A0A087XV16_POEFO Loading...

Calcium release activated channel regulator 2A

AlphaFold DB , UniProt , Accession A0A087XV16, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 720 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	35.8	Very low	32.9	Very low	249 Å²	249	136 Å²	136	100%	1.227	81%	0.81	S	S	*	*				0	166.4	0	-75	172.4	168.5	0	0	108.6
2	A	33.2	Very low	32.1	Very low	93 Å²	93	133.1 Å²	133.1	77%	0.769	80%	0.802	S	S	*	*			trans	-32.4	136.1	-174	0	0	0	0	0	116.2
3	A	32.1	Very low	31.7	Very low	82 Å²	82	133.8 Å²	133.8	68%	0.678	81%	0.806	S	S	*	*			cis	81.8	113.1	30	0	0	0	0	0	115.8
4	F	30.1	Very low	31.3	Very low	197 Å²	197	131.5 Å²	131.5	86%	0.864	81%	0.809	S	S	*	*			trans	-173.7	90.4	153.6	-93.6	-70.8	0	0	0	105.8
5	T	30.8	Very low	31	Very low	111 Å²	111	138.5 Å²	138.5	68%	0.681	81%	0.814	S	S	*	*				59	105.2	84.8	67.4	0	0	0	0	115.9
6	S	33	Very low	30.8	Very low	115 Å²	115	138.9 Å²	138.9	80%	0.804	82%	0.819	S	S	*	*				18.2	157.7	124.3	-43.4	0	0	0	0	120.5
7	P	44.4	Very low	30.9	Very low	120 Å²	120	138.2 Å²	138.2	78%	0.779	82%	0.817	S	S	*	*			cis	-144.6	-175.7	23.2	44.3	-25.4	0	0	0	117.4
8	C	28.9	Very low	30.9	Very low	119 Å²	119	140.6 Å²	140.6	80%	0.804	82%	0.824	S	S	*	*			trans	-75.8	152.1	156.7	-52.9	0	0	0	0	111.4
9	P	37.7	Very low	30.9	Very low	127 Å²	127	142.1 Å²	142.1	83%	0.825	82%	0.822	S	S	*	*			trans	-102.2	169.7	152	37.5	-29.9	0	0	0	111.4
10	D	27.5	Very low	30.8	Very low	146 Å²	146	141.8 Å²	141.8	78%	0.781	82%	0.823	S	S	*	*			trans	-144.2	163.6	-168.8	-156.7	-2.7	0	0	0	112.1
11	I	28	Very low	30.7	Very low	137 Å²	137	146.4 Å²	146.4	70%	0.703	83%	0.827	S	S	*	*			trans	72.1	129.4	159.5	-67.4	156.8	0	0	0	121.2
12	S	24.1	Very low	30.3	Very low	101 Å²	101	138.5 Å²	138.5	71%	0.706	81%	0.809	S	S	*	*			trans	95.4	100.9	145.5	67.3	0	0	0	0	124.2
13	V	27	Very low	29.9	Very low	142 Å²	142	137.9 Å²	137.9	86%	0.861	81%	0.812	S	S	*	*				42.7	113.5	119.1	-173.3	0	0	0	0	120.4
14	A	25.6	Very low	29.8	Very low	102 Å²	102	139.7 Å²	139.7	84%	0.843	82%	0.819	S	S	*	*			trans	-146.7	149.7	138.6	0	0	0	0	0	110.7
15	R	26.9	Very low	29.7	Very low	236 Å²	236	138.2 Å²	138.2	89%	0.891	82%	0.82	S	S	*	*			trans	-85.3	143.1	-179.6	-67.8	169.3	169	154	-7.3	111.7
16	T	28.1	Very low	29.7	Very low	145 Å²	145	142.3 Å²	142.3	89%	0.89	83%	0.832	S	S	*	*			trans	-135.3	134.2	148.2	-55.2	0	0	0	0	109.2
17	T	32.5	Very low	30	Very low	128 Å²	128	143.4 Å²	143.4	79%	0.785	83%	0.834	S	S	*	*			trans	-91.7	139.6	-178.1	44	0	0	0	0	112.6
18	L	30.1	Very low	29.2	Very low	180 Å²	180	143.1 Å²	143.1	94%	0.942	84%	0.835	S	S	*	*			trans	-143.3	151.7	152.9	-104.8	164.8	0	0	0	109
19	Q	32	Very low	29.3	Very low	170 Å²	170	141.9 Å²	141.9	79%	0.794	83%	0.833	S	S	*	*			trans	-119.1	144.9	-165.3	-105.7	-179.2	-35.3	0	0	112.2
20	T	28.6	Very low	28.8	Very low	136 Å²	136	143 Å²	143	83%	0.834	83%	0.827	S	S	*	*			trans	62.5	156.5	165.6	62.8	0	0	0	0	116
21	R	28.3	Very low	28.9	Very low	239 Å²	239	145 Å²	145	90%	0.902	83%	0.832	S	S	*	*			cis	-141	143.3	3.1	-152.7	172.2	-177.9	174.9	-2.3	108
22	G	26.5	Very low	28.7	Very low	82 Å²	82	146 Å²	146	85%	0.845	84%	0.839	S	S	*	*			trans	-80	154.4	177.2	0	0	0	0	0	112.6
23	G	26.3	Very low	28.8	Very low	81 Å²	81	147.6 Å²	147.6	84%	0.835	84%	0.839	S	S	*	*			trans	-146.7	130.4	168.9	0	0	0	0	0	109.5
24	S	29.9	Very low	28.7	Very low	119 Å²	119	146.5 Å²	146.5	83%	0.832	84%	0.838	S	S	*	*			trans	-156.8	114.6	179.5	54.7	0	0	0	0	108.7
25	D	27.7	Very low	28.7	Very low	166 Å²	166	148.5 Å²	148.5	89%	0.888	82%	0.824	S	S	*	*			trans	-71.7	141.2	-179.8	-62.4	-57.1	0	0	0	112
26	Q	30.7	Very low	28.8	Very low	197 Å²	197	148.7 Å²	148.7	92%	0.921	82%	0.824	S	S	*	*			trans	-140.7	149.8	155.7	-84	-163.5	-15.6	0	0	109.8
27	T	38.5	Very low	28.7	Very low	139 Å²	139	146.3 Å²	146.3	85%	0.853	81%	0.814	S	S	*	*			trans	-116.6	125.6	-170.9	52.2	0	0	0	0	111.7
28	S	28.7	Very low	28.7	Very low	114 Å²	114	149.4 Å²	149.4	80%	0.797	81%	0.811	S	S	*	*			trans	-167.5	137.9	163.4	48.9	0	0	0	0	108
29	A	30.5	Very low	28.7	Very low	93 Å²	93	146.6 Å²	146.6	77%	0.769	81%	0.806	S	S	*	*			cis	75.9	84.8	11.5	0	0	0	0	0	117.1
30	E	28.2	Very low	28.7	Very low	151 Å²	151	143.3 Å²	143.3	71%	0.706	80%	0.802	S	S	*	*			trans	-174.7	120.4	146.5	-94.6	158.5	-157	0	0	103.4	K245	E30-K245 IonicContact OE1-NZ 2.7Å; E30-K245 PolarHBondContact OE1-NZ 3.44Å
31	E	28	Very low	29.1	Very low	188 Å²	188	139.5 Å²	139.5	88%	0.879	78%	0.776	S	S	*	*				51.2	110.2	90.7	-64.4	-172.2	169	0	0	112.7
32	D	24.8	Very low	29.5	Very low	158 Å²	158	133 Å²	133	85%	0.845	76%	0.763	S	S	*	*				82	80.1	61.4	-168.1	31.7	0	0	0	115.9
33	D	25.5	Very low	30.2	Very low	133 Å²	133	131 Å²	131	71%	0.711	74%	0.743	S	S	*	*				-160.8	148.7	121	-171.6	8.2	0	0	0	110	R35	D33-R35 PolarHBondContact OD1-N 3.01Å
34	S	24.4	Very low	31.2	Very low	119 Å²	119	132.2 Å²	132.2	83%	0.832	73%	0.727	S	S	*	*			trans	-166	42	150.7	40.9	0	0	0	0	112.9	R36	S34-R36 PolarHBondContact O-N 2.92Å
35	R	27.3	Very low	32.1	Very low	144 Å²	144	128.9 Å²	128.9	54%	0.543	70%	0.7	S	S	.	*			trans	-87.3	82.3	179.9	-87.7	-174	168.9	165.8	2.8	114.3	D33 E49	D33-R35 PolarHBondContact OD1-N 3.01Å; R35-E49 IonicContact NH2-OE1 3.87Å; R35-E49 PolarHBondContact NH2-OE1 3.43Å
36	R	28.2	Very low	33.6	Very low	240 Å²	240	124.2 Å²	124.2	91%	0.906	68%	0.678	S	S	*	*			trans	-148.5	36.9	157.3	-120.5	168.2	-141	-150.4	6	119.7	S34	S34-R36 PolarHBondContact O-N 2.92Å
37	S	26.9	Very low	34.9	Very low	95 Å²	95	117.4 Å²	117.4	66%	0.664	65%	0.647	S	S	*	*			trans	-99.1	112.2	147.5	-171	0	0	0	0	109.3
38	R	31.8	Very low	35.9	Very low	194 Å²	194	115 Å²	115	73%	0.732	63%	0.629	S	S	*	*			trans	-140	94.7	-176.8	-99.1	-171.7	171.8	178.4	-0.5	113.6
39	S	29.9	Very low	37.5	Very low	120 Å²	120	114.1 Å²	114.1	84%	0.839	61%	0.612	S	S	*	*	S	Bend	trans	-157.2	-25	147.4	58.7	0	0	0	0	113.4
40	S	31.7	Very low	39.1	Very low	102 Å²	102	115.4 Å²	115.4	71%	0.713	60%	0.6	S	S	*	*	S	Bend	trans	-105.3	-24.9	-179.5	51.8	0	0	0	0	115.8	V42	S40-V42 PolarHBondContact O-N 3.35Å
41	D	36.4	Very low	40.9	Very low	55 Å²	55	108.3 Å²	108.3	29%	0.294	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95	9.1	-156.1	-167.6	34.8	0	0	0	116.3	G43 N45	D41-G43 PolarHBondContact O-N 2.96Å; D41-N45 PolarHBondContact O-ND2 3.41Å; D41-N45 PolarHBondContact OD1-ND2 2.93Å; D41-N45 PolarHBondContact OD2-ND2 2.98Å
42	V	37.7	Very low	42.8	Very low	102 Å²	102	104.1 Å²	104.1	62%	0.618	55%	0.547	S	S	*	.	H	α-helix	trans	-71.5	-20.9	-176.6	-176.1	0	0	0	0	112.5	S40 T46	S40-V42 PolarHBondContact O-N 3.35Å; V42-T46 PolarHBondContact O-OG1 2.93Å
43	G	41.9	Very low	44.9	Very low	42 Å²	42	101.4 Å²	101.4	43%	0.433	53%	0.529	S	S	.	.	H	α-helix	trans	-92.1	-19.4	-177	0	0	0	0	0	116.2	D41 T46 I47	D41-G43 PolarHBondContact O-N 2.96Å; G43-T46 PolarHBondContact O-OG1 3.23Å; G43-I47 WeakPolarHBondContact O-CD1 3.13Å; G43-I47 WeakPolarHBondContact O-CG1 3.32Å
44	Q	46	Very low	46.9	Very low	106 Å²	106	97.5 Å²	97.5	50%	0.495	51%	0.506	S	S	.	.	H	α-helix	trans	-87.8	-44.4	-177.6	-61.7	-167.8	-73	0	0	111.3	T46 I47 L48 F114	Q44-T46 VanDerWaalsContact C-N 3.33Å; Q44-T46 PolarHBondContact O-N 3.41Å; Q44-I47 PolarHBondContact O-N 2.99Å; Q44-I47 VanDerWaalsContact O-N 3.08Å; Q44-L48 PolarHBondContact O-N 3.47Å; Q44-L48 VanDerWaalsContact O-N 3.15Å; Q44-F114 HydrophobicContact CG-CZ 4.33Å
45	N	49.9	Very low	49.2	Very low	48 Å²	48	92.4 Å²	92.4	26%	0.257	47%	0.469	S	S	.	.	H	α-helix	trans	-54.1	-44.8	176	-70.9	-88.3	0	0	0	112.9	D41 I47 L48 E49	D41-N45 PolarHBondContact O-ND2 3.41Å; D41-N45 PolarHBondContact OD1-ND2 2.93Å; D41-N45 PolarHBondContact OD2-ND2 2.98Å; N45-I47 VanDerWaalsContact C-N 3.26Å; N45-I47 PolarHBondContact O-N 3.36Å; N45-L48 PolarHBondContact O-N 3.45Å; N45-E49 WeakPolarHBondContact O-CB 3.47Å; N45-E49 VanDerWaalsContact O-CG 3.31Å; N45-E49 WeakPolarHBondContact O-CG 3.45Å; N45-E49 PolarHBondContact O-N 3.34Å
46	T	57.8	Low	51.2	Low	69 Å²	69	91 Å²	91	42%	0.423	47%	0.469	S	S	.	.	H	α-helix	trans	-67.1	-23.8	179.7	49.7	0	0	0	0	114	V42 G43 Q44 K50	V42-T46 PolarHBondContact O-OG1 2.93Å; G43-T46 PolarHBondContact O-OG1 3.23Å; Q44-T46 VanDerWaalsContact C-N 3.33Å; Q44-T46 PolarHBondContact O-N 3.41Å; T46-K50 WeakPolarHBondContact O-CB 3.44Å; T46-K50 VanDerWaalsContact O-CG 3.23Å; T46-K50 WeakPolarHBondContact O-CG 3.5Å; T46-K50 PolarHBondContact O-N 2.88Å
47	I	59.4	Low	52.9	Low	54 Å²	54	84.9 Å²	84.9	28%	0.277	45%	0.452	S	S	.	.	H	α-helix	trans	-77.3	-41.1	173.5	-65.4	170.9	0	0	0	109.9	G43 Q44 N45 K50 T51 L113 F114	G43-I47 WeakPolarHBondContact O-CD1 3.13Å; G43-I47 WeakPolarHBondContact O-CG1 3.32Å; Q44-I47 PolarHBondContact O-N 2.99Å; Q44-I47 VanDerWaalsContact O-N 3.08Å; N45-I47 VanDerWaalsContact C-N 3.26Å; N45-I47 PolarHBondContact O-N 3.36Å; I47-K50 PolarHBondContact O-N 2.94Å; I47-T51 WeakPolarHBondContact O-CB 3.42Å; I47-T51 PolarHBondContact O-N 3.4Å; I47-T51 PolarHBondContact O-OG1 3.06Å; I47-L113 HydrophobicContact CG2-CD1 3.9Å; I47-F114 HydrophobicContact CD1-CZ 4.42Å
48	L	59.7	Low	54.9	Low	89 Å²	89	80.6 Å²	80.6	47%	0.466	42%	0.421	S	S	.	.	H	α-helix	trans	-65.3	-45.9	176	-69.2	167.9	0	0	0	111.7	Q44 N45 K50 T51 H52	Q44-L48 PolarHBondContact O-N 3.47Å; Q44-L48 VanDerWaalsContact O-N 3.15Å; N45-L48 PolarHBondContact O-N 3.45Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 3.49Å; L48-T51 PolarHBondContact O-N 2.94Å; L48-T51 VanDerWaalsContact O-N 3.1Å; L48-H52 PolarHBondContact O-N 3.49Å
49	E	61.3	Low	56.9	Low	94 Å²	94	72 Å²	72	44%	0.439	39%	0.39	S	S	.	.	H	α-helix	trans	-53	-48.9	172.5	-71.4	164.3	-171.3	0	0	110.7	R35 N45 T51 H52 E53	R35-E49 IonicContact NH2-OE1 3.87Å; R35-E49 PolarHBondContact NH2-OE1 3.43Å; N45-E49 WeakPolarHBondContact O-CB 3.47Å; N45-E49 VanDerWaalsContact O-CG 3.31Å; N45-E49 WeakPolarHBondContact O-CG 3.45Å; N45-E49 PolarHBondContact O-N 3.34Å; E49-T51 PolarHBondContact O-N 2.98Å; E49-H52 PolarHBondContact O-N 3.11Å; E49-E53 PolarHBondContact O-N 3.39Å
50	K	63.5	Low	58.4	Low	121 Å²	121	70.6 Å²	70.6	53%	0.526	38%	0.376	S	S	.	.	H	α-helix	trans	-67.1	-31	176.7	-75.4	-76	165.6	-123.3	0	114.3	T46 I47 L48 E53 F54	T46-K50 WeakPolarHBondContact O-CB 3.44Å; T46-K50 VanDerWaalsContact O-CG 3.23Å; T46-K50 WeakPolarHBondContact O-CG 3.5Å; T46-K50 PolarHBondContact O-N 2.88Å; I47-K50 PolarHBondContact O-N 2.94Å; L48-K50 VanDerWaalsContact C-N 3.33Å; L48-K50 PolarHBondContact O-N 3.49Å; K50-E53 WeakPolarHBondContact CD-OE2 3.23Å; K50-E53 IonicContact NZ-OE1 3.94Å; K50-E53 PolarHBondContact NZ-OE1 2.98Å; K50-E53 IonicContact NZ-OE2 3.49Å; K50-E53 PolarHBondContact NZ-OE2 3.07Å; K50-F54 WeakPolarHBondContact O-CB 3.35Å; K50-F54 PolarHBondContact O-N 3.18Å; K50-F54 VanDerWaalsContact O-N 3.08Å
51	T	66.5	Low	60	Low	2 Å²	2	70.5 Å²	70.5	1%	0.012	37%	0.365	C	S	.	.	H	α-helix	trans	-72.3	-35.3	177.3	-55.1	0	0	0	0	110.8	I47 L48 E49 F54 F55 F105 F109	I47-T51 WeakPolarHBondContact O-CB 3.42Å; I47-T51 PolarHBondContact O-N 3.4Å; I47-T51 PolarHBondContact O-OG1 3.06Å; L48-T51 PolarHBondContact O-N 2.94Å; L48-T51 VanDerWaalsContact O-N 3.1Å; E49-T51 PolarHBondContact O-N 2.98Å; T51-F54 PolarHBondContact O-N 3.03Å; T51-F55 PolarHBondContact O-N 3.33Å; T51-F105 HydrophobicContact CG2-CD1 3.8Å; T51-F105 HydrophobicContact CG2-CE1 3.58Å; T51-F109 HydrophobicContact CG2-CB 4.06Å; T51-F109 HydrophobicContact CG2-CD1 3.61Å; T51-F109 HydrophobicContact CG2-CE1 4.36Å; T51-F109 HydrophobicContact CG2-CG 4.12Å; T51-F109 WeakPolarHBondContact OG1-CD1 3.44Å
52	H	67.8	Low	61.3	Low	99 Å²	99	73.9 Å²	73.9	46%	0.458	38%	0.383	S	S	.	.	H	α-helix	trans	-72	-39.4	174.6	-164.2	-51.6	0	0	0	112.5	L48 E49 F54 F55 Q56	L48-H52 PolarHBondContact O-N 3.49Å; E49-H52 PolarHBondContact O-N 3.11Å; H52-F54 VanDerWaalsContact C-N 3.29Å; H52-F54 PolarHBondContact O-N 3.32Å; H52-F55 PolarHBondContact O-N 3.49Å; H52-Q56 PolarHBondContact O-N 3.12Å; H52-Q56 VanDerWaalsContact O-N 3.15Å
53	E	68.6	Low	62.9	Low	101 Å²	101	72.6 Å²	72.6	47%	0.472	37%	0.369	S	S	.	.	H	α-helix	trans	-55.7	-45.9	168.6	-75.2	177.3	-157.9	0	0	111.1	E49 K50 Q56 M57	E49-E53 PolarHBondContact O-N 3.39Å; K50-E53 WeakPolarHBondContact CD-OE2 3.23Å; K50-E53 IonicContact NZ-OE1 3.94Å; K50-E53 PolarHBondContact NZ-OE1 2.98Å; K50-E53 IonicContact NZ-OE2 3.49Å; K50-E53 PolarHBondContact NZ-OE2 3.07Å; E53-Q56 PolarHBondContact O-N 3.28Å; E53-M57 PolarHBondContact O-N 3.44Å
54	F	68.3	Low	64.1	Low	51 Å²	51	72.8 Å²	72.8	22%	0.224	37%	0.371	C	S	.	.	H	α-helix	trans	-68.9	-39.3	-178.2	-168.9	-87.8	0	0	0	112.7	K50 T51 H52 Q56 M57 C58 M71 L74 L78 F105	K50-F54 WeakPolarHBondContact O-CB 3.35Å; K50-F54 PolarHBondContact O-N 3.18Å; K50-F54 VanDerWaalsContact O-N 3.08Å; T51-F54 PolarHBondContact O-N 3.03Å; H52-F54 VanDerWaalsContact C-N 3.29Å; H52-F54 PolarHBondContact O-N 3.32Å; F54-Q56 VanDerWaalsContact C-N 3.26Å; F54-Q56 PolarHBondContact O-N 3.22Å; F54-M57 WeakPolarHBondContact O-CB 3.45Å; F54-M57 PolarHBondContact O-N 3.23Å; F54-M57 VanDerWaalsContact O-N 3.14Å; F54-C58 PolarHBondContact O-N 2.88Å; F54-C58 VanDerWaalsContact O-N 3.09Å; F54-C58 PolarHBondContact O-SG 2.95Å; F54-C58 VanDerWaalsContact O-SG 3.32Å; F54-M71 HydrophobicContact CE1-CE 4.12Å; F54-L74 HydrophobicContact CE1-CD1 4.01Å; F54-L74 HydrophobicContact CZ-CD1 3.61Å; F54-L78 HydrophobicContact CE2-CD1 4.03Å; F54-L78 HydrophobicContact CZ-CD1 3.74Å; F54-F105 HydrophobicContact CD1-CE1 4.1Å; F54-F105 AromaticContact CD1-CZ 3.63Å; F54-F105 HydrophobicContact CD1-CZ 3.63Å; F54-F105 HydrophobicContact CE1-CZ 4.06Å
55	F	72.1	Confident	65.6	Low	12 Å²	12	71.3 Å²	71.3	5%	0.053	36%	0.363	C	S	.	.	H	α-helix	trans	-57.1	-41.8	172.1	-173.7	-84.5	0	0	0	111.5	T51 H52 M57 C58 D59 I66 L102 F105	T51-F55 PolarHBondContact O-N 3.33Å; H52-F55 PolarHBondContact O-N 3.49Å; F55-M57 VanDerWaalsContact C-N 3.34Å; F55-M57 PolarHBondContact O-N 3.44Å; F55-C58 WeakPolarHBondContact O-CB 3.46Å; F55-C58 PolarHBondContact O-N 3.41Å; F55-D59 HydrophobicContact CE1-CB 4.36Å; F55-D59 PolarHBondContact O-N 3Å; F55-I66 HydrophobicContact CD2-CD1 3.33Å; F55-I66 HydrophobicContact CD2-CG1 4.03Å; F55-I66 HydrophobicContact CE2-CD1 3.52Å; F55-I66 HydrophobicContact CE2-CG1 3.74Å; F55-I66 HydrophobicContact CG-CD1 3.95Å; F55-I66 HydrophobicContact CZ-CD1 4.28Å; F55-I66 HydrophobicContact CZ-CG1 4.07Å; F55-L102 HydrophobicContact CB-CD1 3.95Å; F55-L102 HydrophobicContact CD1-CD1 3.79Å; F55-L102 HydrophobicContact CD2-CD1 3.9Å; F55-L102 HydrophobicContact CE1-CB 4.24Å; F55-L102 HydrophobicContact CE1-CD1 4.25Å; F55-L102 HydrophobicContact CE2-CB 4.14Å; F55-L102 HydrophobicContact CE2-CD1 4.34Å; F55-L102 HydrophobicContact CG-CD1 3.6Å; F55-L102 HydrophobicContact CZ-CB 3.97Å; F55-L102 HydrophobicContact CZ-CD1 4.5Å; F55-F105 HydrophobicContact CB-CD1 4.01Å; F55-F105 HydrophobicContact CB-CE1 4.25Å; F55-F105 HydrophobicContact CD2-CB 3.75Å; F55-F105 AromaticContact CD2-CD1 3.7Å; F55-F105 HydrophobicContact CD2-CD1 3.7Å; F55-F105 AromaticContact CD2-CG 3.78Å; F55-F105 HydrophobicContact CD2-CG 3.78Å; F55-F105 HydrophobicContact CE2-CB 4.01Å; F55-F105 HydrophobicContact CE2-CG 4.45Å; F55-F105 HydrophobicContact CG-CD1 4.36Å
56	Q	70.6	Confident	67	Low	116 Å²	116	69 Å²	69	54%	0.542	35%	0.351	S	S	.	.	H	α-helix	trans	-71.7	-25.4	178.3	-166.2	167.5	37.3	0	0	113.4	H52 E53 F54	H52-Q56 PolarHBondContact O-N 3.12Å; H52-Q56 VanDerWaalsContact O-N 3.15Å; E53-Q56 PolarHBondContact O-N 3.28Å; F54-Q56 VanDerWaalsContact C-N 3.26Å; F54-Q56 PolarHBondContact O-N 3.22Å
57	M	64.1	Low	67.9	Low	111 Å²	111	67.1 Å²	67.1	55%	0.547	34%	0.339	S	S	.	.	H	α-helix	trans	-70.9	-31.9	168.7	-73	-69.2	-63.3	0	0	112.5	E53 F54 F55 T60	E53-M57 PolarHBondContact O-N 3.44Å; F54-M57 WeakPolarHBondContact O-CB 3.45Å; F54-M57 PolarHBondContact O-N 3.23Å; F54-M57 VanDerWaalsContact O-N 3.14Å; F55-M57 VanDerWaalsContact C-N 3.34Å; F55-M57 PolarHBondContact O-N 3.44Å; M57-T60 WeakPolarHBondContact O-CG2 3.37Å
58	C	67.5	Low	68.7	Low	4 Å²	4	68.9 Å²	68.9	3%	0.027	34%	0.342	C	S	.	.	H	α-helix	trans	-71.8	-51	172.1	-59.5	0	0	0	0	111.5	F54 F55 T60 I66	F54-C58 PolarHBondContact O-N 2.88Å; F54-C58 VanDerWaalsContact O-N 3.09Å; F54-C58 PolarHBondContact O-SG 2.95Å; F54-C58 VanDerWaalsContact O-SG 3.32Å; F55-C58 WeakPolarHBondContact O-CB 3.46Å; F55-C58 PolarHBondContact O-N 3.41Å; C58-T60 PolarHBondContact O-N 2.9Å; C58-I66 HydrophobicContact CB-CD1 3.43Å; C58-I66 VanDerWaalsContact CB-CD1 3.43Å; C58-I66 HydrophobicContact CB-CG1 3.7Å; C58-I66 HydrophobicContact CB-CG2 4.15Å
59	D	73.4	Confident	69.1	Low	13 Å²	13	73.7 Å²	73.7	7%	0.07	35%	0.354	C	S	.	.			trans	-82.6	58.8	-176.4	-171	16.2	0	0	0	112.8	F55 E61 N62 K63 G64	F55-D59 HydrophobicContact CE1-CB 4.36Å; F55-D59 PolarHBondContact O-N 3Å; D59-E61 PolarHBondContact O-N 3.04Å; D59-N62 PolarHBondContact O-N 2.94Å; D59-N62 PolarHBondContact OD1-N 2.82Å; D59-N62 WeakPolarHBondContact OD2-CA 3.3Å; D59-K63 PolarHBondContact OD1-N 2.89Å; D59-K63 PolarHBondContact OD2-N 3.31Å; D59-G64 PolarHBondContact OD2-N 2.96Å
60	T	61.8	Low	69.7	Low	91 Å²	91	69.5 Å²	69.5	56%	0.558	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-10.3	174.3	49.8	0	0	0	0	114.8	M57 C58	M57-T60 WeakPolarHBondContact O-CG2 3.37Å; C58-T60 PolarHBondContact O-N 2.9Å
61	E	67	Low	70.1	Confident	101 Å²	101	64 Å²	64	47%	0.472	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	1	-179.5	-68.4	170.2	-123.8	0	0	112.9	D59 K63 R73	D59-E61 PolarHBondContact O-N 3.04Å; E61-K63 HydrophobicContact CB-CD 4.23Å; E61-K63 HydrophobicContact CB-CG 4.2Å; E61-K63 IonicContact OE1-NZ 3.51Å; E61-K63 PolarHBondContact OE1-NZ 2.83Å; E61-K63 WeakPolarHBondContact OE2-CE 3.36Å; E61-K63 IonicContact OE2-NZ 3.54Å; E61-K63 PolarHBondContact OE2-NZ 3.16Å; E61-R73 IonicContact OE1-CZ 3.54Å; E61-R73 VanDerWaalsContact OE1-CZ 3.25Å; E61-R73 IonicContact OE1-NH1 3.77Å; E61-R73 PolarHBondContact OE1-NH1 2.95Å; E61-R73 IonicContact OE1-NH2 2.85Å; E61-R73 PolarHBondContact OE1-NH2 2.99Å
62	N	63.5	Low	70.1	Confident	126 Å²	126	67.4 Å²	67.4	67%	0.674	33%	0.327	S	S	*	.			trans	50.2	50.5	-178.8	-63.4	-87.5	0	0	0	114.1	D59	D59-N62 PolarHBondContact O-N 2.94Å; D59-N62 PolarHBondContact OD1-N 2.82Å; D59-N62 WeakPolarHBondContact OD2-CA 3.3Å
63	K	70.4	Confident	70.1	Confident	75 Å²	75	69.2 Å²	69.2	33%	0.326	33%	0.33	S	S	.	.			trans	-83.3	-21.5	177.4	-66.1	165.3	-177.3	152.9	0	113.9	D59 E61 F65	D59-K63 PolarHBondContact OD1-N 2.89Å; D59-K63 PolarHBondContact OD2-N 3.31Å; E61-K63 HydrophobicContact CB-CD 4.23Å; E61-K63 HydrophobicContact CB-CG 4.2Å; E61-K63 IonicContact OE1-NZ 3.51Å; E61-K63 PolarHBondContact OE1-NZ 2.83Å; E61-K63 WeakPolarHBondContact OE2-CE 3.36Å; E61-K63 IonicContact OE2-NZ 3.54Å; E61-K63 PolarHBondContact OE2-NZ 3.16Å; K63-F65 VanDerWaalsContact C-N 3.32Å; K63-F65 HydrophobicContact CB-CD1 4.05Å; K63-F65 HydrophobicContact CB-CD2 4.49Å; K63-F65 HydrophobicContact CB-CE1 3.84Å; K63-F65 HydrophobicContact CB-CE2 4.3Å; K63-F65 HydrophobicContact CB-CG 4.39Å; K63-F65 HydrophobicContact CB-CZ 3.98Å; K63-F65 HydrophobicContact CD-CE2 4.18Å; K63-F65 HydrophobicContact CD-CZ 4.25Å; K63-F65 HydrophobicContact CG-CZ 4.44Å; K63-F65 WeakPolarHBondContact O-CD1 3.4Å
64	G	67.9	Low	69.8	Low	46 Å²	46	65 Å²	65	47%	0.474	31%	0.31	S	S	.	.	S	Bend	trans	82.6	4.1	-171.7	0	0	0	0	0	114.5	D59	D59-G64 PolarHBondContact OD2-N 2.96Å
65	F	77.8	Confident	69.1	Low	74 Å²	74	67 Å²	67	33%	0.325	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	148.9	178.4	59.9	-96.7	0	0	0	111.3	K63 T67 F99 L100	K63-F65 VanDerWaalsContact C-N 3.32Å; K63-F65 HydrophobicContact CB-CD1 4.05Å; K63-F65 HydrophobicContact CB-CD2 4.49Å; K63-F65 HydrophobicContact CB-CE1 3.84Å; K63-F65 HydrophobicContact CB-CE2 4.3Å; K63-F65 HydrophobicContact CB-CG 4.39Å; K63-F65 HydrophobicContact CB-CZ 3.98Å; K63-F65 HydrophobicContact CD-CE2 4.18Å; K63-F65 HydrophobicContact CD-CZ 4.25Å; K63-F65 HydrophobicContact CG-CZ 4.44Å; K63-F65 WeakPolarHBondContact O-CD1 3.4Å; F65-T67 HydrophobicContact CD2-CG2 4.22Å; F65-T67 HydrophobicContact CE2-CG2 4.04Å; F65-F99 HydrophobicContact CB-CB 4.46Å; F65-F99 HydrophobicContact CD2-CB 4.26Å; F65-F99 AromaticContact CD2-CD1 3.59Å; F65-F99 HydrophobicContact CD2-CD1 3.59Å; F65-F99 HydrophobicContact CD2-CE1 4.44Å; F65-F99 HydrophobicContact CD2-CG 4.36Å; F65-F99 AromaticContact CE2-CD1 3.61Å; F65-F99 HydrophobicContact CE2-CD1 3.61Å; F65-F99 HydrophobicContact CE2-CE1 4.01Å; F65-L100 CarbonylContact C-O 3.57Å; F65-L100 VanDerWaalsContact CA-O 3.28Å; F65-L100 WeakPolarHBondContact CA-O 3.49Å
66	I	77.6	Confident	68.4	Low	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.2	178.9	-59.3	167	0	0	0	109.2	F55 C58 D70 M71 F89 L100 F105	F55-I66 HydrophobicContact CD2-CD1 3.33Å; F55-I66 HydrophobicContact CD2-CG1 4.03Å; F55-I66 HydrophobicContact CE2-CD1 3.52Å; F55-I66 HydrophobicContact CE2-CG1 3.74Å; F55-I66 HydrophobicContact CG-CD1 3.95Å; F55-I66 HydrophobicContact CZ-CD1 4.28Å; F55-I66 HydrophobicContact CZ-CG1 4.07Å; C58-I66 HydrophobicContact CB-CD1 3.43Å; C58-I66 VanDerWaalsContact CB-CD1 3.43Å; C58-I66 HydrophobicContact CB-CG1 3.7Å; C58-I66 HydrophobicContact CB-CG2 4.15Å; I66-D70 HydrophobicContact CG2-CB 4.13Å; I66-M71 HydrophobicContact CG2-CG 4.05Å; I66-F89 HydrophobicContact CG2-CE2 4.46Å; I66-F89 WeakPolarHBondContact O-CE2 3.49Å; I66-L100 HydrophobicContact CB-CB 4.34Å; I66-L100 PolarHBondContact N-O 2.68Å; I66-L100 PolarHBondContact O-N 2.7Å; I66-F105 HydrophobicContact CD1-CD2 4.36Å; I66-F105 HydrophobicContact CD1-CG 4.5Å
67	T	78.4	Confident	67.8	Low	29 Å²	29	71.2 Å²	71.2	18%	0.178	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	160.5	170.1	78	0	0	0	0	111.4	F65 R69 D70 M71 F89 F99	F65-T67 HydrophobicContact CD2-CG2 4.22Å; F65-T67 HydrophobicContact CE2-CG2 4.04Å; T67-R69 PolarHBondContact O-N 3.21Å; T67-R69 VanDerWaalsContact O-N 3.1Å; T67-R69 PolarHBondContact OG1-N 3.2Å; T67-D70 VanDerWaalsContact CB-OD2 3.31Å; T67-D70 WeakPolarHBondContact CB-OD2 3.36Å; T67-D70 WeakPolarHBondContact CG2-OD2 3.31Å; T67-D70 PolarHBondContact N-OD2 2.82Å; T67-D70 VanDerWaalsContact N-OD2 3.13Å; T67-D70 PolarHBondContact O-N 3.21Å; T67-D70 VanDerWaalsContact OG1-CG 3.26Å; T67-D70 PolarHBondContact OG1-N 2.92Å; T67-D70 PolarHBondContact OG1-OD2 3.35Å; T67-M71 PolarHBondContact O-N 3.04Å; T67-F89 VanDerWaalsContact C-CE2 3.41Å; T67-F99 HydrophobicContact CG2-CD1 3.85Å; T67-F99 HydrophobicContact CG2-CE1 3.99Å
68	R	74.9	Confident	67.4	Low	91 Å²	91	69 Å²	69	34%	0.343	35%	0.353	S	S	.	.	H	α-helix	trans	-51.2	-35.2	173.6	-171.8	-175.2	-76.2	-151.9	5.8	112.9	D70 Q72 E86 F89 D90	R68-D70 VanDerWaalsContact C-N 3.34Å; R68-Q72 WeakPolarHBondContact O-CG 3.49Å; R68-Q72 PolarHBondContact O-N 2.77Å; R68-Q72 VanDerWaalsContact O-N 3.09Å; R68-E86 WeakPolarHBondContact CD-OE2 3.45Å; R68-E86 HydrophobicContact CG-CG 3.94Å; R68-E86 IonicContact CZ-OE2 2.63Å; R68-E86 IonicContact NE-OE2 3.32Å; R68-E86 IonicContact NH1-OE2 3.38Å; R68-E86 PolarHBondContact NH1-OE2 3.25Å; R68-F89 HydrophobicContact CB-CD1 4.22Å; R68-F89 HydrophobicContact CB-CD2 4.38Å; R68-F89 HydrophobicContact CB-CE1 4.18Å; R68-F89 HydrophobicContact CB-CE2 4.34Å; R68-F89 HydrophobicContact CB-CG 4.33Å; R68-F89 HydrophobicContact CB-CZ 4.25Å; R68-F89 HydrophobicContact CG-CD1 4.47Å; R68-F89 HydrophobicContact CG-CG 4.45Å; R68-F89 VanDerWaalsContact N-CE2 3.28Å; R68-D90 IonicContact CZ-OD1 3.82Å; R68-D90 VanDerWaalsContact CZ-OD1 3.3Å; R68-D90 IonicContact CZ-OD2 2.68Å; R68-D90 IonicContact NE-OD1 3.52Å; R68-D90 IonicContact NH1-OD2 3.65Å; R68-D90 IonicContact NH2-OD1 2.66Å; R68-D90 PolarHBondContact NH2-OD1 2.9Å; R68-D90 IonicContact NH2-OD2 3.41Å; R68-D90 PolarHBondContact NH2-OD2 3.36Å
69	R	69.3	Low	66.7	Low	191 Å²	191	74.8 Å²	74.8	72%	0.721	39%	0.39	S	S	*	.	H	α-helix	trans	-70.3	-28.1	176.2	-71.3	-172.6	-175.6	131.7	3.1	113.7	T67 Q72 R73	T67-R69 PolarHBondContact O-N 3.21Å; T67-R69 VanDerWaalsContact O-N 3.1Å; T67-R69 PolarHBondContact OG1-N 3.2Å; R69-Q72 PolarHBondContact O-N 3.48Å; R69-R73 WeakPolarHBondContact O-CG 3.29Å; R69-R73 PolarHBondContact O-N 3.48Å
70	D	73.5	Confident	66	Low	6 Å²	6	77.3 Å²	77.3	3%	0.032	40%	0.403	C	S	.	.	H	α-helix	trans	-78.9	-35.8	180	-53.4	-47.8	0	0	0	109.9	I66 T67 R68 R73	I66-D70 HydrophobicContact CG2-CB 4.13Å; T67-D70 VanDerWaalsContact CB-OD2 3.31Å; T67-D70 WeakPolarHBondContact CB-OD2 3.36Å; T67-D70 WeakPolarHBondContact CG2-OD2 3.31Å; T67-D70 PolarHBondContact N-OD2 2.82Å; T67-D70 VanDerWaalsContact N-OD2 3.13Å; T67-D70 PolarHBondContact O-N 3.21Å; T67-D70 VanDerWaalsContact OG1-CG 3.26Å; T67-D70 PolarHBondContact OG1-N 2.92Å; T67-D70 PolarHBondContact OG1-OD2 3.35Å; R68-D70 VanDerWaalsContact C-N 3.34Å; D70-R73 WeakPolarHBondContact O-CB 3.44Å; D70-R73 PolarHBondContact O-N 3.03Å; D70-R73 IonicContact OD1-CZ 3.55Å; D70-R73 IonicContact OD1-NE 2.66Å; D70-R73 PolarHBondContact OD1-NE 2.99Å; D70-R73 IonicContact OD1-NH1 2.82Å; D70-R73 IonicContact OD1-NH2 3.77Å; D70-R73 PolarHBondContact OD1-NH2 3Å
71	M	71.7	Confident	66.4	Low	6 Å²	6	75.3 Å²	75.3	3%	0.03	39%	0.393	C	S	.	.	H	α-helix	trans	-60.5	-41.5	165.2	-95.3	-68.4	176.3	0	0	112.8	F54 I66 T67 R73 L74 L85 F89 F105	F54-M71 HydrophobicContact CE1-CE 4.12Å; I66-M71 HydrophobicContact CG2-CG 4.05Å; T67-M71 PolarHBondContact O-N 3.04Å; M71-R73 PolarHBondContact O-N 2.85Å; M71-L74 WeakPolarHBondContact O-CB 3.3Å; M71-L74 PolarHBondContact O-N 3.49Å; M71-L74 VanDerWaalsContact O-N 3.12Å; M71-L74 HydrophobicContact SD-CD1 3.88Å; M71-L85 HydrophobicContact SD-CD2 4.23Å; M71-F89 HydrophobicContact CB-CD2 4.26Å; M71-F89 HydrophobicContact CG-CD2 3.97Å; M71-F105 HydrophobicContact CE-CD2 4.45Å; M71-F105 HydrophobicContact CE-CE2 3.6Å; M71-F105 HydrophobicContact CE-CZ 4.27Å
72	Q	66.8	Low	66.2	Low	72 Å²	72	71.9 Å²	71.9	34%	0.336	38%	0.382	S	S	.	.	H	α-helix	trans	-59.6	-24.4	175.1	-73.8	169.7	-12.3	0	0	113.3	R68 R69 L74 N75 E86	R68-Q72 WeakPolarHBondContact O-CG 3.49Å; R68-Q72 PolarHBondContact O-N 2.77Å; R68-Q72 VanDerWaalsContact O-N 3.09Å; R69-Q72 PolarHBondContact O-N 3.48Å; Q72-L74 PolarHBondContact O-N 2.74Å; Q72-N75 VanDerWaalsContact O-CB 3.31Å; Q72-N75 WeakPolarHBondContact O-CB 3.37Å; Q72-N75 PolarHBondContact O-N 3.17Å; Q72-E86 PolarHBondContact NE2-OE1 3.19Å
73	R	67.1	Low	66.3	Low	137 Å²	137	71.5 Å²	71.5	52%	0.517	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-21	177.1	-61.7	176.6	-163.3	-171.4	8.1	113	E61 R69 D70 M71 N75	E61-R73 IonicContact OE1-CZ 3.54Å; E61-R73 VanDerWaalsContact OE1-CZ 3.25Å; E61-R73 IonicContact OE1-NH1 3.77Å; E61-R73 PolarHBondContact OE1-NH1 2.95Å; E61-R73 IonicContact OE1-NH2 2.85Å; E61-R73 PolarHBondContact OE1-NH2 2.99Å; R69-R73 WeakPolarHBondContact O-CG 3.29Å; R69-R73 PolarHBondContact O-N 3.48Å; D70-R73 WeakPolarHBondContact O-CB 3.44Å; D70-R73 PolarHBondContact O-N 3.03Å; D70-R73 IonicContact OD1-CZ 3.55Å; D70-R73 IonicContact OD1-NE 2.66Å; D70-R73 PolarHBondContact OD1-NE 2.99Å; D70-R73 IonicContact OD1-NH1 2.82Å; D70-R73 IonicContact OD1-NH2 3.77Å; D70-R73 PolarHBondContact OD1-NH2 3Å; M71-R73 PolarHBondContact O-N 2.85Å; R73-N75 VanDerWaalsContact C-N 3.26Å; R73-N75 PolarHBondContact O-N 3.32Å
74	L	61.4	Low	66.2	Low	13 Å²	13	72.5 Å²	72.5	7%	0.068	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-5	178.4	-64.5	173.6	0	0	0	114.1	F54 M71 Q72 G76 E77 L78	F54-L74 HydrophobicContact CE1-CD1 4.01Å; F54-L74 HydrophobicContact CZ-CD1 3.61Å; M71-L74 WeakPolarHBondContact O-CB 3.3Å; M71-L74 PolarHBondContact O-N 3.49Å; M71-L74 VanDerWaalsContact O-N 3.12Å; M71-L74 HydrophobicContact SD-CD1 3.88Å; Q72-L74 PolarHBondContact O-N 2.74Å; L74-G76 VanDerWaalsContact C-N 3.27Å; L74-G76 PolarHBondContact O-N 3.41Å; L74-E77 PolarHBondContact O-N 3.42Å; L74-L78 PolarHBondContact O-N 3.14Å
75	N	55.1	Low	66.2	Low	93 Å²	93	70.6 Å²	70.6	50%	0.497	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-67.2	83.3	175.6	-176.9	12.3	0	0	0	110.7	Q72 R73 L85	Q72-N75 VanDerWaalsContact O-CB 3.31Å; Q72-N75 WeakPolarHBondContact O-CB 3.37Å; Q72-N75 PolarHBondContact O-N 3.17Å; R73-N75 VanDerWaalsContact C-N 3.26Å; R73-N75 PolarHBondContact O-N 3.32Å; N75-L85 HydrophobicContact CB-CD1 4.14Å
76	G	57.2	Low	65.8	Low	72 Å²	72	69.4 Å²	69.4	74%	0.742	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	153.2	-29.7	-171.4	0	0	0	0	0	113.3	L74	L74-G76 VanDerWaalsContact C-N 3.27Å; L74-G76 PolarHBondContact O-N 3.41Å
77	E	57.3	Low	65.4	Low	144 Å²	144	75 Å²	75	67%	0.673	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-22.9	175.9	-62.2	-162.4	164.2	0	0	113	L74	L74-E77 PolarHBondContact O-N 3.42Å
78	L	56.3	Low	65	Low	65 Å²	65	75 Å²	75	34%	0.34	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-113.1	149.4	173.8	-71.4	178.8	0	0	0	112.4	F54 L74 L80	F54-L78 HydrophobicContact CE2-CD1 4.03Å; F54-L78 HydrophobicContact CZ-CD1 3.74Å; L74-L78 PolarHBondContact O-N 3.14Å; L78-L80 PolarHBondContact O-N 2.95Å
79	P	51.7	Low	65	Low	125 Å²	125	70.7 Å²	70.7	81%	0.812	37%	0.374	S	S	*	.	S	Bend	trans	-82.8	51.9	179.7	36.9	-37.7	0	0	0	112
80	L	60.4	Low	65.2	Low	66 Å²	66	65.5 Å²	65.5	35%	0.346	36%	0.36	S	S	.	.			trans	-133.3	144.5	179.2	-66	175.1	0	0	0	109.8	L78 E84 L85	L78-L80 PolarHBondContact O-N 2.95Å; L80-E84 HydrophobicContact CB-CB 4.39Å; L80-E84 HydrophobicContact CD2-CB 4.49Å; L80-L85 HydrophobicContact CB-CG 4.24Å; L80-L85 HydrophobicContact CD1-CD2 4.45Å
81	S	69.9	Low	65.1	Low	50 Å²	50	68.2 Å²	68.2	35%	0.35	38%	0.38	S	S	.	.			trans	-75.1	163.3	174.5	64	0	0	0	0	112.4	D83 E84 L85	S81-D83 VanDerWaalsContact C-N 3.27Å; S81-D83 PolarHBondContact O-N 2.85Å; S81-E84 VanDerWaalsContact CB-OE2 3.32Å; S81-E84 WeakPolarHBondContact CB-OE2 3.34Å; S81-E84 PolarHBondContact N-OE2 3.29Å; S81-E84 PolarHBondContact O-N 2.71Å; S81-E84 VanDerWaalsContact OG-CG 3.31Å; S81-E84 WeakPolarHBondContact OG-CG 3.38Å; S81-E84 PolarHBondContact OG-N 2.79Å; S81-E84 PolarHBondContact OG-OE2 3.32Å; S81-L85 PolarHBondContact O-N 3.41Å
82	A	62.9	Low	65.1	Low	29 Å²	29	68 Å²	68	24%	0.24	38%	0.378	C	S	.	.	H	α-helix	trans	-57.6	-41	176.5	0	0	0	0	0	112.2	E84 L85 E86	A82-E84 PolarHBondContact O-N 3.09Å; A82-L85 PolarHBondContact O-N 2.96Å; A82-E86 PolarHBondContact O-N 3.13Å
83	D	65.2	Low	65.7	Low	118 Å²	118	65.4 Å²	65.4	63%	0.631	37%	0.367	S	S	*	.	H	α-helix	trans	-65.6	-38.5	178.9	-54.9	-25.6	0	0	0	111.2	S81 E86 N87	S81-D83 VanDerWaalsContact C-N 3.27Å; S81-D83 PolarHBondContact O-N 2.85Å; D83-E86 PolarHBondContact O-N 2.93Å; D83-N87 PolarHBondContact O-N 2.99Å; D83-N87 PolarHBondContact O-ND2 3.33Å
84	E	67.1	Low	65.6	Low	96 Å²	96	63.9 Å²	63.9	45%	0.449	38%	0.378	S	S	.	.	H	α-helix	trans	-68	-36.4	174.2	-71.4	166.1	121.5	0	0	112.2	L80 S81 A82 N87 V88	L80-E84 HydrophobicContact CB-CB 4.39Å; L80-E84 HydrophobicContact CD2-CB 4.49Å; S81-E84 VanDerWaalsContact CB-OE2 3.32Å; S81-E84 WeakPolarHBondContact CB-OE2 3.34Å; S81-E84 PolarHBondContact N-OE2 3.29Å; S81-E84 PolarHBondContact O-N 2.71Å; S81-E84 VanDerWaalsContact OG-CG 3.31Å; S81-E84 WeakPolarHBondContact OG-CG 3.38Å; S81-E84 PolarHBondContact OG-N 2.79Å; S81-E84 PolarHBondContact OG-OE2 3.32Å; A82-E84 PolarHBondContact O-N 3.09Å; E84-N87 PolarHBondContact O-N 2.84Å; E84-V88 WeakPolarHBondContact O-CG2 3.44Å; E84-V88 PolarHBondContact O-N 3.07Å
85	L	67.8	Low	66	Low	5 Å²	5	68.1 Å²	68.1	3%	0.026	40%	0.4	C	S	.	.	H	α-helix	trans	-67.2	-36	174.2	-75.9	161.2	0	0	0	112.2	M71 N75 L80 S81 A82 V88 F89	M71-L85 HydrophobicContact SD-CD2 4.23Å; N75-L85 HydrophobicContact CB-CD1 4.14Å; L80-L85 HydrophobicContact CB-CG 4.24Å; L80-L85 HydrophobicContact CD1-CD2 4.45Å; S81-L85 PolarHBondContact O-N 3.41Å; A82-L85 PolarHBondContact O-N 2.96Å; L85-V88 PolarHBondContact O-N 2.82Å; L85-F89 PolarHBondContact O-N 2.74Å
86	E	71.2	Confident	66.7	Low	50 Å²	50	66.5 Å²	66.5	23%	0.234	41%	0.406	C	S	.	.	H	α-helix	trans	-67.4	-41.8	171	-71.5	-165.9	-153.3	0	0	112.2	R68 Q72 A82 D83 V88 F89 D90	R68-E86 WeakPolarHBondContact CD-OE2 3.45Å; R68-E86 HydrophobicContact CG-CG 3.94Å; R68-E86 IonicContact CZ-OE2 2.63Å; R68-E86 IonicContact NE-OE2 3.32Å; R68-E86 IonicContact NH1-OE2 3.38Å; R68-E86 PolarHBondContact NH1-OE2 3.25Å; Q72-E86 PolarHBondContact NE2-OE1 3.19Å; A82-E86 PolarHBondContact O-N 3.13Å; D83-E86 PolarHBondContact O-N 2.93Å; E86-V88 VanDerWaalsContact C-N 3.27Å; E86-V88 PolarHBondContact O-N 3.24Å; E86-F89 WeakPolarHBondContact O-CB 3.33Å; E86-F89 PolarHBondContact O-N 3.26Å; E86-D90 WeakPolarHBondContact O-CB 3.26Å; E86-D90 PolarHBondContact O-N 3.3Å
87	N	67.8	Low	67.5	Low	117 Å²	117	66.2 Å²	66.2	63%	0.626	39%	0.387	S	S	*	.	H	α-helix	trans	-64.2	-31.2	174.2	-79.2	-87.2	0	0	0	112.5	D83 E84 S91	D83-N87 PolarHBondContact O-N 2.99Å; D83-N87 PolarHBondContact O-ND2 3.33Å; E84-N87 PolarHBondContact O-N 2.84Å; N87-S91 WeakPolarHBondContact O-CB 3.29Å; N87-S91 PolarHBondContact O-N 3.06Å; N87-S91 PolarHBondContact O-OG 3.01Å
88	V	70.2	Confident	68.2	Low	30 Å²	30	60.8 Å²	60.8	18%	0.182	37%	0.37	C	S	.	.	H	α-helix	trans	-70	-45.9	171	169.2	0	0	0	0	110.6	E84 L85 E86 D90 S91 L92 F112	E84-V88 WeakPolarHBondContact O-CG2 3.44Å; E84-V88 PolarHBondContact O-N 3.07Å; L85-V88 PolarHBondContact O-N 2.82Å; E86-V88 VanDerWaalsContact C-N 3.27Å; E86-V88 PolarHBondContact O-N 3.24Å; V88-D90 PolarHBondContact O-N 2.82Å; V88-S91 PolarHBondContact O-N 3.28Å; V88-S91 VanDerWaalsContact O-N 3.11Å; V88-S91 PolarHBondContact O-OG 2.91Å; V88-L92 HydrophobicContact CG1-CD1 3.98Å; V88-L92 WeakPolarHBondContact O-CG 3.2Å; V88-L92 PolarHBondContact O-N 3.29Å; V88-F112 HydrophobicContact CG2-CZ 4.42Å
89	F	74.5	Confident	69.3	Low	0 Å²	0	62.5 Å²	62.5	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-55	-51.1	176	-170.2	-82.6	0	0	0	111.3	I66 T67 R68 M71 L85 E86 S91 L92 D93 G98 L100	I66-F89 HydrophobicContact CG2-CE2 4.46Å; I66-F89 WeakPolarHBondContact O-CE2 3.49Å; T67-F89 VanDerWaalsContact C-CE2 3.41Å; R68-F89 HydrophobicContact CB-CD1 4.22Å; R68-F89 HydrophobicContact CB-CD2 4.38Å; R68-F89 HydrophobicContact CB-CE1 4.18Å; R68-F89 HydrophobicContact CB-CE2 4.34Å; R68-F89 HydrophobicContact CB-CG 4.33Å; R68-F89 HydrophobicContact CB-CZ 4.25Å; R68-F89 HydrophobicContact CG-CD1 4.47Å; R68-F89 HydrophobicContact CG-CG 4.45Å; R68-F89 VanDerWaalsContact N-CE2 3.28Å; M71-F89 HydrophobicContact CB-CD2 4.26Å; M71-F89 HydrophobicContact CG-CD2 3.97Å; L85-F89 PolarHBondContact O-N 2.74Å; E86-F89 WeakPolarHBondContact O-CB 3.33Å; E86-F89 PolarHBondContact O-N 3.26Å; F89-S91 PolarHBondContact O-N 3.13Å; F89-S91 VanDerWaalsContact O-N 3.17Å; F89-L92 PolarHBondContact O-N 2.86Å; F89-D93 HydrophobicContact CD1-CB 4.19Å; F89-D93 HydrophobicContact CE1-CB 4.05Å; F89-D93 WeakPolarHBondContact CE1-OD2 3.33Å; F89-D93 WeakPolarHBondContact O-CB 3.31Å; F89-D93 PolarHBondContact O-N 3.24Å; F89-G98 WeakPolarHBondContact CZ-O 3.24Å; F89-L100 HydrophobicContact CD2-CD1 3.53Å; F89-L100 HydrophobicContact CD2-CG 4.04Å; F89-L100 HydrophobicContact CE1-CG 4.42Å; F89-L100 HydrophobicContact CE2-CB 4.45Å; F89-L100 HydrophobicContact CE2-CD1 3.58Å; F89-L100 HydrophobicContact CE2-CG 3.61Å; F89-L100 HydrophobicContact CG-CD1 4.17Å; F89-L100 HydrophobicContact CZ-CD1 4.25Å; F89-L100 HydrophobicContact CZ-CG 3.82Å
90	D	73.8	Confident	70.5	Confident	81 Å²	81	56.6 Å²	56.6	43%	0.433	34%	0.336	S	S	.	.	H	α-helix	trans	-70.6	-9.6	-179	-67.4	5.1	0	0	0	113.3	R68 E86 V88	R68-D90 IonicContact CZ-OD1 3.82Å; R68-D90 VanDerWaalsContact CZ-OD1 3.3Å; R68-D90 IonicContact CZ-OD2 2.68Å; R68-D90 IonicContact NE-OD1 3.52Å; R68-D90 IonicContact NH1-OD2 3.65Å; R68-D90 IonicContact NH2-OD1 2.66Å; R68-D90 PolarHBondContact NH2-OD1 2.9Å; R68-D90 IonicContact NH2-OD2 3.41Å; R68-D90 PolarHBondContact NH2-OD2 3.36Å; E86-D90 WeakPolarHBondContact O-CB 3.26Å; E86-D90 PolarHBondContact O-N 3.3Å; V88-D90 PolarHBondContact O-N 2.82Å
91	S	71.6	Confident	71.3	Confident	63 Å²	63	56 Å²	56	44%	0.441	34%	0.335	S	S	.	.	H	α-helix	trans	-92.1	-13.2	170.2	76.7	0	0	0	0	114	N87 V88 F89	N87-S91 WeakPolarHBondContact O-CB 3.29Å; N87-S91 PolarHBondContact O-N 3.06Å; N87-S91 PolarHBondContact O-OG 3.01Å; V88-S91 PolarHBondContact O-N 3.28Å; V88-S91 VanDerWaalsContact O-N 3.11Å; V88-S91 PolarHBondContact O-OG 2.91Å; F89-S91 PolarHBondContact O-N 3.13Å; F89-S91 VanDerWaalsContact O-N 3.17Å
92	L	73	Confident	71.5	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-101.4	-34.8	176.5	-62	171.4	0	0	0	110.8	V88 F89 S94 L100 F105	V88-L92 HydrophobicContact CG1-CD1 3.98Å; V88-L92 WeakPolarHBondContact O-CG 3.2Å; V88-L92 PolarHBondContact O-N 3.29Å; F89-L92 PolarHBondContact O-N 2.86Å; L92-S94 PolarHBondContact O-N 3.39Å; L92-S94 PolarHBondContact O-OG 3.36Å; L92-L100 VanDerWaalsContact C-CD2 3.47Å; L92-L100 HydrophobicContact CB-CD1 3.93Å; L92-L100 HydrophobicContact CB-CD2 3.62Å; L92-L100 HydrophobicContact CB-CG 4.46Å; L92-L100 HydrophobicContact CD1-CD1 4.07Å; L92-F105 HydrophobicContact CD1-CD2 3.84Å; L92-F105 HydrophobicContact CD1-CE2 3.85Å
93	D	77.6	Confident	71.7	Confident	18 Å²	18	62.5 Å²	62.5	10%	0.096	36%	0.357	C	S	.	.			trans	-71.7	73.1	179.5	-171.1	-5.3	0	0	0	110.3	F89 D95 G96 N97 G98 L100	F89-D93 HydrophobicContact CD1-CB 4.19Å; F89-D93 HydrophobicContact CE1-CB 4.05Å; F89-D93 WeakPolarHBondContact CE1-OD2 3.33Å; F89-D93 WeakPolarHBondContact O-CB 3.31Å; F89-D93 PolarHBondContact O-N 3.24Å; D93-D95 VanDerWaalsContact C-N 3.33Å; D93-D95 PolarHBondContact O-N 2.98Å; D93-G96 PolarHBondContact O-N 2.92Å; D93-G96 WeakPolarHBondContact OD1-CA 3.35Å; D93-G96 PolarHBondContact OD1-N 2.91Å; D93-N97 PolarHBondContact OD1-N 2.91Å; D93-G98 VanDerWaalsContact OD2-CA 3.26Å; D93-G98 WeakPolarHBondContact OD2-CA 3.25Å; D93-G98 PolarHBondContact OD2-N 3.16Å; D93-L100 HydrophobicContact CB-CD2 3.87Å; D93-L100 VanDerWaalsContact N-CD2 3.33Å
94	S	65.3	Low	72.1	Confident	106 Å²	106	59.4 Å²	59.4	74%	0.741	34%	0.338	S	S	*	.	S	Bend	trans	-76.9	-18.1	-165.4	-61.8	0	0	0	0	113.8	L92	L92-S94 PolarHBondContact O-N 3.39Å; L92-S94 PolarHBondContact O-OG 3.36Å
95	D	70.1	Confident	72.5	Confident	102 Å²	102	54.8 Å²	54.8	55%	0.545	32%	0.317	S	S	.	.	S	Bend	trans	-101.8	-10.5	171	73.4	-29.9	0	0	0	112.9	D93 N97	D93-D95 VanDerWaalsContact C-N 3.33Å; D93-D95 PolarHBondContact O-N 2.98Å; D95-N97 PolarHBondContact OD1-ND2 3.45Å; D95-N97 WeakPolarHBondContact OD2-CB 3.28Å; D95-N97 PolarHBondContact OD2-ND2 3.42Å
96	G	69.6	Low	72.5	Confident	59 Å²	59	56.1 Å²	56.1	61%	0.608	33%	0.326	S	S	*	.			trans	77.3	30.2	173.5	0	0	0	0	0	113.4	D93	D93-G96 PolarHBondContact O-N 2.92Å; D93-G96 WeakPolarHBondContact OD1-CA 3.35Å; D93-G96 PolarHBondContact OD1-N 2.91Å
97	N	74.8	Confident	72.4	Confident	66 Å²	66	57.4 Å²	57.4	35%	0.353	34%	0.341	S	S	.	.			trans	-86.6	-17.7	-171.5	79.7	45	0	0	0	113.9	D93 D95 F99	D93-N97 PolarHBondContact OD1-N 2.91Å; D95-N97 PolarHBondContact OD1-ND2 3.45Å; D95-N97 WeakPolarHBondContact OD2-CB 3.28Å; D95-N97 PolarHBondContact OD2-ND2 3.42Å; N97-F99 VanDerWaalsContact O-CD2 3.3Å; N97-F99 WeakPolarHBondContact O-CD2 3.44Å; N97-F99 VanDerWaalsContact OD1-CA 3.31Å; N97-F99 WeakPolarHBondContact OD1-CA 3.44Å; N97-F99 VanDerWaalsContact OD1-CB 3.27Å; N97-F99 WeakPolarHBondContact OD1-CB 3.35Å; N97-F99 WeakPolarHBondContact OD1-CD2 3.43Å; N97-F99 PolarHBondContact OD1-N 3.44Å; N97-F99 PolarHBondContact OD1-O 3.2Å
98	G	70.9	Confident	72.4	Confident	30 Å²	30	52.6 Å²	52.6	31%	0.309	32%	0.319	S	S	.	.	S	Bend	trans	92.3	4.4	-179.4	0	0	0	0	0	116	F89 D93	F89-G98 WeakPolarHBondContact CZ-O 3.24Å; D93-G98 VanDerWaalsContact OD2-CA 3.26Å; D93-G98 WeakPolarHBondContact OD2-CA 3.25Å; D93-G98 PolarHBondContact OD2-N 3.16Å
99	F	79.8	Confident	72.2	Confident	101 Å²	101	53.6 Å²	53.6	44%	0.443	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	110.3	-174	-51.9	-90.1	0	0	0	110.9	F65 T67 N97 T101	F65-F99 HydrophobicContact CB-CB 4.46Å; F65-F99 HydrophobicContact CD2-CB 4.26Å; F65-F99 AromaticContact CD2-CD1 3.59Å; F65-F99 HydrophobicContact CD2-CD1 3.59Å; F65-F99 HydrophobicContact CD2-CE1 4.44Å; F65-F99 HydrophobicContact CD2-CG 4.36Å; F65-F99 AromaticContact CE2-CD1 3.61Å; F65-F99 HydrophobicContact CE2-CD1 3.61Å; F65-F99 HydrophobicContact CE2-CE1 4.01Å; T67-F99 HydrophobicContact CG2-CD1 3.85Å; T67-F99 HydrophobicContact CG2-CE1 3.99Å; N97-F99 VanDerWaalsContact O-CD2 3.3Å; N97-F99 WeakPolarHBondContact O-CD2 3.44Å; N97-F99 VanDerWaalsContact OD1-CA 3.31Å; N97-F99 WeakPolarHBondContact OD1-CA 3.44Å; N97-F99 VanDerWaalsContact OD1-CB 3.27Å; N97-F99 WeakPolarHBondContact OD1-CB 3.35Å; N97-F99 WeakPolarHBondContact OD1-CD2 3.43Å; N97-F99 PolarHBondContact OD1-N 3.44Å; N97-F99 PolarHBondContact OD1-O 3.2Å; F99-T101 PolarHBondContact O-N 3.18Å
100	L	77.4	Confident	71.6	Confident	0 Å²	0	55 Å²	55	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	116.8	176.2	-62.5	173.5	0	0	0	110.6	F65 I66 F89 L92 D93 F105	F65-L100 CarbonylContact C-O 3.57Å; F65-L100 VanDerWaalsContact CA-O 3.28Å; F65-L100 WeakPolarHBondContact CA-O 3.49Å; I66-L100 HydrophobicContact CB-CB 4.34Å; I66-L100 PolarHBondContact N-O 2.68Å; I66-L100 PolarHBondContact O-N 2.7Å; F89-L100 HydrophobicContact CD2-CD1 3.53Å; F89-L100 HydrophobicContact CD2-CG 4.04Å; F89-L100 HydrophobicContact CE1-CG 4.42Å; F89-L100 HydrophobicContact CE2-CB 4.45Å; F89-L100 HydrophobicContact CE2-CD1 3.58Å; F89-L100 HydrophobicContact CE2-CG 3.61Å; F89-L100 HydrophobicContact CG-CD1 4.17Å; F89-L100 HydrophobicContact CZ-CD1 4.25Å; F89-L100 HydrophobicContact CZ-CG 3.82Å; L92-L100 VanDerWaalsContact C-CD2 3.47Å; L92-L100 HydrophobicContact CB-CD1 3.93Å; L92-L100 HydrophobicContact CB-CD2 3.62Å; L92-L100 HydrophobicContact CB-CG 4.46Å; L92-L100 HydrophobicContact CD1-CD1 4.07Å; D93-L100 HydrophobicContact CB-CD2 3.87Å; D93-L100 VanDerWaalsContact N-CD2 3.33Å; L100-F105 HydrophobicContact CD1-CD2 4.21Å
