophobicContact CG2-CD2 3.8Å; V308-L332 HydrophobicContact CG2-CG 4.5Å; L329-L332 HydrophobicContact CB-CB 4.39Å; L329-L332 HydrophobicContact CB-CD1 4.22Å; L329-L332 HydrophobicContact CD1-CD1 3.9Å; L329-L332 HydrophobicContact CD1-CD2 4.39Å; P330-L332 PolarHBondContact O-N 3.25Å; L332-K340 PolarHBondContact N-O 3.23Å; L332-L342 HydrophobicContact CD2-CB 3.7Å; L332-L342 HydrophobicContact CD2-CD2 4.37Å
333	T	93.9	Very high	94.5	Very high	23 Å²	23	66.7 Å²	66.7	14%	0.141	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	-178.9	176.8	-166	0	0	0	0	109.6	F290 V296 L298 D301 K340	F290-T333 HydrophobicContact CE1-CG2 4.1Å; F290-T333 HydrophobicContact CZ-CG2 4.02Å; V296-T333 HydrophobicContact CG1-CG2 3.88Å; L298-T333 HydrophobicContact CD2-CG2 3.73Å; D301-T333 PolarHBondContact OD2-OG1 2.86Å; T333-K340 HydrophobicContact CG2-CB 4.08Å; T333-K340 PolarHBondContact O-N 3.12Å
334	M	91.6	Very high	94.5	Very high	145 Å²	145	62.5 Å²	62.5	71%	0.714	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.5	142.5	-179.5	-175	176.5	68.8	0	0	110.5
335	D	86.8	Confident	94.5	Very high	45 Å²	45	64.6 Å²	64.6	24%	0.241	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	-171.9	167.9	74.4	3.5	0	0	0	111.2	V296 S337 G338 K340	V296-D335 HydrophobicContact CG2-CB 4.13Å; D335-S337 VanDerWaalsContact CG-OG 3.31Å; D335-S337 PolarHBondContact O-N 2.92Å; D335-S337 VanDerWaalsContact O-N 3.16Å; D335-S337 WeakPolarHBondContact OD1-CA 3.48Å; D335-S337 WeakPolarHBondContact OD1-CB 3.36Å; D335-S337 PolarHBondContact OD1-N 3.22Å; D335-S337 PolarHBondContact OD1-OG 3.14Å; D335-S337 PolarHBondContact OD2-OG 2.91Å; D335-G338 PolarHBondContact N-O 2.91Å; D335-G338 PolarHBondContact O-N 3.41Å; D335-G338 VanDerWaalsContact O-N 3.07Å; D335-G338 PolarHBondContact OD1-N 2.89Å; D335-K340 VanDerWaalsContact OD1-CE 3.22Å; D335-K340 WeakPolarHBondContact OD1-CE 3.32Å; D335-K340 IonicContact OD1-NZ 3.71Å; D335-K340 WeakPolarHBondContact OD2-CE 3.36Å; D335-K340 IonicContact OD2-NZ 3.29Å; D335-K340 PolarHBondContact OD2-NZ 2.9Å
336	S	88	Confident	94.5	Very high	136 Å²	136	64.1 Å²	64.1	95%	0.951	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-17.6	178.5	53.5	0	0	0	0	114.4
337	S	88.6	Confident	94.6	Very high	86 Å²	86	62.4 Å²	62.4	60%	0.601	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-6.4	176.8	70.7	0	0	0	0	113.6	D335 K340	D335-S337 VanDerWaalsContact CG-OG 3.31Å; D335-S337 PolarHBondContact O-N 2.92Å; D335-S337 VanDerWaalsContact O-N 3.16Å; D335-S337 WeakPolarHBondContact OD1-CA 3.48Å; D335-S337 WeakPolarHBondContact OD1-CB 3.36Å; D335-S337 PolarHBondContact OD1-N 3.22Å; D335-S337 PolarHBondContact OD1-OG 3.14Å; D335-S337 PolarHBondContact OD2-OG 2.91Å; S337-K340 WeakPolarHBondContact OG-CE 3.48Å; S337-K340 PolarHBondContact OG-NZ 3.47Å
338	G	92	Very high	94.6	Very high	19 Å²	19	64.8 Å²	64.8	20%	0.196	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	120.9	-165.3	176.8	0	0	0	0	0	113.9	D335	D335-G338 PolarHBondContact N-O 2.91Å; D335-G338 PolarHBondContact O-N 3.41Å; D335-G338 VanDerWaalsContact O-N 3.07Å; D335-G338 PolarHBondContact OD1-N 2.89Å
339	P	94.1	Very high	94.7	Very high	68 Å²	68	63.3 Å²	63.3	44%	0.442	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	140.7	-178.9	27.1	-33.4	0	0	0	111.7	Y331	Y331-P339 HydrophobicContact CD1-CB 3.63Å; Y331-P339 HydrophobicContact CD1-CG 4.14Å; Y331-P339 HydrophobicContact CE1-CB 4.1Å; Y331-P339 HydrophobicContact CE1-CG 4.09Å
340	K	94.4	Very high	94.7	Very high	46 Å²	46	66.8 Å²	66.8	20%	0.2	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	144.7	175	-60.8	-61.9	-179.8	-177.4	0	110.7	F290 Y331 L332 T333 D335 S337	F290-K340 HydrophobicContact CZ-CB 3.9Å; Y331-K340 CarbonylContact C-O 3.54Å; L332-K340 PolarHBondContact N-O 3.23Å; T333-K340 HydrophobicContact CG2-CB 4.08Å; T333-K340 PolarHBondContact O-N 3.12Å; D335-K340 VanDerWaalsContact OD1-CE 3.22Å; D335-K340 WeakPolarHBondContact OD1-CE 3.32Å; D335-K340 IonicContact OD1-NZ 3.71Å; D335-K340 WeakPolarHBondContact OD2-CE 3.36Å; D335-K340 IonicContact OD2-NZ 3.29Å; D335-K340 PolarHBondContact OD2-NZ 2.9Å; S337-K340 WeakPolarHBondContact OG-CE 3.48Å; S337-K340 PolarHBondContact OG-NZ 3.47Å
341	H	95.5	Very high	94.8	Very high	89 Å²	89	64.1 Å²	64.1	41%	0.412	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	145.3	179.5	-50	-92.4	0	0	0	108.5	L329 P330 Y331	L329-H341 WeakPolarHBondContact O-CA 3.47Å; P330-H341 VanDerWaalsContact CA-ND1 3.29Å; P330-H341 WeakPolarHBondContact CA-ND1 3.48Å; Y331-H341 AromaticContact CD1-CE1 3.88Å; Y331-H341 AromaticContact CE1-CE1 3.88Å; Y331-H341 PolarHBondContact N-ND1 3.02Å
342	L	96.8	Very high	95	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.01	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	123.6	166.2	173.1	71	0	0	0	108.1	I286 F290 I327 N328 L329 L332 M344	I286-L342 HydrophobicContact CG2-CD1 4.02Å; I286-L342 HydrophobicContact CG2-CD2 3.51Å; I286-L342 HydrophobicContact CG2-CG 4.43Å; F290-L342 HydrophobicContact CB-CD1 4.36Å; F290-L342 HydrophobicContact CD2-CB 4.14Å; F290-L342 HydrophobicContact CD2-CD1 3.82Å; F290-L342 HydrophobicContact CE2-CB 4.25Å; I327-L342 HydrophobicContact CG2-CD2 3.68Å; I327-L342 HydrophobicContact CG2-CG 4.43Å; N328-L342 CarbonylContact C-O 3.56Å; N328-L342 WeakPolarHBondContact CA-O 3.43Å; L329-L342 HydrophobicContact CB-CB 4.17Å; L329-L342 HydrophobicContact CD1-CD2 4.03Å; L329-L342 HydrophobicContact CG-CD2 4.41Å; L329-L342 PolarHBondContact N-O 3.49Å; L329-L342 PolarHBondContact O-N 3.29Å; L332-L342 HydrophobicContact CD2-CB 3.7Å; L332-L342 HydrophobicContact CD2-CD2 4.37Å; L342-M344 HydrophobicContact CD1-CB 4.21Å; L342-M344 HydrophobicContact CD1-CE 4.37Å
343	N	96	Very high	95.2	Very high	106 Å²	106	60.6 Å²	60.6	57%	0.567	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.3	103.5	169.9	-173	-14.7	0	0	0	108.2	I327	I327-N343 WeakPolarHBondContact O-CA 3.31Å
344	M	97.3	Very high	95.4	Very high	19 Å²	19	61.8 Å²	61.8	9%	0.094	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	123.2	-174.7	176	-176.8	-70.5	0	0	110.5	I286 E289 I327 L342	I286-M344 HydrophobicContact CG1-SD 3.97Å; I286-M344 HydrophobicContact CG2-CE 4.41Å; E289-M344 HydrophobicContact CB-CE 3.43Å; E289-M344 VanDerWaalsContact CB-CE 3.43Å; E289-M344 HydrophobicContact CG-CE 3.93Å; I327-M344 HydrophobicContact CB-CB 4.35Å; I327-M344 PolarHBondContact N-O 3.26Å; I327-M344 PolarHBondContact O-N 2.93Å; L342-M344 HydrophobicContact CD1-CB 4.21Å; L342-M344 HydrophobicContact CD1-CE 4.37Å
345	K	97.8	Very high	95.8	Very high	126 Å²	126	54.9 Å²	54.9	55%	0.548	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	125.3	166.2	-80.9	175.8	-176.3	-57.9	0	109.4	D326	D326-K345 WeakPolarHBondContact OD1-CE 3.26Å; D326-K345 WeakPolarHBondContact OD1-CG 3.46Å; D326-K345 IonicContact OD1-NZ 2.73Å; D326-K345 PolarHBondContact OD1-NZ 2.95Å; D326-K345 IonicContact OD2-NZ 3.28Å; D326-K345 PolarHBondContact OD2-NZ 3.47Å
346	L	98.2	Very high	96.3	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.3	178	-175.3	70.4	0	0	0	110	L282 L319 Q324 T325 I327 Q350 F351 I354	L282-L346 HydrophobicContact CD1-CD1 4.44Å; L282-L346 HydrophobicContact CD1-CD2 3.55Å; L282-L346 HydrophobicContact CD2-CD2 3.95Å; L282-L346 HydrophobicContact CG-CD2 4.4Å; L319-L346 HydrophobicContact CD1-CD2 3.7Å; L319-L346 HydrophobicContact CD1-CG 3.99Å; Q324-L346 CarbonylContact C-O 3.59Å; Q324-L346 WeakPolarHBondContact CA-O 3.48Å; Q324-L346 WeakPolarHBondContact CG-O 3.31Å; T325-L346 HydrophobicContact CG2-CB 4.29Å; T325-L346 PolarHBondContact N-O 3.16Å; T325-L346 PolarHBondContact O-N 3.39Å; I327-L346 HydrophobicContact CD1-CD2 4.21Å; L346-Q350 HydrophobicContact CD1-CB 3.92Å; L346-F351 HydrophobicContact CD2-CB 4.45Å; L346-I354 HydrophobicContact CD1-CD1 4.41Å
347	T	98.6	Very high	96.8	Very high	44 Å²	44	53.3 Å²	53.3	27%	0.27	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	155.9	174.1	65	0	0	0	0	111.4	V323 Q324 A349 Q350 F351	V323-T347 WeakPolarHBondContact O-CA 3Å; Q324-T347 HydrophobicContact CB-CG2 4.47Å; Q324-T347 HydrophobicContact CG-CG2 4.31Å; T347-A349 VanDerWaalsContact C-N 3.26Å; T347-A349 PolarHBondContact O-N 2.89Å; T347-Q350 PolarHBondContact O-N 2.98Å; T347-Q350 VanDerWaalsContact OG1-CG 3.26Å; T347-Q350 WeakPolarHBondContact OG1-CG 3.37Å; T347-Q350 PolarHBondContact OG1-N 2.94Å; T347-Q350 PolarHBondContact OG1-OE1 3.42Å; T347-F351 PolarHBondContact O-N 2.87Å
348	R	98.5	Very high	97.2	Very high	55 Å²	55	50.4 Å²	50.4	21%	0.208	28%	0.282	C	S	.	.	H	α-helix	trans	-56.3	-42.6	173.9	-175	-173.5	-63.8	163	0.3	111.2	L319 S321 S322 V323 Q350 F351 E352	L319-R348 HydrophobicContact CD2-CB 4.2Å; L319-R348 PolarHBondContact O-NE 3.48Å; L319-R348 PolarHBondContact O-NH2 3.33Å; S321-R348 VanDerWaalsContact C-NH2 3.32Å; S321-R348 PolarHBondContact O-NH2 3.41Å; S322-R348 PolarHBondContact O-NE 2.9Å; S322-R348 PolarHBondContact O-NH2 3.39Å; V323-R348 PolarHBondContact O-N 3.36Å; R348-Q350 VanDerWaalsContact C-N 3.35Å; R348-Q350 PolarHBondContact O-N 3.13Å; R348-F351 PolarHBondContact O-N 3.47Å; R348-E352 WeakPolarHBondContact CD-OE1 3.39Å; R348-E352 HydrophobicContact CG-CG 4.32Å; R348-E352 WeakPolarHBondContact CG-OE1 3.37Å; R348-E352 WeakPolarHBondContact O-CB 3.35Å; R348-E352 WeakPolarHBondContact O-CG 3.37Å; R348-E352 PolarHBondContact O-N 2.91Å
349	A	98.3	Very high	97.5	Very high	69 Å²	69	49.8 Å²	49.8	57%	0.57	27%	0.274	S	S	*	.	H	α-helix	trans	-61.7	-40.2	179.3	0	0	0	0	0	112.6	T347 G353	T347-A349 VanDerWaalsContact C-N 3.26Å; T347-A349 PolarHBondContact O-N 2.89Å; A349-G353 PolarHBondContact O-N 3.28Å
350	Q	98.3	Very high	97.7	Very high	96 Å²	96	53.9 Å²	53.9	45%	0.449	28%	0.281	S	S	.	.	H	α-helix	trans	-64.6	-45.7	174.1	-74.3	164.8	-51.5	0	0	111.3	L346 T347 R348 E352 G353 I354	L346-Q350 HydrophobicContact CD1-CB 3.92Å; T347-Q350 PolarHBondContact O-N 2.98Å; T347-Q350 VanDerWaalsContact OG1-CG 3.26Å; T347-Q350 WeakPolarHBondContact OG1-CG 3.37Å; T347-Q350 PolarHBondContact OG1-N 2.94Å; T347-Q350 PolarHBondContact OG1-OE1 3.42Å; R348-Q350 VanDerWaalsContact C-N 3.35Å; R348-Q350 PolarHBondContact O-N 3.13Å; Q350-E352 PolarHBondContact O-N 2.87Å; Q350-G353 PolarHBondContact O-N 2.82Å; Q350-I354 WeakPolarHBondContact O-CG1 3.36Å; Q350-I354 PolarHBondContact O-N 2.92Å
351	F	98.5	Very high	97.8	Very high	3 Å²	3	56.1 Å²	56.1	1%	0.013	29%	0.288	C	S	.	.	H	α-helix	trans	-60.4	-46	177	177.1	-119.8	0	0	0	112.1	F278 L282 K316 L319 L346 T347 R348 G353 I354 V355 M392	F278-F351 HydrophobicContact CB-CZ 4.34Å; F278-F351 HydrophobicContact CD1-CZ 4.08Å; L282-F351 HydrophobicContact CB-CD2 4.4Å; L282-F351 HydrophobicContact CB-CE2 4.16Å; L282-F351 HydrophobicContact CD1-CD2 4.4Å; L282-F351 HydrophobicContact CD2-CD2 4.1Å; L282-F351 HydrophobicContact CD2-CE2 4.16Å; K316-F351 HydrophobicContact CB-CE1 4.48Å; K316-F351 HydrophobicContact CB-CZ 4.09Å; K316-F351 HydrophobicContact CD-CZ 4.28Å; K316-F351 HydrophobicContact CG-CE1 3.96Å; K316-F351 HydrophobicContact CG-CE2 4.49Å; K316-F351 HydrophobicContact CG-CZ 3.64Å; L319-F351 HydrophobicContact CD1-CB 3.66Å; L319-F351 HydrophobicContact CD1-CD1 4.32Å; L319-F351 HydrophobicContact CD1-CG 4.09Å; L346-F351 HydrophobicContact CD2-CB 4.45Å; T347-F351 PolarHBondContact O-N 2.87Å; R348-F351 PolarHBondContact O-N 3.47Å; F351-G353 VanDerWaalsContact C-N 3.26Å; F351-G353 PolarHBondContact O-N 2.94Å; F351-I354 WeakPolarHBondContact O-CB 3.42Å; F351-I354 PolarHBondContact O-N 3.49Å; F351-V355 HydrophobicContact CD2-CG1 4.09Å; F351-V355 HydrophobicContact CE1-CG2 4.35Å; F351-V355 HydrophobicContact CE2-CG1 3.45Å; F351-V355 VanDerWaalsContact CE2-CG1 3.45Å; F351-V355 HydrophobicContact CE2-CG2 4.42Å; F351-V355 HydrophobicContact CZ-CG1 3.82Å; F351-V355 HydrophobicContact CZ-CG2 4.18Å; F351-V355 WeakPolarHBondContact O-CG2 3.28Å; F351-V355 PolarHBondContact O-N 3.42Å; F351-V355 VanDerWaalsContact O-N 3.11Å; F351-M392 HydrophobicContact CD1-CE 3.77Å; F351-M392 HydrophobicContact CE1-CE 3.6Å; F351-M392 HydrophobicContact CE1-SD 3.85Å
352	E	98.4	Very high	97.9	Very high	43 Å²	43	51.9 Å²	51.9	20%	0.201	27%	0.268	C	S	.	.	H	α-helix	trans	-55.7	-41.8	174	-73.5	176.1	-173.7	0	0	111.8	R348 Q350 I354 V355 T356 M392 K394	R348-E352 WeakPolarHBondContact CD-OE1 3.39Å; R348-E352 HydrophobicContact CG-CG 4.32Å; R348-E352 WeakPolarHBondContact CG-OE1 3.37Å; R348-E352 WeakPolarHBondContact O-CB 3.35Å; R348-E352 WeakPolarHBondContact O-CG 3.37Å; R348-E352 PolarHBondContact O-N 2.91Å; Q350-E352 PolarHBondContact O-N 2.87Å; E352-I354 PolarHBondContact O-N 2.87Å; E352-V355 PolarHBondContact O-N 3.47Å; E352-T356 PolarHBondContact O-N 3.2Å; E352-T356 PolarHBondContact O-OG1 3.16Å; E352-M392 HydrophobicContact CB-CE 4.46Å; E352-M392 HydrophobicContact CG-CE 3.66Å; E352-K394 HydrophobicContact CG-CB 3.83Å; E352-K394 HydrophobicContact CG-CG 4.1Å
353	G	98.3	Very high	98	Very high	52 Å²	52	54.2 Å²	54.2	54%	0.536	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-39.9	173.6	0	0	0	0	0	113.5	A349 Q350 F351 V355	A349-G353 PolarHBondContact O-N 3.28Å; Q350-G353 PolarHBondContact O-N 2.82Å; F351-G353 VanDerWaalsContact C-N 3.26Å; F351-G353 PolarHBondContact O-N 2.94Å; G353-V355 VanDerWaalsContact C-N 3.35Å; G353-V355 PolarHBondContact O-N 2.97Å
354	I	98.4	Very high	98	Very high	47 Å²	47	51.3 Å²	51.3	24%	0.241	27%	0.271	C	S	.	.	H	α-helix	trans	-65.6	-36.6	178.9	-67.4	161.9	0	0	0	111.8	A281 L282 H285 L346 Q350 F351 E352	A281-I354 HydrophobicContact CB-CG2 3.94Å; L282-I354 HydrophobicContact CD1-CD1 4.1Å; H285-I354 HydrophobicContact CB-CD1 3.88Å; H285-I354 HydrophobicContact CB-CG1 4.41Å; H285-I354 HydrophobicContact CB-CG2 4.48Å; H285-I354 VanDerWaalsContact CG-CD1 3.47Å; L346-I354 HydrophobicContact CD1-CD1 4.41Å; Q350-I354 WeakPolarHBondContact O-CG1 3.36Å; Q350-I354 PolarHBondContact O-N 2.92Å; F351-I354 WeakPolarHBondContact O-CB 3.42Å; F351-I354 PolarHBondContact O-N 3.49Å; E352-I354 PolarHBondContact O-N 2.87Å
355	V	98.4	Very high	97.9	Very high	1 Å²	1	51 Å²	51	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-107.4	7.2	-172.6	-54.9	0	0	0	0	114.4	F278 A281 F351 E352 G353 D357 L358 I359 M392	F278-V355 HydrophobicContact CB-CG1 4.31Å; F278-V355 HydrophobicContact CD1-CB 3.73Å; F278-V355 HydrophobicContact CD1-CG1 3.83Å; F278-V355 HydrophobicContact CD1-CG2 3.75Å; F278-V355 HydrophobicContact CE1-CB 3.93Å; F278-V355 HydrophobicContact CE1-CG2 3.75Å; F278-V355 HydrophobicContact CG-CB 4.44Å; F278-V355 HydrophobicContact CG-CG1 4.26Å; A281-V355 HydrophobicContact CB-CG1 4.14Å; F351-V355 HydrophobicContact CD2-CG1 4.09Å; F351-V355 HydrophobicContact CE1-CG2 4.35Å; F351-V355 HydrophobicContact CE2-CG1 3.45Å; F351-V355 VanDerWaalsContact CE2-CG1 3.45Å; F351-V355 HydrophobicContact CE2-CG2 4.42Å; F351-V355 HydrophobicContact CZ-CG1 3.82Å; F351-V355 HydrophobicContact CZ-CG2 4.18Å; F351-V355 WeakPolarHBondContact O-CG2 3.28Å; F351-V355 PolarHBondContact O-N 3.42Å; F351-V355 VanDerWaalsContact O-N 3.11Å; E352-V355 PolarHBondContact O-N 3.47Å; G353-V355 VanDerWaalsContact C-N 3.35Å; G353-V355 PolarHBondContact O-N 2.97Å; V355-D357 VanDerWaalsContact C-N 3.26Å; V355-D357 PolarHBondContact O-N 3.23Å; V355-D357 VanDerWaalsContact O-N 3.15Å; V355-L358 HydrophobicContact CB-CD1 4.33Å; V355-L358 HydrophobicContact CG1-CD1 4.43Å; V355-L358 WeakPolarHBondContact O-CB 3.42Å; V355-L358 PolarHBondContact O-N 3.18Å; V355-I359 HydrophobicContact CG2-CD1 4.05Å; V355-I359 HydrophobicContact CG2-CG1 4.45Å; V355-I359 PolarHBondContact O-N 3.01Å; V355-M392 HydrophobicContact CG2-CE 3.66Å; V355-M392 HydrophobicContact CG2-SD 4.29Å
356	T	97.9	Very high	97.9	Very high	41 Å²	41	45 Å²	45	25%	0.252	24%	0.244	S	C	.	.	H	α-helix	trans	-52.2	-42.5	-174.8	-72.8	0	0	0	0	112.7	E352 L358 I359 R360	E352-T356 PolarHBondContact O-N 3.2Å; E352-T356 PolarHBondContact O-OG1 3.16Å; T356-L358 VanDerWaalsContact C-N 3.33Å; T356-L358 PolarHBondContact O-N 2.96Å; T356-I359 PolarHBondContact O-N 2.77Å; T356-R360 HydrophobicContact CG2-CG 4.49Å; T356-R360 WeakPolarHBondContact O-CG 3.49Å; T356-R360 PolarHBondContact O-N 3.47Å
357	D	97.6	Very high	97.9	Very high	107 Å²	107	50 Å²	50	57%	0.572	27%	0.268	S	S	*	.	H	α-helix	trans	-71.1	-28.1	-178.3	-65.4	-31	0	0	0	113.1	V355 R360 R361	V355-D357 VanDerWaalsContact C-N 3.26Å; V355-D357 PolarHBondContact O-N 3.23Å; V355-D357 VanDerWaalsContact O-N 3.15Å; D357-R360 PolarHBondContact O-N 2.91Å; D357-R360 IonicContact OD1-CZ 2.84Å; D357-R360 IonicContact OD1-NH1 2.68Å; D357-R360 PolarHBondContact OD1-NH1 3.19Å; D357-R361 WeakPolarHBondContact O-CG 3.09Å; D357-R361 PolarHBondContact O-N 3.25Å
358	L	98.1	Very high	97.7	Very high	24 Å²	24	53 Å²	53	13%	0.126	28%	0.277	C	S	.	.	H	α-helix	trans	-68.6	-40.8	173.7	-60.1	179.2	0	0	0	111	L273 D277 F278 A281 V355 T356 R361	L273-L358 HydrophobicContact CD1-CB 4.16Å; L273-L358 HydrophobicContact CD1-CD2 4.1Å; D277-L358 HydrophobicContact CB-CD1 3.96Å; D277-L358 HydrophobicContact CB-CD2 4.25Å; D277-L358 WeakPolarHBondContact O-CD1 3.33Å; F278-L358 HydrophobicContact CD2-CB 4.33Å; F278-L358 HydrophobicContact CD2-CD1 3.76Å; F278-L358 HydrophobicContact CE2-CB 3.78Å; F278-L358 HydrophobicContact CE2-CD1 4.08Å; F278-L358 HydrophobicContact CG-CD1 4.08Å; F278-L358 HydrophobicContact CZ-CB 3.91Å; A281-L358 HydrophobicContact CB-CD1 4.29Å; V355-L358 HydrophobicContact CB-CD1 4.33Å; V355-L358 HydrophobicContact CG1-CD1 4.43Å; V355-L358 WeakPolarHBondContact O-CB 3.42Å; V355-L358 PolarHBondContact O-N 3.18Å; T356-L358 VanDerWaalsContact C-N 3.33Å; T356-L358 PolarHBondContact O-N 2.96Å; L358-R361 WeakPolarHBondContact O-CB 3.3Å; L358-R361 PolarHBondContact O-N 3.18Å
359	I	98.2	Very high	97.6	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.036	27%	0.267	C	S	.	.	H	α-helix	trans	-66.6	-42	175.5	-59.6	174.7	0	0	0	110.2	F278 V355 T356 R361 T362 M392 K394 V395 T398	F278-I359 HydrophobicContact CE1-CD1 4.36Å; F278-I359 HydrophobicContact CE1-CG1 3.85Å; F278-I359 HydrophobicContact CZ-CG1 3.9Å; V355-I359 HydrophobicContact CG2-CD1 4.05Å; V355-I359 HydrophobicContact CG2-CG1 4.45Å; V355-I359 PolarHBondContact O-N 3.01Å; T356-I359 PolarHBondContact O-N 2.77Å; I359-R361 PolarHBondContact O-N 2.62Å; I359-T362 PolarHBondContact O-N 2.8Å; I359-T362 VanDerWaalsContact O-N 3.1Å; I359-T362 PolarHBondContact O-OG1 2.81Å; I359-M392 HydrophobicContact CD1-CE 3.9Å; I359-M392 HydrophobicContact CD1-SD 4.05Å; I359-K394 HydrophobicContact CD1-CB 4Å; I359-K394 HydrophobicContact CD1-CG 3.64Å; I359-V395 HydrophobicContact CD1-CG2 4.28Å; I359-V395 HydrophobicContact CG1-CG2 4.23Å; I359-T398 HydrophobicContact CG2-CG2 3.98Å; I359-T398 WeakPolarHBondContact CG2-OG1 3.47Å
360	R	97.5	Very high	97.5	Very high	153 Å²	153	48 Å²	48	58%	0.577	24%	0.244	S	C	*	.	H	α-helix	trans	-60	-33	177.4	-74.7	174.5	-179.2	154.5	-4.2	113.3	T356 D357 T362 I363	T356-R360 HydrophobicContact CG2-CG 4.49Å; T356-R360 WeakPolarHBondContact O-CG 3.49Å; T356-R360 PolarHBondContact O-N 3.47Å; D357-R360 PolarHBondContact O-N 2.91Å; D357-R360 IonicContact OD1-CZ 2.84Å; D357-R360 IonicContact OD1-NH1 2.68Å; D357-R360 PolarHBondContact OD1-NH1 3.19Å; R360-T362 PolarHBondContact O-N 2.93Å; R360-I363 WeakPolarHBondContact O-CB 3.22Å; R360-I363 PolarHBondContact O-N 2.86Å
361	R	97.6	Very high	97.4	Very high	93 Å²	93	50.4 Å²	50.4	35%	0.351	26%	0.256	S	S	.	.	H	α-helix	trans	-61.4	-21.9	177.6	-77.1	168.6	62	-163.5	0.3	113.2	D270 F272 L273 D357 L358 I359 P365	D270-R361 IonicContact OD1-NH2 2.88Å; D270-R361 IonicContact OD2-CZ 2.77Å; D270-R361 IonicContact OD2-NE 2.88Å; D270-R361 IonicContact OD2-NH2 2.73Å; D270-R361 PolarHBondContact OD2-NH2 3.1Å; F272-R361 PolarHBondContact O-NH2 2.88Å; L273-R361 HydrophobicContact CD2-CB 3.78Å; D357-R361 WeakPolarHBondContact O-CG 3.09Å; D357-R361 PolarHBondContact O-N 3.25Å; L358-R361 WeakPolarHBondContact O-CB 3.3Å; L358-R361 PolarHBondContact O-N 3.18Å; I359-R361 PolarHBondContact O-N 2.62Å; R361-P365 WeakPolarHBondContact O-CD 3.44Å
362	T	98	Very high	97.1	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-81	-18.5	179.4	72.7	0	0	0	0	113.4	Y243 L245 F250 L273 I359 R360 P365 C366	Y243-T362 WeakPolarHBondContact OH-CB 3.35Å; Y243-T362 VanDerWaalsContact OH-CG2 3.32Å; Y243-T362 WeakPolarHBondContact OH-CG2 3.09Å; Y243-T362 PolarHBondContact OH-OG1 2.97Å; L245-T362 HydrophobicContact CD1-CG2 4.32Å; F250-T362 HydrophobicContact CD1-CG2 3.97Å; F250-T362 HydrophobicContact CD2-CG2 4.12Å; F250-T362 VanDerWaalsContact CE1-CA 3.44Å; F250-T362 HydrophobicContact CE1-CG2 4.06Å; F250-T362 WeakPolarHBondContact CE1-O 3.08Å; F250-T362 HydrophobicContact CE2-CG2 4.27Å; F250-T362 HydrophobicContact CG-CG2 4Å; F250-T362 HydrophobicContact CZ-CG2 4.24Å; L273-T362 HydrophobicContact CD2-CG2 3.77Å; I359-T362 PolarHBondContact O-N 2.8Å; I359-T362 VanDerWaalsContact O-N 3.1Å; I359-T362 PolarHBondContact O-OG1 2.81Å; R360-T362 PolarHBondContact O-N 2.93Å; T362-P365 WeakPolarHBondContact O-CD 3.16Å; T362-C366 PolarHBondContact O-SG 2.76Å
363	I	97.9	Very high	97	Very high	50 Å²	50	51 Å²	51	26%	0.256	26%	0.262	S	S	.	.	H	α-helix	trans	-69.4	-47.6	-174.7	-62.7	173.3	0	0	0	111.8	R360 C366 Q367 T398 L402	R360-I363 WeakPolarHBondContact O-CB 3.22Å; R360-I363 PolarHBondContact O-N 2.86Å; I363-C366 WeakPolarHBondContact O-CB 3.21Å; I363-C366 PolarHBondContact O-N 3.36Å; I363-Q367 HydrophobicContact CG2-CG 4.38Å; I363-Q367 WeakPolarHBondContact O-CG 3.38Å; I363-Q367 PolarHBondContact O-N 2.92Å; I363-T398 HydrophobicContact CD1-CG2 3.99Å; I363-T398 HydrophobicContact CG1-CG2 3.92Å; I363-L402 HydrophobicContact CG2-CD1 4.12Å
364	A	96.5	Very high	96.9	Very high	45 Å²	45	57.3 Å²	57.3	37%	0.372	28%	0.278	S	S	.	.	H	α-helix	trans	-64.4	-42.3	-174.5	0	0	0	0	0	113.2	C366 Q367 K368	A364-C366 VanDerWaalsContact C-N 3.31Å; A364-C366 PolarHBondContact O-N 2.83Å; A364-Q367 PolarHBondContact O-N 3.41Å; A364-K368 WeakPolarHBondContact O-CG 3.48Å; A364-K368 PolarHBondContact O-N 3.46Å
365	P	95.8	Very high	96.8	Very high	13 Å²	13	56.5 Å²	56.5	8%	0.084	28%	0.275	C	S	.	.	H	α-helix	trans	-58.1	-39.8	171.3	-25.6	34	0	0	0	113.2	F250 I252 N268 R361 T362 K368 A369	F250-P365 HydrophobicContact CD1-CG 4.36Å; F250-P365 HydrophobicContact CE1-CB 3.85Å; F250-P365 HydrophobicContact CE1-CG 3.95Å; I252-P365 HydrophobicContact CG2-CB 3.91Å; N268-P365 HydrophobicContact CB-CB 4.1Å; R361-P365 WeakPolarHBondContact O-CD 3.44Å; T362-P365 WeakPolarHBondContact O-CD 3.16Å; P365-K368 PolarHBondContact O-N 3.35Å; P365-A369 WeakPolarHBondContact O-CB 3.31Å; P365-A369 PolarHBondContact O-N 3.42Å
366	C	97.6	Very high	96.6	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65	-42.2	177.7	-63.5	0	0	0	0	112.8	I252 T362 I363 A364 K368 A369 M370 L402 F403	I252-C366 HydrophobicContact CG1-CB 4.27Å; T362-C366 PolarHBondContact O-SG 2.76Å; I363-C366 WeakPolarHBondContact O-CB 3.21Å; I363-C366 PolarHBondContact O-N 3.36Å; A364-C366 VanDerWaalsContact C-N 3.31Å; A364-C366 PolarHBondContact O-N 2.83Å; C366-K368 VanDerWaalsContact C-N 3.34Å; C366-A369 PolarHBondContact O-N 2.54Å; C366-M370 PolarHBondContact O-N 3.11Å; C366-L402 HydrophobicContact CB-CD2 3.31Å; C366-L402 HydrophobicContact CB-CG 4.35Å; C366-F403 HydrophobicContact CB-CZ 4.09Å
367	Q	97.3	Very high	96.5	Very high	107 Å²	107	63.1 Å²	63.1	50%	0.5	31%	0.306	S	S	.	.	H	α-helix	trans	-62.5	-43.2	176.1	-69.8	175.2	-23.5	0	0	111.3	I363 A364 M370 Q371 L402	I363-Q367 HydrophobicContact CG2-CG 4.38Å; I363-Q367 WeakPolarHBondContact O-CG 3.38Å; I363-Q367 PolarHBondContact O-N 2.92Å; A364-Q367 PolarHBondContact O-N 3.41Å; Q367-M370 PolarHBondContact O-N 2.8Å; Q367-Q371 WeakPolarHBondContact O-CB 3.15Å; Q367-Q371 PolarHBondContact O-N 2.98Å; Q367-L402 HydrophobicContact CG-CD1 4.09Å
368	K	94.8	Very high	96.3	Very high	106 Å²	106	62.8 Å²	62.8	46%	0.461	31%	0.312	S	S	.	.	H	α-helix	trans	-63.7	-42.5	175.5	-72.5	177.3	-179.6	-178.9	0	112.1	A364 P365 C366 Q371 D372	A364-K368 WeakPolarHBondContact O-CG 3.48Å; A364-K368 PolarHBondContact O-N 3.46Å; P365-K368 PolarHBondContact O-N 3.35Å; C366-K368 VanDerWaalsContact C-N 3.34Å; K368-Q371 PolarHBondContact O-N 2.93Å; K368-D372 WeakPolarHBondContact O-CB 3.46Å; K368-D372 PolarHBondContact O-N 3.15Å
369	A	95.4	Very high	96.2	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61.7	-45	177.6	0	0	0	0	0	111.5	I252 I254 S266 N268 P365 C366 Q371 D372 A373	I252-A369 HydrophobicContact CG1-CB 4.1Å; I252-A369 HydrophobicContact CG2-CB 4.04Å; I254-A369 HydrophobicContact CG1-CB 4.1Å; S266-A369 WeakPolarHBondContact CB-O 3.43Å; S266-A369 VanDerWaalsContact OG-C 3.32Å; S266-A369 PolarHBondContact OG-O 3.03Å; N268-A369 HydrophobicContact CB-CB 4.18Å; P365-A369 WeakPolarHBondContact O-CB 3.31Å; P365-A369 PolarHBondContact O-N 3.42Å; C366-A369 PolarHBondContact O-N 2.54Å; A369-Q371 PolarHBondContact O-N 3.08Å; A369-D372 PolarHBondContact O-N 2.77Å; A369-A373 WeakPolarHBondContact O-CB 3.27Å; A369-A373 PolarHBondContact O-N 3.36Å
370	M	96.9	Very high	96.2	Very high	19 Å²	19	65.5 Å²	65.5	9%	0.094	33%	0.327	C	S	.	.	H	α-helix	trans	-61.5	-42.9	174	-72.8	-173.2	-69	0	0	112.2	I254 C366 Q367 A373 E374 V375 I380 L402 F403	I254-M370 HydrophobicContact CD1-CG 4.14Å; C366-M370 PolarHBondContact O-N 3.11Å; Q367-M370 PolarHBondContact O-N 2.8Å; M370-A373 PolarHBondContact O-N 3.25Å; M370-E374 PolarHBondContact O-N 2.85Å; M370-E374 VanDerWaalsContact O-N 3.17Å; M370-V375 HydrophobicContact CB-CG2 4.27Å; M370-V375 HydrophobicContact CG-CG2 4.36Å; M370-V375 PolarHBondContact O-N 3.35Å; M370-I380 HydrophobicContact SD-CG1 4.47Å; M370-L402 HydrophobicContact CE-CD1 4.44Å; M370-F403 HydrophobicContact CE-CD1 4.48Å; M370-F403 HydrophobicContact CE-CE1 4.19Å; M370-F403 HydrophobicContact CG-CE1 4.25Å; M370-F403 HydrophobicContact SD-CD1 3.87Å; M370-F403 HydrophobicContact SD-CE1 3.73Å
