A0A087XQ68_POEFO Loading...

Protein PAT1 homolog 1

AlphaFold DB , UniProt , Accession A0A087XQ68, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 728 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.8	Very low	32.5	Very low	225 Å²	225	168.5 Å²	168.5	100%	1.108	84%	0.842	S	S	*	*				0	127.8	0	-63.7	172.7	174.1	0	0	106.3
2	F	30.6	Very low	32.6	Very low	186 Å²	186	165.2 Å²	165.2	82%	0.816	84%	0.838	S	S	*	*			cis	-128.5	134.2	2.6	-67.5	-98.4	0	0	0	107.5
3	R	28.8	Very low	32.5	Very low	232 Å²	232	165 Å²	165	88%	0.875	84%	0.839	S	S	*	*				73.4	102.5	83	-158	179.9	-165	161.2	6.6	114.7
4	F	32.1	Very low	32.5	Very low	190 Å²	190	165.8 Å²	165.8	83%	0.833	84%	0.838	S	S	*	*			trans	6.9	137.7	158	-77.4	-94.9	0	0	0	121.1
5	Q	31.6	Very low	32.8	Very low	199 Å²	199	167.6 Å²	167.6	93%	0.93	84%	0.842	S	S	*	*				-117.5	150.1	126.3	-75	-175.8	-14.7	0	0	108.9
6	S	35.9	Very low	33.1	Very low	92 Å²	92	167.9 Å²	167.9	64%	0.643	84%	0.84	S	S	*	*			trans	-116.7	142.8	177.4	51.4	0	0	0	0	109.6
7	L	31.3	Very low	33.6	Very low	164 Å²	164	163.9 Å²	163.9	86%	0.859	82%	0.822	S	S	*	*			trans	-146.2	102.6	161.9	-104.5	168.1	0	0	0	107.3
8	D	31.7	Very low	34	Very low	144 Å²	144	161.9 Å²	161.9	77%	0.77	81%	0.814	S	S	*	*			trans	-85.4	132.5	163.5	-48.3	-86	0	0	0	107.4
9	D	34.1	Very low	34.4	Very low	150 Å²	150	156.1 Å²	156.1	80%	0.802	80%	0.799	S	S	*	*			trans	-160.1	152.5	161.4	-102.9	-38.1	0	0	0	109.1
10	D	35.7	Very low	34.5	Very low	148 Å²	148	153.5 Å²	153.5	79%	0.791	79%	0.786	S	S	*	*			trans	-60.1	128.8	-158	-69.5	-50.6	0	0	0	116.8
11	C	27.5	Very low	34.9	Very low	124 Å²	124	150.9 Å²	150.9	84%	0.838	77%	0.773	S	S	*	*			trans	-128.8	94.5	151.4	-95.6	0	0	0	0	109.1	L13	C11-L13 VanDerWaalsContact C-N 3.34Å; C11-L13 PolarHBondContact O-N 3.13Å
12	T	34.3	Very low	35.4	Very low	128 Å²	128	147.3 Å²	147.3	79%	0.785	75%	0.754	S	S	*	*			trans	-72.5	88	169.3	52.4	0	0	0	0	109.6
13	L	31.6	Very low	36	Very low	163 Å²	163	142.6 Å²	142.6	85%	0.853	73%	0.734	S	S	*	*			trans	-69.8	125.9	159.6	-89.3	165	0	0	0	108.2	C11	C11-L13 VanDerWaalsContact C-N 3.34Å; C11-L13 PolarHBondContact O-N 3.13Å
14	E	32.6	Very low	36.7	Very low	176 Å²	176	138.8 Å²	138.8	82%	0.822	73%	0.726	S	S	*	*			trans	-71.1	127.9	169.1	-59.1	-174.1	141.5	0	0	107.3	E16	E14-E16 PolarHBondContact O-N 2.85Å; E14-E16 VanDerWaalsContact O-N 3.08Å
15	E	37.1	Very low	37.5	Very low	193 Å²	193	134.9 Å²	134.9	90%	0.902	71%	0.714	S	S	*	*			trans	-71.3	100.9	174.3	-66.8	-177.7	144.6	0	0	107.6
16	E	37.3	Very low	38.5	Very low	172 Å²	172	129.3 Å²	129.3	80%	0.804	69%	0.688	S	S	*	*			trans	-66	147.2	177.4	-66.8	-172.3	143.5	0	0	111	E14 D18	E14-E16 PolarHBondContact O-N 2.85Å; E14-E16 VanDerWaalsContact O-N 3.08Å; E16-D18 VanDerWaalsContact C-N 3.31Å; E16-D18 PolarHBondContact O-N 2.84Å
17	D	41.7	Very low	39.1	Very low	101 Å²	101	129.9 Å²	129.9	54%	0.54	68%	0.683	S	S	.	*			trans	-85.1	65.3	-162.6	-157.1	-19.2	0	0	0	112.7	G19 L20	D17-G19 PolarHBondContact O-N 3.15Å; D17-L20 PolarHBondContact O-N 2.89Å; D17-L20 VanDerWaalsContact OD2-CD1 3.23Å; D17-L20 WeakPolarHBondContact OD2-CD1 3.4Å
18	D	40.8	Very low	40	Very low	128 Å²	128	127.2 Å²	127.2	68%	0.684	67%	0.669	S	S	*	*	H	α-helix	trans	-48.4	-31.3	178.5	-78.2	-29.5	0	0	0	112.8	E16	E16-D18 VanDerWaalsContact C-N 3.31Å; E16-D18 PolarHBondContact O-N 2.84Å
19	G	40.7	Very low	41.1	Very low	51 Å²	51	125.1 Å²	125.1	53%	0.526	66%	0.655	S	S	.	*	H	α-helix	trans	-75.4	-24.2	-177.6	0	0	0	0	0	115.2	D17	D17-G19 PolarHBondContact O-N 3.15Å
20	L	37.3	Very low	41.8	Very low	104 Å²	104	123.9 Å²	123.9	55%	0.545	64%	0.643	S	S	.	*	H	α-helix	trans	-81.1	-31.9	173.6	-74.1	-175.6	0	0	0	112.4	D17 E23 E24	D17-L20 PolarHBondContact O-N 2.89Å; D17-L20 VanDerWaalsContact OD2-CD1 3.23Å; D17-L20 WeakPolarHBondContact OD2-CD1 3.4Å; L20-E23 PolarHBondContact O-N 3.28Å; L20-E24 PolarHBondContact O-N 3.16Å