101	T	78	Confident	71	Confident	53 Å²	53	54.1 Å²	54.1	33%	0.325	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	166.8	166.9	67.7	0	0	0	0	111.4	F99 E103 E104 F105	F99-T101 PolarHBondContact O-N 3.18Å; T101-E103 VanDerWaalsContact C-N 3.27Å; T101-E103 PolarHBondContact O-N 3.02Å; T101-E104 VanDerWaalsContact CB-OE2 3.25Å; T101-E104 WeakPolarHBondContact CB-OE2 3.34Å; T101-E104 VanDerWaalsContact CG2-OE2 3.28Å; T101-E104 WeakPolarHBondContact CG2-OE2 3.34Å; T101-E104 PolarHBondContact N-OE2 3.31Å; T101-E104 PolarHBondContact O-N 3.41Å; T101-E104 PolarHBondContact OG1-N 3.45Å; T101-E104 PolarHBondContact OG1-OE2 3.36Å; T101-F105 VanDerWaalsContact O-CB 3.28Å; T101-F105 WeakPolarHBondContact O-CB 3.38Å; T101-F105 PolarHBondContact O-N 3.46Å
102	L	72.7	Confident	70.4	Confident	58 Å²	58	54.7 Å²	54.7	30%	0.304	33%	0.33	S	S	.	.	H	α-helix	trans	-61.1	-34	176.3	-179.4	63.1	0	0	0	112.8	F55 S106	F55-L102 HydrophobicContact CB-CD1 3.95Å; F55-L102 HydrophobicContact CD1-CD1 3.79Å; F55-L102 HydrophobicContact CD2-CD1 3.9Å; F55-L102 HydrophobicContact CE1-CB 4.24Å; F55-L102 HydrophobicContact CE1-CD1 4.25Å; F55-L102 HydrophobicContact CE2-CB 4.14Å; F55-L102 HydrophobicContact CE2-CD1 4.34Å; F55-L102 HydrophobicContact CG-CD1 3.6Å; F55-L102 HydrophobicContact CZ-CB 3.97Å; F55-L102 HydrophobicContact CZ-CD1 4.5Å; L102-S106 VanDerWaalsContact O-CB 3.28Å; L102-S106 WeakPolarHBondContact O-CB 3.24Å; L102-S106 PolarHBondContact O-N 3.28Å; L102-S106 PolarHBondContact O-OG 2.88Å
103	E	68.2	Low	69.5	Low	159 Å²	159	58.5 Å²	58.5	74%	0.743	35%	0.35	S	S	*	.	H	α-helix	trans	-73.4	-44.9	178.9	-64.9	-170.1	175.9	0	0	111.7	T101 S106 S107	T101-E103 VanDerWaalsContact C-N 3.27Å; T101-E103 PolarHBondContact O-N 3.02Å; E103-S106 PolarHBondContact O-OG 3.33Å; E103-S107 WeakPolarHBondContact O-CB 3.38Å; E103-S107 PolarHBondContact O-N 2.92Å
104	E	73.3	Confident	68.2	Low	52 Å²	52	63.2 Å²	63.2	24%	0.243	37%	0.369	C	S	.	.	H	α-helix	trans	-64.6	-43.9	175.2	-71.4	146.3	168.5	0	0	111.6	T101 G108	T101-E104 VanDerWaalsContact CB-OE2 3.25Å; T101-E104 WeakPolarHBondContact CB-OE2 3.34Å; T101-E104 VanDerWaalsContact CG2-OE2 3.28Å; T101-E104 WeakPolarHBondContact CG2-OE2 3.34Å; T101-E104 PolarHBondContact N-OE2 3.31Å; T101-E104 PolarHBondContact O-N 3.41Å; T101-E104 PolarHBondContact OG1-N 3.45Å; T101-E104 PolarHBondContact OG1-OE2 3.36Å; E104-G108 PolarHBondContact O-N 3.03Å
105	F	74.2	Confident	67.1	Low	0 Å²	0	61.3 Å²	61.3	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-62.3	-50.2	177.2	-174.5	-101	0	0	0	111.4	T51 F54 F55 I66 M71 L92 L100 T101 F109	T51-F105 HydrophobicContact CG2-CD1 3.8Å; T51-F105 HydrophobicContact CG2-CE1 3.58Å; F54-F105 HydrophobicContact CD1-CE1 4.1Å; F54-F105 AromaticContact CD1-CZ 3.63Å; F54-F105 HydrophobicContact CD1-CZ 3.63Å; F54-F105 HydrophobicContact CE1-CZ 4.06Å; F55-F105 HydrophobicContact CB-CD1 4.01Å; F55-F105 HydrophobicContact CB-CE1 4.25Å; F55-F105 HydrophobicContact CD2-CB 3.75Å; F55-F105 AromaticContact CD2-CD1 3.7Å; F55-F105 HydrophobicContact CD2-CD1 3.7Å; F55-F105 AromaticContact CD2-CG 3.78Å; F55-F105 HydrophobicContact CD2-CG 3.78Å; F55-F105 HydrophobicContact CE2-CB 4.01Å; F55-F105 HydrophobicContact CE2-CG 4.45Å; F55-F105 HydrophobicContact CG-CD1 4.36Å; I66-F105 HydrophobicContact CD1-CD2 4.36Å; I66-F105 HydrophobicContact CD1-CG 4.5Å; M71-F105 HydrophobicContact CE-CD2 4.45Å; M71-F105 HydrophobicContact CE-CE2 3.6Å; M71-F105 HydrophobicContact CE-CZ 4.27Å; L92-F105 HydrophobicContact CD1-CD2 3.84Å; L92-F105 HydrophobicContact CD1-CE2 3.85Å; L100-F105 HydrophobicContact CD1-CD2 4.21Å; T101-F105 VanDerWaalsContact O-CB 3.28Å; T101-F105 WeakPolarHBondContact O-CB 3.38Å; T101-F105 PolarHBondContact O-N 3.46Å; F105-F109 HydrophobicContact CE1-CB 4.48Å; F105-F109 HydrophobicContact CE1-CG 4.44Å; F105-F109 HydrophobicContact CE2-CD2 4.28Å; F105-F109 HydrophobicContact CZ-CB 4.4Å; F105-F109 AromaticContact CZ-CD2 3.93Å; F105-F109 HydrophobicContact CZ-CD2 3.93Å; F105-F109 HydrophobicContact CZ-CE2 4.35Å; F105-F109 HydrophobicContact CZ-CG 4.16Å; F105-F109 WeakPolarHBondContact O-CB 3.3Å; F105-F109 PolarHBondContact O-N 3.45Å
106	S	68.8	Low	65.6	Low	32 Å²	32	65.2 Å²	65.2	22%	0.224	37%	0.374	C	S	.	.	H	α-helix	trans	-67.2	-40.7	-179.1	57.1	0	0	0	0	112.9	L102 E103 S110	L102-S106 VanDerWaalsContact O-CB 3.28Å; L102-S106 WeakPolarHBondContact O-CB 3.24Å; L102-S106 PolarHBondContact O-N 3.28Å; L102-S106 PolarHBondContact O-OG 2.88Å; E103-S106 PolarHBondContact O-OG 3.33Å; S106-S110 VanDerWaalsContact O-CB 3.29Å; S106-S110 WeakPolarHBondContact O-CB 3.13Å; S106-S110 PolarHBondContact O-N 3.28Å; S106-S110 VanDerWaalsContact O-N 3.1Å; S106-S110 PolarHBondContact O-OG 3.47Å
107	S	69.9	Low	63.7	Low	78 Å²	78	73.7 Å²	73.7	55%	0.545	39%	0.387	S	S	.	.	H	α-helix	trans	-61.5	-57.9	174.7	-176.6	0	0	0	0	111.3	E103 F109 S110 A111	E103-S107 WeakPolarHBondContact O-CB 3.38Å; E103-S107 PolarHBondContact O-N 2.92Å; S107-F109 PolarHBondContact O-N 3.5Å; S107-S110 PolarHBondContact O-N 3.09Å; S107-S110 PolarHBondContact O-OG 2.89Å; S107-A111 PolarHBondContact O-N 2.88Å
108	G	67.4	Low	61.5	Low	16 Å²	16	77.8 Å²	77.8	17%	0.165	41%	0.407	C	S	.	.	H	α-helix	trans	-65.2	-40.2	-177.1	0	0	0	0	0	113.4	E104 A111 F112	E104-G108 PolarHBondContact O-N 3.03Å; G108-A111 PolarHBondContact O-N 2.95Å; G108-F112 WeakPolarHBondContact O-CB 3.36Å; G108-F112 PolarHBondContact O-N 3.49Å
109	F	65.9	Low	59.3	Low	50 Å²	50	81.7 Å²	81.7	22%	0.219	43%	0.43	C	S	.	.	H	α-helix	trans	-68.5	-36	178.6	-167.3	-101.5	0	0	0	111.5	T51 F105 S107 F112 L113	T51-F109 HydrophobicContact CG2-CB 4.06Å; T51-F109 HydrophobicContact CG2-CD1 3.61Å; T51-F109 HydrophobicContact CG2-CE1 4.36Å; T51-F109 HydrophobicContact CG2-CG 4.12Å; T51-F109 WeakPolarHBondContact OG1-CD1 3.44Å; F105-F109 HydrophobicContact CE1-CB 4.48Å; F105-F109 HydrophobicContact CE1-CG 4.44Å; F105-F109 HydrophobicContact CE2-CD2 4.28Å; F105-F109 HydrophobicContact CZ-CB 4.4Å; F105-F109 AromaticContact CZ-CD2 3.93Å; F105-F109 HydrophobicContact CZ-CD2 3.93Å; F105-F109 HydrophobicContact CZ-CE2 4.35Å; F105-F109 HydrophobicContact CZ-CG 4.16Å; F105-F109 WeakPolarHBondContact O-CB 3.3Å; F105-F109 PolarHBondContact O-N 3.45Å; S107-F109 PolarHBondContact O-N 3.5Å; F109-F112 PolarHBondContact O-N 2.88Å; F109-L113 HydrophobicContact CD1-CD1 3.84Å; F109-L113 HydrophobicContact CD1-CG 4.45Å; F109-L113 HydrophobicContact CE1-CD1 3.64Å; F109-L113 HydrophobicContact CE1-CG 4.36Å; F109-L113 HydrophobicContact CZ-CD1 4.41Å; F109-L113 WeakPolarHBondContact O-CG 3.36Å; F109-L113 PolarHBondContact O-N 2.97Å
110	S	60.5	Low	56.8	Low	30 Å²	30	82.6 Å²	82.6	21%	0.21	44%	0.444	C	S	.	.	H	α-helix	trans	-64.2	-44.4	170.8	81.4	0	0	0	0	111.5	S106 S107 F112 L113 F114	S106-S110 VanDerWaalsContact O-CB 3.29Å; S106-S110 WeakPolarHBondContact O-CB 3.13Å; S106-S110 PolarHBondContact O-N 3.28Å; S106-S110 VanDerWaalsContact O-N 3.1Å; S106-S110 PolarHBondContact O-OG 3.47Å; S107-S110 PolarHBondContact O-N 3.09Å; S107-S110 PolarHBondContact O-OG 2.89Å; S110-F112 PolarHBondContact O-N 3.13Å; S110-L113 PolarHBondContact O-N 3.1Å; S110-F114 WeakPolarHBondContact O-CD2 3.45Å; S110-F114 PolarHBondContact O-N 3.2Å
111	A	61.3	Low	54.4	Low	62 Å²	62	89.1 Å²	89.1	51%	0.512	48%	0.478	S	S	.	.	H	α-helix	trans	-62.5	-40.1	177.3	0	0	0	0	0	112.2	S107 G108 F114 G115	S107-A111 PolarHBondContact O-N 2.88Å; G108-A111 PolarHBondContact O-N 2.95Å; A111-F114 PolarHBondContact O-N 2.89Å; A111-G115 PolarHBondContact O-N 3.3Å
112	F	60.4	Low	52	Low	75 Å²	75	93.2 Å²	93.2	33%	0.329	50%	0.498	S	S	.	.	H	α-helix	trans	-62.6	-44.3	175.2	-175	-97.3	0	0	0	112.1	V88 G108 F109 S110 R116	V88-F112 HydrophobicContact CG2-CZ 4.42Å; G108-F112 WeakPolarHBondContact O-CB 3.36Å; G108-F112 PolarHBondContact O-N 3.49Å; F109-F112 PolarHBondContact O-N 2.88Å; S110-F112 PolarHBondContact O-N 3.13Å; F112-R116 WeakPolarHBondContact O-CB 3.4Å; F112-R116 PolarHBondContact O-N 3.33Å
113	L	53.3	Low	49.8	Very low	81 Å²	81	95.7 Å²	95.7	42%	0.424	52%	0.516	S	S	.	.	H	α-helix	trans	-68.7	-40.1	177.4	-72.6	175.4	0	0	0	112.9	I47 F109 S110	I47-L113 HydrophobicContact CG2-CD1 3.9Å; F109-L113 HydrophobicContact CD1-CD1 3.84Å; F109-L113 HydrophobicContact CD1-CG 4.45Å; F109-L113 HydrophobicContact CE1-CD1 3.64Å; F109-L113 HydrophobicContact CE1-CG 4.36Å; F109-L113 HydrophobicContact CZ-CD1 4.41Å; F109-L113 WeakPolarHBondContact O-CG 3.36Å; F109-L113 PolarHBondContact O-N 2.97Å; S110-L113 PolarHBondContact O-N 3.1Å
114	F	49.7	Very low	47.8	Very low	117 Å²	117	95.4 Å²	95.4	51%	0.513	52%	0.516	S	S	.	.	H	α-helix	trans	-73.7	-32.1	176.5	-71.3	-58.9	0	0	0	112.9	Q44 I47 S110 A111	Q44-F114 HydrophobicContact CG-CZ 4.33Å; I47-F114 HydrophobicContact CD1-CZ 4.42Å; S110-F114 WeakPolarHBondContact O-CD2 3.45Å; S110-F114 PolarHBondContact O-N 3.2Å; A111-F114 PolarHBondContact O-N 2.89Å
115	G	42.8	Very low	45.5	Very low	66 Å²	66	98.7 Å²	98.7	68%	0.68	54%	0.54	S	S	*	.	H	α-helix	trans	-71.6	-25.6	178.1	0	0	0	0	0	114.4	A111 R117	A111-G115 PolarHBondContact O-N 3.3Å; G115-R117 PolarHBondContact O-N 2.86Å
116	R	39.5	Very low	43.3	Very low	184 Å²	184	105.3 Å²	105.3	69%	0.694	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	36	-169.7	-151.7	170.1	-177.3	175.5	0.1	115.6	F112 I118	F112-R116 WeakPolarHBondContact O-CB 3.4Å; F112-R116 PolarHBondContact O-N 3.33Å; R116-I118 PolarHBondContact O-N 3.21Å; R116-I118 VanDerWaalsContact O-N 3.1Å
117	R	29.7	Very low	41.3	Very low	238 Å²	238	110.4 Å²	110.4	90%	0.898	59%	0.589	S	S	*	*	S	Bend	trans	-78.9	86.1	161.3	-76.9	-163.2	-173	-177.3	6	110.8	G115	G115-R117 PolarHBondContact O-N 2.86Å
118	I	28.2	Very low	39.1	Very low	151 Å²	151	112.8 Å²	112.8	77%	0.774	60%	0.596	S	S	*	*			trans	25.5	94.7	158.6	-48.7	176.1	0	0	0	114.9	R116 V120	R116-I118 PolarHBondContact O-N 3.21Å; R116-I118 VanDerWaalsContact O-N 3.1Å; I118-V120 HydrophobicContact CG2-CG2 4.22Å
119	S	23.7	Very low	37.2	Very low	113 Å²	113	119.6 Å²	119.6	79%	0.79	63%	0.628	S	S	*	*			trans	-94.2	128.5	147.7	-169.2	0	0	0	0	108.3
120	V	27.1	Very low	35.2	Very low	119 Å²	119	121.9 Å²	121.9	72%	0.721	65%	0.65	S	S	*	*			trans	-118.1	143.5	151.7	178.2	0	0	0	0	104.8	I118	I118-V120 HydrophobicContact CG2-CG2 4.22Å
121	D	28.5	Very low	33.8	Very low	137 Å²	137	129.8 Å²	129.8	73%	0.733	68%	0.681	S	S	*	*			trans	-55.2	161.8	-166.3	-52.3	-75.9	0	0	0	113.8
122	D	26.2	Very low	31.9	Very low	139 Å²	139	132.1 Å²	132.1	74%	0.743	69%	0.693	S	S	*	*			cis	-165.4	174.7	40.2	-168.5	12.7	0	0	0	113.8
123	V	26.8	Very low	30.7	Very low	110 Å²	110	135 Å²	135	67%	0.667	72%	0.716	S	S	*	*			trans	81	79.3	161.5	-160.3	0	0	0	0	118.6
124	M	27.2	Very low	29.8	Very low	153 Å²	153	136.1 Å²	136.1	75%	0.754	73%	0.729	S	S	*	*				50.5	124.4	117.1	-64.2	-71.8	178.5	0	0	121.7
125	T	25.4	Very low	28.9	Very low	122 Å²	122	139.1 Å²	139.1	75%	0.748	74%	0.744	S	S	*	*			trans	68.3	144.7	141.1	60.9	0	0	0	0	119.5
126	E	26.8	Very low	28.1	Very low	138 Å²	138	142 Å²	142	65%	0.645	75%	0.748	S	S	*	*			cis	-154.9	155.5	-1.4	-126.6	-165.7	-178.9	0	0	112.5
127	K	27.7	Very low	27.5	Very low	139 Å²	139	139.8 Å²	139.8	60%	0.604	75%	0.749	S	S	*	*			trans	51.9	115.8	146.8	-73.3	176.5	-166.2	138	0	122.1
128	N	23.9	Very low	27.5	Very low	129 Å²	129	138.1 Å²	138.1	69%	0.69	75%	0.745	S	S	*	*				75.6	133.2	115.9	-64.9	-5.9	0	0	0	122.5
129	L	25.8	Very low	27.4	Very low	159 Å²	159	137.6 Å²	137.6	83%	0.832	74%	0.739	S	S	*	*			trans	66.8	152.9	144.8	-63.3	163.5	0	0	0	116.8
130	S	24.6	Very low	27.8	Very low	98 Å²	98	137 Å²	137	69%	0.685	74%	0.735	S	S	*	*			cis	-165	175.2	-20.8	51	0	0	0	0	110.1
131	K	30.3	Very low	27.7	Very low	196 Å²	196	140.4 Å²	140.4	85%	0.852	74%	0.743	S	S	*	*			trans	-32.6	133.8	164.7	-57.1	171	179.6	177.2	0	113.7
132	S	22.7	Very low	27.9	Very low	110 Å²	110	144.6 Å²	144.6	77%	0.769	75%	0.748	S	S	*	*				173.2	155.8	108.8	47.9	0	0	0	0	113.2
133	V	33.9	Very low	28	Very low	135 Å²	135	147.7 Å²	147.7	82%	0.818	76%	0.755	S	S	*	*			trans	-95.3	130.6	156.8	169.4	0	0	0	0	105.5
134	P	35.8	Very low	28.3	Very low	106 Å²	106	151.6 Å²	151.6	69%	0.688	77%	0.766	S	S	*	*				-144.4	138.9	106.6	36.1	-20.2	0	0	0	116.1
135	E	29.7	Very low	28.4	Very low	180 Å²	180	147.1 Å²	147.1	84%	0.841	76%	0.759	S	S	*	*				5.8	121.1	124.4	-177.1	175.8	-147.4	0	0	118.6
136	V	26.1	Very low	29.2	Very low	126 Å²	126	148.5 Å²	148.5	76%	0.764	77%	0.77	S	S	*	*			trans	176.5	106.4	144.2	139.6	0	0	0	0	106.6
137	L	27.3	Very low	29.9	Very low	137 Å²	137	143.5 Å²	143.5	72%	0.717	76%	0.755	S	S	*	*				66.9	98.7	86.2	-162.1	-178	0	0	0	112.8
138	Y	28.9	Very low	30.7	Very low	204 Å²	204	140.9 Å²	140.9	80%	0.8	76%	0.76	S	S	*	*			trans	-164.2	98.8	145.6	-123.3	-99.6	0	0	0	106.7
139	Q	26.5	Very low	32	Very low	140 Å²	140	137.9 Å²	137.9	65%	0.654	75%	0.753	S	S	*	*				79.2	113.1	86.2	-169.5	169	14.4	0	0	113.2
140	S	31.6	Very low	33.2	Very low	101 Å²	101	136.9 Å²	136.9	71%	0.706	74%	0.744	S	S	*	*			trans	-52.2	129.1	177.8	33.8	0	0	0	0	114.1
141	Q	26.7	Very low	34.8	Very low	189 Å²	189	136.6 Å²	136.6	88%	0.883	74%	0.735	S	S	*	*			trans	-118.2	104.7	162.6	-167	167.6	40.8	0	0	109.5
142	W	31.3	Very low	36.5	Very low	225 Å²	225	131 Å²	131	85%	0.852	71%	0.714	S	S	*	*			trans	-62.4	137.4	176.7	-69.5	74.8	0	0	0	110.3
143	K	28.4	Very low	38.7	Very low	205 Å²	205	127.6 Å²	127.6	89%	0.891	69%	0.686	S	S	*	*			trans	-130.1	86.7	172	-158.8	175	-171.2	179.4	0	109.1	G145	K143-G145 PolarHBondContact O-N 3.34Å
144	E	33.3	Very low	40.6	Very low	192 Å²	192	125.4 Å²	125.4	90%	0.897	67%	0.667	S	S	*	*			trans	-60	123.8	178.7	-66.4	179.9	120.3	0	0	110.6
145	G	30	Very low	42.4	Very low	58 Å²	58	124.4 Å²	124.4	60%	0.598	65%	0.652	S	S	*	*			trans	-154.3	145.3	173.4	0	0	0	0	0	107.4	K143 G147	K143-G145 PolarHBondContact O-N 3.34Å; G145-G147 PolarHBondContact O-N 3.06Å
146	P	41.6	Very low	44.6	Very low	151 Å²	151	120 Å²	120	98%	0.981	63%	0.631	S	S	*	*	S	Bend	trans	-75.3	87.8	-161.7	29	-35.8	0	0	0	113
147	G	41.3	Very low	47.2	Very low	33 Å²	33	114.4 Å²	114.4	34%	0.34	60%	0.597	S	S	.	*			trans	-140.4	19.3	178.7	0	0	0	0	0	114.7	G145 A149 E150 D151	G145-G147 PolarHBondContact O-N 3.06Å; G147-A149 PolarHBondContact O-N 3.21Å; G147-E150 PolarHBondContact O-N 3.19Å; G147-E150 VanDerWaalsContact O-N 3.14Å; G147-D151 PolarHBondContact O-N 2.96Å
148	A	45.5	Very low	49.6	Very low	84 Å²	84	110.4 Å²	110.4	69%	0.694	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-8.1	-170.1	0	0	0	0	0	116.1
149	A	50	Low	51.9	Low	67 Å²	67	105.7 Å²	105.7	55%	0.554	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-47.3	171.9	0	0	0	0	0	112.2	G147 D152 E153	G147-A149 PolarHBondContact O-N 3.21Å; A149-D152 PolarHBondContact O-N 3.17Å; A149-E153 WeakPolarHBondContact O-CG 3.49Å; A149-E153 PolarHBondContact O-N 3.27Å
150	E	51.9	Low	54.5	Low	137 Å²	137	100.2 Å²	100.2	64%	0.64	55%	0.545	S	S	*	.	H	α-helix	trans	-72.5	-36.5	-172.8	-62	-173.4	147.8	0	0	112.3	G147 D152 E153 E154	G147-E150 PolarHBondContact O-N 3.19Å; G147-E150 VanDerWaalsContact O-N 3.14Å; E150-D152 VanDerWaalsContact C-N 3.35Å; E150-E153 PolarHBondContact O-N 2.97Å; E150-E154 PolarHBondContact O-N 3.44Å
151	D	58.3	Low	56.8	Low	92 Å²	92	95.9 Å²	95.9	49%	0.492	51%	0.513	S	S	.	.	H	α-helix	trans	-68.8	-31.6	176.7	-176.3	43.3	0	0	0	112.1	G147 K155	G147-D151 PolarHBondContact O-N 2.96Å; D151-K155 VanDerWaalsContact CG-CE 3.42Å; D151-K155 VanDerWaalsContact CG-NZ 3.26Å; D151-K155 WeakPolarHBondContact O-CD 3.48Å; D151-K155 WeakPolarHBondContact O-CE 3.4Å; D151-K155 VanDerWaalsContact O-CG 3.3Å; D151-K155 WeakPolarHBondContact O-CG 3.39Å; D151-K155 PolarHBondContact O-N 2.88Å; D151-K155 WeakPolarHBondContact OD1-CE 3.37Å; D151-K155 IonicContact OD1-NZ 3.09Å; D151-K155 VanDerWaalsContact OD2-CE 3.24Å; D151-K155 WeakPolarHBondContact OD2-CE 2.89Å; D151-K155 IonicContact OD2-NZ 2.78Å; D151-K155 PolarHBondContact OD2-NZ 2.89Å
152	D	66.4	Low	59.4	Low	79 Å²	79	93.8 Å²	93.8	42%	0.422	50%	0.504	S	S	.	.	H	α-helix	trans	-79.3	-30.6	172.6	-81.6	3.9	0	0	0	112.4	A149 E150 K155 H156	A149-D152 PolarHBondContact O-N 3.17Å; E150-D152 VanDerWaalsContact C-N 3.35Å; D152-K155 PolarHBondContact O-N 3.39Å; D152-K155 IonicContact OD1-NZ 2.78Å; D152-K155 PolarHBondContact OD1-NZ 2.73Å; D152-H156 PolarHBondContact O-N 3.38Å; D152-H156 PolarHBondContact O-ND1 3.43Å
153	E	68.5	Low	61.6	Low	39 Å²	39	87.4 Å²	87.4	18%	0.182	49%	0.493	C	S	.	.	H	α-helix	trans	-67.4	-34.2	168.1	-75.4	179.6	-173.7	0	0	112.4	A149 E150 F157 R177	A149-E153 WeakPolarHBondContact O-CG 3.49Å; A149-E153 PolarHBondContact O-N 3.27Å; E150-E153 PolarHBondContact O-N 2.97Å; E153-F157 WeakPolarHBondContact O-CB 3.33Å; E153-F157 PolarHBondContact O-N 3.49Å; E153-R177 PolarHBondContact O-NH1 3.22Å
154	E	72.6	Confident	63.8	Low	89 Å²	89	79.1 Å²	79.1	42%	0.416	46%	0.459	S	S	.	.	H	α-helix	trans	-58.9	-52.2	170	-161.2	67	-100.2	0	0	111.2	E150 H156 F157 A158 R177	E150-E154 PolarHBondContact O-N 3.44Å; E154-H156 PolarHBondContact O-N 2.82Å; E154-F157 PolarHBondContact O-N 2.76Å; E154-A158 WeakPolarHBondContact O-CB 3.25Å; E154-A158 PolarHBondContact O-N 2.72Å; E154-R177 IonicContact OE1-CZ 3.95Å; E154-R177 IonicContact OE1-NE 3.25Å; E154-R177 PolarHBondContact OE1-NE 2.94Å; E154-R177 VanDerWaalsContact OE1-NE 3.16Å; E154-R177 IonicContact OE1-NH1 3.02Å; E154-R177 PolarHBondContact OE1-NH1 2.95Å; E154-R177 IonicContact OE1-NH2 3.33Å; E154-R177 PolarHBondContact OE1-NH2 2.95Å; E154-R177 IonicContact OE2-CZ 2.94Å; E154-R177 IonicContact OE2-NE 2.74Å; E154-R177 PolarHBondContact OE2-NE 3.23Å; E154-R177 VanDerWaalsContact OE2-NE 3.17Å; E154-R177 IonicContact OE2-NH1 3.03Å; E154-R177 IonicContact OE2-NH2 3.82Å; E154-R177 PolarHBondContact OE2-NH2 3.47Å
155	K	74.9	Confident	65.6	Low	85 Å²	85	71.7 Å²	71.7	37%	0.37	43%	0.434	S	S	.	.	H	α-helix	trans	-62.2	-41.4	178.6	-64.4	159.1	-150.4	156.1	0	112.6	D151 D152 A158 M159	D151-K155 VanDerWaalsContact CG-CE 3.42Å; D151-K155 VanDerWaalsContact CG-NZ 3.26Å; D151-K155 WeakPolarHBondContact O-CD 3.48Å; D151-K155 WeakPolarHBondContact O-CE 3.4Å; D151-K155 VanDerWaalsContact O-CG 3.3Å; D151-K155 WeakPolarHBondContact O-CG 3.39Å; D151-K155 PolarHBondContact O-N 2.88Å; D151-K155 WeakPolarHBondContact OD1-CE 3.37Å; D151-K155 IonicContact OD1-NZ 3.09Å; D151-K155 VanDerWaalsContact OD2-CE 3.24Å; D151-K155 WeakPolarHBondContact OD2-CE 2.89Å; D151-K155 IonicContact OD2-NZ 2.78Å; D151-K155 PolarHBondContact OD2-NZ 2.89Å; D152-K155 PolarHBondContact O-N 3.39Å; D152-K155 IonicContact OD1-NZ 2.78Å; D152-K155 PolarHBondContact OD1-NZ 2.73Å; K155-A158 PolarHBondContact O-N 3.45Å; K155-M159 HydrophobicContact CB-CE 4.44Å; K155-M159 WeakPolarHBondContact O-CB 3.5Å; K155-M159 WeakPolarHBondContact O-CE 3.46Å; K155-M159 WeakPolarHBondContact O-CG 3.38Å; K155-M159 PolarHBondContact O-N 3.43Å
156	H	76.1	Confident	67.5	Low	86 Å²	86	69 Å²	69	40%	0.398	41%	0.406	S	S	.	.	H	α-helix	trans	-66.1	-42.6	178.1	-79.9	83.4	0	0	0	112.4	D152 E154 L160 W180	D152-H156 PolarHBondContact O-N 3.38Å; D152-H156 PolarHBondContact O-ND1 3.43Å; E154-H156 PolarHBondContact O-N 2.82Å; H156-L160 WeakPolarHBondContact O-CB 3.43Å; H156-L160 PolarHBondContact O-N 3.49Å; H156-W180 HydrophobicContact CB-CH2 3.75Å; H156-W180 HydrophobicContact CB-CZ2 4.36Å
157	F	80.3	Confident	68.6	Low	10 Å²	10	66 Å²	66	4%	0.044	39%	0.388	C	S	.	.	H	α-helix	trans	-66.5	-40	175.8	-176.9	-103.1	0	0	0	111.7	E153 E154 L160 M161 V176 R177 W180	E153-F157 WeakPolarHBondContact O-CB 3.33Å; E153-F157 PolarHBondContact O-N 3.49Å; E154-F157 PolarHBondContact O-N 2.76Å; F157-L160 PolarHBondContact O-N 2.98Å; F157-M161 HydrophobicContact CD1-CG 4.03Å; F157-M161 HydrophobicContact CD2-CG 4.36Å; F157-M161 HydrophobicContact CE1-CE 4.48Å; F157-M161 HydrophobicContact CE1-CG 3.57Å; F157-M161 HydrophobicContact CE1-SD 4.22Å; F157-M161 HydrophobicContact CE2-CG 3.94Å; F157-M161 HydrophobicContact CE2-SD 4.14Å; F157-M161 HydrophobicContact CG-CG 4.4Å; F157-M161 HydrophobicContact CZ-CE 4.25Å; F157-M161 HydrophobicContact CZ-CG 3.53Å; F157-M161 HydrophobicContact CZ-SD 3.66Å; F157-M161 WeakPolarHBondContact O-CB 3.46Å; F157-M161 VanDerWaalsContact O-CG 3.25Å; F157-M161 WeakPolarHBondContact O-CG 3.45Å; F157-M161 PolarHBondContact O-N 3.38Å; F157-V176 HydrophobicContact CE2-CG1 4.23Å; F157-V176 HydrophobicContact CZ-CB 4.33Å; F157-V176 HydrophobicContact CZ-CG1 4.16Å; F157-R177 HydrophobicContact CD1-CB 3.95Å; F157-R177 HydrophobicContact CD1-CG 3.98Å; F157-R177 HydrophobicContact CE1-CB 3.57Å; F157-R177 HydrophobicContact CE1-CG 4.13Å; F157-R177 HydrophobicContact CE2-CB 4.25Å; F157-R177 HydrophobicContact CG-CB 4.44Å; F157-R177 HydrophobicContact CG-CG 4.29Å; F157-R177 VanDerWaalsContact CZ-CA 3.48Å; F157-R177 HydrophobicContact CZ-CB 3.74Å; F157-W180 HydrophobicContact CB-CE3 4.03Å; F157-W180 HydrophobicContact CB-CH2 4.3Å; F157-W180 HydrophobicContact CB-CZ3 3.89Å; F157-W180 HydrophobicContact CD2-CB 4.04Å; F157-W180 AromaticContact CD2-CD2 3.8Å; F157-W180 HydrophobicContact CD2-CD2 3.8Å; F157-W180 AromaticContact CD2-CE3 3.89Å; F157-W180 HydrophobicContact CD2-CE3 3.89Å; F157-W180 AromaticContact CD2-CG 3.89Å; F157-W180 HydrophobicContact CD2-CG 3.89Å; F157-W180 HydrophobicContact CE2-CB 4.02Å; F157-W180 HydrophobicContact CE2-CG 4.26Å; F157-W180 HydrophobicContact CG-CE3 4.36Å
158	A	77.9	Confident	69.7	Low	52 Å²	52	69.5 Å²	69.5	43%	0.43	41%	0.408	S	S	.	.	H	α-helix	trans	-61.4	-50	175.5	0	0	0	0	0	112	E154 K155 L160 M161 E162	E154-A158 WeakPolarHBondContact O-CB 3.25Å; E154-A158 PolarHBondContact O-N 2.72Å; K155-A158 PolarHBondContact O-N 3.45Å; A158-L160 VanDerWaalsContact C-N 3.31Å; A158-L160 PolarHBondContact O-N 3.4Å; A158-M161 PolarHBondContact O-N 2.98Å; A158-E162 WeakPolarHBondContact O-CB 3.16Å; A158-E162 PolarHBondContact O-N 3.47Å
159	M	77.3	Confident	70.7	Confident	105 Å²	105	68 Å²	68	52%	0.517	39%	0.387	S	S	.	.	H	α-helix	trans	-61.1	-37.6	176.2	-73.3	-174.9	-67.5	0	0	112.4	K155 S163	K155-M159 HydrophobicContact CB-CE 4.44Å; K155-M159 WeakPolarHBondContact O-CB 3.5Å; K155-M159 WeakPolarHBondContact O-CE 3.46Å; K155-M159 WeakPolarHBondContact O-CG 3.38Å; K155-M159 PolarHBondContact O-N 3.43Å; M159-S163 VanDerWaalsContact O-CB 3.28Å; M159-S163 WeakPolarHBondContact O-CB 3.42Å; M159-S163 PolarHBondContact O-N 2.92Å; M159-S163 PolarHBondContact O-OG 3.21Å
160	L	80.1	Confident	71.7	Confident	25 Å²	25	66.6 Å²	66.6	13%	0.131	37%	0.371	C	S	.	.	H	α-helix	trans	-61.2	-55.1	172.7	176	67.7	0	0	0	110.6	H156 F157 A158 E162 S163 L164 E195	H156-L160 WeakPolarHBondContact O-CB 3.43Å; H156-L160 PolarHBondContact O-N 3.49Å; F157-L160 PolarHBondContact O-N 2.98Å; A158-L160 VanDerWaalsContact C-N 3.31Å; A158-L160 PolarHBondContact O-N 3.4Å; L160-E162 VanDerWaalsContact C-N 3.27Å; L160-E162 PolarHBondContact O-N 2.89Å; L160-S163 PolarHBondContact O-N 2.97Å; L160-S163 VanDerWaalsContact O-N 3.13Å; L160-S163 PolarHBondContact O-OG 2.92Å; L160-L164 HydrophobicContact CD1-CD1 3.9Å; L160-L164 HydrophobicContact CD1-CG 4.06Å; L160-L164 HydrophobicContact CG-CD1 4.12Å; L160-L164 HydrophobicContact CG-CG 4.46Å; L160-L164 WeakPolarHBondContact O-CG 3.29Å; L160-L164 PolarHBondContact O-N 2.77Å; L160-E195 HydrophobicContact CD1-CG 4.28Å; L160-E195 HydrophobicContact CD2-CG 3.88Å
161	M	80.8	Confident	72.8	Confident	10 Å²	10	68.9 Å²	68.9	5%	0.049	38%	0.381	C	S	.	.	H	α-helix	trans	-60.8	-34.1	-178.9	-70.2	-75.2	-72.3	0	0	112.9	F157 A158 G165 A166 L170 P173	F157-M161 HydrophobicContact CD1-CG 4.03Å; F157-M161 HydrophobicContact CD2-CG 4.36Å; F157-M161 HydrophobicContact CE1-CE 4.48Å; F157-M161 HydrophobicContact CE1-CG 3.57Å; F157-M161 HydrophobicContact CE1-SD 4.22Å; F157-M161 HydrophobicContact CE2-CG 3.94Å; F157-M161 HydrophobicContact CE2-SD 4.14Å; F157-M161 HydrophobicContact CG-CG 4.4Å; F157-M161 HydrophobicContact CZ-CE 4.25Å; F157-M161 HydrophobicContact CZ-CG 3.53Å; F157-M161 HydrophobicContact CZ-SD 3.66Å; F157-M161 WeakPolarHBondContact O-CB 3.46Å; F157-M161 VanDerWaalsContact O-CG 3.25Å; F157-M161 WeakPolarHBondContact O-CG 3.45Å; F157-M161 PolarHBondContact O-N 3.38Å; A158-M161 PolarHBondContact O-N 2.98Å; M161-G165 PolarHBondContact O-N 3.32Å; M161-A166 HydrophobicContact CE-CB 3.93Å; M161-A166 PolarHBondContact O-N 2.71Å; M161-A166 HydrophobicContact SD-CB 3.91Å; M161-L170 HydrophobicContact CE-CD1 4.01Å; M161-L170 HydrophobicContact SD-CD1 4.49Å; M161-P173 HydrophobicContact CE-CB 4.09Å
162	E	80.3	Confident	73.6	Confident	145 Å²	145	69.8 Å²	69.8	68%	0.678	38%	0.383	S	S	*	.	H	α-helix	trans	-68.4	-48.3	172.4	-174.4	170.9	-149	0	0	111.4	A158 L160 L164 G165	A158-E162 WeakPolarHBondContact O-CB 3.16Å; A158-E162 PolarHBondContact O-N 3.47Å; L160-E162 VanDerWaalsContact C-N 3.27Å; L160-E162 PolarHBondContact O-N 2.89Å; E162-L164 VanDerWaalsContact C-N 3.25Å; E162-L164 PolarHBondContact O-N 2.73Å; E162-G165 PolarHBondContact O-N 3.3Å
163	S	77.6	Confident	74.1	Confident	91 Å²	91	68.7 Å²	68.7	64%	0.636	38%	0.379	S	S	*	.	H	α-helix	trans	-62.7	-29.1	177.6	74.7	0	0	0	0	113.8	M159 L160 G165	M159-S163 VanDerWaalsContact O-CB 3.28Å; M159-S163 WeakPolarHBondContact O-CB 3.42Å; M159-S163 PolarHBondContact O-N 2.92Å; M159-S163 PolarHBondContact O-OG 3.21Å; L160-S163 PolarHBondContact O-N 2.97Å; L160-S163 VanDerWaalsContact O-N 3.13Å; L160-S163 PolarHBondContact O-OG 2.92Å; S163-G165 VanDerWaalsContact C-N 3.34Å
164	L	74.5	Confident	74.4	Confident	32 Å²	32	70.2 Å²	70.2	17%	0.168	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-1.1	175	-63.5	-172	0	0	0	113.4	L160 E162 A166 L198 A199 T202	L160-L164 HydrophobicContact CD1-CD1 3.9Å; L160-L164 HydrophobicContact CD1-CG 4.06Å; L160-L164 HydrophobicContact CG-CD1 4.12Å; L160-L164 HydrophobicContact CG-CG 4.46Å; L160-L164 WeakPolarHBondContact O-CG 3.29Å; L160-L164 PolarHBondContact O-N 2.77Å; E162-L164 VanDerWaalsContact C-N 3.25Å; E162-L164 PolarHBondContact O-N 2.73Å; L164-A166 HydrophobicContact CB-CB 4.16Å; L164-A166 PolarHBondContact O-N 2.73Å; L164-L198 HydrophobicContact CD1-CB 3.93Å; L164-A199 HydrophobicContact CD1-CB 4.4Å; L164-A199 HydrophobicContact CD2-CB 3.54Å; L164-T202 PolarHBondContact O-OG1 3.39Å; L164-T202 VanDerWaalsContact O-OG1 3.07Å
165	G	70.8	Confident	74.7	Confident	36 Å²	36	72.1 Å²	72.1	37%	0.371	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	22.6	-176.1	0	0	0	0	0	113.9	M161 E162 S163 L169	M161-G165 PolarHBondContact O-N 3.32Å; E162-G165 PolarHBondContact O-N 3.3Å; S163-G165 VanDerWaalsContact C-N 3.34Å; G165-L169 VanDerWaalsContact O-CD1 3.31Å; G165-L169 WeakPolarHBondContact O-CD1 3.34Å
166	A	70	Confident	74.9	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.008	40%	0.398	C	S	.	.			trans	-93	-14.2	-165.5	0	0	0	0	0	114	M161 L164 S168 L169 L170 T202	M161-A166 HydrophobicContact CE-CB 3.93Å; M161-A166 PolarHBondContact O-N 2.71Å; M161-A166 HydrophobicContact SD-CB 3.91Å; L164-A166 HydrophobicContact CB-CB 4.16Å; L164-A166 PolarHBondContact O-N 2.73Å; A166-S168 PolarHBondContact O-N 2.97Å; A166-L169 PolarHBondContact O-N 3.48Å; A166-L170 HydrophobicContact CB-CD1 4.18Å; A166-T202 HydrophobicContact CB-CG2 3.51Å
167	S	66.2	Low	75.2	Confident	87 Å²	87	67.6 Å²	67.6	61%	0.608	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-17.6	-170.6	51.4	0	0	0	0	115.7
168	S	64.5	Low	75.2	Confident	108 Å²	108	70.8 Å²	70.8	76%	0.755	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.9	7.9	175.2	58.9	0	0	0	0	114.3	A166	A166-S168 PolarHBondContact O-N 2.97Å
169	L	65.3	Low	75.3	Confident	51 Å²	51	72.1 Å²	72.1	27%	0.267	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-12.2	-177.5	-64.8	-178.4	0	0	0	114.1	G165 A166 I205 R206	G165-L169 VanDerWaalsContact O-CD1 3.31Å; G165-L169 WeakPolarHBondContact O-CD1 3.34Å; A166-L169 PolarHBondContact O-N 3.48Å; L169-I205 HydrophobicContact CB-CG2 4.36Å; L169-I205 HydrophobicContact CD2-CG2 4.5Å; L169-R206 HydrophobicContact CD1-CB 4Å
170	L	71.9	Confident	75.5	Confident	39 Å²	39	67.3 Å²	67.3	20%	0.204	39%	0.387	C	S	.	.			trans	-116	122.5	-177.7	-65.1	172.4	0	0	0	109.3	M161 A166 H172 V176 T202 I205	M161-L170 HydrophobicContact CE-CD1 4.01Å; M161-L170 HydrophobicContact SD-CD1 4.49Å; A166-L170 HydrophobicContact CB-CD1 4.18Å; L170-H172 VanDerWaalsContact C-N 3.3Å; L170-H172 PolarHBondContact O-N 2.67Å; L170-V176 HydrophobicContact CD1-CG2 4.48Å; L170-T202 HydrophobicContact CD1-CG2 4.31Å; L170-I205 HydrophobicContact CD2-CD1 4.44Å
171	E	74.4	Confident	75.5	Confident	184 Å²	184	66.7 Å²	66.7	86%	0.86	39%	0.385	S	S	*	.	S	Bend	trans	-68.5	-26.9	-173.2	-61.2	-178.1	143	0	0	113.1
172	H	75.9	Confident	75.5	Confident	112 Å²	112	71 Å²	71	52%	0.519	41%	0.405	S	S	.	.			trans	-127.8	68.3	-176.8	-61.7	-10.5	0	0	0	111.8	L170 A174 E175	L170-H172 VanDerWaalsContact C-N 3.3Å; L170-H172 PolarHBondContact O-N 2.67Å; H172-A174 PolarHBondContact O-N 2.93Å; H172-E175 HydrophobicContact CB-CG 4.19Å; H172-E175 IonicContact CD2-OE2 2.71Å; H172-E175 PolarHBondContact O-N 3.3Å
173	P	75.4	Confident	75.5	Confident	55 Å²	55	66 Å²	66	36%	0.357	38%	0.383	S	S	.	.	H	α-helix	trans	-64.9	-22.8	-176.9	27.6	-34.8	0	0	0	113.1	M161 R177	M161-P173 HydrophobicContact CE-CB 4.09Å; P173-R177 WeakPolarHBondContact O-CB 3.48Å; P173-R177 PolarHBondContact O-N 3.42Å
174	A	74.9	Confident	75.5	Confident	72 Å²	72	65.8 Å²	65.8	60%	0.595	37%	0.368	S	S	*	.	H	α-helix	trans	-67.4	-31.4	177.3	0	0	0	0	0	113.5	H172 R177 S178	H172-A174 PolarHBondContact O-N 2.93Å; A174-R177 WeakPolarHBondContact O-CB 3.25Å; A174-S178 PolarHBondContact O-N 3.42Å
175	E	78.5	Confident	75.7	Confident	129 Å²	129	71.7 Å²	71.7	60%	0.603	39%	0.388	S	S	*	.	H	α-helix	trans	-74.5	-43.4	177.3	-62.2	-177.1	168.4	0	0	110.5	H172 R177 S178 L179	H172-E175 HydrophobicContact CB-CG 4.19Å; H172-E175 IonicContact CD2-OE2 2.71Å; H172-E175 PolarHBondContact O-N 3.3Å; E175-R177 VanDerWaalsContact C-N 3.3Å; E175-R177 PolarHBondContact O-N 2.77Å; E175-S178 WeakPolarHBondContact O-CB 3.4Å; E175-S178 PolarHBondContact O-N 2.73Å; E175-L179 PolarHBondContact O-N 3.15Å
176	V	81.2	Confident	76.1	Confident	26 Å²	26	74.8 Å²	74.8	16%	0.158	40%	0.396	C	S	.	.	H	α-helix	trans	-61.4	-39.1	173.2	-176.3	0	0	0	0	111	F157 L170 L179 W180 F194 L198	F157-V176 HydrophobicContact CE2-CG1 4.23Å; F157-V176 HydrophobicContact CZ-CB 4.33Å; F157-V176 HydrophobicContact CZ-CG1 4.16Å; L170-V176 HydrophobicContact CD1-CG2 4.48Å; V176-L179 PolarHBondContact O-N 2.85Å; V176-W180 WeakPolarHBondContact O-CB 3.48Å; V176-W180 PolarHBondContact O-N 3.14Å; V176-F194 HydrophobicContact CG1-CZ 4.28Å; V176-L198 HydrophobicContact CG1-CD1 3.77Å; V176-L198 HydrophobicContact CG1-CD2 3.92Å
177	R	81.8	Confident	76.4	Confident	50 Å²	50	79.4 Å²	79.4	19%	0.189	42%	0.418	C	S	.	.	H	α-helix	trans	-58.3	-51.2	171.8	178.9	174.4	175.4	59.5	6.2	112	E153 E154 F157 P173 A174 E175 L179 W180 A181	E153-R177 PolarHBondContact O-NH1 3.22Å; E154-R177 IonicContact OE1-CZ 3.95Å; E154-R177 IonicContact OE1-NE 3.25Å; E154-R177 PolarHBondContact OE1-NE 2.94Å; E154-R177 VanDerWaalsContact OE1-NE 3.16Å; E154-R177 IonicContact OE1-NH1 3.02Å; E154-R177 PolarHBondContact OE1-NH1 2.95Å; E154-R177 IonicContact OE1-NH2 3.33Å; E154-R177 PolarHBondContact OE1-NH2 2.95Å; E154-R177 IonicContact OE2-CZ 2.94Å; E154-R177 IonicContact OE2-NE 2.74Å; E154-R177 PolarHBondContact OE2-NE 3.23Å; E154-R177 VanDerWaalsContact OE2-NE 3.17Å; E154-R177 IonicContact OE2-NH1 3.03Å; E154-R177 IonicContact OE2-NH2 3.82Å; E154-R177 PolarHBondContact OE2-NH2 3.47Å; F157-R177 HydrophobicContact CD1-CB 3.95Å; F157-R177 HydrophobicContact CD1-CG 3.98Å; F157-R177 HydrophobicContact CE1-CB 3.57Å; F157-R177 HydrophobicContact CE1-CG 4.13Å; F157-R177 HydrophobicContact CE2-CB 4.25Å; F157-R177 HydrophobicContact CG-CB 4.44Å; F157-R177 HydrophobicContact CG-CG 4.29Å; F157-R177 VanDerWaalsContact CZ-CA 3.48Å; F157-R177 HydrophobicContact CZ-CB 3.74Å; P173-R177 WeakPolarHBondContact O-CB 3.48Å; P173-R177 PolarHBondContact O-N 3.42Å; A174-R177 WeakPolarHBondContact O-CB 3.25Å; E175-R177 VanDerWaalsContact C-N 3.3Å; E175-R177 PolarHBondContact O-N 2.77Å; R177-L179 VanDerWaalsContact C-N 3.33Å; R177-L179 PolarHBondContact O-N 3Å; R177-W180 PolarHBondContact O-N 3.35Å; R177-A181 WeakPolarHBondContact O-CB 3.45Å; R177-A181 PolarHBondContact O-N 2.99Å
178	S	79.3	Confident	76.8	Confident	76 Å²	76	79.5 Å²	79.5	53%	0.531	42%	0.416	S	S	.	.	H	α-helix	trans	-58.2	-46.2	-179.8	-170.8	0	0	0	0	111.3	A174 E175 A181 Q182	A174-S178 PolarHBondContact O-N 3.42Å; E175-S178 WeakPolarHBondContact O-CB 3.4Å; E175-S178 PolarHBondContact O-N 2.73Å; S178-A181 PolarHBondContact O-N 3.14Å; S178-Q182 WeakPolarHBondContact O-CB 3.3Å; S178-Q182 PolarHBondContact O-N 2.96Å
179	L	79.9	Confident	77.3	Confident	81 Å²	81	81.8 Å²	81.8	42%	0.424	42%	0.415	S	S	.	.	H	α-helix	trans	-66.1	-40.7	179	-174.1	59	0	0	0	112.9	E175 V176 R177 Q182 L183 F194	E175-L179 PolarHBondContact O-N 3.15Å; V176-L179 PolarHBondContact O-N 2.85Å; R177-L179 VanDerWaalsContact C-N 3.33Å; R177-L179 PolarHBondContact O-N 3Å; L179-Q182 PolarHBondContact O-N 2.7Å; L179-L183 HydrophobicContact CD1-CD1 3.89Å; L179-L183 HydrophobicContact CG-CD1 4.33Å; L179-L183 PolarHBondContact O-N 3.06Å; L179-F194 HydrophobicContact CB-CZ 4.35Å; L179-F194 HydrophobicContact CD2-CE2 3.64Å; L179-F194 HydrophobicContact CD2-CZ 3.73Å; L179-F194 HydrophobicContact CG-CE2 4.18Å; L179-F194 HydrophobicContact CG-CZ 3.97Å
180	W	82.9	Confident	78	Confident	4 Å²	4	82.6 Å²	82.6	2%	0.015	42%	0.419	C	S	.	.	H	α-helix	trans	-63.7	-47.1	175.3	-179	87.9	0	0	0	111.9	H156 F157 V176 R177 Q182 L183 R184 L191 F194 E195	H156-W180 HydrophobicContact CB-CH2 3.75Å; H156-W180 HydrophobicContact CB-CZ2 4.36Å; F157-W180 HydrophobicContact CB-CE3 4.03Å; F157-W180 HydrophobicContact CB-CH2 4.3Å; F157-W180 HydrophobicContact CB-CZ3 3.89Å; F157-W180 HydrophobicContact CD2-CB 4.04Å; F157-W180 AromaticContact CD2-CD2 3.8Å; F157-W180 HydrophobicContact CD2-CD2 3.8Å; F157-W180 AromaticContact CD2-CE3 3.89Å; F157-W180 HydrophobicContact CD2-CE3 3.89Å; F157-W180 AromaticContact CD2-CG 3.89Å; F157-W180 HydrophobicContact CD2-CG 3.89Å; F157-W180 HydrophobicContact CE2-CB 4.02Å; F157-W180 HydrophobicContact CE2-CG 4.26Å; F157-W180 HydrophobicContact CG-CE3 4.36Å; V176-W180 WeakPolarHBondContact O-CB 3.48Å; V176-W180 PolarHBondContact O-N 3.14Å; R177-W180 PolarHBondContact O-N 3.35Å; W180-Q182 VanDerWaalsContact C-N 3.29Å; W180-Q182 PolarHBondContact O-N 3.03Å; W180-L183 PolarHBondContact O-N 3.39Å; W180-R184 VanDerWaalsContact O-CB 3.3Å; W180-R184 WeakPolarHBondContact O-CB 3.46Å; W180-R184 PolarHBondContact O-N 3.04Å; W180-L191 HydrophobicContact CG-CD1 4.2Å; W180-F194 HydrophobicContact CB-CE1 4.02Å; W180-E195 PolarHBondContact NE1-OE1 3.23Å
181	A	80.1	Confident	78.4	Confident	12 Å²	12	81.8 Å²	81.8	10%	0.099	42%	0.415	C	S	.	.	H	α-helix	trans	-64.7	-33.2	177.6	0	0	0	0	0	112.1	R177 S178 R185	R177-A181 WeakPolarHBondContact O-CB 3.45Å; R177-A181 PolarHBondContact O-N 2.99Å; S178-A181 PolarHBondContact O-N 3.14Å; A181-R185 WeakPolarHBondContact O-CG 3.11Å; A181-R185 PolarHBondContact O-N 2.86Å; A181-R185 PolarHBondContact O-NE 3.28Å
182	Q	79.4	Confident	78.7	Confident	99 Å²	99	77 Å²	77	46%	0.463	40%	0.402	S	S	.	.	H	α-helix	trans	-70.2	-51.1	173.4	-171.1	168.9	2.1	0	0	112.1	S178 L179 W180 R184 R185 D186	S178-Q182 WeakPolarHBondContact O-CB 3.3Å; S178-Q182 PolarHBondContact O-N 2.96Å; L179-Q182 PolarHBondContact O-N 2.7Å; W180-Q182 VanDerWaalsContact C-N 3.29Å; W180-Q182 PolarHBondContact O-N 3.03Å; Q182-R184 PolarHBondContact O-N 3.48Å; Q182-R185 PolarHBondContact O-N 2.86Å; Q182-D186 WeakPolarHBondContact CG-OD2 2.96Å; Q182-D186 PolarHBondContact NE2-OD2 3.25Å; Q182-D186 PolarHBondContact O-N 2.97Å
183	L	80.3	Confident	79.1	Confident	40 Å²	40	76.2 Å²	76.2	21%	0.209	40%	0.402	C	S	.	.	H	α-helix	trans	-56	-39.3	177.3	-107.9	79.4	0	0	0	112.3	L179 W180 R185 E187 L190 L191 F194	L179-L183 HydrophobicContact CD1-CD1 3.89Å; L179-L183 HydrophobicContact CG-CD1 4.33Å; L179-L183 PolarHBondContact O-N 3.06Å; W180-L183 PolarHBondContact O-N 3.39Å; L183-R185 VanDerWaalsContact C-N 3.26Å; L183-R185 PolarHBondContact O-N 3.29Å; L183-E187 CarbonylContact O-C 3.5Å; L183-E187 PolarHBondContact O-N 3.36Å; L183-L190 HydrophobicContact CD2-CB 4.13Å; L183-L191 HydrophobicContact CB-CD1 4.02Å; L183-F194 HydrophobicContact CD2-CB 3.69Å; L183-F194 HydrophobicContact CD2-CG 4.11Å
184	R	78.4	Confident	79.4	Confident	87 Å²	87	75.1 Å²	75.1	33%	0.328	39%	0.391	S	S	.	.	H	α-helix	trans	-64.8	-27.1	179.8	-177.9	170.4	170.7	140.4	-3.5	113.3	W180 Q182 L191	W180-R184 VanDerWaalsContact O-CB 3.3Å; W180-R184 WeakPolarHBondContact O-CB 3.46Å; W180-R184 PolarHBondContact O-N 3.04Å; Q182-R184 PolarHBondContact O-N 3.48Å; R184-L191 HydrophobicContact CB-CD1 4.05Å; R184-L191 HydrophobicContact CB-CD2 3.96Å; R184-L191 HydrophobicContact CG-CD2 4Å
185	R	77.6	Confident	79.8	Confident	156 Å²	156	74.1 Å²	74.1	59%	0.589	37%	0.374	S	S	*	.	H	α-helix	trans	-92	-43.4	177	-68	-173.3	-62	-139.7	3.1	112.8	A181 Q182 L183	A181-R185 WeakPolarHBondContact O-CG 3.11Å; A181-R185 PolarHBondContact O-N 2.86Å; A181-R185 PolarHBondContact O-NE 3.28Å; Q182-R185 PolarHBondContact O-N 2.86Å; L183-R185 VanDerWaalsContact C-N 3.26Å; L183-R185 PolarHBondContact O-N 3.29Å
186	D	79.5	Confident	80.1	Confident	101 Å²	101	72 Å²	72	54%	0.54	37%	0.366	S	S	.	.	H	α-helix	trans	-88.6	-43	-169.3	-62.8	-11.3	0	0	0	112.4	Q182	Q182-D186 WeakPolarHBondContact CG-OD2 2.96Å; Q182-D186 PolarHBondContact NE2-OD2 3.25Å; Q182-D186 PolarHBondContact O-N 2.97Å
187	E	77.9	Confident	80.4	Confident	99 Å²	99	76.6 Å²	76.6	46%	0.463	38%	0.384	S	S	.	.			trans	-142.2	70.6	-176.6	-67	-158.3	105.7	0	0	113	L183 Q189 L190	L183-E187 CarbonylContact O-C 3.5Å; L183-E187 PolarHBondContact O-N 3.36Å; E187-Q189 PolarHBondContact O-N 3.17Å; E187-L190 HydrophobicContact CB-CD1 4.21Å; E187-L190 PolarHBondContact O-N 3.15Å; E187-L190 WeakPolarHBondContact OE2-CD1 3.4Å
188	P	73.8	Confident	80.5	Confident	88 Å²	88	74.8 Å²	74.8	57%	0.571	38%	0.378	S	S	*	.	H	α-helix	trans	-60.4	-20.8	-173.5	23.1	-34.7	0	0	0	114.6	L190 L191	P188-L190 PolarHBondContact O-N 3.4Å; P188-L191 WeakPolarHBondContact O-CB 3.33Å; P188-L191 PolarHBondContact O-N 3.23Å
189	Q	75.5	Confident	80.7	Confident	156 Å²	156	72.5 Å²	72.5	73%	0.729	37%	0.365	S	S	*	.	H	α-helix	trans	-65.1	-21.4	173.4	63.2	-175	-6.3	0	0	114.3	E187	E187-Q189 PolarHBondContact O-N 3.17Å
190	L	78.9	Confident	81.1	Confident	69 Å²	69	76.3 Å²	76.3	36%	0.361	37%	0.373	S	S	.	.	H	α-helix	trans	-97.3	-14.3	179.3	-80.4	159.8	0	0	0	113.3	L183 E187 P188 S192 N193 F194	L183-L190 HydrophobicContact CD2-CB 4.13Å; E187-L190 HydrophobicContact CB-CD1 4.21Å; E187-L190 PolarHBondContact O-N 3.15Å; E187-L190 WeakPolarHBondContact OE2-CD1 3.4Å; P188-L190 PolarHBondContact O-N 3.4Å; L190-S192 PolarHBondContact O-N 3.41Å; L190-N193 WeakPolarHBondContact O-CB 3.45Å; L190-N193 PolarHBondContact O-N 3.02Å; L190-F194 PolarHBondContact O-N 2.88Å; L190-F194 VanDerWaalsContact O-N 3.12Å
191	L	80.9	Confident	81.3	Confident	22 Å²	22	78 Å²	78	12%	0.115	38%	0.384	C	S	.	.	H	α-helix	trans	-55.1	-47.6	-176	-169.2	67.7	0	0	0	112.2	W180 L183 R184 P188 N193 F194 E195	W180-L191 HydrophobicContact CG-CD1 4.2Å; L183-L191 HydrophobicContact CB-CD1 4.02Å; R184-L191 HydrophobicContact CB-CD1 4.05Å; R184-L191 HydrophobicContact CB-CD2 3.96Å; R184-L191 HydrophobicContact CG-CD2 4Å; P188-L191 WeakPolarHBondContact O-CB 3.33Å; P188-L191 PolarHBondContact O-N 3.23Å; L191-N193 VanDerWaalsContact C-N 3.28Å; L191-N193 PolarHBondContact O-N 3.46Å; L191-F194 WeakPolarHBondContact O-CB 3.41Å; L191-F194 PolarHBondContact O-N 3.3Å; L191-F194 VanDerWaalsContact O-N 3.07Å; L191-E195 WeakPolarHBondContact O-CG 3.45Å; L191-E195 PolarHBondContact O-N 2.83Å
192	S	80.4	Confident	81.6	Confident	82 Å²	82	77.6 Å²	77.6	57%	0.573	38%	0.38	S	S	*	.	H	α-helix	trans	-62.8	-31.1	178.9	-177.3	0	0	0	0	113.4	L190 L196	L190-S192 PolarHBondContact O-N 3.41Å; S192-L196 VanDerWaalsContact O-CB 3.23Å; S192-L196 WeakPolarHBondContact O-CB 3.35Å; S192-L196 PolarHBondContact O-N 3.47Å
193	N	83.9	Confident	81.9	Confident	97 Å²	97	74 Å²	74	52%	0.519	37%	0.368	S	S	.	.	H	α-helix	trans	-72.1	-35.9	174.8	-68.3	-50.2	0	0	0	111.6	L190 L191 F197	L190-N193 WeakPolarHBondContact O-CB 3.45Å; L190-N193 PolarHBondContact O-N 3.02Å; L191-N193 VanDerWaalsContact C-N 3.28Å; L191-N193 PolarHBondContact O-N 3.46Å; N193-F197 WeakPolarHBondContact O-CB 3.44Å; N193-F197 PolarHBondContact O-N 2.82Å