371	Q	96.3	Very high	96	Very high	146 Å²	146	59.2 Å²	59.2	68%	0.682	31%	0.309	S	S	*	.	H	α-helix	trans	-61.9	-46.9	176.7	-177	-180	14.6	0	0	112.2	Q367 K368 A369 A373 E374	Q367-Q371 WeakPolarHBondContact O-CB 3.15Å; Q367-Q371 PolarHBondContact O-N 2.98Å; K368-Q371 PolarHBondContact O-N 2.93Å; A369-Q371 PolarHBondContact O-N 3.08Å; Q371-A373 VanDerWaalsContact C-N 3.28Å; Q371-A373 PolarHBondContact O-N 2.98Å; Q371-E374 PolarHBondContact O-N 3.21Å
372	D	92.6	Very high	95.9	Very high	47 Å²	47	56 Å²	56	25%	0.251	30%	0.298	S	S	.	.	H	α-helix	trans	-67.2	-29.5	-179.6	-71.6	-30.2	0	0	0	112.2	K368 A369 E374 R460 N461	K368-D372 WeakPolarHBondContact O-CB 3.46Å; K368-D372 PolarHBondContact O-N 3.15Å; A369-D372 PolarHBondContact O-N 2.77Å; D372-E374 VanDerWaalsContact C-N 3.26Å; D372-R460 IonicContact OD1-CZ 3.35Å; D372-R460 IonicContact OD1-NE 3.93Å; D372-R460 IonicContact OD1-NH2 3.86Å; D372-R460 PolarHBondContact OD1-NH2 3.34Å; D372-R460 IonicContact OD2-CZ 3.58Å; D372-R460 IonicContact OD2-NE 3.99Å; D372-R460 IonicContact OD2-NH1 2.75Å; D372-R460 IonicContact OD2-NH2 3.71Å; D372-R460 PolarHBondContact OD2-NH2 2.83Å; D372-N461 WeakPolarHBondContact CB-ND2 3.41Å
373	A	95.2	Very high	95.9	Very high	12 Å²	12	56 Å²	56	10%	0.099	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-2.7	173.6	0	0	0	0	0	113.1	I254 K265 S266 A369 M370 Q371 V375	I254-A373 HydrophobicContact CB-CB 3.88Å; I254-A373 HydrophobicContact CG1-CB 4.21Å; I254-A373 HydrophobicContact CG2-CB 3.8Å; K265-A373 HydrophobicContact CB-CB 3.65Å; S266-A373 WeakPolarHBondContact OG-CB 3.47Å; A369-A373 WeakPolarHBondContact O-CB 3.27Å; A369-A373 PolarHBondContact O-N 3.36Å; M370-A373 PolarHBondContact O-N 3.25Å; Q371-A373 VanDerWaalsContact C-N 3.28Å; Q371-A373 PolarHBondContact O-N 2.98Å; A373-V375 HydrophobicContact CB-CG1 4.43Å; A373-V375 HydrophobicContact CB-CG2 3.95Å; A373-V375 PolarHBondContact O-N 3.01Å
374	E	96.3	Very high	95.9	Very high	185 Å²	185	53.6 Å²	53.6	86%	0.864	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	33.4	-176.2	-56	-176	172.5	0	0	113.5	M370 Q371 D372	M370-E374 PolarHBondContact O-N 2.85Å; M370-E374 VanDerWaalsContact O-N 3.17Å; Q371-E374 PolarHBondContact O-N 3.21Å; D372-E374 VanDerWaalsContact C-N 3.26Å
375	V	96	Very high	95.9	Very high	29 Å²	29	52.1 Å²	52.1	18%	0.176	27%	0.272	C	S	.	.			trans	-114.6	146.5	179.2	-61.7	0	0	0	0	111.8	V239 I254 M370 A373 D379 I380	V239-V375 HydrophobicContact CG1-CG1 4.45Å; I254-V375 HydrophobicContact CG2-CG2 3.97Å; M370-V375 HydrophobicContact CB-CG2 4.27Å; M370-V375 HydrophobicContact CG-CG2 4.36Å; M370-V375 PolarHBondContact O-N 3.35Å; A373-V375 HydrophobicContact CB-CG1 4.43Å; A373-V375 HydrophobicContact CB-CG2 3.95Å; A373-V375 PolarHBondContact O-N 3.01Å; V375-D379 HydrophobicContact CB-CB 4.15Å; V375-D379 HydrophobicContact CG1-CB 4.49Å; V375-I380 HydrophobicContact CG2-CD1 3.92Å
376	S	95.5	Very high	96	Very high	49 Å²	49	51.6 Å²	51.6	34%	0.343	27%	0.268	S	S	.	.			trans	-90.3	164.1	169.9	74.3	0	0	0	0	111.1	S378 D379	S376-S378 PolarHBondContact O-N 2.83Å; S376-S378 VanDerWaalsContact O-N 3.11Å; S376-S378 PolarHBondContact OG-N 3.42Å; S376-S378 PolarHBondContact OG-OG 2.85Å; S376-D379 WeakPolarHBondContact CA-OD2 3.48Å; S376-D379 VanDerWaalsContact CB-OD2 3.31Å; S376-D379 WeakPolarHBondContact CB-OD2 3.41Å; S376-D379 PolarHBondContact N-OD2 3.47Å; S376-D379 PolarHBondContact O-N 2.85Å; S376-D379 PolarHBondContact OG-OD2 2.84Å
377	K	94.7	Very high	95.9	Very high	132 Å²	132	52 Å²	52	57%	0.574	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-29.3	174.4	65.7	177.6	-177.2	176.9	0	113.5	D379	K377-D379 VanDerWaalsContact C-N 3.33Å
378	S	94.9	Very high	95.8	Very high	100 Å²	100	48.5 Å²	48.5	70%	0.699	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-21.7	179	32.1	0	0	0	0	113.6	S376 I380	S376-S378 PolarHBondContact O-N 2.83Å; S376-S378 VanDerWaalsContact O-N 3.11Å; S376-S378 PolarHBondContact OG-N 3.42Å; S376-S378 PolarHBondContact OG-OG 2.85Å; S378-I380 VanDerWaalsContact C-N 3.3Å
379	D	95.9	Very high	96	Very high	84 Å²	84	44 Å²	44	45%	0.449	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-19.4	178.4	-53.7	-44.4	0	0	0	111.2	V375 S376 K377 G381	V375-D379 HydrophobicContact CB-CB 4.15Å; V375-D379 HydrophobicContact CG1-CB 4.49Å; S376-D379 WeakPolarHBondContact CA-OD2 3.48Å; S376-D379 VanDerWaalsContact CB-OD2 3.31Å; S376-D379 WeakPolarHBondContact CB-OD2 3.41Å; S376-D379 PolarHBondContact N-OD2 3.47Å; S376-D379 PolarHBondContact O-N 2.85Å; S376-D379 PolarHBondContact OG-OD2 2.84Å; K377-D379 VanDerWaalsContact C-N 3.33Å; D379-G381 PolarHBondContact O-N 3.23Å
380	I	96.8	Very high	96.1	Very high	5 Å²	5	44 Å²	44	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	101.4	176.4	-54.3	-57.3	0	0	0	110.1	V239 A241 I254 M370 V375 S378 E382 V383 F403 R405	V239-I380 HydrophobicContact CG1-CD1 3.81Å; A241-I380 HydrophobicContact CB-CG2 3.91Å; I254-I380 HydrophobicContact CD1-CD1 4.09Å; I254-I380 HydrophobicContact CG2-CD1 4.19Å; M370-I380 HydrophobicContact SD-CG1 4.47Å; V375-I380 HydrophobicContact CG2-CD1 3.92Å; S378-I380 VanDerWaalsContact C-N 3.3Å; I380-E382 VanDerWaalsContact CG2-O 3.28Å; I380-E382 WeakPolarHBondContact CG2-O 3.13Å; I380-V383 HydrophobicContact CG2-CG2 3.87Å; I380-F403 HydrophobicContact CG1-CD1 4.29Å; I380-F403 HydrophobicContact CG2-CD1 4.49Å; I380-R405 PolarHBondContact O-NE 3.26Å
381	G	94.7	Very high	96.1	Very high	20 Å²	20	48.6 Å²	48.6	21%	0.206	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-21.4	179.7	0	0	0	0	0	114	V239 D379 R405	V239-G381 WeakPolarHBondContact O-CA 3.46Å; V239-G381 PolarHBondContact O-N 2.78Å; D379-G381 PolarHBondContact O-N 3.23Å; G381-R405 PolarHBondContact O-NH1 3.42Å; G381-R405 PolarHBondContact O-NH2 3.02Å
382	E	95.6	Very high	96.2	Very high	26 Å²	26	41.8 Å²	41.8	12%	0.121	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	148.5	172.2	-157	149.5	163.5	0	0	112.8	Y230 K238 V239 I240 A241 I380 S408	Y230-E382 VanDerWaalsContact CE2-CD 3.49Å; Y230-E382 HydrophobicContact CE2-CG 4.45Å; Y230-E382 VanDerWaalsContact CE2-OE1 3.22Å; Y230-E382 WeakPolarHBondContact CE2-OE1 3.34Å; Y230-E382 PolarHBondContact OH-OE2 2.98Å; K238-E382 HydrophobicContact CD-CB 4.11Å; K238-E382 IonicContact NZ-OE2 2.82Å; V239-E382 PolarHBondContact O-N 3.19Å; I240-E382 CarbonylContact C-O 3.51Å; I240-E382 VanDerWaalsContact CA-O 3.29Å; I240-E382 WeakPolarHBondContact CA-O 3.32Å; I240-E382 HydrophobicContact CG2-CB 3.92Å; A241-E382 PolarHBondContact N-O 2.85Å; I380-E382 VanDerWaalsContact CG2-O 3.28Å; I380-E382 WeakPolarHBondContact CG2-O 3.13Å; E382-S408 WeakPolarHBondContact OE1-CB 3.22Å; E382-S408 PolarHBondContact OE1-OG 3.02Å
383	V	97.3	Very high	96.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124	173.6	-178.1	0	0	0	0	107.9	A241 I380 V399 F403 R405 P407 S408	A241-V383 HydrophobicContact CB-CG2 4.39Å; A241-V383 CarbonylContact O-C 3.55Å; A241-V383 WeakPolarHBondContact O-CA 3.44Å; I380-V383 HydrophobicContact CG2-CG2 3.87Å; V383-V399 HydrophobicContact CG1-CG1 3.54Å; V383-F403 HydrophobicContact CG1-CD2 4.04Å; V383-F403 HydrophobicContact CG1-CE2 4.29Å; V383-F403 HydrophobicContact CG2-CB 3.67Å; V383-F403 HydrophobicContact CG2-CD1 4.28Å; V383-F403 HydrophobicContact CG2-CD2 3.94Å; V383-F403 HydrophobicContact CG2-CG 3.71Å; V383-R405 HydrophobicContact CG2-CG 4.09Å; V383-P407 HydrophobicContact CG1-CB 4.47Å; V383-P407 WeakPolarHBondContact O-CA 3.45Å; V383-S408 WeakPolarHBondContact O-CB 3.28Å; V383-S408 PolarHBondContact O-N 3.04Å
384	I	97.2	Very high	96.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.9	-176.2	-56.9	178.7	0	0	0	107.9	Y230 I240 A241 V242 Y243 V386 V411	Y230-I384 HydrophobicContact CD1-CD1 3.62Å; Y230-I384 HydrophobicContact CD2-CD1 3.72Å; Y230-I384 HydrophobicContact CD2-CG1 4.34Å; Y230-I384 HydrophobicContact CE1-CD1 4.27Å; Y230-I384 HydrophobicContact CE2-CD1 4.34Å; Y230-I384 HydrophobicContact CG-CD1 3.33Å; Y230-I384 HydrophobicContact CG-CG1 4.39Å; I240-I384 HydrophobicContact CD1-CD1 3.68Å; A241-I384 PolarHBondContact O-N 3.32Å; V242-I384 HydrophobicContact CG2-CB 4.32Å; V242-I384 HydrophobicContact CG2-CD1 4.28Å; Y243-I384 PolarHBondContact N-O 2.78Å; I384-V386 HydrophobicContact CG2-CG2 4.1Å; I384-V411 HydrophobicContact CG2-CG2 3.45Å; I384-V411 VanDerWaalsContact CG2-CG2 3.45Å
385	L	97.8	Very high	96.7	Very high	15 Å²	15	35.6 Å²	35.6	8%	0.079	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.5	175	-63	-179.2	0	0	0	110.1	Y243 T390 Q396 V399 P407	Y243-L385 HydrophobicContact CD1-CD2 4.03Å; Y243-L385 HydrophobicContact CG-CD2 4.32Å; L385-T390 HydrophobicContact CB-CG2 4.26Å; L385-T390 HydrophobicContact CD2-CG2 4.32Å; L385-Q396 HydrophobicContact CD1-CG 3.82Å; L385-V399 HydrophobicContact CD2-CB 4.44Å; L385-V399 HydrophobicContact CD2-CG1 4.05Å; L385-V399 HydrophobicContact CD2-CG2 4.11Å; L385-P407 HydrophobicContact CD1-CB 3.64Å; L385-P407 HydrophobicContact CD1-CG 3.95Å; L385-P407 HydrophobicContact CD2-CB 4.19Å; L385-P407 HydrophobicContact CD2-CG 4.39Å; L385-P407 HydrophobicContact CG-CB 3.61Å; L385-P407 HydrophobicContact CG-CG 4.21Å
386	V	97.4	Very high	96.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	148.2	178.8	-174.5	0	0	0	0	108.9	A226 V242 Y243 D244 L245 I384 T390 V417	A226-V386 HydrophobicContact CB-CG1 4.29Å; A226-V386 HydrophobicContact CB-CG2 3.46Å; A226-V386 VanDerWaalsContact CB-CG2 3.46Å; V242-V386 HydrophobicContact CG1-CG2 3.72Å; Y243-V386 PolarHBondContact O-N 2.84Å; D244-V386 WeakPolarHBondContact CA-O 3.45Å; D244-V386 HydrophobicContact CB-CB 3.95Å; D244-V386 HydrophobicContact CB-CG1 4.36Å; D244-V386 WeakPolarHBondContact OD2-CG1 3.47Å; L245-V386 PolarHBondContact N-O 3.1Å; I384-V386 HydrophobicContact CG2-CG2 4.1Å; V386-T390 WeakPolarHBondContact O-CG2 3.42Å; V386-V417 HydrophobicContact CG1-CG2 3.41Å; V386-V417 VanDerWaalsContact CG1-CG2 3.41Å
387	G	96.3	Very high	96.9	Very high	9 Å²	9	39.5 Å²	39.5	9%	0.093	21%	0.211	C	C	.	.	S	Bend	trans	86	136.5	179.7	0	0	0	0	0	113.2	L245 M389 T390 P413	L245-G387 CarbonylContact O-C 3.59Å; G387-M389 PolarHBondContact O-N 2.98Å; G387-T390 WeakPolarHBondContact O-CB 3.15Å; G387-T390 PolarHBondContact O-N 3.24Å; G387-T390 PolarHBondContact O-OG1 3.08Å; G387-P413 PolarHBondContact N-O 3.28Å
388	G	95.3	Very high	97.1	Very high	34 Å²	34	34.1 Å²	34.1	35%	0.351	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-59.8	-23.5	-171.5	0	0	0	0	0	115.2	T390 R391 D414	G388-T390 PolarHBondContact O-N 2.64Å; G388-R391 VanDerWaalsContact O-CB 3.27Å; G388-R391 WeakPolarHBondContact O-CB 3.24Å; G388-R391 VanDerWaalsContact O-CG 3.32Å; G388-R391 WeakPolarHBondContact O-CG 3.39Å; G388-R391 PolarHBondContact O-N 3.37Å; G388-R391 VanDerWaalsContact O-N 3.16Å; G388-D414 WeakPolarHBondContact CA-OD1 3.29Å
389	M	97.8	Very high	97.2	Very high	10 Å²	10	29.4 Å²	29.4	5%	0.049	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-72.5	-18.1	179.1	-163.5	64.4	-97.1	0	0	112.3	L245 F278 K316 G387 R391 M392	L245-M389 HydrophobicContact CB-CB 4.43Å; L245-M389 HydrophobicContact CD2-CB 4Å; L245-M389 HydrophobicContact CD2-CG 3.73Å; L245-M389 HydrophobicContact CG-CB 3.85Å; L245-M389 HydrophobicContact CG-CG 4.02Å; L245-M389 VanDerWaalsContact O-CB 3.23Å; L245-M389 WeakPolarHBondContact O-CB 3.24Å; L245-M389 PolarHBondContact O-N 2.78Å; F278-M389 HydrophobicContact CB-SD 4.15Å; F278-M389 HydrophobicContact CD1-CE 4.19Å; F278-M389 HydrophobicContact CD1-SD 3.96Å; F278-M389 HydrophobicContact CD2-CG 4.34Å; F278-M389 HydrophobicContact CD2-SD 4.23Å; F278-M389 HydrophobicContact CE1-CE 4.48Å; F278-M389 HydrophobicContact CE1-CG 4.48Å; F278-M389 HydrophobicContact CE1-SD 4.42Å; F278-M389 HydrophobicContact CE2-CG 4.26Å; F278-M389 HydrophobicContact CG-CG 4.49Å; F278-M389 HydrophobicContact CG-SD 3.87Å; F278-M389 HydrophobicContact CZ-CG 4.34Å; K316-M389 HydrophobicContact CD-CE 4.05Å; K316-M389 HydrophobicContact CD-SD 3.8Å; K316-M389 HydrophobicContact CG-CE 4.23Å; G387-M389 PolarHBondContact O-N 2.98Å; M389-R391 PolarHBondContact O-N 3.11Å; M389-M392 HydrophobicContact CE-CB 3.61Å; M389-M392 HydrophobicContact CE-CG 4.37Å; M389-M392 HydrophobicContact CE-SD 4.05Å; M389-M392 WeakPolarHBondContact O-CB 3.28Å; M389-M392 PolarHBondContact O-N 2.76Å
390	T	97.9	Very high	97.3	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.012	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-69.4	-9.7	171.4	66.5	0	0	0	0	113.7	Y243 L245 L385 V386 G387 G388 M392 Q396	Y243-T390 HydrophobicContact CD1-CG2 3.93Å; Y243-T390 HydrophobicContact CE1-CG2 4.13Å; L245-T390 HydrophobicContact CB-CG2 3.81Å; L385-T390 HydrophobicContact CB-CG2 4.26Å; L385-T390 HydrophobicContact CD2-CG2 4.32Å; V386-T390 WeakPolarHBondContact O-CG2 3.42Å; G387-T390 WeakPolarHBondContact O-CB 3.15Å; G387-T390 PolarHBondContact O-N 3.24Å; G387-T390 PolarHBondContact O-OG1 3.08Å; G388-T390 PolarHBondContact O-N 2.64Å; T390-M392 PolarHBondContact O-N 3.32Å; T390-Q396 WeakPolarHBondContact O-CG 3.41Å; T390-Q396 PolarHBondContact O-NE2 3.45Å
391	R	96.9	Very high	97.3	Very high	114 Å²	114	34.1 Å²	34.1	43%	0.43	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-69	-17.5	172.4	-63.6	179.4	173.6	-75.1	1.7	112.6	G388 M389 P393 D414	G388-R391 VanDerWaalsContact O-CB 3.27Å; G388-R391 WeakPolarHBondContact O-CB 3.24Å; G388-R391 VanDerWaalsContact O-CG 3.32Å; G388-R391 WeakPolarHBondContact O-CG 3.39Å; G388-R391 PolarHBondContact O-N 3.37Å; G388-R391 VanDerWaalsContact O-N 3.16Å; M389-R391 PolarHBondContact O-N 3.11Å; R391-P393 WeakPolarHBondContact O-CD 3.42Å; R391-D414 IonicContact CZ-OD2 3.34Å; R391-D414 VanDerWaalsContact CZ-OD2 3.32Å; R391-D414 IonicContact NE-OD2 3.93Å; R391-D414 PolarHBondContact NE-OD2 3.01Å; R391-D414 VanDerWaalsContact NE-OD2 3.14Å; R391-D414 IonicContact NH2-OD2 3.93Å; R391-D414 PolarHBondContact NH2-OD2 2.89Å
392	M	98.1	Very high	97.4	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.015	18%	0.176	C	C	.	.	S	Bend	trans	-65.2	123.4	176.9	179.2	174.4	-173.5	0	0	111	F278 F351 E352 V355 I359 M389 T390 K394 V395 Q396	F278-M392 HydrophobicContact CD1-SD 4.2Å; F278-M392 HydrophobicContact CE1-SD 3.86Å; F351-M392 HydrophobicContact CD1-CE 3.77Å; F351-M392 HydrophobicContact CE1-CE 3.6Å; F351-M392 HydrophobicContact CE1-SD 3.85Å; E352-M392 HydrophobicContact CB-CE 4.46Å; E352-M392 HydrophobicContact CG-CE 3.66Å; V355-M392 HydrophobicContact CG2-CE 3.66Å; V355-M392 HydrophobicContact CG2-SD 4.29Å; I359-M392 HydrophobicContact CD1-CE 3.9Å; I359-M392 HydrophobicContact CD1-SD 4.05Å; M389-M392 HydrophobicContact CE-CB 3.61Å; M389-M392 HydrophobicContact CE-CG 4.37Å; M389-M392 HydrophobicContact CE-SD 4.05Å; M389-M392 WeakPolarHBondContact O-CB 3.28Å; M389-M392 PolarHBondContact O-N 2.76Å; T390-M392 PolarHBondContact O-N 3.32Å; M392-K394 VanDerWaalsContact C-N 3.26Å; M392-K394 HydrophobicContact CE-CB 3.88Å; M392-K394 HydrophobicContact CG-CB 4.3Å; M392-K394 PolarHBondContact O-N 3.48Å; M392-K394 VanDerWaalsContact O-N 3.16Å; M392-V395 HydrophobicContact CB-CB 4.26Å; M392-V395 HydrophobicContact CB-CG2 3.92Å; M392-V395 HydrophobicContact CG-CG2 4.18Å; M392-V395 WeakPolarHBondContact O-CB 3.36Å; M392-V395 PolarHBondContact O-N 3.48Å; M392-V395 HydrophobicContact SD-CG2 4.09Å; M392-Q396 PolarHBondContact O-N 3.44Å
393	P	97.8	Very high	97.4	Very high	38 Å²	38	33.4 Å²	33.4	25%	0.247	17%	0.171	C	C	.	.	H	α-helix	trans	-54.8	-38.9	-177.9	-30.3	36.1	0	0	0	114	S320 R391 V395 Q396 Q397	S320-P393 WeakPolarHBondContact O-CG 3.38Å; R391-P393 WeakPolarHBondContact O-CD 3.42Å; P393-V395 VanDerWaalsContact C-N 3.32Å; P393-V395 PolarHBondContact O-N 3.17Å; P393-Q396 PolarHBondContact O-N 3.36Å; P393-Q397 PolarHBondContact O-N 3.13Å
394	K	98.3	Very high	97.3	Very high	77 Å²	77	36.3 Å²	36.3	34%	0.335	20%	0.201	S	C	.	.	H	α-helix	trans	-65.8	-32.9	178.1	-169.7	60.3	177.5	176.7	0	113.5	E352 I359 M392 T398	E352-K394 HydrophobicContact CG-CB 3.83Å; E352-K394 HydrophobicContact CG-CG 4.1Å; I359-K394 HydrophobicContact CD1-CB 4Å; I359-K394 HydrophobicContact CD1-CG 3.64Å; M392-K394 VanDerWaalsContact C-N 3.26Å; M392-K394 HydrophobicContact CE-CB 3.88Å; M392-K394 HydrophobicContact CG-CB 4.3Å; M392-K394 PolarHBondContact O-N 3.48Å; M392-K394 VanDerWaalsContact O-N 3.16Å; K394-T398 WeakPolarHBondContact O-CB 3.32Å; K394-T398 PolarHBondContact O-N 2.76Å; K394-T398 PolarHBondContact O-OG1 3.34Å
395	V	98.2	Very high	97.2	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.9	-47.4	173.9	174.3	0	0	0	0	109.2	Y243 L245 I359 M392 P393 Q397 T398 V399	Y243-V395 HydrophobicContact CE1-CG1 3.83Å; L245-V395 HydrophobicContact CD2-CG1 4.18Å; L245-V395 HydrophobicContact CD2-CG2 4.17Å; I359-V395 HydrophobicContact CD1-CG2 4.28Å; I359-V395 HydrophobicContact CG1-CG2 4.23Å; M392-V395 HydrophobicContact CB-CB 4.26Å; M392-V395 HydrophobicContact CB-CG2 3.92Å; M392-V395 HydrophobicContact CG-CG2 4.18Å; M392-V395 WeakPolarHBondContact O-CB 3.36Å; M392-V395 PolarHBondContact O-N 3.48Å; M392-V395 HydrophobicContact SD-CG2 4.09Å; P393-V395 VanDerWaalsContact C-N 3.32Å; P393-V395 PolarHBondContact O-N 3.17Å; V395-Q397 VanDerWaalsContact C-N 3.33Å; V395-Q397 PolarHBondContact O-N 3.23Å; V395-T398 WeakPolarHBondContact O-CB 3.45Å; V395-T398 PolarHBondContact O-N 2.87Å; V395-T398 VanDerWaalsContact O-N 3.13Å; V395-V399 HydrophobicContact CG1-CG2 4.44Å; V395-V399 WeakPolarHBondContact O-CG2 3.38Å; V395-V399 PolarHBondContact O-N 3.3Å
396	Q	98	Very high	97.1	Very high	77 Å²	77	43.2 Å²	43.2	36%	0.36	24%	0.239	S	C	.	.	H	α-helix	trans	-59.7	-42.8	177.3	-59.7	-175.9	-0.4	0	0	112.3	L385 T390 M392 P393 V399 Q400	L385-Q396 HydrophobicContact CD1-CG 3.82Å; T390-Q396 WeakPolarHBondContact O-CG 3.41Å; T390-Q396 PolarHBondContact O-NE2 3.45Å; M392-Q396 PolarHBondContact O-N 3.44Å; P393-Q396 PolarHBondContact O-N 3.36Å; Q396-V399 PolarHBondContact O-N 3.01Å; Q396-Q400 WeakPolarHBondContact O-CB 3.3Å; Q396-Q400 PolarHBondContact O-N 2.87Å
397	Q	98.1	Very high	97	Very high	83 Å²	83	44.4 Å²	44.4	39%	0.388	25%	0.247	S	C	.	.	H	α-helix	trans	-61.4	-45.6	174.7	-174.5	63.5	53.8	0	0	111.3	P393 V395 V399 Q400 D401	P393-Q397 PolarHBondContact O-N 3.13Å; V395-Q397 VanDerWaalsContact C-N 3.33Å; V395-Q397 PolarHBondContact O-N 3.23Å; Q397-V399 VanDerWaalsContact C-N 3.31Å; Q397-V399 PolarHBondContact O-N 3.21Å; Q397-Q400 PolarHBondContact O-N 3.38Å; Q397-D401 PolarHBondContact NE2-OD1 2.92Å; Q397-D401 WeakPolarHBondContact O-CB 3.12Å; Q397-D401 PolarHBondContact O-N 3.09Å
398	T	98.1	Very high	96.9	Very high	18 Å²	18	45.1 Å²	45.1	11%	0.11	25%	0.25	C	S	.	.	H	α-helix	trans	-61.4	-41.8	179	-57	0	0	0	0	111.3	I359 I363 K394 V395 D401 L402	I359-T398 HydrophobicContact CG2-CG2 3.98Å; I359-T398 WeakPolarHBondContact CG2-OG1 3.47Å; I363-T398 HydrophobicContact CD1-CG2 3.99Å; I363-T398 HydrophobicContact CG1-CG2 3.92Å; K394-T398 WeakPolarHBondContact O-CB 3.32Å; K394-T398 PolarHBondContact O-N 2.76Å; K394-T398 PolarHBondContact O-OG1 3.34Å; V395-T398 WeakPolarHBondContact O-CB 3.45Å; V395-T398 PolarHBondContact O-N 2.87Å; V395-T398 VanDerWaalsContact O-N 3.13Å; T398-D401 PolarHBondContact O-N 3.04Å; T398-L402 WeakPolarHBondContact O-CB 2.96Å; T398-L402 PolarHBondContact O-N 3.1Å
399	V	97.6	Very high	96.7	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-44.6	174.9	173.8	0	0	0	0	110.6	Y243 V383 L385 V395 Q396 Q397 D401 L402 F403 P407	Y243-V399 HydrophobicContact CD1-CG2 4Å; Y243-V399 HydrophobicContact CD2-CG2 3.76Å; Y243-V399 HydrophobicContact CE1-CG2 3.95Å; Y243-V399 HydrophobicContact CE2-CG2 3.68Å; Y243-V399 HydrophobicContact CG-CG2 3.92Å; V383-V399 HydrophobicContact CG1-CG1 3.54Å; L385-V399 HydrophobicContact CD2-CB 4.44Å; L385-V399 HydrophobicContact CD2-CG1 4.05Å; L385-V399 HydrophobicContact CD2-CG2 4.11Å; V395-V399 HydrophobicContact CG1-CG2 4.44Å; V395-V399 WeakPolarHBondContact O-CG2 3.38Å; V395-V399 PolarHBondContact O-N 3.3Å; Q396-V399 PolarHBondContact O-N 3.01Å; Q397-V399 VanDerWaalsContact C-N 3.31Å; Q397-V399 PolarHBondContact O-N 3.21Å; V399-D401 VanDerWaalsContact C-N 3.35Å; V399-D401 PolarHBondContact O-N 2.69Å; V399-L402 PolarHBondContact O-N 3.41Å; V399-F403 HydrophobicContact CG1-CD2 3.7Å; V399-F403 HydrophobicContact CG1-CE2 4.01Å; V399-F403 VanDerWaalsContact O-CD2 3.31Å; V399-F403 WeakPolarHBondContact O-CD2 3.45Å; V399-F403 PolarHBondContact O-N 2.88Å; V399-P407 HydrophobicContact CB-CG 4.36Å; V399-P407 HydrophobicContact CG1-CG 3.85Å
400	Q	97.6	Very high	96.2	Very high	81 Å²	81	55.7 Å²	55.7	38%	0.379	30%	0.298	S	S	.	.	H	α-helix	trans	-61.3	-42.9	177.5	-179.7	171.7	2.8	0	0	112.3	Q396 Q397 L402 G404 R405	Q396-Q400 WeakPolarHBondContact O-CB 3.3Å; Q396-Q400 PolarHBondContact O-N 2.87Å; Q397-Q400 PolarHBondContact O-N 3.38Å; Q400-L402 VanDerWaalsContact C-N 3.33Å; Q400-G404 WeakPolarHBondContact O-CA 3.31Å; Q400-G404 PolarHBondContact O-N 3.3Å; Q400-R405 WeakPolarHBondContact CA-O 3.45Å; Q400-R405 PolarHBondContact O-N 2.84Å
401	D	96.8	Very high	95.9	Very high	107 Å²	107	56.8 Å²	56.8	57%	0.572	31%	0.305	S	S	*	.	H	α-helix	trans	-65.3	-38.9	177.5	-64.6	-20.7	0	0	0	111.3	Q397 T398 V399	Q397-D401 PolarHBondContact NE2-OD1 2.92Å; Q397-D401 WeakPolarHBondContact O-CB 3.12Å; Q397-D401 PolarHBondContact O-N 3.09Å; T398-D401 PolarHBondContact O-N 3.04Å; V399-D401 VanDerWaalsContact C-N 3.35Å; V399-D401 PolarHBondContact O-N 2.69Å
402	L	96.6	Very high	95.8	Very high	28 Å²	28	54.3 Å²	54.3	15%	0.147	30%	0.3	C	S	.	.	H	α-helix	trans	-69	-47.7	-178	-179.7	59.5	0	0	0	112.8	I363 C366 Q367 M370 T398 V399 Q400	I363-L402 HydrophobicContact CG2-CD1 4.12Å; C366-L402 HydrophobicContact CB-CD2 3.31Å; C366-L402 HydrophobicContact CB-CG 4.35Å; Q367-L402 HydrophobicContact CG-CD1 4.09Å; M370-L402 HydrophobicContact CE-CD1 4.44Å; T398-L402 WeakPolarHBondContact O-CB 2.96Å; T398-L402 PolarHBondContact O-N 3.1Å; V399-L402 PolarHBondContact O-N 3.41Å; Q400-L402 VanDerWaalsContact C-N 3.33Å
403	F	96.6	Very high	95.6	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.018	31%	0.307	C	S	.	.	H	α-helix	trans	-94.3	-9.2	-177.2	-64.5	-75.8	0	0	0	113.2	A241 I252 C366 M370 I380 V383 V399 R405	A241-F403 HydrophobicContact CB-CD1 4.36Å; A241-F403 HydrophobicContact CB-CE1 3.81Å; A241-F403 HydrophobicContact CB-CZ 4.01Å; I252-F403 HydrophobicContact CD1-CZ 4.07Å; C366-F403 HydrophobicContact CB-CZ 4.09Å; M370-F403 HydrophobicContact CE-CD1 4.48Å; M370-F403 HydrophobicContact CE-CE1 4.19Å; M370-F403 HydrophobicContact CG-CE1 4.25Å; M370-F403 HydrophobicContact SD-CD1 3.87Å; M370-F403 HydrophobicContact SD-CE1 3.73Å; I380-F403 HydrophobicContact CG1-CD1 4.29Å; I380-F403 HydrophobicContact CG2-CD1 4.49Å; V383-F403 HydrophobicContact CG1-CD2 4.04Å; V383-F403 HydrophobicContact CG1-CE2 4.29Å; V383-F403 HydrophobicContact CG2-CB 3.67Å; V383-F403 HydrophobicContact CG2-CD1 4.28Å; V383-F403 HydrophobicContact CG2-CD2 3.94Å; V383-F403 HydrophobicContact CG2-CG 3.71Å; V399-F403 HydrophobicContact CG1-CD2 3.7Å; V399-F403 HydrophobicContact CG1-CE2 4.01Å; V399-F403 VanDerWaalsContact O-CD2 3.31Å; V399-F403 WeakPolarHBondContact O-CD2 3.45Å; V399-F403 PolarHBondContact O-N 2.88Å; F403-R405 PolarHBondContact O-N 2.93Å
404	G	95.7	Very high	95.5	Very high	61 Å²	61	55.9 Å²	55.9	63%	0.629	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	21.2	-177.9	0	0	0	0	0	113.8	Q400	Q400-G404 WeakPolarHBondContact O-CA 3.31Å; Q400-G404 PolarHBondContact O-N 3.3Å
405	R	94.9	Very high	95.4	Very high	98 Å²	98	53.5 Å²	53.5	37%	0.37	30%	0.298	S	S	.	.	S	Bend	trans	-146.8	141.1	-170.1	141.9	178.6	-69.3	-97.5	4.4	110.5	I380 G381 V383 Q400 F403	I380-R405 PolarHBondContact O-NE 3.26Å; G381-R405 PolarHBondContact O-NH1 3.42Å; G381-R405 PolarHBondContact O-NH2 3.02Å; V383-R405 HydrophobicContact CG2-CG 4.09Å; Q400-R405 WeakPolarHBondContact CA-O 3.45Å; Q400-R405 PolarHBondContact O-N 2.84Å; F403-R405 PolarHBondContact O-N 2.93Å
406	A	95.7	Very high	95.3	Very high	62 Å²	62	53.5 Å²	53.5	51%	0.512	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-65.6	131.9	171.7	0	0	0	0	0	110.2
407	P	95.8	Very high	95.3	Very high	25 Å²	25	50 Å²	50	16%	0.162	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-63.7	148.9	175.5	-18.9	30.6	0	0	0	112.3	V383 L385 V399	V383-P407 HydrophobicContact CG1-CB 4.47Å; V383-P407 WeakPolarHBondContact O-CA 3.45Å; L385-P407 HydrophobicContact CD1-CB 3.64Å; L385-P407 HydrophobicContact CD1-CG 3.95Å; L385-P407 HydrophobicContact CD2-CB 4.19Å; L385-P407 HydrophobicContact CD2-CG 4.39Å; L385-P407 HydrophobicContact CG-CB 3.61Å; L385-P407 HydrophobicContact CG-CG 4.21Å; V399-P407 HydrophobicContact CB-CG 4.36Å; V399-P407 HydrophobicContact CG1-CG 3.85Å
408	S	93.6	Very high	95.3	Very high	24 Å²	24	46.1 Å²	46.1	17%	0.168	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-66.7	148.4	179	-170	0	0	0	0	112	E382 V383 A410	E382-S408 WeakPolarHBondContact OE1-CB 3.22Å; E382-S408 PolarHBondContact OE1-OG 3.02Å; V383-S408 WeakPolarHBondContact O-CB 3.28Å; V383-S408 PolarHBondContact O-N 3.04Å; S408-A410 VanDerWaalsContact OG-CB 3.26Å; S408-A410 WeakPolarHBondContact OG-CB 3.45Å; S408-A410 PolarHBondContact OG-N 3.38Å; S408-A410 VanDerWaalsContact OG-N 3.11Å
409	K	90.5	Very high	95.3	Very high	203 Å²	203	47.1 Å²	47.1	88%	0.883	27%	0.268	S	S	*	.			trans	-108.8	13	169.9	-62.3	-177.3	175.3	178.8	0	112	V411	K409-V411 VanDerWaalsContact C-N 3.28Å; K409-V411 PolarHBondContact O-N 3.14Å