21	I	42.8	Very low	42.6	Very low	99 Å²	99	120.8 Å²	120.8	51%	0.508	63%	0.626	S	S	.	*	H	α-helix	trans	-62.4	-46	179.3	-59.5	171.9	0	0	0	109.8	E23 E24 D25	I21-E23 PolarHBondContact O-N 3.2Å; I21-E24 PolarHBondContact O-N 3.19Å; I21-D25 WeakPolarHBondContact O-CB 3.31Å; I21-D25 PolarHBondContact O-N 3.43Å
22	E	47.7	Very low	44	Very low	150 Å²	150	116.2 Å²	116.2	70%	0.701	59%	0.593	S	S	*	*	H	α-helix	trans	-60.1	-38.1	176.4	-70.7	-164.1	155.7	0	0	113.6	E26	E22-E26 WeakPolarHBondContact O-CB 3.41Å; E22-E26 WeakPolarHBondContact O-CG 3.39Å; E22-E26 PolarHBondContact O-N 3.3Å
23	E	43.5	Very low	45.1	Very low	86 Å²	86	114.1 Å²	114.1	40%	0.402	58%	0.577	S	S	.	*	H	α-helix	trans	-83.2	-24	-176.8	-147.6	171.4	-132.1	0	0	113	L20 I21 I27 R482	L20-E23 PolarHBondContact O-N 3.28Å; I21-E23 PolarHBondContact O-N 3.2Å; E23-I27 VanDerWaalsContact O-CD1 3.25Å; E23-I27 WeakPolarHBondContact O-CD1 3.3Å; E23-I27 VanDerWaalsContact O-CG1 3.22Å; E23-I27 WeakPolarHBondContact O-CG1 3.41Å; E23-I27 PolarHBondContact O-N 2.74Å; E23-R482 IonicContact OE1-CZ 3.95Å; E23-R482 IonicContact OE1-NH1 3.87Å; E23-R482 PolarHBondContact OE1-NH1 3.13Å; E23-R482 IonicContact OE1-NH2 2.85Å; E23-R482 PolarHBondContact OE1-NH2 3.43Å
24	E	44	Very low	46	Very low	152 Å²	152	110.5 Å²	110.5	71%	0.71	56%	0.562	S	S	*	*	H	α-helix	trans	-76.6	-42.4	166.5	-69.5	-158.6	144.4	0	0	112.2	L20 I21 E26 I27 D28	L20-E24 PolarHBondContact O-N 3.16Å; I21-E24 PolarHBondContact O-N 3.19Å; E24-E26 PolarHBondContact O-N 2.87Å; E24-I27 PolarHBondContact O-N 3.44Å; E24-I27 VanDerWaalsContact O-N 3.1Å; E24-D28 PolarHBondContact O-N 3.33Å; E24-D28 VanDerWaalsContact O-N 3.1Å
25	D	49.5	Very low	46.8	Very low	108 Å²	108	110.2 Å²	110.2	58%	0.578	56%	0.558	S	S	*	*	H	α-helix	trans	-61.5	-39.7	174.6	-84.9	-14.7	0	0	0	111.8	I21 I27 Q29	I21-D25 WeakPolarHBondContact O-CB 3.31Å; I21-D25 PolarHBondContact O-N 3.43Å; D25-I27 VanDerWaalsContact C-N 3.31Å; D25-I27 PolarHBondContact O-N 2.96Å; D25-Q29 VanDerWaalsContact O-CB 3.23Å; D25-Q29 WeakPolarHBondContact O-CB 3.25Å; D25-Q29 PolarHBondContact O-N 2.87Å
26	E	51.8	Low	47.1	Very low	83 Å²	83	102.4 Å²	102.4	39%	0.388	53%	0.53	S	S	.	.	H	α-helix	trans	-56.6	-44.2	171.8	-93.5	-161.7	176.5	0	0	111.6	E22 E24 F30 K478	E22-E26 WeakPolarHBondContact O-CB 3.41Å; E22-E26 WeakPolarHBondContact O-CG 3.39Å; E22-E26 PolarHBondContact O-N 3.3Å; E24-E26 PolarHBondContact O-N 2.87Å; E26-F30 VanDerWaalsContact O-CD2 3.32Å; E26-F30 WeakPolarHBondContact O-CD2 3.49Å; E26-F30 PolarHBondContact O-N 3.25Å; E26-K478 IonicContact OE1-NZ 3.99Å; E26-K478 PolarHBondContact OE1-NZ 3.31Å; E26-K478 IonicContact OE2-NZ 2.87Å; E26-K478 PolarHBondContact OE2-NZ 3.49Å
27	I	47.6	Very low	47.8	Very low	103 Å²	103	96.1 Å²	96.1	53%	0.528	51%	0.508	S	S	.	.	H	α-helix	trans	-67.4	-44.8	-175.1	-72.3	166.3	0	0	0	110.8	E23 E24 D25 F30 N31	E23-I27 VanDerWaalsContact O-CD1 3.25Å; E23-I27 WeakPolarHBondContact O-CD1 3.3Å; E23-I27 VanDerWaalsContact O-CG1 3.22Å; E23-I27 WeakPolarHBondContact O-CG1 3.41Å; E23-I27 PolarHBondContact O-N 2.74Å; E24-I27 PolarHBondContact O-N 3.44Å; E24-I27 VanDerWaalsContact O-N 3.1Å; D25-I27 VanDerWaalsContact C-N 3.31Å; D25-I27 PolarHBondContact O-N 2.96Å; I27-F30 PolarHBondContact O-N 3.43Å; I27-N31 PolarHBondContact O-N 2.73Å; I27-N31 PolarHBondContact O-ND2 3.38Å
28	D	50.6	Low	48.1	Very low	108 Å²	108	94.8 Å²	94.8	58%	0.578	52%	0.518	S	S	*	.	H	α-helix	trans	-72.8	-33.7	-179.6	-132.7	30.8	0	0	0	111.7	E24 F30 N31 D32	E24-D28 PolarHBondContact O-N 3.33Å; E24-D28 VanDerWaalsContact O-N 3.1Å; D28-F30 VanDerWaalsContact C-N 3.28Å; D28-F30 PolarHBondContact O-N 2.93Å; D28-N31 PolarHBondContact O-N 2.93Å; D28-N31 PolarHBondContact OD1-ND2 3.3Å; D28-D32 WeakPolarHBondContact O-CB 3.45Å; D28-D32 PolarHBondContact O-N 3.16Å
29	Q	54.7	Low	48.3	Very low	100 Å²	100	92.6 Å²	92.6	47%	0.467	52%	0.517	S	S	.	.	H	α-helix	trans	-57.2	-38.6	171.1	-170.6	80.3	119.1	0	0	112.2	D25 D32 D33	D25-Q29 VanDerWaalsContact O-CB 3.23Å; D25-Q29 WeakPolarHBondContact O-CB 3.25Å; D25-Q29 PolarHBondContact O-N 2.87Å; Q29-D32 PolarHBondContact O-N 3.46Å; Q29-D33 WeakPolarHBondContact O-CB 3.29Å; Q29-D33 PolarHBondContact O-N 3.41Å; Q29-D33 VanDerWaalsContact O-OD1 3.07Å