194	F	83	Confident	82.3	Confident	31 Å²	31	78.9 Å²	78.9	14%	0.136	39%	0.389	C	S	.	.	H	α-helix	trans	-70	-42.4	174.9	179.9	-109.3	0	0	0	111.9	V176 L179 W180 L183 L190 L191 F197 L198	V176-F194 HydrophobicContact CG1-CZ 4.28Å; L179-F194 HydrophobicContact CB-CZ 4.35Å; L179-F194 HydrophobicContact CD2-CE2 3.64Å; L179-F194 HydrophobicContact CD2-CZ 3.73Å; L179-F194 HydrophobicContact CG-CE2 4.18Å; L179-F194 HydrophobicContact CG-CZ 3.97Å; W180-F194 HydrophobicContact CB-CE1 4.02Å; L183-F194 HydrophobicContact CD2-CB 3.69Å; L183-F194 HydrophobicContact CD2-CG 4.11Å; L190-F194 PolarHBondContact O-N 2.88Å; L190-F194 VanDerWaalsContact O-N 3.12Å; L191-F194 WeakPolarHBondContact O-CB 3.41Å; L191-F194 PolarHBondContact O-N 3.3Å; L191-F194 VanDerWaalsContact O-N 3.07Å; F194-F197 WeakPolarHBondContact O-CB 3.39Å; F194-F197 PolarHBondContact O-N 2.66Å; F194-L198 HydrophobicContact CD1-CD1 4.08Å; F194-L198 HydrophobicContact CE1-CD1 3.59Å; F194-L198 HydrophobicContact CE1-CG 4.23Å; F194-L198 HydrophobicContact CE2-CG 4.46Å; F194-L198 HydrophobicContact CZ-CD1 3.91Å; F194-L198 HydrophobicContact CZ-CD2 4.29Å; F194-L198 HydrophobicContact CZ-CG 4.17Å; F194-L198 WeakPolarHBondContact O-CG 3.2Å; F194-L198 PolarHBondContact O-N 2.61Å
195	E	83.3	Confident	82.8	Confident	52 Å²	52	77.4 Å²	77.4	24%	0.243	39%	0.387	C	S	.	.	H	α-helix	trans	-62.7	-41.9	174.1	-67.6	174.3	160.6	0	0	111.6	L160 W180 L191 F197 L198 A199	L160-E195 HydrophobicContact CD1-CG 4.28Å; L160-E195 HydrophobicContact CD2-CG 3.88Å; W180-E195 PolarHBondContact NE1-OE1 3.23Å; L191-E195 WeakPolarHBondContact O-CG 3.45Å; L191-E195 PolarHBondContact O-N 2.83Å; E195-F197 VanDerWaalsContact C-N 3.34Å; E195-F197 PolarHBondContact O-N 2.63Å; E195-L198 PolarHBondContact O-N 2.68Å; E195-A199 WeakPolarHBondContact O-CB 3.46Å; E195-A199 PolarHBondContact O-N 3.21Å
196	L	84.6	Confident	83.3	Confident	84 Å²	84	75.5 Å²	75.5	44%	0.44	38%	0.38	S	S	.	.	H	α-helix	trans	-66.6	-32.4	173.4	-177.6	62.9	0	0	0	112.9	S192 R200	S192-L196 VanDerWaalsContact O-CB 3.23Å; S192-L196 WeakPolarHBondContact O-CB 3.35Å; S192-L196 PolarHBondContact O-N 3.47Å; L196-R200 VanDerWaalsContact O-CG 3.31Å; L196-R200 WeakPolarHBondContact O-CG 3.46Å; L196-R200 PolarHBondContact O-N 3.19Å
197	F	87.2	Confident	83.8	Confident	122 Å²	122	74.2 Å²	74.2	54%	0.535	37%	0.373	S	S	.	.	H	α-helix	trans	-68	-49.5	173.1	171.4	-99.8	0	0	0	111.1	N193 F194 E195 A199 R200 V201	N193-F197 WeakPolarHBondContact O-CB 3.44Å; N193-F197 PolarHBondContact O-N 2.82Å; F194-F197 WeakPolarHBondContact O-CB 3.39Å; F194-F197 PolarHBondContact O-N 2.66Å; E195-F197 VanDerWaalsContact C-N 3.34Å; E195-F197 PolarHBondContact O-N 2.63Å; F197-A199 VanDerWaalsContact C-N 3.31Å; F197-A199 PolarHBondContact O-N 3.39Å; F197-R200 PolarHBondContact O-N 3.39Å; F197-R200 VanDerWaalsContact O-N 3.11Å; F197-V201 HydrophobicContact CD1-CG2 4.41Å; F197-V201 HydrophobicContact CD2-CG2 4.27Å; F197-V201 HydrophobicContact CE1-CG2 3.98Å; F197-V201 HydrophobicContact CE2-CG2 3.83Å; F197-V201 HydrophobicContact CZ-CG2 3.67Å; F197-V201 WeakPolarHBondContact O-CG2 3.41Å; F197-V201 PolarHBondContact O-N 2.78Å
198	L	83.5	Confident	84.4	Confident	12 Å²	12	72.1 Å²	72.1	6%	0.063	37%	0.373	C	S	.	.	H	α-helix	trans	-55.4	-47	174.1	-71.4	177.2	0	0	0	111	L164 V176 F194 E195 R200 V201 T202	L164-L198 HydrophobicContact CD1-CB 3.93Å; V176-L198 HydrophobicContact CG1-CD1 3.77Å; V176-L198 HydrophobicContact CG1-CD2 3.92Å; F194-L198 HydrophobicContact CD1-CD1 4.08Å; F194-L198 HydrophobicContact CE1-CD1 3.59Å; F194-L198 HydrophobicContact CE1-CG 4.23Å; F194-L198 HydrophobicContact CE2-CG 4.46Å; F194-L198 HydrophobicContact CZ-CD1 3.91Å; F194-L198 HydrophobicContact CZ-CD2 4.29Å; F194-L198 HydrophobicContact CZ-CG 4.17Å; F194-L198 WeakPolarHBondContact O-CG 3.2Å; F194-L198 PolarHBondContact O-N 2.61Å; E195-L198 PolarHBondContact O-N 2.68Å; L198-R200 VanDerWaalsContact C-N 3.26Å; L198-R200 PolarHBondContact O-N 2.8Å; L198-V201 PolarHBondContact O-N 2.97Å; L198-V201 VanDerWaalsContact O-N 3.16Å; L198-T202 VanDerWaalsContact O-CG2 3.3Å; L198-T202 WeakPolarHBondContact O-CG2 3.27Å; L198-T202 PolarHBondContact O-N 3.48Å; L198-T202 PolarHBondContact O-OG1 3.1Å
199	A	84.6	Confident	85.2	Confident	29 Å²	29	71 Å²	71	24%	0.24	36%	0.362	C	S	.	.	H	α-helix	trans	-57.6	-35.6	177.7	0	0	0	0	0	113.7	L164 E195 F197 T202 A203	L164-A199 HydrophobicContact CD1-CB 4.4Å; L164-A199 HydrophobicContact CD2-CB 3.54Å; E195-A199 WeakPolarHBondContact O-CB 3.46Å; E195-A199 PolarHBondContact O-N 3.21Å; F197-A199 VanDerWaalsContact C-N 3.31Å; F197-A199 PolarHBondContact O-N 3.39Å; A199-T202 PolarHBondContact O-OG1 2.92Å; A199-A203 VanDerWaalsContact O-CB 3.24Å; A199-A203 WeakPolarHBondContact O-CB 3.41Å; A199-A203 PolarHBondContact O-N 3.11Å
200	R	86.9	Confident	86	Confident	161 Å²	161	67.1 Å²	67.1	61%	0.608	34%	0.344	S	S	*	.	H	α-helix	trans	-74.7	-41.6	176.3	-72.8	171.3	-178.8	-173.3	1.9	112	L196 F197 L198 Q204	L196-R200 VanDerWaalsContact O-CG 3.31Å; L196-R200 WeakPolarHBondContact O-CG 3.46Å; L196-R200 PolarHBondContact O-N 3.19Å; F197-R200 PolarHBondContact O-N 3.39Å; F197-R200 VanDerWaalsContact O-N 3.11Å; L198-R200 VanDerWaalsContact C-N 3.26Å; L198-R200 PolarHBondContact O-N 2.8Å; R200-Q204 WeakPolarHBondContact O-CB 3.41Å; R200-Q204 WeakPolarHBondContact O-CG 3.33Å; R200-Q204 PolarHBondContact O-N 3.35Å
201	V	87	Confident	86.8	Confident	39 Å²	39	70 Å²	70	24%	0.236	36%	0.355	C	S	.	.	H	α-helix	trans	-67.8	-44	178.9	172.5	0	0	0	0	110.9	F197 L198 Q204 I205	F197-V201 HydrophobicContact CD1-CG2 4.41Å; F197-V201 HydrophobicContact CD2-CG2 4.27Å; F197-V201 HydrophobicContact CE1-CG2 3.98Å; F197-V201 HydrophobicContact CE2-CG2 3.83Å; F197-V201 HydrophobicContact CZ-CG2 3.67Å; F197-V201 WeakPolarHBondContact O-CG2 3.41Å; F197-V201 PolarHBondContact O-N 2.78Å; L198-V201 PolarHBondContact O-N 2.97Å; L198-V201 VanDerWaalsContact O-N 3.16Å; V201-Q204 PolarHBondContact O-N 2.94Å; V201-I205 HydrophobicContact CG1-CD1 3.68Å; V201-I205 HydrophobicContact CG1-CG1 4.4Å; V201-I205 WeakPolarHBondContact O-CB 3.32Å; V201-I205 VanDerWaalsContact O-CG1 3.29Å; V201-I205 WeakPolarHBondContact O-CG1 3.32Å; V201-I205 PolarHBondContact O-N 3.22Å
202	T	85.9	Confident	87.4	Confident	4 Å²	4	74 Å²	74	3%	0.025	37%	0.372	C	S	.	.	H	α-helix	trans	-69	-35.4	178.8	65.2	0	0	0	0	111.6	L164 A166 L170 L198 A199 R206	L164-T202 PolarHBondContact O-OG1 3.39Å; L164-T202 VanDerWaalsContact O-OG1 3.07Å; A166-T202 HydrophobicContact CB-CG2 3.51Å; L170-T202 HydrophobicContact CD1-CG2 4.31Å; L198-T202 VanDerWaalsContact O-CG2 3.3Å; L198-T202 WeakPolarHBondContact O-CG2 3.27Å; L198-T202 PolarHBondContact O-N 3.48Å; L198-T202 PolarHBondContact O-OG1 3.1Å; A199-T202 PolarHBondContact O-OG1 2.92Å; T202-R206 WeakPolarHBondContact O-CB 3.34Å; T202-R206 PolarHBondContact O-N 3.43Å
203	A	86.6	Confident	88.1	Confident	24 Å²	24	77 Å²	77	20%	0.198	37%	0.371	C	S	.	.	H	α-helix	trans	-60	-54.2	168.6	0	0	0	0	0	111.4	A199 I205 R206 D207	A199-A203 VanDerWaalsContact O-CB 3.24Å; A199-A203 WeakPolarHBondContact O-CB 3.41Å; A199-A203 PolarHBondContact O-N 3.11Å; A203-I205 VanDerWaalsContact C-N 3.34Å; A203-I205 PolarHBondContact O-N 2.92Å; A203-R206 PolarHBondContact O-N 3.31Å; A203-R206 VanDerWaalsContact O-N 3.13Å; A203-D207 WeakPolarHBondContact O-CB 3.35Å; A203-D207 PolarHBondContact O-N 2.91Å
204	Q	89.4	Confident	88.7	Confident	141 Å²	141	76.2 Å²	76.2	66%	0.659	37%	0.366	S	S	*	.	H	α-helix	trans	-58.8	-41.2	179.5	-75.4	178.6	-16.8	0	0	113.1	R200 V201 A208	R200-Q204 WeakPolarHBondContact O-CB 3.41Å; R200-Q204 WeakPolarHBondContact O-CG 3.33Å; R200-Q204 PolarHBondContact O-N 3.35Å; V201-Q204 PolarHBondContact O-N 2.94Å; Q204-A208 VanDerWaalsContact O-CB 3.26Å; Q204-A208 WeakPolarHBondContact O-CB 3.43Å; Q204-A208 PolarHBondContact O-N 3.25Å
205	I	88.5	Confident	89.3	Confident	57 Å²	57	80.7 Å²	80.7	29%	0.292	39%	0.389	S	S	.	.	H	α-helix	trans	-65.1	-43.1	175.6	-70.4	169.5	0	0	0	111.1	L169 L170 V201 A203 N209	L169-I205 HydrophobicContact CB-CG2 4.36Å; L169-I205 HydrophobicContact CD2-CG2 4.5Å; L170-I205 HydrophobicContact CD2-CD1 4.44Å; V201-I205 HydrophobicContact CG1-CD1 3.68Å; V201-I205 HydrophobicContact CG1-CG1 4.4Å; V201-I205 WeakPolarHBondContact O-CB 3.32Å; V201-I205 VanDerWaalsContact O-CG1 3.29Å; V201-I205 WeakPolarHBondContact O-CG1 3.32Å; V201-I205 PolarHBondContact O-N 3.22Å; A203-I205 VanDerWaalsContact C-N 3.34Å; A203-I205 PolarHBondContact O-N 2.92Å; I205-N209 VanDerWaalsContact O-CB 3.29Å; I205-N209 WeakPolarHBondContact O-CB 3.36Å; I205-N209 PolarHBondContact O-N 3.18Å; I205-N209 PolarHBondContact O-ND2 2.86Å
206	R	86.9	Confident	89.9	Confident	116 Å²	116	82.2 Å²	82.2	44%	0.438	40%	0.396	S	S	.	.	H	α-helix	trans	-65.5	-43.6	178	-178.9	-166.9	64.4	-144.2	-10	111.5	L169 T202 A203 N209 Q210	L169-R206 HydrophobicContact CD1-CB 4Å; T202-R206 WeakPolarHBondContact O-CB 3.34Å; T202-R206 PolarHBondContact O-N 3.43Å; A203-R206 PolarHBondContact O-N 3.31Å; A203-R206 VanDerWaalsContact O-N 3.13Å; R206-N209 PolarHBondContact O-N 3.03Å; R206-Q210 PolarHBondContact O-N 3.44Å
207	D	90.6	Very high	90.4	Very high	74 Å²	74	80.2 Å²	80.2	40%	0.396	39%	0.39	S	S	.	.	H	α-helix	trans	-71.7	-41.3	-174.9	-57.8	-10.6	0	0	0	109.7	A203 N209 Q210 E211	A203-D207 WeakPolarHBondContact O-CB 3.35Å; A203-D207 PolarHBondContact O-N 2.91Å; D207-N209 PolarHBondContact O-N 3.04Å; D207-Q210 WeakPolarHBondContact O-CA 3.4Å; D207-Q210 WeakPolarHBondContact O-CB 3.19Å; D207-Q210 PolarHBondContact O-N 3.29Å; D207-Q210 VanDerWaalsContact O-N 3.09Å; D207-E211 PolarHBondContact O-N 3.1Å
208	A	91.5	Very high	90.9	Very high	55 Å²	55	76.6 Å²	76.6	46%	0.455	38%	0.382	S	S	.	.	H	α-helix	trans	-64.4	-36.6	170.4	0	0	0	0	0	113.3	Q204 Q210 E211 K212	Q204-A208 VanDerWaalsContact O-CB 3.26Å; Q204-A208 WeakPolarHBondContact O-CB 3.43Å; Q204-A208 PolarHBondContact O-N 3.25Å; A208-Q210 VanDerWaalsContact C-N 3.29Å; A208-Q210 PolarHBondContact O-N 3.39Å; A208-E211 PolarHBondContact O-N 2.81Å; A208-K212 WeakPolarHBondContact O-CB 3.41Å; A208-K212 PolarHBondContact O-N 3.33Å
209	N	89.3	Confident	91.4	Very high	65 Å²	65	82.1 Å²	82.1	35%	0.348	41%	0.411	S	S	.	.	H	α-helix	trans	-67.9	-28.7	171.6	-84.3	-57.2	0	0	0	112.4	I205 R206 D207 R213	I205-N209 VanDerWaalsContact O-CB 3.29Å; I205-N209 WeakPolarHBondContact O-CB 3.36Å; I205-N209 PolarHBondContact O-N 3.18Å; I205-N209 PolarHBondContact O-ND2 2.86Å; R206-N209 PolarHBondContact O-N 3.03Å; D207-N209 PolarHBondContact O-N 3.04Å; N209-R213 WeakPolarHBondContact O-CG 3.19Å; N209-R213 PolarHBondContact O-N 2.85Å; N209-R213 VanDerWaalsContact O-N 3.13Å
210	Q	92.9	Very high	92	Very high	73 Å²	73	87.6 Å²	87.6	34%	0.341	43%	0.43	S	S	.	.	H	α-helix	trans	-70.7	-50.1	172.6	-177.2	54.6	36.6	0	0	110.8	R206 D207 A208 K212 R213 D214	R206-Q210 PolarHBondContact O-N 3.44Å; D207-Q210 WeakPolarHBondContact O-CA 3.4Å; D207-Q210 WeakPolarHBondContact O-CB 3.19Å; D207-Q210 PolarHBondContact O-N 3.29Å; D207-Q210 VanDerWaalsContact O-N 3.09Å; A208-Q210 VanDerWaalsContact C-N 3.29Å; A208-Q210 PolarHBondContact O-N 3.39Å; Q210-K212 VanDerWaalsContact C-N 3.26Å; Q210-K212 PolarHBondContact O-N 2.97Å; Q210-R213 PolarHBondContact O-N 3.33Å; Q210-D214 PolarHBondContact NE2-OD1 2.86Å; Q210-D214 PolarHBondContact NE2-OD2 3.43Å; Q210-D214 PolarHBondContact O-N 3.42Å
211	E	95	Very high	92.4	Very high	129 Å²	129	87.4 Å²	87.4	60%	0.603	43%	0.429	S	S	*	.	H	α-helix	trans	-54.4	-42	174	-70.6	-179.7	173.6	0	0	112	D207 A208 D214 M215	D207-E211 PolarHBondContact O-N 3.1Å; A208-E211 PolarHBondContact O-N 2.81Å; E211-D214 PolarHBondContact O-N 3.08Å; E211-M215 WeakPolarHBondContact O-CB 3.33Å; E211-M215 WeakPolarHBondContact O-CG 3.45Å; E211-M215 PolarHBondContact O-N 2.94Å
212	K	94.8	Very high	92.8	Very high	108 Å²	108	91.8 Å²	91.8	47%	0.47	45%	0.445	S	S	.	.	H	α-helix	trans	-58.1	-49.8	173.1	177.6	-179.8	168.8	-177.5	0	112.1	A208 Q210 D214 M215 E216	A208-K212 WeakPolarHBondContact O-CB 3.41Å; A208-K212 PolarHBondContact O-N 3.33Å; Q210-K212 VanDerWaalsContact C-N 3.26Å; Q210-K212 PolarHBondContact O-N 2.97Å; K212-D214 VanDerWaalsContact C-N 3.31Å; K212-D214 PolarHBondContact O-N 2.86Å; K212-M215 PolarHBondContact O-N 2.96Å; K212-E216 WeakPolarHBondContact CE-OE1 3.44Å; K212-E216 IonicContact NZ-OE1 2.71Å; K212-E216 WeakPolarHBondContact O-CB 3.35Å; K212-E216 WeakPolarHBondContact O-CG 3.15Å; K212-E216 PolarHBondContact O-N 3.44Å
213	R	95.2	Very high	93.3	Very high	143 Å²	143	93.5 Å²	93.5	54%	0.54	46%	0.459	S	S	.	.	H	α-helix	trans	-62.6	-38.2	178.1	-73.8	-174.4	-61.3	-139.9	3.5	112	N209 Q210 E216 S217	N209-R213 WeakPolarHBondContact O-CG 3.19Å; N209-R213 PolarHBondContact O-N 2.85Å; N209-R213 VanDerWaalsContact O-N 3.13Å; Q210-R213 PolarHBondContact O-N 3.33Å; R213-E216 PolarHBondContact O-N 3.01Å; R213-S217 WeakPolarHBondContact O-CB 3.25Å; R213-S217 PolarHBondContact O-N 2.96Å
214	D	95.4	Very high	93.7	Very high	81 Å²	81	94.4 Å²	94.4	43%	0.433	47%	0.467	S	S	.	.	H	α-helix	trans	-68.7	-42.2	178.8	-68.6	-32.4	0	0	0	111.4	Q210 E211 K212 S217 A218	Q210-D214 PolarHBondContact NE2-OD1 2.86Å; Q210-D214 PolarHBondContact NE2-OD2 3.43Å; Q210-D214 PolarHBondContact O-N 3.42Å; E211-D214 PolarHBondContact O-N 3.08Å; K212-D214 VanDerWaalsContact C-N 3.31Å; K212-D214 PolarHBondContact O-N 2.86Å; D214-S217 PolarHBondContact O-N 3.19Å; D214-S217 PolarHBondContact O-OG 3.4Å; D214-A218 PolarHBondContact O-N 2.98Å
215	M	95.8	Very high	94	Very high	125 Å²	125	91 Å²	91	62%	0.616	46%	0.456	S	S	*	.	H	α-helix	trans	-61.3	-45.8	170.8	-74.5	-170.7	-70.8	0	0	112.4	E211 K212 S217 A218 L219	E211-M215 WeakPolarHBondContact O-CB 3.33Å; E211-M215 WeakPolarHBondContact O-CG 3.45Å; E211-M215 PolarHBondContact O-N 2.94Å; K212-M215 PolarHBondContact O-N 2.96Å; M215-S217 VanDerWaalsContact C-N 3.29Å; M215-S217 PolarHBondContact O-N 3.38Å; M215-A218 PolarHBondContact O-N 3.39Å; M215-A218 VanDerWaalsContact O-N 3.17Å; M215-L219 WeakPolarHBondContact O-CB 3.32Å; M215-L219 PolarHBondContact O-N 3.03Å
216	E	96.3	Very high	94.4	Very high	84 Å²	84	92 Å²	92	39%	0.393	46%	0.459	S	S	.	.	H	α-helix	trans	-60.2	-38.2	174.6	-75.8	178.6	-164.6	0	0	111.8	K212 R213 K220	K212-E216 WeakPolarHBondContact CE-OE1 3.44Å; K212-E216 IonicContact NZ-OE1 2.71Å; K212-E216 WeakPolarHBondContact O-CB 3.35Å; K212-E216 WeakPolarHBondContact O-CG 3.15Å; K212-E216 PolarHBondContact O-N 3.44Å; R213-E216 PolarHBondContact O-N 3.01Å; E216-K220 WeakPolarHBondContact O-CB 3.48Å; E216-K220 VanDerWaalsContact O-CG 3.29Å; E216-K220 WeakPolarHBondContact O-CG 3.44Å; E216-K220 PolarHBondContact O-N 2.99Å
217	S	95.7	Very high	94.8	Very high	43 Å²	43	91.2 Å²	91.2	30%	0.301	46%	0.464	S	S	.	.	H	α-helix	trans	-67.3	-34.9	175.6	88.8	0	0	0	0	112.8	R213 D214 M215 R221	R213-S217 WeakPolarHBondContact O-CB 3.25Å; R213-S217 PolarHBondContact O-N 2.96Å; D214-S217 PolarHBondContact O-N 3.19Å; D214-S217 PolarHBondContact O-OG 3.4Å; M215-S217 VanDerWaalsContact C-N 3.29Å; M215-S217 PolarHBondContact O-N 3.38Å; S217-R221 WeakPolarHBondContact O-CB 3.35Å; S217-R221 WeakPolarHBondContact O-CG 3.38Å; S217-R221 PolarHBondContact O-N 3.41Å; S217-R221 VanDerWaalsContact O-N 3.14Å; S217-R221 PolarHBondContact O-NE 3.36Å; S217-R221 PolarHBondContact OG-NH2 3.38Å
218	A	96.6	Very high	95.1	Very high	46 Å²	46	93 Å²	93	38%	0.38	47%	0.473	S	S	.	.	H	α-helix	trans	-74.4	-41.5	179	0	0	0	0	0	110.7	D214 M215 R221 K222	D214-A218 PolarHBondContact O-N 2.98Å; M215-A218 PolarHBondContact O-N 3.39Å; M215-A218 VanDerWaalsContact O-N 3.17Å; A218-R221 PolarHBondContact O-N 3.15Å; A218-K222 WeakPolarHBondContact O-CB 3.43Å; A218-K222 PolarHBondContact O-N 2.81Å
219	L	95.4	Very high	95.4	Very high	128 Å²	128	95.7 Å²	95.7	67%	0.67	48%	0.476	S	S	*	.	H	α-helix	trans	-65.9	-44.7	176.6	-156.2	163.8	0	0	0	110.8	M215 R221 K222 A223	M215-L219 WeakPolarHBondContact O-CB 3.32Å; M215-L219 PolarHBondContact O-N 3.03Å; L219-R221 PolarHBondContact O-N 2.94Å; L219-K222 PolarHBondContact O-N 3.36Å; L219-A223 PolarHBondContact O-N 2.88Å
220	K	95.8	Very high	95.7	Very high	143 Å²	143	96.7 Å²	96.7	62%	0.622	48%	0.481	S	S	*	.	H	α-helix	trans	-60	-42.9	174	-77.2	171.6	178.2	169.2	0	113	E216 A223 A224	E216-K220 WeakPolarHBondContact O-CB 3.48Å; E216-K220 VanDerWaalsContact O-CG 3.29Å; E216-K220 WeakPolarHBondContact O-CG 3.44Å; E216-K220 PolarHBondContact O-N 2.99Å; K220-A223 PolarHBondContact O-N 2.89Å; K220-A224 PolarHBondContact O-N 3.34Å
221	R	95.9	Very high	95.9	Very high	158 Å²	158	98 Å²	98	60%	0.596	49%	0.487	S	S	*	.	H	α-helix	trans	-62.8	-41.9	174.5	-80.3	177.4	-72.8	158.5	-7.9	112.1	S217 A218 L219 A224 T225	S217-R221 WeakPolarHBondContact O-CB 3.35Å; S217-R221 WeakPolarHBondContact O-CG 3.38Å; S217-R221 PolarHBondContact O-N 3.41Å; S217-R221 VanDerWaalsContact O-N 3.14Å; S217-R221 PolarHBondContact O-NE 3.36Å; S217-R221 PolarHBondContact OG-NH2 3.38Å; A218-R221 PolarHBondContact O-N 3.15Å; L219-R221 PolarHBondContact O-N 2.94Å; R221-A224 PolarHBondContact O-N 2.87Å; R221-T225 PolarHBondContact O-N 2.92Å; R221-T225 PolarHBondContact O-OG1 3.39Å
222	K	96.3	Very high	96	Very high	130 Å²	130	97.4 Å²	97.4	57%	0.565	48%	0.484	S	S	*	.	H	α-helix	trans	-69.6	-33.6	178.3	-175.1	168.9	178.6	177.2	0	112.9	A218 L219 T225 H226	A218-K222 WeakPolarHBondContact O-CB 3.43Å; A218-K222 PolarHBondContact O-N 2.81Å; L219-K222 PolarHBondContact O-N 3.36Å; K222-T225 WeakPolarHBondContact CA-OG1 3.3Å; K222-T225 PolarHBondContact O-OG1 2.7Å; K222-H226 WeakPolarHBondContact CE-NE2 3.28Å; K222-H226 PolarHBondContact O-CD2 3.45Å; K222-H226 PolarHBondContact O-N 3.26Å
223	A	94.6	Very high	96.1	Very high	40 Å²	40	97.6 Å²	97.6	33%	0.331	49%	0.489	S	S	.	.	H	α-helix	trans	-61.4	-55.5	170.7	0	0	0	0	0	110	L219 K220 T225 H226 D227	L219-A223 PolarHBondContact O-N 2.88Å; K220-A223 PolarHBondContact O-N 2.89Å; A223-T225 VanDerWaalsContact C-N 3.33Å; A223-T225 PolarHBondContact O-N 2.75Å; A223-H226 CarbonylContact O-C 3.46Å; A223-H226 WeakPolarHBondContact O-CA 3.39Å; A223-H226 PolarHBondContact O-N 3.23Å; A223-D227 VanDerWaalsContact O-CG 3.3Å; A223-D227 PolarHBondContact O-N 3.18Å
224	A	96.3	Very high	96.2	Very high	44 Å²	44	97.5 Å²	97.5	36%	0.364	49%	0.49	S	S	.	.	H	α-helix	trans	-53.6	-45.4	178.6	0	0	0	0	0	113	K220 R221 H226 D227 D228	K220-A224 PolarHBondContact O-N 3.34Å; R221-A224 PolarHBondContact O-N 2.87Å; A224-H226 VanDerWaalsContact C-N 3.28Å; A224-H226 PolarHBondContact O-N 3.05Å; A224-D227 PolarHBondContact O-N 3.15Å; A224-D228 WeakPolarHBondContact O-CB 3.31Å; A224-D228 PolarHBondContact O-N 2.88Å
225	T	96.2	Very high	96.3	Very high	69 Å²	69	98.7 Å²	98.7	42%	0.423	49%	0.493	S	S	.	.	H	α-helix	trans	-64	-30.4	176.7	51.2	0	0	0	0	113.7	R221 K222 A223 E229	R221-T225 PolarHBondContact O-N 2.92Å; R221-T225 PolarHBondContact O-OG1 3.39Å; K222-T225 WeakPolarHBondContact CA-OG1 3.3Å; K222-T225 PolarHBondContact O-OG1 2.7Å; A223-T225 VanDerWaalsContact C-N 3.33Å; A223-T225 PolarHBondContact O-N 2.75Å; T225-E229 WeakPolarHBondContact O-CB 3.41Å; T225-E229 WeakPolarHBondContact O-CG 3.33Å; T225-E229 PolarHBondContact O-N 3.39Å
226	H	96.1	Very high	96.4	Very high	77 Å²	77	97.3 Å²	97.3	36%	0.356	49%	0.485	S	S	.	.	H	α-helix	trans	-78.5	-34	174.6	-71.5	-38.8	0	0	0	112	K222 A223 A224 E229 I230	K222-H226 WeakPolarHBondContact CE-NE2 3.28Å; K222-H226 PolarHBondContact O-CD2 3.45Å; K222-H226 PolarHBondContact O-N 3.26Å; A223-H226 CarbonylContact O-C 3.46Å; A223-H226 WeakPolarHBondContact O-CA 3.39Å; A223-H226 PolarHBondContact O-N 3.23Å; A224-H226 VanDerWaalsContact C-N 3.28Å; A224-H226 PolarHBondContact O-N 3.05Å; H226-E229 IonicContact CE1-OE2 3.42Å; H226-E229 IonicContact CG-OE2 2.6Å; H226-E229 IonicContact ND1-OE2 3.16Å; H226-E229 PolarHBondContact ND1-OE2 2.91Å; H226-E229 PolarHBondContact O-N 3.34Å; H226-I230 WeakPolarHBondContact O-CB 3.46Å; H226-I230 WeakPolarHBondContact O-CD1 3.31Å; H226-I230 WeakPolarHBondContact O-CG1 3.12Å; H226-I230 PolarHBondContact O-N 3.3Å
227	D	95.5	Very high	96.4	Very high	101 Å²	101	97.8 Å²	97.8	54%	0.54	49%	0.489	S	S	.	.	H	α-helix	trans	-64.7	-41.5	172.4	-58.8	-38.8	0	0	0	110.3	A223 A224 I230 Q231	A223-D227 VanDerWaalsContact O-CG 3.3Å; A223-D227 PolarHBondContact O-N 3.18Å; A224-D227 PolarHBondContact O-N 3.15Å; D227-I230 PolarHBondContact O-N 3.08Å; D227-Q231 WeakPolarHBondContact O-CB 3.44Å; D227-Q231 PolarHBondContact O-N 2.89Å
228	D	96.7	Very high	96.4	Very high	111 Å²	111	102.2 Å²	102.2	59%	0.594	50%	0.504	S	S	*	.	H	α-helix	trans	-62.2	-45.8	172.5	-65.9	-31.9	0	0	0	112.2	A224 I230 Q231 H232	A224-D228 WeakPolarHBondContact O-CB 3.31Å; A224-D228 PolarHBondContact O-N 2.88Å; D228-I230 VanDerWaalsContact C-N 3.34Å; D228-I230 PolarHBondContact O-N 3.33Å; D228-Q231 PolarHBondContact O-N 3.43Å; D228-H232 PolarHBondContact O-N 3.25Å; D228-H232 VanDerWaalsContact O-N 3.07Å
229	E	97.4	Very high	96.4	Very high	111 Å²	111	104.6 Å²	104.6	52%	0.519	51%	0.508	S	S	.	.	H	α-helix	trans	-60.4	-41.5	175.4	-79.5	167.5	173.3	0	0	111.8	T225 H226 L233	T225-E229 WeakPolarHBondContact O-CB 3.41Å; T225-E229 WeakPolarHBondContact O-CG 3.33Å; T225-E229 PolarHBondContact O-N 3.39Å; H226-E229 IonicContact CE1-OE2 3.42Å; H226-E229 IonicContact CG-OE2 2.6Å; H226-E229 IonicContact ND1-OE2 3.16Å; H226-E229 PolarHBondContact ND1-OE2 2.91Å; H226-E229 PolarHBondContact O-N 3.34Å; E229-L233 WeakPolarHBondContact O-CG 3.5Å; E229-L233 PolarHBondContact O-N 3.08Å
230	I	96.7	Very high	96.4	Very high	86 Å²	86	104 Å²	104	44%	0.441	50%	0.501	S	S	.	.	H	α-helix	trans	-67	-43.8	177.8	-73.5	165.1	0	0	0	110.7	H226 D227 D228 L233 Y234	H226-I230 WeakPolarHBondContact O-CB 3.46Å; H226-I230 WeakPolarHBondContact O-CD1 3.31Å; H226-I230 WeakPolarHBondContact O-CG1 3.12Å; H226-I230 PolarHBondContact O-N 3.3Å; D227-I230 PolarHBondContact O-N 3.08Å; D228-I230 VanDerWaalsContact C-N 3.34Å; D228-I230 PolarHBondContact O-N 3.33Å; I230-L233 PolarHBondContact O-N 2.66Å; I230-Y234 HydrophobicContact CG2-CD2 3.72Å; I230-Y234 HydrophobicContact CG2-CE2 3.46Å; I230-Y234 VanDerWaalsContact CG2-CE2 3.46Å; I230-Y234 VanDerWaalsContact O-CD2 3.27Å; I230-Y234 WeakPolarHBondContact O-CD2 3.5Å; I230-Y234 PolarHBondContact O-N 2.84Å
231	Q	96.1	Very high	96.4	Very high	101 Å²	101	101 Å²	101	47%	0.472	49%	0.492	S	S	.	.	H	α-helix	trans	-60.1	-46.4	178.1	-178.6	60.7	28.3	0	0	111.7	D227 D228 L233 Y234 E235	D227-Q231 WeakPolarHBondContact O-CB 3.44Å; D227-Q231 PolarHBondContact O-N 2.89Å; D228-Q231 PolarHBondContact O-N 3.43Å; Q231-L233 VanDerWaalsContact C-N 3.29Å; Q231-L233 PolarHBondContact O-N 2.86Å; Q231-Y234 PolarHBondContact O-N 3.5Å; Q231-E235 WeakPolarHBondContact CG-OE1 3.42Å; Q231-E235 PolarHBondContact NE2-OE1 3.47Å; Q231-E235 WeakPolarHBondContact O-CG 3.5Å; Q231-E235 PolarHBondContact O-N 2.92Å
232	H	97.3	Very high	96.5	Very high	116 Å²	116	98.8 Å²	98.8	54%	0.537	49%	0.486	S	S	.	.	H	α-helix	trans	-59.8	-38.4	175.7	-177.4	-60.4	0	0	0	112.3	D228 E235 E236	D228-H232 PolarHBondContact O-N 3.25Å; D228-H232 VanDerWaalsContact O-N 3.07Å; H232-E235 PolarHBondContact O-N 3.37Å; H232-E236 IonicContact CE1-OE2 3.7Å; H232-E236 WeakPolarHBondContact O-CB 3.37Å; H232-E236 PolarHBondContact O-N 3.29Å
233	L	97.3	Very high	96.5	Very high	112 Å²	112	96.7 Å²	96.7	59%	0.586	48%	0.481	S	S	*	.	H	α-helix	trans	-68.5	-34.7	177.9	-72.9	169	0	0	0	112.6	E229 I230 Q231 M237	E229-L233 WeakPolarHBondContact O-CG 3.5Å; E229-L233 PolarHBondContact O-N 3.08Å; I230-L233 PolarHBondContact O-N 2.66Å; Q231-L233 VanDerWaalsContact C-N 3.29Å; Q231-L233 PolarHBondContact O-N 2.86Å; L233-M237 VanDerWaalsContact O-CB 3.27Å; L233-M237 WeakPolarHBondContact O-CB 3.48Å; L233-M237 PolarHBondContact O-N 3.14Å
234	Y	96.6	Very high	96.5	Very high	141 Å²	141	99.3 Å²	99.3	55%	0.553	49%	0.487	S	S	*	.	H	α-helix	trans	-66.4	-46.9	171.7	-80.3	-65.2	0	0	0	111.8	I230 Q231 E236 M237 E238	I230-Y234 HydrophobicContact CG2-CD2 3.72Å; I230-Y234 HydrophobicContact CG2-CE2 3.46Å; I230-Y234 VanDerWaalsContact CG2-CE2 3.46Å; I230-Y234 VanDerWaalsContact O-CD2 3.27Å; I230-Y234 WeakPolarHBondContact O-CD2 3.5Å; I230-Y234 PolarHBondContact O-N 2.84Å; Q231-Y234 PolarHBondContact O-N 3.5Å; Y234-E236 PolarHBondContact O-N 2.97Å; Y234-M237 HydrophobicContact CD1-CE 3.67Å; Y234-M237 HydrophobicContact CE1-CE 3.98Å; Y234-M237 PolarHBondContact O-N 3.01Å; Y234-E238 WeakPolarHBondContact O-CB 3.23Å; Y234-E238 PolarHBondContact O-N 3.06Å
235	E	97.4	Very high	96.4	Very high	107 Å²	107	102.1 Å²	102.1	50%	0.5	49%	0.491	S	S	.	.	H	α-helix	trans	-61.5	-41.1	178.7	-70.9	173.5	-164.9	0	0	112.3	Q231 H232 Q239	Q231-E235 WeakPolarHBondContact CG-OE1 3.42Å; Q231-E235 PolarHBondContact NE2-OE1 3.47Å; Q231-E235 WeakPolarHBondContact O-CG 3.5Å; Q231-E235 PolarHBondContact O-N 2.92Å; H232-E235 PolarHBondContact O-N 3.37Å; E235-Q239 WeakPolarHBondContact O-CB 3.4Å; E235-Q239 PolarHBondContact O-N 3.27Å; E235-Q239 VanDerWaalsContact O-N 3.08Å
236	E	97.4	Very high	96.4	Very high	96 Å²	96	103.1 Å²	103.1	45%	0.449	49%	0.493	S	S	.	.	H	α-helix	trans	-66.1	-42.5	174.8	-168.7	-178.6	160	0	0	111.8	H232 Y234 Q239 Q240	H232-E236 IonicContact CE1-OE2 3.7Å; H232-E236 WeakPolarHBondContact O-CB 3.37Å; H232-E236 PolarHBondContact O-N 3.29Å; Y234-E236 PolarHBondContact O-N 2.97Å; E236-Q239 PolarHBondContact O-N 3Å; E236-Q240 WeakPolarHBondContact O-CG 3.08Å; E236-Q240 PolarHBondContact O-N 2.78Å; E236-Q240 PolarHBondContact OE1-NE2 3.2Å
237	M	96.4	Very high	96.4	Very high	94 Å²	94	103.9 Å²	103.9	46%	0.463	50%	0.496	S	S	.	.	H	α-helix	trans	-64.8	-44	177.8	-178.3	177.5	64.6	0	0	112	L233 Y234 Q239 Q240 I241	L233-M237 VanDerWaalsContact O-CB 3.27Å; L233-M237 WeakPolarHBondContact O-CB 3.48Å; L233-M237 PolarHBondContact O-N 3.14Å; Y234-M237 HydrophobicContact CD1-CE 3.67Å; Y234-M237 HydrophobicContact CE1-CE 3.98Å; Y234-M237 PolarHBondContact O-N 3.01Å; M237-Q239 VanDerWaalsContact C-N 3.34Å; M237-Q239 PolarHBondContact O-N 2.87Å; M237-Q240 PolarHBondContact O-N 2.76Å; M237-I241 HydrophobicContact CG-CD1 3.9Å; M237-I241 VanDerWaalsContact O-CG1 3.3Å; M237-I241 WeakPolarHBondContact O-CG1 3.33Å; M237-I241 PolarHBondContact O-N 3.34Å
238	E	95.3	Very high	96.3	Very high	135 Å²	135	103.5 Å²	103.5	63%	0.631	49%	0.493	S	S	*	.	H	α-helix	trans	-61.3	-44.1	177	-167.2	-167.7	150.7	0	0	110.8	Y234 Q240 I241 K242	Y234-E238 WeakPolarHBondContact O-CB 3.23Å; Y234-E238 PolarHBondContact O-N 3.06Å; E238-Q240 VanDerWaalsContact C-N 3.35Å; E238-Q240 PolarHBondContact O-N 3.19Å; E238-I241 PolarHBondContact O-N 3.21Å; E238-K242 WeakPolarHBondContact O-CB 3.42Å; E238-K242 PolarHBondContact O-N 3.35Å
239	Q	96.7	Very high	96.3	Very high	97 Å²	97	103.9 Å²	103.9	45%	0.453	49%	0.494	S	S	.	.	H	α-helix	trans	-66	-34.7	177	-172	59.8	73.8	0	0	112.5	E235 E236 M237 N243	E235-Q239 WeakPolarHBondContact O-CB 3.4Å; E235-Q239 PolarHBondContact O-N 3.27Å; E235-Q239 VanDerWaalsContact O-N 3.08Å; E236-Q239 PolarHBondContact O-N 3Å; M237-Q239 VanDerWaalsContact C-N 3.34Å; M237-Q239 PolarHBondContact O-N 2.87Å; Q239-N243 PolarHBondContact NE2-OD1 2.96Å; Q239-N243 WeakPolarHBondContact O-CB 3.5Å; Q239-N243 PolarHBondContact O-N 2.93Å; Q239-N243 PolarHBondContact O-ND2 2.82Å; Q239-N243 PolarHBondContact O-OD1 3.05Å
240	Q	97.2	Very high	96.3	Very high	114 Å²	114	104 Å²	104	53%	0.533	50%	0.498	S	S	.	.	H	α-helix	trans	-66.3	-45.7	171.3	-73.2	-177.2	29.7	0	0	111.9	E236 M237 E238 K242 N243 E244	E236-Q240 WeakPolarHBondContact O-CG 3.08Å; E236-Q240 PolarHBondContact O-N 2.78Å; E236-Q240 PolarHBondContact OE1-NE2 3.2Å; M237-Q240 PolarHBondContact O-N 2.76Å; E238-Q240 VanDerWaalsContact C-N 3.35Å; E238-Q240 PolarHBondContact O-N 3.19Å; Q240-K242 VanDerWaalsContact C-N 3.3Å; Q240-K242 PolarHBondContact O-N 3.07Å; Q240-N243 PolarHBondContact O-N 3.38Å; Q240-E244 PolarHBondContact O-N 3.3Å
241	I	95.6	Very high	96.2	Very high	82 Å²	82	104.9 Å²	104.9	42%	0.421	50%	0.5	S	S	.	.	H	α-helix	trans	-57.7	-45	175.8	-72.1	165.7	0	0	0	110.2	M237 E238 E244 K245	M237-I241 HydrophobicContact CG-CD1 3.9Å; M237-I241 VanDerWaalsContact O-CG1 3.3Å; M237-I241 WeakPolarHBondContact O-CG1 3.33Å; M237-I241 PolarHBondContact O-N 3.34Å; E238-I241 PolarHBondContact O-N 3.21Å; I241-E244 PolarHBondContact O-N 3.21Å; I241-K245 HydrophobicContact CG2-CD 3.92Å; I241-K245 HydrophobicContact CG2-CG 4.22Å; I241-K245 WeakPolarHBondContact O-CB 3.38Å; I241-K245 WeakPolarHBondContact O-CG 3.42Å; I241-K245 PolarHBondContact O-N 2.89Å
242	K	96.4	Very high	96	Very high	111 Å²	111	103.6 Å²	103.6	48%	0.483	50%	0.496	S	S	.	.	H	α-helix	trans	-61.2	-48.5	176.9	-173.5	170.7	-174.6	168.8	0	112.4	E238 Q240 E244 K245 D246	E238-K242 WeakPolarHBondContact O-CB 3.42Å; E238-K242 PolarHBondContact O-N 3.35Å; Q240-K242 VanDerWaalsContact C-N 3.3Å; Q240-K242 PolarHBondContact O-N 3.07Å; K242-E244 VanDerWaalsContact C-N 3.3Å; K242-E244 PolarHBondContact O-N 2.8Å; K242-K245 PolarHBondContact O-N 2.94Å; K242-D246 PolarHBondContact O-N 3.22Å
243	N	96.5	Very high	96	Very high	86 Å²	86	104.7 Å²	104.7	46%	0.46	50%	0.497	S	S	.	.	H	α-helix	trans	-60.3	-38.3	179.4	-69	-14.1	0	0	0	112.4	Q239 Q240 K247	Q239-N243 PolarHBondContact NE2-OD1 2.96Å; Q239-N243 WeakPolarHBondContact O-CB 3.5Å; Q239-N243 PolarHBondContact O-N 2.93Å; Q239-N243 PolarHBondContact O-ND2 2.82Å; Q239-N243 PolarHBondContact O-OD1 3.05Å; Q240-N243 PolarHBondContact O-N 3.38Å; N243-K247 WeakPolarHBondContact O-CB 3.27Å; N243-K247 PolarHBondContact O-N 3.08Å; N243-K247 VanDerWaalsContact O-N 3.14Å
244	E	95.2	Very high	95.9	Very high	95 Å²	95	103.6 Å²	103.6	44%	0.444	49%	0.491	S	S	.	.	H	α-helix	trans	-78.2	-35.9	175.6	-69.7	-66.7	142	0	0	112.7	Q240 I241 K242 D246 K247 I248	Q240-E244 PolarHBondContact O-N 3.3Å; I241-E244 PolarHBondContact O-N 3.21Å; K242-E244 VanDerWaalsContact C-N 3.3Å; K242-E244 PolarHBondContact O-N 2.8Å; E244-D246 PolarHBondContact O-N 2.81Å; E244-K247 PolarHBondContact O-N 3.02Å; E244-K247 WeakPolarHBondContact OE1-CD 3.23Å; E244-K247 IonicContact OE1-NZ 2.73Å; E244-K247 PolarHBondContact OE1-NZ 2.9Å; E244-K247 IonicContact OE2-NZ 3.53Å; E244-K247 PolarHBondContact OE2-NZ 3.27Å; E244-I248 WeakPolarHBondContact O-CB 3.31Å; E244-I248 VanDerWaalsContact O-CG1 3.27Å; E244-I248 WeakPolarHBondContact O-CG1 3.27Å; E244-I248 PolarHBondContact O-N 2.91Å
245	K	94.9	Very high	95.8	Very high	103 Å²	103	104 Å²	104	45%	0.448	49%	0.492	S	S	.	.	H	α-helix	trans	-54.1	-51.4	169.4	-80	178.4	175.7	-179.9	0	109.8	E30 I241 K242 K247 I248 L249	E30-K245 IonicContact OE1-NZ 2.7Å; E30-K245 PolarHBondContact OE1-NZ 3.44Å; I241-K245 HydrophobicContact CG2-CD 3.92Å; I241-K245 HydrophobicContact CG2-CG 4.22Å; I241-K245 WeakPolarHBondContact O-CB 3.38Å; I241-K245 WeakPolarHBondContact O-CG 3.42Å; I241-K245 PolarHBondContact O-N 2.89Å; K242-K245 PolarHBondContact O-N 2.94Å; K245-K247 PolarHBondContact O-N 3.21Å; K245-I248 PolarHBondContact O-N 3.07Å; K245-L249 WeakPolarHBondContact O-CG 3.32Å; K245-L249 PolarHBondContact O-N 2.84Å
246	D	94.8	Very high	95.7	Very high	89 Å²	89	106.5 Å²	106.5	48%	0.476	50%	0.498	S	S	.	.	H	α-helix	trans	-63.5	-41.1	179.6	-71.6	-20.3	0	0	0	112.9	K242 E244 L249 L250	K242-D246 PolarHBondContact O-N 3.22Å; E244-D246 PolarHBondContact O-N 2.81Å; D246-L249 PolarHBondContact O-N 3.09Å; D246-L250 PolarHBondContact O-N 3.34Å
247	K	96.3	Very high	95.7	Very high	94 Å²	94	106.1 Å²	106.1	41%	0.409	50%	0.498	S	S	.	.	H	α-helix	trans	-67.1	-36.7	178.4	173.7	179.6	159.7	-139.3	0	112.8	N243 E244 K245 Q251	N243-K247 WeakPolarHBondContact O-CB 3.27Å; N243-K247 PolarHBondContact O-N 3.08Å; N243-K247 VanDerWaalsContact O-N 3.14Å; E244-K247 PolarHBondContact O-N 3.02Å; E244-K247 WeakPolarHBondContact OE1-CD 3.23Å; E244-K247 IonicContact OE1-NZ 2.73Å; E244-K247 PolarHBondContact OE1-NZ 2.9Å; E244-K247 IonicContact OE2-NZ 3.53Å; E244-K247 PolarHBondContact OE2-NZ 3.27Å; K245-K247 PolarHBondContact O-N 3.21Å; K247-Q251 WeakPolarHBondContact O-CG 3.35Å; K247-Q251 PolarHBondContact O-N 3.45Å
248	I	94.9	Very high	95.7	Very high	93 Å²	93	105 Å²	105	48%	0.477	50%	0.499	S	S	.	.	H	α-helix	trans	-67.4	-46.6	173.3	-69.9	165	0	0	0	110	E244 K245 L250 Q251 D252	E244-I248 WeakPolarHBondContact O-CB 3.31Å; E244-I248 VanDerWaalsContact O-CG1 3.27Å; E244-I248 WeakPolarHBondContact O-CG1 3.27Å; E244-I248 PolarHBondContact O-N 2.91Å; K245-I248 PolarHBondContact O-N 3.07Å; I248-L250 VanDerWaalsContact C-N 3.3Å; I248-L250 PolarHBondContact O-N 3.3Å; I248-Q251 PolarHBondContact O-N 3.02Å; I248-Q251 VanDerWaalsContact O-N 3.14Å; I248-D252 PolarHBondContact O-N 3.21Å
249	L	96.1	Very high	95.7	Very high	118 Å²	118	107 Å²	107	62%	0.618	50%	0.502	S	S	*	.	H	α-helix	trans	-55.3	-43	176.5	-75.9	167.9	0	0	0	112.3	K245 D246 D252 Y253	K245-L249 WeakPolarHBondContact O-CG 3.32Å; K245-L249 PolarHBondContact O-N 2.84Å; D246-L249 PolarHBondContact O-N 3.09Å; L249-D252 PolarHBondContact O-N 2.83Å; L249-Y253 WeakPolarHBondContact O-CB 3.18Å; L249-Y253 PolarHBondContact O-N 2.83Å
250	L	96.4	Very high	95.6	Very high	115 Å²	115	104.2 Å²	104.2	60%	0.602	49%	0.493	S	S	*	.	H	α-helix	trans	-66.3	-40.9	177.6	-167.6	67.9	0	0	0	112.4	D246 I248 Y253 D254	D246-L250 PolarHBondContact O-N 3.34Å; I248-L250 VanDerWaalsContact C-N 3.3Å; I248-L250 PolarHBondContact O-N 3.3Å; L250-Y253 PolarHBondContact O-N 3Å; L250-D254 PolarHBondContact O-N 3.36Å
251	Q	95.8	Very high	95.6	Very high	103 Å²	103	105.1 Å²	105.1	48%	0.481	50%	0.495	S	S	.	.	H	α-helix	trans	-66.9	-37.5	176.7	-73	-177.8	17.4	0	0	113	K247 I248 R255	K247-Q251 WeakPolarHBondContact O-CG 3.35Å; K247-Q251 PolarHBondContact O-N 3.45Å; I248-Q251 PolarHBondContact O-N 3.02Å; I248-Q251 VanDerWaalsContact O-N 3.14Å; Q251-R255 VanDerWaalsContact O-CB 3.26Å; Q251-R255 WeakPolarHBondContact O-CB 3.44Å; Q251-R255 PolarHBondContact O-N 2.91Å
252	D	92.1	Very high	95.7	Very high	74 Å²	74	105.7 Å²	105.7	40%	0.396	50%	0.498	S	S	.	.	H	α-helix	trans	-73	-32.3	175.5	-82.9	-28.2	0	0	0	112.1	I248 L249 R255 Y256	I248-D252 PolarHBondContact O-N 3.21Å; L249-D252 PolarHBondContact O-N 2.83Å; D252-R255 PolarHBondContact O-N 3.19Å; D252-R255 IonicContact OD1-CZ 3.7Å; D252-R255 IonicContact OD1-NE 3.01Å; D252-R255 IonicContact OD1-NH1 2.78Å; D252-R255 PolarHBondContact OD1-NH1 3.24Å; D252-R255 IonicContact OD1-NH2 3.69Å; D252-Y256 VanDerWaalsContact O-CB 3.25Å; D252-Y256 WeakPolarHBondContact O-CB 3.26Å; D252-Y256 PolarHBondContact O-N 3.3Å
253	Y	95.8	Very high	95.6	Very high	140 Å²	140	104.4 Å²	104.4	55%	0.549	50%	0.497	S	S	.	.	H	α-helix	trans	-62.6	-50.2	170.3	-176.6	-93.5	0	0	0	112.1	L249 L250 R255 Y256 L257	L249-Y253 WeakPolarHBondContact O-CB 3.18Å; L249-Y253 PolarHBondContact O-N 2.83Å; L250-Y253 PolarHBondContact O-N 3Å; Y253-R255 VanDerWaalsContact C-N 3.31Å; Y253-R255 PolarHBondContact O-N 2.96Å; Y253-Y256 WeakPolarHBondContact O-CB 3.42Å; Y253-Y256 PolarHBondContact O-N 3.44Å; Y253-L257 HydrophobicContact CE1-CD1 4.49Å; Y253-L257 WeakPolarHBondContact O-CB 3.31Å; Y253-L257 PolarHBondContact O-N 2.59Å
254	D	96	Very high	95.6	Very high	89 Å²	89	105.6 Å²	105.6	48%	0.476	50%	0.499	S	S	.	.	H	α-helix	trans	-62.8	-37.3	177.6	-82.5	-12.1	0	0	0	112.2	L250 L257 S258	L250-D254 PolarHBondContact O-N 3.36Å; D254-L257 PolarHBondContact O-N 3.38Å; D254-S258 WeakPolarHBondContact O-CB 3.35Å; D254-S258 PolarHBondContact O-N 2.92Å; D254-S258 PolarHBondContact O-OG 3.38Å
255	R	95.4	Very high	95.7	Very high	150 Å²	150	106.4 Å²	106.4	57%	0.566	51%	0.506	S	S	*	.	H	α-helix	trans	-66.7	-40.9	174.9	-170.1	-174.1	-56.5	151.1	5	111.8	Q251 D252 Y253 R259	Q251-R255 VanDerWaalsContact O-CB 3.26Å; Q251-R255 WeakPolarHBondContact O-CB 3.44Å; Q251-R255 PolarHBondContact O-N 2.91Å; D252-R255 PolarHBondContact O-N 3.19Å; D252-R255 IonicContact OD1-CZ 3.7Å; D252-R255 IonicContact OD1-NE 3.01Å; D252-R255 IonicContact OD1-NH1 2.78Å; D252-R255 PolarHBondContact OD1-NH1 3.24Å; D252-R255 IonicContact OD1-NH2 3.69Å; Y253-R255 VanDerWaalsContact C-N 3.31Å; Y253-R255 PolarHBondContact O-N 2.96Å; R255-R259 VanDerWaalsContact O-CB 3.32Å; R255-R259 WeakPolarHBondContact O-CB 3.26Å; R255-R259 PolarHBondContact O-N 3.34Å
256	Y	94.9	Very high	95.8	Very high	159 Å²	159	107.4 Å²	107.4	62%	0.624	51%	0.512	S	S	*	.	H	α-helix	trans	-63.1	-48.9	173.7	174	-91.7	0	0	0	111.1	D252 Y253 S258 R259 S260	D252-Y256 VanDerWaalsContact O-CB 3.25Å; D252-Y256 WeakPolarHBondContact O-CB 3.26Å; D252-Y256 PolarHBondContact O-N 3.3Å; Y253-Y256 WeakPolarHBondContact O-CB 3.42Å; Y253-Y256 PolarHBondContact O-N 3.44Å; Y256-S258 PolarHBondContact O-N 3.16Å; Y256-R259 PolarHBondContact O-N 2.98Å; Y256-S260 PolarHBondContact O-N 3.21Å
257	L	97.3	Very high	95.9	Very high	88 Å²	88	108.4 Å²	108.4	46%	0.461	52%	0.517	S	S	.	.	H	α-helix	trans	-61.1	-44.3	-178.8	-159.4	81	0	0	0	111.6	Y253 D254 S260 K261	Y253-L257 HydrophobicContact CE1-CD1 4.49Å; Y253-L257 WeakPolarHBondContact O-CB 3.31Å; Y253-L257 PolarHBondContact O-N 2.59Å; D254-L257 PolarHBondContact O-N 3.38Å; L257-S260 PolarHBondContact O-N 2.84Å; L257-K261 PolarHBondContact O-N 3.49Å; L257-K261 VanDerWaalsContact O-N 3.12Å
258	S	95.6	Very high	96	Very high	69 Å²	69	105.9 Å²	105.9	48%	0.483	51%	0.511	S	S	.	.	H	α-helix	trans	-60.1	-47.4	174.8	-57.3	0	0	0	0	111.4	D254 Y256 S260 K261 D262	D254-S258 WeakPolarHBondContact O-CB 3.35Å; D254-S258 PolarHBondContact O-N 2.92Å; D254-S258 PolarHBondContact O-OG 3.38Å; Y256-S258 PolarHBondContact O-N 3.16Å; S258-S260 PolarHBondContact O-N 3.02Å; S258-K261 PolarHBondContact O-N 2.94Å; S258-D262 PolarHBondContact O-N 2.83Å
259	R	95.4	Very high	96.1	Very high	179 Å²	179	104.2 Å²	104.2	68%	0.675	51%	0.508	S	S	*	.	H	α-helix	trans	-67.4	-34.3	179.7	-170.5	176.3	-175.8	176	2.2	113.1	R255 Y256 L263	R255-R259 VanDerWaalsContact O-CB 3.32Å; R255-R259 WeakPolarHBondContact O-CB 3.26Å; R255-R259 PolarHBondContact O-N 3.34Å; Y256-R259 PolarHBondContact O-N 2.98Å; R259-L263 HydrophobicContact CG-CD1 4.31Å; R259-L263 WeakPolarHBondContact O-CB 3.4Å; R259-L263 VanDerWaalsContact O-CG 3.27Å; R259-L263 WeakPolarHBondContact O-CG 3.36Å; R259-L263 PolarHBondContact O-N 2.91Å
260	S	95.4	Very high	96.1	Very high	38 Å²	38	104 Å²	104	27%	0.266	50%	0.502	S	S	.	.	H	α-helix	trans	-61	-49	172.8	-167.4	0	0	0	0	110.4	Y256 L257 S258 D262 L263 E264	Y256-S260 PolarHBondContact O-N 3.21Å; L257-S260 PolarHBondContact O-N 2.84Å; S258-S260 PolarHBondContact O-N 3.02Å; S260-D262 PolarHBondContact O-N 3.38Å; S260-L263 WeakPolarHBondContact O-CB 3.4Å; S260-L263 PolarHBondContact O-N 2.83Å; S260-L263 VanDerWaalsContact O-N 3.13Å; S260-E264 WeakPolarHBondContact O-CG 3.41Å; S260-E264 PolarHBondContact O-N 3.03Å; S260-E264 PolarHBondContact OG-OE1 2.95Å
261	K	97.6	Very high	96.2	Very high	133 Å²	133	104.3 Å²	104.3	58%	0.578	50%	0.501	S	S	*	.	H	α-helix	trans	-62.6	-39.7	179.2	-172.8	177.5	180	179.9	0	113	L257 S258 L263 E264 L265	L257-K261 PolarHBondContact O-N 3.49Å; L257-K261 VanDerWaalsContact O-N 3.12Å; S258-K261 PolarHBondContact O-N 2.94Å; K261-L263 VanDerWaalsContact C-N 3.34Å; K261-E264 PolarHBondContact O-N 2.76Å; K261-L265 WeakPolarHBondContact O-CG 3.48Å; K261-L265 PolarHBondContact O-N 3.1Å
262	D	96.2	Very high	96.2	Very high	93 Å²	93	105.2 Å²	105.2	50%	0.497	50%	0.503	S	S	.	.	H	α-helix	trans	-64.7	-38.5	174.3	-72.8	-20	0	0	0	111.8	S258 S260 L265 Q266	S258-D262 PolarHBondContact O-N 2.83Å; S260-D262 PolarHBondContact O-N 3.38Å; D262-L265 PolarHBondContact O-N 3.18Å; D262-Q266 WeakPolarHBondContact O-CG 3.4Å; D262-Q266 PolarHBondContact O-N 3.14Å
263	L	94.9	Very high	96.5	Very high	85 Å²	85	105.2 Å²	105.2	45%	0.445	50%	0.5	S	S	.	.	H	α-helix	trans	-68.6	-41	175.2	-72.5	168.1	0	0	0	112.1	R259 S260 K261 L265 Q266 L267	R259-L263 HydrophobicContact CG-CD1 4.31Å; R259-L263 WeakPolarHBondContact O-CB 3.4Å; R259-L263 VanDerWaalsContact O-CG 3.27Å; R259-L263 WeakPolarHBondContact O-CG 3.36Å; R259-L263 PolarHBondContact O-N 2.91Å; S260-L263 WeakPolarHBondContact O-CB 3.4Å; S260-L263 PolarHBondContact O-N 2.83Å; S260-L263 VanDerWaalsContact O-N 3.13Å; K261-L263 VanDerWaalsContact C-N 3.34Å; L263-L265 VanDerWaalsContact C-N 3.34Å; L263-L265 PolarHBondContact O-N 3.05Å; L263-Q266 PolarHBondContact O-N 3.29Å; L263-L267 WeakPolarHBondContact O-CB 3.49Å; L263-L267 VanDerWaalsContact O-CG 3.3Å; L263-L267 WeakPolarHBondContact O-CG 3.46Å; L263-L267 PolarHBondContact O-N 2.92Å
264	E	96.6	Very high	96.5	Very high	111 Å²	111	103.1 Å²	103.1	52%	0.519	50%	0.498	S	S	.	.	H	α-helix	trans	-60	-41.8	173.4	-72.9	160.2	-141.5	0	0	111.8	S260 K261 L267 S268	S260-E264 WeakPolarHBondContact O-CG 3.41Å; S260-E264 PolarHBondContact O-N 3.03Å; S260-E264 PolarHBondContact OG-OE1 2.95Å; K261-E264 PolarHBondContact O-N 2.76Å; E264-L267 PolarHBondContact O-N 3.45Å; E264-S268 WeakPolarHBondContact O-CB 3.48Å; E264-S268 PolarHBondContact O-N 3.4Å
265	L	97.4	Very high	96.6	Very high	111 Å²	111	103.6 Å²	103.6	58%	0.581	50%	0.497	S	S	*	.	H	α-helix	trans	-65.4	-40.5	174.6	-73.4	169.6	0	0	0	112.2	K261 D262 L263 S269	K261-L265 WeakPolarHBondContact O-CG 3.48Å; K261-L265 PolarHBondContact O-N 3.1Å; D262-L265 PolarHBondContact O-N 3.18Å; L263-L265 VanDerWaalsContact C-N 3.34Å; L263-L265 PolarHBondContact O-N 3.05Å; L265-S269 PolarHBondContact O-N 3.49Å