410	A	88.7	Confident	95.2	Very high	63 Å²	63	47 Å²	47	52%	0.521	27%	0.268	S	S	.	.	S	Bend	trans	-72.2	-19.5	-174.1	0	0	0	0	0	113.8	Y230 S408	Y230-A410 HydrophobicContact CD2-CB 4.08Å; Y230-A410 HydrophobicContact CE2-CB 4.13Å; S408-A410 VanDerWaalsContact OG-CB 3.26Å; S408-A410 WeakPolarHBondContact OG-CB 3.45Å; S408-A410 PolarHBondContact OG-N 3.38Å; S408-A410 VanDerWaalsContact OG-N 3.11Å
411	V	90.2	Very high	95.2	Very high	26 Å²	26	43.2 Å²	43.2	16%	0.158	25%	0.25	C	C	.	.	S	Bend	trans	-123.8	149.3	179.4	-60.3	0	0	0	0	111.4	Y230 I384 K409 A416	Y230-V411 HydrophobicContact CD2-CG1 4.31Å; I384-V411 HydrophobicContact CG2-CG2 3.45Å; I384-V411 VanDerWaalsContact CG2-CG2 3.45Å; K409-V411 VanDerWaalsContact C-N 3.28Å; K409-V411 PolarHBondContact O-N 3.14Å; V411-A416 HydrophobicContact CB-CB 4.04Å; V411-A416 HydrophobicContact CG2-CB 4.3Å
412	N	94.8	Very high	95.2	Very high	61 Å²	61	38.1 Å²	38.1	33%	0.326	22%	0.223	S	C	.	.			trans	-81.1	119.4	169.8	-179.2	-13.8	0	0	0	109.1	D414 E415 A416	N412-D414 PolarHBondContact O-N 2.96Å; N412-D414 VanDerWaalsContact O-N 3.12Å; N412-D414 PolarHBondContact OD1-N 3.41Å; N412-D414 VanDerWaalsContact OD1-N 3.12Å; N412-E415 HydrophobicContact CB-CB 4.15Å; N412-E415 PolarHBondContact ND2-OE1 3.23Å; N412-E415 VanDerWaalsContact ND2-OE1 3.11Å; N412-E415 PolarHBondContact O-N 3.41Å; N412-E415 VanDerWaalsContact O-N 3.15Å; N412-A416 WeakPolarHBondContact O-CB 3.42Å; N412-A416 PolarHBondContact O-N 3.1Å
413	P	94.6	Very high	95.2	Very high	24 Å²	24	36.9 Å²	36.9	16%	0.156	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.6	-174.4	26.5	-36.4	0	0	0	114.2	G387	G387-P413 PolarHBondContact N-O 3.28Å
414	D	94.6	Very high	95.1	Very high	50 Å²	50	36.9 Å²	36.9	27%	0.267	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-10.5	-179.2	-57.8	-49.7	0	0	0	113.1	G388 R391 N412	G388-D414 WeakPolarHBondContact CA-OD1 3.29Å; R391-D414 IonicContact CZ-OD2 3.34Å; R391-D414 VanDerWaalsContact CZ-OD2 3.32Å; R391-D414 IonicContact NE-OD2 3.93Å; R391-D414 PolarHBondContact NE-OD2 3.01Å; R391-D414 VanDerWaalsContact NE-OD2 3.14Å; R391-D414 IonicContact NH2-OD2 3.93Å; R391-D414 PolarHBondContact NH2-OD2 2.89Å; N412-D414 PolarHBondContact O-N 2.96Å; N412-D414 VanDerWaalsContact O-N 3.12Å; N412-D414 PolarHBondContact OD1-N 3.41Å; N412-D414 VanDerWaalsContact OD1-N 3.12Å
415	E	96.8	Very high	95	Very high	27 Å²	27	34 Å²	34	13%	0.126	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-25.3	-172.1	-69.8	-178.4	-151.1	0	0	113.3	V77 R85 N412 V417 A418 I419	V77-E415 HydrophobicContact CG1-CG 4.35Å; V77-E415 HydrophobicContact CG2-CB 4.03Å; V77-E415 HydrophobicContact CG2-CG 4.18Å; R85-E415 IonicContact CZ-OE1 2.59Å; R85-E415 IonicContact CZ-OE2 3.16Å; R85-E415 VanDerWaalsContact NE-CD 3.33Å; R85-E415 IonicContact NE-OE1 3.17Å; R85-E415 PolarHBondContact NE-OE1 3.19Å; R85-E415 IonicContact NE-OE2 3.8Å; R85-E415 PolarHBondContact NE-OE2 2.83Å; R85-E415 IonicContact NH2-OE1 2.75Å; R85-E415 IonicContact NH2-OE2 2.72Å; R85-E415 PolarHBondContact NH2-OE2 3.36Å; N412-E415 HydrophobicContact CB-CB 4.15Å; N412-E415 PolarHBondContact ND2-OE1 3.23Å; N412-E415 VanDerWaalsContact ND2-OE1 3.11Å; N412-E415 PolarHBondContact O-N 3.41Å; N412-E415 VanDerWaalsContact O-N 3.15Å; E415-V417 PolarHBondContact O-N 2.99Å; E415-V417 VanDerWaalsContact O-N 3.16Å; E415-A418 PolarHBondContact O-N 3.31Å; E415-A418 VanDerWaalsContact O-N 3.13Å; E415-I419 HydrophobicContact CB-CD1 4.12Å; E415-I419 WeakPolarHBondContact O-CG1 3.36Å; E415-I419 PolarHBondContact O-N 2.67Å
416	A	96.5	Very high	94.9	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-54.5	-38.7	-173.1	0	0	0	0	0	113.2	A226 A229 V411 N412 I419 G420	A226-A416 HydrophobicContact CB-CB 4.2Å; A229-A416 HydrophobicContact CB-CB 4.27Å; A229-A416 WeakPolarHBondContact CB-O 3.34Å; V411-A416 HydrophobicContact CB-CB 4.04Å; V411-A416 HydrophobicContact CG2-CB 4.3Å; N412-A416 WeakPolarHBondContact O-CB 3.42Å; N412-A416 PolarHBondContact O-N 3.1Å; A416-I419 PolarHBondContact O-N 2.9Å; A416-G420 PolarHBondContact O-N 3.41Å
417	V	97.9	Very high	94.7	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.024	16%	0.157	C	C	.	.	H	α-helix	trans	-66	-47.1	-179.5	177.4	0	0	0	0	111.3	D59 T192 E222 A225 A226 V386 E415 G420 A421	D59-V417 HydrophobicContact CB-CB 4.2Å; D59-V417 HydrophobicContact CB-CG1 3.84Å; D59-V417 VanDerWaalsContact CG-CG1 3.47Å; D59-V417 WeakPolarHBondContact OD1-CG1 3.47Å; T192-V417 HydrophobicContact CG2-CG1 3.39Å; E222-V417 HydrophobicContact CB-CG1 4.23Å; E222-V417 HydrophobicContact CB-CG2 4.44Å; E222-V417 HydrophobicContact CG-CG1 3.93Å; A225-V417 HydrophobicContact CB-CG1 4.37Å; A225-V417 WeakPolarHBondContact CB-O 3.46Å; A226-V417 HydrophobicContact CB-CG2 4.37Å; V386-V417 HydrophobicContact CG1-CG2 3.41Å; V386-V417 VanDerWaalsContact CG1-CG2 3.41Å; E415-V417 PolarHBondContact O-N 2.99Å; E415-V417 VanDerWaalsContact O-N 3.16Å; V417-G420 PolarHBondContact O-N 2.89Å; V417-A421 PolarHBondContact O-N 3.26Å
418	A	98.2	Very high	94.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.9	-40.5	178	0	0	0	0	0	111.8	D59 C66 A68 E415 G420 A421 A422	D59-A418 HydrophobicContact CB-CB 3.89Å; C66-A418 HydrophobicContact CB-CB 3.79Å; C66-A418 VanDerWaalsContact SG-CB 3.53Å; A68-A418 HydrophobicContact CB-CB 4.18Å; E415-A418 PolarHBondContact O-N 3.31Å; E415-A418 VanDerWaalsContact O-N 3.13Å; A418-G420 VanDerWaalsContact C-N 3.35Å; A418-G420 PolarHBondContact O-N 3.11Å; A418-A421 PolarHBondContact O-N 3.22Å; A418-A422 PolarHBondContact O-N 3.49Å
419	I	97.6	Very high	94.3	Very high	39 Å²	39	30.6 Å²	30.6	20%	0.2	17%	0.171	C	C	.	.	H	α-helix	trans	-57.2	-49.3	174	-69.9	171.5	0	0	0	110.3	A75 V77 A229 E415 A416 A421 A422 I423	A75-I419 HydrophobicContact CB-CB 4.49Å; A75-I419 HydrophobicContact CB-CG2 3.78Å; V77-I419 HydrophobicContact CG2-CD1 4.14Å; V77-I419 HydrophobicContact CG2-CG1 3.65Å; A229-I419 HydrophobicContact CB-CB 3.94Å; A229-I419 HydrophobicContact CB-CG2 3.55Å; E415-I419 HydrophobicContact CB-CD1 4.12Å; E415-I419 WeakPolarHBondContact O-CG1 3.36Å; E415-I419 PolarHBondContact O-N 2.67Å; A416-I419 PolarHBondContact O-N 2.9Å; I419-A421 VanDerWaalsContact C-N 3.34Å; I419-A421 PolarHBondContact O-N 2.93Å; I419-A422 WeakPolarHBondContact O-CB 3.19Å; I419-A422 PolarHBondContact O-N 2.9Å; I419-A422 VanDerWaalsContact O-N 3.16Å; I419-I423 HydrophobicContact CG2-CD1 3.97Å; I419-I423 WeakPolarHBondContact O-CG1 3.17Å; I419-I423 PolarHBondContact O-N 3.15Å
420	G	96.4	Very high	94.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-40.9	176.9	0	0	0	0	0	113.9	A225 A416 V417 A418 A422 I423 Q424	A225-G420 WeakPolarHBondContact O-CA 3.47Å; A416-G420 PolarHBondContact O-N 3.41Å; V417-G420 PolarHBondContact O-N 2.89Å; A418-G420 VanDerWaalsContact C-N 3.35Å; A418-G420 PolarHBondContact O-N 3.11Å; G420-A422 VanDerWaalsContact C-N 3.32Å; G420-A422 PolarHBondContact O-N 2.81Å; G420-I423 PolarHBondContact O-N 2.82Å; G420-Q424 PolarHBondContact O-N 2.59Å
421	A	97.6	Very high	93.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.3	-38.8	175.3	0	0	0	0	0	111.8	V190 T192 I220 V417 A418 I419 Q424 G425	V190-A421 HydrophobicContact CB-CB 4.48Å; V190-A421 HydrophobicContact CG1-CB 4.11Å; T192-A421 HydrophobicContact CG2-CB 3.82Å; I220-A421 HydrophobicContact CG2-CB 4.28Å; V417-A421 PolarHBondContact O-N 3.26Å; A418-A421 PolarHBondContact O-N 3.22Å; I419-A421 VanDerWaalsContact C-N 3.34Å; I419-A421 PolarHBondContact O-N 2.93Å; A421-Q424 PolarHBondContact O-N 3.48Å; A421-G425 PolarHBondContact O-N 2.76Å
422	A	97.1	Very high	93.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.8	-42.4	175.5	0	0	0	0	0	111.6	A68 M70 A75 A418 I419 G420 Q424 G425 G426	A68-A422 HydrophobicContact CB-CB 3.82Å; M70-A422 HydrophobicContact CG-CB 4.45Å; M70-A422 WeakPolarHBondContact CG-O 3.41Å; M70-A422 HydrophobicContact SD-CB 4.31Å; A75-A422 HydrophobicContact CB-CB 4.28Å; A418-A422 PolarHBondContact O-N 3.49Å; I419-A422 WeakPolarHBondContact O-CB 3.19Å; I419-A422 PolarHBondContact O-N 2.9Å; I419-A422 VanDerWaalsContact O-N 3.16Å; G420-A422 VanDerWaalsContact C-N 3.32Å; G420-A422 PolarHBondContact O-N 2.81Å; A422-Q424 VanDerWaalsContact C-N 3.33Å; A422-Q424 PolarHBondContact O-N 3.11Å; A422-G425 CarbonylContact O-C 3.55Å; A422-G425 WeakPolarHBondContact O-CA 3.32Å; A422-G425 PolarHBondContact O-N 3.4Å; A422-G426 PolarHBondContact O-N 2.91Å
423	I	95.2	Very high	93.1	Very high	3 Å²	3	27 Å²	27	2%	0.015	17%	0.167	C	C	.	.	H	α-helix	trans	-58.1	-46.6	173.9	-66.7	164.3	0	0	0	110.3	M70 A75 L228 L232 I419 G420 G425 G426 V427	M70-I423 HydrophobicContact SD-CG1 4.12Å; A75-I423 HydrophobicContact CB-CG1 4.01Å; L228-I423 HydrophobicContact CB-CG2 4.46Å; L232-I423 HydrophobicContact CB-CD1 4.34Å; L232-I423 HydrophobicContact CD1-CG2 4.15Å; L232-I423 HydrophobicContact CD2-CD1 3.88Å; L232-I423 HydrophobicContact CD2-CG1 4.15Å; I419-I423 HydrophobicContact CG2-CD1 3.97Å; I419-I423 WeakPolarHBondContact O-CG1 3.17Å; I419-I423 PolarHBondContact O-N 3.15Å; G420-I423 PolarHBondContact O-N 2.82Å; I423-G425 VanDerWaalsContact C-N 3.25Å; I423-G425 PolarHBondContact O-N 2.51Å; I423-G426 WeakPolarHBondContact O-CA 3.35Å; I423-G426 PolarHBondContact O-N 2.89Å; I423-V427 WeakPolarHBondContact O-CG2 3.17Å; I423-V427 PolarHBondContact O-N 3.01Å
424	Q	94.6	Very high	92.5	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.019	19%	0.193	C	C	.	.	H	α-helix	trans	-60	-36.9	175.3	179.6	60.5	57.8	0	0	112.1	V190 I220 L228 G420 A421 A422 V427 L428	V190-Q424 HydrophobicContact CG1-CB 4.27Å; V190-Q424 HydrophobicContact CG1-CG 4.1Å; V190-Q424 HydrophobicContact CG2-CG 4.32Å; I220-Q424 HydrophobicContact CD1-CB 3.84Å; I220-Q424 HydrophobicContact CD1-CG 3.87Å; L228-Q424 HydrophobicContact CD1-CB 4.21Å; G420-Q424 PolarHBondContact O-N 2.59Å; A421-Q424 PolarHBondContact O-N 3.48Å; A422-Q424 VanDerWaalsContact C-N 3.33Å; A422-Q424 PolarHBondContact O-N 3.11Å; Q424-V427 PolarHBondContact O-N 3.03Å; Q424-L428 HydrophobicContact CG-CD1 4.49Å; Q424-L428 WeakPolarHBondContact O-CG 3.34Å; Q424-L428 PolarHBondContact O-N 2.79Å; Q424-L428 VanDerWaalsContact O-N 3.08Å
425	G	94.4	Very high	92.1	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.01	19%	0.186	C	C	.	.	H	α-helix	trans	-61.1	-44.4	171.9	0	0	0	0	0	112.4	A421 A422 I423 V427 L428 A429	A421-G425 PolarHBondContact O-N 2.76Å; A422-G425 CarbonylContact O-C 3.55Å; A422-G425 WeakPolarHBondContact O-CA 3.32Å; A422-G425 PolarHBondContact O-N 3.4Å; I423-G425 VanDerWaalsContact C-N 3.25Å; I423-G425 PolarHBondContact O-N 2.51Å; G425-V427 VanDerWaalsContact C-N 3.34Å; G425-V427 PolarHBondContact O-N 3.38Å; G425-L428 PolarHBondContact O-N 3.26Å; G425-A429 WeakPolarHBondContact O-CB 3.38Å; G425-A429 PolarHBondContact O-N 3.04Å
426	G	92.9	Very high	91.6	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-62	-36.7	173.8	0	0	0	0	0	113.4	A422 I423 A429 G430 D431 V432	A422-G426 PolarHBondContact O-N 2.91Å; I423-G426 WeakPolarHBondContact O-CA 3.35Å; I423-G426 PolarHBondContact O-N 2.89Å; G426-A429 PolarHBondContact O-N 2.8Å; G426-G430 PolarHBondContact O-N 3.4Å; G426-D431 PolarHBondContact O-N 3.17Å; G426-V432 PolarHBondContact O-N 3.39Å; G426-V432 VanDerWaalsContact O-N 3.16Å
427	V	91.4	Very high	91.3	Very high	38 Å²	38	34.9 Å²	34.9	23%	0.23	21%	0.208	C	C	.	.	H	α-helix	trans	-63.4	-43.9	173.4	174.2	0	0	0	0	111	I423 Q424 G425 G430 V432 V435	I423-V427 WeakPolarHBondContact O-CG2 3.17Å; I423-V427 PolarHBondContact O-N 3.01Å; Q424-V427 PolarHBondContact O-N 3.03Å; G425-V427 VanDerWaalsContact C-N 3.34Å; G425-V427 PolarHBondContact O-N 3.38Å; V427-G430 PolarHBondContact O-N 3.25Å; V427-V432 HydrophobicContact CG2-CB 3.81Å; V427-V432 HydrophobicContact CG2-CG1 3.81Å; V427-V435 HydrophobicContact CG2-CB 3.95Å; V427-V435 HydrophobicContact CG2-CG1 4.15Å
428	L	90.2	Very high	90.8	Very high	61 Å²	61	37.1 Å²	37.1	32%	0.319	22%	0.22	S	C	.	.	H	α-helix	trans	-67.5	-39.3	178.6	-67	168.5	0	0	0	111.9	I51 V190 L217 R218 Q424 G425 G430	I51-L428 HydrophobicContact CD1-CB 3.91Å; I51-L428 WeakPolarHBondContact CD1-O 3.5Å; V190-L428 HydrophobicContact CG2-CD1 3.9Å; L217-L428 HydrophobicContact CB-CD1 4Å; R218-L428 HydrophobicContact CB-CD1 3.84Å; Q424-L428 HydrophobicContact CG-CD1 4.49Å; Q424-L428 WeakPolarHBondContact O-CG 3.34Å; Q424-L428 PolarHBondContact O-N 2.79Å; Q424-L428 VanDerWaalsContact O-N 3.08Å; G425-L428 PolarHBondContact O-N 3.26Å; L428-G430 PolarHBondContact O-N 3.48Å
429	A	89.4	Confident	90.3	Very high	36 Å²	36	37.6 Å²	37.6	30%	0.298	22%	0.222	S	C	.	.	H	α-helix	trans	-70	-17.4	175.9	0	0	0	0	0	113.3	V55 G425 G426	V55-A429 HydrophobicContact CG2-CB 4.32Å; G425-A429 WeakPolarHBondContact O-CB 3.38Å; G425-A429 PolarHBondContact O-N 3.04Å; G426-A429 PolarHBondContact O-N 2.8Å
430	G	86.8	Confident	89.9	Confident	45 Å²	45	35.9 Å²	35.9	46%	0.464	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	5.7	-176.5	0	0	0	0	0	114.4	G426 V427 L428 V432	G426-G430 PolarHBondContact O-N 3.4Å; V427-G430 PolarHBondContact O-N 3.25Å; L428-G430 PolarHBondContact O-N 3.48Å; G430-V432 VanDerWaalsContact C-N 3.32Å
431	D	84.6	Confident	89.4	Confident	106 Å²	106	36.3 Å²	36.3	57%	0.567	22%	0.216	S	C	*	.	S	Bend	trans	-74.7	-24.3	177.3	-62	-37.9	0	0	0	112.1	G426	G426-D431 PolarHBondContact O-N 3.17Å
432	V	85.3	Confident	88.4	Confident	19 Å²	19	36.7 Å²	36.7	12%	0.115	22%	0.219	C	C	.	.			trans	-118	110.7	176.3	-177.9	0	0	0	0	109.2	M70 L232 G426 V427 G430 V435	M70-V432 HydrophobicContact CE-CG2 3.86Å; L232-V432 HydrophobicContact CD1-CG1 4.39Å; G426-V432 PolarHBondContact O-N 3.39Å; G426-V432 VanDerWaalsContact O-N 3.16Å; V427-V432 HydrophobicContact CG2-CB 3.81Å; V427-V432 HydrophobicContact CG2-CG1 3.81Å; G430-V432 VanDerWaalsContact C-N 3.32Å; V432-V435 HydrophobicContact CG1-CB 4.17Å; V432-V435 HydrophobicContact CG1-CG2 3.72Å
433	T	82.6	Confident	87.8	Confident	108 Å²	108	37.9 Å²	37.9	66%	0.663	23%	0.225	S	C	*	.			trans	-104.1	-19.3	-169.9	56.3	0	0	0	0	115.5
434	D	82.7	Confident	87.5	Confident	133 Å²	133	37.8 Å²	37.8	71%	0.711	22%	0.224	S	C	*	.	S	Bend	trans	-103.4	21.7	-169.1	-55.2	-30.1	0	0	0	112.4	G260	G260-D434 WeakPolarHBondContact CA-O 3.42Å
435	V	86	Confident	87.4	Confident	19 Å²	19	37.6 Å²	37.6	12%	0.115	22%	0.224	C	C	.	.			trans	-120.9	125.4	-180	176.3	0	0	0	0	109.7	L228 L232 G260 F262 V427 V432	L228-V435 HydrophobicContact CD2-CG1 3.64Å; L232-V435 HydrophobicContact CD1-CG2 3.8Å; G260-V435 CarbonylContact O-C 3.6Å; G260-V435 VanDerWaalsContact O-CA 3.32Å; G260-V435 WeakPolarHBondContact O-CA 3.29Å; F262-V435 HydrophobicContact CD2-CG1 4.03Å; F262-V435 HydrophobicContact CE2-CG1 4.04Å; V427-V435 HydrophobicContact CG2-CB 3.95Å; V427-V435 HydrophobicContact CG2-CG1 4.15Å; V432-V435 HydrophobicContact CG1-CB 4.17Å; V432-V435 HydrophobicContact CG1-CG2 3.72Å
436	L	86.8	Confident	87.3	Confident	93 Å²	93	37.6 Å²	37.6	49%	0.487	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	124.9	171.1	179.3	64.5	0	0	0	109.1	G260 V261 F262 L438	G260-L436 PolarHBondContact O-N 2.89Å; V261-L436 CarbonylContact C-O 3.55Å; V261-L436 WeakPolarHBondContact CA-O 3.3Å; V261-L436 HydrophobicContact CG1-CD2 4.4Å; V261-L436 HydrophobicContact CG2-CB 4.33Å; V261-L436 HydrophobicContact CG2-CD2 4.41Å; F262-L436 PolarHBondContact N-O 3.23Å; L436-L438 HydrophobicContact CG-CD2 4.45Å
437	L	88.9	Confident	87.3	Confident	21 Å²	21	37.9 Å²	37.9	11%	0.11	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122.4	178.4	179.4	66.8	0	0	0	110.9	I220 T224 F262	I220-L437 HydrophobicContact CD1-CD2 4.05Å; T224-L437 HydrophobicContact CG2-CD1 3.17Å; T224-L437 HydrophobicContact CG2-CD2 3.54Å; T224-L437 HydrophobicContact CG2-CG 3.91Å; F262-L437 HydrophobicContact CB-CD1 3.8Å
438	L	88.8	Confident	87.2	Confident	51 Å²	51	39.2 Å²	39.2	27%	0.267	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	104.8	173.5	-59.6	177.3	0	0	0	108.3	V261 F262 E263 V264 L436 T463	V261-L438 HydrophobicContact CG1-CD1 4.1Å; V261-L438 HydrophobicContact CG1-CG 4.5Å; F262-L438 PolarHBondContact O-N 2.86Å; E263-L438 HydrophobicContact CB-CB 4.37Å; E263-L438 HydrophobicContact CG-CB 4.22Å; E263-L438 HydrophobicContact CG-CD1 4.41Å; V264-L438 PolarHBondContact N-O 2.98Å; L436-L438 HydrophobicContact CG-CD2 4.45Å; L438-T463 HydrophobicContact CB-CG2 3.97Å
439	D	88.1	Confident	86.9	Confident	10 Å²	10	38 Å²	38	5%	0.053	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	175.1	179.5	-146.6	-29.6	0	0	0	110.6	N221 T463 I464	N221-D439 VanDerWaalsContact ND2-CG 3.32Å; N221-D439 PolarHBondContact ND2-OD1 2.61Å; N221-D439 PolarHBondContact ND2-OD2 3.47Å; D439-T463 CarbonylContact O-C 3.57Å; D439-T463 VanDerWaalsContact O-CA 3.27Å; D439-T463 WeakPolarHBondContact O-CA 3.47Å; D439-I464 HydrophobicContact CB-CD1 4.42Å; D439-I464 HydrophobicContact CB-CG1 4.16Å; D439-I464 WeakPolarHBondContact O-CG1 3.45Å; D439-I464 PolarHBondContact O-N 2.97Å
440	V	88.6	Confident	86.3	Confident	3 Å²	3	43.2 Å²	43.2	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	157.8	179.7	-61.5	0	0	0	0	112.5	V264 T267 N461 T462	V264-V440 HydrophobicContact CB-CG1 4.19Å; V264-V440 HydrophobicContact CB-CG2 4.14Å; V264-V440 HydrophobicContact CG1-CG1 4.42Å; V264-V440 HydrophobicContact CG1-CG2 3.63Å; V264-V440 WeakPolarHBondContact O-CG1 3.46Å; T267-V440 HydrophobicContact CG2-CG2 4.15Å; V440-N461 VanDerWaalsContact CG1-O 3.29Å; V440-N461 WeakPolarHBondContact CG1-O 3.4Å; V440-T462 VanDerWaalsContact CA-O 3.29Å; V440-T462 WeakPolarHBondContact CA-O 3.43Å
441	T	85	Confident	85.7	Confident	9 Å²	9	44 Å²	44	6%	0.055	25%	0.254	C	S	.	.			trans	-75.1	129.6	167.5	178.1	0	0	0	0	110.9	L443 I458 N461 T462 I524	T441-L443 VanDerWaalsContact C-N 3.32Å; T441-L443 PolarHBondContact O-N 2.97Å; T441-L443 PolarHBondContact OG1-O 2.86Å; T441-I458 HydrophobicContact CG2-CG2 3.97Å; T441-N461 PolarHBondContact O-N 2.97Å; T441-T462 PolarHBondContact N-O 3.26Å; T441-I524 HydrophobicContact CG2-CD1 4.37Å
442	P	77.9	Confident	85.4	Confident	9 Å²	9	39.9 Å²	39.9	6%	0.058	24%	0.236	C	C	.	.	S	Bend	trans	-74.9	-19.6	-175.9	29.4	-36	0	0	0	114	Y196 T267	Y196-P442 HydrophobicContact CD2-CB 4Å; Y196-P442 HydrophobicContact CE2-CB 4.39Å; T267-P442 HydrophobicContact CG2-CB 3.93Å
443	L	83.7	Confident	85.3	Confident	24 Å²	24	41.8 Å²	41.8	13%	0.126	25%	0.247	C	C	.	.	S	Bend	trans	-135.4	149.5	-175.7	-67.2	172.7	0	0	0	110.8	Y196 T441 Q488	Y196-L443 HydrophobicContact CE1-CD2 4.33Å; Y196-L443 HydrophobicContact CE2-CD2 4.23Å; Y196-L443 WeakPolarHBondContact OH-CD2 3.36Å; T441-L443 VanDerWaalsContact C-N 3.32Å; T441-L443 PolarHBondContact O-N 2.97Å; T441-L443 PolarHBondContact OG1-O 2.86Å; L443-Q488 HydrophobicContact CB-CG 3.45Å; L443-Q488 VanDerWaalsContact CB-CG 3.45Å; L443-Q488 HydrophobicContact CD1-CG 3.83Å; L443-Q488 HydrophobicContact CG-CG 4.3Å
444	S	89.3	Confident	85.5	Confident	1 Å²	1	37 Å²	37	1%	0.007	22%	0.217	C	C	.	.			trans	-68.3	143.6	175.5	-53.8	0	0	0	0	111.1	I458 R460 Q488 G489 E490	S444-I458 CarbonylContact C-O 3.58Å; S444-I458 VanDerWaalsContact CA-O 3.22Å; S444-I458 WeakPolarHBondContact CA-O 3.13Å; S444-I458 WeakPolarHBondContact CB-O 3.36Å; S444-R460 PolarHBondContact OG-N 3.13Å; S444-Q488 VanDerWaalsContact O-CA 3.31Å; S444-Q488 WeakPolarHBondContact O-CA 3.29Å; S444-G489 WeakPolarHBondContact CB-O 3.17Å; S444-G489 PolarHBondContact O-N 2.95Å; S444-E490 WeakPolarHBondContact CB-OE1 3.29Å; S444-E490 PolarHBondContact N-OE1 3.25Å; S444-E490 VanDerWaalsContact OG-CD 3.26Å; S444-E490 PolarHBondContact OG-OE1 2.9Å; S444-E490 PolarHBondContact OG-OE2 3.12Å
445	L	91.4	Very high	85.7	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.3	177.4	-69.9	161.5	0	0	0	109.5	L457 I458 Q488 L500 F522 I524 V530	L445-L457 PolarHBondContact O-N 3.3Å; L445-I458 HydrophobicContact CB-CB 4.39Å; L445-I458 PolarHBondContact N-O 3.31Å; L445-I458 PolarHBondContact O-N 3.32Å; L445-I458 VanDerWaalsContact O-N 3.07Å; L445-Q488 HydrophobicContact CD2-CB 3.91Å; L445-Q488 HydrophobicContact CD2-CG 4.01Å; L445-L500 HydrophobicContact CD2-CD1 3.57Å; L445-F522 HydrophobicContact CB-CD1 4.01Å; L445-F522 HydrophobicContact CB-CE1 3.98Å; L445-I524 HydrophobicContact CD1-CD1 3.44Å; L445-I524 VanDerWaalsContact CD1-CD1 3.44Å; L445-I524 HydrophobicContact CD1-CG1 4.15Å; L445-V530 HydrophobicContact CD1-CG1 4.23Å; L445-V530 HydrophobicContact CD1-CG2 3.62Å; L445-V530 HydrophobicContact CD2-CG2 4.29Å
446	G	92.8	Very high	86	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	-171	-175.1	0	0	0	0	0	112.9	F454 T455 C487	G446-F454 VanDerWaalsContact CA-CE2 3.4Å; G446-T455 CarbonylContact C-O 3.6Å; G446-T455 WeakPolarHBondContact CA-O 3.43Å; G446-C487 PolarHBondContact N-O 3.35Å; G446-C487 PolarHBondContact O-N 3.44Å
447	I	93.3	Very high	86.3	Confident	8 Å²	8	30.7 Å²	30.7	4%	0.041	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	154.5	179.6	64.5	174.6	0	0	0	112.4	T449 T455 L457 F472 I484 K485 V520 F522	I447-T449 HydrophobicContact CD1-CG2 4.4Å; I447-T449 HydrophobicContact CG1-CG2 4.08Å; I447-T455 PolarHBondContact N-O 3.01Å; I447-T455 PolarHBondContact O-N 2.89Å; I447-L457 HydrophobicContact CG1-CD1 4.19Å; I447-F472 HydrophobicContact CD1-CD1 4.18Å; I447-F472 HydrophobicContact CD1-CD2 3.86Å; I447-F472 HydrophobicContact CD1-CE1 3.89Å; I447-F472 HydrophobicContact CD1-CE2 3.54Å; I447-F472 HydrophobicContact CD1-CG 4.18Å; I447-F472 HydrophobicContact CD1-CZ 3.56Å; I447-F472 HydrophobicContact CG1-CE1 4.39Å; I447-F472 HydrophobicContact CG1-CE2 4.41Å; I447-F472 HydrophobicContact CG1-CZ 4.04Å; I447-I484 HydrophobicContact CB-CG2 4.46Å; I447-I484 HydrophobicContact CG2-CG2 3.8Å; I447-K485 CarbonylContact C-O 3.54Å; I447-K485 WeakPolarHBondContact CA-O 3.3Å; I447-K485 WeakPolarHBondContact CB-O 3.38Å; I447-V520 HydrophobicContact CD1-CG2 4.36Å; I447-V520 HydrophobicContact CG2-CG1 4.44Å; I447-F522 HydrophobicContact CG2-CE2 3.71Å; I447-F522 HydrophobicContact CG2-CZ 3.6Å
448	E	89.3	Confident	86.5	Confident	67 Å²	67	29.8 Å²	29.8	31%	0.313	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	128	164.7	-173.3	178.1	-174.2	0	0	109.7	G452 K485 A494	E448-G452 WeakPolarHBondContact OE1-CA 3.28Å; E448-K485 HydrophobicContact CB-CB 4.07Å; E448-K485 HydrophobicContact CB-CD 4.37Å; E448-K485 PolarHBondContact N-O 3.46Å; E448-K485 WeakPolarHBondContact OE2-CD 3.38Å; E448-K485 WeakPolarHBondContact OE2-CE 3.33Å; E448-K485 IonicContact OE2-NZ 2.86Å; E448-K485 PolarHBondContact OE2-NZ 2.92Å; E448-A494 HydrophobicContact CB-CB 3.74Å; E448-A494 HydrophobicContact CG-CB 3.7Å
449	T	83.6	Confident	86.6	Confident	35 Å²	35	31.8 Å²	31.8	22%	0.215	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	175.8	175.3	55.5	0	0	0	0	110.9	I447 G451 G452 V453 T455 F472	I447-T449 HydrophobicContact CD1-CG2 4.4Å; I447-T449 HydrophobicContact CG1-CG2 4.08Å; T449-G451 PolarHBondContact O-N 3.5Å; T449-G452 PolarHBondContact O-N 2.76Å; T449-V453 PolarHBondContact N-O 2.72Å; T449-V453 PolarHBondContact OG1-O 2.48Å; T449-T455 VanDerWaalsContact CG2-OG1 3.28Å; T449-T455 WeakPolarHBondContact CG2-OG1 3.43Å; T449-T455 PolarHBondContact OG1-OG1 2.95Å; T449-F472 HydrophobicContact CG2-CD1 4.18Å; T449-F472 HydrophobicContact CG2-CE1 3.79Å
450	L	76.6	Confident	86.7	Confident	145 Å²	145	34.2 Å²	34.2	76%	0.759	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	131.3	-178.8	-175.6	65.6	0	0	0	111.4	A475	L450-A475 HydrophobicContact CD1-CB 4Å
451	G	73.8	Confident	86.7	Confident	63 Å²	63	35.2 Å²	35.2	65%	0.649	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	88	7.3	-176.2	0	0	0	0	0	114.5	T449 V453	T449-G451 PolarHBondContact O-N 3.5Å; G451-V453 VanDerWaalsContact C-N 3.28Å; G451-V453 PolarHBondContact O-N 2.75Å
452	G	79.4	Confident	86.9	Confident	18 Å²	18	36.4 Å²	36.4	19%	0.186	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	15.6	178.2	0	0	0	0	0	113.7	E448 T449 M493 A494	E448-G452 WeakPolarHBondContact OE1-CA 3.28Å; T449-G452 PolarHBondContact O-N 2.76Å; G452-M493 WeakPolarHBondContact O-CE 3.35Å; G452-A494 WeakPolarHBondContact O-CB 3.43Å; G452-A494 PolarHBondContact O-N 3.31Å
453	V	82.3	Confident	87.6	Confident	59 Å²	59	38.5 Å²	38.5	36%	0.358	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	135.8	-177.6	-178.3	0	0	0	0	109.9	T449 G451 T455	T449-V453 PolarHBondContact N-O 2.72Å; T449-V453 PolarHBondContact OG1-O 2.48Å; G451-V453 VanDerWaalsContact C-N 3.28Å; G451-V453 PolarHBondContact O-N 2.75Å; V453-T455 PolarHBondContact O-N 3.45Å
454	F	87.9	Confident	87.7	Confident	7 Å²	7	38.1 Å²	38.1	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	108	174.4	-179.2	-125.4	0	0	0	110.4	G446 K456 C487 G489 R491 E492 A494 N497	G446-F454 VanDerWaalsContact CA-CE2 3.4Å; F454-K456 HydrophobicContact CD1-CG 3.95Å; F454-K456 HydrophobicContact CE1-CD 4.37Å; F454-K456 HydrophobicContact CE1-CG 3.58Å; F454-K456 HydrophobicContact CZ-CG 4.28Å; F454-C487 HydrophobicContact CD2-CB 3.9Å; F454-C487 HydrophobicContact CE2-CB 3.63Å; F454-C487 WeakPolarHBondContact CE2-O 3.27Å; F454-G489 VanDerWaalsContact CE1-O 3.24Å; F454-G489 WeakPolarHBondContact CE1-O 2.91Å; F454-R491 WeakPolarHBondContact CD1-O 3.1Å; F454-E492 WeakPolarHBondContact CB-O 3.5Å; F454-E492 PolarHBondContact N-O 3.35Å; F454-A494 HydrophobicContact CB-CB 4.33Å; F454-N497 WeakPolarHBondContact CD1-ND2 3.39Å; F454-N497 WeakPolarHBondContact CG-ND2 3.34Å
455	T	87.5	Confident	87.7	Confident	36 Å²	36	42.2 Å²	42.2	22%	0.221	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	113.2	175	-63.4	0	0	0	0	109.5	G446 I447 T449 V453 L457 F472	G446-T455 CarbonylContact C-O 3.6Å; G446-T455 WeakPolarHBondContact CA-O 3.43Å; I447-T455 PolarHBondContact N-O 3.01Å; I447-T455 PolarHBondContact O-N 2.89Å; T449-T455 VanDerWaalsContact CG2-OG1 3.28Å; T449-T455 WeakPolarHBondContact CG2-OG1 3.43Å; T449-T455 PolarHBondContact OG1-OG1 2.95Å; V453-T455 PolarHBondContact O-N 3.45Å; T455-L457 WeakPolarHBondContact O-CD1 3.41Å; T455-F472 HydrophobicContact CG2-CE1 4.18Å; T455-F472 HydrophobicContact CG2-CZ 4.2Å