30	F	49.9	Very low	48.5	Very low	125 Å²	125	96.9 Å²	96.9	55%	0.548	53%	0.527	S	S	.	.	H	α-helix	trans	-72.8	-32.8	177	-90.3	-73	0	0	0	114.1	E26 I27 D28 T34	E26-F30 VanDerWaalsContact O-CD2 3.32Å; E26-F30 WeakPolarHBondContact O-CD2 3.49Å; E26-F30 PolarHBondContact O-N 3.25Å; I27-F30 PolarHBondContact O-N 3.43Å; D28-F30 VanDerWaalsContact C-N 3.28Å; D28-F30 PolarHBondContact O-N 2.93Å; F30-T34 WeakPolarHBondContact O-CB 3.44Å; F30-T34 PolarHBondContact O-N 3.27Å; F30-T34 PolarHBondContact O-OG1 3.03Å
31	N	52	Low	49	Very low	83 Å²	83	96.1 Å²	96.1	44%	0.444	52%	0.523	S	S	.	.	H	α-helix	trans	-65.2	-45.7	171.1	-70.5	-38.6	0	0	0	110.4	I27 D28 D33 T34 F35	I27-N31 PolarHBondContact O-N 2.73Å; I27-N31 PolarHBondContact O-ND2 3.38Å; D28-N31 PolarHBondContact O-N 2.93Å; D28-N31 PolarHBondContact OD1-ND2 3.3Å; N31-D33 PolarHBondContact O-N 2.78Å; N31-T34 PolarHBondContact O-N 3.34Å; N31-T34 VanDerWaalsContact O-N 3.11Å; N31-F35 PolarHBondContact O-N 3.03Å
32	D	56.9	Low	49.2	Very low	27 Å²	27	98.5 Å²	98.5	14%	0.144	54%	0.537	C	S	.	.	H	α-helix	trans	-63	-37.8	-179.5	-169	51.9	0	0	0	112.6	D28 Q29 T34 G36 A37 R628 R632	D28-D32 WeakPolarHBondContact O-CB 3.45Å; D28-D32 PolarHBondContact O-N 3.16Å; Q29-D32 PolarHBondContact O-N 3.46Å; D32-T34 VanDerWaalsContact C-N 3.31Å; D32-T34 PolarHBondContact O-N 3.05Å; D32-G36 WeakPolarHBondContact O-CA 3.34Å; D32-G36 PolarHBondContact O-N 3.22Å; D32-A37 VanDerWaalsContact OD1-CA 3.29Å; D32-A37 WeakPolarHBondContact OD1-CA 3.44Å; D32-A37 WeakPolarHBondContact OD1-CB 3.4Å; D32-A37 PolarHBondContact OD1-N 2.7Å; D32-R628 IonicContact OD2-CZ 2.8Å; D32-R628 IonicContact OD2-NE 3.57Å; D32-R628 PolarHBondContact OD2-NE 3.37Å; D32-R628 IonicContact OD2-NH2 3.48Å; D32-R628 PolarHBondContact OD2-NH2 3.44Å; D32-R632 IonicContact OD2-NH2 2.78Å
33	D	56.7	Low	49.5	Very low	85 Å²	85	96.2 Å²	96.2	46%	0.455	53%	0.53	S	S	.	.	H	α-helix	trans	-72.7	-21.3	174.8	-84.5	55.5	0	0	0	113.9	Q29 N31 R632	Q29-D33 WeakPolarHBondContact O-CB 3.29Å; Q29-D33 PolarHBondContact O-N 3.41Å; Q29-D33 VanDerWaalsContact O-OD1 3.07Å; N31-D33 PolarHBondContact O-N 2.78Å; D33-R632 IonicContact OD1-CZ 3.85Å; D33-R632 IonicContact OD1-NH1 3.01Å; D33-R632 PolarHBondContact OD1-NH1 3.42Å; D33-R632 IonicContact OD1-NH2 2.81Å; D33-R632 PolarHBondContact OD1-NH2 3.24Å; D33-R632 IonicContact OD2-CZ 2.67Å; D33-R632 IonicContact OD2-NH1 3.14Å; D33-R632 PolarHBondContact OD2-NH1 3.19Å; D33-R632 IonicContact OD2-NH2 2.65Å
34	T	51.9	Low	50.2	Low	86 Å²	86	100.2 Å²	100.2	53%	0.528	54%	0.541	S	S	.	.	H	α-helix	trans	-92.8	-36.8	-178.6	-55	0	0	0	0	112.9	F30 N31 D32	F30-T34 WeakPolarHBondContact O-CB 3.44Å; F30-T34 PolarHBondContact O-N 3.27Å; F30-T34 PolarHBondContact O-OG1 3.03Å; N31-T34 PolarHBondContact O-N 3.34Å; N31-T34 VanDerWaalsContact O-N 3.11Å; D32-T34 VanDerWaalsContact C-N 3.31Å; D32-T34 PolarHBondContact O-N 3.05Å
35	F	49.1	Very low	50.3	Low	170 Å²	170	99 Å²	99	75%	0.746	54%	0.536	S	S	*	.	H	α-helix	trans	-122.6	-27.7	-174.1	-63	-79.1	0	0	0	114.5	N31	N31-F35 PolarHBondContact O-N 3.03Å
36	G	43.3	Very low	50.5	Low	30 Å²	30	100.2 Å²	100.2	31%	0.309	54%	0.537	S	S	.	.			trans	81.2	131.9	-175.5	0	0	0	0	0	114.3	D32 G38 A39	D32-G36 WeakPolarHBondContact O-CA 3.34Å; D32-G36 PolarHBondContact O-N 3.22Å; G36-G38 PolarHBondContact O-N 3.04Å; G36-A39 PolarHBondContact O-N 3.23Å
37	A	51.1	Low	51	Low	40 Å²	40	102.3 Å²	102.3	33%	0.331	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-45.3	-38.2	-177.8	0	0	0	0	0	114.8	D32 A39 I40	D32-A37 VanDerWaalsContact OD1-CA 3.29Å; D32-A37 WeakPolarHBondContact OD1-CA 3.44Å; D32-A37 WeakPolarHBondContact OD1-CB 3.4Å; D32-A37 PolarHBondContact OD1-N 2.7Å; A37-A39 PolarHBondContact O-N 2.75Å; A37-I40 PolarHBondContact O-N 3.12Å
38	G	47.3	Very low	51.7	Low	73 Å²	73	103.2 Å²	103.2	75%	0.753	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-65.5	24.2	180	0	0	0	0	0	116.3	G36	G36-G38 PolarHBondContact O-N 3.04Å