266	Q	97.3	Very high	96.7	Very high	125 Å²	125	102.8 Å²	102.8	58%	0.584	50%	0.5	S	S	*	.	H	α-helix	trans	-66.1	-42.5	174.9	-73.6	178.3	18.4	0	0	112.2	D262 L263 S269 K270	D262-Q266 WeakPolarHBondContact O-CG 3.4Å; D262-Q266 PolarHBondContact O-N 3.14Å; L263-Q266 PolarHBondContact O-N 3.29Å; Q266-S269 WeakPolarHBondContact O-CB 3.3Å; Q266-S269 PolarHBondContact O-N 2.78Å; Q266-K270 WeakPolarHBondContact O-CG 3.35Å; Q266-K270 PolarHBondContact O-N 3.45Å
267	L	96.5	Very high	96.8	Very high	109 Å²	109	100.3 Å²	100.3	57%	0.571	50%	0.497	S	S	*	.	H	α-helix	trans	-60.1	-49.6	174.4	-73.5	168.7	0	0	0	110.6	L263 E264 S269 K270 E271	L263-L267 WeakPolarHBondContact O-CB 3.49Å; L263-L267 VanDerWaalsContact O-CG 3.3Å; L263-L267 WeakPolarHBondContact O-CG 3.46Å; L263-L267 PolarHBondContact O-N 2.92Å; E264-L267 PolarHBondContact O-N 3.45Å; L267-S269 PolarHBondContact O-N 3.1Å; L267-K270 CarbonylContact O-C 3.59Å; L267-K270 PolarHBondContact O-N 3.09Å; L267-E271 WeakPolarHBondContact O-CG 3.42Å; L267-E271 PolarHBondContact O-N 3.05Å
268	S	97.9	Very high	96.8	Very high	41 Å²	41	102 Å²	102	29%	0.287	50%	0.501	S	S	.	.	H	α-helix	trans	-65.1	-21.2	177.5	-166	0	0	0	0	114.1	E264 K272	E264-S268 WeakPolarHBondContact O-CB 3.48Å; E264-S268 PolarHBondContact O-N 3.4Å; S268-K272 VanDerWaalsContact O-CD 3.24Å; S268-K272 WeakPolarHBondContact O-CD 3.48Å; S268-K272 WeakPolarHBondContact O-CE 3.37Å; S268-K272 VanDerWaalsContact O-CG 3.29Å; S268-K272 WeakPolarHBondContact O-CG 3.29Å; S268-K272 PolarHBondContact O-NZ 3.15Å; S268-K272 VanDerWaalsContact O-NZ 3.08Å; S268-K272 PolarHBondContact OG-NZ 3.35Å
269	S	97.4	Very high	96.9	Very high	59 Å²	59	102.8 Å²	102.8	41%	0.413	50%	0.497	S	S	.	.	H	α-helix	trans	-73.6	-46.3	167.4	-170.2	0	0	0	0	111.1	L265 Q266 L267 K272 E273	L265-S269 PolarHBondContact O-N 3.49Å; Q266-S269 WeakPolarHBondContact O-CB 3.3Å; Q266-S269 PolarHBondContact O-N 2.78Å; L267-S269 PolarHBondContact O-N 3.1Å; S269-K272 PolarHBondContact O-N 3.33Å; S269-E273 WeakPolarHBondContact O-CG 3.35Å; S269-E273 PolarHBondContact O-N 3.32Å; S269-E273 PolarHBondContact OG-OE1 3.24Å
270	K	96.8	Very high	97	Very high	112 Å²	112	100.4 Å²	100.4	49%	0.487	49%	0.492	S	S	.	.	H	α-helix	trans	-69.3	-33.6	-178.1	-68.1	-69.1	168.5	-134.1	0	113.3	Q266 L267 K272 E273 L274	Q266-K270 WeakPolarHBondContact O-CG 3.35Å; Q266-K270 PolarHBondContact O-N 3.45Å; L267-K270 CarbonylContact O-C 3.59Å; L267-K270 PolarHBondContact O-N 3.09Å; K270-K272 VanDerWaalsContact C-N 3.32Å; K270-K272 PolarHBondContact O-N 3.29Å; K270-E273 IonicContact NZ-OE1 2.71Å; K270-E273 PolarHBondContact NZ-OE1 3.43Å; K270-E273 IonicContact NZ-OE2 2.77Å; K270-E273 PolarHBondContact NZ-OE2 3.12Å; K270-E273 PolarHBondContact O-N 3.44Å; K270-L274 WeakPolarHBondContact O-CB 3.18Å; K270-L274 VanDerWaalsContact O-CG 3.32Å; K270-L274 WeakPolarHBondContact O-CG 3.33Å; K270-L274 PolarHBondContact O-N 3.33Å
271	E	96.9	Very high	97	Very high	123 Å²	123	103.1 Å²	103.1	58%	0.575	50%	0.5	S	S	*	.	H	α-helix	trans	-59.1	-42.3	169.7	-71.5	169.8	163.1	0	0	111.8	L267 L274 E275	L267-E271 WeakPolarHBondContact O-CG 3.42Å; L267-E271 PolarHBondContact O-N 3.05Å; E271-L274 PolarHBondContact O-N 2.81Å; E271-E275 WeakPolarHBondContact O-CB 3.18Å; E271-E275 PolarHBondContact O-N 2.62Å
272	K	97.8	Very high	97	Very high	121 Å²	121	105.6 Å²	105.6	53%	0.526	51%	0.506	S	S	.	.	H	α-helix	trans	-69.5	-36.7	177.2	-69	167.4	-171.2	123.3	0	112.5	S268 S269 K270 Q276	S268-K272 VanDerWaalsContact O-CD 3.24Å; S268-K272 WeakPolarHBondContact O-CD 3.48Å; S268-K272 WeakPolarHBondContact O-CE 3.37Å; S268-K272 VanDerWaalsContact O-CG 3.29Å; S268-K272 WeakPolarHBondContact O-CG 3.29Å; S268-K272 PolarHBondContact O-NZ 3.15Å; S268-K272 VanDerWaalsContact O-NZ 3.08Å; S268-K272 PolarHBondContact OG-NZ 3.35Å; S269-K272 PolarHBondContact O-N 3.33Å; K270-K272 VanDerWaalsContact C-N 3.32Å; K270-K272 PolarHBondContact O-N 3.29Å; K272-Q276 VanDerWaalsContact O-CG 3.28Å; K272-Q276 WeakPolarHBondContact O-CG 3.37Å; K272-Q276 PolarHBondContact O-N 3.4Å; K272-Q276 VanDerWaalsContact O-N 3.08Å
273	E	97.8	Very high	97.1	Very high	74 Å²	74	109 Å²	109	35%	0.346	51%	0.512	S	S	.	.	H	α-helix	trans	-63.6	-43.4	172.1	-70.6	169.4	-130	0	0	111.4	S269 K270 Q276 L277	S269-E273 WeakPolarHBondContact O-CG 3.35Å; S269-E273 PolarHBondContact O-N 3.32Å; S269-E273 PolarHBondContact OG-OE1 3.24Å; K270-E273 IonicContact NZ-OE1 2.71Å; K270-E273 PolarHBondContact NZ-OE1 3.43Å; K270-E273 IonicContact NZ-OE2 2.77Å; K270-E273 PolarHBondContact NZ-OE2 3.12Å; K270-E273 PolarHBondContact O-N 3.44Å; E273-Q276 PolarHBondContact O-N 3.48Å; E273-L277 WeakPolarHBondContact O-CG 3.47Å; E273-L277 PolarHBondContact O-N 2.84Å
274	L	96.2	Very high	97.1	Very high	96 Å²	96	109.2 Å²	109.2	50%	0.503	51%	0.513	S	S	.	.	H	α-helix	trans	-64.1	-44.5	176.6	-73.1	169.9	0	0	0	112.2	K270 E271 Q276 L277 F278	K270-L274 WeakPolarHBondContact O-CB 3.18Å; K270-L274 VanDerWaalsContact O-CG 3.32Å; K270-L274 WeakPolarHBondContact O-CG 3.33Å; K270-L274 PolarHBondContact O-N 3.33Å; E271-L274 PolarHBondContact O-N 2.81Å; L274-Q276 VanDerWaalsContact C-N 3.33Å; L274-Q276 PolarHBondContact O-N 3.36Å; L274-L277 WeakPolarHBondContact O-CB 3.37Å; L274-L277 PolarHBondContact O-N 3.2Å; L274-L277 VanDerWaalsContact O-N 3.11Å; L274-F278 VanDerWaalsContact O-CD2 3.24Å; L274-F278 WeakPolarHBondContact O-CD2 3.42Å; L274-F278 PolarHBondContact O-N 3.31Å
275	E	97.4	Very high	97.2	Very high	99 Å²	99	107.9 Å²	107.9	46%	0.463	51%	0.507	S	S	.	.	H	α-helix	trans	-60.1	-41.8	175.6	178.1	55.9	-148.8	0	0	111.7	E271 L277 F278 Q279	E271-E275 WeakPolarHBondContact O-CB 3.18Å; E271-E275 PolarHBondContact O-N 2.62Å; E275-L277 VanDerWaalsContact C-N 3.33Å; E275-L277 PolarHBondContact O-N 3.28Å; E275-F278 PolarHBondContact O-N 2.85Å; E275-Q279 WeakPolarHBondContact O-CG 3.34Å; E275-Q279 PolarHBondContact O-N 3.32Å; E275-Q279 WeakPolarHBondContact OE1-CG 3.29Å; E275-Q279 PolarHBondContact OE1-NE2 2.91Å
276	Q	97.9	Very high	97.1	Very high	133 Å²	133	105.5 Å²	105.5	62%	0.621	50%	0.499	S	S	*	.	H	α-helix	trans	-62.6	-37.8	173.6	-72.5	173.7	22.9	0	0	112.6	K272 E273 L274 K280	K272-Q276 VanDerWaalsContact O-CG 3.28Å; K272-Q276 WeakPolarHBondContact O-CG 3.37Å; K272-Q276 PolarHBondContact O-N 3.4Å; K272-Q276 VanDerWaalsContact O-N 3.08Å; E273-Q276 PolarHBondContact O-N 3.48Å; L274-Q276 VanDerWaalsContact C-N 3.33Å; L274-Q276 PolarHBondContact O-N 3.36Å; Q276-K280 WeakPolarHBondContact O-CB 3.44Å; Q276-K280 PolarHBondContact O-N 3.18Å
277	L	96.6	Very high	97.2	Very high	108 Å²	108	104.4 Å²	104.4	57%	0.565	49%	0.494	S	S	*	.	H	α-helix	trans	-68.2	-42.6	175.7	-71.7	171.2	0	0	0	112	E273 L274 E275 Q279 K280 Q281	E273-L277 WeakPolarHBondContact O-CG 3.47Å; E273-L277 PolarHBondContact O-N 2.84Å; L274-L277 WeakPolarHBondContact O-CB 3.37Å; L274-L277 PolarHBondContact O-N 3.2Å; L274-L277 VanDerWaalsContact O-N 3.11Å; E275-L277 VanDerWaalsContact C-N 3.33Å; E275-L277 PolarHBondContact O-N 3.28Å; L277-Q279 PolarHBondContact O-N 3.38Å; L277-K280 PolarHBondContact O-N 2.93Å; L277-Q281 WeakPolarHBondContact O-CB 3.46Å; L277-Q281 PolarHBondContact O-N 2.89Å
278	F	96.8	Very high	97	Very high	122 Å²	122	103.3 Å²	103.3	54%	0.535	49%	0.494	S	S	.	.	H	α-helix	trans	-62.7	-40.4	174	-78.9	-61.4	0	0	0	112.4	L274 E275 K280 Q281 R282	L274-F278 VanDerWaalsContact O-CD2 3.24Å; L274-F278 WeakPolarHBondContact O-CD2 3.42Å; L274-F278 PolarHBondContact O-N 3.31Å; E275-F278 PolarHBondContact O-N 2.85Å; F278-K280 VanDerWaalsContact C-N 3.33Å; F278-K280 PolarHBondContact O-N 3.3Å; F278-Q281 PolarHBondContact O-N 3.25Å; F278-R282 PolarHBondContact O-N 2.78Å
279	Q	97.6	Very high	96.9	Very high	86 Å²	86	107.9 Å²	107.9	40%	0.402	51%	0.511	S	S	.	.	H	α-helix	trans	-64.8	-35.8	173.6	-71.3	-179.4	24.4	0	0	112.4	E275 L277 R283	E275-Q279 WeakPolarHBondContact O-CG 3.34Å; E275-Q279 PolarHBondContact O-N 3.32Å; E275-Q279 WeakPolarHBondContact OE1-CG 3.29Å; E275-Q279 PolarHBondContact OE1-NE2 2.91Å; L277-Q279 PolarHBondContact O-N 3.38Å; Q279-R283 WeakPolarHBondContact O-CG 3.31Å; Q279-R283 PolarHBondContact O-N 3Å
280	K	97.5	Very high	96.9	Very high	130 Å²	130	110.6 Å²	110.6	57%	0.565	52%	0.517	S	S	*	.	H	α-helix	trans	-69.3	-42.3	173.7	-172.7	-180	178.4	-175.9	0	111.6	Q276 L277 F278 R283 L284	Q276-K280 WeakPolarHBondContact O-CB 3.44Å; Q276-K280 PolarHBondContact O-N 3.18Å; L277-K280 PolarHBondContact O-N 2.93Å; F278-K280 VanDerWaalsContact C-N 3.33Å; F278-K280 PolarHBondContact O-N 3.3Å; K280-R283 PolarHBondContact O-N 2.85Å; K280-L284 HydrophobicContact CG-CD1 4.27Å; K280-L284 WeakPolarHBondContact O-CG 3.32Å; K280-L284 PolarHBondContact O-N 3.18Å; K280-L284 VanDerWaalsContact O-N 3.12Å
281	Q	96.1	Very high	96.9	Very high	94 Å²	94	110.4 Å²	110.4	44%	0.439	52%	0.521	S	S	.	.	H	α-helix	trans	-57.9	-52	176.3	176.9	176.2	-18.1	0	0	110.8	L277 F278 R283 L284 E285	L277-Q281 WeakPolarHBondContact O-CB 3.46Å; L277-Q281 PolarHBondContact O-N 2.89Å; F278-Q281 PolarHBondContact O-N 3.25Å; Q281-R283 VanDerWaalsContact C-N 3.29Å; Q281-R283 PolarHBondContact O-N 3.49Å; Q281-L284 PolarHBondContact O-N 2.84Å; Q281-E285 HydrophobicContact CG-CG 4.25Å; Q281-E285 VanDerWaalsContact CG-OE1 3.32Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.47Å; Q281-E285 PolarHBondContact NE2-OE1 3.44Å; Q281-E285 WeakPolarHBondContact O-CG 3.38Å; Q281-E285 PolarHBondContact O-N 3.22Å
282	R	97.5	Very high	96.8	Very high	186 Å²	186	110.5 Å²	110.5	70%	0.702	52%	0.521	S	S	*	.	H	α-helix	trans	-56.1	-39.4	177.5	-83.1	-175.8	172.8	161	0	113.6	F278 E285 C286	F278-R282 PolarHBondContact O-N 2.78Å; R282-E285 PolarHBondContact O-N 2.96Å; R282-C286 PolarHBondContact O-N 2.97Å; R282-C286 PolarHBondContact O-SG 3.44Å
283	R	97.4	Very high	96.7	Very high	165 Å²	165	107.7 Å²	107.7	62%	0.623	52%	0.516	S	S	*	.	H	α-helix	trans	-64.4	-41.5	176.5	-69.3	174.1	-161	-175.9	7.2	111.8	Q279 K280 Q281 Q287	Q279-R283 WeakPolarHBondContact O-CG 3.31Å; Q279-R283 PolarHBondContact O-N 3Å; K280-R283 PolarHBondContact O-N 2.85Å; Q281-R283 VanDerWaalsContact C-N 3.29Å; Q281-R283 PolarHBondContact O-N 3.49Å; R283-Q287 VanDerWaalsContact O-CG 3.32Å; R283-Q287 WeakPolarHBondContact O-CG 3.46Å; R283-Q287 PolarHBondContact O-N 3.01Å
284	L	96.9	Very high	96.6	Very high	88 Å²	88	109.8 Å²	109.8	46%	0.461	53%	0.526	S	S	.	.	H	α-helix	trans	-68.3	-38.1	176	-67.3	169	0	0	0	111.6	K280 Q281 Q287 C288	K280-L284 HydrophobicContact CG-CD1 4.27Å; K280-L284 WeakPolarHBondContact O-CG 3.32Å; K280-L284 PolarHBondContact O-N 3.18Å; K280-L284 VanDerWaalsContact O-N 3.12Å; Q281-L284 PolarHBondContact O-N 2.84Å; L284-Q287 PolarHBondContact O-N 3.07Å; L284-C288 WeakPolarHBondContact O-CB 3.39Å; L284-C288 PolarHBondContact O-N 3.32Å; L284-C288 PolarHBondContact O-SG 2.9Å
285	E	96.9	Very high	96.6	Very high	84 Å²	84	109.8 Å²	109.8	39%	0.393	52%	0.523	S	S	.	.	H	α-helix	trans	-61.6	-45.6	174.2	-71.8	168	167.5	0	0	111.6	Q281 R282 C288 Q289	Q281-E285 HydrophobicContact CG-CG 4.25Å; Q281-E285 VanDerWaalsContact CG-OE1 3.32Å; Q281-E285 WeakPolarHBondContact CG-OE1 3.47Å; Q281-E285 PolarHBondContact NE2-OE1 3.44Å; Q281-E285 WeakPolarHBondContact O-CG 3.38Å; Q281-E285 PolarHBondContact O-N 3.22Å; R282-E285 PolarHBondContact O-N 2.96Å; E285-C288 PolarHBondContact O-N 2.94Å; E285-Q289 WeakPolarHBondContact O-CG 3.31Å; E285-Q289 PolarHBondContact O-N 2.69Å
286	C	96.9	Very high	96.5	Very high	61 Å²	61	110.7 Å²	110.7	41%	0.412	53%	0.527	S	S	.	.	H	α-helix	trans	-60.7	-46.8	173	-67.1	0	0	0	0	111.9	R282 C288 Q289 E290	R282-C286 PolarHBondContact O-N 2.97Å; R282-C286 PolarHBondContact O-SG 3.44Å; C286-C288 VanDerWaalsContact C-N 3.3Å; C286-C288 PolarHBondContact O-N 3.03Å; C286-Q289 WeakPolarHBondContact O-CB 3.36Å; C286-Q289 PolarHBondContact O-N 3.08Å; C286-E290 WeakPolarHBondContact O-CG 3.48Å; C286-E290 PolarHBondContact O-N 3.46Å
287	Q	97.7	Very high	96.4	Very high	102 Å²	102	110.3 Å²	110.3	48%	0.477	53%	0.526	S	S	.	.	H	α-helix	trans	-61.3	-37.1	177.8	-74.5	177.4	-33.8	0	0	112.8	R283 L284 L291	R283-Q287 VanDerWaalsContact O-CG 3.32Å; R283-Q287 WeakPolarHBondContact O-CG 3.46Å; R283-Q287 PolarHBondContact O-N 3.01Å; L284-Q287 PolarHBondContact O-N 3.07Å; Q287-L291 WeakPolarHBondContact O-CB 3.3Å; Q287-L291 VanDerWaalsContact O-CG 3.27Å; Q287-L291 WeakPolarHBondContact O-CG 3.4Å; Q287-L291 PolarHBondContact O-N 3.33Å
288	C	94.1	Very high	96.3	Very high	85 Å²	85	108.4 Å²	108.4	57%	0.574	52%	0.519	S	S	*	.	H	α-helix	trans	-67	-35.4	173.4	-71.4	0	0	0	0	112.5	L284 E285 C286 H292	L284-C288 WeakPolarHBondContact O-CB 3.39Å; L284-C288 PolarHBondContact O-N 3.32Å; L284-C288 PolarHBondContact O-SG 2.9Å; E285-C288 PolarHBondContact O-N 2.94Å; C286-C288 VanDerWaalsContact C-N 3.3Å; C286-C288 PolarHBondContact O-N 3.03Å; C288-H292 VanDerWaalsContact O-CB 3.32Å; C288-H292 WeakPolarHBondContact O-CB 3.46Å; C288-H292 PolarHBondContact O-N 3.26Å; C288-H292 VanDerWaalsContact O-N 3.09Å
289	Q	95.6	Very high	96.3	Very high	137 Å²	137	108 Å²	108	64%	0.64	52%	0.517	S	S	*	.	H	α-helix	trans	-70.3	-43.7	175.4	-71.1	168.3	2.9	0	0	111.7	E285 C286 H292 S293	E285-Q289 WeakPolarHBondContact O-CG 3.31Å; E285-Q289 PolarHBondContact O-N 2.69Å; C286-Q289 WeakPolarHBondContact O-CB 3.36Å; C286-Q289 PolarHBondContact O-N 3.08Å; Q289-H292 PolarHBondContact O-N 3.4Å; Q289-S293 PolarHBondContact O-N 3.28Å
290	E	96.8	Very high	96.2	Very high	116 Å²	116	106.7 Å²	106.7	54%	0.542	51%	0.514	S	S	.	.	H	α-helix	trans	-57.9	-54.1	174.9	-71.7	165.3	173.1	0	0	110.7	C286 H292 S293 E294	C286-E290 WeakPolarHBondContact O-CG 3.48Å; C286-E290 PolarHBondContact O-N 3.46Å; E290-H292 VanDerWaalsContact C-N 3.25Å; E290-H292 PolarHBondContact O-N 3.23Å; E290-S293 WeakPolarHBondContact O-CB 3.34Å; E290-S293 PolarHBondContact O-N 3.06Å; E290-E294 PolarHBondContact O-N 3.48Å
291	L	95.8	Very high	96.1	Very high	109 Å²	109	105.9 Å²	105.9	57%	0.571	51%	0.512	S	S	*	.	H	α-helix	trans	-60.3	-31.5	176.8	-72.6	169.8	0	0	0	113.2	Q287 Q295	Q287-L291 WeakPolarHBondContact O-CB 3.3Å; Q287-L291 VanDerWaalsContact O-CG 3.27Å; Q287-L291 WeakPolarHBondContact O-CG 3.4Å; Q287-L291 PolarHBondContact O-N 3.33Å; L291-Q295 WeakPolarHBondContact O-CB 3.48Å; L291-Q295 PolarHBondContact O-N 2.84Å
292	H	95.5	Very high	96.1	Very high	124 Å²	124	106.3 Å²	106.3	57%	0.574	52%	0.518	S	S	*	.	H	α-helix	trans	-73.2	-35.3	175.5	-165.9	63.9	0	0	0	112.2	C288 Q289 E290 Q295 H296	C288-H292 VanDerWaalsContact O-CB 3.32Å; C288-H292 WeakPolarHBondContact O-CB 3.46Å; C288-H292 PolarHBondContact O-N 3.26Å; C288-H292 VanDerWaalsContact O-N 3.09Å; Q289-H292 PolarHBondContact O-N 3.4Å; E290-H292 VanDerWaalsContact C-N 3.25Å; E290-H292 PolarHBondContact O-N 3.23Å; H292-Q295 PolarHBondContact O-N 2.53Å; H292-H296 PolarHBondContact O-N 3.01Å
293	S	96.1	Very high	96.1	Very high	62 Å²	62	101.5 Å²	101.5	43%	0.434	51%	0.509	S	S	.	.	H	α-helix	trans	-64.1	-49	171.7	-159.8	0	0	0	0	111	Q289 E290 Q295 H296 E297	Q289-S293 PolarHBondContact O-N 3.28Å; E290-S293 WeakPolarHBondContact O-CB 3.34Å; E290-S293 PolarHBondContact O-N 3.06Å; S293-Q295 VanDerWaalsContact C-N 3.29Å; S293-Q295 PolarHBondContact O-N 3.43Å; S293-H296 WeakPolarHBondContact O-CB 3.49Å; S293-H296 PolarHBondContact O-N 3.04Å; S293-E297 PolarHBondContact O-N 3.39Å
294	E	96	Very high	96.1	Very high	119 Å²	119	99.5 Å²	99.5	56%	0.556	51%	0.505	S	S	*	.	H	α-helix	trans	-58.5	-40.4	175.2	-68.4	-178.2	166.5	0	0	111.7	E290 H296 E297 T298	E290-E294 PolarHBondContact O-N 3.48Å; E294-H296 VanDerWaalsContact C-N 3.33Å; E294-H296 PolarHBondContact O-N 3.15Å; E294-E297 PolarHBondContact O-N 2.78Å; E294-T298 WeakPolarHBondContact O-CB 3.12Å; E294-T298 WeakPolarHBondContact O-CG2 3.24Å; E294-T298 PolarHBondContact O-N 3.34Å; E294-T298 PolarHBondContact O-OG1 2.88Å
295	Q	95.3	Very high	96	Very high	95 Å²	95	100 Å²	100	44%	0.444	51%	0.507	S	S	.	.	H	α-helix	trans	-66.7	-32.6	175.1	-159.3	-163.6	63.7	0	0	112.5	L291 H292 S293 T298 K299	L291-Q295 WeakPolarHBondContact O-CB 3.48Å; L291-Q295 PolarHBondContact O-N 2.84Å; H292-Q295 PolarHBondContact O-N 2.53Å; S293-Q295 VanDerWaalsContact C-N 3.29Å; S293-Q295 PolarHBondContact O-N 3.43Å; Q295-T298 WeakPolarHBondContact CA-OG1 3.31Å; Q295-T298 PolarHBondContact O-OG1 2.81Å; Q295-K299 WeakPolarHBondContact O-CB 3.5Å; Q295-K299 VanDerWaalsContact O-CD 3.3Å; Q295-K299 WeakPolarHBondContact O-CD 3.45Å; Q295-K299 WeakPolarHBondContact O-CG 3.22Å; Q295-K299 PolarHBondContact O-N 2.84Å
296	H	94.8	Very high	96	Very high	118 Å²	118	102.4 Å²	102.4	55%	0.546	52%	0.517	S	S	.	.	H	α-helix	trans	-71.8	-46.9	174.9	-175	88.9	0	0	0	111.4	H292 S293 E294 T298 K299 V300	H292-H296 PolarHBondContact O-N 3.01Å; S293-H296 WeakPolarHBondContact O-CB 3.49Å; S293-H296 PolarHBondContact O-N 3.04Å; E294-H296 VanDerWaalsContact C-N 3.33Å; E294-H296 PolarHBondContact O-N 3.15Å; H296-T298 PolarHBondContact O-N 3.46Å; H296-K299 WeakPolarHBondContact O-CB 3.39Å; H296-K299 PolarHBondContact O-N 3.06Å; H296-V300 WeakPolarHBondContact O-CG2 3.2Å; H296-V300 PolarHBondContact O-N 2.86Å
297	E	96.3	Very high	96	Very high	126 Å²	126	104.8 Å²	104.8	59%	0.589	52%	0.521	S	S	*	.	H	α-helix	trans	-60	-47.1	178	-72.5	177.5	-152.4	0	0	111.8	S293 E294 K299 V300 E301	S293-E297 PolarHBondContact O-N 3.39Å; E294-E297 PolarHBondContact O-N 2.78Å; E297-K299 VanDerWaalsContact C-N 3.34Å; E297-K299 PolarHBondContact O-N 3.06Å; E297-V300 PolarHBondContact O-N 3.21Å; E297-V300 VanDerWaalsContact O-N 3.15Å; E297-E301 PolarHBondContact O-N 3.06Å
298	T	94.9	Very high	95.9	Very high	67 Å²	67	103.4 Å²	103.4	41%	0.411	52%	0.52	S	S	.	.	H	α-helix	trans	-65.1	-32.9	176.7	50.8	0	0	0	0	113.1	E294 Q295 H296 N302	E294-T298 WeakPolarHBondContact O-CB 3.12Å; E294-T298 WeakPolarHBondContact O-CG2 3.24Å; E294-T298 PolarHBondContact O-N 3.34Å; E294-T298 PolarHBondContact O-OG1 2.88Å; Q295-T298 WeakPolarHBondContact CA-OG1 3.31Å; Q295-T298 PolarHBondContact O-OG1 2.81Å; H296-T298 PolarHBondContact O-N 3.46Å; T298-N302 WeakPolarHBondContact O-CB 3.34Å; T298-N302 PolarHBondContact O-N 3.13Å; T298-N302 PolarHBondContact O-ND2 2.9Å
299	K	96.1	Very high	96	Very high	114 Å²	114	104.3 Å²	104.3	50%	0.496	52%	0.519	S	S	.	.	H	α-helix	trans	-63.5	-46.3	169.8	-79	165.9	179.2	167.3	0	111.4	Q295 H296 E297 E301 N302 V303	Q295-K299 WeakPolarHBondContact O-CB 3.5Å; Q295-K299 VanDerWaalsContact O-CD 3.3Å; Q295-K299 WeakPolarHBondContact O-CD 3.45Å; Q295-K299 WeakPolarHBondContact O-CG 3.22Å; Q295-K299 PolarHBondContact O-N 2.84Å; H296-K299 WeakPolarHBondContact O-CB 3.39Å; H296-K299 PolarHBondContact O-N 3.06Å; E297-K299 VanDerWaalsContact C-N 3.34Å; E297-K299 PolarHBondContact O-N 3.06Å; K299-E301 VanDerWaalsContact C-N 3.33Å; K299-E301 PolarHBondContact O-N 2.95Å; K299-N302 PolarHBondContact O-N 3.14Å; K299-V303 WeakPolarHBondContact O-CG2 3.4Å; K299-V303 PolarHBondContact O-N 3.42Å
300	V	96.9	Very high	96.1	Very high	58 Å²	58	101.1 Å²	101.1	35%	0.352	51%	0.507	S	S	.	.	H	α-helix	trans	-63.8	-37.8	178	171	0	0	0	0	111.6	H296 E297 K304	H296-V300 WeakPolarHBondContact O-CG2 3.2Å; H296-V300 PolarHBondContact O-N 2.86Å; E297-V300 PolarHBondContact O-N 3.21Å; E297-V300 VanDerWaalsContact O-N 3.15Å; V300-K304 HydrophobicContact CG1-CD 4.42Å; V300-K304 WeakPolarHBondContact O-CG 3.27Å; V300-K304 PolarHBondContact O-N 3.46Å
301	E	95.8	Very high	96.1	Very high	113 Å²	113	99 Å²	99	53%	0.528	50%	0.499	S	S	.	.	H	α-helix	trans	-66.6	-44.1	173.9	-172.7	170.6	-146.1	0	0	112.1	E297 K299 V303 K304 L305	E297-E301 PolarHBondContact O-N 3.06Å; K299-E301 VanDerWaalsContact C-N 3.33Å; K299-E301 PolarHBondContact O-N 2.95Å; E301-V303 VanDerWaalsContact C-N 3.31Å; E301-V303 PolarHBondContact O-N 3.36Å; E301-K304 WeakPolarHBondContact O-CB 3.39Å; E301-K304 PolarHBondContact O-N 2.7Å; E301-K304 VanDerWaalsContact O-N 3.15Å; E301-L305 HydrophobicContact CG-CD1 4.09Å; E301-L305 HydrophobicContact CG-CG 4.35Å; E301-L305 WeakPolarHBondContact O-CG 3.41Å; E301-L305 PolarHBondContact O-N 3.48Å
302	N	95.8	Very high	96.1	Very high	104 Å²	104	98.9 Å²	98.9	56%	0.556	50%	0.499	S	S	*	.	H	α-helix	trans	-60.2	-38.2	175.6	-86.5	-87.5	0	0	0	112.6	T298 K299 L305 K306	T298-N302 WeakPolarHBondContact O-CB 3.34Å; T298-N302 PolarHBondContact O-N 3.13Å; T298-N302 PolarHBondContact O-ND2 2.9Å; K299-N302 PolarHBondContact O-N 3.14Å; N302-L305 PolarHBondContact O-N 3.42Å; N302-K306 WeakPolarHBondContact O-CB 3.48Å; N302-K306 PolarHBondContact O-N 3.21Å
303	V	96.8	Very high	96.1	Very high	84 Å²	84	95.4 Å²	95.4	51%	0.509	49%	0.491	S	S	.	.	H	α-helix	trans	-64	-43.5	174.6	171.7	0	0	0	0	111.4	K299 E301 K306 Q307	K299-V303 WeakPolarHBondContact O-CG2 3.4Å; K299-V303 PolarHBondContact O-N 3.42Å; E301-V303 VanDerWaalsContact C-N 3.31Å; E301-V303 PolarHBondContact O-N 3.36Å; V303-K306 PolarHBondContact O-N 3.21Å; V303-Q307 WeakPolarHBondContact O-CG 3.49Å; V303-Q307 PolarHBondContact O-N 2.73Å
304	K	96.8	Very high	96.2	Very high	124 Å²	124	99.6 Å²	99.6	54%	0.539	50%	0.497	S	S	.	.	H	α-helix	trans	-63.2	-45.7	175.7	-69.8	166	-177.5	169.7	0	111.8	V300 E301 K306 Q307 T308	V300-K304 HydrophobicContact CG1-CD 4.42Å; V300-K304 WeakPolarHBondContact O-CG 3.27Å; V300-K304 PolarHBondContact O-N 3.46Å; E301-K304 WeakPolarHBondContact O-CB 3.39Å; E301-K304 PolarHBondContact O-N 2.7Å; E301-K304 VanDerWaalsContact O-N 3.15Å; K304-K306 VanDerWaalsContact C-N 3.34Å; K304-K306 PolarHBondContact O-N 3.25Å; K304-Q307 WeakPolarHBondContact O-CB 3.29Å; K304-Q307 PolarHBondContact O-N 2.8Å; K304-T308 PolarHBondContact O-N 2.96Å; K304-T308 PolarHBondContact O-OG1 2.96Å
305	L	96	Very high	96.2	Very high	97 Å²	97	99.8 Å²	99.8	51%	0.508	50%	0.498	S	S	.	.	H	α-helix	trans	-61.3	-43	177.8	-72.5	173.2	0	0	0	111.2	E301 N302 T308 N309	E301-L305 HydrophobicContact CG-CD1 4.09Å; E301-L305 HydrophobicContact CG-CG 4.35Å; E301-L305 WeakPolarHBondContact O-CG 3.41Å; E301-L305 PolarHBondContact O-N 3.48Å; N302-L305 PolarHBondContact O-N 3.42Å; L305-T308 WeakPolarHBondContact CA-OG1 3.44Å; L305-T308 PolarHBondContact O-N 2.96Å; L305-T308 PolarHBondContact O-OG1 2.62Å; L305-N309 WeakPolarHBondContact O-CB 3.28Å; L305-N309 PolarHBondContact O-N 3.06Å
306	K	96.4	Very high	96.3	Very high	136 Å²	136	101.3 Å²	101.3	59%	0.591	51%	0.509	S	S	*	.	H	α-helix	trans	-58.5	-49.7	173.3	-174.2	-177.2	174.6	-173.8	0	111.3	N302 V303 K304 T308 N309 D310	N302-K306 WeakPolarHBondContact O-CB 3.48Å; N302-K306 PolarHBondContact O-N 3.21Å; V303-K306 PolarHBondContact O-N 3.21Å; K304-K306 VanDerWaalsContact C-N 3.34Å; K304-K306 PolarHBondContact O-N 3.25Å; K306-T308 PolarHBondContact O-N 3.26Å; K306-N309 WeakPolarHBondContact O-CB 3Å; K306-N309 PolarHBondContact O-N 3.31Å; K306-N309 VanDerWaalsContact O-N 3.08Å; K306-D310 WeakPolarHBondContact CE-OD2 3.2Å; K306-D310 VanDerWaalsContact O-CG 3.26Å; K306-D310 PolarHBondContact O-N 3.23Å
307	Q	96.9	Very high	96.3	Very high	110 Å²	110	101.2 Å²	101.2	51%	0.514	51%	0.509	S	S	.	.	H	α-helix	trans	-55.2	-48.6	176.5	-74	171.5	-17.9	0	0	111.7	V303 K304 N309 D310 D311	V303-Q307 WeakPolarHBondContact O-CG 3.49Å; V303-Q307 PolarHBondContact O-N 2.73Å; K304-Q307 WeakPolarHBondContact O-CB 3.29Å; K304-Q307 PolarHBondContact O-N 2.8Å; Q307-N309 VanDerWaalsContact C-N 3.27Å; Q307-N309 PolarHBondContact O-N 2.79Å; Q307-D310 PolarHBondContact O-N 3.02Å; Q307-D311 WeakPolarHBondContact O-CB 3.4Å; Q307-D311 PolarHBondContact O-N 3.43Å
308	T	95.9	Very high	96.4	Very high	74 Å²	74	100.1 Å²	100.1	45%	0.454	51%	0.507	S	S	.	.	H	α-helix	trans	-64.1	-30.1	177.6	55.1	0	0	0	0	113.7	K304 L305 K306 L312	K304-T308 PolarHBondContact O-N 2.96Å; K304-T308 PolarHBondContact O-OG1 2.96Å; L305-T308 WeakPolarHBondContact CA-OG1 3.44Å; L305-T308 PolarHBondContact O-N 2.96Å; L305-T308 PolarHBondContact O-OG1 2.62Å; K306-T308 PolarHBondContact O-N 3.26Å; T308-L312 WeakPolarHBondContact O-CB 3.28Å; T308-L312 WeakPolarHBondContact O-CD1 3.36Å; T308-L312 VanDerWaalsContact O-CG 3.23Å; T308-L312 WeakPolarHBondContact O-CG 3.07Å; T308-L312 PolarHBondContact O-N 2.95Å
309	N	96.1	Very high	96.5	Very high	103 Å²	103	101.1 Å²	101.1	55%	0.551	51%	0.512	S	S	*	.	H	α-helix	trans	-75.2	-39.8	175.6	-175.7	74.1	0	0	0	111.9	L305 K306 Q307 D311 L312 A313	L305-N309 WeakPolarHBondContact O-CB 3.28Å; L305-N309 PolarHBondContact O-N 3.06Å; K306-N309 WeakPolarHBondContact O-CB 3Å; K306-N309 PolarHBondContact O-N 3.31Å; K306-N309 VanDerWaalsContact O-N 3.08Å; Q307-N309 VanDerWaalsContact C-N 3.27Å; Q307-N309 PolarHBondContact O-N 2.79Å; N309-D311 VanDerWaalsContact C-N 3.3Å; N309-L312 PolarHBondContact O-N 2.69Å; N309-A313 VanDerWaalsContact O-CB 3.28Å; N309-A313 WeakPolarHBondContact O-CB 3.45Å; N309-A313 PolarHBondContact O-N 3.25Å
310	D	96.8	Very high	96.5	Very high	71 Å²	71	98.9 Å²	98.9	38%	0.38	51%	0.511	S	S	.	.	H	α-helix	trans	-67.7	-30.6	174.3	-63.5	-16.4	0	0	0	111.2	K306 Q307 R314	K306-D310 WeakPolarHBondContact CE-OD2 3.2Å; K306-D310 VanDerWaalsContact O-CG 3.26Å; K306-D310 PolarHBondContact O-N 3.23Å; Q307-D310 PolarHBondContact O-N 3.02Å; D310-R314 VanDerWaalsContact O-CG 3.31Å; D310-R314 WeakPolarHBondContact O-CG 3.36Å; D310-R314 PolarHBondContact O-N 3.19Å; D310-R314 PolarHBondContact O-NE 2.87Å
311	D	96.4	Very high	96.5	Very high	72 Å²	72	100.7 Å²	100.7	39%	0.385	52%	0.515	S	S	.	.	H	α-helix	trans	-68.5	-53	171.1	-69.4	-10.5	0	0	0	111.4	Q307 N309 A313 R314 E315	Q307-D311 WeakPolarHBondContact O-CB 3.4Å; Q307-D311 PolarHBondContact O-N 3.43Å; N309-D311 VanDerWaalsContact C-N 3.3Å; D311-A313 VanDerWaalsContact C-N 3.28Å; D311-A313 PolarHBondContact O-N 2.94Å; D311-R314 PolarHBondContact O-N 2.99Å; D311-R314 VanDerWaalsContact O-N 3.08Å; D311-R314 IonicContact OD1-CZ 2.76Å; D311-R314 IonicContact OD1-NH2 3.34Å; D311-R314 PolarHBondContact OD1-NH2 2.91Å; D311-E315 PolarHBondContact O-N 2.85Å
312	L	96.6	Very high	96.6	Very high	106 Å²	106	101.7 Å²	101.7	56%	0.555	52%	0.52	S	S	*	.	H	α-helix	trans	-61.7	-33.6	178	-74.2	168.6	0	0	0	112.7	T308 N309 R314 E315 L316	T308-L312 WeakPolarHBondContact O-CB 3.28Å; T308-L312 WeakPolarHBondContact O-CD1 3.36Å; T308-L312 VanDerWaalsContact O-CG 3.23Å; T308-L312 WeakPolarHBondContact O-CG 3.07Å; T308-L312 PolarHBondContact O-N 2.95Å; N309-L312 PolarHBondContact O-N 2.69Å; L312-R314 VanDerWaalsContact C-N 3.35Å; L312-E315 PolarHBondContact O-N 3.36Å; L312-L316 VanDerWaalsContact O-CB 3.31Å; L312-L316 WeakPolarHBondContact O-CB 3.48Å; L312-L316 PolarHBondContact O-N 2.9Å
313	A	96.4	Very high	96.6	Very high	51 Å²	51	101.3 Å²	101.3	42%	0.421	52%	0.518	S	S	.	.	H	α-helix	trans	-63.7	-39.9	174	0	0	0	0	0	111.9	N309 D311 L316 E317	N309-A313 VanDerWaalsContact O-CB 3.28Å; N309-A313 WeakPolarHBondContact O-CB 3.45Å; N309-A313 PolarHBondContact O-N 3.25Å; D311-A313 VanDerWaalsContact C-N 3.28Å; D311-A313 PolarHBondContact O-N 2.94Å; A313-L316 PolarHBondContact O-N 2.92Å; A313-E317 WeakPolarHBondContact O-CB 3.37Å; A313-E317 PolarHBondContact O-N 3.17Å
314	R	96.7	Very high	96.6	Very high	149 Å²	149	100.5 Å²	100.5	56%	0.562	51%	0.513	S	S	*	.	H	α-helix	trans	-70.4	-39	176.2	-68.7	-179.9	-59.6	133.4	-7.5	112.2	D310 D311 L312 E317 L318	D310-R314 VanDerWaalsContact O-CG 3.31Å; D310-R314 WeakPolarHBondContact O-CG 3.36Å; D310-R314 PolarHBondContact O-N 3.19Å; D310-R314 PolarHBondContact O-NE 2.87Å; D311-R314 PolarHBondContact O-N 2.99Å; D311-R314 VanDerWaalsContact O-N 3.08Å; D311-R314 IonicContact OD1-CZ 2.76Å; D311-R314 IonicContact OD1-NH2 3.34Å; D311-R314 PolarHBondContact OD1-NH2 2.91Å; L312-R314 VanDerWaalsContact C-N 3.35Å; R314-E317 PolarHBondContact O-N 3.18Å; R314-L318 WeakPolarHBondContact O-CG 3.38Å; R314-L318 PolarHBondContact O-N 2.92Å
315	E	96.6	Very high	96.6	Very high	123 Å²	123	99.2 Å²	99.2	58%	0.575	51%	0.511	S	S	*	.	H	α-helix	trans	-62.5	-43.7	172.2	-69.5	-170.3	163.4	0	0	111.7	D311 L312 E317 L318 V319	D311-E315 PolarHBondContact O-N 2.85Å; L312-E315 PolarHBondContact O-N 3.36Å; E315-E317 VanDerWaalsContact C-N 3.34Å; E315-E317 PolarHBondContact O-N 3.38Å; E315-L318 PolarHBondContact O-N 3.48Å; E315-V319 WeakPolarHBondContact O-CG2 3.43Å; E315-V319 PolarHBondContact O-N 3Å
316	L	96.6	Very high	96.5	Very high	127 Å²	127	97 Å²	97	67%	0.665	51%	0.507	S	S	*	.	H	α-helix	trans	-61.9	-40.6	175.9	-174.8	70.9	0	0	0	111.9	L312 A313 S320	L312-L316 VanDerWaalsContact O-CB 3.31Å; L312-L316 WeakPolarHBondContact O-CB 3.48Å; L312-L316 PolarHBondContact O-N 2.9Å; A313-L316 PolarHBondContact O-N 2.92Å; L316-S320 VanDerWaalsContact O-CB 3.27Å; L316-S320 WeakPolarHBondContact O-CB 3.49Å; L316-S320 PolarHBondContact O-N 3.44Å
317	E	96.7	Very high	96.5	Very high	117 Å²	117	96.1 Å²	96.1	55%	0.547	51%	0.505	S	S	.	.	H	α-helix	trans	-64.9	-45.6	176.8	-162.2	-170.1	158	0	0	111.6	A313 R314 E315 V319 S320 Q321	A313-E317 WeakPolarHBondContact O-CB 3.37Å; A313-E317 PolarHBondContact O-N 3.17Å; R314-E317 PolarHBondContact O-N 3.18Å; E315-E317 VanDerWaalsContact C-N 3.34Å; E315-E317 PolarHBondContact O-N 3.38Å; E317-V319 PolarHBondContact O-N 3.19Å; E317-S320 WeakPolarHBondContact O-CB 3.26Å; E317-S320 PolarHBondContact O-N 3.11Å; E317-S320 VanDerWaalsContact O-N 3.17Å; E317-Q321 WeakPolarHBondContact O-CG 3.23Å; E317-Q321 PolarHBondContact O-N 2.72Å; E317-Q321 PolarHBondContact OE1-NE2 3.19Å
318	L	97.3	Very high	96.4	Very high	103 Å²	103	96.4 Å²	96.4	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-59	-48	176.2	-72.2	169.2	0	0	0	111.7	R314 E315 S320 Q321 E322	R314-L318 WeakPolarHBondContact O-CG 3.38Å; R314-L318 PolarHBondContact O-N 2.92Å; E315-L318 PolarHBondContact O-N 3.48Å; L318-S320 VanDerWaalsContact C-N 3.27Å; L318-S320 PolarHBondContact O-N 3.24Å; L318-Q321 PolarHBondContact O-N 2.98Å; L318-E322 WeakPolarHBondContact O-CG 3.27Å; L318-E322 PolarHBondContact O-N 3.48Å
319	V	96.4	Very high	96.4	Very high	87 Å²	87	98.9 Å²	98.9	53%	0.527	51%	0.513	S	S	.	.	H	α-helix	trans	-64.3	-33	177	173.4	0	0	0	0	111.6	E315 E317 L323	E315-V319 WeakPolarHBondContact O-CG2 3.43Å; E315-V319 PolarHBondContact O-N 3Å; E317-V319 PolarHBondContact O-N 3.19Å; V319-L323 WeakPolarHBondContact O-CB 3.48Å; V319-L323 PolarHBondContact O-N 3.09Å
320	S	97.3	Very high	96.4	Very high	67 Å²	67	98.6 Å²	98.6	47%	0.469	51%	0.511	S	S	.	.	H	α-helix	trans	-67.2	-40.4	173.5	-170.5	0	0	0	0	112.3	L316 E317 L318 L323 T324	L316-S320 VanDerWaalsContact O-CB 3.27Å; L316-S320 WeakPolarHBondContact O-CB 3.49Å; L316-S320 PolarHBondContact O-N 3.44Å; E317-S320 WeakPolarHBondContact O-CB 3.26Å; E317-S320 PolarHBondContact O-N 3.11Å; E317-S320 VanDerWaalsContact O-N 3.17Å; L318-S320 VanDerWaalsContact C-N 3.27Å; L318-S320 PolarHBondContact O-N 3.24Å; S320-L323 PolarHBondContact O-N 2.93Å; S320-T324 WeakPolarHBondContact O-CB 3.32Å; S320-T324 PolarHBondContact O-N 3.23Å; S320-T324 PolarHBondContact O-OG1 3.01Å
321	Q	97.1	Very high	96.3	Very high	96 Å²	96	96.8 Å²	96.8	45%	0.449	51%	0.509	S	S	.	.	H	α-helix	trans	-65.7	-45.8	174.2	-67.9	174.6	21.3	0	0	111.3	E317 L318 L323 T324 L325	E317-Q321 WeakPolarHBondContact O-CG 3.23Å; E317-Q321 PolarHBondContact O-N 2.72Å; E317-Q321 PolarHBondContact OE1-NE2 3.19Å; L318-Q321 PolarHBondContact O-N 2.98Å; Q321-L323 PolarHBondContact O-N 3.42Å; Q321-T324 WeakPolarHBondContact O-CB 3.35Å; Q321-T324 PolarHBondContact O-N 2.97Å; Q321-L325 WeakPolarHBondContact O-CG 3.36Å; Q321-L325 PolarHBondContact O-N 3.48Å
322	E	97	Very high	96.3	Very high	135 Å²	135	98.9 Å²	98.9	63%	0.631	52%	0.52	S	S	*	.	H	α-helix	trans	-59.6	-43.9	174.3	-72.2	-174.4	167.7	0	0	112.3	L318 T324 L325 A326	L318-E322 WeakPolarHBondContact O-CG 3.27Å; L318-E322 PolarHBondContact O-N 3.48Å; E322-T324 VanDerWaalsContact C-N 3.32Å; E322-T324 PolarHBondContact O-N 2.93Å; E322-L325 PolarHBondContact O-N 2.76Å; E322-A326 WeakPolarHBondContact O-CB 3.27Å; E322-A326 PolarHBondContact O-N 2.66Å
323	L	96.1	Very high	96.2	Very high	96 Å²	96	98.9 Å²	98.9	50%	0.503	52%	0.52	S	S	.	.	H	α-helix	trans	-62.1	-39.2	176	179.2	60	0	0	0	111.9	V319 S320 Q321 A326 Q327	V319-L323 WeakPolarHBondContact O-CB 3.48Å; V319-L323 PolarHBondContact O-N 3.09Å; S320-L323 PolarHBondContact O-N 2.93Å; Q321-L323 PolarHBondContact O-N 3.42Å; L323-A326 PolarHBondContact O-N 3.41Å; L323-Q327 VanDerWaalsContact O-CG 3.3Å; L323-Q327 WeakPolarHBondContact O-CG 3.35Å; L323-Q327 PolarHBondContact O-N 3.23Å
324	T	96.4	Very high	96.1	Very high	66 Å²	66	102.2 Å²	102.2	41%	0.405	53%	0.527	S	S	.	.	H	α-helix	trans	-64.2	-47.9	176.8	-56.9	0	0	0	0	110.7	S320 Q321 E322 A326 Q327 E328	S320-T324 WeakPolarHBondContact O-CB 3.32Å; S320-T324 PolarHBondContact O-N 3.23Å; S320-T324 PolarHBondContact O-OG1 3.01Å; Q321-T324 WeakPolarHBondContact O-CB 3.35Å; Q321-T324 PolarHBondContact O-N 2.97Å; E322-T324 VanDerWaalsContact C-N 3.32Å; E322-T324 PolarHBondContact O-N 2.93Å; T324-A326 VanDerWaalsContact C-N 3.3Å; T324-A326 PolarHBondContact O-N 3.37Å; T324-Q327 WeakPolarHBondContact O-CB 3.36Å; T324-Q327 PolarHBondContact O-N 3.46Å; T324-Q327 VanDerWaalsContact O-N 3.11Å; T324-E328 PolarHBondContact O-N 3.37Å
325	L	96.4	Very high	96	Very high	97 Å²	97	99.5 Å²	99.5	51%	0.508	52%	0.52	S	S	.	.	H	α-helix	trans	-60.8	-37.4	175.7	-68.1	170.8	0	0	0	112.3	Q321 E322 E328 Q329	Q321-L325 WeakPolarHBondContact O-CG 3.36Å; Q321-L325 PolarHBondContact O-N 3.48Å; E322-L325 PolarHBondContact O-N 2.76Å; L325-E328 PolarHBondContact O-N 2.85Å; L325-Q329 VanDerWaalsContact O-CG 3.31Å; L325-Q329 WeakPolarHBondContact O-CG 3.37Å; L325-Q329 PolarHBondContact O-N 3.07Å
326	A	94.8	Very high	95.9	Very high	51 Å²	51	99 Å²	99	42%	0.421	52%	0.518	S	S	.	.	H	α-helix	trans	-67.7	-36.2	174.7	0	0	0	0	0	112.6	E322 L323 T324 L330	E322-A326 WeakPolarHBondContact O-CB 3.27Å; E322-A326 PolarHBondContact O-N 2.66Å; L323-A326 PolarHBondContact O-N 3.41Å; T324-A326 VanDerWaalsContact C-N 3.3Å; T324-A326 PolarHBondContact O-N 3.37Å; A326-L330 WeakPolarHBondContact O-CB 3.37Å; A326-L330 PolarHBondContact O-N 2.65Å
327	Q	95.4	Very high	95.7	Very high	117 Å²	117	96.8 Å²	96.8	55%	0.547	51%	0.513	S	S	.	.	H	α-helix	trans	-67.8	-40.6	173.7	-72.9	174.2	19.5	0	0	112	L323 T324 L330 G331	L323-Q327 VanDerWaalsContact O-CG 3.3Å; L323-Q327 WeakPolarHBondContact O-CG 3.35Å; L323-Q327 PolarHBondContact O-N 3.23Å; T324-Q327 WeakPolarHBondContact O-CB 3.36Å; T324-Q327 PolarHBondContact O-N 3.46Å; T324-Q327 VanDerWaalsContact O-N 3.11Å; Q327-L330 PolarHBondContact O-N 2.74Å; Q327-G331 PolarHBondContact O-N 2.83Å
328	E	96.1	Very high	95.6	Very high	116 Å²	116	94 Å²	94	54%	0.542	51%	0.51	S	S	.	.	H	α-helix	trans	-62.1	-46.3	174.2	-71.2	-178.8	167.1	0	0	111.9	T324 L325 L330 G331 L332	T324-E328 PolarHBondContact O-N 3.37Å; L325-E328 PolarHBondContact O-N 2.85Å; E328-L330 VanDerWaalsContact C-N 3.34Å; E328-L330 PolarHBondContact O-N 3.17Å; E328-G331 PolarHBondContact O-N 3.23Å; E328-G331 VanDerWaalsContact O-N 3.17Å; E328-L332 WeakPolarHBondContact O-CG 3.39Å; E328-L332 PolarHBondContact O-N 3.49Å
329	Q	95.6	Very high	95.4	Very high	127 Å²	127	96 Å²	96	59%	0.593	51%	0.51	S	S	*	.	H	α-helix	trans	-60.6	-41.8	175.2	-72.7	175.6	33.2	0	0	112.2	L325 G331 L332 L333	L325-Q329 VanDerWaalsContact O-CG 3.31Å; L325-Q329 WeakPolarHBondContact O-CG 3.37Å; L325-Q329 PolarHBondContact O-N 3.07Å; Q329-G331 VanDerWaalsContact C-N 3.34Å; Q329-L332 PolarHBondContact O-N 2.94Å; Q329-L333 WeakPolarHBondContact O-CG 3.4Å; Q329-L333 PolarHBondContact O-N 3.43Å
330	L	95.6	Very high	95.3	Very high	96 Å²	96	95.3 Å²	95.3	50%	0.503	50%	0.504	S	S	.	.	H	α-helix	trans	-63.4	-40	174.9	-177.6	62.7	0	0	0	111.5	A326 Q327 E328 L333 Q334	A326-L330 WeakPolarHBondContact O-CB 3.37Å; A326-L330 PolarHBondContact O-N 2.65Å; Q327-L330 PolarHBondContact O-N 2.74Å; E328-L330 VanDerWaalsContact C-N 3.34Å; E328-L330 PolarHBondContact O-N 3.17Å; L330-L333 PolarHBondContact O-N 3.14Å; L330-Q334 WeakPolarHBondContact O-CB 3.49Å; L330-Q334 VanDerWaalsContact O-CG 3.29Å; L330-Q334 WeakPolarHBondContact O-CG 3.18Å; L330-Q334 PolarHBondContact O-N 3.34Å
331	G	95.4	Very high	95.1	Very high	34 Å²	34	97.7 Å²	97.7	35%	0.351	51%	0.507	S	S	.	.	H	α-helix	trans	-60.7	-46.3	174.9	0	0	0	0	0	112.7	Q327 E328 Q329 L333 Q334 E335	Q327-G331 PolarHBondContact O-N 2.83Å; E328-G331 PolarHBondContact O-N 3.23Å; E328-G331 VanDerWaalsContact O-N 3.17Å; Q329-G331 VanDerWaalsContact C-N 3.34Å; G331-L333 VanDerWaalsContact C-N 3.35Å; G331-L333 PolarHBondContact O-N 3.36Å; G331-Q334 PolarHBondContact O-N 3.06Å; G331-E335 PolarHBondContact O-N 3.41Å
332	L	95.8	Very high	94.9	Very high	116 Å²	116	99.2 Å²	99.2	61%	0.607	51%	0.514	S	S	*	.	H	α-helix	trans	-61	-41.4	175.6	-70.5	170.6	0	0	0	112.3	E328 Q329 E335 Q336	E328-L332 WeakPolarHBondContact O-CG 3.39Å; E328-L332 PolarHBondContact O-N 3.49Å; Q329-L332 PolarHBondContact O-N 2.94Å; L332-E335 PolarHBondContact O-N 2.86Å; L332-Q336 WeakPolarHBondContact O-CB 3.39Å; L332-Q336 PolarHBondContact O-N 3.21Å
333	L	93.6	Very high	94.7	Very high	106 Å²	106	99 Å²	99	56%	0.555	51%	0.513	S	S	*	.	H	α-helix	trans	-68.3	-37	176.1	-71.3	171	0	0	0	112.4	Q329 L330 G331 S337	Q329-L333 WeakPolarHBondContact O-CG 3.4Å; Q329-L333 PolarHBondContact O-N 3.43Å; L330-L333 PolarHBondContact O-N 3.14Å; G331-L333 VanDerWaalsContact C-N 3.35Å; G331-L333 PolarHBondContact O-N 3.36Å; L333-S337 VanDerWaalsContact O-CB 3.27Å; L333-S337 WeakPolarHBondContact O-CB 3.26Å; L333-S337 PolarHBondContact O-N 3.06Å
334	Q	94.7	Very high	94.5	Very high	121 Å²	121	100.2 Å²	100.2	57%	0.565	51%	0.514	S	S	*	.	H	α-helix	trans	-65	-43.1	173	-75	176.3	10.4	0	0	111.4	L330 G331 S337 A338	L330-Q334 WeakPolarHBondContact O-CB 3.49Å; L330-Q334 VanDerWaalsContact O-CG 3.29Å; L330-Q334 WeakPolarHBondContact O-CG 3.18Å; L330-Q334 PolarHBondContact O-N 3.34Å; G331-Q334 PolarHBondContact O-N 3.06Å; Q334-S337 WeakPolarHBondContact O-CB 3.46Å; Q334-S337 PolarHBondContact O-N 3.29Å; Q334-A338 WeakPolarHBondContact O-CB 2.91Å; Q334-A338 PolarHBondContact O-N 3.02Å
335	E	95	Very high	94.2	Very high	91 Å²	91	102.7 Å²	102.7	43%	0.425	52%	0.521	S	S	.	.	H	α-helix	trans	-65	-44.3	176.5	-157.8	-159.2	164.7	0	0	111.6	G331 L332 S337 A338 R339	G331-E335 PolarHBondContact O-N 3.41Å; L332-E335 PolarHBondContact O-N 2.86Å; E335-S337 VanDerWaalsContact C-N 3.3Å; E335-S337 PolarHBondContact O-N 3.26Å; E335-A338 PolarHBondContact O-N 2.91Å; E335-R339 VanDerWaalsContact CD-NH2 3.3Å; E335-R339 WeakPolarHBondContact O-CG 3.29Å; E335-R339 PolarHBondContact O-N 3.19Å; E335-R339 IonicContact OE1-CZ 3.87Å; E335-R339 IonicContact OE1-NE 2.68Å; E335-R339 PolarHBondContact OE1-NE 3.44Å; E335-R339 IonicContact OE1-NH2 3.64Å; E335-R339 PolarHBondContact OE1-NH2 3.31Å; E335-R339 IonicContact OE2-NH2 2.82Å; E335-R339 PolarHBondContact OE2-NH2 2.86Å
336	Q	95.1	Very high	94	Very high	114 Å²	114	102.7 Å²	102.7	53%	0.533	52%	0.52	S	S	.	.	H	α-helix	trans	-60.8	-40.4	175.4	-171.9	-179.6	10.9	0	0	111.6	L332 L340	L332-Q336 WeakPolarHBondContact O-CB 3.39Å; L332-Q336 PolarHBondContact O-N 3.21Å; Q336-L340 HydrophobicContact CG-CD1 4.15Å; Q336-L340 WeakPolarHBondContact O-CB 3.39Å; Q336-L340 VanDerWaalsContact O-CG 3.32Å; Q336-L340 WeakPolarHBondContact O-CG 3.47Å; Q336-L340 PolarHBondContact O-N 2.88Å
337	S	92.1	Very high	93.8	Very high	79 Å²	79	106 Å²	106	55%	0.552	53%	0.526	S	S	*	.	H	α-helix	trans	-63.3	-42.2	175	-170.3	0	0	0	0	112	L333 Q334 E335 L340 H341	L333-S337 VanDerWaalsContact O-CB 3.27Å; L333-S337 WeakPolarHBondContact O-CB 3.26Å; L333-S337 PolarHBondContact O-N 3.06Å; Q334-S337 WeakPolarHBondContact O-CB 3.46Å; Q334-S337 PolarHBondContact O-N 3.29Å; E335-S337 VanDerWaalsContact C-N 3.3Å; E335-S337 PolarHBondContact O-N 3.26Å; S337-L340 PolarHBondContact O-N 2.65Å; S337-H341 PolarHBondContact O-N 3.32Å
338	A	94.2	Very high	93.6	Very high	59 Å²	59	105.4 Å²	105.4	49%	0.488	53%	0.526	S	S	.	.	H	α-helix	trans	-64.7	-46.3	176.4	0	0	0	0	0	112.3	Q334 E335 L340 H341 E342	Q334-A338 WeakPolarHBondContact O-CB 2.91Å; Q334-A338 PolarHBondContact O-N 3.02Å; E335-A338 PolarHBondContact O-N 2.91Å; A338-L340 PolarHBondContact O-N 2.94Å; A338-H341 WeakPolarHBondContact O-CA 3.5Å; A338-H341 VanDerWaalsContact O-CB 3.32Å; A338-H341 WeakPolarHBondContact O-CB 3.45Å; A338-H341 PolarHBondContact O-N 2.84Å; A338-E342 PolarHBondContact O-N 2.82Å
339	R	94.4	Very high	93.4	Very high	144 Å²	144	106.9 Å²	106.9	54%	0.543	53%	0.528	S	S	.	.	H	α-helix	trans	-58.9	-45.3	174.6	-67.8	176.1	-174.5	-167.3	7.8	111.5	E335 H341 E342 E343	E335-R339 VanDerWaalsContact CD-NH2 3.3Å; E335-R339 WeakPolarHBondContact O-CG 3.29Å; E335-R339 PolarHBondContact O-N 3.19Å; E335-R339 IonicContact OE1-CZ 3.87Å; E335-R339 IonicContact OE1-NE 2.68Å; E335-R339 PolarHBondContact OE1-NE 3.44Å; E335-R339 IonicContact OE1-NH2 3.64Å; E335-R339 PolarHBondContact OE1-NH2 3.31Å; E335-R339 IonicContact OE2-NH2 2.82Å; E335-R339 PolarHBondContact OE2-NH2 2.86Å; R339-H341 PolarHBondContact O-N 2.8Å; R339-E342 PolarHBondContact O-N 3.18Å; R339-E343 WeakPolarHBondContact O-CG 3.3Å; R339-E343 PolarHBondContact O-N 3.13Å
340	L	93.6	Very high	93.3	Very high	74 Å²	74	108.5 Å²	108.5	39%	0.387	53%	0.528	S	S	.	.	H	α-helix	trans	-66.8	-14.9	174.5	-75.7	169.9	0	0	0	114	Q336 S337 A338 K344	Q336-L340 HydrophobicContact CG-CD1 4.15Å; Q336-L340 WeakPolarHBondContact O-CB 3.39Å; Q336-L340 VanDerWaalsContact O-CG 3.32Å; Q336-L340 WeakPolarHBondContact O-CG 3.47Å; Q336-L340 PolarHBondContact O-N 2.88Å; S337-L340 PolarHBondContact O-N 2.65Å; A338-L340 PolarHBondContact O-N 2.94Å; L340-K344 WeakPolarHBondContact O-CD 3.31Å; L340-K344 WeakPolarHBondContact O-CE 3.43Å; L340-K344 VanDerWaalsContact O-CG 3.26Å; L340-K344 WeakPolarHBondContact O-CG 3.23Å