456	K	90.9	Very high	87.8	Confident	60 Å²	60	43.5 Å²	43.5	26%	0.261	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	130.9	178.5	-60	177.4	-172.9	-174.6	0	110.4	F454 E490	F454-K456 HydrophobicContact CD1-CG 3.95Å; F454-K456 HydrophobicContact CE1-CD 4.37Å; F454-K456 HydrophobicContact CE1-CG 3.58Å; F454-K456 HydrophobicContact CZ-CG 4.28Å; K456-E490 IonicContact NZ-OE2 2.62Å; K456-E490 PolarHBondContact NZ-OE2 3.19Å
457	L	93.1	Very high	87.9	Confident	18 Å²	18	49.7 Å²	49.7	9%	0.094	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-37.2	172.6	-82.8	79.3	0	0	0	111.6	L445 I447 T455 Q470 F472 V520 F522	L445-L457 PolarHBondContact O-N 3.3Å; I447-L457 HydrophobicContact CG1-CD1 4.19Å; T455-L457 WeakPolarHBondContact O-CD1 3.41Å; L457-Q470 HydrophobicContact CD2-CB 4.03Å; L457-Q470 HydrophobicContact CG-CB 4.29Å; L457-F472 HydrophobicContact CD1-CE2 4.32Å; L457-F472 HydrophobicContact CD1-CZ 3.98Å; L457-F472 HydrophobicContact CD2-CE2 4.3Å; L457-V520 HydrophobicContact CD2-CG1 4.42Å; L457-F522 HydrophobicContact CB-CD2 4.15Å; L457-F522 HydrophobicContact CB-CE2 4.44Å; L457-F522 HydrophobicContact CB-CG 4.48Å; L457-F522 HydrophobicContact CD1-CE2 4.32Å; L457-F522 HydrophobicContact CD2-CD2 3.47Å; L457-F522 VanDerWaalsContact CD2-CD2 3.47Å; L457-F522 HydrophobicContact CD2-CE2 3.66Å; L457-F522 HydrophobicContact CD2-CG 4.47Å; L457-F522 HydrophobicContact CG-CD2 4.32Å; L457-F522 HydrophobicContact CG-CE2 4.37Å
458	I	93.6	Very high	88	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	119.7	173.5	-61.6	173.8	0	0	0	106.8	T441 S444 L445 T462 T466 K468 F522 I524	T441-I458 HydrophobicContact CG2-CG2 3.97Å; S444-I458 CarbonylContact C-O 3.58Å; S444-I458 VanDerWaalsContact CA-O 3.22Å; S444-I458 WeakPolarHBondContact CA-O 3.13Å; S444-I458 WeakPolarHBondContact CB-O 3.36Å; L445-I458 HydrophobicContact CB-CB 4.39Å; L445-I458 PolarHBondContact N-O 3.31Å; L445-I458 PolarHBondContact O-N 3.32Å; L445-I458 VanDerWaalsContact O-N 3.07Å; I458-T462 HydrophobicContact CG2-CG2 4.08Å; I458-T466 HydrophobicContact CD1-CG2 4.05Å; I458-T466 HydrophobicContact CG2-CG2 4.32Å; I458-K468 HydrophobicContact CD1-CB 4.37Å; I458-K468 HydrophobicContact CD1-CG 4.38Å; I458-K468 HydrophobicContact CG1-CB 3.85Å; I458-K468 HydrophobicContact CG1-CG 3.7Å; I458-F522 HydrophobicContact CD1-CB 3.57Å; I458-F522 HydrophobicContact CG1-CB 4.25Å; I458-I524 HydrophobicContact CD1-CD1 3.56Å; I458-I524 HydrophobicContact CD1-CG1 3.75Å; I458-I524 HydrophobicContact CG2-CD1 3.99Å
459	N	91	Very high	88.2	Confident	94 Å²	94	54.3 Å²	54.3	50%	0.503	31%	0.308	S	S	.	.			trans	-75.9	153.2	176.9	-65.8	-43.4	0	0	0	110.3	T462	N459-T462 WeakPolarHBondContact O-CB 3.48Å; N459-T462 PolarHBondContact O-N 3.02Å; N459-T462 PolarHBondContact O-OG1 3.49Å
460	R	89	Confident	88.6	Confident	61 Å²	61	56.5 Å²	56.5	23%	0.23	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	154.9	165.8	66.8	176.3	-171.2	172.1	9.1	111.1	D372 S444 T462 E490	D372-R460 IonicContact OD1-CZ 3.35Å; D372-R460 IonicContact OD1-NE 3.93Å; D372-R460 IonicContact OD1-NH2 3.86Å; D372-R460 PolarHBondContact OD1-NH2 3.34Å; D372-R460 IonicContact OD2-CZ 3.58Å; D372-R460 IonicContact OD2-NE 3.99Å; D372-R460 IonicContact OD2-NH1 2.75Å; D372-R460 IonicContact OD2-NH2 3.71Å; D372-R460 PolarHBondContact OD2-NH2 2.83Å; S444-R460 PolarHBondContact OG-N 3.13Å; R460-T462 PolarHBondContact O-N 2.97Å; R460-E490 WeakPolarHBondContact CD-OE1 3.44Å
461	N	88.9	Confident	89.4	Confident	23 Å²	23	52.8 Å²	52.8	12%	0.123	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.3	11.4	-175.3	-53.3	-44.2	0	0	0	114.7	S266 T267 D372 V440 T441 T463	S266-N461 WeakPolarHBondContact CA-OD1 3.4Å; T267-N461 PolarHBondContact N-OD1 3.16Å; D372-N461 WeakPolarHBondContact CB-ND2 3.41Å; V440-N461 VanDerWaalsContact CG1-O 3.29Å; V440-N461 WeakPolarHBondContact CG1-O 3.4Å; T441-N461 PolarHBondContact O-N 2.97Å; N461-T463 PolarHBondContact O-N 3.32Å
462	T	90.7	Very high	90.2	Very high	35 Å²	35	51.7 Å²	51.7	22%	0.215	28%	0.277	C	S	.	.			trans	-69.9	128.2	169.1	-57.2	0	0	0	0	109.3	V440 T441 I458 N459 R460 T466	V440-T462 VanDerWaalsContact CA-O 3.29Å; V440-T462 WeakPolarHBondContact CA-O 3.43Å; T441-T462 PolarHBondContact N-O 3.26Å; I458-T462 HydrophobicContact CG2-CG2 4.08Å; N459-T462 WeakPolarHBondContact O-CB 3.48Å; N459-T462 PolarHBondContact O-N 3.02Å; N459-T462 PolarHBondContact O-OG1 3.49Å; R460-T462 PolarHBondContact O-N 2.97Å; T462-T466 HydrophobicContact CG2-CG2 3.9Å
463	T	90.7	Very high	90.6	Very high	53 Å²	53	53.1 Å²	53.1	33%	0.325	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	137.4	175.4	-47.6	0	0	0	0	111.4	L438 D439 N461 T466	L438-T463 HydrophobicContact CB-CG2 3.97Å; D439-T463 CarbonylContact O-C 3.57Å; D439-T463 VanDerWaalsContact O-CA 3.27Å; D439-T463 WeakPolarHBondContact O-CA 3.47Å; N461-T463 PolarHBondContact O-N 3.32Å; T463-T466 VanDerWaalsContact O-CB 3.27Å; T463-T466 WeakPolarHBondContact O-CB 3.24Å
464	I	87.8	Confident	90.8	Very high	16 Å²	16	50.7 Å²	50.7	8%	0.082	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	145.7	177.5	58.8	169.1	0	0	0	110.9	D439 T466 I524	D439-I464 HydrophobicContact CB-CD1 4.42Å; D439-I464 HydrophobicContact CB-CG1 4.16Å; D439-I464 WeakPolarHBondContact O-CG1 3.45Å; D439-I464 PolarHBondContact O-N 2.97Å; I464-T466 HydrophobicContact CG2-CG2 4.29Å; I464-I524 HydrophobicContact CB-CG2 4.35Å; I464-I524 HydrophobicContact CG2-CB 4.08Å; I464-I524 HydrophobicContact CG2-CD1 4.26Å; I464-I524 HydrophobicContact CG2-CG2 3.73Å
465	P	89.1	Confident	90.5	Very high	87 Å²	87	52.8 Å²	52.8	57%	0.565	29%	0.288	S	S	*	.	S	Bend	cis	-71.4	151	2.8	30	-35.7	0	0	0	113.9	I524	P465-I524 CarbonylContact C-O 3.56Å; P465-I524 WeakPolarHBondContact CA-O 3.31Å; P465-I524 WeakPolarHBondContact CB-O 3.39Å
466	T	92.8	Very high	90.2	Very high	28 Å²	28	53.5 Å²	53.5	17%	0.172	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	154.2	-179	-165.5	0	0	0	0	113	I458 T462 T463 I464 D523 I524	I458-T466 HydrophobicContact CD1-CG2 4.05Å; I458-T466 HydrophobicContact CG2-CG2 4.32Å; T462-T466 HydrophobicContact CG2-CG2 3.9Å; T463-T466 VanDerWaalsContact O-CB 3.27Å; T463-T466 WeakPolarHBondContact O-CB 3.24Å; I464-T466 HydrophobicContact CG2-CG2 4.29Å; T466-D523 WeakPolarHBondContact O-CA 3.49Å; T466-I524 HydrophobicContact CG2-CB 4.29Å; T466-I524 HydrophobicContact CG2-CD1 4.05Å; T466-I524 HydrophobicContact CG2-CG1 4.27Å; T466-I524 PolarHBondContact N-O 2.97Å; T466-I524 PolarHBondContact O-N 3.21Å
467	K	94.6	Very high	90.1	Very high	129 Å²	129	56.2 Å²	56.2	56%	0.561	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.6	131.5	179.4	-172.5	171.1	-175.4	163.9	0	111.3	T521 F522 D523	K467-T521 HydrophobicContact CD-CG2 4.31Å; K467-T521 HydrophobicContact CG-CG2 3.96Å; K467-F522 CarbonylContact C-O 3.54Å; K467-F522 VanDerWaalsContact CA-O 3.3Å; K467-F522 WeakPolarHBondContact CA-O 3.36Å; K467-D523 HydrophobicContact CD-CB 4.43Å; K467-D523 HydrophobicContact CG-CB 4.21Å
468	K	95.2	Very high	89.8	Confident	106 Å²	106	57.1 Å²	57.1	46%	0.461	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	138.3	176.9	-67.5	-65	-176.5	179.1	0	110.6	I458 T521 F522	I458-K468 HydrophobicContact CD1-CB 4.37Å; I458-K468 HydrophobicContact CD1-CG 4.38Å; I458-K468 HydrophobicContact CG1-CB 3.85Å; I458-K468 HydrophobicContact CG1-CG 3.7Å; K468-T521 CarbonylContact O-C 3.44Å; K468-T521 WeakPolarHBondContact O-CA 3.44Å; K468-F522 PolarHBondContact N-O 3.42Å; K468-F522 PolarHBondContact O-N 2.92Å
469	S	94.6	Very high	89.6	Confident	66 Å²	66	59.3 Å²	59.3	46%	0.462	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	140.7	177	-55.4	0	0	0	0	110.1	V520 T521	S469-V520 CarbonylContact C-O 3.58Å; S469-V520 VanDerWaalsContact CA-O 3.28Å; S469-V520 WeakPolarHBondContact CA-O 3.49Å; S469-T521 WeakPolarHBondContact CB-OG1 3.48Å; S469-T521 WeakPolarHBondContact OG-CB 3.39Å; S469-T521 VanDerWaalsContact OG-CG2 3.31Å; S469-T521 WeakPolarHBondContact OG-CG2 3.19Å; S469-T521 PolarHBondContact OG-OG1 2.83Å
470	Q	92.1	Very high	89.5	Confident	81 Å²	81	57.9 Å²	57.9	38%	0.379	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	141.1	175.5	-176.8	169.5	-26.1	0	0	110.4	L457 F472 V520	L457-Q470 HydrophobicContact CD2-CB 4.03Å; L457-Q470 HydrophobicContact CG-CB 4.29Å; Q470-F472 HydrophobicContact CB-CE2 3.82Å; Q470-F472 HydrophobicContact CB-CZ 4.23Å; Q470-F472 HydrophobicContact CG-CE2 3.84Å; Q470-F472 HydrophobicContact CG-CZ 3.89Å; Q470-F472 WeakPolarHBondContact O-CD2 3.21Å; Q470-V520 PolarHBondContact N-O 3.14Å; Q470-V520 PolarHBondContact O-N 3.04Å
471	V	92.4	Very high	89.6	Confident	68 Å²	68	60 Å²	60	41%	0.412	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.8	179.7	-177.5	0	0	0	0	109.8	Q517 E519 K537	V471-Q517 HydrophobicContact CG1-CB 3.92Å; V471-Q517 HydrophobicContact CG1-CG 4.3Å; V471-E519 HydrophobicContact CG2-CB 4.28Å; V471-E519 HydrophobicContact CG2-CG 4.32Å; V471-K537 HydrophobicContact CG2-CD 4.27Å
472	F	90.4	Very high	89.6	Confident	40 Å²	40	59.8 Å²	59.8	18%	0.175	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	178.2	172.8	-63.1	-88	0	0	0	110	I447 T449 T455 L457 Q470 I518 V520	I447-F472 HydrophobicContact CD1-CD1 4.18Å; I447-F472 HydrophobicContact CD1-CD2 3.86Å; I447-F472 HydrophobicContact CD1-CE1 3.89Å; I447-F472 HydrophobicContact CD1-CE2 3.54Å; I447-F472 HydrophobicContact CD1-CG 4.18Å; I447-F472 HydrophobicContact CD1-CZ 3.56Å; I447-F472 HydrophobicContact CG1-CE1 4.39Å; I447-F472 HydrophobicContact CG1-CE2 4.41Å; I447-F472 HydrophobicContact CG1-CZ 4.04Å; T449-F472 HydrophobicContact CG2-CD1 4.18Å; T449-F472 HydrophobicContact CG2-CE1 3.79Å; T455-F472 HydrophobicContact CG2-CE1 4.18Å; T455-F472 HydrophobicContact CG2-CZ 4.2Å; L457-F472 HydrophobicContact CD1-CE2 4.32Å; L457-F472 HydrophobicContact CD1-CZ 3.98Å; L457-F472 HydrophobicContact CD2-CE2 4.3Å; Q470-F472 HydrophobicContact CB-CE2 3.82Å; Q470-F472 HydrophobicContact CB-CZ 4.23Å; Q470-F472 HydrophobicContact CG-CE2 3.84Å; Q470-F472 HydrophobicContact CG-CZ 3.89Å; Q470-F472 WeakPolarHBondContact O-CD2 3.21Å; F472-I518 PolarHBondContact N-O 3.31Å; F472-I518 PolarHBondContact O-N 3.07Å; F472-V520 HydrophobicContact CD2-CB 4.03Å; F472-V520 HydrophobicContact CD2-CG2 3.72Å; F472-V520 HydrophobicContact CE2-CB 4.08Å; F472-V520 HydrophobicContact CE2-CG2 4.21Å
473	S	87.8	Confident	89.6	Confident	47 Å²	47	62.5 Å²	62.5	33%	0.329	36%	0.356	S	S	.	.			trans	-143.7	174.6	177	-163.2	0	0	0	0	112	G514 V515 P516	S473-G514 WeakPolarHBondContact OG-CA 3.14Å; S473-G514 PolarHBondContact OG-N 3.22Å; S473-G514 PolarHBondContact OG-O 2.9Å; S473-V515 PolarHBondContact OG-N 2.98Å; S473-P516 WeakPolarHBondContact CA-O 3.37Å; S473-P516 VanDerWaalsContact CB-O 3.22Å; S473-P516 WeakPolarHBondContact CB-O 3.39Å; S473-P516 PolarHBondContact OG-O 3.37Å
474	T	86.1	Confident	89.6	Confident	9 Å²	9	60.2 Å²	60.2	6%	0.055	34%	0.341	C	S	.	.			trans	-68.6	146.6	177.1	50.9	0	0	0	0	111.9	Q479 V482 G514 P516	T474-Q479 VanDerWaalsContact CB-OE1 3.31Å; T474-Q479 HydrophobicContact CG2-CB 3.87Å; T474-Q479 HydrophobicContact CG2-CG 3.92Å; T474-V482 HydrophobicContact CG2-CG2 3.89Å; T474-G514 PolarHBondContact O-N 3.42Å; T474-P516 HydrophobicContact CG2-CB 4.03Å; T474-P516 HydrophobicContact CG2-CG 3.75Å; T474-P516 WeakPolarHBondContact OG1-CD 3.25Å
475	A	81.3	Confident	89.8	Confident	50 Å²	50	62 Å²	62	41%	0.413	35%	0.349	S	S	.	.	S	Bend	trans	-89.1	-18.7	-179.6	0	0	0	0	0	113.3	L450	L450-A475 HydrophobicContact CD1-CB 4Å
476	A	83.2	Confident	89.9	Confident	51 Å²	51	57.9 Å²	57.9	42%	0.421	32%	0.322	S	S	.	.	S	Bend	trans	-135.3	153.8	-178.1	0	0	0	0	0	112.6	Q479	A476-Q479 VanDerWaalsContact O-CB 3.25Å; A476-Q479 WeakPolarHBondContact O-CB 3.36Å; A476-Q479 PolarHBondContact O-N 3.36Å
477	D	86.8	Confident	89.6	Confident	117 Å²	117	56.7 Å²	56.7	63%	0.626	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	136.6	176.3	-66	-21.2	0	0	0	110.6	Q479 R513	D477-Q479 PolarHBondContact O-N 3.08Å; D477-R513 WeakPolarHBondContact OD1-CB 3.48Å; D477-R513 WeakPolarHBondContact OD1-CG 3.41Å; D477-R513 PolarHBondContact OD1-N 3.05Å
478	G	87.8	Confident	89.2	Confident	37 Å²	37	51.1 Å²	51.1	38%	0.381	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	10.3	179.5	0	0	0	0	0	114.6	T480 A511	G478-T480 WeakPolarHBondContact O-CG2 3.49Å; G478-T480 PolarHBondContact O-N 2.59Å; G478-A511 PolarHBondContact N-O 3.29Å
479	Q	88.8	Confident	88.7	Confident	47 Å²	47	46.4 Å²	46.4	22%	0.22	27%	0.272	C	S	.	.			trans	-62.5	117.4	178.7	179.3	174.7	0.8	0	0	111.3	T474 A476 D477 Q481	T474-Q479 VanDerWaalsContact CB-OE1 3.31Å; T474-Q479 HydrophobicContact CG2-CB 3.87Å; T474-Q479 HydrophobicContact CG2-CG 3.92Å; A476-Q479 VanDerWaalsContact O-CB 3.25Å; A476-Q479 WeakPolarHBondContact O-CB 3.36Å; A476-Q479 PolarHBondContact O-N 3.36Å; D477-Q479 PolarHBondContact O-N 3.08Å; Q479-Q481 WeakPolarHBondContact CG-O 3.5Å; Q479-Q481 PolarHBondContact NE2-O 2.91Å
480	T	90.3	Very high	88.2	Confident	65 Å²	65	46 Å²	46	40%	0.399	26%	0.263	S	S	.	.			trans	-99.2	-2.5	-176.4	56.6	0	0	0	0	114.5	G478 G507 I508 P510	G478-T480 WeakPolarHBondContact O-CG2 3.49Å; G478-T480 PolarHBondContact O-N 2.59Å; T480-G507 PolarHBondContact O-N 2.83Å; T480-I508 VanDerWaalsContact CA-O 3.27Å; T480-I508 WeakPolarHBondContact CA-O 3.46Å; T480-I508 WeakPolarHBondContact CB-O 3.25Å; T480-I508 PolarHBondContact O-N 3.04Å; T480-P510 HydrophobicContact CG2-CG 3.92Å
481	Q	90.9	Very high	87.6	Confident	106 Å²	106	48.9 Å²	48.9	50%	0.495	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	147.4	177	64.9	179.8	57.4	0	0	111.4	Q479 T504 L505 I506	Q479-Q481 WeakPolarHBondContact CG-O 3.5Å; Q479-Q481 PolarHBondContact NE2-O 2.91Å; Q481-T504 HydrophobicContact CB-CG2 3.89Å; Q481-T504 HydrophobicContact CG-CG2 4.29Å; Q481-L505 CarbonylContact C-O 3.58Å; Q481-L505 WeakPolarHBondContact CA-O 3.4Å; Q481-I506 HydrophobicContact CB-CG2 4.11Å
482	V	88.6	Confident	87.1	Confident	18 Å²	18	52.1 Å²	52.1	11%	0.109	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.9	175.4	172.6	0	0	0	0	108.9	T474 I484 T504 L505 I508 I518	T474-V482 HydrophobicContact CG2-CG2 3.89Å; V482-I484 HydrophobicContact CG1-CG1 4.11Å; V482-T504 WeakPolarHBondContact O-CA 3.46Å; V482-L505 PolarHBondContact N-O 3.32Å; V482-L505 PolarHBondContact O-N 3.04Å; V482-I508 HydrophobicContact CB-CD1 4.05Å; V482-I508 HydrophobicContact CG2-CD1 3.49Å; V482-I508 VanDerWaalsContact CG2-CD1 3.49Å; V482-I518 HydrophobicContact CG2-CG1 4.32Å
483	E	90.2	Very high	86.8	Confident	91 Å²	91	54.2 Å²	54.2	43%	0.425	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	130	171	-174.3	-179.7	-138.9	0	0	109	K485 Q502	E483-K485 HydrophobicContact CG-CG 4.38Å; E483-K485 WeakPolarHBondContact OE2-CE 3.35Å; E483-Q502 PolarHBondContact OE1-NE2 3.5Å
484	I	91.5	Very high	86.5	Confident	5 Å²	5	52.2 Å²	52.2	3%	0.026	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	117.5	177.9	-62.3	178.7	0	0	0	107.6	I447 V482 V486 Q502 F503 V520 A534	I447-I484 HydrophobicContact CB-CG2 4.46Å; I447-I484 HydrophobicContact CG2-CG2 3.8Å; V482-I484 HydrophobicContact CG1-CG1 4.11Å; I484-V486 HydrophobicContact CG2-CG2 4.32Å; I484-Q502 CarbonylContact O-C 3.54Å; I484-Q502 WeakPolarHBondContact O-CA 3.38Å; I484-F503 HydrophobicContact CB-CD1 4.27Å; I484-F503 HydrophobicContact CB-CE1 3.89Å; I484-F503 HydrophobicContact CB-CE2 4.36Å; I484-F503 HydrophobicContact CB-CZ 3.95Å; I484-F503 HydrophobicContact CD1-CE2 3.98Å; I484-F503 HydrophobicContact CD1-CZ 3.87Å; I484-F503 HydrophobicContact CG1-CZ 4.49Å; I484-F503 HydrophobicContact CG2-CD1 4.46Å; I484-F503 HydrophobicContact CG2-CE1 3.72Å; I484-F503 HydrophobicContact CG2-CZ 3.92Å; I484-F503 PolarHBondContact N-O 2.82Å; I484-F503 PolarHBondContact O-N 2.8Å; I484-V520 HydrophobicContact CD1-CG2 3.68Å; I484-A534 HydrophobicContact CD1-CB 3.14Å
485	K	90.6	Very high	86.2	Confident	54 Å²	54	55.4 Å²	55.4	24%	0.235	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.3	175	-68.3	164.8	178.7	-178.6	0	109	I447 E448 E483 L499 Q502	I447-K485 CarbonylContact C-O 3.54Å; I447-K485 WeakPolarHBondContact CA-O 3.3Å; I447-K485 WeakPolarHBondContact CB-O 3.38Å; E448-K485 HydrophobicContact CB-CB 4.07Å; E448-K485 HydrophobicContact CB-CD 4.37Å; E448-K485 PolarHBondContact N-O 3.46Å; E448-K485 WeakPolarHBondContact OE2-CD 3.38Å; E448-K485 WeakPolarHBondContact OE2-CE 3.33Å; E448-K485 IonicContact OE2-NZ 2.86Å; E448-K485 PolarHBondContact OE2-NZ 2.92Å; E483-K485 HydrophobicContact CG-CG 4.38Å; E483-K485 WeakPolarHBondContact OE2-CE 3.35Å; K485-L499 HydrophobicContact CB-CD1 3.93Å; K485-L499 HydrophobicContact CG-CD1 4.43Å; K485-Q502 HydrophobicContact CB-CB 4.45Å; K485-Q502 HydrophobicContact CG-CB 3.79Å
486	V	91.1	Very high	86	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	123.8	-176.6	-179.3	0	0	0	0	108.7	I484 L500 G501 F503 F522 V532 I547	I484-V486 HydrophobicContact CG2-CG2 4.32Å; V486-L500 HydrophobicContact CG1-CB 4.34Å; V486-L500 HydrophobicContact CG1-CD1 4.34Å; V486-L500 PolarHBondContact O-N 3.11Å; V486-G501 PolarHBondContact N-O 3.08Å; V486-G501 PolarHBondContact O-N 2.99Å; V486-F503 HydrophobicContact CG2-CE1 4.24Å; V486-F522 HydrophobicContact CG1-CE1 3.68Å; V486-F522 HydrophobicContact CG1-CZ 3.88Å; V486-F522 HydrophobicContact CG2-CZ 4.3Å; V486-V532 HydrophobicContact CG1-CG2 4.09Å; V486-V532 HydrophobicContact CG2-CB 4.16Å; V486-V532 HydrophobicContact CG2-CG1 3.93Å; V486-V532 HydrophobicContact CG2-CG2 3.98Å; V486-I547 HydrophobicContact CB-CD1 4.09Å; V486-I547 HydrophobicContact CG1-CD1 4.24Å; V486-I547 HydrophobicContact CG1-CG1 4.3Å; V486-I547 HydrophobicContact CG2-CD1 4.15Å
487	C	87.9	Confident	85.8	Confident	4 Å²	4	55.8 Å²	55.8	3%	0.027	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	156	-179.2	-59.9	0	0	0	0	112	G446 F454 N497 K498	G446-C487 PolarHBondContact N-O 3.35Å; G446-C487 PolarHBondContact O-N 3.44Å; F454-C487 HydrophobicContact CD2-CB 3.9Å; F454-C487 HydrophobicContact CE2-CB 3.63Å; F454-C487 WeakPolarHBondContact CE2-O 3.27Å; C487-N497 HydrophobicContact CB-CB 4.21Å; C487-K498 CarbonylContact C-O 3.49Å; C487-K498 VanDerWaalsContact CA-O 3.23Å; C487-K498 WeakPolarHBondContact CA-O 3.31Å
488	Q	85	Confident	85.5	Confident	12 Å²	12	54.4 Å²	54.4	6%	0.056	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	130.2	174.3	-174.8	178.8	55.2	0	0	110.7	L443 S444 L445 K498 L500	L443-Q488 HydrophobicContact CB-CG 3.45Å; L443-Q488 VanDerWaalsContact CB-CG 3.45Å; L443-Q488 HydrophobicContact CD1-CG 3.83Å; L443-Q488 HydrophobicContact CG-CG 4.3Å; S444-Q488 VanDerWaalsContact O-CA 3.31Å; S444-Q488 WeakPolarHBondContact O-CA 3.29Å; L445-Q488 HydrophobicContact CD2-CB 3.91Å; L445-Q488 HydrophobicContact CD2-CG 4.01Å; Q488-K498 PolarHBondContact N-O 3.02Å; Q488-K498 PolarHBondContact O-N 3.29Å; Q488-L500 HydrophobicContact CB-CD1 3.86Å; Q488-L500 HydrophobicContact CB-CD2 4.04Å; Q488-L500 HydrophobicContact CB-CG 3.97Å
489	G	84.7	Confident	85.3	Confident	7 Å²	7	56.6 Å²	56.6	7%	0.072	29%	0.292	C	S	.	.	S	Bend	trans	151.6	-170.9	176.1	0	0	0	0	0	113.6	S444 F454 N497	S444-G489 WeakPolarHBondContact CB-O 3.17Å; S444-G489 PolarHBondContact O-N 2.95Å; F454-G489 VanDerWaalsContact CE1-O 3.24Å; F454-G489 WeakPolarHBondContact CE1-O 2.91Å; G489-N497 VanDerWaalsContact C-OD1 3.25Å; G489-N497 VanDerWaalsContact CA-OD1 3.24Å; G489-N497 WeakPolarHBondContact CA-OD1 3.41Å
490	E	84.1	Confident	85	Confident	57 Å²	57	56.2 Å²	56.2	27%	0.266	29%	0.292	S	S	.	.	S	Bend	trans	-119.5	0.6	-174.1	-63.3	-54.3	142.3	0	0	114.1	S444 K456 R460 N497	S444-E490 WeakPolarHBondContact CB-OE1 3.29Å; S444-E490 PolarHBondContact N-OE1 3.25Å; S444-E490 VanDerWaalsContact OG-CD 3.26Å; S444-E490 PolarHBondContact OG-OE1 2.9Å; S444-E490 PolarHBondContact OG-OE2 3.12Å; K456-E490 IonicContact NZ-OE2 2.62Å; K456-E490 PolarHBondContact NZ-OE2 3.19Å; R460-E490 WeakPolarHBondContact CD-OE1 3.44Å; E490-N497 PolarHBondContact N-OD1 3.32Å; E490-N497 VanDerWaalsContact N-OD1 3.12Å
491	R	81.1	Confident	84.8	Confident	142 Å²	142	53.9 Å²	53.9	54%	0.536	28%	0.28	S	S	.	.			trans	-80.3	149	-179	-57.5	-74.9	-69.2	-96.1	-10.5	110.1	F454 M493 D496 N497	F454-R491 WeakPolarHBondContact CD1-O 3.1Å; R491-M493 VanDerWaalsContact C-N 3.34Å; R491-M493 PolarHBondContact O-N 3.18Å; R491-D496 HydrophobicContact CB-CB 3.68Å; R491-D496 HydrophobicContact CG-CB 3.92Å; R491-D496 IonicContact CZ-OD2 2.83Å; R491-D496 IonicContact NE-OD2 3.8Å; R491-D496 IonicContact NH2-OD1 3.83Å; R491-D496 IonicContact NH2-OD2 3.23Å; R491-D496 PolarHBondContact NH2-OD2 3.36Å; R491-N497 WeakPolarHBondContact CB-OD1 3.41Å; R491-N497 PolarHBondContact N-OD1 3.4Å; R491-N497 PolarHBondContact O-ND2 2.81Å
492	E	80.4	Confident	84.7	Confident	135 Å²	135	53.4 Å²	53.4	63%	0.631	28%	0.278	S	S	*	.	S	Bend	trans	-69.9	-29.5	-178.6	-62.6	-60.3	148.6	0	0	113.3	F454	F454-E492 WeakPolarHBondContact CB-O 3.5Å; F454-E492 PolarHBondContact N-O 3.35Å
493	M	84.1	Confident	84.8	Confident	85 Å²	85	53.3 Å²	53.3	42%	0.419	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-96.4	134.1	-179.9	-58	-52.7	-64.5	0	0	110.7	G452 R491 G495 D496 N497	G452-M493 WeakPolarHBondContact O-CE 3.35Å; R491-M493 VanDerWaalsContact C-N 3.34Å; R491-M493 PolarHBondContact O-N 3.18Å; M493-G495 VanDerWaalsContact C-N 3.29Å; M493-G495 PolarHBondContact O-N 3.49Å; M493-D496 PolarHBondContact O-N 3.48Å; M493-D496 VanDerWaalsContact O-N 3.15Å; M493-N497 PolarHBondContact O-ND2 2.95Å
494	A	82.6	Confident	84.8	Confident	4 Å²	4	51.2 Å²	51.2	3%	0.033	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-61.7	-36.3	-176.9	0	0	0	0	0	112.8	E448 G452 F454 D496 N497	E448-A494 HydrophobicContact CB-CB 3.74Å; E448-A494 HydrophobicContact CG-CB 3.7Å; G452-A494 WeakPolarHBondContact O-CB 3.43Å; G452-A494 PolarHBondContact O-N 3.31Å; F454-A494 HydrophobicContact CB-CB 4.33Å; A494-D496 PolarHBondContact O-N 3.24Å; A494-N497 PolarHBondContact O-N 2.84Å; A494-N497 VanDerWaalsContact O-N 3.14Å
495	G	78.6	Confident	84.8	Confident	76 Å²	76	51.1 Å²	51.1	78%	0.784	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-68	-17.7	178.6	0	0	0	0	0	115	M493	M493-G495 VanDerWaalsContact C-N 3.29Å; M493-G495 PolarHBondContact O-N 3.49Å
496	D	78.1	Confident	84.8	Confident	90 Å²	90	53.7 Å²	53.7	48%	0.481	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-89.9	-5.4	175.7	-72.1	-15.3	0	0	0	112.6	R491 M493 A494	R491-D496 HydrophobicContact CB-CB 3.68Å; R491-D496 HydrophobicContact CG-CB 3.92Å; R491-D496 IonicContact CZ-OD2 2.83Å; R491-D496 IonicContact NE-OD2 3.8Å; R491-D496 IonicContact NH2-OD1 3.83Å; R491-D496 IonicContact NH2-OD2 3.23Å; R491-D496 PolarHBondContact NH2-OD2 3.36Å; M493-D496 PolarHBondContact O-N 3.48Å; M493-D496 VanDerWaalsContact O-N 3.15Å; A494-D496 PolarHBondContact O-N 3.24Å
497	N	79.6	Confident	84.6	Confident	19 Å²	19	55.1 Å²	55.1	10%	0.102	30%	0.299	C	S	.	.	S	Bend	trans	-105	166.6	179	-67.4	-60.8	0	0	0	110.7	F454 C487 G489 E490 R491 M493 A494 L499	F454-N497 WeakPolarHBondContact CD1-ND2 3.39Å; F454-N497 WeakPolarHBondContact CG-ND2 3.34Å; C487-N497 HydrophobicContact CB-CB 4.21Å; G489-N497 VanDerWaalsContact C-OD1 3.25Å; G489-N497 VanDerWaalsContact CA-OD1 3.24Å; G489-N497 WeakPolarHBondContact CA-OD1 3.41Å; E490-N497 PolarHBondContact N-OD1 3.32Å; E490-N497 VanDerWaalsContact N-OD1 3.12Å; R491-N497 WeakPolarHBondContact CB-OD1 3.41Å; R491-N497 PolarHBondContact N-OD1 3.4Å; R491-N497 PolarHBondContact O-ND2 2.81Å; M493-N497 PolarHBondContact O-ND2 2.95Å; A494-N497 PolarHBondContact O-N 2.84Å; A494-N497 VanDerWaalsContact O-N 3.14Å; N497-L499 PolarHBondContact O-N 3.47Å
498	K	80.1	Confident	84.7	Confident	88 Å²	88	55.1 Å²	55.1	38%	0.383	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	114.9	178.6	-175.7	67.8	174.4	-169.5	0	109.6	C487 Q488 L500	C487-K498 CarbonylContact C-O 3.49Å; C487-K498 VanDerWaalsContact CA-O 3.23Å; C487-K498 WeakPolarHBondContact CA-O 3.31Å; Q488-K498 PolarHBondContact N-O 3.02Å; Q488-K498 PolarHBondContact O-N 3.29Å; K498-L500 HydrophobicContact CG-CD2 4.14Å; K498-L500 PolarHBondContact O-N 3.26Å
499	L	84.3	Confident	84.9	Confident	84 Å²	84	57.7 Å²	57.7	44%	0.44	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	125	166.7	-178.1	69.7	0	0	0	109.3	K485 N497	K485-L499 HydrophobicContact CB-CD1 3.93Å; K485-L499 HydrophobicContact CG-CD1 4.43Å; N497-L499 PolarHBondContact O-N 3.47Å
500	L	81.7	Confident	85.2	Confident	39 Å²	39	62.3 Å²	62.3	20%	0.204	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-36.3	177.1	-60.8	-172.9	0	0	0	112.2	L445 V486 Q488 K498 I547	L445-L500 HydrophobicContact CD2-CD1 3.57Å; V486-L500 HydrophobicContact CG1-CB 4.34Å; V486-L500 HydrophobicContact CG1-CD1 4.34Å; V486-L500 PolarHBondContact O-N 3.11Å; Q488-L500 HydrophobicContact CB-CD1 3.86Å; Q488-L500 HydrophobicContact CB-CD2 4.04Å; Q488-L500 HydrophobicContact CB-CG 3.97Å; K498-L500 HydrophobicContact CG-CD2 4.14Å; K498-L500 PolarHBondContact O-N 3.26Å; L500-I547 HydrophobicContact CB-CG2 3.75Å; L500-I547 HydrophobicContact CD1-CG2 4.15Å
501	G	84.9	Confident	85.5	Confident	16 Å²	16	60.7 Å²	60.7	17%	0.165	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.2	169.6	-179.4	0	0	0	0	0	112.4	V486	V486-G501 PolarHBondContact N-O 3.08Å; V486-G501 PolarHBondContact O-N 2.99Å
502	Q	89.4	Confident	86	Confident	96 Å²	96	57.9 Å²	57.9	45%	0.449	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	148.9	176.4	62.4	174.8	62.1	0	0	112.1	E483 I484 K485	E483-Q502 PolarHBondContact OE1-NE2 3.5Å; I484-Q502 CarbonylContact O-C 3.54Å; I484-Q502 WeakPolarHBondContact O-CA 3.38Å; K485-Q502 HydrophobicContact CB-CB 4.45Å; K485-Q502 HydrophobicContact CG-CB 3.79Å