39	A	46.2	Very low	52.3	Low	82 Å²	82	103.8 Å²	103.8	68%	0.678	55%	0.547	S	S	*	.	G	3₁₀ helix	trans	-107	-5.4	163.1	0	0	0	0	0	113	G36 A37	G36-A39 PolarHBondContact O-N 3.23Å; A37-A39 PolarHBondContact O-N 2.75Å
40	I	45.7	Very low	53	Low	141 Å²	141	107.7 Å²	107.7	72%	0.723	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.6	-30.2	-178.9	-53	-180	0	0	0	111.4	A37 D42	A37-I40 PolarHBondContact O-N 3.12Å; I40-D42 PolarHBondContact O-N 3.43Å
41	D	45.9	Very low	53.4	Low	88 Å²	88	106.8 Å²	106.8	47%	0.471	56%	0.557	S	S	.	*			trans	-57.5	-11.7	179.4	-70.8	25.2	0	0	0	116.4	D43 Q666	D41-D43 VanDerWaalsContact C-N 3.3Å; D41-D43 PolarHBondContact O-N 3.36Å; D41-Q666 PolarHBondContact OD2-NE2 2.88Å
42	D	47.3	Very low	53.6	Low	148 Å²	148	105.3 Å²	105.3	79%	0.791	56%	0.557	S	S	*	*	S	Bend	trans	-73.8	90.1	165.7	-86.1	-18	0	0	0	107.9	I40 W44	I40-D42 PolarHBondContact O-N 3.43Å; D42-W44 PolarHBondContact O-N 3.38Å
43	D	53.8	Low	53.3	Low	103 Å²	103	109.1 Å²	109.1	55%	0.551	57%	0.574	S	S	*	*			trans	-70.5	65.1	-172.5	-151	-27.9	0	0	0	112.5	D41 Q45 E46 E47	D41-D43 VanDerWaalsContact C-N 3.3Å; D41-D43 PolarHBondContact O-N 3.36Å; D43-Q45 PolarHBondContact O-N 2.91Å; D43-Q45 VanDerWaalsContact O-N 3.14Å; D43-E46 PolarHBondContact O-N 3.09Å; D43-E47 PolarHBondContact O-N 3.11Å
44	W	58.2	Low	52.9	Low	169 Å²	169	109.8 Å²	109.8	64%	0.64	58%	0.576	S	S	*	*	H	α-helix	trans	-63.2	-24.1	-168.7	73	-87.1	0	0	0	112.6	D42 H48	D42-W44 PolarHBondContact O-N 3.38Å; W44-H48 WeakPolarHBondContact O-CB 3.39Å; W44-H48 PolarHBondContact O-N 3.44Å
45	Q	46.6	Very low	52.6	Low	128 Å²	128	111.6 Å²	111.6	60%	0.598	58%	0.583	S	S	*	*	H	α-helix	trans	-71.2	-44	173.5	-67.8	-165.1	6.7	0	0	110.8	D43 K49	D43-Q45 PolarHBondContact O-N 2.91Å; D43-Q45 VanDerWaalsContact O-N 3.14Å; Q45-K49 WeakPolarHBondContact O-CB 3.2Å; Q45-K49 PolarHBondContact O-N 2.96Å
46	E	54.5	Low	52.6	Low	132 Å²	132	111.2 Å²	111.2	62%	0.617	58%	0.584	S	S	*	*	H	α-helix	trans	-73.9	-37.6	179.1	-153.4	176.1	-114.7	0	0	111.8	D43 K49 R50	D43-E46 PolarHBondContact O-N 3.09Å; E46-K49 PolarHBondContact O-N 3.38Å; E46-R50 WeakPolarHBondContact O-CB 3.42Å; E46-R50 PolarHBondContact O-N 3.14Å
47	E	60.9	Low	52.5	Low	127 Å²	127	119.7 Å²	119.7	59%	0.593	61%	0.606	S	S	*	*	H	α-helix	trans	-66.4	-45.2	172.5	-169.8	174.9	-131.1	0	0	112	D43 K49 R50 L51	D43-E47 PolarHBondContact O-N 3.11Å; E47-K49 VanDerWaalsContact C-N 3.31Å; E47-K49 PolarHBondContact O-N 3.13Å; E47-R50 PolarHBondContact O-N 3.46Å; E47-L51 HydrophobicContact CG-CD1 4.01Å; E47-L51 HydrophobicContact CG-CG 4.4Å; E47-L51 WeakPolarHBondContact O-CB 3.4Å; E47-L51 VanDerWaalsContact O-CG 3.28Å; E47-L51 WeakPolarHBondContact O-CG 3.1Å; E47-L51 PolarHBondContact O-N 3.2Å
48	H	63.9	Low	51.9	Low	123 Å²	123	125 Å²	125	57%	0.569	63%	0.629	S	S	*	*	H	α-helix	trans	-66.6	-32.9	177	-169.9	-41.3	0	0	0	111.9	W44 A52	W44-H48 WeakPolarHBondContact O-CB 3.39Å; W44-H48 PolarHBondContact O-N 3.44Å; H48-A52 WeakPolarHBondContact O-CB 3.46Å; H48-A52 PolarHBondContact O-N 2.78Å
49	K	62.5	Low	51.4	Low	120 Å²	120	124.3 Å²	124.3	52%	0.522	62%	0.622	S	S	.	*	H	α-helix	trans	-66.1	-48.3	171.6	178.2	-178.6	169	-169.7	0	111.1	Q45 E46 E47 L51 A52 E53	Q45-K49 WeakPolarHBondContact O-CB 3.2Å; Q45-K49 PolarHBondContact O-N 2.96Å; E46-K49 PolarHBondContact O-N 3.38Å; E47-K49 VanDerWaalsContact C-N 3.31Å; E47-K49 PolarHBondContact O-N 3.13Å; K49-L51 VanDerWaalsContact C-N 3.3Å; K49-L51 PolarHBondContact O-N 3.3Å; K49-A52 PolarHBondContact O-N 3.22Å; K49-E53 WeakPolarHBondContact CE-OE1 3.37Å; K49-E53 HydrophobicContact CG-CG 4.46Å; K49-E53 WeakPolarHBondContact CG-OE1 3.35Å; K49-E53 IonicContact NZ-OE1 3.69Å; K49-E53 WeakPolarHBondContact O-CG 3.34Å; K49-E53 PolarHBondContact O-N 2.85Å
50	R	68.2	Low	50.9	Low	181 Å²	181	128.7 Å²	128.7	68%	0.683	63%	0.633	S	S	*	*	H	α-helix	trans	-60.5	-36.8	176.8	-178.7	-179.1	176.8	-166.7	-0.5	112.9	E46 E47 L54	E46-R50 WeakPolarHBondContact O-CB 3.42Å; E46-R50 PolarHBondContact O-N 3.14Å; E47-R50 PolarHBondContact O-N 3.46Å; R50-L54 PolarHBondContact O-N 3Å