341	H	91.8	Very high	93.1	Very high	116 Å²	116	109.8 Å²	109.8	54%	0.537	54%	0.535	S	S	.	.	H	α-helix	trans	-85.2	-48.7	171.5	-164.6	62.5	0	0	0	110.4	S337 A338 R339 E343 K344 E345	S337-H341 PolarHBondContact O-N 3.32Å; A338-H341 WeakPolarHBondContact O-CA 3.5Å; A338-H341 VanDerWaalsContact O-CB 3.32Å; A338-H341 WeakPolarHBondContact O-CB 3.45Å; A338-H341 PolarHBondContact O-N 2.84Å; R339-H341 PolarHBondContact O-N 2.8Å; H341-E343 VanDerWaalsContact C-N 3.35Å; H341-E343 PolarHBondContact O-N 2.99Å; H341-K344 WeakPolarHBondContact O-CB 3.31Å; H341-K344 PolarHBondContact O-N 2.89Å; H341-E345 PolarHBondContact O-N 2.9Å
342	E	93.3	Very high	93	Very high	128 Å²	128	111.6 Å²	111.6	60%	0.598	54%	0.539	S	S	*	.	H	α-helix	trans	-58.3	-42.8	175.9	-173.7	178.9	-170.6	0	0	112.1	A338 R339 K344 E345 M346	A338-E342 PolarHBondContact O-N 2.82Å; R339-E342 PolarHBondContact O-N 3.18Å; E342-K344 VanDerWaalsContact C-N 3.3Å; E342-K344 PolarHBondContact O-N 3.31Å; E342-E345 PolarHBondContact O-N 3.06Å; E342-M346 WeakPolarHBondContact O-CB 3.32Å; E342-M346 WeakPolarHBondContact O-CG 3.39Å; E342-M346 PolarHBondContact O-N 3.13Å
343	E	92.4	Very high	92.8	Very high	130 Å²	130	109.5 Å²	109.5	61%	0.607	53%	0.527	S	S	*	.	H	α-helix	trans	-58.1	-41	173.8	-75.9	-179.6	162.1	0	0	112.2	R339 H341 M346 E347	R339-E343 WeakPolarHBondContact O-CG 3.3Å; R339-E343 PolarHBondContact O-N 3.13Å; H341-E343 VanDerWaalsContact C-N 3.35Å; H341-E343 PolarHBondContact O-N 2.99Å; E343-M346 PolarHBondContact O-N 3.46Å; E343-E347 WeakPolarHBondContact O-CB 3.25Å; E343-E347 PolarHBondContact O-N 3.35Å
344	K	92.3	Very high	92.7	Very high	123 Å²	123	105.7 Å²	105.7	54%	0.535	51%	0.513	S	S	.	.	H	α-helix	trans	-70.9	-41.3	177.3	-71.6	169.3	-169.1	160.2	0	112	L340 H341 E342 M346 E347 I348	L340-K344 WeakPolarHBondContact O-CD 3.31Å; L340-K344 WeakPolarHBondContact O-CE 3.43Å; L340-K344 VanDerWaalsContact O-CG 3.26Å; L340-K344 WeakPolarHBondContact O-CG 3.23Å; H341-K344 WeakPolarHBondContact O-CB 3.31Å; H341-K344 PolarHBondContact O-N 2.89Å; E342-K344 VanDerWaalsContact C-N 3.3Å; E342-K344 PolarHBondContact O-N 3.31Å; K344-M346 VanDerWaalsContact C-N 3.3Å; K344-M346 PolarHBondContact O-N 3.47Å; K344-E347 PolarHBondContact O-N 2.91Å; K344-I348 WeakPolarHBondContact O-CB 3.28Å; K344-I348 WeakPolarHBondContact O-CD1 3.39Å; K344-I348 WeakPolarHBondContact O-CG1 3.4Å; K344-I348 PolarHBondContact O-N 3Å
345	E	91.1	Very high	92.5	Very high	118 Å²	118	105.5 Å²	105.5	55%	0.551	52%	0.515	S	S	*	.	H	α-helix	trans	-61.6	-41	174.3	-69.3	-160.3	126	0	0	111.1	H341 E342 I348 Y349	H341-E345 PolarHBondContact O-N 2.9Å; E342-E345 PolarHBondContact O-N 3.06Å; E345-I348 PolarHBondContact O-N 3.27Å; E345-Y349 WeakPolarHBondContact O-CB 3.25Å; E345-Y349 PolarHBondContact O-N 2.91Å
346	M	91.2	Very high	92.2	Very high	97 Å²	97	106 Å²	106	48%	0.478	52%	0.518	S	S	.	.	H	α-helix	trans	-67.1	-35.1	175.7	-75.5	-65.8	-77.5	0	0	113.2	E342 E343 K344 R350	E342-M346 WeakPolarHBondContact O-CB 3.32Å; E342-M346 WeakPolarHBondContact O-CG 3.39Å; E342-M346 PolarHBondContact O-N 3.13Å; E343-M346 PolarHBondContact O-N 3.46Å; K344-M346 VanDerWaalsContact C-N 3.3Å; K344-M346 PolarHBondContact O-N 3.47Å; M346-R350 VanDerWaalsContact O-CG 3.3Å; M346-R350 WeakPolarHBondContact O-CG 3.28Å; M346-R350 PolarHBondContact O-N 3.01Å
347	E	91.2	Very high	92	Very high	119 Å²	119	107.3 Å²	107.3	56%	0.556	52%	0.518	S	S	*	.	H	α-helix	trans	-72.9	-40.9	173.6	-173.5	149.3	-117	0	0	112.4	E343 K344 Y349 R350 L351	E343-E347 WeakPolarHBondContact O-CB 3.25Å; E343-E347 PolarHBondContact O-N 3.35Å; K344-E347 PolarHBondContact O-N 2.91Å; E347-Y349 VanDerWaalsContact C-N 3.28Å; E347-Y349 PolarHBondContact O-N 3.4Å; E347-R350 PolarHBondContact O-N 3.21Å; E347-L351 HydrophobicContact CG-CD1 4.3Å; E347-L351 WeakPolarHBondContact O-CB 3.04Å; E347-L351 PolarHBondContact O-N 2.58Å
348	I	90.8	Very high	91.9	Very high	105 Å²	105	109.6 Å²	109.6	54%	0.538	52%	0.52	S	S	.	.	H	α-helix	trans	-59	-41.2	170.7	-70.6	164.1	0	0	0	110.4	K344 E345 L351 T352	K344-I348 WeakPolarHBondContact O-CB 3.28Å; K344-I348 WeakPolarHBondContact O-CD1 3.39Å; K344-I348 WeakPolarHBondContact O-CG1 3.4Å; K344-I348 PolarHBondContact O-N 3Å; E345-I348 PolarHBondContact O-N 3.27Å; I348-L351 PolarHBondContact O-N 3.03Å; I348-T352 VanDerWaalsContact O-CB 3.29Å; I348-T352 WeakPolarHBondContact O-CB 3.41Å; I348-T352 PolarHBondContact O-N 3.42Å; I348-T352 PolarHBondContact O-OG1 3.48Å
349	Y	92	Very high	91.7	Very high	147 Å²	147	114.5 Å²	114.5	58%	0.576	53%	0.526	S	S	*	.	H	α-helix	trans	-62.1	-49	175.3	-177.6	-88.9	0	0	0	111.3	E345 E347 L351 T352 E353	E345-Y349 WeakPolarHBondContact O-CB 3.25Å; E345-Y349 PolarHBondContact O-N 2.91Å; E347-Y349 VanDerWaalsContact C-N 3.28Å; E347-Y349 PolarHBondContact O-N 3.4Å; Y349-L351 PolarHBondContact O-N 2.88Å; Y349-T352 PolarHBondContact O-N 3.28Å; Y349-E353 WeakPolarHBondContact O-CB 3.31Å; Y349-E353 PolarHBondContact O-N 3.07Å
350	R	93.8	Very high	91.5	Very high	161 Å²	161	110 Å²	110	61%	0.608	52%	0.519	S	S	*	.	H	α-helix	trans	-58.9	-45	176.7	-74.4	169.5	-179.4	169.8	3.2	112.5	M346 E347 E353 G354	M346-R350 VanDerWaalsContact O-CG 3.3Å; M346-R350 WeakPolarHBondContact O-CG 3.28Å; M346-R350 PolarHBondContact O-N 3.01Å; E347-R350 PolarHBondContact O-N 3.21Å; R350-E353 PolarHBondContact O-N 3.47Å; R350-G354 PolarHBondContact O-N 2.91Å
351	L	92.1	Very high	91.3	Very high	123 Å²	123	109.4 Å²	109.4	64%	0.644	52%	0.521	S	S	*	.	H	α-helix	trans	-61.3	-45.7	175.3	-85.6	160.8	0	0	0	111.6	E347 I348 Y349 E353 G354 L355	E347-L351 HydrophobicContact CG-CD1 4.3Å; E347-L351 WeakPolarHBondContact O-CB 3.04Å; E347-L351 PolarHBondContact O-N 2.58Å; I348-L351 PolarHBondContact O-N 3.03Å; Y349-L351 PolarHBondContact O-N 2.88Å; L351-E353 PolarHBondContact O-N 2.91Å; L351-G354 PolarHBondContact O-N 3.01Å; L351-L355 WeakPolarHBondContact O-CB 3.44Å; L351-L355 PolarHBondContact O-N 2.78Å
352	T	91.8	Very high	91.3	Very high	72 Å²	72	109 Å²	109	44%	0.442	52%	0.522	S	S	.	.	H	α-helix	trans	-63.3	-42	178.1	-58.1	0	0	0	0	111.5	I348 Y349 L355 Q356	I348-T352 VanDerWaalsContact O-CB 3.29Å; I348-T352 WeakPolarHBondContact O-CB 3.41Å; I348-T352 PolarHBondContact O-N 3.42Å; I348-T352 PolarHBondContact O-OG1 3.48Å; Y349-T352 PolarHBondContact O-N 3.28Å; T352-L355 PolarHBondContact O-N 3.03Å; T352-Q356 WeakPolarHBondContact O-CB 3.39Å; T352-Q356 WeakPolarHBondContact O-CG 3.48Å; T352-Q356 PolarHBondContact O-N 3.15Å
353	E	92.4	Very high	91.1	Very high	72 Å²	72	107.2 Å²	107.2	34%	0.336	51%	0.514	S	S	.	.	H	α-helix	trans	-69.7	-36.6	177.8	-157.7	-156.6	-168.8	0	0	112.1	Y349 R350 L351 Q356 R357	Y349-E353 WeakPolarHBondContact O-CB 3.31Å; Y349-E353 PolarHBondContact O-N 3.07Å; R350-E353 PolarHBondContact O-N 3.47Å; L351-E353 PolarHBondContact O-N 2.91Å; E353-Q356 PolarHBondContact O-N 2.93Å; E353-R357 WeakPolarHBondContact O-CG 3.42Å; E353-R357 PolarHBondContact O-N 2.92Å; E353-R357 IonicContact OE1-CZ 3.53Å; E353-R357 IonicContact OE1-NH1 2.94Å; E353-R357 IonicContact OE1-NH2 3.41Å; E353-R357 PolarHBondContact OE1-NH2 2.81Å; E353-R357 IonicContact OE2-CZ 2.59Å; E353-R357 IonicContact OE2-NH1 2.78Å; E353-R357 PolarHBondContact OE2-NH1 3.46Å; E353-R357 IonicContact OE2-NH2 3.78Å; E353-R357 PolarHBondContact OE2-NH2 3.37Å
354	G	90.9	Very high	91	Very high	27 Å²	27	108.5 Å²	108.5	28%	0.278	52%	0.517	S	S	.	.	H	α-helix	trans	-58.8	-52.2	169.4	0	0	0	0	0	111.8	R350 L351 Q356 R357 E358	R350-G354 PolarHBondContact O-N 2.91Å; L351-G354 PolarHBondContact O-N 3.01Å; G354-Q356 VanDerWaalsContact C-N 3.29Å; G354-Q356 PolarHBondContact O-N 3.03Å; G354-R357 WeakPolarHBondContact O-CB 3.41Å; G354-R357 PolarHBondContact O-N 3.34Å; G354-E358 PolarHBondContact O-N 3.4Å
355	L	90.8	Very high	90.8	Very high	116 Å²	116	107.8 Å²	107.8	61%	0.607	52%	0.516	S	S	*	.	H	α-helix	trans	-60.9	-35.7	177.4	-173.9	65.4	0	0	0	112.5	L351 T352 E358 R359	L351-L355 WeakPolarHBondContact O-CB 3.44Å; L351-L355 PolarHBondContact O-N 2.78Å; T352-L355 PolarHBondContact O-N 3.03Å; L355-E358 PolarHBondContact O-N 2.71Å; L355-R359 WeakPolarHBondContact O-CB 3.21Å; L355-R359 PolarHBondContact O-N 3.33Å
356	Q	88.5	Confident	90.6	Very high	101 Å²	101	105.8 Å²	105.8	47%	0.472	51%	0.509	S	S	.	.	H	α-helix	trans	-64.2	-42.2	172.3	-71.5	-86.3	17.8	0	0	111.9	T352 E353 G354 A360	T352-Q356 WeakPolarHBondContact O-CB 3.39Å; T352-Q356 WeakPolarHBondContact O-CG 3.48Å; T352-Q356 PolarHBondContact O-N 3.15Å; E353-Q356 PolarHBondContact O-N 2.93Å; G354-Q356 VanDerWaalsContact C-N 3.29Å; G354-Q356 PolarHBondContact O-N 3.03Å; Q356-A360 VanDerWaalsContact O-CB 3.32Å; Q356-A360 WeakPolarHBondContact O-CB 3.39Å; Q356-A360 PolarHBondContact O-N 2.59Å
357	R	90.9	Very high	90.4	Very high	142 Å²	142	104.4 Å²	104.4	54%	0.536	50%	0.504	S	S	.	.	H	α-helix	trans	-63.3	-44.8	174.9	-70.5	176.7	-175.8	101	-3	111.7	E353 G354 A360 S361	E353-R357 WeakPolarHBondContact O-CG 3.42Å; E353-R357 PolarHBondContact O-N 2.92Å; E353-R357 IonicContact OE1-CZ 3.53Å; E353-R357 IonicContact OE1-NH1 2.94Å; E353-R357 IonicContact OE1-NH2 3.41Å; E353-R357 PolarHBondContact OE1-NH2 2.81Å; E353-R357 IonicContact OE2-CZ 2.59Å; E353-R357 IonicContact OE2-NH1 2.78Å; E353-R357 PolarHBondContact OE2-NH1 3.46Å; E353-R357 IonicContact OE2-NH2 3.78Å; E353-R357 PolarHBondContact OE2-NH2 3.37Å; G354-R357 WeakPolarHBondContact O-CB 3.41Å; G354-R357 PolarHBondContact O-N 3.34Å; R357-A360 PolarHBondContact O-N 2.78Å; R357-S361 WeakPolarHBondContact O-CB 3.44Å; R357-S361 PolarHBondContact O-N 2.6Å
358	E	89.9	Confident	90.3	Very high	128 Å²	128	104.3 Å²	104.3	60%	0.598	51%	0.506	S	S	*	.	H	α-helix	trans	-63.2	-48.2	176.4	-70.3	-169.6	159.8	0	0	111.6	G354 L355 A360 S361 L362	G354-E358 PolarHBondContact O-N 3.4Å; L355-E358 PolarHBondContact O-N 2.71Å; E358-A360 VanDerWaalsContact C-N 3.28Å; E358-A360 PolarHBondContact O-N 3.13Å; E358-S361 WeakPolarHBondContact O-CA 3.25Å; E358-S361 WeakPolarHBondContact O-CB 3.48Å; E358-S361 PolarHBondContact O-N 2.91Å; E358-L362 WeakPolarHBondContact O-CG 3.4Å; E358-L362 PolarHBondContact O-N 3.02Å
359	R	91.3	Very high	89.9	Confident	161 Å²	161	104.3 Å²	104.3	61%	0.608	51%	0.507	S	S	*	.	H	α-helix	trans	-54.6	-43.1	174	179.6	-174.8	174.7	-156.7	0.8	111.9	L355 H363	L355-R359 WeakPolarHBondContact O-CB 3.21Å; L355-R359 PolarHBondContact O-N 3.33Å; R359-H363 PolarHBondContact O-N 2.78Å
360	A	88.6	Confident	89.6	Confident	49 Å²	49	103.6 Å²	103.6	41%	0.405	50%	0.503	S	S	.	.	H	α-helix	trans	-69.4	-34.8	177.3	0	0	0	0	0	112.6	Q356 R357 E358 H363 K364	Q356-A360 VanDerWaalsContact O-CB 3.32Å; Q356-A360 WeakPolarHBondContact O-CB 3.39Å; Q356-A360 PolarHBondContact O-N 2.59Å; R357-A360 PolarHBondContact O-N 2.78Å; E358-A360 VanDerWaalsContact C-N 3.28Å; E358-A360 PolarHBondContact O-N 3.13Å; A360-H363 PolarHBondContact O-N 2.71Å; A360-K364 WeakPolarHBondContact O-CG 3.36Å; A360-K364 PolarHBondContact O-N 2.86Å
361	S	90.4	Very high	89.1	Confident	62 Å²	62	101.1 Å²	101.1	43%	0.434	50%	0.498	S	S	.	.	H	α-helix	trans	-65.6	-47.4	173.1	-166.8	0	0	0	0	111.5	R357 E358 H363 K364 Q365	R357-S361 WeakPolarHBondContact O-CB 3.44Å; R357-S361 PolarHBondContact O-N 2.6Å; E358-S361 WeakPolarHBondContact O-CA 3.25Å; E358-S361 WeakPolarHBondContact O-CB 3.48Å; E358-S361 PolarHBondContact O-N 2.91Å; S361-H363 VanDerWaalsContact C-N 3.31Å; S361-H363 PolarHBondContact O-N 2.91Å; S361-K364 WeakPolarHBondContact O-CB 3.21Å; S361-K364 PolarHBondContact O-N 3.49Å; S361-K364 VanDerWaalsContact O-N 3.15Å; S361-Q365 WeakPolarHBondContact O-CG 3.47Å; S361-Q365 PolarHBondContact O-N 3.39Å
362	L	91.3	Very high	88.6	Confident	107 Å²	107	100.1 Å²	100.1	56%	0.56	49%	0.491	S	S	*	.	H	α-helix	trans	-61.5	-37.1	174.5	-69.4	169.6	0	0	0	111.9	E358 Q365 L366	E358-L362 WeakPolarHBondContact O-CG 3.4Å; E358-L362 PolarHBondContact O-N 3.02Å; L362-Q365 PolarHBondContact O-N 3.1Å; L362-L366 WeakPolarHBondContact O-CB 3.3Å; L362-L366 PolarHBondContact O-N 2.82Å
363	H	89.4	Confident	88	Confident	92 Å²	92	101 Å²	101	43%	0.426	49%	0.493	S	S	.	.	H	α-helix	trans	-64.6	-43.6	173.1	-128.8	83.4	0	0	0	111.8	R359 A360 S361 Q365 L366 D367	R359-H363 PolarHBondContact O-N 2.78Å; A360-H363 PolarHBondContact O-N 2.71Å; S361-H363 VanDerWaalsContact C-N 3.31Å; S361-H363 PolarHBondContact O-N 2.91Å; H363-Q365 VanDerWaalsContact C-N 3.32Å; H363-Q365 PolarHBondContact O-N 3.21Å; H363-L366 WeakPolarHBondContact O-CB 3.15Å; H363-L366 PolarHBondContact O-N 3.46Å; H363-L366 VanDerWaalsContact O-N 3.16Å; H363-D367 IonicContact CD2-OD2 3.68Å; H363-D367 WeakPolarHBondContact O-CB 3.46Å; H363-D367 PolarHBondContact O-N 3.17Å
364	K	89.6	Confident	87.5	Confident	156 Å²	156	102.5 Å²	102.5	68%	0.678	50%	0.499	S	S	*	.	H	α-helix	trans	-62.3	-36.8	174.5	-71.8	171.5	-178.8	179.1	0	112.6	A360 S361 L368	A360-K364 WeakPolarHBondContact O-CG 3.36Å; A360-K364 PolarHBondContact O-N 2.86Å; S361-K364 WeakPolarHBondContact O-CB 3.21Å; S361-K364 PolarHBondContact O-N 3.49Å; S361-K364 VanDerWaalsContact O-N 3.15Å; K364-L368 WeakPolarHBondContact O-CB 3.27Å; K364-L368 PolarHBondContact O-N 2.73Å
365	Q	88.9	Confident	86.8	Confident	108 Å²	108	106 Å²	106	51%	0.505	51%	0.508	S	S	.	.	H	α-helix	trans	-66.7	-42.3	172.6	-71	179.3	-7.2	0	0	111.7	S361 L362 H363 D367 L368 L369	S361-Q365 WeakPolarHBondContact O-CG 3.47Å; S361-Q365 PolarHBondContact O-N 3.39Å; L362-Q365 PolarHBondContact O-N 3.1Å; H363-Q365 VanDerWaalsContact C-N 3.32Å; H363-Q365 PolarHBondContact O-N 3.21Å; Q365-D367 VanDerWaalsContact C-N 3.34Å; Q365-D367 PolarHBondContact O-N 3.23Å; Q365-L368 PolarHBondContact O-N 2.61Å; Q365-L369 WeakPolarHBondContact O-CB 3.26Å; Q365-L369 VanDerWaalsContact O-CG 3.3Å; Q365-L369 WeakPolarHBondContact O-CG 3.15Å; Q365-L369 PolarHBondContact O-N 3.21Å
366	L	87.9	Confident	86	Confident	77 Å²	77	104.8 Å²	104.8	40%	0.403	50%	0.501	S	S	.	.	H	α-helix	trans	-62.3	-40.6	175.1	-173.2	70.5	0	0	0	111.8	L362 H363 L369 R370	L362-L366 WeakPolarHBondContact O-CB 3.3Å; L362-L366 PolarHBondContact O-N 2.82Å; H363-L366 WeakPolarHBondContact O-CB 3.15Å; H363-L366 PolarHBondContact O-N 3.46Å; H363-L366 VanDerWaalsContact O-N 3.16Å; L366-L369 PolarHBondContact O-N 2.9Å; L366-R370 WeakPolarHBondContact O-CD 3.25Å; L366-R370 VanDerWaalsContact O-CG 3.25Å; L366-R370 WeakPolarHBondContact O-CG 3.26Å; L366-R370 PolarHBondContact O-N 2.89Å
367	D	86.9	Confident	85.2	Confident	68 Å²	68	107.8 Å²	107.8	36%	0.364	51%	0.508	S	S	.	.	H	α-helix	trans	-71.3	-37.5	177	-70.3	-33.3	0	0	0	112.3	H363 Q365 L369 R370 E371	H363-D367 IonicContact CD2-OD2 3.68Å; H363-D367 WeakPolarHBondContact O-CB 3.46Å; H363-D367 PolarHBondContact O-N 3.17Å; Q365-D367 VanDerWaalsContact C-N 3.34Å; Q365-D367 PolarHBondContact O-N 3.23Å; D367-L369 VanDerWaalsContact C-N 3.33Å; D367-L369 PolarHBondContact O-N 2.7Å; D367-R370 WeakPolarHBondContact O-CB 3.32Å; D367-R370 PolarHBondContact O-N 2.71Å; D367-R370 VanDerWaalsContact OD1-CD 3.26Å; D367-R370 WeakPolarHBondContact OD1-CD 3.37Å; D367-R370 IonicContact OD1-CZ 2.7Å; D367-R370 IonicContact OD1-NE 3.66Å; D367-R370 IonicContact OD1-NH1 2.66Å; D367-R370 PolarHBondContact OD1-NH1 2.6Å; D367-E371 WeakPolarHBondContact O-CB 3.34Å; D367-E371 PolarHBondContact O-N 3.39Å
368	L	87.9	Confident	84.1	Confident	117 Å²	117	104.7 Å²	104.7	61%	0.613	50%	0.503	S	S	*	.	H	α-helix	trans	-62	-40.9	169.4	-176.4	65	0	0	0	111.5	K364 Q365 R370 E371 M372	K364-L368 WeakPolarHBondContact O-CB 3.27Å; K364-L368 PolarHBondContact O-N 2.73Å; Q365-L368 PolarHBondContact O-N 2.61Å; L368-R370 VanDerWaalsContact C-N 3.35Å; L368-E371 PolarHBondContact O-N 3.07Å; L368-M372 WeakPolarHBondContact O-CB 3.31Å; L368-M372 WeakPolarHBondContact O-CG 3.45Å; L368-M372 PolarHBondContact O-N 3.32Å
369	L	82.6	Confident	83	Confident	104 Å²	104	103.3 Å²	103.3	55%	0.545	50%	0.496	S	S	.	.	H	α-helix	trans	-67.9	-32.1	174.5	-73.1	169.2	0	0	0	112.5	Q365 L366 D367 N373	Q365-L369 WeakPolarHBondContact O-CB 3.26Å; Q365-L369 VanDerWaalsContact O-CG 3.3Å; Q365-L369 WeakPolarHBondContact O-CG 3.15Å; Q365-L369 PolarHBondContact O-N 3.21Å; L366-L369 PolarHBondContact O-N 2.9Å; D367-L369 VanDerWaalsContact C-N 3.33Å; D367-L369 PolarHBondContact O-N 2.7Å; L369-N373 VanDerWaalsContact O-CB 3.31Å; L369-N373 WeakPolarHBondContact O-CB 3.48Å; L369-N373 PolarHBondContact O-N 3.39Å; L369-N373 PolarHBondContact O-ND2 3.49Å
370	R	86.3	Confident	81.7	Confident	133 Å²	133	103 Å²	103	50%	0.502	50%	0.495	S	S	.	.	H	α-helix	trans	-67.3	-47.1	171.2	-74.5	159	168	169.8	-2	111	L366 D367 L368 N373 K374	L366-R370 WeakPolarHBondContact O-CD 3.25Å; L366-R370 VanDerWaalsContact O-CG 3.25Å; L366-R370 WeakPolarHBondContact O-CG 3.26Å; L366-R370 PolarHBondContact O-N 2.89Å; D367-R370 WeakPolarHBondContact O-CB 3.32Å; D367-R370 PolarHBondContact O-N 2.71Å; D367-R370 VanDerWaalsContact OD1-CD 3.26Å; D367-R370 WeakPolarHBondContact OD1-CD 3.37Å; D367-R370 IonicContact OD1-CZ 2.7Å; D367-R370 IonicContact OD1-NE 3.66Å; D367-R370 IonicContact OD1-NH1 2.66Å; D367-R370 PolarHBondContact OD1-NH1 2.6Å; L368-R370 VanDerWaalsContact C-N 3.35Å; R370-N373 PolarHBondContact O-N 2.65Å; R370-K374 WeakPolarHBondContact O-CB 3.41Å; R370-K374 PolarHBondContact O-N 2.66Å
371	E	83.6	Confident	80.4	Confident	108 Å²	108	105.5 Å²	105.5	51%	0.505	50%	0.501	S	S	.	.	H	α-helix	trans	-64.3	-40	178.1	-158.1	69.1	-124.4	0	0	111.1	D367 L368 K374 H375	D367-E371 WeakPolarHBondContact O-CB 3.34Å; D367-E371 PolarHBondContact O-N 3.39Å; L368-E371 PolarHBondContact O-N 3.07Å; E371-K374 WeakPolarHBondContact O-CB 3.47Å; E371-K374 PolarHBondContact O-N 3.14Å; E371-K374 WeakPolarHBondContact OE1-CD 3.27Å; E371-K374 WeakPolarHBondContact OE1-CE 3.47Å; E371-K374 IonicContact OE1-NZ 3.74Å; E371-K374 PolarHBondContact OE1-NZ 2.87Å; E371-H375 WeakPolarHBondContact O-CB 3.34Å; E371-H375 PolarHBondContact O-N 3.01Å
372	M	81.1	Confident	78.9	Confident	102 Å²	102	108.5 Å²	108.5	50%	0.502	51%	0.51	S	S	.	.	H	α-helix	trans	-65.4	-41.6	171.1	-75	-138.5	72.2	0	0	112.8	L368 K374 H375 L376	L368-M372 WeakPolarHBondContact O-CB 3.31Å; L368-M372 WeakPolarHBondContact O-CG 3.45Å; L368-M372 PolarHBondContact O-N 3.32Å; M372-K374 VanDerWaalsContact C-N 3.26Å; M372-K374 PolarHBondContact O-N 2.92Å; M372-H375 PolarHBondContact O-N 3.27Å; M372-L376 WeakPolarHBondContact O-CB 3.34Å; M372-L376 VanDerWaalsContact O-CG 3.26Å; M372-L376 WeakPolarHBondContact O-CG 3.42Å; M372-L376 PolarHBondContact O-N 2.9Å
373	N	78.3	Confident	77.3	Confident	90 Å²	90	107.1 Å²	107.1	48%	0.481	51%	0.51	S	S	.	.	H	α-helix	trans	-65.5	-30	174.7	-91.9	-87	0	0	0	112.8	L369 R370 R377	L369-N373 VanDerWaalsContact O-CB 3.31Å; L369-N373 WeakPolarHBondContact O-CB 3.48Å; L369-N373 PolarHBondContact O-N 3.39Å; L369-N373 PolarHBondContact O-ND2 3.49Å; R370-N373 PolarHBondContact O-N 2.65Å; N373-R377 WeakPolarHBondContact O-CD 3.24Å; N373-R377 VanDerWaalsContact O-CG 3.23Å; N373-R377 WeakPolarHBondContact O-CG 3.46Å; N373-R377 PolarHBondContact O-N 3.32Å
374	K	82.1	Confident	75.5	Confident	104 Å²	104	110.3 Å²	110.3	45%	0.452	52%	0.522	S	S	.	.	H	α-helix	trans	-70.7	-50.4	171.7	173.3	-176.9	155.7	-148.3	0	110.5	R370 E371 M372 L376 R377 D378	R370-K374 WeakPolarHBondContact O-CB 3.41Å; R370-K374 PolarHBondContact O-N 2.66Å; E371-K374 WeakPolarHBondContact O-CB 3.47Å; E371-K374 PolarHBondContact O-N 3.14Å; E371-K374 WeakPolarHBondContact OE1-CD 3.27Å; E371-K374 WeakPolarHBondContact OE1-CE 3.47Å; E371-K374 IonicContact OE1-NZ 3.74Å; E371-K374 PolarHBondContact OE1-NZ 2.87Å; M372-K374 VanDerWaalsContact C-N 3.26Å; M372-K374 PolarHBondContact O-N 2.92Å; K374-L376 VanDerWaalsContact C-N 3.3Å; K374-L376 PolarHBondContact O-N 3.14Å; K374-R377 CarbonylContact O-C 3.56Å; K374-R377 WeakPolarHBondContact O-CA 3.3Å; K374-R377 WeakPolarHBondContact O-CB 3.44Å; K374-R377 PolarHBondContact O-N 3.03Å; K374-D378 VanDerWaalsContact O-CG 3.25Å; K374-D378 PolarHBondContact O-N 2.9Å
375	H	76.7	Confident	73.5	Confident	101 Å²	101	110.4 Å²	110.4	47%	0.468	53%	0.525	S	S	.	.	H	α-helix	trans	-55.3	-43	174.8	-164.3	-76.5	0	0	0	112.3	E371 M372 R377 D378 E379	E371-H375 WeakPolarHBondContact O-CB 3.34Å; E371-H375 PolarHBondContact O-N 3.01Å; M372-H375 PolarHBondContact O-N 3.27Å; H375-R377 PolarHBondContact O-N 3.3Å; H375-D378 PolarHBondContact O-N 2.84Å; H375-E379 IonicContact CE1-OE1 2.65Å; H375-E379 PolarHBondContact CE1-OE1 3.47Å; H375-E379 IonicContact CE1-OE2 2.65Å; H375-E379 IonicContact ND1-OE1 2.61Å; H375-E379 IonicContact ND1-OE2 2.82Å; H375-E379 PolarHBondContact ND1-OE2 2.75Å; H375-E379 WeakPolarHBondContact O-CB 3.29Å; H375-E379 WeakPolarHBondContact O-CG 3.42Å; H375-E379 PolarHBondContact O-N 2.98Å
376	L	74	Confident	71	Confident	91 Å²	91	114.2 Å²	114.2	48%	0.476	54%	0.54	S	S	.	.	H	α-helix	trans	-69.8	-15.7	175.9	-70.8	168.6	0	0	0	114.3	M372 K374 R380	M372-L376 WeakPolarHBondContact O-CB 3.34Å; M372-L376 VanDerWaalsContact O-CG 3.26Å; M372-L376 WeakPolarHBondContact O-CG 3.42Å; M372-L376 PolarHBondContact O-N 2.9Å; K374-L376 VanDerWaalsContact C-N 3.3Å; K374-L376 PolarHBondContact O-N 3.14Å; L376-R380 WeakPolarHBondContact O-CB 3.49Å
377	R	70.8	Confident	68.5	Low	163 Å²	163	115.7 Å²	115.7	62%	0.615	56%	0.557	S	S	*	*	H	α-helix	trans	-85.8	-45.1	167.4	-72.6	164	-178.9	-120.8	2.7	110.4	N373 K374 H375 E379 R380 D381	N373-R377 WeakPolarHBondContact O-CD 3.24Å; N373-R377 VanDerWaalsContact O-CG 3.23Å; N373-R377 WeakPolarHBondContact O-CG 3.46Å; N373-R377 PolarHBondContact O-N 3.32Å; K374-R377 CarbonylContact O-C 3.56Å; K374-R377 WeakPolarHBondContact O-CA 3.3Å; K374-R377 WeakPolarHBondContact O-CB 3.44Å; K374-R377 PolarHBondContact O-N 3.03Å; H375-R377 PolarHBondContact O-N 3.3Å; R377-E379 VanDerWaalsContact C-N 3.32Å; R377-E379 PolarHBondContact O-N 2.94Å; R377-R380 CarbonylContact O-C 3.57Å; R377-R380 WeakPolarHBondContact O-CA 3.38Å; R377-R380 VanDerWaalsContact O-CB 3.29Å; R377-R380 WeakPolarHBondContact O-CB 3.5Å; R377-R380 PolarHBondContact O-N 2.92Å; R377-D381 PolarHBondContact O-N 2.88Å
378	D	69.8	Low	65.8	Low	78 Å²	78	122.7 Å²	122.7	42%	0.417	58%	0.584	S	S	.	*	H	α-helix	trans	-60.8	-40.3	178	-59.9	-25.1	0	0	0	111.1	K374 H375 D381 M382	K374-D378 VanDerWaalsContact O-CG 3.25Å; K374-D378 PolarHBondContact O-N 2.9Å; H375-D378 PolarHBondContact O-N 2.84Å; D378-D381 PolarHBondContact O-N 3.45Å; D378-M382 VanDerWaalsContact O-CB 3.26Å; D378-M382 WeakPolarHBondContact O-CB 3.49Å; D378-M382 WeakPolarHBondContact O-CG 3.38Å; D378-M382 PolarHBondContact O-N 2.88Å
379	E	65.9	Low	62.8	Low	98 Å²	98	120.6 Å²	120.6	46%	0.458	59%	0.591	S	S	.	*	H	α-helix	trans	-66.3	-33.3	171.5	-75.5	178.3	126.4	0	0	113.1	H375 R377 S383	H375-E379 IonicContact CE1-OE1 2.65Å; H375-E379 PolarHBondContact CE1-OE1 3.47Å; H375-E379 IonicContact CE1-OE2 2.65Å; H375-E379 IonicContact ND1-OE1 2.61Å; H375-E379 IonicContact ND1-OE2 2.82Å; H375-E379 PolarHBondContact ND1-OE2 2.75Å; H375-E379 WeakPolarHBondContact O-CB 3.29Å; H375-E379 WeakPolarHBondContact O-CG 3.42Å; H375-E379 PolarHBondContact O-N 2.98Å; R377-E379 VanDerWaalsContact C-N 3.32Å; R377-E379 PolarHBondContact O-N 2.94Å; E379-S383 WeakPolarHBondContact O-CB 3.41Å; E379-S383 PolarHBondContact O-N 2.86Å; E379-S383 PolarHBondContact O-OG 3.37Å
380	R	64.8	Low	60.2	Low	156 Å²	156	121.6 Å²	121.6	59%	0.589	60%	0.601	S	S	*	*	H	α-helix	trans	-68.6	-46.1	174.6	-167.6	-176.2	-60.7	-171.1	-0.7	110.5	L376 R377 S383 F384	L376-R380 WeakPolarHBondContact O-CB 3.49Å; R377-R380 CarbonylContact O-C 3.57Å; R377-R380 WeakPolarHBondContact O-CA 3.38Å; R377-R380 VanDerWaalsContact O-CB 3.29Å; R377-R380 WeakPolarHBondContact O-CB 3.5Å; R377-R380 PolarHBondContact O-N 2.92Å; R380-S383 WeakPolarHBondContact CA-OG 3.36Å; R380-S383 PolarHBondContact O-N 3.01Å; R380-S383 PolarHBondContact O-OG 2.87Å; R380-F384 HydrophobicContact CG-CD2 4.17Å; R380-F384 HydrophobicContact CG-CE2 4.14Å; R380-F384 WeakPolarHBondContact O-CD2 3.32Å; R380-F384 PolarHBondContact O-N 2.97Å
381	D	60.5	Low	57.5	Low	100 Å²	100	123.9 Å²	123.9	54%	0.535	62%	0.615	S	S	.	*	H	α-helix	trans	-69	-36.2	179.7	-69.4	-10.1	0	0	0	111.3	R377 D378 F384 Q385	R377-D381 PolarHBondContact O-N 2.88Å; D378-D381 PolarHBondContact O-N 3.45Å; D381-F384 PolarHBondContact O-N 3.28Å; D381-Q385 PolarHBondContact O-N 3.21Å
382	M	58.7	Low	55	Low	125 Å²	125	128.4 Å²	128.4	62%	0.616	63%	0.633	S	S	*	*	H	α-helix	trans	-66.5	-34.2	171.8	-76.3	-73.8	-81.3	0	0	113.5	D378 Q385	D378-M382 VanDerWaalsContact O-CB 3.26Å; D378-M382 WeakPolarHBondContact O-CB 3.49Å; D378-M382 WeakPolarHBondContact O-CG 3.38Å; D378-M382 PolarHBondContact O-N 2.88Å; M382-Q385 PolarHBondContact O-N 2.85Å
383	S	56.8	Low	52.3	Low	79 Å²	79	128.3 Å²	128.3	55%	0.552	64%	0.642	S	S	*	*	H	α-helix	trans	-75.8	-28.9	174.4	48.3	0	0	0	0	112.7	E379 R380 Q385	E379-S383 WeakPolarHBondContact O-CB 3.41Å; E379-S383 PolarHBondContact O-N 2.86Å; E379-S383 PolarHBondContact O-OG 3.37Å; R380-S383 WeakPolarHBondContact CA-OG 3.36Å; R380-S383 PolarHBondContact O-N 3.01Å; R380-S383 PolarHBondContact O-OG 2.87Å; S383-Q385 VanDerWaalsContact C-N 3.3Å; S383-Q385 PolarHBondContact O-N 3.07Å
384	F	53.3	Low	49.9	Very low	159 Å²	159	130.1 Å²	130.1	70%	0.697	65%	0.651	S	S	*	*	H	α-helix	trans	-66.2	-25	170.2	-93.9	-74.4	0	0	0	114.1	R380 D381 K386	R380-F384 HydrophobicContact CG-CD2 4.17Å; R380-F384 HydrophobicContact CG-CE2 4.14Å; R380-F384 WeakPolarHBondContact O-CD2 3.32Å; R380-F384 PolarHBondContact O-N 2.97Å; D381-F384 PolarHBondContact O-N 3.28Å; F384-K386 PolarHBondContact O-N 3.5Å
385	Q	47.3	Very low	47.3	Very low	158 Å²	158	133.3 Å²	133.3	74%	0.738	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-5.1	-179.5	-70.4	-171	16.3	0	0	115.3	D381 M382 S383	D381-Q385 PolarHBondContact O-N 3.21Å; M382-Q385 PolarHBondContact O-N 2.85Å; S383-Q385 VanDerWaalsContact C-N 3.3Å; S383-Q385 PolarHBondContact O-N 3.07Å
386	K	35.8	Very low	45	Very low	188 Å²	188	135.5 Å²	135.5	82%	0.817	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.6	29.8	-171.5	-81.7	-177.1	176.8	173.6	0	116.8	F384	F384-K386 PolarHBondContact O-N 3.5Å
387	S	35.1	Very low	42.8	Very low	107 Å²	107	141.4 Å²	141.4	75%	0.748	69%	0.691	S	S	*	*	S	Bend	trans	-144.2	143.7	155.6	64.4	0	0	0	0	111.9
388	K	29.8	Very low	40.7	Very low	216 Å²	216	137.5 Å²	137.5	94%	0.939	69%	0.689	S	S	*	*			trans	-92	121.8	-166.3	-76.5	-176.8	175.3	177.9	0	113
389	G	26	Very low	38.7	Very low	73 Å²	73	143.1 Å²	143.1	75%	0.753	71%	0.71	S	S	*	*			trans	-73.8	-170.7	-175.2	0	0	0	0	0	117.6
390	T	28.4	Very low	37.1	Very low	125 Å²	125	145.5 Å²	145.5	77%	0.767	72%	0.724	S	S	*	*			trans	-161.9	144	163.7	6.6	0	0	0	0	113
391	K	28.8	Very low	35.4	Very low	181 Å²	181	145.2 Å²	145.2	79%	0.787	73%	0.734	S	S	*	*			trans	66.7	126.2	149	-66.9	166.5	-178.2	170	0	121.1
392	K	30.4	Very low	33.9	Very low	203 Å²	203	143.5 Å²	143.5	88%	0.883	74%	0.74	S	S	*	*			trans	69.5	160.4	149.8	-65.6	177.3	178.3	-175.2	0	117.2
393	S	25.2	Very low	32.7	Very low	99 Å²	99	143.6 Å²	143.6	69%	0.692	75%	0.748	S	S	*	*			cis	-176.9	164.1	-31.6	-165.6	0	0	0	0	109.2
394	L	28.7	Very low	31.5	Very low	129 Å²	129	148 Å²	148	68%	0.675	76%	0.757	S	S	*	*			trans	65.7	119.2	163.9	-98.3	68.2	0	0	0	120.5
395	K	26.9	Very low	30.5	Very low	170 Å²	170	147.9 Å²	147.9	74%	0.739	76%	0.758	S	S	*	*			trans	67.1	155.3	137.3	-64.7	172.4	-177.7	-174.9	0	118.1
396	H	28.5	Very low	29.6	Very low	147 Å²	147	143.8 Å²	143.8	68%	0.681	75%	0.752	S	S	*	*			cis	-149.3	175.1	-4	-129.7	-58.7	0	0	0	111.3
397	R	27.3	Very low	29.4	Very low	216 Å²	216	141.2 Å²	141.2	82%	0.815	75%	0.747	S	S	*	*			trans	-13.5	155.3	148.8	-83.2	-172.1	166.1	163.1	-6.6	117.3
398	S	27.4	Very low	29.5	Very low	81 Å²	81	141.3 Å²	141.3	57%	0.566	74%	0.743	S	S	*	*			cis	142	143.4	-10.3	61.4	0	0	0	0	109.3
399	F	26.8	Very low	29.6	Very low	195 Å²	195	137.4 Å²	137.4	86%	0.855	73%	0.732	S	S	*	*			trans	78.8	145.6	152.6	-93.6	-125.4	0	0	0	122.1
400	I	33.2	Very low	30.1	Very low	149 Å²	149	139 Å²	139	76%	0.764	73%	0.728	S	S	*	*			trans	93.6	148.9	150.4	-72.6	160.1	0	0	0	120.6
401	D	29.1	Very low	30.1	Very low	150 Å²	150	141.3 Å²	141.3	80%	0.802	73%	0.727	S	S	*	*			trans	-62.5	173.6	-167.4	-51.9	-91.9	0	0	0	118
402	G	28.6	Very low	30.3	Very low	64 Å²	64	139.5 Å²	139.5	66%	0.66	72%	0.719	S	S	*	*				141.9	89.5	118.8	0	0	0	0	0	120.3
403	V	32.8	Very low	30.5	Very low	127 Å²	127	134.2 Å²	134.2	77%	0.77	71%	0.708	S	S	*	*				56.8	110.6	122	177.4	0	0	0	0	120.3
404	K	32.5	Very low	31.1	Very low	170 Å²	170	135.7 Å²	135.7	74%	0.739	70%	0.704	S	S	*	*			trans	74.5	133.2	141.2	-74.5	174.7	171.5	-164.3	0	123.6
405	Q	32	Very low	31.1	Very low	157 Å²	157	137.2 Å²	137.2	73%	0.734	71%	0.713	S	S	*	*			trans	66.9	160.8	139.4	-65.3	176	-92.1	0	0	116.9
406	A	29.7	Very low	31.6	Very low	72 Å²	72	137.6 Å²	137.6	60%	0.595	72%	0.717	S	S	*	*			cis	-149.1	158.3	11.5	0	0	0	0	0	112.2
407	D	31.6	Very low	31.8	Very low	134 Å²	134	139.6 Å²	139.6	72%	0.717	73%	0.727	S	S	*	*				54.8	159.1	125	-53.1	-6.2	0	0	0	120.8
408	T	35.2	Very low	32.1	Very low	109 Å²	109	137.5 Å²	137.5	67%	0.669	73%	0.726	S	S	*	*			cis	-158.4	171.9	5.9	-8.6	0	0	0	0	113.6
409	D	32.2	Very low	33.2	Very low	134 Å²	134	137.8 Å²	137.8	72%	0.717	73%	0.726	S	S	*	*			trans	72.9	157.5	141.6	-69.1	-29.5	0	0	0	123.3
410	V	37.1	Very low	33.2	Very low	108 Å²	108	134.4 Å²	134.4	66%	0.655	72%	0.722	S	S	*	*			cis	-167.8	-170.1	-39.9	86.2	0	0	0	0	110.6
411	F	28.4	Very low	33	Very low	172 Å²	172	132.1 Å²	132.1	75%	0.754	72%	0.719	S	S	*	*			trans	93.5	105.6	174.8	-70.7	-86.5	0	0	0	115.1
412	K	32.6	Very low	32.9	Very low	144 Å²	144	131.8 Å²	131.8	63%	0.626	72%	0.723	S	S	*	*			cis	110.1	153.6	48.6	-96.6	-151.2	173.8	-141.5	0	108.7	E414	K412-E414 VanDerWaalsContact CE-OE1 3.27Å; K412-E414 WeakPolarHBondContact CE-OE1 3.28Å; K412-E414 IonicContact NZ-OE1 3.87Å; K412-E414 PolarHBondContact NZ-OE1 3.05Å; K412-E414 IonicContact NZ-OE2 2.94Å; K412-E414 PolarHBondContact NZ-OE2 3.39Å
413	S	35.2	Very low	32.8	Very low	91 Å²	91	133.1 Å²	133.1	64%	0.636	73%	0.727	S	S	*	*			cis	-148.8	137.1	10.9	42.9	0	0	0	0	108.7
414	E	37.1	Very low	32.7	Very low	131 Å²	131	135.4 Å²	135.4	61%	0.612	73%	0.734	S	S	*	*				73.6	146	96.6	-55.9	157.7	154.7	0	0	112.4	K412	K412-E414 VanDerWaalsContact CE-OE1 3.27Å; K412-E414 WeakPolarHBondContact CE-OE1 3.28Å; K412-E414 IonicContact NZ-OE1 3.87Å; K412-E414 PolarHBondContact NZ-OE1 3.05Å; K412-E414 IonicContact NZ-OE2 2.94Å; K412-E414 PolarHBondContact NZ-OE2 3.39Å
415	D	29.5	Very low	32.6	Very low	161 Å²	161	138.8 Å²	138.8	86%	0.861	74%	0.742	S	S	*	*			cis	-124.7	176.5	27.5	-68.7	-56.3	0	0	0	116.2
416	E	36.6	Very low	32.7	Very low	177 Å²	177	139.8 Å²	139.8	83%	0.827	75%	0.747	S	S	*	*			trans	-129.3	167.6	-175.7	-91.9	-91.4	-177.9	0	0	110.7
417	E	34	Very low	32.7	Very low	190 Å²	190	142.3 Å²	142.3	89%	0.888	75%	0.75	S	S	*	*				171.8	151.6	127.5	-95.3	-173.8	-177.2	0	0	114.3
418	E	32.1	Very low	32.8	Very low	171 Å²	171	143.7 Å²	143.7	80%	0.799	76%	0.757	S	S	*	*			trans	-146.5	-177.9	-177.3	-125.7	-160.9	-165.4	0	0	107.8
419	P	51.1	Low	32.5	Very low	88 Å²	88	146 Å²	146	57%	0.571	77%	0.765	S	S	*	*			cis	-135	-179.5	-19.3	23.8	0.4	0	0	0	114.8
420	T	27.8	Very low	32.3	Very low	124 Å²	124	143.1 Å²	143.1	76%	0.761	77%	0.767	S	S	*	*				141.7	124.3	125.9	55.9	0	0	0	0	117.7
421	S	28.7	Very low	31.9	Very low	101 Å²	101	145.2 Å²	145.2	71%	0.706	78%	0.78	S	S	*	*			trans	44.8	114.3	150.8	61.2	0	0	0	0	122.1
422	T	25.3	Very low	31.7	Very low	143 Å²	143	147 Å²	147	88%	0.877	78%	0.783	S	S	*	*				-177.5	166.6	104.8	25.3	0	0	0	0	113.6
423	A	26.8	Very low	31.4	Very low	91 Å²	91	148.4 Å²	148.4	75%	0.752	79%	0.792	S	S	*	*			trans	60.6	89.1	155.7	0	0	0	0	0	121.1
424	L	30.4	Very low	32	Very low	176 Å²	176	149.1 Å²	149.1	92%	0.921	79%	0.794	S	S	*	*				27.4	135.8	129.9	-71	165.6	0	0	0	122.3
425	R	31.7	Very low	31.4	Very low	240 Å²	240	148.4 Å²	148.4	91%	0.906	80%	0.803	S	S	*	*			trans	-71.1	151.7	166	-62.5	173.5	173.7	173.2	-4.3	113.2
426	Q	33.1	Very low	31.5	Very low	178 Å²	178	150.3 Å²	150.3	83%	0.832	80%	0.804	S	S	*	*			trans	-127.6	163.6	154.7	-66.2	179.3	-16.2	0	0	107.5
427	N	30.8	Very low	31.5	Very low	125 Å²	125	147.6 Å²	147.6	67%	0.668	80%	0.802	S	S	*	*			cis	-156.1	130.7	-36.8	-98.1	-16.7	0	0	0	104.2
428	L	33.3	Very low	31.1	Very low	163 Å²	163	143.2 Å²	143.2	85%	0.853	80%	0.799	S	S	*	*				83.9	136.8	61.7	-90.5	175.8	0	0	0	115.5
429	N	27.9	Very low	30.9	Very low	159 Å²	159	143.2 Å²	143.2	85%	0.85	80%	0.799	S	S	*	*			trans	-85.7	134	177.9	-66.6	-23.1	0	0	0	112.2
430	G	28	Very low	29.8	Very low	73 Å²	73	141.9 Å²	141.9	75%	0.753	80%	0.795	S	S	*	*			trans	68.3	179	132.3	0	0	0	0	0	122.4
431	V	28.7	Very low	29.8	Very low	152 Å²	152	147.2 Å²	147.2	92%	0.921	80%	0.801	S	S	*	*			trans	85.8	152	171.5	-168.4	0	0	0	0	116.9
432	Y	24.9	Very low	29.8	Very low	209 Å²	209	147.1 Å²	147.1	82%	0.82	80%	0.8	S	S	*	*			trans	-97	155.6	-162.8	-90.2	-116.2	0	0	0	115.1
433	Q	25.7	Very low	30.1	Very low	174 Å²	174	150.1 Å²	150.1	81%	0.813	80%	0.796	S	S	*	*			trans	65.2	164.6	149.5	-78.7	-174.2	-6.6	0	0	119.5
434	P	49	Very low	30.2	Very low	106 Å²	106	153.6 Å²	153.6	69%	0.688	79%	0.794	S	S	*	*			cis	-137.9	-167.5	-41.9	39.9	-23.3	0	0	0	113.6
435	S	24.2	Very low	30.3	Very low	115 Å²	115	153.3 Å²	153.3	80%	0.804	79%	0.788	S	S	*	*			trans	93.5	149.8	157.4	79	0	0	0	0	120.8
436	F	30.3	Very low	30.3	Very low	201 Å²	201	152.2 Å²	152.2	88%	0.882	78%	0.784	S	S	*	*			trans	-101.1	164.9	-178.6	-63.8	-97.6	0	0	0	111.6
437	P	37.7	Very low	30.3	Very low	121 Å²	121	151.8 Å²	151.8	79%	0.786	79%	0.786	S	S	*	*				-149.2	170.8	94.4	39.5	-23.1	0	0	0	116.4
438	A	26.3	Very low	30.7	Very low	98 Å²	98	151.7 Å²	151.7	81%	0.81	78%	0.784	S	S	*	*			trans	26.8	150.2	146.2	0	0	0	0	0	121.9
439	E	27.9	Very low	30.5	Very low	170 Å²	170	149.3 Å²	149.3	79%	0.794	78%	0.781	S	S	*	*			cis	-155.6	-177.7	8	-138.4	-146.5	-54.3	0	0	107.2
440	A	26.8	Very low	30.9	Very low	60 Å²	60	148 Å²	148	50%	0.496	77%	0.773	S	S	.	*			cis	-160.9	160.7	11.9	0	0	0	0	0	112.5
441	R	27.3	Very low	31.1	Very low	236 Å²	236	153.1 Å²	153.1	89%	0.891	78%	0.777	S	S	*	*			trans	63.6	145.1	153.5	-67.2	163.4	-167.2	-170.9	3.1	118.5
442	S	30.1	Very low	31.4	Very low	99 Å²	99	154.5 Å²	154.5	69%	0.692	77%	0.773	S	S	*	*			cis	-164.4	145.8	-13.3	174.1	0	0	0	0	111.3
443	R	31.7	Very low	31.7	Very low	206 Å²	206	151.2 Å²	151.2	78%	0.777	77%	0.77	S	S	*	*			trans	4.6	140.2	151.7	-95.1	173.1	-179.6	158.4	1.4	118.5
444	F	29.3	Very low	31.9	Very low	165 Å²	165	151.2 Å²	151.2	72%	0.724	77%	0.769	S	S	*	*				-169.5	157.1	72.1	-82.6	-70.4	0	0	0	109.8
445	Q	31.8	Very low	31.2	Very low	169 Å²	169	154 Å²	154	79%	0.79	78%	0.778	S	S	*	*			cis	-158.5	175.5	-12.3	-166.3	157.8	-6.4	0	0	109.2
446	R	31.9	Very low	32.5	Very low	218 Å²	218	153 Å²	153	82%	0.823	77%	0.768	S	S	*	*			trans	-83.7	158	179.9	-56.6	170.9	179.8	155.3	-5.6	113.1
447	I	32.8	Very low	32.5	Very low	169 Å²	169	152.6 Å²	152.6	87%	0.867	76%	0.762	S	S	*	*			trans	-127.6	126.4	136.8	-61.8	-178.8	0	0	0	107.9
448	I	39.8	Very low	32.2	Very low	123 Å²	123	153.9 Å²	153.9	63%	0.631	76%	0.762	S	S	*	*			trans	-149.8	131.5	164.5	-45.4	176.4	0	0	0	107.2	I450	I448-I450 HydrophobicContact CG2-CG1 3.99Å
449	S	28	Very low	32.3	Very low	113 Å²	113	155.7 Å²	155.7	79%	0.79	76%	0.757	S	S	*	*			trans	-133.9	118.1	153.3	-57.6	0	0	0	0	104.4
450	I	37.6	Very low	32.2	Very low	132 Å²	132	154.7 Å²	154.7	68%	0.677	76%	0.757	S	S	*	*			cis	74.4	142.6	42.8	-49.2	176.9	0	0	0	111.6	I448	I448-I450 HydrophobicContact CG2-CG1 3.99Å
451	E	31.4	Very low	32.2	Very low	179 Å²	179	156.6 Å²	156.6	84%	0.836	77%	0.767	S	S	*	*			trans	84.1	92.3	-169.8	-61.9	159.7	-149	0	0	111.2
452	E	36	Very low	32.2	Very low	181 Å²	181	148.7 Å²	148.7	85%	0.846	76%	0.759	S	S	*	*				71.5	122.1	62.7	-65.3	-161.1	137	0	0	114.5
453	D	29.4	Very low	32.3	Very low	140 Å²	140	152.4 Å²	152.4	75%	0.749	77%	0.77	S	S	*	*			trans	-164.4	120.9	140.1	-109.7	-5.7	0	0	0	114.3
454	H	30.4	Very low	32.3	Very low	174 Å²	174	147.5 Å²	147.5	81%	0.806	77%	0.774	S	S	*	*			trans	42.9	110.3	150.2	-51.6	-25.2	0	0	0	125.1
455	L	33.9	Very low	32.5	Very low	165 Å²	165	147.9 Å²	147.9	86%	0.864	78%	0.778	S	S	*	*			trans	-85	-172.4	147	-90.6	151.8	0	0	0	110.5
456	P	51.8	Low	32.8	Very low	93 Å²	93	147.9 Å²	147.9	60%	0.604	78%	0.783	S	S	*	*			cis	-139.7	-166.1	-3.3	20.7	8.3	0	0	0	116.2
457	Y	29.9	Very low	32.7	Very low	194 Å²	194	142.2 Å²	142.2	76%	0.761	78%	0.783	S	S	*	*			trans	77.9	147.5	165	-67.4	-79.2	0	0	0	117.8	L459	Y457-L459 HydrophobicContact CD1-CD1 4.4Å
458	L	31.2	Very low	32.8	Very low	148 Å²	148	142.2 Å²	142.2	78%	0.775	78%	0.784	S	S	*	*			cis	-123.2	145.4	15.1	-72.6	164	0	0	0	111.5
459	L	28.2	Very low	32.6	Very low	136 Å²	136	144.9 Å²	144.9	71%	0.712	79%	0.793	S	S	*	*				43.3	130.8	89.1	-65.1	173	0	0	0	114.1	Y457	Y457-L459 HydrophobicContact CD1-CD1 4.4Å
460	N	26.9	Very low	32.9	Very low	149 Å²	149	147.4 Å²	147.4	80%	0.797	80%	0.796	S	S	*	*			cis	-165.2	166.7	23.9	-167.3	15.9	0	0	0	113.3
461	S	26.2	Very low	32.4	Very low	99 Å²	99	147.7 Å²	147.7	69%	0.692	81%	0.809	S	S	*	*			trans	48.1	92.1	148.4	-173	0	0	0	0	121.7
462	G	28.4	Very low	32.4	Very low	70 Å²	70	143.5 Å²	143.5	72%	0.722	80%	0.804	S	S	*	*				67	110.8	111	0	0	0	0	0	121.7
463	L	32.2	Very low	32.2	Very low	177 Å²	177	143.9 Å²	143.9	93%	0.927	81%	0.806	S	S	*	*			trans	-164.1	87.9	131.5	-106.7	172.5	0	0	0	109
464	A	30.7	Very low	32.2	Very low	104 Å²	104	143.8 Å²	143.8	86%	0.86	81%	0.81	S	S	*	*			trans	-132.7	53.4	-178.2	0	0	0	0	0	111.4
465	Q	34.4	Very low	32.1	Very low	172 Å²	172	144.8 Å²	144.8	80%	0.804	82%	0.816	S	S	*	*			trans	-129.6	156.9	164.4	-73.3	-179.9	-24.3	0	0	107.5
466	N	36.7	Very low	32	Very low	170 Å²	170	142.9 Å²	142.9	91%	0.909	81%	0.811	S	S	*	*	S	Bend	trans	76.4	50.9	-173.4	-50	-16.8	0	0	0	115.8
467	A	31	Very low	30.9	Very low	98 Å²	98	147.7 Å²	147.7	81%	0.81	83%	0.825	S	S	*	*			trans	-135.1	23.7	161.1	0	0	0	0	0	112.8
468	L	35.3	Very low	31.1	Very low	169 Å²	169	146.2 Å²	146.2	89%	0.885	83%	0.83	S	S	*	*	S	Bend	trans	-137	62.1	176.9	-82	175.8	0	0	0	110.9
469	Q	35.4	Very low	31	Very low	179 Å²	179	147.1 Å²	147.1	84%	0.836	84%	0.835	S	S	*	*	S	Bend	trans	-151.5	150.9	162.2	-156.5	79.1	35.2	0	0	106.3
470	I	33.3	Very low	31.2	Very low	166 Å²	166	148 Å²	148	85%	0.851	84%	0.841	S	S	*	*	S	Bend	trans	69.5	62.4	-173.9	-39.3	169.9	0	0	0	113.2
471	C	27.7	Very low	31.5	Very low	139 Å²	139	149.5 Å²	149.5	94%	0.939	84%	0.843	S	S	*	*			trans	-157	50.7	159.2	-111.2	0	0	0	0	110.1
472	A	32	Very low	31.8	Very low	90 Å²	90	152.1 Å²	152.1	74%	0.744	85%	0.849	S	S	*	*			trans	-160.8	82.9	179.4	0	0	0	0	0	111.2
473	E	30.9	Very low	31.9	Very low	190 Å²	190	152.6 Å²	152.6	89%	0.888	85%	0.854	S	S	*	*			trans	-177.1	160.8	153.6	-105.5	160.2	-147	0	0	109
474	V	30.6	Very low	32	Very low	138 Å²	138	150.6 Å²	150.6	84%	0.836	85%	0.849	S	S	*	*			trans	69.3	62.1	-176.3	-158.5	0	0	0	0	115.5
475	E	27.7	Very low	31.9	Very low	195 Å²	195	153.4 Å²	153.4	91%	0.911	85%	0.85	S	S	*	*			trans	-109.8	102.4	144.1	-82.5	-167.2	156.7	0	0	109
476	T	31	Very low	31.8	Very low	125 Å²	125	151 Å²	151	77%	0.767	85%	0.847	S	S	*	*			trans	-161.1	144.1	158.2	33.9	0	0	0	0	110.8
477	Q	29.2	Very low	31.5	Very low	193 Å²	193	151.9 Å²	151.9	90%	0.902	85%	0.847	S	S	*	*			trans	82.3	103.5	170.8	-65.5	172.6	-11.8	0	0	116.4
478	L	33.3	Very low	31.4	Very low	163 Å²	163	151.9 Å²	151.9	85%	0.853	84%	0.841	S	S	*	*			trans	-73	153	151.3	-59.9	161.7	0	0	0	108.8
479	D	30.3	Very low	31	Very low	167 Å²	167	152 Å²	152	89%	0.893	84%	0.838	S	S	*	*			trans	-154.2	149.8	135.5	-93	-34.5	0	0	0	107.2
480	D	31.2	Very low	30.6	Very low	156 Å²	156	151.3 Å²	151.3	83%	0.834	84%	0.839	S	S	*	*			trans	-84	148.4	-175.5	-60.6	-79.2	0	0	0	112.6
481	E	33.8	Very low	30.4	Very low	180 Å²	180	151.8 Å²	151.8	84%	0.841	84%	0.837	S	S	*	*				179.1	160.8	114.9	-99.1	-174.2	167.4	0	0	113.8
482	D	32.7	Very low	30.3	Very low	153 Å²	153	156.8 Å²	156.8	82%	0.818	84%	0.836	S	S	*	*			trans	43.2	110.6	163.1	-77	-0.5	0	0	0	121.5
483	G	31.6	Very low	30.2	Very low	81 Å²	81	161.7 Å²	161.7	84%	0.835	85%	0.846	S	S	*	*			trans	-91.5	136.8	157.8	0	0	0	0	0	112.3
484	V	33.9	Very low	29.9	Very low	135 Å²	135	158 Å²	158	82%	0.818	84%	0.842	S	S	*	*			trans	-122.4	123.2	163	-82.1	0	0	0	0	109.8
485	D	28.5	Very low	29.7	Very low	163 Å²	163	156.8 Å²	156.8	87%	0.872	84%	0.839	S	S	*	*			trans	-80	127.4	-175.7	-169.8	5.3	0	0	0	111
486	V	31.6	Very low	29.8	Very low	122 Å²	122	153.5 Å²	153.5	74%	0.739	83%	0.834	S	S	*	*			trans	-143.9	80.8	-175.3	-172.8	0	0	0	0	110.3
487	M	30.5	Very low	29.7	Very low	187 Å²	187	154.7 Å²	154.7	92%	0.921	84%	0.835	S	S	*	*			trans	-161.7	53.1	158.8	-105	-83.8	-88.9	0	0	113.9
488	S	29.3	Very low	29.6	Very low	98 Å²	98	151.1 Å²	151.1	69%	0.685	83%	0.828	S	S	*	*			trans	-144.9	145.7	150.5	-150.7	0	0	0	0	107.6
489	E	26.1	Very low	29.1	Very low	172 Å²	172	151.4 Å²	151.4	80%	0.804	83%	0.825	S	S	*	*			cis	-142.7	126.2	23.2	-157.9	131.6	127.9	0	0	112.6