503	F	90.3	Very high	86.3	Confident	15 Å²	15	59.6 Å²	59.6	7%	0.066	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	157.7	176.4	64.2	-78.8	0	0	0	110.8	I484 V486 V532 A534 Q543 I545	I484-F503 HydrophobicContact CB-CD1 4.27Å; I484-F503 HydrophobicContact CB-CE1 3.89Å; I484-F503 HydrophobicContact CB-CE2 4.36Å; I484-F503 HydrophobicContact CB-CZ 3.95Å; I484-F503 HydrophobicContact CD1-CE2 3.98Å; I484-F503 HydrophobicContact CD1-CZ 3.87Å; I484-F503 HydrophobicContact CG1-CZ 4.49Å; I484-F503 HydrophobicContact CG2-CD1 4.46Å; I484-F503 HydrophobicContact CG2-CE1 3.72Å; I484-F503 HydrophobicContact CG2-CZ 3.92Å; I484-F503 PolarHBondContact N-O 2.82Å; I484-F503 PolarHBondContact O-N 2.8Å; V486-F503 HydrophobicContact CG2-CE1 4.24Å; F503-V532 HydrophobicContact CE1-CB 4.3Å; F503-V532 HydrophobicContact CE1-CG1 3.92Å; F503-V532 HydrophobicContact CZ-CG1 4.02Å; F503-A534 HydrophobicContact CE2-CB 3.71Å; F503-A534 HydrophobicContact CZ-CB 3.98Å; F503-Q543 HydrophobicContact CD2-CB 4.16Å; F503-Q543 HydrophobicContact CD2-CG 3.69Å; F503-Q543 HydrophobicContact CE2-CB 4.41Å; F503-Q543 HydrophobicContact CE2-CG 4.38Å; F503-Q543 WeakPolarHBondContact CE2-O 3.37Å; F503-I545 HydrophobicContact CB-CB 4.36Å; F503-I545 HydrophobicContact CD1-CB 3.77Å; F503-I545 HydrophobicContact CD1-CG2 3.26Å; F503-I545 HydrophobicContact CE1-CB 4.27Å; F503-I545 HydrophobicContact CE1-CG2 3.39Å; F503-I545 HydrophobicContact CG-CB 4.14Å; F503-I545 HydrophobicContact CG-CG2 4.12Å; F503-I545 HydrophobicContact CZ-CG2 4.32Å
504	T	91.6	Very high	86.2	Confident	47 Å²	47	58.1 Å²	58.1	29%	0.288	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.6	-177	-52.5	0	0	0	0	110.1	Q481 V482 I506	Q481-T504 HydrophobicContact CB-CG2 3.89Å; Q481-T504 HydrophobicContact CG-CG2 4.29Å; V482-T504 WeakPolarHBondContact O-CA 3.46Å; T504-I506 HydrophobicContact CG2-CG2 3.78Å
505	L	90.8	Very high	86.6	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.016	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	116.1	167.6	179.4	64.4	0	0	0	108.5	Q481 V482 I508 I518 A534 D536 Q543	Q481-L505 CarbonylContact C-O 3.58Å; Q481-L505 WeakPolarHBondContact CA-O 3.4Å; V482-L505 PolarHBondContact N-O 3.32Å; V482-L505 PolarHBondContact O-N 3.04Å; L505-I508 HydrophobicContact CD2-CD1 4.47Å; L505-I518 HydrophobicContact CD2-CD1 3.98Å; L505-I518 HydrophobicContact CD2-CG2 3.81Å; L505-A534 HydrophobicContact CD2-CB 4.47Å; L505-D536 HydrophobicContact CD2-CB 4.28Å; L505-Q543 HydrophobicContact CB-CB 4.5Å; L505-Q543 HydrophobicContact CD1-CB 3.86Å
506	I	91.3	Very high	87.2	Confident	108 Å²	108	59 Å²	59	55%	0.554	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	152.2	-174.4	59.8	169.6	0	0	0	113.4	Q481 T504	Q481-I506 HydrophobicContact CB-CG2 4.11Å; T504-I506 HydrophobicContact CG2-CG2 3.78Å
507	G	86.8	Confident	87.8	Confident	30 Å²	30	59.8 Å²	59.8	31%	0.309	34%	0.339	S	S	.	.			trans	76.1	41.1	174	0	0	0	0	0	113.7	T480 R541	T480-G507 PolarHBondContact O-N 2.83Å; G507-R541 PolarHBondContact O-NH1 2.84Å
508	I	89.6	Confident	88.5	Confident	4 Å²	4	59 Å²	59	2%	0.021	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-71.4	131.4	161.8	-59.3	165.4	0	0	0	107.2	T480 V482 L505 P516 I518	T480-I508 VanDerWaalsContact CA-O 3.27Å; T480-I508 WeakPolarHBondContact CA-O 3.46Å; T480-I508 WeakPolarHBondContact CB-O 3.25Å; T480-I508 PolarHBondContact O-N 3.04Å; V482-I508 HydrophobicContact CB-CD1 4.05Å; V482-I508 HydrophobicContact CG2-CD1 3.49Å; V482-I508 VanDerWaalsContact CG2-CD1 3.49Å; L505-I508 HydrophobicContact CD2-CD1 4.47Å; I508-P516 HydrophobicContact CG2-CB 3.76Å; I508-P516 HydrophobicContact CG2-CG 3.81Å; I508-I518 HydrophobicContact CD1-CD1 3.81Å; I508-I518 HydrophobicContact CG1-CD1 4.24Å
509	P	89.1	Confident	89.2	Confident	67 Å²	67	57.2 Å²	57.2	44%	0.435	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-62.2	141.9	176.6	-23	34.3	0	0	0	111.4	A511 T539	P509-A511 PolarHBondContact O-N 3.22Å; P509-A511 VanDerWaalsContact O-N 3.11Å; P509-T539 VanDerWaalsContact CD-CG2 3.48Å; P509-T539 HydrophobicContact CG-CG2 3.49Å; P509-T539 VanDerWaalsContact CG-CG2 3.49Å
510	P	91.1	Very high	89.6	Confident	104 Å²	104	53.2 Å²	53.2	68%	0.675	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-57.6	117.9	174.6	-23.1	32.5	0	0	0	111.2	T480	T480-P510 HydrophobicContact CG2-CG 3.92Å
511	A	91.2	Very high	90.3	Very high	23 Å²	23	52 Å²	52	19%	0.19	30%	0.302	C	S	.	.			trans	-143	161.6	177.6	0	0	0	0	0	109.9	G478 P509 V515 P516	G478-A511 PolarHBondContact N-O 3.29Å; P509-A511 PolarHBondContact O-N 3.22Å; P509-A511 VanDerWaalsContact O-N 3.11Å; A511-V515 HydrophobicContact CB-CB 4.11Å; A511-V515 HydrophobicContact CB-CG1 4.16Å; A511-P516 HydrophobicContact CB-CG 4.11Å
512	P	90.4	Very high	90.8	Very high	83 Å²	83	51.2 Å²	51.2	54%	0.539	29%	0.294	S	S	.	.			trans	-55	148.9	169.6	-23	33.6	0	0	0	111.4	V515	P512-V515 HydrophobicContact CB-CG2 4.05Å; P512-V515 HydrophobicContact CG-CG2 4.35Å; P512-V515 WeakPolarHBondContact O-CB 3.37Å; P512-V515 WeakPolarHBondContact O-CG2 3.49Å; P512-V515 PolarHBondContact O-N 3.3Å
513	R	87.4	Confident	90.8	Very high	171 Å²	171	49.4 Å²	49.4	65%	0.645	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	143	175	71.4	-177.7	-178	156.7	0.1	110.5	D477 V515	D477-R513 WeakPolarHBondContact OD1-CB 3.48Å; D477-R513 WeakPolarHBondContact OD1-CG 3.41Å; D477-R513 PolarHBondContact OD1-N 3.05Å; R513-V515 VanDerWaalsContact C-N 3.27Å; R513-V515 PolarHBondContact O-N 3.17Å
514	G	82.3	Confident	90.7	Very high	53 Å²	53	48.7 Å²	48.7	55%	0.546	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	-9.8	-179.3	0	0	0	0	0	115.3	S473 T474	S473-G514 WeakPolarHBondContact OG-CA 3.14Å; S473-G514 PolarHBondContact OG-N 3.22Å; S473-G514 PolarHBondContact OG-O 2.9Å; T474-G514 PolarHBondContact O-N 3.42Å
515	V	91.3	Very high	90.3	Very high	89 Å²	89	47.6 Å²	47.6	54%	0.539	28%	0.276	S	S	.	.			trans	-84.6	-48.7	-179.8	177	0	0	0	0	113.2	S473 A511 P512 R513 Q517	S473-V515 PolarHBondContact OG-N 2.98Å; A511-V515 HydrophobicContact CB-CB 4.11Å; A511-V515 HydrophobicContact CB-CG1 4.16Å; P512-V515 HydrophobicContact CB-CG2 4.05Å; P512-V515 HydrophobicContact CG-CG2 4.35Å; P512-V515 WeakPolarHBondContact O-CB 3.37Å; P512-V515 WeakPolarHBondContact O-CG2 3.49Å; P512-V515 PolarHBondContact O-N 3.3Å; R513-V515 VanDerWaalsContact C-N 3.27Å; R513-V515 PolarHBondContact O-N 3.17Å; V515-Q517 PolarHBondContact O-N 2.84Å
516	P	89.8	Confident	89.5	Confident	11 Å²	11	49.5 Å²	49.5	7%	0.071	29%	0.293	C	S	.	.	S	Bend	trans	-60.1	135.9	177	-24.9	36.8	0	0	0	111.4	S473 T474 I508 A511 I518	S473-P516 WeakPolarHBondContact CA-O 3.37Å; S473-P516 VanDerWaalsContact CB-O 3.22Å; S473-P516 WeakPolarHBondContact CB-O 3.39Å; S473-P516 PolarHBondContact OG-O 3.37Å; T474-P516 HydrophobicContact CG2-CB 4.03Å; T474-P516 HydrophobicContact CG2-CG 3.75Å; T474-P516 WeakPolarHBondContact OG1-CD 3.25Å; I508-P516 HydrophobicContact CG2-CB 3.76Å; I508-P516 HydrophobicContact CG2-CG 3.81Å; A511-P516 HydrophobicContact CB-CG 4.11Å; P516-I518 HydrophobicContact CB-CD1 4.26Å
517	Q	91.9	Very high	88.5	Confident	105 Å²	105	47.4 Å²	47.4	49%	0.491	28%	0.283	S	S	.	.			trans	-107.1	100.9	-179.8	-69.3	-169.4	-3.8	0	0	109.8	V471 V515 D536 K537	V471-Q517 HydrophobicContact CG1-CB 3.92Å; V471-Q517 HydrophobicContact CG1-CG 4.3Å; V515-Q517 PolarHBondContact O-N 2.84Å; Q517-D536 WeakPolarHBondContact O-CA 3.41Å; Q517-K537 HydrophobicContact CB-CB 4.13Å; Q517-K537 HydrophobicContact CB-CD 4.28Å; Q517-K537 HydrophobicContact CB-CG 4.33Å; Q517-K537 PolarHBondContact O-N 2.83Å
518	I	92.4	Very high	87.9	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.01	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	101.2	-177.5	-48.7	-52.5	0	0	0	108.7	F472 V482 L505 I508 P516 V520 A534 D536	F472-I518 PolarHBondContact N-O 3.31Å; F472-I518 PolarHBondContact O-N 3.07Å; V482-I518 HydrophobicContact CG2-CG1 4.32Å; L505-I518 HydrophobicContact CD2-CD1 3.98Å; L505-I518 HydrophobicContact CD2-CG2 3.81Å; I508-I518 HydrophobicContact CD1-CD1 3.81Å; I508-I518 HydrophobicContact CG1-CD1 4.24Å; P516-I518 HydrophobicContact CB-CD1 4.26Å; I518-V520 HydrophobicContact CG2-CG2 4.34Å; I518-V520 PolarHBondContact O-N 3.28Å; I518-A534 HydrophobicContact CG2-CB 4.3Å; I518-D536 HydrophobicContact CD1-CB 3.82Å
519	E	95.3	Very high	87.3	Confident	51 Å²	51	48.6 Å²	48.6	24%	0.238	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	112.2	176.6	-172.5	172.1	-91.6	0	0	109.7	V471 A534 K535 K537	V471-E519 HydrophobicContact CG2-CB 4.28Å; V471-E519 HydrophobicContact CG2-CG 4.32Å; E519-A534 CarbonylContact O-C 3.58Å; E519-A534 VanDerWaalsContact O-CA 3.28Å; E519-A534 WeakPolarHBondContact O-CA 3.24Å; E519-K535 PolarHBondContact N-O 3.48Å; E519-K535 PolarHBondContact O-N 2.72Å; E519-K537 HydrophobicContact CB-CD 4.16Å; E519-K537 HydrophobicContact CB-CG 4.09Å; E519-K537 IonicContact OE1-NZ 2.84Å; E519-K537 PolarHBondContact OE1-NZ 3.15Å
520	V	94.2	Very high	87	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.7	175.5	-176	0	0	0	0	108.5	I447 L457 S469 Q470 F472 I484 I518 F522 V532 S533 A534	I447-V520 HydrophobicContact CD1-CG2 4.36Å; I447-V520 HydrophobicContact CG2-CG1 4.44Å; L457-V520 HydrophobicContact CD2-CG1 4.42Å; S469-V520 CarbonylContact C-O 3.58Å; S469-V520 VanDerWaalsContact CA-O 3.28Å; S469-V520 WeakPolarHBondContact CA-O 3.49Å; Q470-V520 PolarHBondContact N-O 3.14Å; Q470-V520 PolarHBondContact O-N 3.04Å; F472-V520 HydrophobicContact CD2-CB 4.03Å; F472-V520 HydrophobicContact CD2-CG2 3.72Å; F472-V520 HydrophobicContact CE2-CB 4.08Å; F472-V520 HydrophobicContact CE2-CG2 4.21Å; I484-V520 HydrophobicContact CD1-CG2 3.68Å; I518-V520 HydrophobicContact CG2-CG2 4.34Å; I518-V520 PolarHBondContact O-N 3.28Å; V520-F522 HydrophobicContact CG1-CD2 4.15Å; V520-F522 HydrophobicContact CG1-CE2 3.77Å; V520-V532 HydrophobicContact CG1-CG1 4.02Å; V520-S533 CarbonylContact C-O 3.51Å; V520-S533 WeakPolarHBondContact CA-O 3.25Å; V520-A534 HydrophobicContact CG2-CB 4.15Å
521	T	95.3	Very high	86.8	Confident	13 Å²	13	44.1 Å²	44.1	8%	0.08	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.4	-177.6	-62	0	0	0	0	110	K467 K468 S469 V532 S533	K467-T521 HydrophobicContact CD-CG2 4.31Å; K467-T521 HydrophobicContact CG-CG2 3.96Å; K468-T521 CarbonylContact O-C 3.44Å; K468-T521 WeakPolarHBondContact O-CA 3.44Å; S469-T521 WeakPolarHBondContact CB-OG1 3.48Å; S469-T521 WeakPolarHBondContact OG-CB 3.39Å; S469-T521 VanDerWaalsContact OG-CG2 3.31Å; S469-T521 WeakPolarHBondContact OG-CG2 3.19Å; S469-T521 PolarHBondContact OG-OG1 2.83Å; T521-V532 CarbonylContact O-C 3.59Å; T521-V532 VanDerWaalsContact O-CA 3.29Å; T521-V532 WeakPolarHBondContact O-CA 3.46Å; T521-S533 PolarHBondContact N-O 3.31Å; T521-S533 PolarHBondContact O-N 2.97Å
522	F	94.4	Very high	86.8	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.8	169.7	-78.4	-116.9	0	0	0	108.4	L445 I447 L457 I458 K467 K468 V486 V520 V530 H531 V532	L445-F522 HydrophobicContact CB-CD1 4.01Å; L445-F522 HydrophobicContact CB-CE1 3.98Å; I447-F522 HydrophobicContact CG2-CE2 3.71Å; I447-F522 HydrophobicContact CG2-CZ 3.6Å; L457-F522 HydrophobicContact CB-CD2 4.15Å; L457-F522 HydrophobicContact CB-CE2 4.44Å; L457-F522 HydrophobicContact CB-CG 4.48Å; L457-F522 HydrophobicContact CD1-CE2 4.32Å; L457-F522 HydrophobicContact CD2-CD2 3.47Å; L457-F522 VanDerWaalsContact CD2-CD2 3.47Å; L457-F522 HydrophobicContact CD2-CE2 3.66Å; L457-F522 HydrophobicContact CD2-CG 4.47Å; L457-F522 HydrophobicContact CG-CD2 4.32Å; L457-F522 HydrophobicContact CG-CE2 4.37Å; I458-F522 HydrophobicContact CD1-CB 3.57Å; I458-F522 HydrophobicContact CG1-CB 4.25Å; K467-F522 CarbonylContact C-O 3.54Å; K467-F522 VanDerWaalsContact CA-O 3.3Å; K467-F522 WeakPolarHBondContact CA-O 3.36Å; K468-F522 PolarHBondContact N-O 3.42Å; K468-F522 PolarHBondContact O-N 2.92Å; V486-F522 HydrophobicContact CG1-CE1 3.68Å; V486-F522 HydrophobicContact CG1-CZ 3.88Å; V486-F522 HydrophobicContact CG2-CZ 4.3Å; V520-F522 HydrophobicContact CG1-CD2 4.15Å; V520-F522 HydrophobicContact CG1-CE2 3.77Å; F522-V530 HydrophobicContact CD1-CG1 3.9Å; F522-V530 HydrophobicContact CE1-CG1 4.45Å; F522-H531 WeakPolarHBondContact CA-O 3.46Å; F522-V532 HydrophobicContact CD1-CG2 3.77Å; F522-V532 HydrophobicContact CD2-CG1 4.05Å; F522-V532 HydrophobicContact CD2-CG2 4.39Å; F522-V532 HydrophobicContact CE1-CG2 3.7Å; F522-V532 HydrophobicContact CE2-CG1 3.74Å; F522-V532 HydrophobicContact CE2-CG2 4.31Å; F522-V532 HydrophobicContact CG-CG2 4.14Å; F522-V532 HydrophobicContact CZ-CG1 4.03Å; F522-V532 HydrophobicContact CZ-CG2 3.98Å
523	D	91.1	Very high	86.9	Confident	57 Å²	57	40 Å²	40	31%	0.305	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	120.8	177.4	-172.4	6.1	0	0	0	108.1	T466 K467 V530 H531	T466-D523 WeakPolarHBondContact O-CA 3.49Å; K467-D523 HydrophobicContact CD-CB 4.43Å; K467-D523 HydrophobicContact CG-CB 4.21Å; D523-V530 CarbonylContact O-C 3.53Å; D523-H531 HydrophobicContact CB-CB 4.2Å; D523-H531 PolarHBondContact N-O 3.43Å; D523-H531 PolarHBondContact O-N 3.03Å
524	I	87.3	Confident	87.3	Confident	1 Å²	1	31.8 Å²	31.8	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.2	-178.9	-47.9	178.3	0	0	0	108	T441 L445 I458 I464 P465 T466 I529 V530	T441-I524 HydrophobicContact CG2-CD1 4.37Å; L445-I524 HydrophobicContact CD1-CD1 3.44Å; L445-I524 VanDerWaalsContact CD1-CD1 3.44Å; L445-I524 HydrophobicContact CD1-CG1 4.15Å; I458-I524 HydrophobicContact CD1-CD1 3.56Å; I458-I524 HydrophobicContact CD1-CG1 3.75Å; I458-I524 HydrophobicContact CG2-CD1 3.99Å; I464-I524 HydrophobicContact CB-CG2 4.35Å; I464-I524 HydrophobicContact CG2-CB 4.08Å; I464-I524 HydrophobicContact CG2-CD1 4.26Å; I464-I524 HydrophobicContact CG2-CG2 3.73Å; P465-I524 CarbonylContact C-O 3.56Å; P465-I524 WeakPolarHBondContact CA-O 3.31Å; P465-I524 WeakPolarHBondContact CB-O 3.39Å; T466-I524 HydrophobicContact CG2-CB 4.29Å; T466-I524 HydrophobicContact CG2-CD1 4.05Å; T466-I524 HydrophobicContact CG2-CG1 4.27Å; T466-I524 PolarHBondContact N-O 2.97Å; T466-I524 PolarHBondContact O-N 3.21Å; I524-I529 WeakPolarHBondContact CA-O 3.28Å; I524-V530 HydrophobicContact CG1-CG2 4.34Å
525	D	82.8	Confident	87.9	Confident	23 Å²	23	33.1 Å²	33.1	12%	0.123	18%	0.182	C	C	.	.			trans	-80.4	-180	178.8	84.5	-8.2	0	0	0	112.9	N527 G528 I529	D525-N527 PolarHBondContact O-N 3.1Å; D525-N527 VanDerWaalsContact OD1-CA 3.28Å; D525-N527 WeakPolarHBondContact OD1-CA 3.46Å; D525-N527 VanDerWaalsContact OD1-CB 3.32Å; D525-N527 WeakPolarHBondContact OD1-CB 3.39Å; D525-N527 PolarHBondContact OD1-N 2.85Å; D525-N527 PolarHBondContact OD2-ND2 3.3Å; D525-N527 VanDerWaalsContact OD2-ND2 3.16Å; D525-G528 PolarHBondContact O-N 3.33Å; D525-G528 PolarHBondContact OD1-N 2.75Å; D525-I529 PolarHBondContact N-O 3.02Å; D525-I529 VanDerWaalsContact N-O 3.07Å; D525-I529 WeakPolarHBondContact OD1-CB 3.23Å; D525-I529 PolarHBondContact OD1-N 2.79Å
526	A	75.6	Confident	88	Confident	44 Å²	44	29.2 Å²	29.2	36%	0.364	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-12.6	179.2	0	0	0	0	0	114.3	R218	R218-A526 PolarHBondContact NH2-O 3.3Å
527	N	69.1	Low	88.2	Confident	64 Å²	64	33.6 Å²	33.6	34%	0.342	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-4.2	173.9	-56.7	-62.4	0	0	0	112.2	D525 I529	D525-N527 PolarHBondContact O-N 3.1Å; D525-N527 VanDerWaalsContact OD1-CA 3.28Å; D525-N527 WeakPolarHBondContact OD1-CA 3.46Å; D525-N527 VanDerWaalsContact OD1-CB 3.32Å; D525-N527 WeakPolarHBondContact OD1-CB 3.39Å; D525-N527 PolarHBondContact OD1-N 2.85Å; D525-N527 PolarHBondContact OD2-ND2 3.3Å; D525-N527 VanDerWaalsContact OD2-ND2 3.16Å; N527-I529 HydrophobicContact CB-CD1 4.31Å; N527-I529 HydrophobicContact CB-CG1 4.19Å
528	G	74.9	Confident	88	Confident	19 Å²	19	31.9 Å²	31.9	20%	0.196	19%	0.187	C	C	.	.			trans	82.9	9.8	-174.1	0	0	0	0	0	114.3	D525	D525-G528 PolarHBondContact O-N 3.33Å; D525-G528 PolarHBondContact OD1-N 2.75Å
529	I	76	Confident	87.9	Confident	40 Å²	40	34.6 Å²	34.6	21%	0.205	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-73.4	129.4	178.5	-61.6	174.2	0	0	0	109	I524 D525 N527 V546	I524-I529 WeakPolarHBondContact CA-O 3.28Å; D525-I529 PolarHBondContact N-O 3.02Å; D525-I529 VanDerWaalsContact N-O 3.07Å; D525-I529 WeakPolarHBondContact OD1-CB 3.23Å; D525-I529 PolarHBondContact OD1-N 2.79Å; N527-I529 HydrophobicContact CB-CD1 4.31Å; N527-I529 HydrophobicContact CB-CG1 4.19Å; I529-V546 HydrophobicContact CG2-CG1 4.31Å
530	V	83.3	Confident	87.6	Confident	5 Å²	5	34.1 Å²	34.1	3%	0.03	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	119.9	-175.6	-170.3	0	0	0	0	110.6	L445 F522 D523 I524 V532 I547	L445-V530 HydrophobicContact CD1-CG1 4.23Å; L445-V530 HydrophobicContact CD1-CG2 3.62Å; L445-V530 HydrophobicContact CD2-CG2 4.29Å; F522-V530 HydrophobicContact CD1-CG1 3.9Å; F522-V530 HydrophobicContact CE1-CG1 4.45Å; D523-V530 CarbonylContact O-C 3.53Å; I524-V530 HydrophobicContact CG1-CG2 4.34Å; V530-V532 HydrophobicContact CG1-CG2 3.76Å; V530-I547 HydrophobicContact CB-CB 4.2Å; V530-I547 HydrophobicContact CB-CG1 4.46Å; V530-I547 WeakPolarHBondContact O-CA 3.22Å; V530-I547 VanDerWaalsContact O-CB 3.25Å; V530-I547 WeakPolarHBondContact O-CB 3.36Å; V530-I547 PolarHBondContact O-N 3.33Å
531	H	86.9	Confident	87.3	Confident	71 Å²	71	40.5 Å²	40.5	33%	0.329	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.1	168.4	-58.5	-96.5	0	0	0	108.4	F522 D523	F522-H531 WeakPolarHBondContact CA-O 3.46Å; D523-H531 HydrophobicContact CB-CB 4.2Å; D523-H531 PolarHBondContact N-O 3.43Å; D523-H531 PolarHBondContact O-N 3.03Å
532	V	91.2	Very high	87.1	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.4	177.5	-172.4	0	0	0	0	109.3	V486 F503 V520 T521 F522 V530 Q544 I545 I547	V486-V532 HydrophobicContact CG1-CG2 4.09Å; V486-V532 HydrophobicContact CG2-CB 4.16Å; V486-V532 HydrophobicContact CG2-CG1 3.93Å; V486-V532 HydrophobicContact CG2-CG2 3.98Å; F503-V532 HydrophobicContact CE1-CB 4.3Å; F503-V532 HydrophobicContact CE1-CG1 3.92Å; F503-V532 HydrophobicContact CZ-CG1 4.02Å; V520-V532 HydrophobicContact CG1-CG1 4.02Å; T521-V532 CarbonylContact O-C 3.59Å; T521-V532 VanDerWaalsContact O-CA 3.29Å; T521-V532 WeakPolarHBondContact O-CA 3.46Å; F522-V532 HydrophobicContact CD1-CG2 3.77Å; F522-V532 HydrophobicContact CD2-CG1 4.05Å; F522-V532 HydrophobicContact CD2-CG2 4.39Å; F522-V532 HydrophobicContact CE1-CG2 3.7Å; F522-V532 HydrophobicContact CE2-CG1 3.74Å; F522-V532 HydrophobicContact CE2-CG2 4.31Å; F522-V532 HydrophobicContact CG-CG2 4.14Å; F522-V532 HydrophobicContact CZ-CG1 4.03Å; F522-V532 HydrophobicContact CZ-CG2 3.98Å; V530-V532 HydrophobicContact CG1-CG2 3.76Å; V532-Q544 WeakPolarHBondContact O-CA 3.2Å; V532-I545 HydrophobicContact CB-CG2 4.01Å; V532-I545 PolarHBondContact N-O 3.34Å; V532-I545 PolarHBondContact O-N 3.35Å; V532-I547 HydrophobicContact CG2-CG1 3.89Å
533	S	93.5	Very high	86.9	Confident	18 Å²	18	48.9 Å²	48.9	13%	0.126	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	152.2	172.8	79.4	0	0	0	0	111.4	V520 T521 E542	V520-S533 CarbonylContact C-O 3.51Å; V520-S533 WeakPolarHBondContact CA-O 3.25Å; T521-S533 PolarHBondContact N-O 3.31Å; T521-S533 PolarHBondContact O-N 2.97Å; S533-E542 VanDerWaalsContact CB-OE1 3.28Å; S533-E542 WeakPolarHBondContact CB-OE1 3.46Å; S533-E542 PolarHBondContact OG-OE1 2.94Å; S533-E542 VanDerWaalsContact OG-OE1 3.13Å
534	A	94.2	Very high	86.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	128.8	172.7	0	0	0	0	0	110.3	I484 F503 L505 I518 E519 V520 E542 Q543	I484-A534 HydrophobicContact CD1-CB 3.14Å; F503-A534 HydrophobicContact CE2-CB 3.71Å; F503-A534 HydrophobicContact CZ-CB 3.98Å; L505-A534 HydrophobicContact CD2-CB 4.47Å; I518-A534 HydrophobicContact CG2-CB 4.3Å; E519-A534 CarbonylContact O-C 3.58Å; E519-A534 VanDerWaalsContact O-CA 3.28Å; E519-A534 WeakPolarHBondContact O-CA 3.24Å; V520-A534 HydrophobicContact CG2-CB 4.15Å; A534-E542 CarbonylContact O-C 3.52Å; A534-E542 VanDerWaalsContact O-CA 3.3Å; A534-E542 WeakPolarHBondContact O-CA 3.48Å; A534-Q543 PolarHBondContact N-O 2.75Å; A534-Q543 PolarHBondContact O-N 2.75Å
535	K	94.8	Very high	86.3	Confident	81 Å²	81	54.1 Å²	54.1	35%	0.352	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.3	-175.9	-176.3	174.3	-178	172.2	0	110.6	E519 K537 R541 E542	E519-K535 PolarHBondContact N-O 3.48Å; E519-K535 PolarHBondContact O-N 2.72Å; K535-K537 PolarHBondContact O-N 2.81Å; K535-R541 CarbonylContact C-O 3.55Å; K535-R541 WeakPolarHBondContact CA-O 3.31Å; K535-E542 HydrophobicContact CB-CB 4.31Å; K535-E542 HydrophobicContact CB-CG 4.35Å; K535-E542 HydrophobicContact CG-CB 4.3Å
536	D	94.4	Very high	86	Confident	6 Å²	6	55.6 Å²	55.6	3%	0.032	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	116.3	165.8	172.3	22.9	0	0	0	108.9	L505 Q517 I518 G538 T539 G540 R541	L505-D536 HydrophobicContact CD2-CB 4.28Å; Q517-D536 WeakPolarHBondContact O-CA 3.41Å; I518-D536 HydrophobicContact CD1-CB 3.82Å; D536-G538 PolarHBondContact O-N 3.4Å; D536-G538 PolarHBondContact OD1-N 3.46Å; D536-T539 WeakPolarHBondContact OD2-CB 3.4Å; D536-T539 VanDerWaalsContact OD2-CG2 3.24Å; D536-T539 WeakPolarHBondContact OD2-CG2 3.42Å; D536-T539 PolarHBondContact OD2-N 3.01Å; D536-T539 PolarHBondContact OD2-OG1 3.31Å; D536-G540 VanDerWaalsContact O-CA 3.24Å; D536-G540 WeakPolarHBondContact O-CA 3.22Å; D536-G540 PolarHBondContact O-N 2.9Å; D536-R541 PolarHBondContact N-O 3.07Å
537	K	92.9	Very high	85.8	Confident	103 Å²	103	53.6 Å²	53.6	45%	0.448	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-23.1	-178.4	-59.5	-174.8	76.3	143.7	0	112.7	V471 Q517 E519 K535	V471-K537 HydrophobicContact CG2-CD 4.27Å; Q517-K537 HydrophobicContact CB-CB 4.13Å; Q517-K537 HydrophobicContact CB-CD 4.28Å; Q517-K537 HydrophobicContact CB-CG 4.33Å; Q517-K537 PolarHBondContact O-N 2.83Å; E519-K537 HydrophobicContact CB-CD 4.16Å; E519-K537 HydrophobicContact CB-CG 4.09Å; E519-K537 IonicContact OE1-NZ 2.84Å; E519-K537 PolarHBondContact OE1-NZ 3.15Å; K535-K537 PolarHBondContact O-N 2.81Å
538	G	88.6	Confident	85.4	Confident	70 Å²	70	57.2 Å²	57.2	72%	0.722	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-48.9	178.8	0	0	0	0	0	112.5	D536	D536-G538 PolarHBondContact O-N 3.4Å; D536-G538 PolarHBondContact OD1-N 3.46Å
539	T	89.4	Confident	84.6	Confident	58 Å²	58	57.2 Å²	57.2	36%	0.356	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-15.6	-178.3	61	0	0	0	0	114.5	P509 D536 R541	P509-T539 VanDerWaalsContact CD-CG2 3.48Å; P509-T539 HydrophobicContact CG-CG2 3.49Å; P509-T539 VanDerWaalsContact CG-CG2 3.49Å; D536-T539 WeakPolarHBondContact OD2-CB 3.4Å; D536-T539 VanDerWaalsContact OD2-CG2 3.24Å; D536-T539 WeakPolarHBondContact OD2-CG2 3.42Å; D536-T539 PolarHBondContact OD2-N 3.01Å; D536-T539 PolarHBondContact OD2-OG1 3.31Å; T539-R541 PolarHBondContact O-N 2.98Å; T539-R541 WeakPolarHBondContact OG1-CB 3.28Å; T539-R541 WeakPolarHBondContact OG1-CG 3.42Å; T539-R541 PolarHBondContact OG1-N 3.12Å
540	G	89	Confident	83.8	Confident	41 Å²	41	59.1 Å²	59.1	42%	0.423	32%	0.319	S	S	.	.			trans	72.4	1.3	-172.1	0	0	0	0	0	114	D536 E542	D536-G540 VanDerWaalsContact O-CA 3.24Å; D536-G540 WeakPolarHBondContact O-CA 3.22Å; D536-G540 PolarHBondContact O-N 2.9Å; G540-E542 PolarHBondContact O-N 3.16Å
541	R	88.9	Confident	82.6	Confident	136 Å²	136	59.2 Å²	59.2	51%	0.513	32%	0.321	S	S	.	.			trans	-65.4	134.2	176.1	-70.1	-177.8	-179.3	-152.7	3.5	109.7	G507 K535 D536 T539	G507-R541 PolarHBondContact O-NH1 2.84Å; K535-R541 CarbonylContact C-O 3.55Å; K535-R541 WeakPolarHBondContact CA-O 3.31Å; D536-R541 PolarHBondContact N-O 3.07Å; T539-R541 PolarHBondContact O-N 2.98Å; T539-R541 WeakPolarHBondContact OG1-CB 3.28Å; T539-R541 WeakPolarHBondContact OG1-CG 3.42Å; T539-R541 PolarHBondContact OG1-N 3.12Å
542	E	91.6	Very high	81.7	Confident	97 Å²	97	56.3 Å²	56.3	45%	0.453	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	143.6	179.9	-179.4	168.7	-157.7	0	0	109.2	S533 A534 K535 G540	S533-E542 VanDerWaalsContact CB-OE1 3.28Å; S533-E542 WeakPolarHBondContact CB-OE1 3.46Å; S533-E542 PolarHBondContact OG-OE1 2.94Å; S533-E542 VanDerWaalsContact OG-OE1 3.13Å; A534-E542 CarbonylContact O-C 3.52Å; A534-E542 VanDerWaalsContact O-CA 3.3Å; A534-E542 WeakPolarHBondContact O-CA 3.48Å; K535-E542 HydrophobicContact CB-CB 4.31Å; K535-E542 HydrophobicContact CB-CG 4.35Å; K535-E542 HydrophobicContact CG-CB 4.3Å; G540-E542 PolarHBondContact O-N 3.16Å
543	Q	88.7	Confident	81	Confident	91 Å²	91	57 Å²	57	43%	0.425	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	140	163.6	-177	66.4	-21.9	0	0	107.6	F503 L505 A534	F503-Q543 HydrophobicContact CD2-CB 4.16Å; F503-Q543 HydrophobicContact CD2-CG 3.69Å; F503-Q543 HydrophobicContact CE2-CB 4.41Å; F503-Q543 HydrophobicContact CE2-CG 4.38Å; F503-Q543 WeakPolarHBondContact CE2-O 3.37Å; L505-Q543 HydrophobicContact CB-CB 4.5Å; L505-Q543 HydrophobicContact CD1-CB 3.86Å; A534-Q543 PolarHBondContact N-O 2.75Å; A534-Q543 PolarHBondContact O-N 2.75Å
544	Q	87.1	Confident	80.3	Confident	126 Å²	126	58.6 Å²	58.6	59%	0.589	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.4	153.2	178.7	63.9	-178	-2.2	0	0	110.5	V532	V532-Q544 WeakPolarHBondContact O-CA 3.2Å