51	L	58.5	Low	50.4	Low	107 Å²	107	125.3 Å²	125.3	56%	0.56	63%	0.632	S	S	*	*	H	α-helix	trans	-70.9	-33.5	173.8	-72.1	169.1	0	0	0	112.3	E47 K49	E47-L51 HydrophobicContact CG-CD1 4.01Å; E47-L51 HydrophobicContact CG-CG 4.4Å; E47-L51 WeakPolarHBondContact O-CB 3.4Å; E47-L51 VanDerWaalsContact O-CG 3.28Å; E47-L51 WeakPolarHBondContact O-CG 3.1Å; E47-L51 PolarHBondContact O-N 3.2Å; K49-L51 VanDerWaalsContact C-N 3.3Å; K49-L51 PolarHBondContact O-N 3.3Å
52	A	57.7	Low	49.7	Very low	52 Å²	52	126.2 Å²	126.2	43%	0.43	65%	0.653	S	S	.	*	H	α-helix	trans	-73.6	-39.5	174.6	0	0	0	0	0	112.8	H48 K49 L54 D55	H48-A52 WeakPolarHBondContact O-CB 3.46Å; H48-A52 PolarHBondContact O-N 2.78Å; K49-A52 PolarHBondContact O-N 3.22Å; A52-L54 PolarHBondContact O-N 2.91Å; A52-D55 PolarHBondContact O-N 3.03Å
53	E	50.4	Low	48.8	Very low	107 Å²	107	123 Å²	123	50%	0.5	66%	0.655	S	S	.	*	H	α-helix	trans	-68.8	-19	178.1	-72.9	177.9	-174.9	0	0	113.4	K49	K49-E53 WeakPolarHBondContact CE-OE1 3.37Å; K49-E53 HydrophobicContact CG-CG 4.46Å; K49-E53 WeakPolarHBondContact CG-OE1 3.35Å; K49-E53 IonicContact NZ-OE1 3.69Å; K49-E53 WeakPolarHBondContact O-CG 3.34Å; K49-E53 PolarHBondContact O-N 2.85Å
54	L	48.6	Very low	47.7	Very low	98 Å²	98	130.5 Å²	130.5	51%	0.513	68%	0.675	S	S	.	*	H	α-helix	trans	-71.2	-38.4	170.8	-85.2	164	0	0	0	112.4	R50 A52 E56 R57	R50-L54 PolarHBondContact O-N 3Å; A52-L54 PolarHBondContact O-N 2.91Å; L54-E56 PolarHBondContact O-N 3.43Å; L54-R57 PolarHBondContact O-N 2.94Å
55	D	45.5	Very low	46.3	Very low	124 Å²	124	125.6 Å²	125.6	66%	0.663	68%	0.677	S	S	*	*	H	α-helix	trans	-66.4	-25.1	-178.1	-125.3	29.1	0	0	0	112.2	A52	A52-D55 PolarHBondContact O-N 3.03Å
56	E	47.7	Very low	45.5	Very low	163 Å²	163	128.2 Å²	128.2	76%	0.762	69%	0.694	S	S	*	*	H	α-helix	trans	-80.5	-25	175.6	-64.9	-155.7	151.7	0	0	114	L54	L54-E56 PolarHBondContact O-N 3.43Å
57	R	41.4	Very low	44.2	Very low	208 Å²	208	125.9 Å²	125.9	79%	0.785	71%	0.706	S	S	*	*	H	α-helix	trans	-81.3	-28.2	-176.4	-77.6	-179.5	68.8	-176	1.2	114.2	L54 G59	L54-R57 PolarHBondContact O-N 2.94Å; R57-G59 VanDerWaalsContact C-N 3.28Å
58	D	39.4	Very low	42.7	Very low	152 Å²	152	123.9 Å²	123.9	81%	0.813	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-1.6	175.3	-75.3	-10.7	0	0	0	112.9	L60	D58-L60 PolarHBondContact O-N 2.87Å
59	G	35.8	Very low	40.9	Very low	58 Å²	58	121.8 Å²	121.8	60%	0.598	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-11.6	-175.7	0	0	0	0	0	116.9	R57 G61	R57-G59 VanDerWaalsContact C-N 3.28Å; G59-G61 PolarHBondContact O-N 3.38Å
60	L	36.2	Very low	39.3	Very low	174 Å²	174	123.9 Å²	123.9	91%	0.911	75%	0.747	S	S	*	*	S	Bend	trans	-103.2	47.5	-172.9	-65.6	178.3	0	0	0	113.4	D58	D58-L60 PolarHBondContact O-N 2.87Å
61	G	34.3	Very low	37.4	Very low	69 Å²	69	120.4 Å²	120.4	71%	0.711	75%	0.751	S	S	*	*	S	Bend	trans	-119.3	-25.3	-167.2	0	0	0	0	0	119	G59	G59-G61 PolarHBondContact O-N 3.38Å
62	A	31.1	Very low	35.9	Very low	108 Å²	108	120.9 Å²	120.9	89%	0.893	76%	0.763	S	S	*	*			trans	-164	139.3	-179	0	0	0	0	0	114.4
63	G	30.4	Very low	35	Very low	81 Å²	81	124.5 Å²	124.5	84%	0.835	78%	0.782	S	S	*	*			trans	135.8	76.7	153	0	0	0	0	0	118.7
64	R	30.1	Very low	33.9	Very low	259 Å²	259	122.8 Å²	122.8	98%	0.977	79%	0.793	S	S	*	*			trans	-150.8	133.2	144.1	-121.4	174.7	-172	-99.1	-0.4	110.3
65	G	28.8	Very low	33.7	Very low	66 Å²	66	124.2 Å²	124.2	68%	0.68	81%	0.808	S	S	*	*			trans	-135.4	162.8	-175.9	0	0	0	0	0	113.4
66	L	29.8	Very low	32.9	Very low	184 Å²	184	122.9 Å²	122.9	96%	0.963	81%	0.814	S	S	*	*			trans	49.9	104.2	146.5	-56.8	174.8	0	0	0	118.5
67	G	27.1	Very low	31.9	Very low	83 Å²	83	120.5 Å²	120.5	86%	0.856	82%	0.816	S	S	*	*			trans	-112.1	137.5	136.1	0	0	0	0	0	108.4
68	G	28.8	Very low	31.4	Very low	85 Å²	85	114.8 Å²	114.8	88%	0.876	81%	0.813	S	S	*	*			trans	-108	152.9	-177.5	0	0	0	0	0	113.1
69	G	27.5	Very low	30.9	Very low	78 Å²	78	112.7 Å²	112.7	80%	0.804	82%	0.817	S	S	*	*			trans	-176.4	62.6	-175.5	0	0	0	0	0	117.1