490	L	27.6	Very low	28.9	Very low	164 Å²	164	153 Å²	153	86%	0.859	83%	0.827	S	S	*	*			trans	-103.2	99.7	166.2	-118.5	172.3	0	0	0	107.9
491	H	29.8	Very low	28.4	Very low	176 Å²	176	154.3 Å²	154.3	82%	0.815	83%	0.828	S	S	*	*			trans	170.7	112.6	146.1	-98.3	90.6	0	0	0	112.3
492	R	25.6	Very low	28.6	Very low	244 Å²	244	151 Å²	151	92%	0.921	82%	0.822	S	S	*	*			trans	-171.4	122.8	138.9	-108.2	167.1	-159.3	-173.6	8.3	111.5
493	M	29.3	Very low	28.2	Very low	193 Å²	193	153.4 Å²	153.4	95%	0.951	83%	0.828	S	S	*	*			trans	-115.3	119.7	162.4	-64.2	-157.9	84.9	0	0	109.6
494	S	24.6	Very low	27.9	Very low	114 Å²	114	157.1 Å²	157.1	80%	0.797	82%	0.824	S	S	*	*			trans	-169.1	124.3	155.9	38.8	0	0	0	0	111
495	S	25.8	Very low	27.5	Very low	111 Å²	111	157.8 Å²	157.8	78%	0.776	82%	0.818	S	S	*	*			trans	-76.8	166.6	171.7	-38.7	0	0	0	0	110.9
496	P	29.9	Very low	27.3	Very low	126 Å²	126	159.4 Å²	159.4	82%	0.818	82%	0.821	S	S	*	*				-142.6	-179.8	77.9	36.8	-18.6	0	0	0	115.5
497	I	28.7	Very low	27.4	Very low	151 Å²	151	161.3 Å²	161.3	77%	0.774	83%	0.825	S	S	*	*			trans	-106	146.6	-176.2	-62.7	159.6	0	0	0	110
498	P	27.8	Very low	27.3	Very low	117 Å²	117	157.8 Å²	157.8	76%	0.76	82%	0.816	S	S	*	*				-126.1	122.9	126.1	4.2	17.2	0	0	0	110.5
499	E	23.2	Very low	27.2	Very low	169 Å²	169	159 Å²	159	79%	0.79	82%	0.82	S	S	*	*				69.9	95.2	85.2	-72.6	-166	158.5	0	0	115.1
500	Q	25	Very low	27.4	Very low	200 Å²	200	156.1 Å²	156.1	94%	0.935	82%	0.818	S	S	*	*				-164.1	158.9	114.2	-102.1	164.8	28.1	0	0	112.1
501	Q	22.2	Very low	27.8	Very low	185 Å²	185	154 Å²	154	86%	0.864	82%	0.815	S	S	*	*			trans	-143.6	176.5	-171.7	-82.1	-174	-10.5	0	0	108
502	P	37.6	Very low	28	Very low	110 Å²	110	157.1 Å²	157.1	71%	0.714	82%	0.819	S	S	*	*			cis	-128.8	-179.4	-34.8	35.3	-19.7	0	0	0	111.5
503	E	22.8	Very low	28.2	Very low	203 Å²	203	149 Å²	149	95%	0.949	81%	0.812	S	S	*	*			trans	-153.2	166.7	146.4	-129	167.8	-143.8	0	0	111.3
504	E	25.3	Very low	28.5	Very low	160 Å²	160	148.4 Å²	148.4	75%	0.748	81%	0.807	S	S	*	*			trans	-109.4	153.2	-153.7	-83.4	-160.4	92.1	0	0	117.3
505	Q	26	Very low	29.2	Very low	149 Å²	149	149.2 Å²	149.2	70%	0.696	81%	0.809	S	S	*	*			trans	51.9	114.2	148.2	-64.3	172.1	42.2	0	0	120.6
506	Q	24.6	Very low	29.6	Very low	196 Å²	196	150.8 Å²	150.8	92%	0.916	81%	0.814	S	S	*	*				-169.1	154.7	119.7	-107.2	157.5	75.9	0	0	114
507	I	32.8	Very low	29.9	Very low	163 Å²	163	148 Å²	148	84%	0.836	81%	0.807	S	S	*	*			trans	-104.2	139.5	175.3	-62.1	163.7	0	0	0	109.1
508	P	30.2	Very low	30.4	Very low	113 Å²	113	150.5 Å²	150.5	73%	0.734	81%	0.812	S	S	*	*			trans	-133	117.9	144	21.5	-1.7	0	0	0	114.2
509	T	25.6	Very low	30.7	Very low	123 Å²	123	154.3 Å²	154.3	76%	0.755	82%	0.82	S	S	*	*			trans	14.8	130.4	140.6	53.8	0	0	0	0	121
510	S	31.3	Very low	31.3	Very low	111 Å²	111	151 Å²	151	78%	0.776	81%	0.812	S	S	*	*			trans	-63.2	147.7	163.4	175	0	0	0	0	114.1	R512	S510-R512 PolarHBondContact OG-N 3Å
511	P	36.6	Very low	31.8	Very low	121 Å²	121	148.2 Å²	148.2	79%	0.786	81%	0.808	S	S	*	*			trans	-112.7	95.6	147.5	34.5	-25.8	0	0	0	112.1	G513	P511-G513 PolarHBondContact O-N 3.37Å; P511-G513 VanDerWaalsContact O-N 3.09Å
512	R	32.2	Very low	32.6	Very low	241 Å²	241	147 Å²	147	91%	0.909	81%	0.806	S	S	*	*			trans	-5.8	93.3	150.6	-171.6	-178.4	-170.5	170.1	2.8	116	S510	S510-R512 PolarHBondContact OG-N 3Å
513	G	30.8	Very low	32.4	Very low	74 Å²	74	149 Å²	149	76%	0.763	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-74.2	139.8	174.6	0	0	0	0	0	113.6	P511	P511-G513 PolarHBondContact O-N 3.37Å; P511-G513 VanDerWaalsContact O-N 3.09Å
514	Q	36.2	Very low	33.2	Very low	180 Å²	180	148.6 Å²	148.6	84%	0.841	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-82.9	148.6	166.7	-64.8	170.5	-82.5	0	0	109.8	V516	Q514-V516 PolarHBondContact O-N 2.92Å
515	P	39.5	Very low	33.8	Very low	131 Å²	131	149.6 Å²	149.6	85%	0.851	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-68.2	125.1	171.9	28.7	-33	0	0	0	110.1
516	V	34.2	Very low	34.5	Very low	144 Å²	144	148.2 Å²	148.2	87%	0.873	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-81	121.1	176.6	179.6	0	0	0	0	108.9	Q514	Q514-V516 PolarHBondContact O-N 2.92Å
517	G	34.9	Very low	35.3	Very low	66 Å²	66	145.4 Å²	145.4	68%	0.68	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-72.8	156.9	177.7	0	0	0	0	0	112.8
518	K	40.7	Very low	36.1	Very low	204 Å²	204	143.2 Å²	143.2	89%	0.887	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-92.6	122.6	168.4	-65.8	178.8	-178.8	175.9	0	109.1
519	E	32.8	Very low	37.6	Very low	197 Å²	197	141.7 Å²	141.7	92%	0.921	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-84.3	126	166.5	-63	-177.1	151.9	0	0	108.7
520	T	36.8	Very low	39.9	Very low	101 Å²	101	139.8 Å²	139.8	62%	0.62	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-98.1	143.9	171.9	41.9	0	0	0	0	110.8
521	T	35.3	Very low	42.3	Very low	140 Å²	140	137.1 Å²	137.1	86%	0.859	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-75.2	148.9	-170.4	43.6	0	0	0	0	113.2
522	I	39.2	Very low	44.7	Very low	159 Å²	159	136.3 Å²	136.3	82%	0.815	77%	0.771	S	S	*	*			trans	-119.4	137.4	169.2	-57.6	178.5	0	0	0	107.4
523	N	32.7	Very low	47.5	Very low	152 Å²	152	126.5 Å²	126.5	81%	0.813	73%	0.734	S	S	*	*			trans	-65.5	154.3	177.9	-73.9	-11	0	0	0	111.9	E525	N523-E525 PolarHBondContact O-N 3.47Å
524	E	40.3	Very low	50.4	Low	196 Å²	196	127.5 Å²	127.5	92%	0.916	72%	0.721	S	S	*	*	S	Bend	trans	-67.3	112.6	178	-59.5	-178.3	125.3	0	0	112
525	E	37.6	Very low	53.3	Low	181 Å²	181	119.3 Å²	119.3	85%	0.846	68%	0.683	S	S	*	*	S	Bend		-168.8	148.3	118.5	-106	-173.4	175.4	0	0	111.3	N523	N523-E525 PolarHBondContact O-N 3.47Å
526	S	39.8	Very low	55.9	Low	119 Å²	119	114.4 Å²	114.4	83%	0.832	65%	0.648	S	S	*	*	S	Bend	trans	66.4	140.8	-171.5	78.9	0	0	0	0	116.3
527	V	41.5	Very low	58.8	Low	138 Å²	138	107.6 Å²	107.6	84%	0.836	61%	0.606	S	S	*	*			trans	-76.3	123.8	176.3	178.5	0	0	0	0	108.8	S529	V527-S529 PolarHBondContact O-N 3.2Å; V527-S529 VanDerWaalsContact O-N 3.14Å
528	P	50.9	Low	61.6	Low	117 Å²	117	104.4 Å²	104.4	76%	0.76	57%	0.574	S	S	*	*			trans	-67.4	115.2	175.6	27	-32.8	0	0	0	109.7
529	S	60.3	Low	64.1	Low	81 Å²	81	94.7 Å²	94.7	57%	0.566	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-59.4	145.4	162.6	44.8	0	0	0	0	109.5	V527	V527-S529 PolarHBondContact O-N 3.2Å; V527-S529 VanDerWaalsContact O-N 3.14Å
530	A	74.5	Confident	66.9	Low	83 Å²	83	85.3 Å²	85.3	69%	0.686	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-55.4	137.7	172	0	0	0	0	0	109.3	D532	A530-D532 PolarHBondContact O-N 3.27Å
531	P	82.1	Confident	69.6	Low	55 Å²	55	80.5 Å²	80.5	36%	0.357	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-63.1	136.7	-174.9	26.4	-34.9	0	0	0	110.6	R533 T575 Q582 A584	P531-R533 PolarHBondContact O-N 3.33Å; P531-T575 HydrophobicContact CB-CG2 4.38Å; P531-Q582 CarbonylContact C-O 3.53Å; P531-Q582 HydrophobicContact CB-CB 4.46Å; P531-A584 HydrophobicContact CB-CB 3.79Å; P531-A584 HydrophobicContact CG-CB 3.77Å
532	D	86.2	Confident	72.2	Confident	103 Å²	103	75.9 Å²	75.9	55%	0.551	43%	0.428	S	S	*	.	S	Bend	trans	-62.2	-30.3	-179.4	-54.3	-52.5	0	0	0	111.7	A530 S581 Q582	A530-D532 PolarHBondContact O-N 3.27Å; D532-S581 WeakPolarHBondContact CB-OG 3.4Å; D532-S581 WeakPolarHBondContact OD2-CA 3.45Å; D532-S581 WeakPolarHBondContact OD2-CB 3.46Å; D532-S581 PolarHBondContact OD2-OG 3.49Å; D532-Q582 PolarHBondContact N-O 3.44Å; D532-Q582 PolarHBondContact OD2-N 2.95Å
533	R	90.6	Very high	74.6	Confident	36 Å²	36	70.6 Å²	70.6	14%	0.136	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	148.7	-173.4	-57.9	177.7	-166.8	-123.8	11.1	110.9	P531 F535 Q582 A584 K696 E699 D700	P531-R533 PolarHBondContact O-N 3.33Å; R533-F535 HydrophobicContact CB-CE2 4.12Å; R533-F535 HydrophobicContact CB-CZ 4.16Å; R533-Q582 PolarHBondContact N-O 3.11Å; R533-A584 PolarHBondContact O-N 3.08Å; R533-K696 PolarHBondContact NH1-O 3.16Å; R533-E699 WeakPolarHBondContact CD-OE2 3.39Å; R533-E699 IonicContact CZ-OE2 2.65Å; R533-E699 IonicContact NE-OE2 2.66Å; R533-E699 IonicContact NH1-OE2 3.17Å; R533-E699 PolarHBondContact NH1-OE2 3.09Å; R533-D700 IonicContact CZ-OD1 2.73Å; R533-D700 IonicContact CZ-OD2 3.82Å; R533-D700 IonicContact NH1-OD1 3.6Å; R533-D700 PolarHBondContact NH1-OD1 3.34Å; R533-D700 IonicContact NH1-OD2 2.71Å; R533-D700 PolarHBondContact NH1-OD2 3.5Å; R533-D700 IonicContact NH2-OD1 3.85Å; R533-D700 PolarHBondContact NH2-OD1 2.87Å; R533-D700 IonicContact NH2-OD2 3.3Å; R533-D700 PolarHBondContact NH2-OD2 2.95Å
534	L	93.1	Very high	77.3	Confident	95 Å²	95	68 Å²	68	50%	0.497	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	119	-179.8	-177	69.8	0	0	0	108.1	A584 Q586	L534-A584 WeakPolarHBondContact CA-O 3.18Å; L534-A584 HydrophobicContact CD1-CB 3.58Å; L534-Q586 HydrophobicContact CD1-CG 3.75Å; L534-Q586 HydrophobicContact CG-CG 4.26Å
535	F	95.8	Very high	79.8	Confident	8 Å²	8	58.7 Å²	58.7	4%	0.035	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	133.9	-179.4	-62.7	-55.6	0	0	0	111.9	R533 V583 A584 L585 Q586 D608 L695 K696 E699	R533-F535 HydrophobicContact CB-CE2 4.12Å; R533-F535 HydrophobicContact CB-CZ 4.16Å; F535-V583 HydrophobicContact CD2-CG1 3.52Å; F535-V583 HydrophobicContact CE2-CG1 3.79Å; F535-A584 PolarHBondContact N-O 3.26Å; F535-L585 HydrophobicContact CB-CD2 4.22Å; F535-Q586 PolarHBondContact O-N 2.87Å; F535-D608 WeakPolarHBondContact CA-OD2 3.45Å; F535-D608 HydrophobicContact CB-CB 4.3Å; F535-D608 HydrophobicContact CD1-CB 4.14Å; F535-L695 HydrophobicContact CB-CD1 4Å; F535-L695 HydrophobicContact CD1-CB 4.23Å; F535-L695 HydrophobicContact CD2-CB 3.65Å; F535-L695 HydrophobicContact CD2-CD1 4.28Å; F535-L695 HydrophobicContact CE1-CB 4.29Å; F535-L695 HydrophobicContact CE2-CB 3.73Å; F535-L695 HydrophobicContact CG-CB 3.93Å; F535-L695 HydrophobicContact CG-CD1 4.21Å; F535-L695 HydrophobicContact CZ-CB 4.06Å; F535-K696 HydrophobicContact CE2-CB 4.34Å; F535-E699 HydrophobicContact CE1-CB 4.04Å; F535-E699 HydrophobicContact CE1-CG 4.2Å; F535-E699 HydrophobicContact CZ-CB 4.06Å
536	K	94.6	Very high	82.5	Confident	28 Å²	28	50.7 Å²	50.7	12%	0.122	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	113.5	174.4	173.5	167.5	160.3	-157.2	0	111.2	V538 W588 F603 R605 K606 D608 G609	K536-V538 HydrophobicContact CG-CG2 4.43Å; K536-W588 HydrophobicContact CD-CZ2 4.46Å; K536-F603 WeakPolarHBondContact CE-O 3.34Å; K536-F603 PolarHBondContact NZ-O 2.75Å; K536-R605 PolarHBondContact NZ-O 3.02Å; K536-K606 WeakPolarHBondContact CD-O 3.46Å; K536-D608 PolarHBondContact N-OD2 2.88Å; K536-D608 PolarHBondContact O-N 2.96Å; K536-G609 PolarHBondContact O-N 2.98Å; K536-G609 VanDerWaalsContact O-N 3.15Å
537	V	95.3	Very high	85	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	124.2	177.8	179	0	0	0	0	109.9	L539 L585 Q586 L587 W588 G609 I611 L691 L695	V537-L539 HydrophobicContact CG1-CD1 4.39Å; V537-L585 HydrophobicContact CG2-CD2 4.24Å; V537-Q586 PolarHBondContact N-O 3.24Å; V537-L587 HydrophobicContact CB-CD2 4.25Å; V537-L587 HydrophobicContact CG1-CD2 4.46Å; V537-W588 PolarHBondContact O-N 3.35Å; V537-G609 WeakPolarHBondContact CA-O 3.27Å; V537-I611 HydrophobicContact CG1-CD1 3.72Å; V537-I611 HydrophobicContact CG1-CG1 3.84Å; V537-L691 HydrophobicContact CG1-CD2 3.69Å; V537-L691 HydrophobicContact CG2-CD2 3.99Å; V537-L695 HydrophobicContact CG2-CD1 3.82Å
538	V	93.5	Very high	87.5	Confident	0 Å²	0	40 Å²	40	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	129.5	179.2	-172.7	0	0	0	0	110.4	K536 V540 W588 T590 F604 A607 G609 V610 I611	K536-V538 HydrophobicContact CG-CG2 4.43Å; V538-V540 HydrophobicContact CG1-CG1 4.25Å; V538-W588 HydrophobicContact CB-CB 4.48Å; V538-W588 HydrophobicContact CG1-CB 4.31Å; V538-W588 HydrophobicContact CG2-CB 4.22Å; V538-W588 HydrophobicContact CG2-CG 4.42Å; V538-T590 HydrophobicContact CG1-CG2 3.79Å; V538-F604 HydrophobicContact CG1-CD1 4.26Å; V538-F604 HydrophobicContact CG1-CE1 4.06Å; V538-A607 HydrophobicContact CG2-CB 3.86Å; V538-G609 PolarHBondContact N-O 3.26Å; V538-G609 VanDerWaalsContact N-O 3.16Å; V538-V610 HydrophobicContact CB-CG2 4.34Å; V538-V610 WeakPolarHBondContact O-CA 3.36Å; V538-I611 PolarHBondContact O-N 3.04Å
539	L	93.8	Very high	89.6	Confident	0 Å²	0	35 Å²	35	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	126.8	178.9	-70.5	78.8	0	0	0	110.2	V537 K547 L551 L587 W588 T590 I611 M613	V537-L539 HydrophobicContact CG1-CD1 4.39Å; L539-K547 HydrophobicContact CB-CD 4.22Å; L539-K547 HydrophobicContact CD2-CB 4.49Å; L539-L551 HydrophobicContact CD1-CD1 4.18Å; L539-L551 HydrophobicContact CD1-CD2 3.92Å; L539-L551 HydrophobicContact CD1-CG 4.44Å; L539-L551 HydrophobicContact CD2-CD1 3.82Å; L539-L551 HydrophobicContact CD2-CD2 3.73Å; L539-L551 HydrophobicContact CD2-CG 3.63Å; L539-L551 HydrophobicContact CG-CD1 4.49Å; L539-L551 HydrophobicContact CG-CD2 4.5Å; L539-L587 HydrophobicContact CD1-CD2 4.44Å; L539-W588 PolarHBondContact N-O 2.81Å; L539-T590 WeakPolarHBondContact O-CB 3.49Å; L539-T590 VanDerWaalsContact O-CG2 3.29Å; L539-T590 WeakPolarHBondContact O-CG2 3.24Å; L539-T590 PolarHBondContact O-OG1 3.07Å; L539-I611 WeakPolarHBondContact CA-O 3.31Å; L539-I611 HydrophobicContact CD1-CD1 4.46Å; L539-I611 HydrophobicContact CG-CB 4.1Å; L539-I611 HydrophobicContact CG-CD1 4.25Å; L539-I611 HydrophobicContact CG-CG2 4.37Å; L539-M613 HydrophobicContact CD2-CE 4.17Å
540	V	92.4	Very high	91.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	165.7	179.8	-60.2	0	0	0	0	112	V538 T590 T600 F604 V610 I611 V612 M613 W628 V632	V538-V540 HydrophobicContact CG1-CG1 4.25Å; V540-T590 HydrophobicContact CG1-CG2 4.45Å; V540-T600 HydrophobicContact CG1-CG2 4.12Å; V540-F604 HydrophobicContact CG1-CE1 3.56Å; V540-F604 HydrophobicContact CG1-CZ 3.78Å; V540-V610 HydrophobicContact CG2-CG1 3.98Å; V540-I611 PolarHBondContact N-O 3.47Å; V540-V612 HydrophobicContact CG2-CB 4.3Å; V540-V612 HydrophobicContact CG2-CG1 4.36Å; V540-V612 HydrophobicContact CG2-CG2 3.82Å; V540-M613 PolarHBondContact O-N 3.31Å; V540-W628 HydrophobicContact CB-CD2 4.43Å; V540-W628 HydrophobicContact CB-CE3 3.93Å; V540-W628 HydrophobicContact CB-CZ3 4.27Å; V540-W628 HydrophobicContact CG2-CB 4.48Å; V540-W628 HydrophobicContact CG2-CE3 4.34Å; V540-V632 HydrophobicContact CG2-CG2 4.19Å
541	G	91.9	Very high	92.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.162	C	C	.	.			trans	134.1	163.2	-169	0	0	0	0	0	110.6	K547 G592 M613	G541-K547 PolarHBondContact O-NZ 3.29Å; G541-G592 VanDerWaalsContact O-CA 3.26Å; G541-G592 WeakPolarHBondContact O-CA 3.28Å; G541-M613 WeakPolarHBondContact CA-O 3.5Å
542	N	90.6	Very high	92.6	Very high	42 Å²	42	27.3 Å²	27.3	23%	0.225	16%	0.155	C	C	.	.			trans	-58.8	172	-173.1	-69.8	13.3	0	0	0	113.2	V545 G592 A624 W628	N542-V545 HydrophobicContact CB-CG1 4Å; N542-V545 WeakPolarHBondContact O-CG2 3.32Å; N542-G592 CarbonylContact C-O 3.58Å; N542-G592 VanDerWaalsContact C-O 3.23Å; N542-G592 WeakPolarHBondContact CA-O 3.5Å; N542-A624 WeakPolarHBondContact ND2-CB 3.49Å; N542-A624 VanDerWaalsContact OD1-CB 3.22Å; N542-A624 WeakPolarHBondContact OD1-CB 3.35Å; N542-W628 PolarHBondContact OD1-NE1 3.34Å
543	S	89.2	Confident	93	Very high	48 Å²	48	24.5 Å²	24.5	34%	0.336	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	157.8	168.3	-161.6	0	0	0	0	110.8	V545 G592	S543-V545 PolarHBondContact O-N 3.13Å; S543-G592 PolarHBondContact N-O 2.99Å
544	S	89.9	Confident	93.2	Very high	97 Å²	97	23.7 Å²	23.7	68%	0.678	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.2	3.1	179	68.6	0	0	0	0	119.1	G546 K648	S544-G546 PolarHBondContact O-N 2.99Å; S544-K648 WeakPolarHBondContact O-CE 3.47Å; S544-K648 PolarHBondContact O-NZ 3.36Å
545	V	93.5	Very high	93.2	Very high	2 Å²	2	20 Å²	20	1%	0.012	12%	0.116	C	C	.	.	S	Bend	trans	-67.3	-12.9	173.8	-52.2	0	0	0	0	113.7	N542 S543 K547 M613 D615 N647	N542-V545 HydrophobicContact CB-CG1 4Å; N542-V545 WeakPolarHBondContact O-CG2 3.32Å; S543-V545 PolarHBondContact O-N 3.13Å; V545-K547 HydrophobicContact CG2-CD 4.42Å; V545-K547 HydrophobicContact CG2-CG 3.73Å; V545-M613 HydrophobicContact CB-CG 4.49Å; V545-M613 HydrophobicContact CG2-CB 4.09Å; V545-M613 HydrophobicContact CG2-CG 3.95Å; V545-M613 HydrophobicContact CG2-SD 4.08Å; V545-D615 HydrophobicContact CB-CB 4.3Å; V545-D615 HydrophobicContact CG1-CB 4.17Å; V545-N647 PolarHBondContact O-ND2 3.33Å
546	G	92.8	Very high	92.8	Very high	13 Å²	13	22.7 Å²	22.7	13%	0.134	13%	0.131	C	C	.	.			trans	94	27.4	171.4	0	0	0	0	0	116.4	S544 S549 I550	S544-G546 PolarHBondContact O-N 2.99Å; G546-S549 WeakPolarHBondContact O-CB 3.35Å; G546-S549 PolarHBondContact O-N 3.41Å; G546-S549 VanDerWaalsContact O-N 3.13Å; G546-I550 PolarHBondContact O-N 3.2Å
547	K	93.4	Very high	92.6	Very high	9 Å²	9	26.7 Å²	26.7	4%	0.039	15%	0.154	C	C	.	.	H	α-helix	trans	-53.8	-55.3	177.5	-56.2	-166.9	-56.3	-75.9	0	112.5	L539 G541 V545 S549 I550 L551 D589 T590 M613	L539-K547 HydrophobicContact CB-CD 4.22Å; L539-K547 HydrophobicContact CD2-CB 4.49Å; G541-K547 PolarHBondContact O-NZ 3.29Å; V545-K547 HydrophobicContact CG2-CD 4.42Å; V545-K547 HydrophobicContact CG2-CG 3.73Å; K547-S549 VanDerWaalsContact C-N 3.27Å; K547-S549 PolarHBondContact O-N 2.83Å; K547-I550 PolarHBondContact O-N 3.44Å; K547-L551 WeakPolarHBondContact O-CG 3.49Å; K547-L551 PolarHBondContact O-N 3.12Å; K547-D589 WeakPolarHBondContact CB-OD1 3.41Å; K547-T590 WeakPolarHBondContact CE-O 3.46Å; K547-T590 PolarHBondContact NZ-O 3.48Å; K547-M613 HydrophobicContact CB-CE 4.28Å; K547-M613 HydrophobicContact CB-SD 4.29Å; K547-M613 HydrophobicContact CG-CB 4.17Å; K547-M613 HydrophobicContact CG-CE 4.09Å; K547-M613 HydrophobicContact CG-SD 3.8Å
548	T	93.1	Very high	92.2	Very high	23 Å²	23	34.6 Å²	34.6	14%	0.141	18%	0.184	C	C	.	.	H	α-helix	trans	-55	-40.4	173.7	-32.1	0	0	0	0	112.3	L551 Q552 T563 T566 D589	T548-L551 PolarHBondContact O-N 3.5Å; T548-Q552 WeakPolarHBondContact O-CG 3.32Å; T548-Q552 PolarHBondContact O-N 2.85Å; T548-T563 HydrophobicContact CG2-CG2 4.32Å; T548-T566 PolarHBondContact OG1-OG1 3.37Å; T548-D589 VanDerWaalsContact CB-OD2 3.31Å; T548-D589 WeakPolarHBondContact CB-OD2 3.34Å; T548-D589 WeakPolarHBondContact CG2-OD2 3.42Å; T548-D589 PolarHBondContact OG1-OD2 3.34Å
549	S	94.4	Very high	91.9	Very high	12 Å²	12	37.8 Å²	37.8	8%	0.084	20%	0.198	C	C	.	.	H	α-helix	trans	-70.3	-36.2	-179.9	-41.2	0	0	0	0	112.4	G546 K547 R553 T563	G546-S549 WeakPolarHBondContact O-CB 3.35Å; G546-S549 PolarHBondContact O-N 3.41Å; G546-S549 VanDerWaalsContact O-N 3.13Å; K547-S549 VanDerWaalsContact C-N 3.27Å; K547-S549 PolarHBondContact O-N 2.83Å; S549-R553 VanDerWaalsContact O-CB 3.29Å; S549-R553 WeakPolarHBondContact O-CB 3.37Å; S549-R553 PolarHBondContact O-N 3.38Å; S549-T563 PolarHBondContact OG-OG1 3.22Å
550	I	95.1	Very high	91.5	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-66.1	-38.8	170.6	-83.5	-166.2	0	0	0	110.9	G546 K547 R553 F554 M613 L645 N647 C676 A678 V684 M688	G546-I550 PolarHBondContact O-N 3.2Å; K547-I550 PolarHBondContact O-N 3.44Å; I550-R553 PolarHBondContact O-N 2.97Å; I550-F554 WeakPolarHBondContact O-CB 3.44Å; I550-F554 PolarHBondContact O-N 3.48Å; I550-M613 HydrophobicContact CB-CE 4.02Å; I550-M613 HydrophobicContact CD1-CE 3.7Å; I550-M613 HydrophobicContact CD1-SD 4.01Å; I550-M613 HydrophobicContact CG1-CE 4.23Å; I550-M613 HydrophobicContact CG1-SD 4.49Å; I550-M613 HydrophobicContact CG2-CE 4.09Å; I550-L645 HydrophobicContact CD1-CD1 4.41Å; I550-N647 HydrophobicContact CD1-CB 4.15Å; I550-C676 HydrophobicContact CD1-CB 4.1Å; I550-A678 HydrophobicContact CG1-CB 3.83Å; I550-V684 HydrophobicContact CG1-CG2 4.45Å; I550-V684 HydrophobicContact CG2-CG1 4.26Å; I550-M688 HydrophobicContact CG2-CE 3.76Å
551	L	94	Very high	90.9	Very high	9 Å²	9	47.2 Å²	47.2	5%	0.047	25%	0.251	C	S	.	.	H	α-helix	trans	-67.8	-45.4	177.3	-70.5	172.7	0	0	0	112.6	L539 K547 T548 R553 F554 C555 L587 D589 M688	L539-L551 HydrophobicContact CD1-CD1 4.18Å; L539-L551 HydrophobicContact CD1-CD2 3.92Å; L539-L551 HydrophobicContact CD1-CG 4.44Å; L539-L551 HydrophobicContact CD2-CD1 3.82Å; L539-L551 HydrophobicContact CD2-CD2 3.73Å; L539-L551 HydrophobicContact CD2-CG 3.63Å; L539-L551 HydrophobicContact CG-CD1 4.49Å; L539-L551 HydrophobicContact CG-CD2 4.5Å; K547-L551 WeakPolarHBondContact O-CG 3.49Å; K547-L551 PolarHBondContact O-N 3.12Å; T548-L551 PolarHBondContact O-N 3.5Å; L551-R553 VanDerWaalsContact C-N 3.3Å; L551-R553 PolarHBondContact O-N 3.01Å; L551-F554 PolarHBondContact O-N 3.48Å; L551-F554 VanDerWaalsContact O-N 3.14Å; L551-C555 VanDerWaalsContact O-CB 3.32Å; L551-C555 WeakPolarHBondContact O-CB 3.32Å; L551-C555 PolarHBondContact O-N 3.42Å; L551-C555 PolarHBondContact O-SG 2.97Å; L551-L587 HydrophobicContact CD2-CB 3.69Å; L551-L587 HydrophobicContact CD2-CD1 3.76Å; L551-L587 HydrophobicContact CD2-CD2 4.14Å; L551-L587 HydrophobicContact CD2-CG 4.06Å; L551-D589 HydrophobicContact CD1-CB 3.5Å; L551-M688 HydrophobicContact CD2-CE 4.45Å
552	Q	92.4	Very high	90.2	Very high	47 Å²	47	50.8 Å²	50.8	22%	0.22	29%	0.288	C	S	.	.	H	α-helix	trans	-60.7	-39.5	173.2	-71.6	176.1	4.2	0	0	111.8	T548 F554 D556 D557 R558 H560	T548-Q552 WeakPolarHBondContact O-CG 3.32Å; T548-Q552 PolarHBondContact O-N 2.85Å; Q552-F554 VanDerWaalsContact C-N 3.35Å; Q552-F554 PolarHBondContact O-N 3Å; Q552-D556 PolarHBondContact O-N 2.64Å; Q552-D557 PolarHBondContact O-N 2.71Å; Q552-R558 CarbonylContact C-O 3.56Å; Q552-H560 PolarHBondContact OE1-ND1 3.19Å
553	R	94.5	Very high	89.7	Confident	44 Å²	44	51.2 Å²	51.2	17%	0.166	29%	0.292	C	S	.	.	H	α-helix	trans	-66	-33.7	174.2	177.2	58.3	76.1	-172.8	4.7	112.7	S549 I550 L551 D557 R558 A678 C679 V684	S549-R553 VanDerWaalsContact O-CB 3.29Å; S549-R553 WeakPolarHBondContact O-CB 3.37Å; S549-R553 PolarHBondContact O-N 3.38Å; I550-R553 PolarHBondContact O-N 2.97Å; L551-R553 VanDerWaalsContact C-N 3.3Å; L551-R553 PolarHBondContact O-N 3.01Å; R553-D557 WeakPolarHBondContact CD-OD1 3.32Å; R553-D557 IonicContact CZ-OD1 3.2Å; R553-D557 IonicContact NE-OD1 3.96Å; R553-D557 PolarHBondContact NH1-O 2.83Å; R553-D557 IonicContact NH1-OD1 2.65Å; R553-D557 PolarHBondContact NH1-OD1 3.45Å; R553-D557 WeakPolarHBondContact O-CA 3.27Å; R553-D557 PolarHBondContact O-N 3.25Å; R553-R558 WeakPolarHBondContact CA-O 3.35Å; R553-R558 PolarHBondContact N-O 2.91Å; R553-A678 PolarHBondContact NE-O 3.01Å; R553-C679 PolarHBondContact NH2-O 3.44Å; R553-V684 HydrophobicContact CB-CG1 4.39Å; R553-V684 HydrophobicContact CG-CB 4.22Å; R553-V684 HydrophobicContact CG-CG1 4.02Å; R553-V684 HydrophobicContact CG-CG2 4.12Å
554	F	94.6	Very high	89.2	Confident	20 Å²	20	54.3 Å²	54.3	9%	0.088	31%	0.312	C	S	.	.	H	α-helix	trans	-81.7	-35.4	177.7	-177.6	-116.8	0	0	0	113.6	I550 L551 Q552 K574 I576 L585 L587 V684 M688	I550-F554 WeakPolarHBondContact O-CB 3.44Å; I550-F554 PolarHBondContact O-N 3.48Å; L551-F554 PolarHBondContact O-N 3.48Å; L551-F554 VanDerWaalsContact O-N 3.14Å; Q552-F554 VanDerWaalsContact C-N 3.35Å; Q552-F554 PolarHBondContact O-N 3Å; F554-K574 HydrophobicContact CD1-CB 4.25Å; F554-K574 HydrophobicContact CD1-CG 4.16Å; F554-K574 HydrophobicContact CE1-CB 3.77Å; F554-K574 HydrophobicContact CE1-CG 3.69Å; F554-K574 HydrophobicContact CZ-CG 4.08Å; F554-K574 WeakPolarHBondContact O-CE 3.33Å; F554-I576 HydrophobicContact CE2-CG2 4.36Å; F554-I576 HydrophobicContact CZ-CD1 4.35Å; F554-I576 HydrophobicContact CZ-CG2 3.83Å; F554-L585 HydrophobicContact CE1-CD1 4.21Å; F554-L585 HydrophobicContact CZ-CD1 4.33Å; F554-L587 HydrophobicContact CD1-CD1 3.68Å; F554-L587 HydrophobicContact CE1-CD1 3.9Å; F554-V684 HydrophobicContact CB-CG1 3.98Å; F554-M688 HydrophobicContact CD1-CB 4.49Å; F554-M688 HydrophobicContact CD1-CG 4.06Å; F554-M688 HydrophobicContact CD2-CB 3.93Å; F554-M688 HydrophobicContact CD2-CG 3.78Å; F554-M688 HydrophobicContact CE1-CB 4.05Å; F554-M688 HydrophobicContact CE1-CG 4.09Å; F554-M688 HydrophobicContact CE2-CB 3.45Å; F554-M688 VanDerWaalsContact CE2-CB 3.45Å; F554-M688 HydrophobicContact CE2-CG 3.84Å; F554-M688 HydrophobicContact CG-CB 4.43Å; F554-M688 HydrophobicContact CG-CG 3.91Å; F554-M688 HydrophobicContact CZ-CB 3.51Å; F554-M688 HydrophobicContact CZ-CG 3.99Å
555	C	91.7	Very high	88.9	Confident	16 Å²	16	53.2 Å²	53.2	11%	0.108	31%	0.31	C	S	.	.	H	α-helix	trans	-81.8	-49.9	-178.5	-69.9	0	0	0	0	112.5	L551 K574	L551-C555 VanDerWaalsContact O-CB 3.32Å; L551-C555 WeakPolarHBondContact O-CB 3.32Å; L551-C555 PolarHBondContact O-N 3.42Å; L551-C555 PolarHBondContact O-SG 2.97Å; C555-K574 PolarHBondContact O-NZ 3.43Å
556	D	89.1	Confident	88.3	Confident	65 Å²	65	54.7 Å²	54.7	35%	0.348	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-2.8	-167.1	-52	-45.6	0	0	0	113.7	Q552 R558	Q552-D556 PolarHBondContact O-N 2.64Å; D556-R558 HydrophobicContact CB-CB 4.44Å; D556-R558 PolarHBondContact O-N 2.85Å
557	D	88.9	Confident	87.6	Confident	113 Å²	113	60.6 Å²	60.6	60%	0.604	35%	0.352	S	S	*	.	S	Bend	trans	48.4	41.8	-167.4	-161.4	19.9	0	0	0	114.2	Q552 R553	Q552-D557 PolarHBondContact O-N 2.71Å; R553-D557 WeakPolarHBondContact CD-OD1 3.32Å; R553-D557 IonicContact CZ-OD1 3.2Å; R553-D557 IonicContact NE-OD1 3.96Å; R553-D557 PolarHBondContact NH1-O 2.83Å; R553-D557 IonicContact NH1-OD1 2.65Å; R553-D557 PolarHBondContact NH1-OD1 3.45Å; R553-D557 WeakPolarHBondContact O-CA 3.27Å; R553-D557 PolarHBondContact O-N 3.25Å
558	R	86.9	Confident	86.8	Confident	165 Å²	165	62 Å²	62	62%	0.623	37%	0.368	S	S	*	.			trans	-127.4	148.2	179.4	-69.3	174.2	-169.4	-147.6	0.8	111.7	Q552 R553 D556	Q552-R558 CarbonylContact C-O 3.56Å; R553-R558 WeakPolarHBondContact CA-O 3.35Å; R553-R558 PolarHBondContact N-O 2.91Å; D556-R558 HydrophobicContact CB-CB 4.44Å; D556-R558 PolarHBondContact O-N 2.85Å
559	F	88.6	Confident	86.4	Confident	68 Å²	68	63.2 Å²	63.2	30%	0.298	37%	0.374	S	S	.	.			trans	-123.9	122.5	171.9	175.1	-101.2	0	0	0	109.3	P561 A678 C679	F559-P561 HydrophobicContact CE1-CB 4.11Å; F559-P561 WeakPolarHBondContact O-CD 3.35Å; F559-A678 HydrophobicContact CD2-CB 4.07Å; F559-A678 WeakPolarHBondContact CD2-O 3.41Å; F559-A678 HydrophobicContact CE2-CB 4.18Å; F559-C679 HydrophobicContact CD1-CB 4.38Å; F559-C679 HydrophobicContact CD2-CB 4.46Å; F559-C679 HydrophobicContact CE1-CB 4.15Å; F559-C679 HydrophobicContact CE2-CB 4.24Å; F559-C679 HydrophobicContact CZ-CB 4.07Å
560	H	84.6	Confident	86.1	Confident	87 Å²	87	67 Å²	67	40%	0.403	39%	0.393	S	S	.	.			trans	-105.5	103.3	178.7	-57.8	104.5	0	0	0	109.5	Q552 T563	Q552-H560 PolarHBondContact OE1-ND1 3.19Å; H560-T563 PolarHBondContact O-N 3.2Å; H560-T563 PolarHBondContact O-OG1 3.02Å
561	P	79.6	Confident	85.8	Confident	110 Å²	110	71.8 Å²	71.8	71%	0.714	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	140	176.3	26.7	-34	0	0	0	110.2	F559	F559-P561 HydrophobicContact CE1-CB 4.11Å; F559-P561 WeakPolarHBondContact O-CD 3.35Å
562	G	77.2	Confident	85.6	Confident	75 Å²	75	73.1 Å²	73.1	77%	0.773	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	30.5	-176.8	0	0	0	0	0	114.6	C564	G562-C564 PolarHBondContact O-N 3.08Å
563	T	80.5	Confident	85.7	Confident	52 Å²	52	74.2 Å²	74.2	32%	0.319	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-52.7	122.2	174.1	-34.5	0	0	0	0	110.9	T548 S549 H560	T548-T563 HydrophobicContact CG2-CG2 4.32Å; S549-T563 PolarHBondContact OG-OG1 3.22Å; H560-T563 PolarHBondContact O-N 3.2Å; H560-T563 PolarHBondContact O-OG1 3.02Å
564	C	79.4	Confident	85.6	Confident	112 Å²	112	75.4 Å²	75.4	76%	0.757	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-61.8	156.8	176.1	-65.8	0	0	0	0	112	G562 T566	G562-C564 PolarHBondContact O-N 3.08Å; C564-T566 PolarHBondContact O-N 2.87Å
565	A	83.1	Confident	85.6	Confident	75 Å²	75	77.7 Å²	77.7	62%	0.62	45%	0.454	S	S	*	.	P	Polyproline II helix	trans	-64.8	124.8	176.6	0	0	0	0	0	111.4	V567	A565-V567 PolarHBondContact O-N 2.91Å
566	T	79.6	Confident	85.7	Confident	33 Å²	33	78 Å²	78	20%	0.202	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-57.2	123	177.6	-35	0	0	0	0	110.7	T548 C564 D589 A591	T548-T566 PolarHBondContact OG1-OG1 3.37Å; C564-T566 PolarHBondContact O-N 2.87Å; T566-D589 PolarHBondContact OG1-OD2 2.75Å; T566-A591 WeakPolarHBondContact O-CB 3.45Å
567	V	79.1	Confident	85.8	Confident	136 Å²	136	79 Å²	79	82%	0.824	46%	0.463	S	S	*	.			trans	-96.7	114.3	174.7	-179.7	0	0	0	0	108.4	A565	A565-V567 PolarHBondContact O-N 2.91Å
568	G	77.2	Confident	85.9	Confident	38 Å²	38	73.7 Å²	73.7	39%	0.392	43%	0.434	S	S	.	.	S	Bend	trans	81.8	-126.1	-176.2	0	0	0	0	0	112.8	A591	G568-A591 WeakPolarHBondContact O-CB 3.5Å; G568-A591 PolarHBondContact O-N 3.35Å
569	I	84.3	Confident	85.9	Confident	50 Å²	50	69.8 Å²	69.8	26%	0.256	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	135.2	-176	-68.3	-169.6	0	0	0	108.3	W588 D589 T590 F603	I569-W588 HydrophobicContact CG2-CE3 3.89Å; I569-D589 VanDerWaalsContact CA-O 3.25Å; I569-D589 WeakPolarHBondContact CA-O 3.44Å; I569-D589 VanDerWaalsContact CG2-O 3.3Å; I569-D589 WeakPolarHBondContact CG2-O 3.46Å; I569-T590 HydrophobicContact CD1-CG2 4.06Å; I569-T590 HydrophobicContact CG1-CG2 4.38Å; I569-F603 HydrophobicContact CD1-CB 4.38Å; I569-F603 HydrophobicContact CD1-CD1 3.95Å; I569-F603 HydrophobicContact CD1-CD2 3.25Å; I569-F603 HydrophobicContact CD1-CE1 4.02Å; I569-F603 HydrophobicContact CD1-CE2 3.34Å; I569-F603 HydrophobicContact CD1-CG 3.58Å; I569-F603 HydrophobicContact CD1-CZ 3.74Å; I569-F603 HydrophobicContact CG1-CE2 4.49Å
570	D	87.3	Confident	85.8	Confident	91 Å²	91	74.5 Å²	74.5	49%	0.487	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	157.8	176.5	-158.9	1	0	0	0	110.6	W588 D589	D570-W588 WeakPolarHBondContact O-CA 3.46Å; D570-D589 HydrophobicContact CB-CB 4.16Å; D570-D589 PolarHBondContact N-O 2.76Å; D570-D589 PolarHBondContact O-N 2.99Å
571	Y	88.5	Confident	86	Confident	101 Å²	101	71 Å²	71	40%	0.396	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	126.4	-172.7	172.5	-93.3	0	0	0	110.8	V573 Q586 W588	Y571-V573 HydrophobicContact CE1-CG2 3.58Å; Y571-V573 HydrophobicContact CE2-CG2 4.42Å; Y571-V573 VanDerWaalsContact CZ-CG2 3.49Å; Y571-V573 WeakPolarHBondContact OH-CG2 3.39Å; Y571-Q586 HydrophobicContact CE2-CB 3.96Å; Y571-Q586 HydrophobicContact CE2-CG 4.08Å; Y571-Q586 PolarHBondContact OH-NE2 3.25Å; Y571-W588 HydrophobicContact CD2-CD2 4.02Å; Y571-W588 AromaticContact CD2-CE2 3.64Å; Y571-W588 HydrophobicContact CD2-CE3 4.44Å; Y571-W588 HydrophobicContact CD2-CH2 4.21Å; Y571-W588 AromaticContact CD2-CZ2 3.76Å; Y571-W588 HydrophobicContact CD2-CZ2 3.76Å; Y571-W588 AromaticContact CD2-NE1 3.91Å; Y571-W588 AromaticContact CE2-CE2 3.91Å; Y571-W588 AromaticContact CE2-CZ2 3.87Å; Y571-W588 HydrophobicContact CE2-CZ2 3.87Å; Y571-W588 AromaticContact CE2-NE1 3.94Å
572	S	91.6	Very high	86.6	Confident	37 Å²	37	68.6 Å²	68.6	26%	0.259	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	152	175.7	-65.7	0	0	0	0	110.6	L587	S572-L587 PolarHBondContact N-O 3.04Å; S572-L587 PolarHBondContact O-N 2.84Å
573	V	93	Very high	87.4	Confident	71 Å²	71	65 Å²	65	43%	0.43	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.3	172.1	-172.7	0	0	0	0	109.2	Y571 A584 L585 Q586	Y571-V573 HydrophobicContact CE1-CG2 3.58Å; Y571-V573 HydrophobicContact CE2-CG2 4.42Å; Y571-V573 VanDerWaalsContact CZ-CG2 3.49Å; Y571-V573 WeakPolarHBondContact OH-CG2 3.39Å; V573-A584 HydrophobicContact CG1-CB 4.32Å; V573-L585 WeakPolarHBondContact CA-O 3.43Å; V573-Q586 HydrophobicContact CG2-CG 4.4Å
574	K	93.7	Very high	88.1	Confident	68 Å²	68	62.6 Å²	62.6	30%	0.296	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	118.1	173.9	-168.3	67.3	167.8	-173.9	0	109.6	F554 C555 I576 L585 L587	F554-K574 HydrophobicContact CD1-CB 4.25Å; F554-K574 HydrophobicContact CD1-CG 4.16Å; F554-K574 HydrophobicContact CE1-CB 3.77Å; F554-K574 HydrophobicContact CE1-CG 3.69Å; F554-K574 HydrophobicContact CZ-CG 4.08Å; F554-K574 WeakPolarHBondContact O-CE 3.33Å; C555-K574 PolarHBondContact O-NZ 3.43Å; K574-I576 HydrophobicContact CG-CG2 4.31Å; K574-L585 PolarHBondContact N-O 2.94Å; K574-L585 PolarHBondContact O-N 3.36Å; K574-L587 HydrophobicContact CB-CD1 4.21Å
575	T	93.1	Very high	88.9	Confident	69 Å²	69	57.3 Å²	57.3	42%	0.423	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	130.7	170.7	-52.5	0	0	0	0	109.4	P531 Q582 V583	P531-T575 HydrophobicContact CB-CG2 4.38Å; T575-Q582 HydrophobicContact CG2-CB 4.19Å; T575-V583 WeakPolarHBondContact CA-O 3.3Å
576	I	93.6	Very high	89.4	Confident	22 Å²	22	55.7 Å²	55.7	11%	0.113	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	144.2	175.9	50.8	164.8	0	0	0	110.4	F554 K574 V578 V583 L585 V689 A692	F554-I576 HydrophobicContact CE2-CG2 4.36Å; F554-I576 HydrophobicContact CZ-CD1 4.35Å; F554-I576 HydrophobicContact CZ-CG2 3.83Å; K574-I576 HydrophobicContact CG-CG2 4.31Å; I576-V578 HydrophobicContact CD1-CG2 3.74Å; I576-V578 HydrophobicContact CG1-CG2 3.94Å; I576-V583 PolarHBondContact N-O 3.43Å; I576-V583 PolarHBondContact O-N 3.38Å; I576-L585 HydrophobicContact CD1-CD1 3.95Å; I576-L585 HydrophobicContact CD1-CG 4.42Å; I576-V689 HydrophobicContact CD1-CG2 3.98Å; I576-A692 HydrophobicContact CD1-CB 3.72Å
577	T	92.2	Very high	90.2	Very high	86 Å²	86	54.1 Å²	54.1	53%	0.528	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	115.9	176.6	-46.1	0	0	0	0	109.8	S581 Q582	T577-S581 CarbonylContact C-O 3.1Å; T577-S581 WeakPolarHBondContact CA-O 3.4Å; T577-Q582 VanDerWaalsContact OG1-CD 3.3Å; T577-Q582 PolarHBondContact OG1-NE2 3.01Å; T577-Q582 PolarHBondContact OG1-OE1 3.33Å
578	V	91.9	Very high	90.8	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.006	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	110.8	-176.7	-174.8	0	0	0	0	109	I576 N580 S581 V583 A692 R693 K696	I576-V578 HydrophobicContact CD1-CG2 3.74Å; I576-V578 HydrophobicContact CG1-CG2 3.94Å; V578-N580 PolarHBondContact O-N 2.98Å; V578-S581 PolarHBondContact N-O 3.18Å; V578-S581 PolarHBondContact O-N 3.48Å; V578-V583 HydrophobicContact CB-CG2 4.11Å; V578-V583 HydrophobicContact CG2-CB 4.36Å; V578-V583 HydrophobicContact CG2-CG2 4.29Å; V578-A692 HydrophobicContact CG2-CB 3.89Å; V578-R693 HydrophobicContact CG1-CB 3.92Å; V578-K696 PolarHBondContact O-NZ 3.41Å
579	D	86.9	Confident	91.5	Very high	83 Å²	83	48.4 Å²	48.4	44%	0.444	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	62.6	-178.1	-43.3	-49	0	0	0	112	S581 R693 K696	D579-S581 PolarHBondContact O-N 3.47Å; D579-R693 IonicContact OD1-CZ 3.73Å; D579-R693 IonicContact OD1-NE 3.52Å; D579-R693 PolarHBondContact OD1-NE 2.97Å; D579-R693 IonicContact OD1-NH2 3.6Å; D579-R693 PolarHBondContact OD1-NH2 2.91Å; D579-R693 IonicContact OD2-CZ 2.68Å; D579-R693 IonicContact OD2-NE 3.21Å; D579-R693 PolarHBondContact OD2-NE 3.3Å; D579-R693 IonicContact OD2-NH2 3.96Å; D579-R693 PolarHBondContact OD2-NH2 3.12Å; D579-K696 PolarHBondContact O-NZ 2.84Å
580	N	84.8	Confident	91.7	Very high	167 Å²	167	46.1 Å²	46.1	89%	0.893	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	24.6	179.3	-57.6	-15.4	0	0	0	116	V578	V578-N580 PolarHBondContact O-N 2.98Å
581	S	88.8	Confident	91.4	Very high	15 Å²	15	42 Å²	42	11%	0.105	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.6	175	178	0	0	0	0	110.2	D532 T577 V578 D579	D532-S581 WeakPolarHBondContact CB-OG 3.4Å; D532-S581 WeakPolarHBondContact OD2-CA 3.45Å; D532-S581 WeakPolarHBondContact OD2-CB 3.46Å; D532-S581 PolarHBondContact OD2-OG 3.49Å; T577-S581 CarbonylContact C-O 3.1Å; T577-S581 WeakPolarHBondContact CA-O 3.4Å; V578-S581 PolarHBondContact N-O 3.18Å; V578-S581 PolarHBondContact O-N 3.48Å; D579-S581 PolarHBondContact O-N 3.47Å
582	Q	92.3	Very high	90.2	Very high	58 Å²	58	37.5 Å²	37.5	27%	0.271	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	114.2	177.4	-64.7	-66.2	16.2	0	0	110.4	P531 D532 R533 T575 T577	P531-Q582 CarbonylContact C-O 3.53Å; P531-Q582 HydrophobicContact CB-CB 4.46Å; D532-Q582 PolarHBondContact N-O 3.44Å; D532-Q582 PolarHBondContact OD2-N 2.95Å; R533-Q582 PolarHBondContact N-O 3.11Å; T575-Q582 HydrophobicContact CG2-CB 4.19Å; T577-Q582 VanDerWaalsContact OG1-CD 3.3Å; T577-Q582 PolarHBondContact OG1-NE2 3.01Å; T577-Q582 PolarHBondContact OG1-OE1 3.33Å
583	V	94.9	Very high	89.1	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	118.6	-178.7	-178.7	0	0	0	0	109.2	F535 T575 I576 V578 L585 A692	F535-V583 HydrophobicContact CD2-CG1 3.52Å; F535-V583 HydrophobicContact CE2-CG1 3.79Å; T575-V583 WeakPolarHBondContact CA-O 3.3Å; I576-V583 PolarHBondContact N-O 3.43Å; I576-V583 PolarHBondContact O-N 3.38Å; V578-V583 HydrophobicContact CB-CG2 4.11Å; V578-V583 HydrophobicContact CG2-CB 4.36Å; V578-V583 HydrophobicContact CG2-CG2 4.29Å; V583-L585 HydrophobicContact CG1-CD2 4.18Å; V583-A692 HydrophobicContact CG1-CB 4.35Å
584	A	94.8	Very high	87.6	Confident	2 Å²	2	40 Å²	40	2%	0.017	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	119.6	172.2	0	0	0	0	0	110.6	P531 R533 L534 F535 V573	P531-A584 HydrophobicContact CB-CB 3.79Å; P531-A584 HydrophobicContact CG-CB 3.77Å; R533-A584 PolarHBondContact O-N 3.08Å; L534-A584 WeakPolarHBondContact CA-O 3.18Å; L534-A584 HydrophobicContact CD1-CB 3.58Å; F535-A584 PolarHBondContact N-O 3.26Å; V573-A584 HydrophobicContact CG1-CB 4.32Å
585	L	95.9	Very high	86.1	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	118.2	171.5	-60.7	-177.5	0	0	0	109.5	F535 V537 F554 V573 K574 I576 V583 L587 A692	F535-L585 HydrophobicContact CB-CD2 4.22Å; V537-L585 HydrophobicContact CG2-CD2 4.24Å; F554-L585 HydrophobicContact CE1-CD1 4.21Å; F554-L585 HydrophobicContact CZ-CD1 4.33Å; V573-L585 WeakPolarHBondContact CA-O 3.43Å; K574-L585 PolarHBondContact N-O 2.94Å; K574-L585 PolarHBondContact O-N 3.36Å; I576-L585 HydrophobicContact CD1-CD1 3.95Å; I576-L585 HydrophobicContact CD1-CG 4.42Å; V583-L585 HydrophobicContact CG1-CD2 4.18Å; L585-L587 HydrophobicContact CB-CD2 4Å; L585-L587 HydrophobicContact CB-CG 4.13Å; L585-L587 HydrophobicContact CD1-CD2 4.43Å; L585-A692 HydrophobicContact CD1-CB 4.35Å; L585-A692 HydrophobicContact CD2-CB 4.06Å
586	Q	95.2	Very high	84.6	Confident	42 Å²	42	45.5 Å²	45.5	20%	0.196	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	108	163.5	-66.5	-173.2	-18.8	0	0	108.4	L534 F535 V537 Y571 V573	L534-Q586 HydrophobicContact CD1-CG 3.75Å; L534-Q586 HydrophobicContact CG-CG 4.26Å; F535-Q586 PolarHBondContact O-N 2.87Å; V537-Q586 PolarHBondContact N-O 3.24Å; Y571-Q586 HydrophobicContact CE2-CB 3.96Å; Y571-Q586 HydrophobicContact CE2-CG 4.08Å; Y571-Q586 PolarHBondContact OH-NE2 3.25Å; V573-Q586 HydrophobicContact CG2-CG 4.4Å
587	L	94.5	Very high	83.3	Confident	0 Å²	0	47 Å²	47	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118	-174	-58.8	164.9	0	0	0	109.1	V537 L539 L551 F554 S572 K574 L585 M688	V537-L587 HydrophobicContact CB-CD2 4.25Å; V537-L587 HydrophobicContact CG1-CD2 4.46Å; L539-L587 HydrophobicContact CD1-CD2 4.44Å; L551-L587 HydrophobicContact CD2-CB 3.69Å; L551-L587 HydrophobicContact CD2-CD1 3.76Å; L551-L587 HydrophobicContact CD2-CD2 4.14Å; L551-L587 HydrophobicContact CD2-CG 4.06Å; F554-L587 HydrophobicContact CD1-CD1 3.68Å; F554-L587 HydrophobicContact CE1-CD1 3.9Å; S572-L587 PolarHBondContact N-O 3.04Å; S572-L587 PolarHBondContact O-N 2.84Å; K574-L587 HydrophobicContact CB-CD1 4.21Å; L585-L587 HydrophobicContact CB-CD2 4Å; L585-L587 HydrophobicContact CB-CG 4.13Å; L585-L587 HydrophobicContact CD1-CD2 4.43Å; L587-M688 HydrophobicContact CD2-SD 4.45Å
588	W	92.9	Very high	82.1	Confident	52 Å²	52	47.2 Å²	47.2	20%	0.197	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	107.8	-179.9	-62.7	71.3	0	0	0	109.6	K536 V537 V538 L539 I569 D570 Y571 F603	K536-W588 HydrophobicContact CD-CZ2 4.46Å; V537-W588 PolarHBondContact O-N 3.35Å; V538-W588 HydrophobicContact CB-CB 4.48Å; V538-W588 HydrophobicContact CG1-CB 4.31Å; V538-W588 HydrophobicContact CG2-CB 4.22Å; V538-W588 HydrophobicContact CG2-CG 4.42Å; L539-W588 PolarHBondContact N-O 2.81Å; I569-W588 HydrophobicContact CG2-CE3 3.89Å; D570-W588 WeakPolarHBondContact O-CA 3.46Å; Y571-W588 HydrophobicContact CD2-CD2 4.02Å; Y571-W588 AromaticContact CD2-CE2 3.64Å; Y571-W588 HydrophobicContact CD2-CE3 4.44Å; Y571-W588 HydrophobicContact CD2-CH2 4.21Å; Y571-W588 AromaticContact CD2-CZ2 3.76Å; Y571-W588 HydrophobicContact CD2-CZ2 3.76Å; Y571-W588 AromaticContact CD2-NE1 3.91Å; Y571-W588 AromaticContact CE2-CE2 3.91Å; Y571-W588 AromaticContact CE2-CZ2 3.87Å; Y571-W588 HydrophobicContact CE2-CZ2 3.87Å; Y571-W588 AromaticContact CE2-NE1 3.94Å; W588-F603 AromaticContact CE3-CD1 3.9Å; W588-F603 HydrophobicContact CE3-CD1 3.9Å; W588-F603 HydrophobicContact CE3-CE1 4.37Å; W588-F603 AromaticContact CZ3-CD1 3.81Å; W588-F603 HydrophobicContact CZ3-CD1 3.81Å; W588-F603 AromaticContact CZ3-CE1 3.96Å; W588-F603 HydrophobicContact CZ3-CE1 3.96Å