545	I	80.1	Confident	79.7	Confident	43 Å²	43	66 Å²	66	22%	0.221	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.2	166.4	-166.6	167.5	0	0	0	106.7	F503 V532 I547	F503-I545 HydrophobicContact CB-CB 4.36Å; F503-I545 HydrophobicContact CD1-CB 3.77Å; F503-I545 HydrophobicContact CD1-CG2 3.26Å; F503-I545 HydrophobicContact CE1-CB 4.27Å; F503-I545 HydrophobicContact CE1-CG2 3.39Å; F503-I545 HydrophobicContact CG-CB 4.14Å; F503-I545 HydrophobicContact CG-CG2 4.12Å; F503-I545 HydrophobicContact CZ-CG2 4.32Å; V532-I545 HydrophobicContact CB-CG2 4.01Å; V532-I545 PolarHBondContact N-O 3.34Å; V532-I545 PolarHBondContact O-N 3.35Å; I545-I547 HydrophobicContact CD1-CD1 4.19Å; I545-I547 HydrophobicContact CG1-CD1 4.26Å; I545-I547 HydrophobicContact CG2-CD1 3.56Å; I545-I547 HydrophobicContact CG2-CG1 4.24Å
546	V	76.7	Confident	79.1	Confident	53 Å²	53	67.5 Å²	67.5	32%	0.321	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	118.3	157.5	-174.9	0	0	0	0	104.3	I529 Q548	I529-V546 HydrophobicContact CG2-CG1 4.31Å; V546-Q548 HydrophobicContact CB-CG 4.03Å; V546-Q548 HydrophobicContact CG1-CG 3.6Å; V546-Q548 PolarHBondContact O-N 3Å
547	I	70.1	Confident	78.6	Confident	3 Å²	3	70.2 Å²	70.2	2%	0.015	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	79.5	169.1	-53.9	-64.3	0	0	0	105.4	V486 L500 V530 V532 I545 S549	V486-I547 HydrophobicContact CB-CD1 4.09Å; V486-I547 HydrophobicContact CG1-CD1 4.24Å; V486-I547 HydrophobicContact CG1-CG1 4.3Å; V486-I547 HydrophobicContact CG2-CD1 4.15Å; L500-I547 HydrophobicContact CB-CG2 3.75Å; L500-I547 HydrophobicContact CD1-CG2 4.15Å; V530-I547 HydrophobicContact CB-CB 4.2Å; V530-I547 HydrophobicContact CB-CG1 4.46Å; V530-I547 WeakPolarHBondContact O-CA 3.22Å; V530-I547 VanDerWaalsContact O-CB 3.25Å; V530-I547 WeakPolarHBondContact O-CB 3.36Å; V530-I547 PolarHBondContact O-N 3.33Å; V532-I547 HydrophobicContact CG2-CG1 3.89Å; I545-I547 HydrophobicContact CD1-CD1 4.19Å; I545-I547 HydrophobicContact CG1-CD1 4.26Å; I545-I547 HydrophobicContact CG2-CD1 3.56Å; I545-I547 HydrophobicContact CG2-CG1 4.24Å; I547-S549 PolarHBondContact O-N 3.2Å
548	Q	61.4	Low	78	Confident	140 Å²	140	65.9 Å²	65.9	65%	0.654	37%	0.366	S	S	*	.			trans	-77.7	103.8	161.8	-61.9	-174.1	-14.6	0	0	103.6	V546 S550	V546-Q548 HydrophobicContact CB-CG 4.03Å; V546-Q548 HydrophobicContact CG1-CG 3.6Å; V546-Q548 PolarHBondContact O-N 3Å; Q548-S550 PolarHBondContact O-N 3.05Å; Q548-S550 VanDerWaalsContact O-N 3.16Å
549	S	58.6	Low	77.9	Confident	18 Å²	18	67.4 Å²	67.4	13%	0.126	35%	0.354	C	S	.	.			trans	-50.6	129.4	162.6	-95.3	0	0	0	0	108.5	D199 S200 Q203 I547 G551	D199-S549 VanDerWaalsContact C-CB 3.46Å; D199-S549 WeakPolarHBondContact CB-OG 3.46Å; D199-S549 WeakPolarHBondContact O-CB 3.43Å; D199-S549 WeakPolarHBondContact OD2-CB 3.39Å; D199-S549 PolarHBondContact OD2-N 3.01Å; D199-S549 PolarHBondContact OD2-OG 3.34Å; S200-S549 PolarHBondContact N-OG 3.34Å; S200-S549 VanDerWaalsContact N-OG 3.1Å; Q203-S549 VanDerWaalsContact CG-O 3.32Å; Q203-S549 WeakPolarHBondContact CG-O 3.42Å; I547-S549 PolarHBondContact O-N 3.2Å; S549-G551 PolarHBondContact O-N 2.83Å
550	S	57.5	Low	77.7	Confident	80 Å²	80	68.6 Å²	68.6	56%	0.559	36%	0.358	S	S	*	.			trans	-72.2	123.7	158.5	58.3	0	0	0	0	106	S200 Q548 G552	S200-S550 PolarHBondContact OG-O 3.02Å; Q548-S550 PolarHBondContact O-N 3.05Å; Q548-S550 VanDerWaalsContact O-N 3.16Å; S550-G552 PolarHBondContact O-N 3.28Å
551	G	59.3	Low	77.5	Confident	7 Å²	7	67.3 Å²	67.3	7%	0.072	34%	0.341	C	S	.	.			trans	-69.5	18.7	165.1	0	0	0	0	0	112.3	S549 L553	S549-G551 PolarHBondContact O-N 2.83Å; G551-L553 PolarHBondContact O-N 2.78Å
552	G	67.1	Low	77.2	Confident	11 Å²	11	62.2 Å²	62.2	11%	0.113	33%	0.325	C	S	.	.	S	Bend	trans	85.6	-24.8	-167.5	0	0	0	0	0	114.7	N149 D151 S550	N149-G552 PolarHBondContact ND2-O 2.87Å; D151-G552 WeakPolarHBondContact OD2-CA 3.44Å; S550-G552 PolarHBondContact O-N 3.28Å
553	L	76.4	Confident	76.8	Confident	14 Å²	14	63.2 Å²	63.2	7%	0.073	33%	0.328	C	S	.	.			trans	-99.7	139.1	-172.4	-58.3	176.5	0	0	0	112.1	W153 D207 I211 G551 D557 I558 M561	W153-L553 HydrophobicContact CH2-CD2 4.35Å; W153-L553 HydrophobicContact CZ2-CD2 3.74Å; D207-L553 HydrophobicContact CB-CD1 4.49Å; I211-L553 HydrophobicContact CD1-CD1 3.97Å; G551-L553 PolarHBondContact O-N 2.78Å; L553-D557 HydrophobicContact CB-CB 4.27Å; L553-D557 HydrophobicContact CD2-CB 4.34Å; L553-I558 HydrophobicContact CB-CD1 4.31Å; L553-I558 HydrophobicContact CB-CG1 3.86Å; L553-I558 HydrophobicContact CD1-CG1 4.3Å; L553-M561 HydrophobicContact CD1-CE 4.29Å; L553-M561 HydrophobicContact CD1-SD 3.7Å; L553-M561 HydrophobicContact CD2-CE 3.6Å; L553-M561 HydrophobicContact CD2-SD 4.13Å
554	S	80.2	Confident	76.4	Confident	53 Å²	53	62.2 Å²	62.2	37%	0.371	33%	0.326	S	S	.	.			trans	-76.7	164.1	167.7	71.7	0	0	0	0	110.9	D556 D557 I558	S554-D556 VanDerWaalsContact C-N 3.26Å; S554-D556 PolarHBondContact O-N 3.37Å; S554-D557 WeakPolarHBondContact CB-OD2 3.32Å; S554-D557 PolarHBondContact N-OD2 2.84Å; S554-D557 WeakPolarHBondContact O-CB 3.04Å; S554-D557 PolarHBondContact O-N 3.17Å; S554-D557 PolarHBondContact OG-N 3.43Å; S554-D557 VanDerWaalsContact OG-N 3.09Å; S554-D557 PolarHBondContact OG-OD2 2.82Å; S554-I558 WeakPolarHBondContact O-CG1 3.36Å; S554-I558 PolarHBondContact O-N 3.34Å
555	K	80	Confident	75.7	Confident	155 Å²	155	56.4 Å²	56.4	67%	0.674	30%	0.3	S	S	*	.	H	α-helix	trans	-58.7	-41.3	174.1	-68.8	-176.3	-179.8	179.3	0	111.7	D557 I558 E559	K555-D557 VanDerWaalsContact C-N 3.33Å; K555-D557 PolarHBondContact O-N 3.06Å; K555-I558 PolarHBondContact O-N 3.34Å; K555-E559 WeakPolarHBondContact O-CG 3.42Å; K555-E559 PolarHBondContact O-N 3.1Å
556	D	83.5	Confident	75.6	Confident	112 Å²	112	60.3 Å²	60.3	60%	0.599	32%	0.317	S	S	*	.	H	α-helix	trans	-63.8	-39.6	177.4	-64.5	-6.9	0	0	0	111.2	S554 N560	S554-D556 VanDerWaalsContact C-N 3.26Å; S554-D556 PolarHBondContact O-N 3.37Å; D556-N560 VanDerWaalsContact O-CB 3.32Å; D556-N560 WeakPolarHBondContact O-CB 3.49Å; D556-N560 PolarHBondContact O-N 2.96Å; D556-N560 PolarHBondContact O-ND2 3.43Å
557	D	83.8	Confident	75.7	Confident	63 Å²	63	63.6 Å²	63.6	34%	0.337	33%	0.327	S	S	.	.	H	α-helix	trans	-60.5	-50.8	172.7	-63.8	-46.3	0	0	0	110.2	L553 S554 K555 E559 N560 M561	L553-D557 HydrophobicContact CB-CB 4.27Å; L553-D557 HydrophobicContact CD2-CB 4.34Å; S554-D557 WeakPolarHBondContact CB-OD2 3.32Å; S554-D557 PolarHBondContact N-OD2 2.84Å; S554-D557 WeakPolarHBondContact O-CB 3.04Å; S554-D557 PolarHBondContact O-N 3.17Å; S554-D557 PolarHBondContact OG-N 3.43Å; S554-D557 VanDerWaalsContact OG-N 3.09Å; S554-D557 PolarHBondContact OG-OD2 2.82Å; K555-D557 VanDerWaalsContact C-N 3.33Å; K555-D557 PolarHBondContact O-N 3.06Å; D557-E559 PolarHBondContact O-N 3.02Å; D557-N560 PolarHBondContact O-N 3.16Å; D557-M561 HydrophobicContact CB-CE 4.42Å; D557-M561 WeakPolarHBondContact O-CB 3.38Å; D557-M561 WeakPolarHBondContact O-CG 3.33Å; D557-M561 PolarHBondContact O-N 2.81Å
558	I	81.1	Confident	76	Confident	12 Å²	12	66.5 Å²	66.5	6%	0.062	34%	0.338	C	S	.	.	H	α-helix	trans	-57.8	-47.6	180	-65.5	166.7	0	0	0	110.6	D207 Q210 I211 L553 S554 K555 N560 M561 V562	D207-I558 HydrophobicContact CB-CD1 4.25Å; Q210-I558 HydrophobicContact CB-CG2 4.48Å; Q210-I558 HydrophobicContact CG-CG2 3.98Å; I211-I558 HydrophobicContact CG1-CG2 4.38Å; L553-I558 HydrophobicContact CB-CD1 4.31Å; L553-I558 HydrophobicContact CB-CG1 3.86Å; L553-I558 HydrophobicContact CD1-CG1 4.3Å; S554-I558 WeakPolarHBondContact O-CG1 3.36Å; S554-I558 PolarHBondContact O-N 3.34Å; K555-I558 PolarHBondContact O-N 3.34Å; I558-N560 PolarHBondContact O-N 3.06Å; I558-M561 CarbonylContact O-C 3.57Å; I558-M561 WeakPolarHBondContact O-CB 3.12Å; I558-M561 PolarHBondContact O-N 2.78Å; I558-M561 VanDerWaalsContact O-N 3.17Å; I558-V562 HydrophobicContact CG2-CG2 4.31Å; I558-V562 VanDerWaalsContact O-CG2 3.26Å; I558-V562 WeakPolarHBondContact O-CG2 3.45Å; I558-V562 PolarHBondContact O-N 2.89Å
559	E	85.6	Confident	76.5	Confident	102 Å²	102	62 Å²	62	48%	0.477	33%	0.325	S	S	.	.	H	α-helix	trans	-62	-41.9	178.3	-73.5	-177.7	-167	0	0	112.6	K555 D557 M561 V562 K563	K555-E559 WeakPolarHBondContact O-CG 3.42Å; K555-E559 PolarHBondContact O-N 3.1Å; D557-E559 PolarHBondContact O-N 3.02Å; E559-M561 VanDerWaalsContact C-N 3.32Å; E559-V562 PolarHBondContact O-N 3.13Å; E559-K563 WeakPolarHBondContact O-CG 3.47Å; E559-K563 PolarHBondContact O-N 3.33Å
560	N	85	Confident	77.5	Confident	83 Å²	83	63.9 Å²	63.9	44%	0.444	33%	0.332	S	S	.	.	H	α-helix	trans	-64.9	-38.4	174.6	-73.1	-33.5	0	0	0	111.5	D556 D557 I558 K563 N564	D556-N560 VanDerWaalsContact O-CB 3.32Å; D556-N560 WeakPolarHBondContact O-CB 3.49Å; D556-N560 PolarHBondContact O-N 2.96Å; D556-N560 PolarHBondContact O-ND2 3.43Å; D557-N560 PolarHBondContact O-N 3.16Å; I558-N560 PolarHBondContact O-N 3.06Å; N560-K563 PolarHBondContact O-N 3.49Å; N560-N564 WeakPolarHBondContact O-CB 3.46Å; N560-N564 PolarHBondContact O-N 2.96Å; N560-N564 PolarHBondContact O-ND2 3.41Å; N560-N564 VanDerWaalsContact O-ND2 3.16Å
561	M	85.4	Confident	78.4	Confident	14 Å²	14	63.6 Å²	63.6	7%	0.069	32%	0.321	C	S	.	.	H	α-helix	trans	-68.4	-38.5	176.6	-68.4	-177.4	178.2	0	0	112.1	W153 Q165 I211 L553 D557 I558 E559 N564 A565	W153-M561 HydrophobicContact CH2-CE 3.96Å; Q165-M561 VanDerWaalsContact CD-CE 3.42Å; Q165-M561 HydrophobicContact CG-CB 4.43Å; Q165-M561 HydrophobicContact CG-CE 3.92Å; Q165-M561 HydrophobicContact CG-CG 4Å; Q165-M561 HydrophobicContact CG-SD 3.29Å; Q165-M561 WeakPolarHBondContact CG-SD 3.42Å; Q165-M561 PolarHBondContact NE2-SD 3.06Å; I211-M561 HydrophobicContact CD1-CB 4.13Å; I211-M561 HydrophobicContact CD1-SD 3.8Å; I211-M561 HydrophobicContact CG1-CB 3.96Å; I211-M561 HydrophobicContact CG2-CB 4.11Å; L553-M561 HydrophobicContact CD1-CE 4.29Å; L553-M561 HydrophobicContact CD1-SD 3.7Å; L553-M561 HydrophobicContact CD2-CE 3.6Å; L553-M561 HydrophobicContact CD2-SD 4.13Å; D557-M561 HydrophobicContact CB-CE 4.42Å; D557-M561 WeakPolarHBondContact O-CB 3.38Å; D557-M561 WeakPolarHBondContact O-CG 3.33Å; D557-M561 PolarHBondContact O-N 2.81Å; I558-M561 CarbonylContact O-C 3.57Å; I558-M561 WeakPolarHBondContact O-CB 3.12Å; I558-M561 PolarHBondContact O-N 2.78Å; I558-M561 VanDerWaalsContact O-N 3.17Å; E559-M561 VanDerWaalsContact C-N 3.32Å; M561-N564 PolarHBondContact O-N 3Å; M561-A565 VanDerWaalsContact O-CB 3.3Å; M561-A565 WeakPolarHBondContact O-CB 3.45Å; M561-A565 PolarHBondContact O-N 2.71Å
562	V	81.2	Confident	79	Confident	29 Å²	29	65.5 Å²	65.5	18%	0.176	33%	0.33	C	S	.	.	H	α-helix	trans	-60.5	-51.5	172	169.7	0	0	0	0	110	I558 E559 N564 A565 E566	I558-V562 HydrophobicContact CG2-CG2 4.31Å; I558-V562 VanDerWaalsContact O-CG2 3.26Å; I558-V562 WeakPolarHBondContact O-CG2 3.45Å; I558-V562 PolarHBondContact O-N 2.89Å; E559-V562 PolarHBondContact O-N 3.13Å; V562-N564 VanDerWaalsContact C-N 3.28Å; V562-N564 PolarHBondContact O-N 3.41Å; V562-A565 WeakPolarHBondContact O-CB 3.47Å; V562-A565 PolarHBondContact O-N 2.85Å; V562-A565 VanDerWaalsContact O-N 3.07Å; V562-E566 WeakPolarHBondContact O-CG 3.48Å; V562-E566 PolarHBondContact O-N 2.92Å
563	K	84.5	Confident	79.5	Confident	118 Å²	118	71.1 Å²	71.1	51%	0.513	35%	0.348	S	S	.	.	H	α-helix	trans	-57.6	-41.7	177.2	-72.1	170.1	-174.7	164.6	0	112.2	E559 N560 K567	E559-K563 WeakPolarHBondContact O-CG 3.47Å; E559-K563 PolarHBondContact O-N 3.33Å; N560-K563 PolarHBondContact O-N 3.49Å; K563-K567 WeakPolarHBondContact O-CB 3.23Å; K563-K567 PolarHBondContact O-N 2.98Å
564	N	79	Confident	79.7	Confident	70 Å²	70	78 Å²	78	37%	0.374	37%	0.373	S	S	.	.	H	α-helix	trans	-66.6	-41.8	175.9	-73.3	-28.5	0	0	0	111.6	N560 M561 V562 K567 Y568	N560-N564 WeakPolarHBondContact O-CB 3.46Å; N560-N564 PolarHBondContact O-N 2.96Å; N560-N564 PolarHBondContact O-ND2 3.41Å; N560-N564 VanDerWaalsContact O-ND2 3.16Å; M561-N564 PolarHBondContact O-N 3Å; V562-N564 VanDerWaalsContact C-N 3.28Å; V562-N564 PolarHBondContact O-N 3.41Å; N564-K567 PolarHBondContact O-N 2.82Å; N564-Y568 HydrophobicContact CB-CD2 4.45Å; N564-Y568 HydrophobicContact CB-CE2 4.05Å; N564-Y568 WeakPolarHBondContact O-CD2 3.32Å; N564-Y568 VanDerWaalsContact O-CG 3.27Å; N564-Y568 PolarHBondContact O-N 2.75Å
565	A	73.6	Confident	79.5	Confident	5 Å²	5	78.5 Å²	78.5	4%	0.041	37%	0.368	C	S	.	.	H	α-helix	trans	-61.6	-43.4	176.7	0	0	0	0	0	111.6	M172 I211 M561 V562 Y568 A569	M172-A565 HydrophobicContact CE-CB 4.19Å; M172-A565 HydrophobicContact SD-CB 4.22Å; I211-A565 HydrophobicContact CG2-CB 4.24Å; I211-A565 WeakPolarHBondContact O-CB 3.48Å; M561-A565 VanDerWaalsContact O-CB 3.3Å; M561-A565 WeakPolarHBondContact O-CB 3.45Å; M561-A565 PolarHBondContact O-N 2.71Å; V562-A565 WeakPolarHBondContact O-CB 3.47Å; V562-A565 PolarHBondContact O-N 2.85Å; V562-A565 VanDerWaalsContact O-N 3.07Å; A565-Y568 PolarHBondContact O-N 2.93Å; A565-A569 WeakPolarHBondContact O-CB 3.22Å; A565-A569 PolarHBondContact O-N 2.84Å
566	E	78.2	Confident	79.2	Confident	124 Å²	124	76 Å²	76	58%	0.579	36%	0.357	S	S	*	.	H	α-helix	trans	-61.5	-45.2	174	-71.2	176.2	165.4	0	0	111.9	V562 Y568 A569 E570	V562-E566 WeakPolarHBondContact O-CG 3.48Å; V562-E566 PolarHBondContact O-N 2.92Å; E566-Y568 PolarHBondContact O-N 2.86Å; E566-A569 PolarHBondContact O-N 2.87Å; E566-E570 PolarHBondContact O-N 3.36Å
567	K	78.7	Confident	79	Confident	122 Å²	122	73.4 Å²	73.4	53%	0.53	34%	0.341	S	S	.	.	H	α-helix	trans	-58.8	-46.6	175.1	-179.8	-178.5	172.6	-177.6	0	111.5	K563 N564 E570 E571	K563-K567 WeakPolarHBondContact O-CB 3.23Å; K563-K567 PolarHBondContact O-N 2.98Å; N564-K567 PolarHBondContact O-N 2.82Å; K567-E570 PolarHBondContact O-N 2.88Å; K567-E571 WeakPolarHBondContact CE-OE1 3.26Å; K567-E571 WeakPolarHBondContact O-CG 3.44Å; K567-E571 PolarHBondContact O-N 2.86Å
568	Y	75.2	Confident	79	Confident	65 Å²	65	72.9 Å²	72.9	26%	0.255	34%	0.335	S	S	.	.	H	α-helix	trans	-67.8	-37	179	-65.2	-46.1	0	0	0	112.3	N564 A565 E566 E570 E571 D572	N564-Y568 HydrophobicContact CB-CD2 4.45Å; N564-Y568 HydrophobicContact CB-CE2 4.05Å; N564-Y568 WeakPolarHBondContact O-CD2 3.32Å; N564-Y568 VanDerWaalsContact O-CG 3.27Å; N564-Y568 PolarHBondContact O-N 2.75Å; A565-Y568 PolarHBondContact O-N 2.93Å; E566-Y568 PolarHBondContact O-N 2.86Å; Y568-E570 VanDerWaalsContact C-N 3.29Å; Y568-E570 PolarHBondContact O-N 3.46Å; Y568-E571 PolarHBondContact O-N 3.28Å; Y568-D572 WeakPolarHBondContact O-CB 3.42Å; Y568-D572 PolarHBondContact O-N 3.18Å
569	A	72.4	Confident	78.7	Confident	45 Å²	45	76 Å²	76	37%	0.372	35%	0.354	S	S	.	.	H	α-helix	trans	-60.7	-39.8	174.2	0	0	0	0	0	111.7	A565 E566 R573	A565-A569 WeakPolarHBondContact O-CB 3.22Å; A565-A569 PolarHBondContact O-N 2.84Å; E566-A569 PolarHBondContact O-N 2.87Å; A569-R573 WeakPolarHBondContact O-CB 3.36Å; A569-R573 PolarHBondContact O-N 3Å
570	E	79.1	Confident	78.3	Confident	58 Å²	58	75.8 Å²	75.8	27%	0.271	35%	0.353	S	S	.	.	H	α-helix	trans	-67.7	-40.9	174.3	176.2	59.7	-169.2	0	0	112.6	E566 K567 Y568 R573 R574	E566-E570 PolarHBondContact O-N 3.36Å; K567-E570 PolarHBondContact O-N 2.88Å; Y568-E570 VanDerWaalsContact C-N 3.29Å; Y568-E570 PolarHBondContact O-N 3.46Å; E570-R573 PolarHBondContact O-N 3.06Å; E570-R573 IonicContact OE1-CZ 3.23Å; E570-R573 IonicContact OE1-NE 2.67Å; E570-R573 IonicContact OE1-NH2 3.1Å; E570-R573 PolarHBondContact OE1-NH2 3.14Å; E570-R573 IonicContact OE2-CZ 2.84Å; E570-R573 IonicContact OE2-NE 2.77Å; E570-R573 PolarHBondContact OE2-NE 3.38Å; E570-R573 IonicContact OE2-NH2 3.12Å; E570-R573 PolarHBondContact OE2-NH2 2.77Å; E570-R574 WeakPolarHBondContact O-CG 3.38Å; E570-R574 PolarHBondContact O-N 2.99Å; E570-R574 IonicContact OE1-CZ 3.92Å; E570-R574 IonicContact OE1-NE 3.32Å; E570-R574 PolarHBondContact OE1-NE 2.97Å; E570-R574 IonicContact OE1-NH2 3.5Å; E570-R574 PolarHBondContact OE1-NH2 2.94Å; E570-R574 VanDerWaalsContact OE1-NH2 3.12Å
571	E	76.4	Confident	78.3	Confident	74 Å²	74	71.9 Å²	71.9	35%	0.346	33%	0.333	S	S	.	.	H	α-helix	trans	-61.8	-44.5	174	-73.3	176	-173.3	0	0	111.6	K567 Y568 R574 K575	K567-E571 WeakPolarHBondContact CE-OE1 3.26Å; K567-E571 WeakPolarHBondContact O-CG 3.44Å; K567-E571 PolarHBondContact O-N 2.86Å; Y568-E571 PolarHBondContact O-N 3.28Å; E571-R574 PolarHBondContact O-N 2.85Å; E571-K575 WeakPolarHBondContact O-CG 3.32Å; E571-K575 PolarHBondContact O-N 2.82Å
572	D	72.4	Confident	78.1	Confident	47 Å²	47	71.6 Å²	71.6	25%	0.251	33%	0.331	S	S	.	.	H	α-helix	trans	-63.7	-41.8	177.3	-68.3	-17.6	0	0	0	110.9	R99 Y568 K575 K576	R99-D572 IonicContact CZ-OD2 2.74Å; R99-D572 IonicContact NE-OD2 3.57Å; R99-D572 IonicContact NH2-OD2 2.79Å; R99-D572 PolarHBondContact NH2-OD2 3.01Å; Y568-D572 WeakPolarHBondContact O-CB 3.42Å; Y568-D572 PolarHBondContact O-N 3.18Å; D572-K575 PolarHBondContact O-N 2.6Å; D572-K576 WeakPolarHBondContact O-CB 3.34Å; D572-K576 PolarHBondContact O-N 2.88Å
573	R	78.4	Confident	78	Confident	129 Å²	129	74.8 Å²	74.8	49%	0.487	35%	0.347	S	S	.	.	H	α-helix	trans	-59	-48.6	174.7	-174.9	177.3	73.1	111.8	-5.6	111.8	A569 E570 K575 K576 E577	A569-R573 WeakPolarHBondContact O-CB 3.36Å; A569-R573 PolarHBondContact O-N 3Å; E570-R573 PolarHBondContact O-N 3.06Å; E570-R573 IonicContact OE1-CZ 3.23Å; E570-R573 IonicContact OE1-NE 2.67Å; E570-R573 IonicContact OE1-NH2 3.1Å; E570-R573 PolarHBondContact OE1-NH2 3.14Å; E570-R573 IonicContact OE2-CZ 2.84Å; E570-R573 IonicContact OE2-NE 2.77Å; E570-R573 PolarHBondContact OE2-NE 3.38Å; E570-R573 IonicContact OE2-NH2 3.12Å; E570-R573 PolarHBondContact OE2-NH2 2.77Å; R573-K575 VanDerWaalsContact C-N 3.32Å; R573-K575 PolarHBondContact O-N 3.39Å; R573-K576 PolarHBondContact O-N 3.34Å; R573-E577 IonicContact CZ-OE1 2.95Å; R573-E577 IonicContact NH1-OE1 2.96Å; R573-E577 PolarHBondContact NH1-OE1 3.5Å; R573-E577 WeakPolarHBondContact O-CG 3.36Å; R573-E577 PolarHBondContact O-N 2.99Å
574	R	80.8	Confident	77.7	Confident	158 Å²	158	72.9 Å²	72.9	60%	0.596	34%	0.341	S	S	*	.	H	α-helix	trans	-61.4	-40.6	177.8	-71.8	175.3	-173.7	-164.9	1	112.2	E570 E571 R578	E570-R574 WeakPolarHBondContact O-CG 3.38Å; E570-R574 PolarHBondContact O-N 2.99Å; E570-R574 IonicContact OE1-CZ 3.92Å; E570-R574 IonicContact OE1-NE 3.32Å; E570-R574 PolarHBondContact OE1-NE 2.97Å; E570-R574 IonicContact OE1-NH2 3.5Å; E570-R574 PolarHBondContact OE1-NH2 2.94Å; E570-R574 VanDerWaalsContact OE1-NH2 3.12Å; E571-R574 PolarHBondContact O-N 2.85Å; R574-R578 WeakPolarHBondContact O-CB 3.45Å; R574-R578 PolarHBondContact O-N 2.78Å
575	K	76.2	Confident	78.1	Confident	64 Å²	64	69.6 Å²	69.6	28%	0.278	32%	0.324	S	S	.	.	H	α-helix	trans	-63.7	-46.3	175.7	-74.4	174.9	-178.8	178.2	0	111.2	E571 D572 R573 R578 V579	E571-K575 WeakPolarHBondContact O-CG 3.32Å; E571-K575 PolarHBondContact O-N 2.82Å; D572-K575 PolarHBondContact O-N 2.6Å; R573-K575 VanDerWaalsContact C-N 3.32Å; R573-K575 PolarHBondContact O-N 3.39Å; K575-R578 WeakPolarHBondContact O-CB 3.34Å; K575-R578 PolarHBondContact O-N 3.08Å; K575-V579 WeakPolarHBondContact O-CG2 3.29Å; K575-V579 PolarHBondContact O-N 3.46Å
576	K	73.7	Confident	78.7	Confident	102 Å²	102	73.8 Å²	73.8	44%	0.443	34%	0.342	S	S	.	.	H	α-helix	trans	-56.8	-52	175.9	-179.2	179.4	178.2	178.6	0	111.3	E176 D572 R573 R578 V579 E580	E176-K576 IonicContact OE1-NZ 3.51Å; D572-K576 WeakPolarHBondContact O-CB 3.34Å; D572-K576 PolarHBondContact O-N 2.88Å; R573-K576 PolarHBondContact O-N 3.34Å; K576-R578 PolarHBondContact O-N 3.1Å; K576-V579 PolarHBondContact O-N 2.92Å; K576-V579 VanDerWaalsContact O-N 3.12Å; K576-E580 WeakPolarHBondContact CE-OE1 3.27Å; K576-E580 WeakPolarHBondContact O-CG 3.22Å; K576-E580 PolarHBondContact O-N 2.81Å
577	E	78.8	Confident	78.9	Confident	57 Å²	57	69.4 Å²	69.4	27%	0.266	33%	0.33	S	S	.	.	H	α-helix	trans	-57.4	-36.9	178.1	-74.2	-178.3	-156.1	0	0	112.5	R573 A581 R634	R573-E577 IonicContact CZ-OE1 2.95Å; R573-E577 IonicContact NH1-OE1 2.96Å; R573-E577 PolarHBondContact NH1-OE1 3.5Å; R573-E577 WeakPolarHBondContact O-CG 3.36Å; R573-E577 PolarHBondContact O-N 2.99Å; E577-A581 WeakPolarHBondContact O-CB 3.44Å; E577-A581 PolarHBondContact O-N 3.16Å; E577-R634 IonicContact OE2-NH2 2.9Å; E577-R634 PolarHBondContact OE2-NH2 2.99Å; E577-R634 VanDerWaalsContact OE2-NH2 3.14Å
578	R	82.9	Confident	79.3	Confident	53 Å²	53	64.3 Å²	64.3	20%	0.2	31%	0.309	C	S	.	.	H	α-helix	trans	-68.7	-44.9	176.3	-173.5	177.2	72.7	168	11.3	112.3	R574 K575 K576 E580 A581 V582 K625 D626 E628 I633	R574-R578 WeakPolarHBondContact O-CB 3.45Å; R574-R578 PolarHBondContact O-N 2.78Å; K575-R578 WeakPolarHBondContact O-CB 3.34Å; K575-R578 PolarHBondContact O-N 3.08Å; K576-R578 PolarHBondContact O-N 3.1Å; R578-E580 VanDerWaalsContact C-N 3.34Å; R578-A581 WeakPolarHBondContact O-CB 3.36Å; R578-A581 PolarHBondContact O-N 2.66Å; R578-V582 VanDerWaalsContact O-CG2 3.28Å; R578-V582 WeakPolarHBondContact O-CG2 3.29Å; R578-V582 PolarHBondContact O-N 3.16Å; R578-K625 WeakPolarHBondContact CD-O 3.37Å; R578-D626 IonicContact CZ-OD1 2.67Å; R578-D626 VanDerWaalsContact NH1-C 3.34Å; R578-D626 VanDerWaalsContact NH1-CA 3.32Å; R578-D626 PolarHBondContact NH1-O 3Å; R578-D626 IonicContact NH1-OD1 3.97Å; R578-D626 IonicContact NH2-OD1 2.81Å; R578-D626 PolarHBondContact NH2-OD1 3.37Å; R578-E628 VanDerWaalsContact CD-O 3.32Å; R578-E628 WeakPolarHBondContact CD-O 3.33Å; R578-I633 HydrophobicContact CG-CD1 4.16Å
579	V	76.3	Confident	80	Confident	78 Å²	78	61.6 Å²	61.6	47%	0.473	30%	0.299	S	S	.	.	H	α-helix	trans	-62.8	-42.8	176.9	171.7	0	0	0	0	110.7	K575 K576 A581 V582 N583	K575-V579 WeakPolarHBondContact O-CG2 3.29Å; K575-V579 PolarHBondContact O-N 3.46Å; K576-V579 PolarHBondContact O-N 2.92Å; K576-V579 VanDerWaalsContact O-N 3.12Å; V579-A581 VanDerWaalsContact C-N 3.34Å; V579-A581 PolarHBondContact O-N 3.15Å; V579-V582 PolarHBondContact O-N 2.97Å; V579-N583 VanDerWaalsContact O-CG 3.28Å; V579-N583 PolarHBondContact O-N 3.02Å
580	E	77.2	Confident	80.8	Confident	97 Å²	97	65 Å²	65	45%	0.453	31%	0.307	S	S	.	.	H	α-helix	trans	-60.6	-43.2	174.7	-72.3	172.7	177.1	0	0	111.9	K576 R578 V582 N583 M584	K576-E580 WeakPolarHBondContact CE-OE1 3.27Å; K576-E580 WeakPolarHBondContact O-CG 3.22Å; K576-E580 PolarHBondContact O-N 2.81Å; R578-E580 VanDerWaalsContact C-N 3.34Å; E580-V582 PolarHBondContact O-N 3.12Å; E580-N583 PolarHBondContact O-N 3.39Å; E580-M584 WeakPolarHBondContact O-CB 3.05Å; E580-M584 PolarHBondContact O-N 3.3Å
581	A	83.9	Confident	81.2	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.008	32%	0.318	C	S	.	.	H	α-helix	trans	-62.2	-41.4	175.7	0	0	0	0	0	112.5	E577 R578 V579 M584 A585 G630 I633 R634	E577-A581 WeakPolarHBondContact O-CB 3.44Å; E577-A581 PolarHBondContact O-N 3.16Å; R578-A581 WeakPolarHBondContact O-CB 3.36Å; R578-A581 PolarHBondContact O-N 2.66Å; V579-A581 VanDerWaalsContact C-N 3.34Å; V579-A581 PolarHBondContact O-N 3.15Å; A581-M584 PolarHBondContact O-N 3.02Å; A581-A585 WeakPolarHBondContact O-CB 3.38Å; A581-A585 PolarHBondContact O-N 3.47Å; A581-G630 VanDerWaalsContact CB-O 3.31Å; A581-G630 WeakPolarHBondContact CB-O 3.46Å; A581-I633 HydrophobicContact CB-CB 3.89Å; A581-I633 HydrophobicContact CB-CG2 3.77Å; A581-I633 WeakPolarHBondContact O-CG2 3.2Å; A581-R634 HydrophobicContact CB-CG 3.71Å
582	V	80.7	Confident	81.8	Confident	7 Å²	7	63.3 Å²	63.3	4%	0.042	30%	0.302	C	S	.	.	H	α-helix	trans	-62.5	-48.4	175.9	167	0	0	0	0	110.6	R578 V579 E580 M584 A585 E586 L622 K625 I633	R578-V582 VanDerWaalsContact O-CG2 3.28Å; R578-V582 WeakPolarHBondContact O-CG2 3.29Å; R578-V582 PolarHBondContact O-N 3.16Å; V579-V582 PolarHBondContact O-N 2.97Å; E580-V582 PolarHBondContact O-N 3.12Å; V582-M584 VanDerWaalsContact C-N 3.33Å; V582-M584 PolarHBondContact O-N 3.46Å; V582-A585 WeakPolarHBondContact O-CB 3.33Å; V582-A585 PolarHBondContact O-N 3.43Å; V582-E586 HydrophobicContact CG1-CG 4.43Å; V582-E586 WeakPolarHBondContact O-CG 3.28Å; V582-E586 PolarHBondContact O-N 2.84Å; V582-L622 HydrophobicContact CB-CD2 4.25Å; V582-L622 HydrophobicContact CG1-CD2 4.15Å; V582-L622 HydrophobicContact CG2-CD2 3.94Å; V582-K625 HydrophobicContact CG1-CD 4.2Å; V582-K625 HydrophobicContact CG2-CB 3.95Å; V582-K625 HydrophobicContact CG2-CD 4Å; V582-I633 HydrophobicContact CG2-CD1 3.82Å
583	N	79.3	Confident	82.7	Confident	96 Å²	96	64.3 Å²	64.3	51%	0.513	31%	0.305	S	S	.	.	H	α-helix	trans	-62.3	-41.5	179.2	-68	-15	0	0	0	111.7	V579 E580 E586 G587	V579-N583 VanDerWaalsContact O-CG 3.28Å; V579-N583 PolarHBondContact O-N 3.02Å; E580-N583 PolarHBondContact O-N 3.39Å; N583-E586 PolarHBondContact O-N 3.41Å; N583-G587 PolarHBondContact O-N 3.16Å
584	M	79.3	Confident	83.3	Confident	79 Å²	79	61.5 Å²	61.5	39%	0.389	30%	0.302	S	S	.	.	H	α-helix	trans	-60.6	-45.4	174.5	178.6	-178.6	175.9	0	0	111.4	E580 A581 V582 G587 I588	E580-M584 WeakPolarHBondContact O-CB 3.05Å; E580-M584 PolarHBondContact O-N 3.3Å; A581-M584 PolarHBondContact O-N 3.02Å; V582-M584 VanDerWaalsContact C-N 3.33Å; V582-M584 PolarHBondContact O-N 3.46Å; M584-G587 PolarHBondContact O-N 2.89Å; M584-I588 HydrophobicContact CE-CD1 3.83Å; M584-I588 HydrophobicContact CG-CD1 3.87Å; M584-I588 WeakPolarHBondContact O-CG1 3.44Å; M584-I588 PolarHBondContact O-N 3.31Å
585	A	86.5	Confident	83.6	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.8	-46.3	178.2	0	0	0	0	0	112.8	A581 V582 G587 I588 I589 M618 L622 I633 A637	A581-A585 WeakPolarHBondContact O-CB 3.38Å; A581-A585 PolarHBondContact O-N 3.47Å; V582-A585 WeakPolarHBondContact O-CB 3.33Å; V582-A585 PolarHBondContact O-N 3.43Å; A585-G587 VanDerWaalsContact C-N 3.32Å; A585-G587 PolarHBondContact O-N 3.41Å; A585-I588 PolarHBondContact O-N 2.98Å; A585-I589 VanDerWaalsContact O-CG1 3.31Å; A585-I589 WeakPolarHBondContact O-CG1 3.08Å; A585-I589 PolarHBondContact O-N 2.95Å; A585-M618 HydrophobicContact CB-CE 3.24Å; A585-L622 HydrophobicContact CB-CD1 4.09Å; A585-L622 HydrophobicContact CB-CD2 3.95Å; A585-L622 HydrophobicContact CB-CG 4.46Å; A585-I633 HydrophobicContact CB-CG2 4.14Å; A585-A637 HydrophobicContact CB-CB 4.01Å