70	D	27	Very low	30.5	Very low	164 Å²	164	113.5 Å²	113.5	88%	0.877	83%	0.825	S	S	*	*			trans	67.2	162	149.5	-143.7	-3.7	0	0	0	121.7
71	S	28.6	Very low	30.2	Very low	108 Å²	108	117.1 Å²	117.1	76%	0.755	83%	0.827	S	S	*	*			trans	71.6	115.3	166.1	62.7	0	0	0	0	121.5
72	S	26.8	Very low	29.9	Very low	118 Å²	118	121.6 Å²	121.6	83%	0.825	83%	0.833	S	S	*	*			trans	-70.9	168.6	162	-73	0	0	0	0	112.6
73	P	39.5	Very low	30.5	Very low	128 Å²	128	121.8 Å²	121.8	83%	0.831	83%	0.826	S	S	*	*			cis	-137.2	-178.7	24.5	39.9	-19.5	0	0	0	117.6
74	G	27.4	Very low	30.4	Very low	71 Å²	71	125 Å²	125	73%	0.732	82%	0.823	S	S	*	*			trans	-87.8	-142.3	178.1	0	0	0	0	0	114.8
75	P	43.9	Very low	30.2	Very low	127 Å²	127	120.3 Å²	120.3	83%	0.825	82%	0.816	S	S	*	*			cis	-139.3	-163.2	20.3	44.5	-25.9	0	0	0	115.8
76	A	28.5	Very low	30.1	Very low	96 Å²	96	120.7 Å²	120.7	79%	0.793	82%	0.821	S	S	*	*			trans	73.7	153.1	161.6	0	0	0	0	0	118.5
77	S	28.4	Very low	30	Very low	113 Å²	113	122 Å²	122	79%	0.79	82%	0.819	S	S	*	*			cis	-169.5	156.1	-21.7	-179.8	0	0	0	0	110.2
78	A	29.6	Very low	29.9	Very low	89 Å²	89	123.7 Å²	123.7	74%	0.736	82%	0.817	S	S	*	*			trans	57.3	126.9	169.2	0	0	0	0	0	117.8
79	A	29.4	Very low	29.8	Very low	108 Å²	108	124.8 Å²	124.8	89%	0.893	81%	0.812	S	S	*	*			cis	86.5	122.2	39.3	0	0	0	0	0	115.1
80	G	28.1	Very low	29.8	Very low	74 Å²	74	124.8 Å²	124.8	76%	0.763	81%	0.812	S	S	*	*			trans	129.9	98.5	156.1	0	0	0	0	0	118.4
81	R	29.2	Very low	30.5	Very low	250 Å²	250	123.2 Å²	123.2	94%	0.943	81%	0.81	S	S	*	*			trans	52.2	127.3	136.7	-70	-176.9	169.9	-171.3	-3.7	122
82	L	28.3	Very low	31.1	Very low	163 Å²	163	124.3 Å²	124.3	85%	0.853	82%	0.815	S	S	*	*			trans	-59	168.9	147.8	-56.5	171.7	0	0	0	111.1
83	P	44	Very low	31.2	Very low	113 Å²	113	121.9 Å²	121.9	73%	0.734	81%	0.809	S	S	*	*			cis	-149.8	-177.7	19.8	46.5	-27	0	0	0	118.8
84	L	27	Very low	30.9	Very low	149 Å²	149	124.3 Å²	124.3	78%	0.78	81%	0.809	S	S	*	*			trans	83.1	118.5	136.4	-150.4	68.6	0	0	0	122.5
85	L	27	Very low	31	Very low	159 Å²	159	127.9 Å²	127.9	83%	0.832	81%	0.811	S	S	*	*			trans	51.3	133.3	147.5	-66	171.2	0	0	0	122.4
86	G	25.6	Very low	30.6	Very low	75 Å²	75	126.5 Å²	126.5	77%	0.773	81%	0.811	S	S	*	*			trans	164.9	104.6	157.8	0	0	0	0	0	114.5
87	F	27.2	Very low	30.9	Very low	212 Å²	212	129.6 Å²	129.6	93%	0.93	81%	0.814	S	S	*	*			trans	-102.8	117	175.4	-92.3	-87.1	0	0	0	111.9
88	S	26.6	Very low	31.1	Very low	117 Å²	117	130.4 Å²	130.4	82%	0.818	81%	0.805	S	S	*	*			trans	173.1	152.5	156.4	-90.2	0	0	0	0	111.5
89	S	26.9	Very low	31.4	Very low	109 Å²	109	136.2 Å²	136.2	76%	0.762	81%	0.808	S	S	*	*			cis	-170	133.7	-24.6	42.4	0	0	0	0	111.4
90	G	26.3	Very low	31.6	Very low	78 Å²	78	136.9 Å²	136.9	80%	0.804	81%	0.806	S	S	*	*			trans	62.7	-176.9	166.9	0	0	0	0	0	118.2
91	P	42.2	Very low	31.8	Very low	130 Å²	130	136.9 Å²	136.9	84%	0.844	81%	0.806	S	S	*	*			cis	-115.4	173	-24.6	38.7	-25.3	0	0	0	112.4
92	P	41.5	Very low	31.9	Very low	132 Å²	132	129 Å²	129	86%	0.857	80%	0.803	S	S	*	*			trans	-97.8	170.5	-163.6	38.5	-37.2	0	0	0	115.8
93	G	29.3	Very low	32.5	Very low	67 Å²	67	124.8 Å²	124.8	69%	0.691	80%	0.799	S	S	*	*			trans	-121.4	143.1	156.7	0	0	0	0	0	111.3
94	Q	33.1	Very low	32.9	Very low	179 Å²	179	127.4 Å²	127.4	84%	0.836	81%	0.807	S	S	*	*			trans	6.6	134.6	140.1	-74.2	170.2	-48.9	0	0	117.1
95	D	29.6	Very low	33.6	Very low	145 Å²	145	126.5 Å²	126.5	78%	0.775	80%	0.802	S	S	*	*			cis	-161.1	-179.9	25.5	-88	-38	0	0	0	112.8
96	A	34.9	Very low	34.3	Very low	99 Å²	99	123.3 Å²	123.3	82%	0.818	80%	0.799	S	S	*	*			trans	99.9	127.1	151.1	0	0	0	0	0	121.5
97	D	33.8	Very low	35.2	Very low	160 Å²	160	126.2 Å²	126.2	86%	0.856	79%	0.792	S	S	*	*			trans	-76.2	175.3	169	-67.7	-70.9	0	0	0	113.3
98	E	33.9	Very low	36	Very low	130 Å²	130	120.8 Å²	120.8	61%	0.607	78%	0.78	S	S	*	*			cis	-153.5	157.5	-0.8	-138.9	-163.3	148.3	0	0	109.7
99	R	34.8	Very low	36.5	Very low	211 Å²	211	121 Å²	121	80%	0.796	77%	0.771	S	S	*	*			trans	60	146.6	155.1	-72.1	-178.9	-163.4	-161.2	7.2	120.5