589	D	91.3	Very high	80.9	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.011	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	132.6	173.3	-167.2	28.2	0	0	0	110.1	K547 T548 L551 T566 I569 D570	K547-D589 WeakPolarHBondContact CB-OD1 3.41Å; T548-D589 VanDerWaalsContact CB-OD2 3.31Å; T548-D589 WeakPolarHBondContact CB-OD2 3.34Å; T548-D589 WeakPolarHBondContact CG2-OD2 3.42Å; T548-D589 PolarHBondContact OG1-OD2 3.34Å; L551-D589 HydrophobicContact CD1-CB 3.5Å; T566-D589 PolarHBondContact OG1-OD2 2.75Å; I569-D589 VanDerWaalsContact CA-O 3.25Å; I569-D589 WeakPolarHBondContact CA-O 3.44Å; I569-D589 VanDerWaalsContact CG2-O 3.3Å; I569-D589 WeakPolarHBondContact CG2-O 3.46Å; D570-D589 HydrophobicContact CB-CB 4.16Å; D570-D589 PolarHBondContact N-O 2.76Å; D570-D589 PolarHBondContact O-N 2.99Å
590	T	88.2	Confident	80.2	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136	-179.9	68.2	0	0	0	0	111.9	V538 L539 V540 K547 I569 G592 T600	V538-T590 HydrophobicContact CG1-CG2 3.79Å; L539-T590 WeakPolarHBondContact O-CB 3.49Å; L539-T590 VanDerWaalsContact O-CG2 3.29Å; L539-T590 WeakPolarHBondContact O-CG2 3.24Å; L539-T590 PolarHBondContact O-OG1 3.07Å; V540-T590 HydrophobicContact CG1-CG2 4.45Å; K547-T590 WeakPolarHBondContact CE-O 3.46Å; K547-T590 PolarHBondContact NZ-O 3.48Å; I569-T590 HydrophobicContact CD1-CG2 4.06Å; I569-T590 HydrophobicContact CG1-CG2 4.38Å; T590-G592 PolarHBondContact O-N 2.89Å; T590-T600 HydrophobicContact CG2-CG2 3.92Å
591	A	80.9	Confident	79.7	Confident	5 Å²	5	43.5 Å²	43.5	4%	0.041	20%	0.204	C	C	.	.			trans	-49.8	112.4	167.4	0	0	0	0	0	109.5	T566 G568 Q593 Y596	T566-A591 WeakPolarHBondContact O-CB 3.45Å; G568-A591 WeakPolarHBondContact O-CB 3.5Å; G568-A591 PolarHBondContact O-N 3.35Å; A591-Q593 PolarHBondContact O-N 3.36Å; A591-Y596 HydrophobicContact CB-CD2 4.01Å
592	G	64.7	Low	79.2	Confident	6 Å²	6	48.9 Å²	48.9	6%	0.062	23%	0.227	C	C	.	.			trans	-71.7	-0.4	-175.8	0	0	0	0	0	114.4	G541 N542 S543 T590 E594	G541-G592 VanDerWaalsContact O-CA 3.26Å; G541-G592 WeakPolarHBondContact O-CA 3.28Å; N542-G592 CarbonylContact C-O 3.58Å; N542-G592 VanDerWaalsContact C-O 3.23Å; N542-G592 WeakPolarHBondContact CA-O 3.5Å; S543-G592 PolarHBondContact N-O 2.99Å; T590-G592 PolarHBondContact O-N 2.89Å; G592-E594 PolarHBondContact O-N 3.34Å
593	Q	67.3	Low	78.7	Confident	56 Å²	56	48.2 Å²	48.2	26%	0.262	22%	0.224	S	C	.	.			trans	-73.7	116.3	179.3	-170.4	172.1	87.3	0	0	110.1	A591 R595 Y596	A591-Q593 PolarHBondContact O-N 3.36Å; Q593-R595 HydrophobicContact CG-CB 4.23Å; Q593-R595 HydrophobicContact CG-CG 4.22Å; Q593-R595 PolarHBondContact O-N 3.31Å; Q593-R595 VanDerWaalsContact OE1-CZ 3.22Å; Q593-Y596 HydrophobicContact CB-CD2 3.96Å; Q593-Y596 HydrophobicContact CB-CE2 4.17Å; Q593-Y596 HydrophobicContact CG-CE2 4.47Å; Q593-Y596 PolarHBondContact O-N 3.01Å; Q593-Y596 VanDerWaalsContact OE1-CE2 3.28Å
594	E	60.9	Low	78.2	Confident	104 Å²	104	48.3 Å²	48.3	49%	0.486	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-46	-29.2	177	63.3	-55.8	123.9	0	0	114.8	G592 Y596 R597	G592-E594 PolarHBondContact O-N 3.34Å; E594-Y596 PolarHBondContact O-N 2.96Å; E594-R597 VanDerWaalsContact O-CB 3.25Å; E594-R597 WeakPolarHBondContact O-CB 3.41Å; E594-R597 PolarHBondContact O-N 3.38Å
595	R	62.7	Low	77.6	Confident	169 Å²	169	57.5 Å²	57.5	64%	0.638	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-60.8	-25	173.6	-57.5	-167.7	-58	178.1	3.2	114.5	Q593	Q593-R595 HydrophobicContact CG-CB 4.23Å; Q593-R595 HydrophobicContact CG-CG 4.22Å; Q593-R595 PolarHBondContact O-N 3.31Å; Q593-R595 VanDerWaalsContact OE1-CZ 3.22Å
596	Y	62.8	Low	77	Confident	85 Å²	85	66 Å²	66	33%	0.333	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-99	8.5	-178.4	-56.1	-54.2	0	0	0	113.9	A591 Q593 E594 S598 I599 T600	A591-Y596 HydrophobicContact CB-CD2 4.01Å; Q593-Y596 HydrophobicContact CB-CD2 3.96Å; Q593-Y596 HydrophobicContact CB-CE2 4.17Å; Q593-Y596 HydrophobicContact CG-CE2 4.47Å; Q593-Y596 PolarHBondContact O-N 3.01Å; Q593-Y596 VanDerWaalsContact OE1-CE2 3.28Å; E594-Y596 PolarHBondContact O-N 2.96Å; Y596-S598 PolarHBondContact O-N 3.06Å; Y596-S598 VanDerWaalsContact O-N 3.13Å; Y596-I599 HydrophobicContact CD1-CD1 3.94Å; Y596-I599 WeakPolarHBondContact O-CA 3.38Å; Y596-I599 VanDerWaalsContact O-CB 3.31Å; Y596-I599 WeakPolarHBondContact O-CB 3.38Å; Y596-I599 PolarHBondContact O-N 2.86Å; Y596-T600 PolarHBondContact O-N 2.8Å; Y596-T600 VanDerWaalsContact O-N 3.07Å; Y596-T600 PolarHBondContact O-OG1 3.23Å
597	R	66.4	Low	76.9	Confident	53 Å²	53	64.4 Å²	64.4	20%	0.2	29%	0.289	C	S	.	.	H	α-helix	trans	-56.3	-31.2	-175.8	-169.8	-179	-163.6	134.2	13.7	114.6	E594 T600 K601 Q627 W628 S631	E594-R597 VanDerWaalsContact O-CB 3.25Å; E594-R597 WeakPolarHBondContact O-CB 3.41Å; E594-R597 PolarHBondContact O-N 3.38Å; R597-T600 WeakPolarHBondContact CA-OG1 3.39Å; R597-T600 PolarHBondContact O-N 3.03Å; R597-K601 PolarHBondContact O-N 3.09Å; R597-Q627 PolarHBondContact NH2-O 3.17Å; R597-W628 HydrophobicContact CG-CZ3 4.38Å; R597-S631 PolarHBondContact NE-OG 3.25Å; R597-S631 PolarHBondContact NH2-OG 2.96Å
598	S	65.4	Low	76.9	Confident	90 Å²	90	67.6 Å²	67.6	63%	0.629	31%	0.306	S	S	*	.	H	α-helix	trans	-66.1	-43.1	172.9	49.2	0	0	0	0	112	Y596 T600 K601	Y596-S598 PolarHBondContact O-N 3.06Å; Y596-S598 VanDerWaalsContact O-N 3.13Å; S598-T600 VanDerWaalsContact C-N 3.31Å; S598-T600 PolarHBondContact O-N 2.97Å; S598-K601 PolarHBondContact O-N 3.24Å
599	I	68.2	Low	76.9	Confident	83 Å²	83	65.1 Å²	65.1	43%	0.426	30%	0.297	S	S	.	.	H	α-helix	trans	-63	-39.7	175	-57.8	175.3	0	0	0	109.9	Y596 K601 Q602 F603	Y596-I599 HydrophobicContact CD1-CD1 3.94Å; Y596-I599 WeakPolarHBondContact O-CA 3.38Å; Y596-I599 VanDerWaalsContact O-CB 3.31Å; Y596-I599 WeakPolarHBondContact O-CB 3.38Å; Y596-I599 PolarHBondContact O-N 2.86Å; I599-K601 VanDerWaalsContact C-N 3.26Å; I599-K601 PolarHBondContact O-N 2.72Å; I599-Q602 WeakPolarHBondContact O-CG 3.44Å; I599-Q602 PolarHBondContact O-N 3.05Å; I599-F603 HydrophobicContact CG2-CE2 3.99Å; I599-F603 VanDerWaalsContact O-CD2 3.23Å; I599-F603 WeakPolarHBondContact O-CD2 3.48Å; I599-F603 WeakPolarHBondContact O-CE2 3.3Å
600	T	70.9	Confident	77.1	Confident	4 Å²	4	65 Å²	65	3%	0.025	30%	0.296	C	S	.	.	H	α-helix	trans	-58.5	-35.6	178.7	-34.3	0	0	0	0	112.8	V540 T590 Y596 R597 S598 Q602 F603 F604	V540-T600 HydrophobicContact CG1-CG2 4.12Å; T590-T600 HydrophobicContact CG2-CG2 3.92Å; Y596-T600 PolarHBondContact O-N 2.8Å; Y596-T600 VanDerWaalsContact O-N 3.07Å; Y596-T600 PolarHBondContact O-OG1 3.23Å; R597-T600 WeakPolarHBondContact CA-OG1 3.39Å; R597-T600 PolarHBondContact O-N 3.03Å; S598-T600 VanDerWaalsContact C-N 3.31Å; S598-T600 PolarHBondContact O-N 2.97Å; T600-Q602 VanDerWaalsContact C-N 3.3Å; T600-Q602 PolarHBondContact O-N 3.19Å; T600-F603 PolarHBondContact O-N 3.42Å; T600-F604 HydrophobicContact CG2-CE1 4.08Å; T600-F604 HydrophobicContact CG2-CE2 4.37Å; T600-F604 HydrophobicContact CG2-CZ 3.66Å
601	K	75.3	Confident	77.4	Confident	86 Å²	86	65 Å²	65	37%	0.374	30%	0.296	S	S	.	.	H	α-helix	trans	-55.6	-39.6	-175.6	-70.2	-167.4	173.3	-169.6	0	113.7	R597 S598 I599 F603 F604 E634	R597-K601 PolarHBondContact O-N 3.09Å; S598-K601 PolarHBondContact O-N 3.24Å; I599-K601 VanDerWaalsContact C-N 3.26Å; I599-K601 PolarHBondContact O-N 2.72Å; K601-F603 PolarHBondContact O-N 2.96Å; K601-F604 PolarHBondContact O-N 3.48Å; K601-E634 WeakPolarHBondContact CE-OE2 3.21Å; K601-E634 IonicContact NZ-OE2 2.71Å; K601-E634 PolarHBondContact NZ-OE2 2.89Å
602	Q	78.2	Confident	78.1	Confident	129 Å²	129	64.7 Å²	64.7	60%	0.603	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.8	-177.2	79.7	-163.8	-0.4	0	0	113.2	I599 T600	I599-Q602 WeakPolarHBondContact O-CG 3.44Å; I599-Q602 PolarHBondContact O-N 3.05Å; T600-Q602 VanDerWaalsContact C-N 3.3Å; T600-Q602 PolarHBondContact O-N 3.19Å
603	F	81.1	Confident	79.6	Confident	44 Å²	44	64.5 Å²	64.5	19%	0.193	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-17.8	179.8	-62.4	-89.3	0	0	0	113.1	K536 I569 W588 I599 T600 K601 R605	K536-F603 WeakPolarHBondContact CE-O 3.34Å; K536-F603 PolarHBondContact NZ-O 2.75Å; I569-F603 HydrophobicContact CD1-CB 4.38Å; I569-F603 HydrophobicContact CD1-CD1 3.95Å; I569-F603 HydrophobicContact CD1-CD2 3.25Å; I569-F603 HydrophobicContact CD1-CE1 4.02Å; I569-F603 HydrophobicContact CD1-CE2 3.34Å; I569-F603 HydrophobicContact CD1-CG 3.58Å; I569-F603 HydrophobicContact CD1-CZ 3.74Å; I569-F603 HydrophobicContact CG1-CE2 4.49Å; W588-F603 AromaticContact CE3-CD1 3.9Å; W588-F603 HydrophobicContact CE3-CD1 3.9Å; W588-F603 HydrophobicContact CE3-CE1 4.37Å; W588-F603 AromaticContact CZ3-CD1 3.81Å; W588-F603 HydrophobicContact CZ3-CD1 3.81Å; W588-F603 AromaticContact CZ3-CE1 3.96Å; W588-F603 HydrophobicContact CZ3-CE1 3.96Å; I599-F603 HydrophobicContact CG2-CE2 3.99Å; I599-F603 VanDerWaalsContact O-CD2 3.23Å; I599-F603 WeakPolarHBondContact O-CD2 3.48Å; I599-F603 WeakPolarHBondContact O-CE2 3.3Å; T600-F603 PolarHBondContact O-N 3.42Å; K601-F603 PolarHBondContact O-N 2.96Å; F603-R605 PolarHBondContact O-N 3.47Å
604	F	83.6	Confident	81	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.009	28%	0.279	C	S	.	.	S	Bend	trans	-69.3	-18.8	171.3	-56.3	-40.3	0	0	0	113.1	V538 V540 T600 K601 K606 A607 V610 S631 V632 T636	V538-F604 HydrophobicContact CG1-CD1 4.26Å; V538-F604 HydrophobicContact CG1-CE1 4.06Å; V540-F604 HydrophobicContact CG1-CE1 3.56Å; V540-F604 HydrophobicContact CG1-CZ 3.78Å; T600-F604 HydrophobicContact CG2-CE1 4.08Å; T600-F604 HydrophobicContact CG2-CE2 4.37Å; T600-F604 HydrophobicContact CG2-CZ 3.66Å; K601-F604 PolarHBondContact O-N 3.48Å; F604-K606 PolarHBondContact O-N 2.96Å; F604-A607 WeakPolarHBondContact O-CB 3.47Å; F604-A607 PolarHBondContact O-N 3.34Å; F604-V610 HydrophobicContact CD1-CG2 4.48Å; F604-S631 WeakPolarHBondContact CD2-O 3.29Å; F604-S631 WeakPolarHBondContact CE2-O 3.46Å; F604-V632 HydrophobicContact CE1-CG2 4.07Å; F604-V632 HydrophobicContact CE2-CG2 4.35Å; F604-V632 HydrophobicContact CZ-CG2 3.94Å; F604-T636 HydrophobicContact CB-CG2 4.17Å
605	R	83.3	Confident	82.7	Confident	194 Å²	194	57.3 Å²	57.3	73%	0.732	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	121.6	175.6	-167.5	175.6	-172.1	179.5	3.2	110	K536 F603 A607	K536-R605 PolarHBondContact NZ-O 3.02Å; F603-R605 PolarHBondContact O-N 3.47Å; R605-A607 VanDerWaalsContact C-N 3.26Å; R605-A607 PolarHBondContact O-N 3.43Å
606	K	84	Confident	84.4	Confident	180 Å²	180	49.2 Å²	49.2	78%	0.783	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	40	-171.7	-55.3	-176.5	177.2	-173.1	0	113.1	K536 F604	K536-K606 WeakPolarHBondContact CD-O 3.46Å; F604-K606 PolarHBondContact O-N 2.96Å
607	A	91.8	Very high	86	Confident	7 Å²	7	46.4 Å²	46.4	6%	0.058	22%	0.219	C	C	.	.			trans	-80.1	130.3	160.3	0	0	0	0	0	108.2	V538 F604 R605 V610	V538-A607 HydrophobicContact CG2-CB 3.86Å; F604-A607 WeakPolarHBondContact O-CB 3.47Å; F604-A607 PolarHBondContact O-N 3.34Å; R605-A607 VanDerWaalsContact C-N 3.26Å; R605-A607 PolarHBondContact O-N 3.43Å; A607-V610 HydrophobicContact CB-CG2 4.36Å
608	D	94	Very high	87.3	Confident	67 Å²	67	45.2 Å²	45.2	36%	0.358	22%	0.221	S	C	.	.	S	Bend	trans	-82.2	-31.6	178.1	-55.1	-61.2	0	0	0	110.5	F535 K536 P641 L695	F535-D608 WeakPolarHBondContact CA-OD2 3.45Å; F535-D608 HydrophobicContact CB-CB 4.3Å; F535-D608 HydrophobicContact CD1-CB 4.14Å; K536-D608 PolarHBondContact N-OD2 2.88Å; K536-D608 PolarHBondContact O-N 2.96Å; D608-P641 WeakPolarHBondContact O-CD 3.37Å; D608-L695 VanDerWaalsContact C-CD2 3.47Å; D608-L695 HydrophobicContact CB-CD2 4.08Å; D608-L695 WeakPolarHBondContact O-CD2 3.17Å
609	G	94.4	Very high	88.7	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	160.9	172.9	0	0	0	0	0	113	K536 V537 V538 P641	K536-G609 PolarHBondContact O-N 2.98Å; K536-G609 VanDerWaalsContact O-N 3.15Å; V537-G609 WeakPolarHBondContact CA-O 3.27Å; V538-G609 PolarHBondContact N-O 3.26Å; V538-G609 VanDerWaalsContact N-O 3.16Å; G609-P641 WeakPolarHBondContact CA-O 3.34Å
610	V	94.8	Very high	89.9	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	140.5	176.8	169.4	0	0	0	0	111.2	V538 V540 F604 A607 V612 V632 I640 P641 I642 M643	V538-V610 HydrophobicContact CB-CG2 4.34Å; V538-V610 WeakPolarHBondContact O-CA 3.36Å; V540-V610 HydrophobicContact CG2-CG1 3.98Å; F604-V610 HydrophobicContact CD1-CG2 4.48Å; A607-V610 HydrophobicContact CB-CG2 4.36Å; V610-V612 HydrophobicContact CG1-CG2 4.14Å; V610-V632 HydrophobicContact CB-CG1 4.22Å; V610-V632 HydrophobicContact CG1-CG1 4.16Å; V610-V632 HydrophobicContact CG1-CG2 3.84Å; V610-V632 HydrophobicContact CG2-CG1 4.03Å; V610-I640 HydrophobicContact CB-CD1 3.98Å; V610-I640 HydrophobicContact CG2-CD1 3.5Å; V610-P641 PolarHBondContact N-O 3.35Å; V610-I642 HydrophobicContact CB-CG2 4.21Å; V610-I642 HydrophobicContact CG1-CG2 4.13Å; V610-I642 VanDerWaalsContact O-CA 3.31Å; V610-I642 WeakPolarHBondContact O-CA 3.41Å; V610-M643 PolarHBondContact O-N 2.65Å
611	I	95.8	Very high	91	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	118.8	173.1	-65.3	176.8	0	0	0	107.8	V537 V538 L539 V540 M613 M643 L645 M688 L691	V537-I611 HydrophobicContact CG1-CD1 3.72Å; V537-I611 HydrophobicContact CG1-CG1 3.84Å; V538-I611 PolarHBondContact O-N 3.04Å; L539-I611 WeakPolarHBondContact CA-O 3.31Å; L539-I611 HydrophobicContact CD1-CD1 4.46Å; L539-I611 HydrophobicContact CG-CB 4.1Å; L539-I611 HydrophobicContact CG-CD1 4.25Å; L539-I611 HydrophobicContact CG-CG2 4.37Å; V540-I611 PolarHBondContact N-O 3.47Å; I611-M613 HydrophobicContact CG2-CE 4.49Å; I611-M643 WeakPolarHBondContact CA-O 3.49Å; I611-M643 HydrophobicContact CD1-CE 3.86Å; I611-M643 HydrophobicContact CG1-CE 3.91Å; I611-L645 HydrophobicContact CG2-CB 4.45Å; I611-L645 HydrophobicContact CG2-CD1 3.52Å; I611-L645 HydrophobicContact CG2-CG 3.82Å; I611-M688 HydrophobicContact CD1-CE 3.8Å; I611-M688 HydrophobicContact CD1-SD 3.66Å; I611-L691 HydrophobicContact CD1-CD2 3.83Å; I611-L691 HydrophobicContact CG1-CD2 3.75Å
612	V	95.1	Very high	92	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.3	172.2	-171.6	0	0	0	0	108.3	V540 V610 V625 W628 L629 I642 M643 L644 L645 M671	V540-V612 HydrophobicContact CG2-CB 4.3Å; V540-V612 HydrophobicContact CG2-CG1 4.36Å; V540-V612 HydrophobicContact CG2-CG2 3.82Å; V610-V612 HydrophobicContact CG1-CG2 4.14Å; V612-V625 HydrophobicContact CG1-CB 4.4Å; V612-V625 HydrophobicContact CG1-CG1 3.94Å; V612-V625 HydrophobicContact CG1-CG2 4.31Å; V612-W628 HydrophobicContact CG1-CB 3.93Å; V612-L629 HydrophobicContact CG2-CD2 4.03Å; V612-I642 HydrophobicContact CG2-CG2 3.67Å; V612-M643 PolarHBondContact N-O 2.96Å; V612-L644 WeakPolarHBondContact O-CA 3.43Å; V612-L645 PolarHBondContact O-N 2.93Å; V612-M671 HydrophobicContact CB-CE 4.37Å; V612-M671 HydrophobicContact CG2-CE 4.32Å
613	M	95.8	Very high	92.8	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.3	-172.9	-167.3	178.5	-57.8	0	0	111.8	L539 V540 G541 V545 K547 I550 I611 L645 N647	L539-M613 HydrophobicContact CD2-CE 4.17Å; V540-M613 PolarHBondContact O-N 3.31Å; G541-M613 WeakPolarHBondContact CA-O 3.5Å; V545-M613 HydrophobicContact CB-CG 4.49Å; V545-M613 HydrophobicContact CG2-CB 4.09Å; V545-M613 HydrophobicContact CG2-CG 3.95Å; V545-M613 HydrophobicContact CG2-SD 4.08Å; K547-M613 HydrophobicContact CB-CE 4.28Å; K547-M613 HydrophobicContact CB-SD 4.29Å; K547-M613 HydrophobicContact CG-CB 4.17Å; K547-M613 HydrophobicContact CG-CE 4.09Å; K547-M613 HydrophobicContact CG-SD 3.8Å; I550-M613 HydrophobicContact CB-CE 4.02Å; I550-M613 HydrophobicContact CD1-CE 3.7Å; I550-M613 HydrophobicContact CD1-SD 4.01Å; I550-M613 HydrophobicContact CG1-CE 4.23Å; I550-M613 HydrophobicContact CG1-SD 4.49Å; I550-M613 HydrophobicContact CG2-CE 4.09Å; I611-M613 HydrophobicContact CG2-CE 4.49Å; M613-L645 WeakPolarHBondContact CA-O 3.49Å; M613-L645 HydrophobicContact CE-CD1 4.19Å; M613-L645 HydrophobicContact CG-CB 4.26Å; M613-N647 HydrophobicContact CG-CB 4.21Å; M613-N647 HydrophobicContact SD-CB 4.12Å
614	Y	97.1	Very high	93.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	173.5	168.9	74.8	-85.7	0	0	0	110.4	V616 F622 V625 L644 L645 G646 N647 V657 F673	Y614-V616 HydrophobicContact CE2-CG1 4.04Å; Y614-F622 AromaticContact CD1-CD2 3.88Å; Y614-F622 HydrophobicContact CD1-CD2 3.88Å; Y614-F622 HydrophobicContact CD2-CB 3.83Å; Y614-F622 AromaticContact CD2-CD2 3.78Å; Y614-F622 HydrophobicContact CD2-CD2 3.78Å; Y614-F622 HydrophobicContact CD2-CG 4.26Å; Y614-F622 AromaticContact CE1-CD2 3.82Å; Y614-F622 HydrophobicContact CE1-CD2 3.82Å; Y614-F622 HydrophobicContact CE1-CE2 4.15Å; Y614-F622 HydrophobicContact CE2-CB 4.38Å; Y614-F622 AromaticContact CE2-CD2 3.76Å; Y614-F622 HydrophobicContact CE2-CD2 3.76Å; Y614-F622 HydrophobicContact CE2-CG 4.42Å; Y614-F622 HydrophobicContact CG-CB 4.18Å; Y614-F622 AromaticContact CG-CD2 3.85Å; Y614-F622 HydrophobicContact CG-CD2 3.85Å; Y614-F622 AromaticContact CZ-CD2 3.77Å; Y614-V625 HydrophobicContact CD1-CG2 4.23Å; Y614-V625 HydrophobicContact CG-CG2 4.36Å; Y614-L644 HydrophobicContact CD1-CD1 3.73Å; Y614-L644 HydrophobicContact CD1-CG 4.21Å; Y614-L644 HydrophobicContact CE1-CD1 3.98Å; Y614-L644 HydrophobicContact CE1-CD2 4.25Å; Y614-L644 HydrophobicContact CE1-CG 3.93Å; Y614-L645 WeakPolarHBondContact CD1-O 3.23Å; Y614-L645 PolarHBondContact N-O 3Å; Y614-G646 VanDerWaalsContact CE1-CA 3.43Å; Y614-G646 VanDerWaalsContact CZ-CA 3.45Å; Y614-N647 PolarHBondContact O-N 3.45Å; Y614-V657 HydrophobicContact CE2-CB 4.03Å; Y614-V657 HydrophobicContact CE2-CG1 3.72Å; Y614-V657 HydrophobicContact CE2-CG2 4.36Å; Y614-F673 HydrophobicContact CE1-CE2 4.1Å; Y614-F673 WeakPolarHBondContact OH-CE2 3.45Å
615	D	96.5	Very high	93.8	Very high	9 Å²	9	44.3 Å²	44.3	5%	0.048	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.3	179.7	-177.9	-3.4	0	0	0	109.4	V545 T617 A618 S621 K648	V545-D615 HydrophobicContact CB-CB 4.3Å; V545-D615 HydrophobicContact CG1-CB 4.17Å; D615-T617 PolarHBondContact O-N 3.15Å; D615-T617 PolarHBondContact OD1-N 2.86Å; D615-T617 PolarHBondContact OD1-OG1 3.49Å; D615-A618 HydrophobicContact CB-CB 4.18Å; D615-A618 PolarHBondContact O-N 3.15Å; D615-S621 PolarHBondContact N-OG 3.39Å; D615-S621 PolarHBondContact O-OG 2.95Å; D615-K648 WeakPolarHBondContact OD1-CD 3.4Å; D615-K648 VanDerWaalsContact OD2-CE 3.27Å; D615-K648 WeakPolarHBondContact OD2-CE 3.45Å; D615-K648 IonicContact OD2-NZ 2.96Å; D615-K648 PolarHBondContact OD2-NZ 3.36Å
616	V	97.3	Very high	94.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-18.4	-178.7	-57.8	0	0	0	0	112.8	Y614 N647 T649 E656 V657	Y614-V616 HydrophobicContact CE2-CG1 4.04Å; V616-N647 WeakPolarHBondContact CG2-O 3.47Å; V616-N647 PolarHBondContact N-O 2.91Å; V616-T649 HydrophobicContact CG1-CG2 4.43Å; V616-E656 PolarHBondContact O-N 3.41Å; V616-V657 PolarHBondContact O-N 3.17Å
617	T	96.3	Very high	94.4	Very high	25 Å²	25	39.2 Å²	39.2	15%	0.153	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	17.7	176.7	80.3	0	0	0	0	113.2	D615 K651 E654	D615-T617 PolarHBondContact O-N 3.15Å; D615-T617 PolarHBondContact OD1-N 2.86Å; D615-T617 PolarHBondContact OD1-OG1 3.49Å; T617-K651 HydrophobicContact CG2-CB 3.58Å; T617-K651 HydrophobicContact CG2-CD 4.24Å; T617-E654 WeakPolarHBondContact CA-O 3.15Å; T617-E654 VanDerWaalsContact CB-O 3.26Å; T617-E654 WeakPolarHBondContact CB-O 3.38Å; T617-E654 HydrophobicContact CG2-CB 3.73Å
618	A	94.9	Very high	94.3	Very high	29 Å²	29	39 Å²	39	24%	0.24	19%	0.192	C	C	.	.			trans	-150.9	95.6	177	0	0	0	0	0	112.5	D615 Q620 S621 E656	D615-A618 HydrophobicContact CB-CB 4.18Å; D615-A618 PolarHBondContact O-N 3.15Å; A618-Q620 PolarHBondContact O-N 3.24Å; A618-Q620 VanDerWaalsContact O-N 3.14Å; A618-S621 WeakPolarHBondContact O-CB 3.5Å; A618-S621 PolarHBondContact O-N 2.87Å; A618-S621 PolarHBondContact O-OG 2.83Å; A618-E656 VanDerWaalsContact CA-OE2 3.23Å; A618-E656 WeakPolarHBondContact CA-OE2 3.29Å
619	E	95.1	Very high	94.1	Very high	122 Å²	122	36.3 Å²	36.3	57%	0.57	18%	0.178	S	C	*	.	H	α-helix	trans	-55.2	-33.2	-179.5	-174.6	-177.7	-152	0	0	112.8	S621 F622 T623 E656 V657	E619-S621 PolarHBondContact O-N 2.89Å; E619-F622 PolarHBondContact O-N 3.46Å; E619-T623 WeakPolarHBondContact O-CB 3.46Å; E619-T623 PolarHBondContact O-N 2.85Å; E619-T623 PolarHBondContact O-OG1 2.97Å; E619-E656 HydrophobicContact CB-CB 4.34Å; E619-E656 PolarHBondContact N-OE2 3.45Å; E619-V657 HydrophobicContact CB-CG2 4.47Å
620	Q	93.1	Very high	93.9	Very high	167 Å²	167	40 Å²	40	78%	0.78	20%	0.201	S	C	*	.	H	α-helix	trans	-60.9	-33.3	175.9	-60.3	-175.6	28.6	0	0	112.4	A618 A624	A618-Q620 PolarHBondContact O-N 3.24Å; A618-Q620 VanDerWaalsContact O-N 3.14Å; Q620-A624 PolarHBondContact O-N 3.24Å; Q620-A624 VanDerWaalsContact O-N 3.15Å
621	S	94.4	Very high	93.5	Very high	8 Å²	8	40.4 Å²	40.4	6%	0.056	20%	0.203	C	C	.	.	H	α-helix	trans	-71.1	-38.8	176.9	78	0	0	0	0	111.8	D615 A618 E619 A624 V625	D615-S621 PolarHBondContact N-OG 3.39Å; D615-S621 PolarHBondContact O-OG 2.95Å; A618-S621 WeakPolarHBondContact O-CB 3.5Å; A618-S621 PolarHBondContact O-N 2.87Å; A618-S621 PolarHBondContact O-OG 2.83Å; E619-S621 PolarHBondContact O-N 2.89Å; S621-A624 PolarHBondContact O-N 3.08Å; S621-V625 PolarHBondContact O-N 3.42Å
622	F	96.1	Very high	93.1	Very high	26 Å²	26	40.4 Å²	40.4	11%	0.114	20%	0.204	C	C	.	.	H	α-helix	trans	-67.9	-42.1	174.4	-178.7	-104.8	0	0	0	111.7	Y614 E619 A624 V625 V657 V661 L665	Y614-F622 AromaticContact CD1-CD2 3.88Å; Y614-F622 HydrophobicContact CD1-CD2 3.88Å; Y614-F622 HydrophobicContact CD2-CB 3.83Å; Y614-F622 AromaticContact CD2-CD2 3.78Å; Y614-F622 HydrophobicContact CD2-CD2 3.78Å; Y614-F622 HydrophobicContact CD2-CG 4.26Å; Y614-F622 AromaticContact CE1-CD2 3.82Å; Y614-F622 HydrophobicContact CE1-CD2 3.82Å; Y614-F622 HydrophobicContact CE1-CE2 4.15Å; Y614-F622 HydrophobicContact CE2-CB 4.38Å; Y614-F622 AromaticContact CE2-CD2 3.76Å; Y614-F622 HydrophobicContact CE2-CD2 3.76Å; Y614-F622 HydrophobicContact CE2-CG 4.42Å; Y614-F622 HydrophobicContact CG-CB 4.18Å; Y614-F622 AromaticContact CG-CD2 3.85Å; Y614-F622 HydrophobicContact CG-CD2 3.85Å; Y614-F622 AromaticContact CZ-CD2 3.77Å; E619-F622 PolarHBondContact O-N 3.46Å; F622-A624 PolarHBondContact O-N 3.33Å; F622-V625 HydrophobicContact CD2-CG2 4.43Å; F622-V625 WeakPolarHBondContact O-CB 3.31Å; F622-V625 VanDerWaalsContact O-CG2 3.26Å; F622-V625 WeakPolarHBondContact O-CG2 3.32Å; F622-V625 PolarHBondContact O-N 2.91Å; F622-V657 HydrophobicContact CB-CG1 4.26Å; F622-V657 HydrophobicContact CB-CG2 3.81Å; F622-V657 HydrophobicContact CD1-CG1 4.14Å; F622-V657 HydrophobicContact CD2-CG1 3.96Å; F622-V657 HydrophobicContact CE2-CG1 4.35Å; F622-V657 HydrophobicContact CG-CG1 3.85Å; F622-V657 HydrophobicContact CG-CG2 4.28Å; F622-V661 HydrophobicContact CE1-CB 4.49Å; F622-V661 HydrophobicContact CE1-CG1 3.57Å; F622-V661 HydrophobicContact CZ-CB 4.4Å; F622-V661 HydrophobicContact CZ-CG1 3.77Å; F622-L665 HydrophobicContact CD2-CD2 4.47Å; F622-L665 HydrophobicContact CE1-CD2 4.31Å; F622-L665 HydrophobicContact CE2-CB 4.41Å; F622-L665 HydrophobicContact CE2-CD2 3.63Å; F622-L665 HydrophobicContact CZ-CB 3.94Å; F622-L665 HydrophobicContact CZ-CD2 3.53Å; F622-L665 HydrophobicContact CZ-CG 4.37Å
623	T	93.9	Very high	92.7	Very high	88 Å²	88	47 Å²	47	54%	0.54	23%	0.232	S	C	.	.	H	α-helix	trans	-58.8	-36.8	175.4	-58.6	0	0	0	0	111.7	E619 V625	E619-T623 WeakPolarHBondContact O-CB 3.46Å; E619-T623 PolarHBondContact O-N 2.85Å; E619-T623 PolarHBondContact O-OG1 2.97Å; T623-V625 VanDerWaalsContact C-N 3.31Å; T623-V625 PolarHBondContact O-N 3.47Å
624	A	91.9	Very high	92.2	Very high	8 Å²	8	52.2 Å²	52.2	7%	0.066	26%	0.256	C	S	.	.	H	α-helix	trans	-69.6	-21	177.2	0	0	0	0	0	114.3	N542 Q620 S621 F622 R626 Q627 W628	N542-A624 WeakPolarHBondContact ND2-CB 3.49Å; N542-A624 VanDerWaalsContact OD1-CB 3.22Å; N542-A624 WeakPolarHBondContact OD1-CB 3.35Å; Q620-A624 PolarHBondContact O-N 3.24Å; Q620-A624 VanDerWaalsContact O-N 3.15Å; S621-A624 PolarHBondContact O-N 3.08Å; F622-A624 PolarHBondContact O-N 3.33Å; A624-R626 VanDerWaalsContact C-N 3.25Å; A624-R626 PolarHBondContact O-N 3.17Å; A624-Q627 WeakPolarHBondContact O-CB 3.33Å; A624-Q627 PolarHBondContact O-N 2.93Å; A624-W628 VanDerWaalsContact O-CD1 3.25Å; A624-W628 PolarHBondContact O-N 3.38Å
625	V	93.3	Very high	91.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-50.9	-44.9	179.3	171.7	0	0	0	0	111.3	V612 Y614 S621 F622 T623 Q627 W628 L629 L644 L665	V612-V625 HydrophobicContact CG1-CB 4.4Å; V612-V625 HydrophobicContact CG1-CG1 3.94Å; V612-V625 HydrophobicContact CG1-CG2 4.31Å; Y614-V625 HydrophobicContact CD1-CG2 4.23Å; Y614-V625 HydrophobicContact CG-CG2 4.36Å; S621-V625 PolarHBondContact O-N 3.42Å; F622-V625 HydrophobicContact CD2-CG2 4.43Å; F622-V625 WeakPolarHBondContact O-CB 3.31Å; F622-V625 VanDerWaalsContact O-CG2 3.26Å; F622-V625 WeakPolarHBondContact O-CG2 3.32Å; F622-V625 PolarHBondContact O-N 2.91Å; T623-V625 VanDerWaalsContact C-N 3.31Å; T623-V625 PolarHBondContact O-N 3.47Å; V625-Q627 VanDerWaalsContact C-N 3.27Å; V625-Q627 PolarHBondContact O-N 3.36Å; V625-W628 PolarHBondContact O-N 3.47Å; V625-W628 VanDerWaalsContact O-N 3.08Å; V625-L629 HydrophobicContact CG1-CD1 4.1Å; V625-L629 HydrophobicContact CG1-CG 4.4Å; V625-L629 WeakPolarHBondContact O-CG 3.45Å; V625-L629 PolarHBondContact O-N 3.46Å; V625-L644 HydrophobicContact CB-CD1 4.49Å; V625-L644 HydrophobicContact CG1-CD1 3.61Å; V625-L644 HydrophobicContact CG2-CD1 3.99Å; V625-L665 HydrophobicContact CB-CD2 4.21Å; V625-L665 HydrophobicContact CG1-CD2 3.8Å
626	R	91.6	Very high	90.8	Very high	161 Å²	161	54.2 Å²	54.2	61%	0.608	27%	0.273	S	S	*	.	H	α-helix	trans	-58.2	-39	178.9	-74.2	-174.2	168.7	-159.8	-4.9	112.6	A624 T630 L665	A624-R626 VanDerWaalsContact C-N 3.25Å; A624-R626 PolarHBondContact O-N 3.17Å; R626-T630 PolarHBondContact O-N 2.99Å; R626-T630 PolarHBondContact O-OG1 3.03Å; R626-L665 HydrophobicContact CG-CD1 4.08Å
627	Q	89.3	Confident	89.5	Confident	106 Å²	106	57.9 Å²	57.9	50%	0.495	31%	0.311	S	S	.	.	H	α-helix	trans	-69.9	-41.8	176.1	-49.1	-179.2	0.5	0	0	111.3	R597 A624 V625 L629 T630 S631	R597-Q627 PolarHBondContact NH2-O 3.17Å; A624-Q627 WeakPolarHBondContact O-CB 3.33Å; A624-Q627 PolarHBondContact O-N 2.93Å; V625-Q627 VanDerWaalsContact C-N 3.27Å; V625-Q627 PolarHBondContact O-N 3.36Å; Q627-L629 VanDerWaalsContact C-N 3.28Å; Q627-L629 PolarHBondContact O-N 3.02Å; Q627-T630 PolarHBondContact O-N 2.94Å; Q627-S631 PolarHBondContact O-N 2.95Å; Q627-S631 PolarHBondContact O-OG 3.46Å
628	W	89.9	Confident	88.5	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-60.1	-40.4	178.1	-74.9	110.6	0	0	0	111	V540 N542 R597 V612 A624 V625 T630 S631 V632	V540-W628 HydrophobicContact CB-CD2 4.43Å; V540-W628 HydrophobicContact CB-CE3 3.93Å; V540-W628 HydrophobicContact CB-CZ3 4.27Å; V540-W628 HydrophobicContact CG2-CB 4.48Å; V540-W628 HydrophobicContact CG2-CE3 4.34Å; N542-W628 PolarHBondContact OD1-NE1 3.34Å; R597-W628 HydrophobicContact CG-CZ3 4.38Å; V612-W628 HydrophobicContact CG1-CB 3.93Å; A624-W628 VanDerWaalsContact O-CD1 3.25Å; A624-W628 PolarHBondContact O-N 3.38Å; V625-W628 PolarHBondContact O-N 3.47Å; V625-W628 VanDerWaalsContact O-N 3.08Å; W628-T630 PolarHBondContact O-N 2.86Å; W628-S631 PolarHBondContact O-N 3.46Å; W628-V632 VanDerWaalsContact O-CG2 3.29Å; W628-V632 WeakPolarHBondContact O-CG2 3.37Å; W628-V632 PolarHBondContact O-N 2.91Å
629	L	89.9	Confident	87.9	Confident	11 Å²	11	66.4 Å²	66.4	6%	0.058	36%	0.356	C	S	.	.	H	α-helix	trans	-59	-42.7	173.7	-68.9	170.1	0	0	0	112.9	V612 V625 Q627 V632 K633 I642 C669 M671	V612-L629 HydrophobicContact CG2-CD2 4.03Å; V625-L629 HydrophobicContact CG1-CD1 4.1Å; V625-L629 HydrophobicContact CG1-CG 4.4Å; V625-L629 WeakPolarHBondContact O-CG 3.45Å; V625-L629 PolarHBondContact O-N 3.46Å; Q627-L629 VanDerWaalsContact C-N 3.28Å; Q627-L629 PolarHBondContact O-N 3.02Å; L629-V632 PolarHBondContact O-N 3.3Å; L629-K633 WeakPolarHBondContact O-CG 3.45Å; L629-K633 PolarHBondContact O-N 3.32Å; L629-I642 HydrophobicContact CD2-CD1 4.01Å; L629-I642 HydrophobicContact CD2-CG2 4.05Å; L629-C669 HydrophobicContact CD1-CB 4.26Å; L629-M671 HydrophobicContact CD1-SD 3.76Å; L629-M671 HydrophobicContact CD2-CE 3.66Å; L629-M671 HydrophobicContact CD2-SD 3.68Å; L629-M671 HydrophobicContact CG-SD 4.33Å
630	T	88.9	Confident	87.7	Confident	77 Å²	77	62.3 Å²	62.3	47%	0.472	34%	0.338	S	S	.	.	H	α-helix	trans	-60.1	-48.3	173.6	-47.6	0	0	0	0	111	R626 Q627 W628 V632 K633 E634	R626-T630 PolarHBondContact O-N 2.99Å; R626-T630 PolarHBondContact O-OG1 3.03Å; Q627-T630 PolarHBondContact O-N 2.94Å; W628-T630 PolarHBondContact O-N 2.86Å; T630-V632 VanDerWaalsContact C-N 3.28Å; T630-V632 PolarHBondContact O-N 3.35Å; T630-K633 PolarHBondContact O-N 2.76Å; T630-E634 WeakPolarHBondContact CG2-OE1 3.48Å; T630-E634 VanDerWaalsContact O-CG 3.3Å; T630-E634 WeakPolarHBondContact O-CG 3.47Å; T630-E634 PolarHBondContact O-N 3.45Å
631	S	86.9	Confident	87.7	Confident	8 Å²	8	55 Å²	55	6%	0.056	31%	0.305	C	S	.	.	H	α-helix	trans	-64.7	-28.1	179.7	-56.3	0	0	0	0	114.1	R597 F604 Q627 W628 G635	R597-S631 PolarHBondContact NE-OG 3.25Å; R597-S631 PolarHBondContact NH2-OG 2.96Å; F604-S631 WeakPolarHBondContact CD2-O 3.29Å; F604-S631 WeakPolarHBondContact CE2-O 3.46Å; Q627-S631 PolarHBondContact O-N 2.95Å; Q627-S631 PolarHBondContact O-OG 3.46Å; W628-S631 PolarHBondContact O-N 3.46Å; S631-G635 PolarHBondContact O-N 2.93Å
632	V	88.1	Confident	87.8	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.006	31%	0.308	C	S	.	.	H	α-helix	trans	-73.2	-49.1	173.1	170.1	0	0	0	0	110.3	V540 F604 V610 W628 L629 T630 E634 G635 T636 I640 I642	V540-V632 HydrophobicContact CG2-CG2 4.19Å; F604-V632 HydrophobicContact CE1-CG2 4.07Å; F604-V632 HydrophobicContact CE2-CG2 4.35Å; F604-V632 HydrophobicContact CZ-CG2 3.94Å; V610-V632 HydrophobicContact CB-CG1 4.22Å; V610-V632 HydrophobicContact CG1-CG1 4.16Å; V610-V632 HydrophobicContact CG1-CG2 3.84Å; V610-V632 HydrophobicContact CG2-CG1 4.03Å; W628-V632 VanDerWaalsContact O-CG2 3.29Å; W628-V632 WeakPolarHBondContact O-CG2 3.37Å; W628-V632 PolarHBondContact O-N 2.91Å; L629-V632 PolarHBondContact O-N 3.3Å; T630-V632 VanDerWaalsContact C-N 3.28Å; T630-V632 PolarHBondContact O-N 3.35Å; V632-E634 VanDerWaalsContact C-N 3.29Å; V632-E634 PolarHBondContact O-N 3.21Å; V632-G635 PolarHBondContact O-N 3.17Å; V632-T636 HydrophobicContact CG1-CG2 4.12Å; V632-T636 WeakPolarHBondContact O-CG2 3.39Å; V632-T636 PolarHBondContact O-N 3.49Å; V632-T636 PolarHBondContact O-OG1 3.01Å; V632-I640 HydrophobicContact CG1-CD1 4.49Å; V632-I642 HydrophobicContact CG1-CD1 4Å
633	K	87.3	Confident	87.8	Confident	138 Å²	138	54.5 Å²	54.5	60%	0.6	30%	0.302	S	S	*	.	H	α-helix	trans	-59.9	-37.5	178.3	-71.5	-178.3	178.5	-169.2	0	112.6	L629 T630 G635	L629-K633 WeakPolarHBondContact O-CG 3.45Å; L629-K633 PolarHBondContact O-N 3.32Å; T630-K633 PolarHBondContact O-N 2.76Å; K633-G635 VanDerWaalsContact C-N 3.29Å; K633-G635 PolarHBondContact O-N 2.95Å
634	E	85.3	Confident	88	Confident	110 Å²	110	50.3 Å²	50.3	51%	0.514	28%	0.276	S	S	.	.	H	α-helix	trans	-63	-30.5	171.7	-73.5	168.4	-168.5	0	0	113.7	K601 T630 V632	K601-E634 WeakPolarHBondContact CE-OE2 3.21Å; K601-E634 IonicContact NZ-OE2 2.71Å; K601-E634 PolarHBondContact NZ-OE2 2.89Å; T630-E634 WeakPolarHBondContact CG2-OE1 3.48Å; T630-E634 VanDerWaalsContact O-CG 3.3Å; T630-E634 WeakPolarHBondContact O-CG 3.47Å; T630-E634 PolarHBondContact O-N 3.45Å; V632-E634 VanDerWaalsContact C-N 3.29Å; V632-E634 PolarHBondContact O-N 3.21Å
635	G	81.7	Confident	88.3	Confident	19 Å²	19	49.9 Å²	49.9	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-100.2	-20.9	-170.3	0	0	0	0	0	116	S631 V632 K633	S631-G635 PolarHBondContact O-N 2.93Å; V632-G635 PolarHBondContact O-N 3.17Å; K633-G635 VanDerWaalsContact C-N 3.29Å; K633-G635 PolarHBondContact O-N 2.95Å
636	T	81.6	Confident	88.5	Confident	32 Å²	32	49.9 Å²	49.9	20%	0.196	27%	0.273	C	S	.	.	H	α-helix	trans	-88.2	-33	178.5	59.8	0	0	0	0	112.6	F604 V632 G638 I640	F604-T636 HydrophobicContact CB-CG2 4.17Å; V632-T636 HydrophobicContact CG1-CG2 4.12Å; V632-T636 WeakPolarHBondContact O-CG2 3.39Å; V632-T636 PolarHBondContact O-N 3.49Å; V632-T636 PolarHBondContact O-OG1 3.01Å; T636-G638 PolarHBondContact O-N 3Å; T636-G638 PolarHBondContact OG1-O 3.29Å; T636-I640 HydrophobicContact CG2-CD1 3.58Å; T636-I640 HydrophobicContact CG2-CG1 3.95Å
637	G	69.4	Low	88.7	Confident	77 Å²	77	42.3 Å²	42.3	79%	0.794	25%	0.245	S	C	*	.	S	Bend	trans	69.5	12.9	-176.5	0	0	0	0	0	114.6
638	G	75	Confident	89	Confident	45 Å²	45	39.5 Å²	39.5	46%	0.464	23%	0.231	S	C	.	.	S	Bend	trans	-169.8	167.7	-177.7	0	0	0	0	0	112.7	T636 I640	T636-G638 PolarHBondContact O-N 3Å; T636-G638 PolarHBondContact OG1-O 3.29Å; G638-I640 PolarHBondContact O-N 3.08Å
639	E	82.9	Confident	89.3	Confident	188 Å²	188	40.9 Å²	40.9	88%	0.879	24%	0.24	S	C	*	.			trans	-73.2	116.8	177.7	-65	-175.5	157.7	0	0	110.6
640	I	91.4	Very high	89.6	Confident	37 Å²	37	43.9 Å²	43.9	19%	0.19	26%	0.256	C	S	.	.			trans	-123.9	157.1	172.8	59.1	152.6	0	0	0	109.6	V610 V632 T636 G638 I642	V610-I640 HydrophobicContact CB-CD1 3.98Å; V610-I640 HydrophobicContact CG2-CD1 3.5Å; V632-I640 HydrophobicContact CG1-CD1 4.49Å; T636-I640 HydrophobicContact CG2-CD1 3.58Å; T636-I640 HydrophobicContact CG2-CG1 3.95Å; G638-I640 PolarHBondContact O-N 3.08Å; I640-I642 HydrophobicContact CG1-CG1 4.4Å; I640-I642 PolarHBondContact O-N 2.62Å
641	P	93.4	Very high	89.8	Confident	14 Å²	14	43.8 Å²	43.8	9%	0.091	25%	0.249	C	C	.	.			trans	-61	127	170.8	-23.5	36.6	0	0	0	111.2	D608 G609 V610 L691 I694 L695 Q698	D608-P641 WeakPolarHBondContact O-CD 3.37Å; G609-P641 WeakPolarHBondContact CA-O 3.34Å; V610-P641 PolarHBondContact N-O 3.35Å; P641-L691 HydrophobicContact CB-CD1 4.2Å; P641-I694 HydrophobicContact CB-CG2 3.88Å; P641-I694 HydrophobicContact CG-CG2 3.78Å; P641-L695 HydrophobicContact CB-CD2 4.45Å; P641-L695 HydrophobicContact CG-CD2 3.91Å; P641-Q698 VanDerWaalsContact CD-OE1 3.29Å; P641-Q698 HydrophobicContact CG-CG 4.44Å
642	I	95.2	Very high	90.1	Very high	22 Å²	22	48.3 Å²	48.3	11%	0.113	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.3	172.1	-37.6	-178.5	0	0	0	109	V610 V612 L629 V632 I640 M671 T672	V610-I642 HydrophobicContact CB-CG2 4.21Å; V610-I642 HydrophobicContact CG1-CG2 4.13Å; V610-I642 VanDerWaalsContact O-CA 3.31Å; V610-I642 WeakPolarHBondContact O-CA 3.41Å; V612-I642 HydrophobicContact CG2-CG2 3.67Å; L629-I642 HydrophobicContact CD2-CD1 4.01Å; L629-I642 HydrophobicContact CD2-CG2 4.05Å; V632-I642 HydrophobicContact CG1-CD1 4Å; I640-I642 HydrophobicContact CG1-CG1 4.4Å; I640-I642 PolarHBondContact O-N 2.62Å; I642-M671 HydrophobicContact CB-CE 4.1Å; I642-M671 HydrophobicContact CB-CG 4.44Å; I642-M671 HydrophobicContact CG2-CE 3.64Å; I642-M671 WeakPolarHBondContact O-CA 3.26Å; I642-M671 WeakPolarHBondContact O-CB 3.5Å; I642-T672 PolarHBondContact O-N 3.41Å
643	M	97.1	Very high	90.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	133.6	175.8	-176.5	164.2	61.3	0	0	110.5	V610 I611 V612 L645 T672 F674 S687 L691	V610-M643 PolarHBondContact O-N 2.65Å; I611-M643 WeakPolarHBondContact CA-O 3.49Å; I611-M643 HydrophobicContact CD1-CE 3.86Å; I611-M643 HydrophobicContact CG1-CE 3.91Å; V612-M643 PolarHBondContact N-O 2.96Å; M643-L645 HydrophobicContact CE-CD1 4.28Å; M643-L645 HydrophobicContact CE-CD2 4Å; M643-L645 HydrophobicContact CE-CG 4.28Å; M643-L645 HydrophobicContact CG-CD2 3.98Å; M643-L645 HydrophobicContact CG-CG 4.37Å; M643-L645 HydrophobicContact SD-CD2 4Å; M643-T672 WeakPolarHBondContact CA-OG1 3.19Å; M643-T672 VanDerWaalsContact CB-OG1 3.3Å; M643-T672 WeakPolarHBondContact CB-OG1 3.46Å; M643-T672 WeakPolarHBondContact CG-OG1 3.39Å; M643-F674 HydrophobicContact SD-CD2 3.74Å; M643-F674 HydrophobicContact SD-CE2 4.09Å; M643-S687 WeakPolarHBondContact CE-O 3.31Å; M643-L691 HydrophobicContact CE-CB 3.91Å; M643-L691 HydrophobicContact CE-CD2 4.14Å; M643-L691 HydrophobicContact SD-CB 4.4Å
644	L	97.7	Very high	90.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	123	172.4	-176.3	60.9	0	0	0	109.4	V612 Y614 V625 L665 A666 M671 T672 F673 F674	V612-L644 WeakPolarHBondContact O-CA 3.43Å; Y614-L644 HydrophobicContact CD1-CD1 3.73Å; Y614-L644 HydrophobicContact CD1-CG 4.21Å; Y614-L644 HydrophobicContact CE1-CD1 3.98Å; Y614-L644 HydrophobicContact CE1-CD2 4.25Å; Y614-L644 HydrophobicContact CE1-CG 3.93Å; V625-L644 HydrophobicContact CB-CD1 4.49Å; V625-L644 HydrophobicContact CG1-CD1 3.61Å; V625-L644 HydrophobicContact CG2-CD1 3.99Å; L644-L665 HydrophobicContact CD2-CD2 4.3Å; L644-A666 HydrophobicContact CD2-CB 4.27Å; L644-M671 HydrophobicContact CB-CE 3.65Å; L644-M671 HydrophobicContact CB-SD 4.33Å; L644-M671 HydrophobicContact CD1-CE 4.43Å; L644-T672 PolarHBondContact N-O 3.43Å; L644-F673 HydrophobicContact CB-CD2 4.02Å; L644-F673 HydrophobicContact CD2-CD2 3.86Å; L644-F673 HydrophobicContact CD2-CE2 4.26Å; L644-F673 HydrophobicContact CG-CD2 3.87Å; L644-F673 HydrophobicContact CG-CE2 4.32Å; L644-F673 WeakPolarHBondContact O-CA 3.47Å; L644-F674 PolarHBondContact O-N 2.85Å; L644-F674 VanDerWaalsContact O-N 3.1Å
645	L	97.7	Very high	91.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.3	175.3	-65.4	-172.9	0	0	0	111.4	I550 I611 V612 M613 Y614 M643 F674	I550-L645 HydrophobicContact CD1-CD1 4.41Å; I611-L645 HydrophobicContact CG2-CB 4.45Å; I611-L645 HydrophobicContact CG2-CD1 3.52Å; I611-L645 HydrophobicContact CG2-CG 3.82Å; V612-L645 PolarHBondContact O-N 2.93Å; M613-L645 WeakPolarHBondContact CA-O 3.49Å; M613-L645 HydrophobicContact CE-CD1 4.19Å; M613-L645 HydrophobicContact CG-CB 4.26Å; Y614-L645 WeakPolarHBondContact CD1-O 3.23Å; Y614-L645 PolarHBondContact N-O 3Å; M643-L645 HydrophobicContact CE-CD1 4.28Å; M643-L645 HydrophobicContact CE-CD2 4Å; M643-L645 HydrophobicContact CE-CG 4.28Å; M643-L645 HydrophobicContact CG-CD2 3.98Å; M643-L645 HydrophobicContact CG-CG 4.37Å; M643-L645 HydrophobicContact SD-CD2 4Å; L645-F674 WeakPolarHBondContact CA-O 3.25Å; L645-F674 HydrophobicContact CD2-CB 3.73Å
646	G	97.5	Very high	92	Very high	0 Å²	0	53 Å²	53	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	106.5	164.8	0	0	0	0	0	110.1	Y614 F674 E675 C676	Y614-G646 VanDerWaalsContact CE1-CA 3.43Å; Y614-G646 VanDerWaalsContact CZ-CA 3.45Å; G646-F674 PolarHBondContact N-O 3.47Å; G646-E675 CarbonylContact O-C 3.23Å; G646-E675 VanDerWaalsContact O-CA 3.26Å; G646-E675 WeakPolarHBondContact O-CA 3.44Å; G646-C676 PolarHBondContact O-N 2.88Å
647	N	96.9	Very high	92.7	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.011	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	165.6	-179.1	-168.5	22.6	0	0	0	112	V545 I550 M613 Y614 V616 C676 A678	V545-N647 PolarHBondContact O-ND2 3.33Å; I550-N647 HydrophobicContact CD1-CB 4.15Å; M613-N647 HydrophobicContact CG-CB 4.21Å; M613-N647 HydrophobicContact SD-CB 4.12Å; Y614-N647 PolarHBondContact O-N 3.45Å; V616-N647 WeakPolarHBondContact CG2-O 3.47Å; V616-N647 PolarHBondContact N-O 2.91Å; N647-C676 CarbonylContact C-O 3.57Å; N647-C676 VanDerWaalsContact CA-O 3.31Å; N647-C676 WeakPolarHBondContact CA-O 3.19Å; N647-C676 PolarHBondContact OD1-O 3.3Å; N647-A678 PolarHBondContact OD1-N 2.89Å; N647-A678 VanDerWaalsContact OD1-N 3.13Å
648	K	95.9	Very high	94	Very high	46 Å²	46	52.9 Å²	52.9	20%	0.2	28%	0.282	C	S	.	.			trans	73.4	33.2	176.7	-46.1	-170.3	-162.9	164.1	0	116	S544 D615 D650 K651 C676	S544-K648 WeakPolarHBondContact O-CE 3.47Å; S544-K648 PolarHBondContact O-NZ 3.36Å; D615-K648 WeakPolarHBondContact OD1-CD 3.4Å; D615-K648 VanDerWaalsContact OD2-CE 3.27Å; D615-K648 WeakPolarHBondContact OD2-CE 3.45Å; D615-K648 IonicContact OD2-NZ 2.96Å; D615-K648 PolarHBondContact OD2-NZ 3.36Å; K648-D650 WeakPolarHBondContact CA-OD1 3.37Å; K648-D650 PolarHBondContact O-N 3Å; K648-K651 PolarHBondContact O-N 3.25Å; K648-C676 PolarHBondContact N-O 2.89Å
649	T	96.3	Very high	95	Very high	32 Å²	32	54.9 Å²	54.9	20%	0.196	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-62.2	-10.6	172.8	51.1	0	0	0	0	115.1	V616 K651 E675 C676	V616-T649 HydrophobicContact CG1-CG2 4.43Å; T649-K651 PolarHBondContact O-N 3.11Å; T649-E675 HydrophobicContact CG2-CB 3.62Å; T649-E675 HydrophobicContact CG2-CG 4.47Å; T649-C676 PolarHBondContact N-O 2.95Å; T649-C676 PolarHBondContact OG1-O 3.29Å
650	D	95	Very high	95.6	Very high	74 Å²	74	51 Å²	51	40%	0.396	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-61.5	-23	165.7	47.1	-75.3	0	0	0	113.4	K648 S677 C679	K648-D650 WeakPolarHBondContact CA-OD1 3.37Å; K648-D650 PolarHBondContact O-N 3Å; D650-S677 VanDerWaalsContact OD1-CB 3.24Å; D650-S677 WeakPolarHBondContact OD1-CB 3.36Å; D650-S677 PolarHBondContact OD1-OG 3.29Å; D650-C679 HydrophobicContact CB-CB 4.37Å
651	K	93.3	Very high	95.8	Very high	74 Å²	74	51.8 Å²	51.8	32%	0.322	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-100	42.7	178.7	-72.2	172.2	149.7	-79.2	0	112.9	T617 K648 T649 A653 E654 R655	T617-K651 HydrophobicContact CG2-CB 3.58Å; T617-K651 HydrophobicContact CG2-CD 4.24Å; K648-K651 PolarHBondContact O-N 3.25Å; T649-K651 PolarHBondContact O-N 3.11Å; K651-A653 PolarHBondContact O-N 2.9Å; K651-E654 HydrophobicContact CB-CB 4.34Å; K651-E654 IonicContact NZ-OE1 3.15Å; K651-E654 PolarHBondContact NZ-OE1 2.99Å; K651-E654 IonicContact NZ-OE2 3.54Å; K651-E654 PolarHBondContact NZ-OE2 2.85Å; K651-E654 WeakPolarHBondContact O-CA 3.47Å; K651-E654 PolarHBondContact O-N 3.36Å; K651-R655 PolarHBondContact O-N 2.89Å