586	E	86.2	Confident	84.1	Confident	93 Å²	93	56 Å²	56	44%	0.435	28%	0.283	S	S	.	.	H	α-helix	trans	-61.3	-41.4	176.8	-72.5	178.8	175.8	0	0	111.3	V582 N583 I589 H590 L622	V582-E586 HydrophobicContact CG1-CG 4.43Å; V582-E586 WeakPolarHBondContact O-CG 3.28Å; V582-E586 PolarHBondContact O-N 2.84Å; N583-E586 PolarHBondContact O-N 3.41Å; E586-I589 PolarHBondContact O-N 2.81Å; E586-H590 WeakPolarHBondContact O-CB 3.37Å; E586-H590 PolarHBondContact O-N 2.96Å; E586-L622 HydrophobicContact CG-CD1 3.82Å
587	G	82.9	Confident	84.8	Confident	32 Å²	32	56.8 Å²	56.8	33%	0.33	29%	0.288	S	S	.	.	H	α-helix	trans	-60.5	-47.3	173.2	0	0	0	0	0	112.8	N583 M584 A585 I589 H590 D591	N583-G587 PolarHBondContact O-N 3.16Å; M584-G587 PolarHBondContact O-N 2.89Å; A585-G587 VanDerWaalsContact C-N 3.32Å; A585-G587 PolarHBondContact O-N 3.41Å; G587-I589 VanDerWaalsContact C-N 3.35Å; G587-I589 PolarHBondContact O-N 2.77Å; G587-H590 PolarHBondContact O-N 2.85Å; G587-D591 WeakPolarHBondContact O-CB 3.39Å; G587-D591 PolarHBondContact O-N 3.22Å
588	I	87.3	Confident	85.1	Confident	16 Å²	16	60.3 Å²	60.3	8%	0.082	31%	0.305	C	S	.	.	H	α-helix	trans	-62.4	-41.4	177.6	-71.7	162.1	0	0	0	111.5	M584 A585 T592 A637 L640 Q641	M584-I588 HydrophobicContact CE-CD1 3.83Å; M584-I588 HydrophobicContact CG-CD1 3.87Å; M584-I588 WeakPolarHBondContact O-CG1 3.44Å; M584-I588 PolarHBondContact O-N 3.31Å; A585-I588 PolarHBondContact O-N 2.98Å; I588-T592 WeakPolarHBondContact O-CB 3.45Å; I588-T592 PolarHBondContact O-N 3.19Å; I588-T592 PolarHBondContact O-OG1 3.28Å; I588-A637 HydrophobicContact CD1-CB 3.97Å; I588-L640 HydrophobicContact CG2-CB 4.42Å; I588-L640 HydrophobicContact CG2-CD2 3.94Å; I588-L640 HydrophobicContact CG2-CG 3.95Å; I588-Q641 HydrophobicContact CD1-CB 4.15Å; I588-Q641 HydrophobicContact CG2-CB 4.09Å
589	I	90.2	Very high	85.2	Confident	8 Å²	8	58.9 Å²	58.9	4%	0.041	30%	0.3	C	S	.	.	H	α-helix	trans	-58.6	-51.8	175.3	-72	165	0	0	0	109.5	A585 E586 G587 D591 T592 E593 I615 M618 R619 L622 L640	A585-I589 VanDerWaalsContact O-CG1 3.31Å; A585-I589 WeakPolarHBondContact O-CG1 3.08Å; A585-I589 PolarHBondContact O-N 2.95Å; E586-I589 PolarHBondContact O-N 2.81Å; G587-I589 VanDerWaalsContact C-N 3.35Å; G587-I589 PolarHBondContact O-N 2.77Å; I589-D591 PolarHBondContact O-N 3.39Å; I589-T592 PolarHBondContact O-N 2.8Å; I589-E593 HydrophobicContact CG2-CG 4.4Å; I589-E593 WeakPolarHBondContact O-CB 3.47Å; I589-E593 WeakPolarHBondContact O-CG 3.28Å; I589-E593 PolarHBondContact O-N 3.17Å; I589-I615 HydrophobicContact CG2-CG2 3.85Å; I589-M618 HydrophobicContact CD1-CB 4.04Å; I589-M618 HydrophobicContact CD1-CG 3.79Å; I589-M618 HydrophobicContact CG1-CB 4.4Å; I589-M618 HydrophobicContact CG1-CG 4.23Å; I589-R619 HydrophobicContact CD1-CG 4.13Å; I589-L622 HydrophobicContact CD1-CD1 3.73Å; I589-L640 HydrophobicContact CG1-CD2 3.76Å
590	H	89.3	Confident	85.5	Confident	117 Å²	117	60.9 Å²	60.9	54%	0.542	30%	0.303	S	S	.	.	H	α-helix	trans	-61.3	-46.8	-177.8	-178	62.8	0	0	0	112.8	E586 G587 T592 E593 T594	E586-H590 WeakPolarHBondContact O-CB 3.37Å; E586-H590 PolarHBondContact O-N 2.96Å; G587-H590 PolarHBondContact O-N 2.85Å; H590-T592 VanDerWaalsContact C-N 3.31Å; H590-T592 PolarHBondContact O-N 3Å; H590-E593 PolarHBondContact O-N 2.71Å; H590-T594 WeakPolarHBondContact O-CB 3.48Å; H590-T594 PolarHBondContact O-N 2.95Å; H590-T594 PolarHBondContact O-OG1 3.48Å
591	D	86.2	Confident	85.7	Confident	92 Å²	92	63.3 Å²	63.3	49%	0.492	32%	0.319	S	S	.	.	H	α-helix	trans	-62.3	-40.7	177.9	-77.6	-6.9	0	0	0	111.6	G587 I589 K595	G587-D591 WeakPolarHBondContact O-CB 3.39Å; G587-D591 PolarHBondContact O-N 3.22Å; I589-D591 PolarHBondContact O-N 3.39Å; D591-K595 WeakPolarHBondContact O-CB 3.48Å; D591-K595 WeakPolarHBondContact O-CG 2.86Å; D591-K595 PolarHBondContact O-N 2.87Å
592	T	89.9	Confident	85.7	Confident	3 Å²	3	65.8 Å²	65.8	2%	0.018	33%	0.33	C	S	.	.	H	α-helix	trans	-66.9	-48.3	179.1	-58.7	0	0	0	0	110.5	I588 I589 H590 T594 K595 M596 L611 I615 F648	I588-T592 WeakPolarHBondContact O-CB 3.45Å; I588-T592 PolarHBondContact O-N 3.19Å; I588-T592 PolarHBondContact O-OG1 3.28Å; I589-T592 PolarHBondContact O-N 2.8Å; H590-T592 VanDerWaalsContact C-N 3.31Å; H590-T592 PolarHBondContact O-N 3Å; T592-T594 VanDerWaalsContact C-N 3.34Å; T592-T594 PolarHBondContact O-N 3.45Å; T592-K595 PolarHBondContact O-N 2.63Å; T592-M596 HydrophobicContact CG2-CG 4.33Å; T592-M596 HydrophobicContact CG2-SD 4.06Å; T592-M596 WeakPolarHBondContact O-CB 3.03Å; T592-M596 WeakPolarHBondContact O-CG 3.17Å; T592-M596 PolarHBondContact O-N 3.41Å; T592-L611 HydrophobicContact CG2-CD1 4.38Å; T592-L611 HydrophobicContact CG2-CD2 3.53Å; T592-L611 HydrophobicContact CG2-CG 3.92Å; T592-I615 HydrophobicContact CG2-CD1 3.99Å; T592-F648 HydrophobicContact CG2-CE2 4.49Å
593	E	91	Very high	85.7	Confident	69 Å²	69	66.1 Å²	66.1	32%	0.322	33%	0.332	S	S	.	.	H	α-helix	trans	-59.8	-43.2	177.2	-73.3	-177.1	136.6	0	0	112	I589 H590 M596 E597 I615 R619	I589-E593 HydrophobicContact CG2-CG 4.4Å; I589-E593 WeakPolarHBondContact O-CB 3.47Å; I589-E593 WeakPolarHBondContact O-CG 3.28Å; I589-E593 PolarHBondContact O-N 3.17Å; H590-E593 PolarHBondContact O-N 2.71Å; E593-M596 PolarHBondContact O-N 2.79Å; E593-E597 PolarHBondContact O-N 3.4Å; E593-E597 VanDerWaalsContact O-N 3.09Å; E593-I615 HydrophobicContact CG-CD1 3.87Å; E593-R619 IonicContact OE1-CZ 3.74Å; E593-R619 VanDerWaalsContact OE1-CZ 3.27Å; E593-R619 IonicContact OE1-NH1 3.76Å; E593-R619 PolarHBondContact OE1-NH1 2.88Å; E593-R619 IonicContact OE1-NH2 3.28Å; E593-R619 PolarHBondContact OE1-NH2 2.49Å; E593-R619 IonicContact OE2-CZ 3.34Å; E593-R619 IonicContact OE2-NH2 3.47Å; E593-R619 PolarHBondContact OE2-NH2 3.34Å
594	T	90.2	Very high	86	Confident	69 Å²	69	64 Å²	64	42%	0.423	32%	0.323	S	S	.	.	H	α-helix	trans	-60.8	-50.3	179.1	-59.2	0	0	0	0	111.3	H590 T592 M596 E597 E598	H590-T594 WeakPolarHBondContact O-CB 3.48Å; H590-T594 PolarHBondContact O-N 2.95Å; H590-T594 PolarHBondContact O-OG1 3.48Å; T592-T594 VanDerWaalsContact C-N 3.34Å; T592-T594 PolarHBondContact O-N 3.45Å; T594-M596 VanDerWaalsContact C-N 3.32Å; T594-M596 PolarHBondContact O-N 3.31Å; T594-E597 PolarHBondContact O-N 2.94Å; T594-E598 PolarHBondContact O-N 2.99Å
595	K	86.9	Confident	86.2	Confident	91 Å²	91	63.6 Å²	63.6	40%	0.396	33%	0.332	S	S	.	.	H	α-helix	trans	-67.3	-32.5	178.8	-71.4	176	-179.7	174.3	0	112.5	D591 T592 E597 E598 F599 F648	D591-K595 WeakPolarHBondContact O-CB 3.48Å; D591-K595 WeakPolarHBondContact O-CG 2.86Å; D591-K595 PolarHBondContact O-N 2.87Å; T592-K595 PolarHBondContact O-N 2.63Å; K595-E597 VanDerWaalsContact C-N 3.29Å; K595-E597 PolarHBondContact O-N 3.02Å; K595-E598 PolarHBondContact O-N 3.46Å; K595-F599 HydrophobicContact CB-CD2 4.38Å; K595-F599 VanDerWaalsContact O-CD2 3.24Å; K595-F599 WeakPolarHBondContact O-CD2 3.29Å; K595-F599 PolarHBondContact O-N 2.7Å; K595-F648 HydrophobicContact CB-CD1 4.22Å; K595-F648 HydrophobicContact CB-CD2 4.43Å; K595-F648 HydrophobicContact CB-CE1 3.46Å; K595-F648 VanDerWaalsContact CB-CE1 3.46Å; K595-F648 HydrophobicContact CB-CE2 3.71Å; K595-F648 HydrophobicContact CB-CZ 3.18Å; K595-F648 HydrophobicContact CD-CD2 4.14Å; K595-F648 HydrophobicContact CD-CE2 3.9Å; K595-F648 HydrophobicContact CD-CZ 4.26Å; K595-F648 HydrophobicContact CG-CE2 4.48Å; K595-F648 HydrophobicContact CG-CZ 4.36Å
596	M	87.9	Confident	86.1	Confident	15 Å²	15	69.5 Å²	69.5	7%	0.074	36%	0.363	C	S	.	.	H	α-helix	trans	-64.1	-35.5	174.4	-76.8	-177.9	76.7	0	0	112.1	T592 E593 T594 K600 C608 L611 K612 I615 F648	T592-M596 HydrophobicContact CG2-CG 4.33Å; T592-M596 HydrophobicContact CG2-SD 4.06Å; T592-M596 WeakPolarHBondContact O-CB 3.03Å; T592-M596 WeakPolarHBondContact O-CG 3.17Å; T592-M596 PolarHBondContact O-N 3.41Å; E593-M596 PolarHBondContact O-N 2.79Å; T594-M596 VanDerWaalsContact C-N 3.32Å; T594-M596 PolarHBondContact O-N 3.31Å; M596-K600 WeakPolarHBondContact O-CA 3.33Å; M596-K600 PolarHBondContact O-N 3.09Å; M596-C608 HydrophobicContact CE-CB 3.83Å; M596-C608 WeakPolarHBondContact CE-O 3.17Å; M596-L611 HydrophobicContact CE-CB 4.19Å; M596-L611 HydrophobicContact CE-CD2 4.4Å; M596-L611 HydrophobicContact CG-CD2 4.14Å; M596-L611 HydrophobicContact SD-CB 4.19Å; M596-L611 HydrophobicContact SD-CD2 3.65Å; M596-L611 HydrophobicContact SD-CG 3.95Å; M596-K612 HydrophobicContact CE-CG 3.97Å; M596-I615 HydrophobicContact SD-CD1 4.05Å; M596-F648 HydrophobicContact CG-CE1 4.35Å; M596-F648 HydrophobicContact CG-CZ 3.93Å
597	E	87.3	Confident	86	Confident	119 Å²	119	68.3 Å²	68.3	56%	0.556	36%	0.358	S	S	*	.	H	α-helix	trans	-76	-38.5	174.8	-165.4	63.9	-159.7	0	0	111.6	E593 T594 K595 F599 K600	E593-E597 PolarHBondContact O-N 3.4Å; E593-E597 VanDerWaalsContact O-N 3.09Å; T594-E597 PolarHBondContact O-N 2.94Å; K595-E597 VanDerWaalsContact C-N 3.29Å; K595-E597 PolarHBondContact O-N 3.02Å; E597-F599 PolarHBondContact O-N 3.21Å; E597-K600 WeakPolarHBondContact O-CB 3.44Å; E597-K600 PolarHBondContact O-N 2.95Å; E597-K600 IonicContact OE1-NZ 2.77Å; E597-K600 PolarHBondContact OE1-NZ 2.96Å; E597-K600 IonicContact OE2-NZ 2.82Å; E597-K600 PolarHBondContact OE2-NZ 2.88Å
598	E	85.9	Confident	86.1	Confident	131 Å²	131	67.5 Å²	67.5	61%	0.612	35%	0.347	S	S	*	.	H	α-helix	trans	-60.5	-42.4	176.7	-173	-179.5	175.4	0	0	112.5	T594 K595	T594-E598 PolarHBondContact O-N 2.99Å; K595-E598 PolarHBondContact O-N 3.46Å
599	F	84.4	Confident	86.1	Confident	24 Å²	24	70.7 Å²	70.7	11%	0.105	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	18	-176.7	-61.1	-63.8	0	0	0	114.1	K595 E597 D601 Q602 L603 F648 Y652 M655	K595-F599 HydrophobicContact CB-CD2 4.38Å; K595-F599 VanDerWaalsContact O-CD2 3.24Å; K595-F599 WeakPolarHBondContact O-CD2 3.29Å; K595-F599 PolarHBondContact O-N 2.7Å; E597-F599 PolarHBondContact O-N 3.21Å; F599-D601 PolarHBondContact O-N 2.91Å; F599-D601 VanDerWaalsContact O-N 3.1Å; F599-Q602 VanDerWaalsContact C-OE1 3.25Å; F599-Q602 PolarHBondContact O-N 3.11Å; F599-Q602 PolarHBondContact O-OE1 3.06Å; F599-L603 HydrophobicContact CB-CD1 3.83Å; F599-L603 HydrophobicContact CB-CG 3.93Å; F599-L603 WeakPolarHBondContact O-CG 3.36Å; F599-L603 PolarHBondContact O-N 2.81Å; F599-L603 VanDerWaalsContact O-N 3.13Å; F599-F648 AromaticContact CD2-CD1 3.98Å; F599-F648 HydrophobicContact CD2-CD1 3.98Å; F599-F648 HydrophobicContact CD2-CE1 4.16Å; F599-Y652 HydrophobicContact CZ-CE2 4.41Å; F599-M655 HydrophobicContact CD1-CE 3.25Å; F599-M655 HydrophobicContact CE1-CE 3.53Å; F599-M655 HydrophobicContact CE1-SD 4.46Å; F599-M655 HydrophobicContact CG-CE 4.24Å
600	K	83.4	Confident	86	Confident	120 Å²	120	75.5 Å²	75.5	52%	0.522	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-37.9	-171	-174.2	-179.5	-168.3	164.2	0	114.2	M596 E597	M596-K600 WeakPolarHBondContact O-CA 3.33Å; M596-K600 PolarHBondContact O-N 3.09Å; E597-K600 WeakPolarHBondContact O-CB 3.44Å; E597-K600 PolarHBondContact O-N 2.95Å; E597-K600 IonicContact OE1-NZ 2.77Å; E597-K600 PolarHBondContact OE1-NZ 2.96Å; E597-K600 IonicContact OE2-NZ 2.82Å; E597-K600 PolarHBondContact OE2-NZ 2.88Å
601	D	82.2	Confident	86.1	Confident	147 Å²	147	70.1 Å²	70.1	79%	0.786	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-19.5	-178.4	-63	-33.4	0	0	0	113.2	F599	F599-D601 PolarHBondContact O-N 2.91Å; F599-D601 VanDerWaalsContact O-N 3.1Å
602	Q	82.1	Confident	86.3	Confident	53 Å²	53	71.7 Å²	71.7	25%	0.248	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-11.2	-178.2	-57.1	85.4	18.9	0	0	113.1	F599 M655	F599-Q602 VanDerWaalsContact C-OE1 3.25Å; F599-Q602 PolarHBondContact O-N 3.11Å; F599-Q602 PolarHBondContact O-OE1 3.06Å; Q602-M655 HydrophobicContact CB-CE 3.97Å; Q602-M655 HydrophobicContact CG-CE 3.88Å; Q602-M655 HydrophobicContact CG-CG 4.11Å; Q602-M655 HydrophobicContact CG-SD 4.31Å
603	L	82.2	Confident	86.4	Confident	15 Å²	15	77.1 Å²	77.1	8%	0.079	39%	0.388	C	S	.	.	S	Bend	trans	-91.7	140.5	-175	-71.3	170.2	0	0	0	113.3	F599 A605 C608 L647 F648 A651	F599-L603 HydrophobicContact CB-CD1 3.83Å; F599-L603 HydrophobicContact CB-CG 3.93Å; F599-L603 WeakPolarHBondContact O-CG 3.36Å; F599-L603 PolarHBondContact O-N 2.81Å; F599-L603 VanDerWaalsContact O-N 3.13Å; L603-A605 PolarHBondContact O-N 2.92Å; L603-C608 WeakPolarHBondContact CB-SG 3.48Å; L603-L647 HydrophobicContact CD1-CD2 4.49Å; L603-L647 HydrophobicContact CD2-CD1 3.65Å; L603-L647 HydrophobicContact CD2-CD2 4.1Å; L603-L647 HydrophobicContact CD2-CG 3.57Å; L603-F648 HydrophobicContact CD1-CE1 4.15Å; L603-F648 HydrophobicContact CD2-CD1 4.46Å; L603-A651 HydrophobicContact CD2-CB 3.73Å; L603-A651 HydrophobicContact CG-CB 4.44Å
604	P	84.7	Confident	86.4	Confident	52 Å²	52	77.1 Å²	77.1	34%	0.338	39%	0.388	S	S	.	.			trans	-64	130.3	171.7	-17.9	30.5	0	0	0	111.5	D606 E607 C608 M650	P604-D606 VanDerWaalsContact C-N 3.32Å; P604-D606 PolarHBondContact O-N 2.84Å; P604-E607 HydrophobicContact CB-CB 4.28Å; P604-E607 HydrophobicContact CB-CG 4.23Å; P604-E607 HydrophobicContact CG-CG 4.48Å; P604-E607 PolarHBondContact O-N 2.82Å; P604-C608 PolarHBondContact O-N 3.08Å; P604-C608 PolarHBondContact O-SG 3.07Å; P604-C608 VanDerWaalsContact O-SG 3.39Å; P604-M650 HydrophobicContact CG-CE 4.43Å
605	A	83.7	Confident	86.5	Confident	69 Å²	69	74 Å²	74	57%	0.57	37%	0.369	S	S	*	.	H	α-helix	trans	-59	-40.6	-178.6	0	0	0	0	0	112.8	L603 E607 C608 N609	L603-A605 PolarHBondContact O-N 2.92Å; A605-E607 PolarHBondContact O-N 3.43Å; A605-C608 WeakPolarHBondContact O-CB 3.32Å; A605-C608 PolarHBondContact O-N 3.34Å; A605-N609 VanDerWaalsContact O-CG 3.28Å; A605-N609 PolarHBondContact O-N 2.9Å; A605-N609 PolarHBondContact O-ND2 2.66Å
606	D	84.2	Confident	86.9	Confident	124 Å²	124	72.4 Å²	72.4	66%	0.663	37%	0.369	S	S	*	.	H	α-helix	trans	-65.3	-40	-179.5	-66.1	-23.4	0	0	0	112.4	P604 N609 K610	P604-D606 VanDerWaalsContact C-N 3.32Å; P604-D606 PolarHBondContact O-N 2.84Å; D606-N609 PolarHBondContact O-N 3.34Å; D606-K610 WeakPolarHBondContact O-CG 3.42Å; D606-K610 PolarHBondContact O-N 3.21Å
607	E	84.7	Confident	87.1	Confident	68 Å²	68	76.8 Å²	76.8	32%	0.318	39%	0.387	S	S	.	.	H	α-helix	trans	-74.1	-33.4	177.4	-64.6	-61.3	141.4	0	0	111.8	P604 A605 N609 K610 L611 L647	P604-E607 HydrophobicContact CB-CB 4.28Å; P604-E607 HydrophobicContact CB-CG 4.23Å; P604-E607 HydrophobicContact CG-CG 4.48Å; P604-E607 PolarHBondContact O-N 2.82Å; A605-E607 PolarHBondContact O-N 3.43Å; E607-N609 VanDerWaalsContact C-N 3.32Å; E607-N609 PolarHBondContact O-N 3.04Å; E607-K610 PolarHBondContact O-N 3.29Å; E607-K610 IonicContact OE1-NZ 3.12Å; E607-K610 PolarHBondContact OE1-NZ 2.93Å; E607-K610 IonicContact OE2-NZ 3.14Å; E607-L611 PolarHBondContact O-N 2.8Å; E607-L647 HydrophobicContact CB-CD1 3.52Å; E607-L647 HydrophobicContact CG-CD1 4.44Å
608	C	84.7	Confident	87.3	Confident	16 Å²	16	71.4 Å²	71.4	11%	0.108	36%	0.362	C	S	.	.	H	α-helix	trans	-62	-39.8	170.8	-73.3	0	0	0	0	112.4	M596 L603 P604 A605 L611 K612	M596-C608 HydrophobicContact CE-CB 3.83Å; M596-C608 WeakPolarHBondContact CE-O 3.17Å; L603-C608 WeakPolarHBondContact CB-SG 3.48Å; P604-C608 PolarHBondContact O-N 3.08Å; P604-C608 PolarHBondContact O-SG 3.07Å; P604-C608 VanDerWaalsContact O-SG 3.39Å; A605-C608 WeakPolarHBondContact O-CB 3.32Å; A605-C608 PolarHBondContact O-N 3.34Å; C608-L611 PolarHBondContact O-N 3.44Å; C608-K612 WeakPolarHBondContact O-CG 3.46Å; C608-K612 PolarHBondContact O-N 2.95Å
609	N	87.9	Confident	87.6	Confident	82 Å²	82	71.1 Å²	71.1	44%	0.439	36%	0.356	S	S	.	.	H	α-helix	trans	-66.2	-43.5	178.4	-70.6	-22.7	0	0	0	111.3	A605 D606 E607 L611 K612 E613	A605-N609 VanDerWaalsContact O-CG 3.28Å; A605-N609 PolarHBondContact O-N 2.9Å; A605-N609 PolarHBondContact O-ND2 2.66Å; D606-N609 PolarHBondContact O-N 3.34Å; E607-N609 VanDerWaalsContact C-N 3.32Å; E607-N609 PolarHBondContact O-N 3.04Å; N609-L611 VanDerWaalsContact C-N 3.32Å; N609-L611 PolarHBondContact O-N 2.92Å; N609-K612 PolarHBondContact O-N 2.81Å; N609-E613 PolarHBondContact O-N 2.85Å
610	K	88.1	Confident	88	Confident	109 Å²	109	76 Å²	76	47%	0.474	38%	0.379	S	S	.	.	H	α-helix	trans	-58.1	-43	173.8	-68.5	173.6	-169.5	168.7	0	112.2	D606 E607 E613 E614	D606-K610 WeakPolarHBondContact O-CG 3.42Å; D606-K610 PolarHBondContact O-N 3.21Å; E607-K610 PolarHBondContact O-N 3.29Å; E607-K610 IonicContact OE1-NZ 3.12Å; E607-K610 PolarHBondContact OE1-NZ 2.93Å; E607-K610 IonicContact OE2-NZ 3.14Å; K610-E613 WeakPolarHBondContact O-CB 3.45Å; K610-E613 PolarHBondContact O-N 2.83Å; K610-E614 PolarHBondContact O-N 2.98Å; K610-E614 VanDerWaalsContact O-N 3.09Å
611	L	89.7	Confident	88.4	Confident	5 Å²	5	71.2 Å²	71.2	3%	0.026	36%	0.359	C	S	.	.	H	α-helix	trans	-69.6	-35.1	-179.6	-164.6	60.1	0	0	0	112.3	T592 M596 E607 C608 N609 E613 E614 I615 L640 A643 L647	T592-L611 HydrophobicContact CG2-CD1 4.38Å; T592-L611 HydrophobicContact CG2-CD2 3.53Å; T592-L611 HydrophobicContact CG2-CG 3.92Å; M596-L611 HydrophobicContact CE-CB 4.19Å; M596-L611 HydrophobicContact CE-CD2 4.4Å; M596-L611 HydrophobicContact CG-CD2 4.14Å; M596-L611 HydrophobicContact SD-CB 4.19Å; M596-L611 HydrophobicContact SD-CD2 3.65Å; M596-L611 HydrophobicContact SD-CG 3.95Å; E607-L611 PolarHBondContact O-N 2.8Å; C608-L611 PolarHBondContact O-N 3.44Å; N609-L611 VanDerWaalsContact C-N 3.32Å; N609-L611 PolarHBondContact O-N 2.92Å; L611-E613 VanDerWaalsContact C-N 3.34Å; L611-E614 PolarHBondContact O-N 3.03Å; L611-I615 WeakPolarHBondContact O-CG1 3.27Å; L611-I615 PolarHBondContact O-N 3.37Å; L611-L640 HydrophobicContact CD1-CD1 3.73Å; L611-A643 HydrophobicContact CD1-CB 3.78Å; L611-L647 HydrophobicContact CB-CD2 4.3Å; L611-L647 HydrophobicContact CD2-CB 4.38Å; L611-L647 HydrophobicContact CD2-CD2 3.41Å; L611-L647 VanDerWaalsContact CD2-CD2 3.41Å; L611-L647 HydrophobicContact CD2-CG 4.49Å
612	K	90.6	Very high	88.8	Confident	124 Å²	124	65 Å²	65	54%	0.539	33%	0.326	S	S	.	.	H	α-helix	trans	-62.9	-38.6	171.2	-76.1	173	-178.3	176.3	0	112.5	M596 C608 N609 I615 S616	M596-K612 HydrophobicContact CE-CG 3.97Å; C608-K612 WeakPolarHBondContact O-CG 3.46Å; C608-K612 PolarHBondContact O-N 2.95Å; N609-K612 PolarHBondContact O-N 2.81Å; K612-I615 PolarHBondContact O-N 3.07Å; K612-S616 PolarHBondContact O-N 2.96Å
613	E	91.9	Very high	89.2	Confident	117 Å²	117	66.8 Å²	66.8	55%	0.547	35%	0.35	S	S	.	.	H	α-helix	trans	-63.1	-43.7	173.7	-72.4	177.5	-174.2	0	0	111.6	N609 K610 L611 S616 K617	N609-E613 PolarHBondContact O-N 2.85Å; K610-E613 WeakPolarHBondContact O-CB 3.45Å; K610-E613 PolarHBondContact O-N 2.83Å; L611-E613 VanDerWaalsContact C-N 3.34Å; E613-S616 WeakPolarHBondContact O-CB 3.1Å; E613-S616 PolarHBondContact O-N 2.76Å; E613-K617 WeakPolarHBondContact O-CG 3.46Å; E613-K617 PolarHBondContact O-N 2.97Å
614	E	92	Very high	89.6	Confident	69 Å²	69	72.9 Å²	72.9	32%	0.322	37%	0.371	S	S	.	.	H	α-helix	trans	-63.9	-38.9	175.6	-68.7	-58	134.2	0	0	112.5	K610 L611 S616 K617 M618 L640	K610-E614 PolarHBondContact O-N 2.98Å; K610-E614 VanDerWaalsContact O-N 3.09Å; L611-E614 PolarHBondContact O-N 3.03Å; E614-S616 VanDerWaalsContact C-N 3.33Å; E614-S616 PolarHBondContact O-N 3.14Å; E614-K617 PolarHBondContact O-N 3.06Å; E614-K617 IonicContact OE1-NZ 3.32Å; E614-K617 PolarHBondContact OE1-NZ 3.01Å; E614-M618 WeakPolarHBondContact O-CB 3.38Å; E614-M618 PolarHBondContact O-N 3.09Å; E614-L640 HydrophobicContact CB-CD1 3.92Å
615	I	92.8	Very high	89.5	Confident	5 Å²	5	74.2 Å²	74.2	3%	0.026	37%	0.372	C	S	.	.	H	α-helix	trans	-61	-43	171.7	-70.1	163.4	0	0	0	110.8	I589 T592 E593 M596 L611 K612 M618 R619 L640	I589-I615 HydrophobicContact CG2-CG2 3.85Å; T592-I615 HydrophobicContact CG2-CD1 3.99Å; E593-I615 HydrophobicContact CG-CD1 3.87Å; M596-I615 HydrophobicContact SD-CD1 4.05Å; L611-I615 WeakPolarHBondContact O-CG1 3.27Å; L611-I615 PolarHBondContact O-N 3.37Å; K612-I615 PolarHBondContact O-N 3.07Å; I615-M618 PolarHBondContact O-N 2.89Å; I615-R619 WeakPolarHBondContact O-CG 3.32Å; I615-R619 PolarHBondContact O-N 2.9Å; I615-L640 HydrophobicContact CG1-CD1 3.85Å; I615-L640 HydrophobicContact CG1-CD2 4.24Å
616	S	93.9	Very high	89.2	Confident	57 Å²	57	76.4 Å²	76.4	40%	0.399	37%	0.374	S	S	.	.	H	α-helix	trans	-62.5	-46.5	177.5	-164.8	0	0	0	0	111.6	K612 E613 E614 M618 R619 E620	K612-S616 PolarHBondContact O-N 2.96Å; E613-S616 WeakPolarHBondContact O-CB 3.1Å; E613-S616 PolarHBondContact O-N 2.76Å; E614-S616 VanDerWaalsContact C-N 3.33Å; E614-S616 PolarHBondContact O-N 3.14Å; S616-M618 VanDerWaalsContact C-N 3.27Å; S616-M618 PolarHBondContact O-N 3.44Å; S616-R619 WeakPolarHBondContact O-CB 3.49Å; S616-R619 PolarHBondContact O-N 3.05Å; S616-R619 VanDerWaalsContact O-N 3.15Å; S616-E620 WeakPolarHBondContact O-CG 3.34Å; S616-E620 PolarHBondContact O-N 2.92Å
617	K	92.5	Very high	89.1	Confident	106 Å²	106	75 Å²	75	46%	0.461	37%	0.374	S	S	.	.	H	α-helix	trans	-58.7	-40.5	174.8	-69.8	173.4	-167.3	167.5	0	111.6	E613 E614 E620 L621	E613-K617 WeakPolarHBondContact O-CG 3.46Å; E613-K617 PolarHBondContact O-N 2.97Å; E614-K617 PolarHBondContact O-N 3.06Å; E614-K617 IonicContact OE1-NZ 3.32Å; E614-K617 PolarHBondContact OE1-NZ 3.01Å; K617-E620 PolarHBondContact O-N 3.3Å; K617-L621 PolarHBondContact O-N 2.92Å
618	M	91.8	Very high	89.2	Confident	6 Å²	6	73.4 Å²	73.4	3%	0.03	37%	0.366	C	S	.	.	H	α-helix	trans	-65.5	-42.1	177	-164.1	62.3	-164.8	0	0	111.4	A585 I589 E614 I615 S616 E620 L621 L622 I633 A636 A637 L640	A585-M618 HydrophobicContact CB-CE 3.24Å; I589-M618 HydrophobicContact CD1-CB 4.04Å; I589-M618 HydrophobicContact CD1-CG 3.79Å; I589-M618 HydrophobicContact CG1-CB 4.4Å; I589-M618 HydrophobicContact CG1-CG 4.23Å; E614-M618 WeakPolarHBondContact O-CB 3.38Å; E614-M618 PolarHBondContact O-N 3.09Å; I615-M618 PolarHBondContact O-N 2.89Å; S616-M618 VanDerWaalsContact C-N 3.27Å; S616-M618 PolarHBondContact O-N 3.44Å; M618-E620 PolarHBondContact O-N 3.01Å; M618-L621 HydrophobicContact CE-CD2 4.06Å; M618-L621 WeakPolarHBondContact O-CB 3.37Å; M618-L621 PolarHBondContact O-N 3Å; M618-L621 HydrophobicContact SD-CD2 3.96Å; M618-L622 HydrophobicContact CE-CD2 4.25Å; M618-L622 HydrophobicContact CE-CG 4.39Å; M618-L622 VanDerWaalsContact O-CG 3.28Å; M618-L622 WeakPolarHBondContact O-CG 3.22Å; M618-L622 PolarHBondContact O-N 3.45Å; M618-I633 HydrophobicContact CE-CG2 3.76Å; M618-I633 WeakPolarHBondContact CE-O 3.22Å; M618-A636 HydrophobicContact CE-CB 4.08Å; M618-A636 HydrophobicContact SD-CB 3.51Å; M618-A636 VanDerWaalsContact SD-CB 3.51Å; M618-A637 HydrophobicContact CE-CB 3.97Å; M618-L640 HydrophobicContact CB-CD2 4.17Å; M618-L640 HydrophobicContact CG-CD2 4.25Å
619	R	92.9	Very high	89.3	Confident	126 Å²	126	76.1 Å²	76.1	48%	0.475	38%	0.383	S	S	.	.	H	α-helix	trans	-62.3	-40.2	174.5	-74.8	-180	170.2	161.5	2.5	112.7	I589 E593 I615 S616 L622 A623	I589-R619 HydrophobicContact CD1-CG 4.13Å; E593-R619 IonicContact OE1-CZ 3.74Å; E593-R619 VanDerWaalsContact OE1-CZ 3.27Å; E593-R619 IonicContact OE1-NH1 3.76Å; E593-R619 PolarHBondContact OE1-NH1 2.88Å; E593-R619 IonicContact OE1-NH2 3.28Å; E593-R619 PolarHBondContact OE1-NH2 2.49Å; E593-R619 IonicContact OE2-CZ 3.34Å; E593-R619 IonicContact OE2-NH2 3.47Å; E593-R619 PolarHBondContact OE2-NH2 3.34Å; I615-R619 WeakPolarHBondContact O-CG 3.32Å; I615-R619 PolarHBondContact O-N 2.9Å; S616-R619 WeakPolarHBondContact O-CB 3.49Å; S616-R619 PolarHBondContact O-N 3.05Å; S616-R619 VanDerWaalsContact O-N 3.15Å; R619-L622 PolarHBondContact O-N 3.33Å; R619-A623 WeakPolarHBondContact O-CB 3.44Å; R619-A623 PolarHBondContact O-N 3.33Å
620	E	92.8	Very high	89.1	Confident	126 Å²	126	72.6 Å²	72.6	59%	0.589	37%	0.365	S	S	*	.	H	α-helix	trans	-63.1	-42	174.1	-73	172.9	-164.3	0	0	111.7	S616 K617 M618 L622 A623 R624	S616-E620 WeakPolarHBondContact O-CG 3.34Å; S616-E620 PolarHBondContact O-N 2.92Å; K617-E620 PolarHBondContact O-N 3.3Å; M618-E620 PolarHBondContact O-N 3.01Å; E620-L622 VanDerWaalsContact C-N 3.35Å; E620-A623 WeakPolarHBondContact O-CB 3.28Å; E620-A623 PolarHBondContact O-N 2.75Å; E620-R624 PolarHBondContact O-N 3.48Å
621	L	91.4	Very high	89.1	Confident	19 Å²	19	73.2 Å²	73.2	10%	0.099	37%	0.37	C	S	.	.	H	α-helix	trans	-61.1	-44	173.9	-172.9	70.9	0	0	0	111.4	K617 M618 A623 R624 K625 E628 I633 A636	K617-L621 PolarHBondContact O-N 2.92Å; M618-L621 HydrophobicContact CE-CD2 4.06Å; M618-L621 WeakPolarHBondContact O-CB 3.37Å; M618-L621 PolarHBondContact O-N 3Å; M618-L621 HydrophobicContact SD-CD2 3.96Å; L621-A623 VanDerWaalsContact C-N 3.33Å; L621-A623 PolarHBondContact O-N 2.86Å; L621-R624 CarbonylContact O-C 3.58Å; L621-R624 VanDerWaalsContact O-CG 3.24Å; L621-R624 WeakPolarHBondContact O-CG 3.45Å; L621-R624 PolarHBondContact O-N 2.85Å; L621-K625 PolarHBondContact O-N 2.89Å; L621-E628 HydrophobicContact CD1-CG 3.81Å; L621-E628 WeakPolarHBondContact CD1-OE1 3.25Å; L621-I633 HydrophobicContact CD2-CG1 4.32Å; L621-A636 HydrophobicContact CD2-CB 3.54Å
622	L	89.7	Confident	89.2	Confident	17 Å²	17	76.3 Å²	76.3	9%	0.089	39%	0.387	C	S	.	.	H	α-helix	trans	-67.8	-30.1	177.6	-67.7	178.2	0	0	0	112.9	V582 A585 E586 I589 M618 R619 E620 R624 K625 I633	V582-L622 HydrophobicContact CB-CD2 4.25Å; V582-L622 HydrophobicContact CG1-CD2 4.15Å; V582-L622 HydrophobicContact CG2-CD2 3.94Å; A585-L622 HydrophobicContact CB-CD1 4.09Å; A585-L622 HydrophobicContact CB-CD2 3.95Å; A585-L622 HydrophobicContact CB-CG 4.46Å; E586-L622 HydrophobicContact CG-CD1 3.82Å; I589-L622 HydrophobicContact CD1-CD1 3.73Å; M618-L622 HydrophobicContact CE-CD2 4.25Å; M618-L622 HydrophobicContact CE-CG 4.39Å; M618-L622 VanDerWaalsContact O-CG 3.28Å; M618-L622 WeakPolarHBondContact O-CG 3.22Å; M618-L622 PolarHBondContact O-N 3.45Å; R619-L622 PolarHBondContact O-N 3.33Å; E620-L622 VanDerWaalsContact C-N 3.35Å; L622-R624 PolarHBondContact O-N 2.83Å; L622-K625 VanDerWaalsContact O-CB 3.23Å; L622-K625 WeakPolarHBondContact O-CB 3.3Å; L622-K625 WeakPolarHBondContact O-CD 3.46Å; L622-K625 VanDerWaalsContact O-CG 3.23Å; L622-K625 WeakPolarHBondContact O-CG 3.5Å; L622-K625 PolarHBondContact O-N 3.16Å; L622-I633 HydrophobicContact CD2-CG2 4.03Å