100	S	34.3	Very low	37.1	Very low	122 Å²	122	119.8 Å²	119.8	85%	0.853	77%	0.769	S	S	*	*			cis	-162.7	140.9	-13.4	-179.6	0	0	0	0	109.4
101	G	31.6	Very low	38	Very low	74 Å²	74	125.1 Å²	125.1	76%	0.763	76%	0.764	S	S	*	*			trans	171.6	144.2	172.6	0	0	0	0	0	113.6
102	G	32.6	Very low	37.9	Very low	86 Å²	86	127.7 Å²	127.7	89%	0.887	76%	0.762	S	S	*	*			trans	77	158.5	-177.5	0	0	0	0	0	114.1
103	G	40.3	Very low	37.6	Very low	74 Å²	74	127.6 Å²	127.6	76%	0.763	75%	0.753	S	S	*	*			cis	125.9	107.8	1.2	0	0	0	0	0	111.6
104	D	51.8	Low	38.2	Very low	168 Å²	168	132.4 Å²	132.4	90%	0.898	76%	0.762	S	S	*	*			trans	43	99.6	170.3	-64.6	-14.5	0	0	0	119.7
105	L	42.3	Very low	38.1	Very low	129 Å²	129	131.1 Å²	131.1	68%	0.675	76%	0.761	S	S	*	*			trans	-147.8	-17.6	152.8	-164.2	57.6	0	0	0	114.2	E107 L109	L105-E107 PolarHBondContact O-N 3.29Å; L105-L109 HydrophobicContact CG-CD1 4.33Å
106	A	41.8	Very low	38.3	Very low	92 Å²	92	128.3 Å²	128.3	76%	0.76	76%	0.759	S	S	*	*	H	α-helix	trans	-67.3	-35.5	-169.6	0	0	0	0	0	115.2
107	E	44.2	Very low	38.5	Very low	137 Å²	137	130.4 Å²	130.4	64%	0.64	76%	0.756	S	S	*	*	H	α-helix	trans	-82	-20.3	-172.7	-137.8	-155.5	127.8	0	0	114.3	L105 R111	L105-E107 PolarHBondContact O-N 3.29Å; E107-R111 IonicContact OE1-CZ 2.82Å; E107-R111 IonicContact OE1-NH1 3.45Å; E107-R111 PolarHBondContact OE1-NH1 2.91Å; E107-R111 IonicContact OE1-NH2 2.95Å; E107-R111 PolarHBondContact OE1-NH2 2.86Å
108	S	43.5	Very low	39.1	Very low	97 Å²	97	128.2 Å²	128.2	68%	0.678	75%	0.751	S	S	*	*	H	α-helix	trans	-82.2	-23.9	-177.9	-63.5	0	0	0	0	113.7
109	L	38.2	Very low	38.9	Very low	121 Å²	121	125.2 Å²	125.2	63%	0.634	75%	0.748	S	S	*	*	H	α-helix	trans	-81.6	-21.4	-178.4	-81.8	163.2	0	0	0	113.6	L105 R111	L105-L109 HydrophobicContact CG-CD1 4.33Å; L109-R111 PolarHBondContact O-N 3.29Å
110	A	40.4	Very low	38.9	Very low	85 Å²	85	123.3 Å²	123.3	70%	0.702	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-3.8	-174.4	0	0	0	0	0	115.3
111	R	44.7	Very low	38.7	Very low	190 Å²	190	122.7 Å²	122.7	72%	0.717	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.8	7.6	-170.7	-68.5	-176.6	174.5	101.9	-6	115.4	E107 L109	E107-R111 IonicContact OE1-CZ 2.82Å; E107-R111 IonicContact OE1-NH1 3.45Å; E107-R111 PolarHBondContact OE1-NH1 2.91Å; E107-R111 IonicContact OE1-NH2 2.95Å; E107-R111 PolarHBondContact OE1-NH2 2.86Å; L109-R111 PolarHBondContact O-N 3.29Å
112	F	39.4	Very low	38.5	Very low	183 Å²	183	122.4 Å²	122.4	80%	0.803	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.4	-18.1	-170.5	-156.4	-105	0	0	0	117.6
113	I	36.2	Very low	38.3	Very low	130 Å²	130	126 Å²	126	67%	0.667	76%	0.755	S	S	*	*			trans	-133.9	74.3	-175	-46	-178.5	0	0	0	112.4
114	L	40.2	Very low	37.8	Very low	168 Å²	168	125.7 Å²	125.7	88%	0.88	75%	0.752	S	S	*	*			trans	-147.3	86.9	148.2	-74.9	-176.1	0	0	0	105.3
115	D	32.5	Very low	36.8	Very low	152 Å²	152	122.6 Å²	122.6	81%	0.813	75%	0.75	S	S	*	*				50.7	128.9	94.4	-91.6	6.1	0	0	0	114.7
116	A	32.3	Very low	36.4	Very low	87 Å²	87	121.1 Å²	121.1	72%	0.719	76%	0.757	S	S	*	*			cis	-161.5	167	-7.1	0	0	0	0	0	111.2
117	D	39.2	Very low	35.8	Very low	142 Å²	142	126 Å²	126	76%	0.759	76%	0.764	S	S	*	*			trans	-98.5	140.7	165.9	173.2	29.8	0	0	0	109.9	A119	D117-A119 PolarHBondContact OD1-N 3.32Å
118	P	47.5	Very low	35.3	Very low	115 Å²	115	130.6 Å²	130.6	75%	0.747	78%	0.775	S	S	*	*				-144.8	108.1	128.1	34	-16.7	0	0	0	116.4
119	A	30.1	Very low	35.5	Very low	67 Å²	67	132 Å²	132	55%	0.554	78%	0.782	S	S	*	*				70.3	117.9	115.9	0	0	0	0	0	123.2	D117	D117-A119 PolarHBondContact OD1-N 3.32Å
120	I	33.8	Very low	35	Very low	171 Å²	171	129.6 Å²	129.6	88%	0.877	79%	0.786	S	S	*	*				59.7	106	129.7	-50.9	169.2	0	0	0	120.2
121	A	30.5	Very low	34.5	Very low	108 Å²	108	131.6 Å²	131.6	89%	0.893	80%	0.795	S	S	*	*			trans	-162.3	174.3	140.9	0	0	0	0	0	110.1
122	G	27.1	Very low	34.2	Very low	69 Å²	69	126.9 Å²	126.9	71%	0.711	80%	0.797	S	S	*	*			trans	-166.1	-161	179	0	0	0	0	0	115.7