652	E	93.3	Very high	95.9	Very high	104 Å²	104	51.1 Å²	51.1	49%	0.486	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-54.4	-30.4	-177.6	-168.1	60.4	-146.7	0	0	113.6	E654 R655	E652-E654 VanDerWaalsContact C-N 3.27Å; E652-E654 PolarHBondContact O-N 3.37Å; E652-R655 WeakPolarHBondContact O-CB 3.37Å; E652-R655 PolarHBondContact O-N 3.47Å; E652-R655 WeakPolarHBondContact OE1-CD 3.32Å; E652-R655 IonicContact OE1-CZ 2.72Å; E652-R655 IonicContact OE1-NE 3.38Å; E652-R655 PolarHBondContact OE1-NE 2.91Å; E652-R655 IonicContact OE1-NH2 3.69Å; E652-R655 IonicContact OE2-CZ 3.45Å; E652-R655 VanDerWaalsContact OE2-CZ 3.32Å; E652-R655 IonicContact OE2-NE 2.71Å; E652-R655 PolarHBondContact OE2-NE 3.4Å; E652-R655 IonicContact OE2-NH2 2.62Å; E652-R655 PolarHBondContact OE2-NH2 3.48Å
653	A	94.3	Very high	95.9	Very high	109 Å²	109	53 Å²	53	90%	0.901	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-71.6	-14.6	175.3	0	0	0	0	0	114.8	K651	K651-A653 PolarHBondContact O-N 2.9Å
654	E	95.1	Very high	95.8	Very high	104 Å²	104	60 Å²	60	49%	0.486	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-108.2	11.2	176.3	-63	168.4	-136.1	0	0	111.5	T617 K651 E652 E656	T617-E654 WeakPolarHBondContact CA-O 3.15Å; T617-E654 VanDerWaalsContact CB-O 3.26Å; T617-E654 WeakPolarHBondContact CB-O 3.38Å; T617-E654 HydrophobicContact CG2-CB 3.73Å; K651-E654 HydrophobicContact CB-CB 4.34Å; K651-E654 IonicContact NZ-OE1 3.15Å; K651-E654 PolarHBondContact NZ-OE1 2.99Å; K651-E654 IonicContact NZ-OE2 3.54Å; K651-E654 PolarHBondContact NZ-OE2 2.85Å; K651-E654 WeakPolarHBondContact O-CA 3.47Å; K651-E654 PolarHBondContact O-N 3.36Å; E652-E654 VanDerWaalsContact C-N 3.27Å; E652-E654 PolarHBondContact O-N 3.37Å; E654-E656 PolarHBondContact O-N 2.96Å
655	R	97.1	Very high	95.7	Very high	33 Å²	33	60.3 Å²	60.3	13%	0.125	30%	0.299	C	S	.	.			trans	-65.2	115.4	-176.2	179.8	-175	-74.9	-95	10.4	111.8	K651 E652 V657 E675	K651-R655 PolarHBondContact O-N 2.89Å; E652-R655 WeakPolarHBondContact O-CB 3.37Å; E652-R655 PolarHBondContact O-N 3.47Å; E652-R655 WeakPolarHBondContact OE1-CD 3.32Å; E652-R655 IonicContact OE1-CZ 2.72Å; E652-R655 IonicContact OE1-NE 3.38Å; E652-R655 PolarHBondContact OE1-NE 2.91Å; E652-R655 IonicContact OE1-NH2 3.69Å; E652-R655 IonicContact OE2-CZ 3.45Å; E652-R655 VanDerWaalsContact OE2-CZ 3.32Å; E652-R655 IonicContact OE2-NE 2.71Å; E652-R655 PolarHBondContact OE2-NE 3.4Å; E652-R655 IonicContact OE2-NH2 2.62Å; E652-R655 PolarHBondContact OE2-NH2 3.48Å; R655-V657 VanDerWaalsContact CD-O 3.32Å; R655-V657 WeakPolarHBondContact CD-O 3.36Å; R655-V657 VanDerWaalsContact CG-O 3.23Å; R655-V657 WeakPolarHBondContact CG-O 3.33Å; R655-V657 PolarHBondContact NH1-O 2.89Å; R655-E675 IonicContact CZ-OE1 3.3Å; R655-E675 IonicContact CZ-OE2 2.73Å; R655-E675 IonicContact NH1-OE1 2.73Å; R655-E675 PolarHBondContact NH1-OE1 3.42Å; R655-E675 IonicContact NH1-OE2 3.18Å; R655-E675 PolarHBondContact NH1-OE2 2.88Å; R655-E675 IonicContact NH2-OE1 2.67Å; R655-E675 IonicContact NH2-OE2 2.64Å; R655-E675 PolarHBondContact NH2-OE2 3.48Å
656	E	96.2	Very high	95.5	Very high	119 Å²	119	60.4 Å²	60.4	56%	0.556	30%	0.299	S	S	*	.			trans	-89.8	-36.7	167.5	-60.6	-171.5	157	0	0	111	V616 A618 E619 E654	V616-E656 PolarHBondContact O-N 3.41Å; A618-E656 VanDerWaalsContact CA-OE2 3.23Å; A618-E656 WeakPolarHBondContact CA-OE2 3.29Å; E619-E656 HydrophobicContact CB-CB 4.34Å; E619-E656 PolarHBondContact N-OE2 3.45Å; E654-E656 PolarHBondContact O-N 2.96Å
657	V	96.3	Very high	95.4	Very high	6 Å²	6	66.9 Å²	66.9	4%	0.036	33%	0.327	C	S	.	.	S	Bend	trans	-100	111.5	-173	-172.7	0	0	0	0	111.4	Y614 V616 E619 F622 R655	Y614-V657 HydrophobicContact CE2-CB 4.03Å; Y614-V657 HydrophobicContact CE2-CG1 3.72Å; Y614-V657 HydrophobicContact CE2-CG2 4.36Å; V616-V657 PolarHBondContact O-N 3.17Å; E619-V657 HydrophobicContact CB-CG2 4.47Å; F622-V657 HydrophobicContact CB-CG1 4.26Å; F622-V657 HydrophobicContact CB-CG2 3.81Å; F622-V657 HydrophobicContact CD1-CG1 4.14Å; F622-V657 HydrophobicContact CD2-CG1 3.96Å; F622-V657 HydrophobicContact CE2-CG1 4.35Å; F622-V657 HydrophobicContact CG-CG1 3.85Å; F622-V657 HydrophobicContact CG-CG2 4.28Å; R655-V657 VanDerWaalsContact CD-O 3.32Å; R655-V657 WeakPolarHBondContact CD-O 3.36Å; R655-V657 VanDerWaalsContact CG-O 3.23Å; R655-V657 WeakPolarHBondContact CG-O 3.33Å; R655-V657 PolarHBondContact NH1-O 2.89Å
658	Q	96.3	Very high	95.2	Very high	101 Å²	101	72.5 Å²	72.5	47%	0.472	36%	0.358	S	S	.	.			trans	-72.4	138.5	176.3	-62.3	-60	-32.4	0	0	112.1	E660 V661	Q658-E660 VanDerWaalsContact C-N 3.27Å; Q658-E660 PolarHBondContact O-N 3.47Å; Q658-V661 HydrophobicContact CB-CG2 4.11Å; Q658-V661 VanDerWaalsContact O-CB 3.31Å; Q658-V661 WeakPolarHBondContact O-CB 3.44Å; Q658-V661 WeakPolarHBondContact O-CG2 3.2Å; Q658-V661 PolarHBondContact O-N 3.36Å
659	K	95.6	Very high	94.9	Very high	87 Å²	87	72.4 Å²	72.4	38%	0.378	36%	0.362	S	S	.	.	H	α-helix	trans	-57.5	-37.9	-171.9	-176.9	179.7	174.6	-170.9	0	113.1	V661 G662 E663 F673 E675	K659-V661 PolarHBondContact O-N 3.44Å; K659-G662 PolarHBondContact O-N 3.35Å; K659-G662 VanDerWaalsContact O-N 3.11Å; K659-E663 WeakPolarHBondContact CE-OE1 3.27Å; K659-E663 IonicContact NZ-OE1 2.61Å; K659-E663 PolarHBondContact O-N 3.02Å; K659-F673 HydrophobicContact CG-CE1 3.89Å; K659-F673 HydrophobicContact CG-CZ 4.28Å; K659-E675 HydrophobicContact CD-CG 4.46Å; K659-E675 HydrophobicContact CG-CG 4.16Å
660	E	96.5	Very high	94.6	Very high	108 Å²	108	79.4 Å²	79.4	51%	0.505	39%	0.393	S	S	.	.	H	α-helix	trans	-66.2	-19.1	179.8	-56.9	70.5	-154.6	0	0	112.2	Q658 R664	Q658-E660 VanDerWaalsContact C-N 3.27Å; Q658-E660 PolarHBondContact O-N 3.47Å; E660-R664 WeakPolarHBondContact O-CB 3.3Å; E660-R664 WeakPolarHBondContact O-CG 3.37Å; E660-R664 PolarHBondContact O-N 2.94Å; E660-R664 PolarHBondContact O-NE 2.92Å
661	V	95.9	Very high	94.6	Very high	53 Å²	53	76.9 Å²	76.9	32%	0.321	38%	0.379	S	S	.	.	H	α-helix	trans	-78.2	-43	173.4	-167.7	0	0	0	0	110	F622 Q658 K659 R664 L665	F622-V661 HydrophobicContact CE1-CB 4.49Å; F622-V661 HydrophobicContact CE1-CG1 3.57Å; F622-V661 HydrophobicContact CZ-CB 4.4Å; F622-V661 HydrophobicContact CZ-CG1 3.77Å; Q658-V661 HydrophobicContact CB-CG2 4.11Å; Q658-V661 VanDerWaalsContact O-CB 3.31Å; Q658-V661 WeakPolarHBondContact O-CB 3.44Å; Q658-V661 WeakPolarHBondContact O-CG2 3.2Å; Q658-V661 PolarHBondContact O-N 3.36Å; K659-V661 PolarHBondContact O-N 3.44Å; V661-R664 PolarHBondContact O-N 3Å; V661-L665 PolarHBondContact O-N 2.9Å
662	G	94	Very high	94.7	Very high	0 Å²	0	75.1 Å²	75.1	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-61.2	-47.3	172.7	0	0	0	0	0	112.4	K659 R664 L665 A666	K659-G662 PolarHBondContact O-N 3.35Å; K659-G662 VanDerWaalsContact O-N 3.11Å; G662-R664 VanDerWaalsContact C-N 3.34Å; G662-R664 PolarHBondContact O-N 3.06Å; G662-L665 PolarHBondContact O-N 3.41Å; G662-A666 WeakPolarHBondContact O-CB 3.45Å; G662-A666 PolarHBondContact O-N 2.66Å
663	E	95.4	Very high	94.9	Very high	62 Å²	62	71.7 Å²	71.7	29%	0.29	36%	0.358	S	S	.	.	H	α-helix	trans	-59.9	-39.4	174.7	-80	-164.7	-150.7	0	0	113.4	K659 K667 F673	K659-E663 WeakPolarHBondContact CE-OE1 3.27Å; K659-E663 IonicContact NZ-OE1 2.61Å; K659-E663 PolarHBondContact O-N 3.02Å; E663-K667 WeakPolarHBondContact O-CB 3.49Å; E663-K667 VanDerWaalsContact O-CD 3.27Å; E663-K667 WeakPolarHBondContact O-CD 3.36Å; E663-K667 WeakPolarHBondContact O-CG 3.32Å; E663-K667 PolarHBondContact O-N 3.49Å; E663-K667 IonicContact OE2-NZ 2.7Å; E663-K667 PolarHBondContact OE2-NZ 2.9Å; E663-F673 HydrophobicContact CB-CD1 4.4Å; E663-F673 HydrophobicContact CG-CD1 3.48Å; E663-F673 VanDerWaalsContact CG-CD1 3.48Å; E663-F673 HydrophobicContact CG-CE1 3.59Å; E663-F673 HydrophobicContact CG-CG 4.48Å
664	R	96.3	Very high	95	Very high	145 Å²	145	68.5 Å²	68.5	55%	0.547	32%	0.324	S	S	.	.	H	α-helix	trans	-66.5	-49.3	176	-85.5	176.4	-73.4	168.2	-4.1	111.2	E660 V661 G662 A666 K667 D668	E660-R664 WeakPolarHBondContact O-CB 3.3Å; E660-R664 WeakPolarHBondContact O-CG 3.37Å; E660-R664 PolarHBondContact O-N 2.94Å; E660-R664 PolarHBondContact O-NE 2.92Å; V661-R664 PolarHBondContact O-N 3Å; G662-R664 VanDerWaalsContact C-N 3.34Å; G662-R664 PolarHBondContact O-N 3.06Å; R664-A666 VanDerWaalsContact C-N 3.26Å; R664-A666 PolarHBondContact O-N 3.03Å; R664-K667 PolarHBondContact O-N 3.42Å; R664-K667 VanDerWaalsContact O-N 3.14Å; R664-D668 WeakPolarHBondContact O-CB 3.38Å; R664-D668 PolarHBondContact O-N 3.43Å
665	L	94.4	Very high	95.2	Very high	8 Å²	8	64.4 Å²	64.4	4%	0.042	30%	0.304	C	S	.	.	H	α-helix	trans	-57.7	-40.9	178.4	-177.9	64.7	0	0	0	111.7	F622 V625 R626 L644 V661 G662 C669	F622-L665 HydrophobicContact CD2-CD2 4.47Å; F622-L665 HydrophobicContact CE1-CD2 4.31Å; F622-L665 HydrophobicContact CE2-CB 4.41Å; F622-L665 HydrophobicContact CE2-CD2 3.63Å; F622-L665 HydrophobicContact CZ-CB 3.94Å; F622-L665 HydrophobicContact CZ-CD2 3.53Å; F622-L665 HydrophobicContact CZ-CG 4.37Å; V625-L665 HydrophobicContact CB-CD2 4.21Å; V625-L665 HydrophobicContact CG1-CD2 3.8Å; R626-L665 HydrophobicContact CG-CD1 4.08Å; L644-L665 HydrophobicContact CD2-CD2 4.3Å; V661-L665 PolarHBondContact O-N 2.9Å; G662-L665 PolarHBondContact O-N 3.41Å; L665-C669 VanDerWaalsContact O-CB 3.25Å; L665-C669 WeakPolarHBondContact O-CB 3.4Å; L665-C669 PolarHBondContact O-N 2.73Å; L665-C669 PolarHBondContact O-SG 3.43Å
666	A	94.9	Very high	95.1	Very high	2 Å²	2	62.8 Å²	62.8	2%	0.017	30%	0.298	C	S	.	.	H	α-helix	trans	-64.9	-44.9	176.4	0	0	0	0	0	112.5	L644 G662 R664 C669 Q670 M671 F673	L644-A666 HydrophobicContact CD2-CB 4.27Å; G662-A666 WeakPolarHBondContact O-CB 3.45Å; G662-A666 PolarHBondContact O-N 2.66Å; R664-A666 VanDerWaalsContact C-N 3.26Å; R664-A666 PolarHBondContact O-N 3.03Å; A666-C669 CarbonylContact O-C 3.4Å; A666-C669 PolarHBondContact O-N 3.24Å; A666-Q670 PolarHBondContact O-N 2.89Å; A666-M671 HydrophobicContact CB-CB 4.09Å; A666-M671 PolarHBondContact O-N 3.49Å; A666-F673 HydrophobicContact CB-CB 3.68Å; A666-F673 HydrophobicContact CB-CG 4.39Å
667	K	94.4	Very high	95.2	Very high	136 Å²	136	57.1 Å²	57.1	59%	0.591	27%	0.272	S	S	*	.	H	α-helix	trans	-62	-45.1	176.1	-71.2	160.9	-165.9	164.9	0	111.6	E663 R664 C669 Q670	E663-K667 WeakPolarHBondContact O-CB 3.49Å; E663-K667 VanDerWaalsContact O-CD 3.27Å; E663-K667 WeakPolarHBondContact O-CD 3.36Å; E663-K667 WeakPolarHBondContact O-CG 3.32Å; E663-K667 PolarHBondContact O-N 3.49Å; E663-K667 IonicContact OE2-NZ 2.7Å; E663-K667 PolarHBondContact OE2-NZ 2.9Å; R664-K667 PolarHBondContact O-N 3.42Å; R664-K667 VanDerWaalsContact O-N 3.14Å; K667-C669 VanDerWaalsContact C-N 3.27Å; K667-C669 PolarHBondContact O-N 3.46Å; K667-Q670 PolarHBondContact O-N 2.83Å
668	D	93.1	Very high	95.1	Very high	120 Å²	120	57 Å²	57	64%	0.642	27%	0.271	S	S	*	.	H	α-helix	trans	-62.7	-32.3	177.4	-65.9	-16.1	0	0	0	112.6	R664	R664-D668 WeakPolarHBondContact O-CB 3.38Å; R664-D668 PolarHBondContact O-N 3.43Å
669	C	89.3	Confident	95	Very high	44 Å²	44	54.6 Å²	54.6	30%	0.297	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	5.7	-176.8	-67.7	0	0	0	0	114.4	L629 L665 A666 K667 M671	L629-C669 HydrophobicContact CD1-CB 4.26Å; L665-C669 VanDerWaalsContact O-CB 3.25Å; L665-C669 WeakPolarHBondContact O-CB 3.4Å; L665-C669 PolarHBondContact O-N 2.73Å; L665-C669 PolarHBondContact O-SG 3.43Å; A666-C669 CarbonylContact O-C 3.4Å; A666-C669 PolarHBondContact O-N 3.24Å; K667-C669 VanDerWaalsContact C-N 3.27Å; K667-C669 PolarHBondContact O-N 3.46Å; C669-M671 HydrophobicContact CB-CG 3.85Å; C669-M671 HydrophobicContact CB-SD 3.84Å; C669-M671 PolarHBondContact O-N 2.82Å
670	Q	90.6	Very high	94.9	Very high	179 Å²	179	54.1 Å²	54.1	84%	0.836	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	42.7	-176.8	-58.5	-178.2	-3.8	0	0	114	A666 K667	A666-Q670 PolarHBondContact O-N 2.89Å; K667-Q670 PolarHBondContact O-N 2.83Å
671	M	93.9	Very high	94.7	Very high	21 Å²	21	50.1 Å²	50.1	10%	0.103	26%	0.26	C	S	.	.			trans	-106	155.4	179.4	-54.6	174.7	71.5	0	0	111.6	V612 L629 I642 L644 A666 C669	V612-M671 HydrophobicContact CB-CE 4.37Å; V612-M671 HydrophobicContact CG2-CE 4.32Å; L629-M671 HydrophobicContact CD1-SD 3.76Å; L629-M671 HydrophobicContact CD2-CE 3.66Å; L629-M671 HydrophobicContact CD2-SD 3.68Å; L629-M671 HydrophobicContact CG-SD 4.33Å; I642-M671 HydrophobicContact CB-CE 4.1Å; I642-M671 HydrophobicContact CB-CG 4.44Å; I642-M671 HydrophobicContact CG2-CE 3.64Å; I642-M671 WeakPolarHBondContact O-CA 3.26Å; I642-M671 WeakPolarHBondContact O-CB 3.5Å; L644-M671 HydrophobicContact CB-CE 3.65Å; L644-M671 HydrophobicContact CB-SD 4.33Å; L644-M671 HydrophobicContact CD1-CE 4.43Å; A666-M671 HydrophobicContact CB-CB 4.09Å; A666-M671 PolarHBondContact O-N 3.49Å; C669-M671 HydrophobicContact CB-CG 3.85Å; C669-M671 HydrophobicContact CB-SD 3.84Å; C669-M671 PolarHBondContact O-N 2.82Å
672	T	95.4	Very high	94.6	Very high	36 Å²	36	49.4 Å²	49.4	22%	0.221	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	157.3	159.1	48.5	0	0	0	0	110.7	I642 M643 L644 I694	I642-T672 PolarHBondContact O-N 3.41Å; M643-T672 WeakPolarHBondContact CA-OG1 3.19Å; M643-T672 VanDerWaalsContact CB-OG1 3.3Å; M643-T672 WeakPolarHBondContact CB-OG1 3.46Å; M643-T672 WeakPolarHBondContact CG-OG1 3.39Å; L644-T672 PolarHBondContact N-O 3.43Å; T672-I694 HydrophobicContact CG2-CD1 3.52Å
673	F	97.5	Very high	94.7	Very high	33 Å²	33	52.7 Å²	52.7	15%	0.145	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	132.7	-177.9	175.2	-107.4	0	0	0	112.1	Y614 L644 K659 E663 A666 E675	Y614-F673 HydrophobicContact CE1-CE2 4.1Å; Y614-F673 WeakPolarHBondContact OH-CE2 3.45Å; L644-F673 HydrophobicContact CB-CD2 4.02Å; L644-F673 HydrophobicContact CD2-CD2 3.86Å; L644-F673 HydrophobicContact CD2-CE2 4.26Å; L644-F673 HydrophobicContact CG-CD2 3.87Å; L644-F673 HydrophobicContact CG-CE2 4.32Å; L644-F673 WeakPolarHBondContact O-CA 3.47Å; K659-F673 HydrophobicContact CG-CE1 3.89Å; K659-F673 HydrophobicContact CG-CZ 4.28Å; E663-F673 HydrophobicContact CB-CD1 4.4Å; E663-F673 HydrophobicContact CG-CD1 3.48Å; E663-F673 VanDerWaalsContact CG-CD1 3.48Å; E663-F673 HydrophobicContact CG-CE1 3.59Å; E663-F673 HydrophobicContact CG-CG 4.48Å; A666-F673 HydrophobicContact CB-CB 3.68Å; A666-F673 HydrophobicContact CB-CG 4.39Å; F673-E675 HydrophobicContact CE1-CG 3.89Å; F673-E675 HydrophobicContact CE2-CG 4.31Å; F673-E675 HydrophobicContact CZ-CG 3.46Å; F673-E675 VanDerWaalsContact CZ-CG 3.46Å
674	F	97.8	Very high	94.7	Very high	42 Å²	42	49.9 Å²	49.9	18%	0.184	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	150	166.3	-70.4	-102.4	0	0	0	109.6	M643 L644 L645 G646 H690	M643-F674 HydrophobicContact SD-CD2 3.74Å; M643-F674 HydrophobicContact SD-CE2 4.09Å; L644-F674 PolarHBondContact O-N 2.85Å; L644-F674 VanDerWaalsContact O-N 3.1Å; L645-F674 WeakPolarHBondContact CA-O 3.25Å; L645-F674 HydrophobicContact CD2-CB 3.73Å; G646-F674 PolarHBondContact N-O 3.47Å; F674-H690 HydrophobicContact CE2-CB 3.98Å; F674-H690 AromaticContact CE2-CD2 3.63Å; F674-H690 AromaticContact CE2-CG 3.8Å; F674-H690 HydrophobicContact CZ-CB 3.76Å; F674-H690 AromaticContact CZ-CD2 3.95Å; F674-H690 AromaticContact CZ-CG 3.66Å
675	E	97.3	Very high	94.6	Very high	17 Å²	17	45.7 Å²	45.7	8%	0.079	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	139.1	158.5	-58.4	-162.4	143.1	0	0	109.1	G646 T649 R655 K659 F673 N683	G646-E675 CarbonylContact O-C 3.23Å; G646-E675 VanDerWaalsContact O-CA 3.26Å; G646-E675 WeakPolarHBondContact O-CA 3.44Å; T649-E675 HydrophobicContact CG2-CB 3.62Å; T649-E675 HydrophobicContact CG2-CG 4.47Å; R655-E675 IonicContact CZ-OE1 3.3Å; R655-E675 IonicContact CZ-OE2 2.73Å; R655-E675 IonicContact NH1-OE1 2.73Å; R655-E675 PolarHBondContact NH1-OE1 3.42Å; R655-E675 IonicContact NH1-OE2 3.18Å; R655-E675 PolarHBondContact NH1-OE2 2.88Å; R655-E675 IonicContact NH2-OE1 2.67Å; R655-E675 IonicContact NH2-OE2 2.64Å; R655-E675 PolarHBondContact NH2-OE2 3.48Å; K659-E675 HydrophobicContact CD-CG 4.46Å; K659-E675 HydrophobicContact CG-CG 4.16Å; F673-E675 HydrophobicContact CE1-CG 3.89Å; F673-E675 HydrophobicContact CE2-CG 4.31Å; F673-E675 HydrophobicContact CZ-CG 3.46Å; F673-E675 VanDerWaalsContact CZ-CG 3.46Å; E675-N683 WeakPolarHBondContact O-CB 3.46Å; E675-N683 PolarHBondContact O-ND2 2.95Å
676	C	96.9	Very high	94.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.287	C	S	.	.			trans	-139.3	165.5	-171.1	-59.9	0	0	0	0	111.4	I550 G646 N647 K648 T649 A682 V684	I550-C676 HydrophobicContact CD1-CB 4.1Å; G646-C676 PolarHBondContact O-N 2.88Å; N647-C676 CarbonylContact C-O 3.57Å; N647-C676 VanDerWaalsContact CA-O 3.31Å; N647-C676 WeakPolarHBondContact CA-O 3.19Å; N647-C676 PolarHBondContact OD1-O 3.3Å; K648-C676 PolarHBondContact N-O 2.89Å; T649-C676 PolarHBondContact N-O 2.95Å; T649-C676 PolarHBondContact OG1-O 3.29Å; C676-A682 VanDerWaalsContact CA-O 3.31Å; C676-A682 WeakPolarHBondContact CA-O 3.43Å; C676-V684 HydrophobicContact CB-CG2 4.27Å
677	S	96.6	Very high	94.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.286	C	S	.	.			trans	-136.7	112.3	171.1	164.4	0	0	0	0	110	D650 C679 S680 G681 A682	D650-S677 VanDerWaalsContact OD1-CB 3.24Å; D650-S677 WeakPolarHBondContact OD1-CB 3.36Å; D650-S677 PolarHBondContact OD1-OG 3.29Å; S677-C679 PolarHBondContact O-N 3.41Å; S677-C679 PolarHBondContact OG-N 3.02Å; S677-S680 WeakPolarHBondContact CB-OG 3.36Å; S677-S680 PolarHBondContact OG-N 3.24Å; S677-S680 PolarHBondContact OG-OG 3.2Å; S677-G681 CarbonylContact O-C 3.38Å; S677-G681 VanDerWaalsContact O-CA 3.27Å; S677-G681 WeakPolarHBondContact O-CA 3.48Å; S677-G681 PolarHBondContact O-N 2.71Å; S677-A682 PolarHBondContact N-O 3.06Å; S677-A682 PolarHBondContact O-N 2.88Å
678	A	95.1	Very high	94.8	Very high	3 Å²	3	44.6 Å²	44.6	3%	0.025	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-33.7	170.6	0	0	0	0	0	112.4	I550 R553 F559 N647	I550-A678 HydrophobicContact CG1-CB 3.83Å; R553-A678 PolarHBondContact NE-O 3.01Å; F559-A678 HydrophobicContact CD2-CB 4.07Å; F559-A678 WeakPolarHBondContact CD2-O 3.41Å; F559-A678 HydrophobicContact CE2-CB 4.18Å; N647-A678 PolarHBondContact OD1-N 2.89Å; N647-A678 VanDerWaalsContact OD1-N 3.13Å
679	C	93.6	Very high	94.9	Very high	50 Å²	50	41 Å²	41	34%	0.338	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-57	-178.1	-170.9	0	0	0	0	111.2	R553 F559 D650 S677	R553-C679 PolarHBondContact NH2-O 3.44Å; F559-C679 HydrophobicContact CD1-CB 4.38Å; F559-C679 HydrophobicContact CD2-CB 4.46Å; F559-C679 HydrophobicContact CE1-CB 4.15Å; F559-C679 HydrophobicContact CE2-CB 4.24Å; F559-C679 HydrophobicContact CZ-CB 4.07Å; D650-C679 HydrophobicContact CB-CB 4.37Å; S677-C679 PolarHBondContact O-N 3.41Å; S677-C679 PolarHBondContact OG-N 3.02Å
680	S	92.9	Very high	95.2	Very high	78 Å²	78	42.1 Å²	42.1	55%	0.545	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-16.5	-178.3	65.2	0	0	0	0	114.7	S677 A682	S677-S680 WeakPolarHBondContact CB-OG 3.36Å; S677-S680 PolarHBondContact OG-N 3.24Å; S677-S680 PolarHBondContact OG-OG 3.2Å; S680-A682 VanDerWaalsContact C-N 3.29Å; S680-A682 WeakPolarHBondContact OG-CB 3.5Å; S680-A682 PolarHBondContact OG-N 2.77Å
681	G	92.6	Very high	95.5	Very high	23 Å²	23	33.6 Å²	33.6	24%	0.237	20%	0.201	C	C	.	.			trans	85.1	-7.7	-171.9	0	0	0	0	0	114.6	S677 N683 V684	S677-G681 CarbonylContact O-C 3.38Å; S677-G681 VanDerWaalsContact O-CA 3.27Å; S677-G681 WeakPolarHBondContact O-CA 3.48Å; S677-G681 PolarHBondContact O-N 2.71Å; G681-N683 PolarHBondContact O-N 3.24Å; G681-V684 PolarHBondContact O-N 3.37Å
682	A	94.9	Very high	95.5	Very high	39 Å²	39	32.6 Å²	32.6	32%	0.322	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	127.6	-174.9	0	0	0	0	0	112.7	C676 S677 S680 V684	C676-A682 VanDerWaalsContact CA-O 3.31Å; C676-A682 WeakPolarHBondContact CA-O 3.43Å; S677-A682 PolarHBondContact N-O 3.06Å; S677-A682 PolarHBondContact O-N 2.88Å; S680-A682 VanDerWaalsContact C-N 3.29Å; S680-A682 WeakPolarHBondContact OG-CB 3.5Å; S680-A682 PolarHBondContact OG-N 2.77Å; A682-V684 PolarHBondContact O-N 2.92Å
683	N	94.6	Very high	95.5	Very high	69 Å²	69	34.7 Å²	34.7	37%	0.369	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	4.6	178.4	-50.9	-14.6	0	0	0	116.1	E675 G681 S687	E675-N683 WeakPolarHBondContact O-CB 3.46Å; E675-N683 PolarHBondContact O-ND2 2.95Å; G681-N683 PolarHBondContact O-N 3.24Å; N683-S687 WeakPolarHBondContact O-CB 3.49Å; N683-S687 PolarHBondContact O-N 2.68Å; N683-S687 VanDerWaalsContact O-N 3.08Å; N683-S687 PolarHBondContact O-OG 3.02Å
684	V	95.7	Very high	95.4	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-67.3	-48.5	-177.2	175	0	0	0	0	111.6	I550 R553 F554 C676 G681 A682 S687 M688	I550-V684 HydrophobicContact CG1-CG2 4.45Å; I550-V684 HydrophobicContact CG2-CG1 4.26Å; R553-V684 HydrophobicContact CB-CG1 4.39Å; R553-V684 HydrophobicContact CG-CB 4.22Å; R553-V684 HydrophobicContact CG-CG1 4.02Å; R553-V684 HydrophobicContact CG-CG2 4.12Å; F554-V684 HydrophobicContact CB-CG1 3.98Å; C676-V684 HydrophobicContact CB-CG2 4.27Å; G681-V684 PolarHBondContact O-N 3.37Å; A682-V684 PolarHBondContact O-N 2.92Å; V684-S687 PolarHBondContact O-OG 3.34Å; V684-S687 VanDerWaalsContact O-OG 3.09Å; V684-M688 WeakPolarHBondContact O-CG 3.38Å; V684-M688 PolarHBondContact O-N 2.99Å
685	A	94.5	Very high	95.2	Very high	57 Å²	57	33 Å²	33	47%	0.471	19%	0.193	S	C	.	.	H	α-helix	trans	-67.7	-41.2	176.2	0	0	0	0	0	112.3	M688 V689	A685-M688 PolarHBondContact O-N 2.94Å; A685-V689 WeakPolarHBondContact O-CG2 3.37Å; A685-V689 PolarHBondContact O-N 2.9Å
686	E	95.5	Very high	95.1	Very high	123 Å²	123	33.3 Å²	33.3	58%	0.575	20%	0.195	S	C	*	.	H	α-helix	trans	-63	-45.5	-176.6	-61.9	-171.3	171.4	0	0	112.7	V689 H690	E686-V689 PolarHBondContact O-N 3.28Å; E686-H690 VanDerWaalsContact O-CB 3.28Å; E686-H690 WeakPolarHBondContact O-CB 3.46Å; E686-H690 PolarHBondContact O-N 3.06Å
687	S	96.6	Very high	94.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.9	-41.5	177.7	54.7	0	0	0	0	112.5	M643 N683 V684 H690 L691	M643-S687 WeakPolarHBondContact CE-O 3.31Å; N683-S687 WeakPolarHBondContact O-CB 3.49Å; N683-S687 PolarHBondContact O-N 2.68Å; N683-S687 VanDerWaalsContact O-N 3.08Å; N683-S687 PolarHBondContact O-OG 3.02Å; V684-S687 PolarHBondContact O-OG 3.34Å; V684-S687 VanDerWaalsContact O-OG 3.09Å; S687-H690 PolarHBondContact O-N 3.32Å; S687-L691 PolarHBondContact O-N 2.86Å
688	M	95.6	Very high	94.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67	-42.2	176.5	-65.9	-66.6	-176.7	0	0	112.3	I550 L551 F554 L587 I611 V684 A685 H690 L691 A692	I550-M688 HydrophobicContact CG2-CE 3.76Å; L551-M688 HydrophobicContact CD2-CE 4.45Å; F554-M688 HydrophobicContact CD1-CB 4.49Å; F554-M688 HydrophobicContact CD1-CG 4.06Å; F554-M688 HydrophobicContact CD2-CB 3.93Å; F554-M688 HydrophobicContact CD2-CG 3.78Å; F554-M688 HydrophobicContact CE1-CB 4.05Å; F554-M688 HydrophobicContact CE1-CG 4.09Å; F554-M688 HydrophobicContact CE2-CB 3.45Å; F554-M688 VanDerWaalsContact CE2-CB 3.45Å; F554-M688 HydrophobicContact CE2-CG 3.84Å; F554-M688 HydrophobicContact CG-CB 4.43Å; F554-M688 HydrophobicContact CG-CG 3.91Å; F554-M688 HydrophobicContact CZ-CB 3.51Å; F554-M688 HydrophobicContact CZ-CG 3.99Å; L587-M688 HydrophobicContact CD2-SD 4.45Å; I611-M688 HydrophobicContact CD1-CE 3.8Å; I611-M688 HydrophobicContact CD1-SD 3.66Å; V684-M688 WeakPolarHBondContact O-CG 3.38Å; V684-M688 PolarHBondContact O-N 2.99Å; A685-M688 PolarHBondContact O-N 2.94Å; M688-H690 VanDerWaalsContact C-N 3.34Å; M688-L691 PolarHBondContact O-N 3.23Å; M688-A692 WeakPolarHBondContact O-CB 3.41Å; M688-A692 PolarHBondContact O-N 2.84Å
689	V	95.4	Very high	94.3	Very high	45 Å²	45	44.1 Å²	44.1	27%	0.273	25%	0.245	S	C	.	.	H	α-helix	trans	-64.1	-39.1	174.1	169.9	0	0	0	0	111.3	I576 A685 E686 A692 R693	I576-V689 HydrophobicContact CD1-CG2 3.98Å; A685-V689 WeakPolarHBondContact O-CG2 3.37Å; A685-V689 PolarHBondContact O-N 2.9Å; E686-V689 PolarHBondContact O-N 3.28Å; V689-A692 PolarHBondContact O-N 2.83Å; V689-R693 PolarHBondContact O-N 2.85Å
690	H	96.1	Very high	94.1	Very high	66 Å²	66	44.3 Å²	44.3	31%	0.306	24%	0.242	S	C	.	.	H	α-helix	trans	-65	-43.9	176.8	-172.8	91.8	0	0	0	112.1	F674 E686 S687 M688 R693 I694	F674-H690 HydrophobicContact CE2-CB 3.98Å; F674-H690 AromaticContact CE2-CD2 3.63Å; F674-H690 AromaticContact CE2-CG 3.8Å; F674-H690 HydrophobicContact CZ-CB 3.76Å; F674-H690 AromaticContact CZ-CD2 3.95Å; F674-H690 AromaticContact CZ-CG 3.66Å; E686-H690 VanDerWaalsContact O-CB 3.28Å; E686-H690 WeakPolarHBondContact O-CB 3.46Å; E686-H690 PolarHBondContact O-N 3.06Å; S687-H690 PolarHBondContact O-N 3.32Å; M688-H690 VanDerWaalsContact C-N 3.34Å; H690-R693 PolarHBondContact O-N 3.4Å; H690-I694 PolarHBondContact O-N 2.84Å; H690-I694 VanDerWaalsContact O-N 3.17Å
691	L	95.9	Very high	93.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-45	173.6	179.2	64.3	0	0	0	111.5	V537 I611 P641 M643 S687 M688 R693 I694 L695	V537-L691 HydrophobicContact CG1-CD2 3.69Å; V537-L691 HydrophobicContact CG2-CD2 3.99Å; I611-L691 HydrophobicContact CD1-CD2 3.83Å; I611-L691 HydrophobicContact CG1-CD2 3.75Å; P641-L691 HydrophobicContact CB-CD1 4.2Å; M643-L691 HydrophobicContact CE-CB 3.91Å; M643-L691 HydrophobicContact CE-CD2 4.14Å; M643-L691 HydrophobicContact SD-CB 4.4Å; S687-L691 PolarHBondContact O-N 2.86Å; M688-L691 PolarHBondContact O-N 3.23Å; L691-R693 VanDerWaalsContact C-N 3.29Å; L691-R693 PolarHBondContact O-N 3.21Å; L691-I694 PolarHBondContact O-N 3.35Å; L691-I694 VanDerWaalsContact O-N 3.15Å; L691-L695 HydrophobicContact CD1-CD1 4.24Å; L691-L695 HydrophobicContact CD1-CG 4.32Å; L691-L695 HydrophobicContact CD2-CD1 4.44Å; L691-L695 HydrophobicContact CG-CD1 3.86Å; L691-L695 HydrophobicContact CG-CG 4.39Å; L691-L695 WeakPolarHBondContact O-CG 3.41Å; L691-L695 PolarHBondContact O-N 3.48Å
692	A	95.7	Very high	93.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-35.5	178.7	0	0	0	0	0	113	I576 V578 V583 L585 M688 V689 K696	I576-A692 HydrophobicContact CD1-CB 3.72Å; V578-A692 HydrophobicContact CG2-CB 3.89Å; V583-A692 HydrophobicContact CG1-CB 4.35Å; L585-A692 HydrophobicContact CD1-CB 4.35Å; L585-A692 HydrophobicContact CD2-CB 4.06Å; M688-A692 WeakPolarHBondContact O-CB 3.41Å; M688-A692 PolarHBondContact O-N 2.84Å; V689-A692 PolarHBondContact O-N 2.83Å; A692-K696 WeakPolarHBondContact O-CB 3.26Å; A692-K696 PolarHBondContact O-N 3.5Å
693	R	95.6	Very high	92.9	Very high	80 Å²	80	52.3 Å²	52.3	30%	0.302	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-47.5	171.8	-179.4	177.1	-66.9	120.6	-1.3	111.7	V578 D579 V689 H690 L691 L695 K696 E697	V578-R693 HydrophobicContact CG1-CB 3.92Å; D579-R693 IonicContact OD1-CZ 3.73Å; D579-R693 IonicContact OD1-NE 3.52Å; D579-R693 PolarHBondContact OD1-NE 2.97Å; D579-R693 IonicContact OD1-NH2 3.6Å; D579-R693 PolarHBondContact OD1-NH2 2.91Å; D579-R693 IonicContact OD2-CZ 2.68Å; D579-R693 IonicContact OD2-NE 3.21Å; D579-R693 PolarHBondContact OD2-NE 3.3Å; D579-R693 IonicContact OD2-NH2 3.96Å; D579-R693 PolarHBondContact OD2-NH2 3.12Å; V689-R693 PolarHBondContact O-N 2.85Å; H690-R693 PolarHBondContact O-N 3.4Å; L691-R693 VanDerWaalsContact C-N 3.29Å; L691-R693 PolarHBondContact O-N 3.21Å; R693-L695 VanDerWaalsContact C-N 3.32Å; R693-L695 PolarHBondContact O-N 2.81Å; R693-K696 WeakPolarHBondContact O-CB 3.33Å; R693-K696 PolarHBondContact O-N 2.85Å; R693-E697 WeakPolarHBondContact CD-OE1 3.41Å; R693-E697 HydrophobicContact CG-CG 4.4Å; R693-E697 VanDerWaalsContact CG-OE1 3.25Å; R693-E697 WeakPolarHBondContact CG-OE1 3.29Å; R693-E697 WeakPolarHBondContact O-CG 3.35Å; R693-E697 PolarHBondContact O-N 2.92Å
694	I	94.8	Very high	92.3	Very high	34 Å²	34	54.7 Å²	54.7	17%	0.174	27%	0.266	C	S	.	.	H	α-helix	trans	-61.8	-40.9	179	-68	168.8	0	0	0	111.4	P641 T672 H690 L691 E697 Q698	P641-I694 HydrophobicContact CB-CG2 3.88Å; P641-I694 HydrophobicContact CG-CG2 3.78Å; T672-I694 HydrophobicContact CG2-CD1 3.52Å; H690-I694 PolarHBondContact O-N 2.84Å; H690-I694 VanDerWaalsContact O-N 3.17Å; L691-I694 PolarHBondContact O-N 3.35Å; L691-I694 VanDerWaalsContact O-N 3.15Å; I694-E697 PolarHBondContact O-N 3.41Å; I694-Q698 WeakPolarHBondContact O-CG 3.23Å; I694-Q698 PolarHBondContact O-N 3.36Å
695	L	94.2	Very high	91.5	Very high	5 Å²	5	60.1 Å²	60.1	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-63.5	-43.8	176.4	-67.9	166.8	0	0	0	111.6	F535 V537 D608 P641 L691 R693 Q698 E699	F535-L695 HydrophobicContact CB-CD1 4Å; F535-L695 HydrophobicContact CD1-CB 4.23Å; F535-L695 HydrophobicContact CD2-CB 3.65Å; F535-L695 HydrophobicContact CD2-CD1 4.28Å; F535-L695 HydrophobicContact CE1-CB 4.29Å; F535-L695 HydrophobicContact CE2-CB 3.73Å; F535-L695 HydrophobicContact CG-CB 3.93Å; F535-L695 HydrophobicContact CG-CD1 4.21Å; F535-L695 HydrophobicContact CZ-CB 4.06Å; V537-L695 HydrophobicContact CG2-CD1 3.82Å; D608-L695 VanDerWaalsContact C-CD2 3.47Å; D608-L695 HydrophobicContact CB-CD2 4.08Å; D608-L695 WeakPolarHBondContact O-CD2 3.17Å; P641-L695 HydrophobicContact CB-CD2 4.45Å; P641-L695 HydrophobicContact CG-CD2 3.91Å; L691-L695 HydrophobicContact CD1-CD1 4.24Å; L691-L695 HydrophobicContact CD1-CG 4.32Å; L691-L695 HydrophobicContact CD2-CD1 4.44Å; L691-L695 HydrophobicContact CG-CD1 3.86Å; L691-L695 HydrophobicContact CG-CG 4.39Å; L691-L695 WeakPolarHBondContact O-CG 3.41Å; L691-L695 PolarHBondContact O-N 3.48Å; R693-L695 VanDerWaalsContact C-N 3.32Å; R693-L695 PolarHBondContact O-N 2.81Å; L695-Q698 PolarHBondContact O-N 2.92Å; L695-E699 WeakPolarHBondContact O-CB 3.47Å; L695-E699 PolarHBondContact O-N 3.41Å
696	K	93.4	Very high	90.5	Very high	25 Å²	25	61.2 Å²	61.2	11%	0.109	29%	0.29	C	S	.	.	H	α-helix	trans	-58.4	-49.4	173.4	-175.9	-174.9	-178.9	-171	0	111.8	R533 F535 V578 D579 A692 R693 E699 D700	R533-K696 PolarHBondContact NH1-O 3.16Å; F535-K696 HydrophobicContact CE2-CB 4.34Å; V578-K696 PolarHBondContact O-NZ 3.41Å; D579-K696 PolarHBondContact O-NZ 2.84Å; A692-K696 WeakPolarHBondContact O-CB 3.26Å; A692-K696 PolarHBondContact O-N 3.5Å; R693-K696 WeakPolarHBondContact O-CB 3.33Å; R693-K696 PolarHBondContact O-N 2.85Å; K696-E699 PolarHBondContact O-N 3.48Å; K696-D700 PolarHBondContact O-N 3.06Å
697	E	92.6	Very high	89.4	Confident	100 Å²	100	60 Å²	60	47%	0.467	29%	0.291	S	S	.	.	H	α-helix	trans	-62.4	-41.3	178.7	-73.9	174.8	-163.2	0	0	112.7	R693 I694 D700 Q701	R693-E697 WeakPolarHBondContact CD-OE1 3.41Å; R693-E697 HydrophobicContact CG-CG 4.4Å; R693-E697 VanDerWaalsContact CG-OE1 3.25Å; R693-E697 WeakPolarHBondContact CG-OE1 3.29Å; R693-E697 WeakPolarHBondContact O-CG 3.35Å; R693-E697 PolarHBondContact O-N 2.92Å; I694-E697 PolarHBondContact O-N 3.41Å; E697-D700 PolarHBondContact O-N 3.39Å; E697-Q701 WeakPolarHBondContact O-CG 3.38Å; E697-Q701 PolarHBondContact O-N 2.9Å
698	Q	90.4	Very high	87.9	Confident	72 Å²	72	65.9 Å²	65.9	34%	0.336	32%	0.319	S	S	.	.	H	α-helix	trans	-68.3	-41.4	176.3	-76	-157.8	-7.1	0	0	112.5	P641 I694 L695 D700 Q701 Q702	P641-Q698 VanDerWaalsContact CD-OE1 3.29Å; P641-Q698 HydrophobicContact CG-CG 4.44Å; I694-Q698 WeakPolarHBondContact O-CG 3.23Å; I694-Q698 PolarHBondContact O-N 3.36Å; L695-Q698 PolarHBondContact O-N 2.92Å; Q698-D700 VanDerWaalsContact C-N 3.31Å; Q698-D700 PolarHBondContact O-N 3.15Å; Q698-Q701 PolarHBondContact O-N 3.05Å; Q698-Q702 WeakPolarHBondContact O-CG 3.37Å; Q698-Q702 PolarHBondContact O-N 2.88Å
699	E	90.1	Very high	86.2	Confident	58 Å²	58	72.1 Å²	72.1	27%	0.271	35%	0.351	S	S	.	.	H	α-helix	trans	-62.5	-40.7	176.3	-159.9	-152.4	-178.5	0	0	111	R533 F535 L695 K696 Q702 K703	R533-E699 WeakPolarHBondContact CD-OE2 3.39Å; R533-E699 IonicContact CZ-OE2 2.65Å; R533-E699 IonicContact NE-OE2 2.66Å; R533-E699 IonicContact NH1-OE2 3.17Å; R533-E699 PolarHBondContact NH1-OE2 3.09Å; F535-E699 HydrophobicContact CE1-CB 4.04Å; F535-E699 HydrophobicContact CE1-CG 4.2Å; F535-E699 HydrophobicContact CZ-CB 4.06Å; L695-E699 WeakPolarHBondContact O-CB 3.47Å; L695-E699 PolarHBondContact O-N 3.41Å; K696-E699 PolarHBondContact O-N 3.48Å; E699-Q702 PolarHBondContact O-N 3.34Å; E699-K703 VanDerWaalsContact CD-CE 3.41Å; E699-K703 HydrophobicContact CG-CD 4.46Å; E699-K703 VanDerWaalsContact O-CG 3.3Å; E699-K703 WeakPolarHBondContact O-CG 3.34Å; E699-K703 PolarHBondContact O-N 3.34Å; E699-K703 WeakPolarHBondContact OE1-CE 3.39Å; E699-K703 IonicContact OE1-NZ 2.76Å; E699-K703 PolarHBondContact OE1-NZ 3.45Å; E699-K703 IonicContact OE2-NZ 3.18Å; E699-K703 PolarHBondContact OE2-NZ 2.83Å
700	D	89.3	Confident	84.6	Confident	54 Å²	54	76.7 Å²	76.7	29%	0.289	37%	0.372	S	S	.	.	H	α-helix	trans	-64.6	-43.7	174.7	-74.7	-27.2	0	0	0	112.1	R533 K696 E697 Q698 Q702 K703 E704	R533-D700 IonicContact CZ-OD1 2.73Å; R533-D700 IonicContact CZ-OD2 3.82Å; R533-D700 IonicContact NH1-OD1 3.6Å; R533-D700 PolarHBondContact NH1-OD1 3.34Å; R533-D700 IonicContact NH1-OD2 2.71Å; R533-D700 PolarHBondContact NH1-OD2 3.5Å; R533-D700 IonicContact NH2-OD1 3.85Å; R533-D700 PolarHBondContact NH2-OD1 2.87Å; R533-D700 IonicContact NH2-OD2 3.3Å; R533-D700 PolarHBondContact NH2-OD2 2.95Å; K696-D700 PolarHBondContact O-N 3.06Å; E697-D700 PolarHBondContact O-N 3.39Å; Q698-D700 VanDerWaalsContact C-N 3.31Å; Q698-D700 PolarHBondContact O-N 3.15Å; D700-Q702 VanDerWaalsContact C-N 3.3Å; D700-Q702 PolarHBondContact O-N 2.9Å; D700-K703 PolarHBondContact O-N 3.31Å; D700-E704 WeakPolarHBondContact O-CG 3.26Å; D700-E704 PolarHBondContact O-N 3.4Å
701	Q	88.1	Confident	82.7	Confident	93 Å²	93	77.7 Å²	77.7	44%	0.435	39%	0.387	S	S	.	.	H	α-helix	trans	-61.1	-35.3	173.6	-73.5	177.2	40.8	0	0	113.1	E697 Q698 K705	E697-Q701 WeakPolarHBondContact O-CG 3.38Å; E697-Q701 PolarHBondContact O-N 2.9Å; Q698-Q701 PolarHBondContact O-N 3.05Å; Q701-K705 WeakPolarHBondContact O-CB 3.26Å; Q701-K705 VanDerWaalsContact O-CD 3.25Å; Q701-K705 WeakPolarHBondContact O-CD 3.31Å; Q701-K705 WeakPolarHBondContact O-CG 3.36Å; Q701-K705 PolarHBondContact O-N 2.98Å; Q701-K705 VanDerWaalsContact O-N 3.1Å
702	Q	83.9	Confident	80.2	Confident	123 Å²	123	81.3 Å²	81.3	58%	0.575	41%	0.412	S	S	*	.	H	α-helix	trans	-71.9	-39	175.4	-70.4	-168.8	27.2	0	0	111.8	Q698 E699 D700 T706	Q698-Q702 WeakPolarHBondContact O-CG 3.37Å; Q698-Q702 PolarHBondContact O-N 2.88Å; E699-Q702 PolarHBondContact O-N 3.34Å; D700-Q702 VanDerWaalsContact C-N 3.3Å; D700-Q702 PolarHBondContact O-N 2.9Å; Q702-T706 WeakPolarHBondContact O-CB 3.4Å; Q702-T706 PolarHBondContact O-N 3.25Å; Q702-T706 PolarHBondContact O-OG1 2.92Å
703	K	82.6	Confident	77.9	Confident	91 Å²	91	87 Å²	87	40%	0.396	45%	0.449	S	S	.	.	H	α-helix	trans	-60.3	-48.5	172.3	-73.2	166.3	-179.9	171.6	0	111.1	E699 D700 T706 V707	E699-K703 VanDerWaalsContact CD-CE 3.41Å; E699-K703 HydrophobicContact CG-CD 4.46Å; E699-K703 VanDerWaalsContact O-CG 3.3Å; E699-K703 WeakPolarHBondContact O-CG 3.34Å; E699-K703 PolarHBondContact O-N 3.34Å; E699-K703 WeakPolarHBondContact OE1-CE 3.39Å; E699-K703 IonicContact OE1-NZ 2.76Å; E699-K703 PolarHBondContact OE1-NZ 3.45Å; E699-K703 IonicContact OE2-NZ 3.18Å; E699-K703 PolarHBondContact OE2-NZ 2.83Å; D700-K703 PolarHBondContact O-N 3.31Å; K703-T706 WeakPolarHBondContact O-CB 3.4Å; K703-T706 PolarHBondContact O-N 2.85Å; K703-V707 WeakPolarHBondContact O-CG2 3.38Å; K703-V707 PolarHBondContact O-N 2.9Å
704	E	82.3	Confident	75.7	Confident	120 Å²	120	88.3 Å²	88.3	56%	0.561	47%	0.47	S	S	*	.	H	α-helix	trans	-59.6	-47.8	177.1	-74.9	-169.4	166.5	0	0	112.9	D700 T706 V707 Q708	D700-E704 WeakPolarHBondContact O-CG 3.26Å; D700-E704 PolarHBondContact O-N 3.4Å; E704-T706 PolarHBondContact O-N 3.49Å; E704-V707 PolarHBondContact O-N 3.34Å; E704-Q708 WeakPolarHBondContact O-CG 3.3Å; E704-Q708 PolarHBondContact O-N 3.36Å
705	K	78.3	Confident	73.5	Confident	116 Å²	116	96.3 Å²	96.3	50%	0.504	50%	0.504	S	S	.	.	H	α-helix	trans	-57.3	-39.6	176.6	-72.2	162.4	-167.2	167	0	111.5	Q701 L709	Q701-K705 WeakPolarHBondContact O-CB 3.26Å; Q701-K705 VanDerWaalsContact O-CD 3.25Å; Q701-K705 WeakPolarHBondContact O-CD 3.31Å; Q701-K705 WeakPolarHBondContact O-CG 3.36Å; Q701-K705 PolarHBondContact O-N 2.98Å; Q701-K705 VanDerWaalsContact O-N 3.1Å; K705-L709 WeakPolarHBondContact O-CG 3.49Å; K705-L709 PolarHBondContact O-N 2.95Å
706	T	73.3	Confident	71.3	Confident	81 Å²	81	107.5 Å²	107.5	50%	0.497	55%	0.546	S	S	.	.	H	α-helix	trans	-67.2	-44.3	177.6	-54.6	0	0	0	0	111.9	Q702 K703 E704 L709 I710	Q702-T706 WeakPolarHBondContact O-CB 3.4Å; Q702-T706 PolarHBondContact O-N 3.25Å; Q702-T706 PolarHBondContact O-OG1 2.92Å; K703-T706 WeakPolarHBondContact O-CB 3.4Å; K703-T706 PolarHBondContact O-N 2.85Å; E704-T706 PolarHBondContact O-N 3.49Å; T706-L709 PolarHBondContact O-N 3.44Å; T706-I710 HydrophobicContact CG2-CD1 4.41Å; T706-I710 WeakPolarHBondContact O-CG1 3.44Å; T706-I710 PolarHBondContact O-N 3.39Å
707	V	72.4	Confident	69.3	Low	98 Å²	98	117.7 Å²	117.7	59%	0.594	58%	0.584	S	S	*	*	H	α-helix	trans	-64	-41.1	176.1	173.2	0	0	0	0	111.5	K703 E704 L709 I710 S711	K703-V707 WeakPolarHBondContact O-CG2 3.38Å; K703-V707 PolarHBondContact O-N 2.9Å; E704-V707 PolarHBondContact O-N 3.34Å; V707-L709 PolarHBondContact O-N 2.99Å; V707-I710 PolarHBondContact O-N 2.97Å; V707-S711 PolarHBondContact O-N 2.74Å
708	Q	66.1	Low	67.3	Low	123 Å²	123	118 Å²	118	58%	0.575	60%	0.597	S	S	*	*	H	α-helix	trans	-62.3	-42	178.7	-73.4	179.6	26.6	0	0	112.3	E704 I710 S711 S712	E704-Q708 WeakPolarHBondContact O-CG 3.3Å; E704-Q708 PolarHBondContact O-N 3.36Å; Q708-I710 PolarHBondContact O-N 2.89Å; Q708-S711 PolarHBondContact O-N 2.81Å; Q708-S711 PolarHBondContact O-OG 3.31Å; Q708-S712 PolarHBondContact O-N 3.26Å
709	L	60.5	Low	65.3	Low	130 Å²	130	120.5 Å²	120.5	68%	0.681	62%	0.621	S	S	*	*	H	α-helix	trans	-58.3	-46.2	175.9	-73.9	166.8	0	0	0	112	K705 T706 V707 S711 S712	K705-L709 WeakPolarHBondContact O-CG 3.49Å; K705-L709 PolarHBondContact O-N 2.95Å; T706-L709 PolarHBondContact O-N 3.44Å; V707-L709 PolarHBondContact O-N 2.99Å; L709-S711 VanDerWaalsContact C-N 3.29Å; L709-S711 PolarHBondContact O-N 3.23Å; L709-S712 PolarHBondContact O-N 2.88Å; L709-S712 PolarHBondContact O-OG 2.93Å
710	I	60.3	Low	63.3	Low	141 Å²	141	127.1 Å²	127.1	72%	0.723	67%	0.672	S	S	*	*	H	α-helix	trans	-64.4	-34.1	178.1	-63.4	166.4	0	0	0	111.5	T706 V707 Q708 S712	T706-I710 HydrophobicContact CG2-CD1 4.41Å; T706-I710 WeakPolarHBondContact O-CG1 3.44Å; T706-I710 PolarHBondContact O-N 3.39Å; V707-I710 PolarHBondContact O-N 2.97Å; Q708-I710 PolarHBondContact O-N 2.89Å; I710-S712 PolarHBondContact O-N 3.4Å
711	S	56.3	Low	62	Low	87 Å²	87	130.8 Å²	130.8	61%	0.608	69%	0.691	S	S	*	*	H	α-helix	trans	-72.6	-11.6	-179.8	78	0	0	0	0	114.8	V707 Q708 L709 P713	V707-S711 PolarHBondContact O-N 2.74Å; Q708-S711 PolarHBondContact O-N 2.81Å; Q708-S711 PolarHBondContact O-OG 3.31Å; L709-S711 VanDerWaalsContact C-N 3.29Å; L709-S711 PolarHBondContact O-N 3.23Å; S711-P713 WeakPolarHBondContact O-CD 3.27Å
712	S	43.9	Very low	60.7	Low	76 Å²	76	132.8 Å²	132.8	53%	0.531	70%	0.704	S	S	.	*	S	Bend	trans	-77	116.8	-175.7	69.8	0	0	0	0	111.9	Q708 L709 I710 S714	Q708-S712 PolarHBondContact O-N 3.26Å; L709-S712 PolarHBondContact O-N 2.88Å; L709-S712 PolarHBondContact O-OG 2.93Å; I710-S712 PolarHBondContact O-N 3.4Å; S712-S714 PolarHBondContact O-N 2.83Å; S712-S714 VanDerWaalsContact O-N 3.09Å
713	P	47.3	Very low	59.4	Low	120 Å²	120	133.3 Å²	133.3	78%	0.779	71%	0.711	S	S	*	*			trans	-73.8	108.9	-178.3	28.7	-33.5	0	0	0	110.1	S711 K715	S711-P713 WeakPolarHBondContact O-CD 3.27Å; P713-K715 PolarHBondContact O-N 2.94Å
714	S	50	Low	58	Low	107 Å²	107	135.8 Å²	135.8	75%	0.748	73%	0.73	S	S	*	*			trans	-62.2	104.3	177.8	51.8	0	0	0	0	110.7	S712 R716	S712-S714 PolarHBondContact O-N 2.83Å; S712-S714 VanDerWaalsContact O-N 3.09Å; S714-R716 PolarHBondContact O-N 2.82Å
715	K	48.4	Very low	56.5	Low	202 Å²	202	136.8 Å²	136.8	88%	0.878	74%	0.74	S	S	*	*			trans	-62.1	95.2	174.7	-74.9	-174.2	177.8	178.9	0	109.3	P713 R717	P713-K715 PolarHBondContact O-N 2.94Å; K715-R717 PolarHBondContact O-N 2.9Å
716	R	47.9	Very low	55	Low	241 Å²	241	138.2 Å²	138.2	91%	0.909	76%	0.756	S	S	*	*			trans	-53.1	110.2	170.5	-70.9	-173.4	176.3	-164.3	-1.4	108.7	S714 S718	S714-R716 PolarHBondContact O-N 2.82Å; R716-S718 PolarHBondContact O-N 2.61Å
717	R	50.5	Low	53.7	Low	239 Å²	239	142.3 Å²	142.3	90%	0.902	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-70.5	117	164.7	-68.4	-176.6	178	-175.3	-0.3	106.8	K715	K715-R717 PolarHBondContact O-N 2.9Å
718	S	52.1	Low	52.3	Low	105 Å²	105	145.7 Å²	145.7	73%	0.734	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-68.6	126	164.6	49.2	0	0	0	0	108.5	R716	R716-S718 PolarHBondContact O-N 2.61Å
719	C	47	Very low	51.1	Low	126 Å²	126	147.6 Å²	147.6	85%	0.851	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-67.8	149.6	160.4	-65.4	0	0	0	0	109.5
720	C	49.3	Very low	50.3	Low	197 Å²	197	149.2 Å²	149.2	100%	1.331	82%	0.818	S	S	*	*			trans	-108.3	0	161.7	-62.7	0	0	0	0	108.2

Retrieved 720 of 720 residues in 413.4 ms (Link to these results)

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