623	A	90.8	Very high	89.2	Confident	91 Å²	91	70.4 Å²	70.4	75%	0.752	36%	0.361	S	S	*	.	H	α-helix	trans	-64.8	-26.3	174.5	0	0	0	0	0	112.6	R619 E620 L621	R619-A623 WeakPolarHBondContact O-CB 3.44Å; R619-A623 PolarHBondContact O-N 3.33Å; E620-A623 WeakPolarHBondContact O-CB 3.28Å; E620-A623 PolarHBondContact O-N 2.75Å; L621-A623 VanDerWaalsContact C-N 3.33Å; L621-A623 PolarHBondContact O-N 2.86Å
624	R	90.4	Very high	89.1	Confident	142 Å²	142	68.4 Å²	68.4	54%	0.536	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	22.2	175	66.8	-178.4	-173.9	-177	1.9	113.4	E620 L621 L622 D626 S627 E628	E620-R624 PolarHBondContact O-N 3.48Å; L621-R624 CarbonylContact O-C 3.58Å; L621-R624 VanDerWaalsContact O-CG 3.24Å; L621-R624 WeakPolarHBondContact O-CG 3.45Å; L621-R624 PolarHBondContact O-N 2.85Å; L622-R624 PolarHBondContact O-N 2.83Å; R624-D626 PolarHBondContact O-N 3.05Å; R624-S627 PolarHBondContact O-N 2.82Å; R624-S627 PolarHBondContact O-OG 3.46Å; R624-E628 HydrophobicContact CG-CG 4.21Å; R624-E628 IonicContact CZ-OE1 3.14Å; R624-E628 IonicContact NE-OE1 3.55Å; R624-E628 PolarHBondContact NE-OE1 3.13Å; R624-E628 IonicContact NH2-OE1 3.61Å; R624-E628 PolarHBondContact NH2-OE1 2.91Å
625	K	83.1	Confident	89.1	Confident	80 Å²	80	70.4 Å²	70.4	35%	0.348	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-49.9	-32.9	-176.4	62.1	-173	175.4	-174.3	0	114	R578 V582 L621 L622 S627 E628 I633	R578-K625 WeakPolarHBondContact CD-O 3.37Å; V582-K625 HydrophobicContact CG1-CD 4.2Å; V582-K625 HydrophobicContact CG2-CB 3.95Å; V582-K625 HydrophobicContact CG2-CD 4Å; L621-K625 PolarHBondContact O-N 2.89Å; L622-K625 VanDerWaalsContact O-CB 3.23Å; L622-K625 WeakPolarHBondContact O-CB 3.3Å; L622-K625 WeakPolarHBondContact O-CD 3.46Å; L622-K625 VanDerWaalsContact O-CG 3.23Å; L622-K625 WeakPolarHBondContact O-CG 3.5Å; L622-K625 PolarHBondContact O-N 3.16Å; K625-S627 PolarHBondContact O-N 2.9Å; K625-E628 PolarHBondContact O-N 3.26Å; K625-I633 HydrophobicContact CB-CD1 4.32Å
626	D	77.3	Confident	89.1	Confident	115 Å²	115	71.7 Å²	71.7	62%	0.615	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-68.8	-19.1	-178.5	-69.6	-51.2	0	0	0	114.4	R578 R624	R578-D626 IonicContact CZ-OD1 2.67Å; R578-D626 VanDerWaalsContact NH1-C 3.34Å; R578-D626 VanDerWaalsContact NH1-CA 3.32Å; R578-D626 PolarHBondContact NH1-O 3Å; R578-D626 IonicContact NH1-OD1 3.97Å; R578-D626 IonicContact NH2-OD1 2.81Å; R578-D626 PolarHBondContact NH2-OD1 3.37Å; R624-D626 PolarHBondContact O-N 3.05Å
627	S	82.9	Confident	88.9	Confident	94 Å²	94	69 Å²	69	66%	0.657	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-100.1	-0.7	176.6	63.7	0	0	0	0	114.1	R624 K625	R624-S627 PolarHBondContact O-N 2.82Å; R624-S627 PolarHBondContact O-OG 3.46Å; K625-S627 PolarHBondContact O-N 2.9Å
628	E	86.5	Confident	88.8	Confident	35 Å²	35	66 Å²	66	16%	0.164	34%	0.343	C	S	.	.	S	Bend	trans	-109.5	158.7	-174.5	-71.5	-70	178.4	0	0	112.6	R578 L621 R624 K625 N632 I633	R578-E628 VanDerWaalsContact CD-O 3.32Å; R578-E628 WeakPolarHBondContact CD-O 3.33Å; L621-E628 HydrophobicContact CD1-CG 3.81Å; L621-E628 WeakPolarHBondContact CD1-OE1 3.25Å; R624-E628 HydrophobicContact CG-CG 4.21Å; R624-E628 IonicContact CZ-OE1 3.14Å; R624-E628 IonicContact NE-OE1 3.55Å; R624-E628 PolarHBondContact NE-OE1 3.13Å; R624-E628 IonicContact NH2-OE1 3.61Å; R624-E628 PolarHBondContact NH2-OE1 2.91Å; K625-E628 PolarHBondContact O-N 3.26Å; E628-N632 PolarHBondContact OE2-ND2 3.22Å; E628-I633 HydrophobicContact CB-CD1 4.14Å; E628-I633 HydrophobicContact CB-CG1 4.16Å
629	T	86.5	Confident	88.8	Confident	74 Å²	74	68.9 Å²	68.9	45%	0.454	36%	0.363	S	S	.	.			trans	-86.6	147.9	173.6	69.8	0	0	0	0	110.5	E631 N632 I633	T629-E631 PolarHBondContact O-N 2.96Å; T629-N632 PolarHBondContact O-N 3.22Å; T629-N632 WeakPolarHBondContact OG1-CB 3.29Å; T629-N632 PolarHBondContact OG1-N 3.07Å; T629-N632 VanDerWaalsContact OG1-N 3.11Å; T629-N632 PolarHBondContact OG1-ND2 3.47Å; T629-N632 PolarHBondContact OG1-OD1 3.16Å; T629-I633 WeakPolarHBondContact O-CG1 3.34Å; T629-I633 PolarHBondContact O-N 3.01Å
630	G	83.3	Confident	88.8	Confident	7 Å²	7	63 Å²	63	7%	0.072	34%	0.341	C	S	.	.	H	α-helix	trans	-58.6	-28.3	173.7	0	0	0	0	0	112.8	A581 R634	A581-G630 VanDerWaalsContact CB-O 3.31Å; A581-G630 WeakPolarHBondContact CB-O 3.46Å; G630-R634 WeakPolarHBondContact O-CB 3.28Å; G630-R634 WeakPolarHBondContact O-CG 3.28Å; G630-R634 PolarHBondContact O-N 2.92Å; G630-R634 PolarHBondContact O-NE 2.98Å
631	E	89.1	Confident	88.7	Confident	123 Å²	123	60.8 Å²	60.8	58%	0.575	33%	0.331	S	S	*	.	H	α-helix	trans	-69.7	-45.4	175.7	-171.1	161.7	-168.1	0	0	112.9	T629 I633 R634 Q635	T629-E631 PolarHBondContact O-N 2.96Å; E631-I633 VanDerWaalsContact C-N 3.31Å; E631-I633 PolarHBondContact O-N 2.82Å; E631-R634 PolarHBondContact O-N 2.83Å; E631-Q635 WeakPolarHBondContact O-CG 3.46Å; E631-Q635 PolarHBondContact O-N 2.81Å
632	N	90.1	Very high	88.7	Confident	69 Å²	69	65.5 Å²	65.5	37%	0.369	35%	0.353	S	S	.	.	H	α-helix	trans	-58.7	-45.2	175	-72	-2.8	0	0	0	111.1	E628 T629 Q635 A636	E628-N632 PolarHBondContact OE2-ND2 3.22Å; T629-N632 PolarHBondContact O-N 3.22Å; T629-N632 WeakPolarHBondContact OG1-CB 3.29Å; T629-N632 PolarHBondContact OG1-N 3.07Å; T629-N632 VanDerWaalsContact OG1-N 3.11Å; T629-N632 PolarHBondContact OG1-ND2 3.47Å; T629-N632 PolarHBondContact OG1-OD1 3.16Å; N632-Q635 PolarHBondContact O-N 3.11Å; N632-A636 WeakPolarHBondContact O-CB 3.39Å; N632-A636 PolarHBondContact O-N 2.79Å
633	I	90.9	Very high	88.7	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-63.3	-44.1	178.3	-62.2	174.2	0	0	0	110.4	R578 A581 V582 A585 M618 L621 L622 K625 E628 T629 E631 Q635 A636 A637	R578-I633 HydrophobicContact CG-CD1 4.16Å; A581-I633 HydrophobicContact CB-CB 3.89Å; A581-I633 HydrophobicContact CB-CG2 3.77Å; A581-I633 WeakPolarHBondContact O-CG2 3.2Å; V582-I633 HydrophobicContact CG2-CD1 3.82Å; A585-I633 HydrophobicContact CB-CG2 4.14Å; M618-I633 HydrophobicContact CE-CG2 3.76Å; M618-I633 WeakPolarHBondContact CE-O 3.22Å; L621-I633 HydrophobicContact CD2-CG1 4.32Å; L622-I633 HydrophobicContact CD2-CG2 4.03Å; K625-I633 HydrophobicContact CB-CD1 4.32Å; E628-I633 HydrophobicContact CB-CD1 4.14Å; E628-I633 HydrophobicContact CB-CG1 4.16Å; T629-I633 WeakPolarHBondContact O-CG1 3.34Å; T629-I633 PolarHBondContact O-N 3.01Å; E631-I633 VanDerWaalsContact C-N 3.31Å; E631-I633 PolarHBondContact O-N 2.82Å; I633-Q635 PolarHBondContact O-N 3.02Å; I633-A636 PolarHBondContact O-N 2.76Å; I633-A637 VanDerWaalsContact O-CB 3.26Å; I633-A637 WeakPolarHBondContact O-CB 3.4Å; I633-A637 PolarHBondContact O-N 2.89Å
634	R	90.3	Very high	88.6	Confident	76 Å²	76	62.6 Å²	62.6	29%	0.287	33%	0.33	S	S	.	.	H	α-helix	trans	-62.2	-41.5	176.1	-83.2	-176.3	-75.1	-127	4.8	112.9	E577 A581 G630 E631 A637 S638	E577-R634 IonicContact OE2-NH2 2.9Å; E577-R634 PolarHBondContact OE2-NH2 2.99Å; E577-R634 VanDerWaalsContact OE2-NH2 3.14Å; A581-R634 HydrophobicContact CB-CG 3.71Å; G630-R634 WeakPolarHBondContact O-CB 3.28Å; G630-R634 WeakPolarHBondContact O-CG 3.28Å; G630-R634 PolarHBondContact O-N 2.92Å; G630-R634 PolarHBondContact O-NE 2.98Å; E631-R634 PolarHBondContact O-N 2.83Å; R634-A637 PolarHBondContact O-N 3.45Å; R634-S638 WeakPolarHBondContact O-CB 3.41Å; R634-S638 PolarHBondContact O-N 2.77Å; R634-S638 PolarHBondContact O-OG 2.83Å
635	Q	92.4	Very high	88.6	Confident	111 Å²	111	60.2 Å²	60.2	52%	0.519	33%	0.328	S	S	.	.	H	α-helix	trans	-65.2	-44.3	178.1	-75	-179.4	4.7	0	0	111.7	E631 N632 I633 S638 S639	E631-Q635 WeakPolarHBondContact O-CG 3.46Å; E631-Q635 PolarHBondContact O-N 2.81Å; N632-Q635 PolarHBondContact O-N 3.11Å; I633-Q635 PolarHBondContact O-N 3.02Å; Q635-S638 PolarHBondContact O-N 2.83Å; Q635-S639 WeakPolarHBondContact O-CB 3.41Å; Q635-S639 PolarHBondContact O-N 3.38Å; Q635-S639 PolarHBondContact O-OG 2.86Å
636	A	91.6	Very high	88.7	Confident	32 Å²	32	63.1 Å²	63.1	26%	0.264	34%	0.34	S	S	.	.	H	α-helix	trans	-64	-44.5	175.6	0	0	0	0	0	111.6	M618 L621 N632 I633 S638 S639 L640	M618-A636 HydrophobicContact CE-CB 4.08Å; M618-A636 HydrophobicContact SD-CB 3.51Å; M618-A636 VanDerWaalsContact SD-CB 3.51Å; L621-A636 HydrophobicContact CD2-CB 3.54Å; N632-A636 WeakPolarHBondContact O-CB 3.39Å; N632-A636 PolarHBondContact O-N 2.79Å; I633-A636 PolarHBondContact O-N 2.76Å; A636-S638 VanDerWaalsContact C-N 3.34Å; A636-S638 PolarHBondContact O-N 2.78Å; A636-S639 WeakPolarHBondContact O-CB 3.39Å; A636-S639 PolarHBondContact O-N 2.84Å; A636-L640 PolarHBondContact O-N 2.88Å
637	A	89.9	Confident	89.1	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.2	-43.6	175.2	0	0	0	0	0	112.2	A585 I588 M618 I633 R634 S639 L640 Q641	A585-A637 HydrophobicContact CB-CB 4.01Å; I588-A637 HydrophobicContact CD1-CB 3.97Å; M618-A637 HydrophobicContact CE-CB 3.97Å; I633-A637 VanDerWaalsContact O-CB 3.26Å; I633-A637 WeakPolarHBondContact O-CB 3.4Å; I633-A637 PolarHBondContact O-N 2.89Å; R634-A637 PolarHBondContact O-N 3.45Å; A637-S639 VanDerWaalsContact C-N 3.32Å; A637-S639 PolarHBondContact O-N 2.91Å; A637-L640 PolarHBondContact O-N 2.78Å; A637-Q641 WeakPolarHBondContact O-CB 3.36Å; A637-Q641 PolarHBondContact O-N 2.86Å
638	S	91.9	Very high	89.2	Confident	43 Å²	43	54.2 Å²	54.2	30%	0.301	28%	0.284	S	S	.	.	H	α-helix	trans	-65.6	-36.6	177.4	-59.1	0	0	0	0	111.9	R634 Q635 A636 Q641 Q642	R634-S638 WeakPolarHBondContact O-CB 3.41Å; R634-S638 PolarHBondContact O-N 2.77Å; R634-S638 PolarHBondContact O-OG 2.83Å; Q635-S638 PolarHBondContact O-N 2.83Å; A636-S638 VanDerWaalsContact C-N 3.34Å; A636-S638 PolarHBondContact O-N 2.78Å; S638-Q641 PolarHBondContact O-N 3.24Å; S638-Q642 WeakPolarHBondContact O-CG 3.25Å; S638-Q642 PolarHBondContact O-N 2.78Å
639	S	91.6	Very high	89.1	Confident	66 Å²	66	58 Å²	58	46%	0.462	30%	0.302	S	S	.	.	H	α-helix	trans	-66	-44.2	176.5	-58.8	0	0	0	0	111.1	Q635 A636 A637 Q642 A643	Q635-S639 WeakPolarHBondContact O-CB 3.41Å; Q635-S639 PolarHBondContact O-N 3.38Å; Q635-S639 PolarHBondContact O-OG 2.86Å; A636-S639 WeakPolarHBondContact O-CB 3.39Å; A636-S639 PolarHBondContact O-N 2.84Å; A637-S639 VanDerWaalsContact C-N 3.32Å; A637-S639 PolarHBondContact O-N 2.91Å; S639-Q642 PolarHBondContact O-N 3.23Å; S639-A643 WeakPolarHBondContact O-CB 3.17Å; S639-A643 PolarHBondContact O-N 3.44Å
640	L	91.8	Very high	88.7	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-60.6	-44.4	173.2	175.3	60.9	0	0	0	111.5	I588 I589 L611 E614 I615 M618 A636 A637 Q642 A643 S644	I588-L640 HydrophobicContact CG2-CB 4.42Å; I588-L640 HydrophobicContact CG2-CD2 3.94Å; I588-L640 HydrophobicContact CG2-CG 3.95Å; I589-L640 HydrophobicContact CG1-CD2 3.76Å; L611-L640 HydrophobicContact CD1-CD1 3.73Å; E614-L640 HydrophobicContact CB-CD1 3.92Å; I615-L640 HydrophobicContact CG1-CD1 3.85Å; I615-L640 HydrophobicContact CG1-CD2 4.24Å; M618-L640 HydrophobicContact CB-CD2 4.17Å; M618-L640 HydrophobicContact CG-CD2 4.25Å; A636-L640 PolarHBondContact O-N 2.88Å; A637-L640 PolarHBondContact O-N 2.78Å; L640-Q642 PolarHBondContact O-N 2.75Å; L640-A643 PolarHBondContact O-N 2.87Å; L640-S644 WeakPolarHBondContact O-CB 3.31Å; L640-S644 PolarHBondContact O-N 3.42Å; L640-S644 PolarHBondContact O-OG 3.31Å
641	Q	91.6	Very high	88.4	Confident	80 Å²	80	58.9 Å²	58.9	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-62.5	-41.2	177.2	-172.4	179.5	4.9	0	0	112.3	I588 A637 S638 S644 L645	I588-Q641 HydrophobicContact CD1-CB 4.15Å; I588-Q641 HydrophobicContact CG2-CB 4.09Å; A637-Q641 WeakPolarHBondContact O-CB 3.36Å; A637-Q641 PolarHBondContact O-N 2.86Å; S638-Q641 PolarHBondContact O-N 3.24Å; Q641-S644 PolarHBondContact O-N 2.92Å; Q641-S644 PolarHBondContact O-OG 3.24Å; Q641-L645 HydrophobicContact CG-CD1 4.38Å; Q641-L645 WeakPolarHBondContact O-CB 3.47Å; Q641-L645 VanDerWaalsContact O-CG 3.28Å; Q641-L645 WeakPolarHBondContact O-CG 3.01Å; Q641-L645 PolarHBondContact O-N 3.41Å
642	Q	91.5	Very high	87.9	Confident	119 Å²	119	60 Å²	60	56%	0.556	30%	0.301	S	S	*	.	H	α-helix	trans	-66.4	-39.5	175.9	-75.3	-179.5	7.4	0	0	112.2	S638 S639 L640 K646	S638-Q642 WeakPolarHBondContact O-CG 3.25Å; S638-Q642 PolarHBondContact O-N 2.78Å; S639-Q642 PolarHBondContact O-N 3.23Å; L640-Q642 PolarHBondContact O-N 2.75Å; Q642-K646 WeakPolarHBondContact O-CG 3.09Å; Q642-K646 PolarHBondContact O-N 3.29Å; Q642-K646 VanDerWaalsContact O-N 3.16Å
643	A	89.4	Confident	87.3	Confident	37 Å²	37	63.7 Å²	63.7	31%	0.306	31%	0.314	S	S	.	.	H	α-helix	trans	-63.7	-42.6	175.2	0	0	0	0	0	111.3	L611 S639 L640 K646 L647	L611-A643 HydrophobicContact CD1-CB 3.78Å; S639-A643 WeakPolarHBondContact O-CB 3.17Å; S639-A643 PolarHBondContact O-N 3.44Å; L640-A643 PolarHBondContact O-N 2.87Å; A643-K646 PolarHBondContact O-N 2.74Å; A643-L647 PolarHBondContact O-N 2.84Å
644	S	89.1	Confident	86.4	Confident	10 Å²	10	68 Å²	68	7%	0.07	33%	0.332	C	S	.	.	H	α-helix	trans	-66.5	-42.4	178.2	74.4	0	0	0	0	112.3	L640 Q641 K646 L647 F648	L640-S644 WeakPolarHBondContact O-CB 3.31Å; L640-S644 PolarHBondContact O-N 3.42Å; L640-S644 PolarHBondContact O-OG 3.31Å; Q641-S644 PolarHBondContact O-N 2.92Å; Q641-S644 PolarHBondContact O-OG 3.24Å; S644-K646 PolarHBondContact O-N 3.47Å; S644-L647 PolarHBondContact O-N 3.44Å; S644-F648 WeakPolarHBondContact O-CD2 3.48Å; S644-F648 WeakPolarHBondContact O-CG 3.3Å; S644-F648 PolarHBondContact O-N 3.47Å
645	L	88.9	Confident	85.5	Confident	92 Å²	92	66.9 Å²	66.9	48%	0.482	33%	0.331	S	S	.	.	H	α-helix	trans	-58.1	-46.4	175	-75	170.8	0	0	0	112.5	Q641 L647 F648 E649	Q641-L645 HydrophobicContact CG-CD1 4.38Å; Q641-L645 WeakPolarHBondContact O-CB 3.47Å; Q641-L645 VanDerWaalsContact O-CG 3.28Å; Q641-L645 WeakPolarHBondContact O-CG 3.01Å; Q641-L645 PolarHBondContact O-N 3.41Å; L645-L647 VanDerWaalsContact C-N 3.3Å; L645-L647 PolarHBondContact O-N 3.34Å; L645-F648 PolarHBondContact O-N 2.59Å; L645-E649 WeakPolarHBondContact O-CB 3.45Å; L645-E649 WeakPolarHBondContact O-CG 3.46Å; L645-E649 PolarHBondContact O-N 2.92Å
646	K	87	Confident	84.5	Confident	140 Å²	140	64 Å²	64	61%	0.609	33%	0.326	S	S	*	.	H	α-helix	trans	-59.1	-42.3	177.2	-74.7	176	-178.2	175.2	0	112	Q642 A643 S644 M650	Q642-K646 WeakPolarHBondContact O-CG 3.09Å; Q642-K646 PolarHBondContact O-N 3.29Å; Q642-K646 VanDerWaalsContact O-N 3.16Å; A643-K646 PolarHBondContact O-N 2.74Å; S644-K646 PolarHBondContact O-N 3.47Å; K646-M650 WeakPolarHBondContact O-CG 3.47Å; K646-M650 PolarHBondContact O-N 3.42Å
647	L	84.8	Confident	83.3	Confident	6 Å²	6	65.8 Å²	65.8	3%	0.031	34%	0.336	C	S	.	.	H	α-helix	trans	-64.1	-46.7	178.9	-179.2	59.1	0	0	0	111.6	L603 E607 L611 A643 S644 L645 M650 A651	L603-L647 HydrophobicContact CD1-CD2 4.49Å; L603-L647 HydrophobicContact CD2-CD1 3.65Å; L603-L647 HydrophobicContact CD2-CD2 4.1Å; L603-L647 HydrophobicContact CD2-CG 3.57Å; E607-L647 HydrophobicContact CB-CD1 3.52Å; E607-L647 HydrophobicContact CG-CD1 4.44Å; L611-L647 HydrophobicContact CB-CD2 4.3Å; L611-L647 HydrophobicContact CD2-CB 4.38Å; L611-L647 HydrophobicContact CD2-CD2 3.41Å; L611-L647 VanDerWaalsContact CD2-CD2 3.41Å; L611-L647 HydrophobicContact CD2-CG 4.49Å; A643-L647 PolarHBondContact O-N 2.84Å; S644-L647 PolarHBondContact O-N 3.44Å; L645-L647 VanDerWaalsContact C-N 3.3Å; L645-L647 PolarHBondContact O-N 3.34Å; L647-M650 WeakPolarHBondContact O-CB 3.35Å; L647-M650 PolarHBondContact O-N 3.23Å; L647-A651 PolarHBondContact O-N 2.89Å
648	F	84.9	Confident	82.1	Confident	16 Å²	16	70.7 Å²	70.7	7%	0.07	36%	0.359	C	S	.	.	H	α-helix	trans	-72.2	-31.5	-179.5	-62.3	-54.9	0	0	0	113	T592 K595 M596 F599 L603 S644 L645 M650 A651 Y652	T592-F648 HydrophobicContact CG2-CE2 4.49Å; K595-F648 HydrophobicContact CB-CD1 4.22Å; K595-F648 HydrophobicContact CB-CD2 4.43Å; K595-F648 HydrophobicContact CB-CE1 3.46Å; K595-F648 VanDerWaalsContact CB-CE1 3.46Å; K595-F648 HydrophobicContact CB-CE2 3.71Å; K595-F648 HydrophobicContact CB-CZ 3.18Å; K595-F648 HydrophobicContact CD-CD2 4.14Å; K595-F648 HydrophobicContact CD-CE2 3.9Å; K595-F648 HydrophobicContact CD-CZ 4.26Å; K595-F648 HydrophobicContact CG-CE2 4.48Å; K595-F648 HydrophobicContact CG-CZ 4.36Å; M596-F648 HydrophobicContact CG-CE1 4.35Å; M596-F648 HydrophobicContact CG-CZ 3.93Å; F599-F648 AromaticContact CD2-CD1 3.98Å; F599-F648 HydrophobicContact CD2-CD1 3.98Å; F599-F648 HydrophobicContact CD2-CE1 4.16Å; L603-F648 HydrophobicContact CD1-CE1 4.15Å; L603-F648 HydrophobicContact CD2-CD1 4.46Å; S644-F648 WeakPolarHBondContact O-CD2 3.48Å; S644-F648 WeakPolarHBondContact O-CG 3.3Å; S644-F648 PolarHBondContact O-N 3.47Å; L645-F648 PolarHBondContact O-N 2.59Å; F648-M650 VanDerWaalsContact C-N 3.27Å; F648-M650 PolarHBondContact O-N 3.44Å; F648-A651 WeakPolarHBondContact O-CB 3.49Å; F648-A651 PolarHBondContact O-N 3.47Å; F648-Y652 WeakPolarHBondContact O-CD2 3.34Å; F648-Y652 PolarHBondContact O-N 2.88Å
649	E	84.3	Confident	80.6	Confident	114 Å²	114	78.7 Å²	78.7	53%	0.533	38%	0.383	S	S	.	.	H	α-helix	trans	-59.3	-38.6	169.9	-81.8	-175.6	-171.3	0	0	112.2	L645 Y652 K653	L645-E649 WeakPolarHBondContact O-CB 3.45Å; L645-E649 WeakPolarHBondContact O-CG 3.46Å; L645-E649 PolarHBondContact O-N 2.92Å; E649-Y652 PolarHBondContact O-N 2.81Å; E649-K653 WeakPolarHBondContact O-CB 3.36Å; E649-K653 WeakPolarHBondContact O-CG 3.27Å; E649-K653 PolarHBondContact O-N 3.13Å
650	M	79.1	Confident	78.8	Confident	99 Å²	99	83.5 Å²	83.5	49%	0.488	40%	0.398	S	S	.	.	H	α-helix	trans	-65.9	-41.8	175.3	-69.8	175.7	65.5	0	0	111.7	P604 K646 L647 F648 K653 K654	P604-M650 HydrophobicContact CG-CE 4.43Å; K646-M650 WeakPolarHBondContact O-CG 3.47Å; K646-M650 PolarHBondContact O-N 3.42Å; L647-M650 WeakPolarHBondContact O-CB 3.35Å; L647-M650 PolarHBondContact O-N 3.23Å; F648-M650 VanDerWaalsContact C-N 3.27Å; F648-M650 PolarHBondContact O-N 3.44Å; M650-K653 PolarHBondContact O-N 2.89Å; M650-K654 WeakPolarHBondContact O-CB 3.24Å; M650-K654 PolarHBondContact O-N 3.2Å
651	A	75.3	Confident	76.8	Confident	1 Å²	1	86.2 Å²	86.2	1%	0.008	43%	0.427	C	S	.	.	H	α-helix	trans	-61.7	-44.7	175.6	0	0	0	0	0	112	L603 L647 F648 K654 M655	L603-A651 HydrophobicContact CD2-CB 3.73Å; L603-A651 HydrophobicContact CG-CB 4.44Å; L647-A651 PolarHBondContact O-N 2.89Å; F648-A651 WeakPolarHBondContact O-CB 3.49Å; F648-A651 PolarHBondContact O-N 3.47Å; A651-K654 PolarHBondContact O-N 2.78Å; A651-M655 HydrophobicContact CB-CE 4.32Å; A651-M655 PolarHBondContact O-N 3.49Å
652	Y	78.9	Confident	74.5	Confident	148 Å²	148	86.7 Å²	86.7	58%	0.58	44%	0.439	S	S	*	.	H	α-helix	trans	-64.8	-43.5	177.8	-95.6	-79.1	0	0	0	112.6	F599 F648 E649 K654 M655 A656	F599-Y652 HydrophobicContact CZ-CE2 4.41Å; F648-Y652 WeakPolarHBondContact O-CD2 3.34Å; F648-Y652 PolarHBondContact O-N 2.88Å; E649-Y652 PolarHBondContact O-N 2.81Å; Y652-K654 VanDerWaalsContact C-N 3.29Å; Y652-K654 PolarHBondContact O-N 3.37Å; Y652-M655 PolarHBondContact O-N 2.85Å; Y652-A656 WeakPolarHBondContact O-CB 3.36Å; Y652-A656 PolarHBondContact O-N 2.9Å
653	K	79.3	Confident	72.3	Confident	146 Å²	146	84.4 Å²	84.4	64%	0.635	45%	0.447	S	S	*	.	H	α-helix	trans	-61	-39.6	175	-78.1	174.3	179.4	166.2	0	111.6	E649 M650 A656 S657	E649-K653 WeakPolarHBondContact O-CB 3.36Å; E649-K653 WeakPolarHBondContact O-CG 3.27Å; E649-K653 PolarHBondContact O-N 3.13Å; M650-K653 PolarHBondContact O-N 2.89Å; K653-A656 PolarHBondContact O-N 2.92Å; K653-S657 WeakPolarHBondContact O-CB 3.32Å; K653-S657 PolarHBondContact O-N 3.37Å; K653-S657 PolarHBondContact O-OG 3.41Å
654	K	71.8	Confident	69.9	Low	91 Å²	91	87.7 Å²	87.7	40%	0.396	47%	0.468	S	S	.	.	H	α-helix	trans	-66.2	-47.3	177.1	-166.6	179.5	174.2	-167.9	0	111.8	M650 A651 Y652 A656 S657 E658	M650-K654 WeakPolarHBondContact O-CB 3.24Å; M650-K654 PolarHBondContact O-N 3.2Å; A651-K654 PolarHBondContact O-N 2.78Å; Y652-K654 VanDerWaalsContact C-N 3.29Å; Y652-K654 PolarHBondContact O-N 3.37Å; K654-A656 PolarHBondContact O-N 3.08Å; K654-S657 WeakPolarHBondContact CA-OG 3.24Å; K654-S657 PolarHBondContact O-N 3.13Å; K654-S657 PolarHBondContact O-OG 2.98Å; K654-E658 WeakPolarHBondContact CE-OE1 3.47Å; K654-E658 WeakPolarHBondContact O-CG 3.48Å; K654-E658 PolarHBondContact O-N 3.34Å
655	M	70	Confident	67.4	Low	51 Å²	51	93 Å²	93	25%	0.251	51%	0.505	S	S	.	.	H	α-helix	trans	-63.1	-37.6	175.1	-83.9	-173.7	-108.8	0	0	113.4	F599 Q602 A651 Y652 E658 R659	F599-M655 HydrophobicContact CD1-CE 3.25Å; F599-M655 HydrophobicContact CE1-CE 3.53Å; F599-M655 HydrophobicContact CE1-SD 4.46Å; F599-M655 HydrophobicContact CG-CE 4.24Å; Q602-M655 HydrophobicContact CB-CE 3.97Å; Q602-M655 HydrophobicContact CG-CE 3.88Å; Q602-M655 HydrophobicContact CG-CG 4.11Å; Q602-M655 HydrophobicContact CG-SD 4.31Å; A651-M655 HydrophobicContact CB-CE 4.32Å; A651-M655 PolarHBondContact O-N 3.49Å; Y652-M655 PolarHBondContact O-N 2.85Å; M655-E658 PolarHBondContact O-N 2.88Å; M655-R659 PolarHBondContact O-N 3.11Å
656	A	71.3	Confident	64.7	Low	52 Å²	52	92.5 Å²	92.5	43%	0.43	52%	0.522	S	S	.	.	H	α-helix	trans	-64.1	-42.5	174.4	0	0	0	0	0	111.3	Y652 K653 K654 R659 E660	Y652-A656 WeakPolarHBondContact O-CB 3.36Å; Y652-A656 PolarHBondContact O-N 2.9Å; K653-A656 PolarHBondContact O-N 2.92Å; K654-A656 PolarHBondContact O-N 3.08Å; A656-R659 PolarHBondContact O-N 2.82Å; A656-E660 PolarHBondContact O-N 3.19Å
657	S	67.6	Low	62.1	Low	68 Å²	68	92.7 Å²	92.7	48%	0.476	54%	0.535	S	S	.	.	H	α-helix	trans	-68	-32.1	175.8	64.2	0	0	0	0	113.7	K653 K654 G661	K653-S657 WeakPolarHBondContact O-CB 3.32Å; K653-S657 PolarHBondContact O-N 3.37Å; K653-S657 PolarHBondContact O-OG 3.41Å; K654-S657 WeakPolarHBondContact CA-OG 3.24Å; K654-S657 PolarHBondContact O-N 3.13Å; K654-S657 PolarHBondContact O-OG 2.98Å; S657-G661 PolarHBondContact O-N 2.61Å
658	E	63.5	Low	59.5	Low	103 Å²	103	95.9 Å²	95.9	48%	0.481	57%	0.57	S	S	.	*	H	α-helix	trans	-74.1	-29.5	174.4	-74.2	171.9	-179.8	0	0	112.2	K654 M655 S662	K654-E658 WeakPolarHBondContact CE-OE1 3.47Å; K654-E658 WeakPolarHBondContact O-CG 3.48Å; K654-E658 PolarHBondContact O-N 3.34Å; M655-E658 PolarHBondContact O-N 2.88Å; E658-S662 PolarHBondContact O-N 3.36Å; E658-S662 PolarHBondContact O-OG 3.26Å
659	R	60.5	Low	56.9	Low	212 Å²	212	104.6 Å²	104.6	80%	0.8	61%	0.61	S	S	*	*	H	α-helix	trans	-73.4	-37.3	170.6	-96.6	-177.7	172.3	174.1	-0.7	113.5	M655 A656 S662	M655-R659 PolarHBondContact O-N 3.11Å; A656-R659 PolarHBondContact O-N 2.82Å; R659-S662 PolarHBondContact O-OG 3.44Å
660	E	54.5	Low	54.2	Low	166 Å²	166	108.8 Å²	108.8	78%	0.776	63%	0.63	S	S	*	*	H	α-helix	trans	-74.7	-29.7	174.4	-74.9	-178.4	163.6	0	0	112.1	A656	A656-E660 PolarHBondContact O-N 3.19Å
661	G	48.9	Very low	51.9	Low	59 Å²	59	112.7 Å²	112.7	61%	0.608	64%	0.644	S	S	*	*	H	α-helix	trans	-74.4	-19	175.1	0	0	0	0	0	115.3	S657	S657-G661 PolarHBondContact O-N 2.61Å
662	S	44.5	Very low	49.7	Very low	91 Å²	91	120.5 Å²	120.5	64%	0.636	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	0.6	177.3	45.9	0	0	0	0	114.1	E658 R659	E658-S662 PolarHBondContact O-N 3.36Å; E658-S662 PolarHBondContact O-OG 3.26Å; R659-S662 PolarHBondContact O-OG 3.44Å
663	G	43.8	Very low	47.4	Very low	70 Å²	70	120.1 Å²	120.1	72%	0.722	69%	0.688	S	S	*	*	S	Bend	trans	-91.3	1.2	178	0	0	0	0	0	116.3
664	S	39.9	Very low	45.1	Very low	107 Å²	107	121.1 Å²	121.1	75%	0.748	70%	0.696	S	S	*	*	S	Bend	trans	-132.6	68.1	-177.5	-169.7	0	0	0	0	112.4
665	S	36.6	Very low	43.3	Very low	121 Å²	121	125 Å²	125	85%	0.846	71%	0.712	S	S	*	*			trans	-170.4	105.6	151.7	47.2	0	0	0	0	110.8
666	G	32	Very low	41.6	Very low	81 Å²	81	130.1 Å²	130.1	84%	0.835	74%	0.736	S	S	*	*			trans	162	68.5	177.6	0	0	0	0	0	113.6
667	T	32.2	Very low	39.9	Very low	145 Å²	145	136.4 Å²	136.4	89%	0.89	76%	0.756	S	S	*	*			trans	-61.2	140.1	175.3	35.8	0	0	0	0	115.1
668	G	30	Very low	38.6	Very low	73 Å²	73	142.4 Å²	142.4	75%	0.753	77%	0.774	S	S	*	*				82.4	111.2	122.5	0	0	0	0	0	121
669	E	30	Very low	37.2	Very low	198 Å²	198	150.4 Å²	150.4	93%	0.925	81%	0.811	S	S	*	*			trans	70.9	108.6	145.7	-72.7	-175.3	147	0	0	122.2
670	Q	27.6	Very low	36.1	Very low	202 Å²	202	147.4 Å²	147.4	94%	0.944	81%	0.812	S	S	*	*				-153.3	138.4	112.1	-109.4	178	0.4	0	0	111
671	K	30.9	Very low	35.1	Very low	182 Å²	182	146.4 Å²	146.4	79%	0.791	81%	0.814	S	S	*	*			trans	-93.9	156.6	-176.6	-112.4	-173.4	179.3	-172.5	0	111.3
672	E	30.5	Very low	34.3	Very low	165 Å²	165	151.2 Å²	151.2	77%	0.771	83%	0.825	S	S	*	*			trans	72.7	132.1	160	-69.7	165.3	-171.6	0	0	115.9
673	D	30.6	Very low	33.7	Very low	139 Å²	139	154.8 Å²	154.8	74%	0.743	84%	0.836	S	S	*	*			cis	-167.7	166.1	35.6	-148	-7.8	0	0	0	112.6
674	Q	30.2	Very low	33.1	Very low	168 Å²	168	160.1 Å²	160.1	79%	0.785	84%	0.843	S	S	*	*			trans	87.5	97.6	159.6	-61.4	-174.9	12.7	0	0	123.4
675	K	33.7	Very low	32.7	Very low	172 Å²	172	163.6 Å²	163.6	75%	0.748	85%	0.85	S	S	*	*				24.2	139.5	118.5	-86.1	-176.5	163.9	-155.7	0	122.6
676	E	35.1	Very low	32.4	Very low	158 Å²	158	166.6 Å²	166.6	74%	0.738	85%	0.85	S	S	*	*			trans	62.4	127.7	143.2	-69.1	166.5	157	0	0	115.7
677	E	35.6	Very low	32.4	Very low	184 Å²	184	173.2 Å²	173.2	86%	0.86	85%	0.851	S	S	*	*				-173	166	54.8	-142.8	173.5	-173	0	0	111.1
678	K	39.4	Very low	32.4	Very low	195 Å²	195	175.6 Å²	175.6	85%	0.848	85%	0.848	S	S	*	*			trans	-51.4	142.7	-178.2	-63.9	159.1	171.5	171.1	0	116
679	Q	35.5	Very low	32.6	Very low	271 Å²	271	184.9 Å²	184.9	100%	1.266	86%	0.856	S	S	*	*				-166.8	0	105.8	-111	-178.3	5.5	0	0	111.6

Retrieved 679 of 679 residues in 351.6 ms (Link to these results)

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