123	V	29.3	Very low	34.8	Very low	160 Å²	160	124.3 Å²	124.3	97%	0.97	80%	0.799	S	S	*	*			trans	85.9	122.9	179.6	-173.5	0	0	0	0	117
124	G	29.2	Very low	34.6	Very low	68 Å²	68	121.2 Å²	121.2	70%	0.701	80%	0.799	S	S	*	*				116.3	93.5	129.2	0	0	0	0	0	122.3
125	A	31.1	Very low	35.2	Very low	104 Å²	104	119.6 Å²	119.6	86%	0.86	80%	0.799	S	S	*	*			trans	66.2	139.4	133.6	0	0	0	0	0	124.8
126	A	32.8	Very low	35.3	Very low	98 Å²	98	117 Å²	117	81%	0.81	80%	0.798	S	S	*	*			trans	71.4	148.2	150.8	0	0	0	0	0	118.6
127	E	30	Very low	35.1	Very low	193 Å²	193	116 Å²	116	90%	0.902	80%	0.796	S	S	*	*			cis	-133.5	-173.9	5.7	-86.6	-155.4	108.7	0	0	113.9
128	R	32.8	Very low	35.8	Very low	234 Å²	234	115 Å²	115	88%	0.883	80%	0.798	S	S	*	*			trans	-128.2	-170.4	173.6	-112.9	-173.5	-177.9	173.4	1.9	108.3
129	P	48.2	Very low	35.1	Very low	126 Å²	126	115.4 Å²	115.4	82%	0.818	80%	0.798	S	S	*	*			cis	-118.5	-169.3	-1.1	42.3	-27	0	0	0	112.1
130	G	28.3	Very low	35.1	Very low	71 Å²	71	119.5 Å²	119.5	73%	0.732	81%	0.81	S	S	*	*			cis	-166.8	-167.6	-0.4	0	0	0	0	0	107.9
131	S	29.8	Very low	34.9	Very low	127 Å²	127	116.3 Å²	116.3	89%	0.888	80%	0.802	S	S	*	*			cis	-154.8	167.3	-2.9	55.7	0	0	0	0	109.1
132	A	37.7	Very low	34.9	Very low	91 Å²	91	115.6 Å²	115.6	75%	0.752	80%	0.797	S	S	*	*			trans	-146.1	168.4	177.9	0	0	0	0	0	110.2
133	P	51.9	Low	35.1	Very low	129 Å²	129	120 Å²	120	84%	0.838	80%	0.803	S	S	*	*				-146	170.1	88.6	38.3	-21.5	0	0	0	116.3
134	G	31.6	Very low	35.2	Very low	65 Å²	65	123.8 Å²	123.8	67%	0.67	80%	0.8	S	S	*	*			trans	-87.1	-134.4	166	0	0	0	0	0	112.2
135	P	54.5	Low	35.1	Very low	135 Å²	135	123.8 Å²	123.8	88%	0.877	80%	0.799	S	S	*	*			cis	-101.6	-158.6	12.5	40.3	-31.2	0	0	0	112.1
136	A	33.8	Very low	36	Very low	97 Å²	97	124.2 Å²	124.2	80%	0.802	79%	0.793	S	S	*	*			cis	-155.2	-170.5	11	0	0	0	0	0	113.8
137	G	28.5	Very low	35.8	Very low	66 Å²	66	126.7 Å²	126.7	68%	0.68	79%	0.793	S	S	*	*			trans	-164.9	-150.5	169.2	0	0	0	0	0	108.8
138	P	52.6	Low	36	Very low	121 Å²	121	125.6 Å²	125.6	79%	0.786	79%	0.788	S	S	*	*			cis	-144.7	-172.6	-5.5	43.6	-24.9	0	0	0	115.4
139	V	32.5	Very low	36.6	Very low	124 Å²	124	119.7 Å²	119.7	75%	0.752	78%	0.78	S	S	*	*			trans	58.7	127.3	148.4	160.8	0	0	0	0	119.2
140	L	31.1	Very low	35.9	Very low	153 Å²	153	124.5 Å²	124.5	80%	0.801	78%	0.782	S	S	*	*			cis	99	133.8	38.6	-85.8	175	0	0	0	116.2
141	S	30.5	Very low	35.9	Very low	104 Å²	104	126.5 Å²	126.5	73%	0.727	78%	0.78	S	S	*	*			trans	86.7	95	149.3	-59.7	0	0	0	0	123.9
142	A	30.7	Very low	35.8	Very low	93 Å²	93	127.6 Å²	127.6	77%	0.769	78%	0.775	S	S	*	*				82.9	155.8	111.1	0	0	0	0	0	124.7
143	L	30.4	Very low	35.4	Very low	161 Å²	161	132 Å²	132	84%	0.843	78%	0.779	S	S	*	*			trans	93	135.8	156.2	-67.6	169.9	0	0	0	122.9
144	R	30.3	Very low	34.4	Very low	240 Å²	240	133.6 Å²	133.6	91%	0.906	78%	0.776	S	S	*	*			trans	68.9	131.8	154.1	-76.7	-176.1	175	-175.9	-1.4	122.1
145	G	27.3	Very low	34.8	Very low	67 Å²	67	136.2 Å²	136.2	69%	0.691	78%	0.781	S	S	*	*			trans	-103	-154	142.8	0	0	0	0	0	110.4
146	P	50.1	Low	33.7	Very low	113 Å²	113	133.3 Å²	133.3	73%	0.734	77%	0.769	S	S	*	*			cis	-133.2	-168.4	5.4	42.6	-25.2	0	0	0	115.3
147	D	29.8	Very low	33.5	Very low	151 Å²	151	134.1 Å²	134.1	81%	0.807	77%	0.768	S	S	*	*			trans	88.6	159.8	151.1	-82.3	-53	0	0	0	124.2
148	Q	34.3	Very low	33.6	Very low	169 Å²	169	138.6 Å²	138.6	79%	0.79	78%	0.775	S	S	*	*			trans	-78.3	176.5	-166.8	-92.3	-172.7	47.3	0	0	115.1
149	P	45.3	Very low	33.3	Very low	110 Å²	110	138.3 Å²	138.3	71%	0.714	77%	0.773	S	S	*	*			cis	-150.6	158.8	31.2	41.6	-19.6	0	0	0	121.9
150	R	32.2	Very low	34.2	Very low	227 Å²	227	137.1 Å²	137.1	86%	0.857	77%	0.768	S	S	*	*			trans	47.2	133.6	130.9	-142.1	-179	-155.2	177.2	6.5	120.4
151	V	28.3	Very low	34.1	Very low	114 Å²	114	138.8 Å²	138.8	69%	0.691	77%	0.768	S	S	*	*				173.3	142.7	95.2	152.4	0	0	0	0	113.5
152	L	29.3	Very low	34.3	Very low	149 Å²	149	142 Å²	142	78%	0.78	77%	0.772	S	S	*	*			trans	62.3	159.6	165.3	-75	163.9	0	0	0	118.6
153	Q	28.8	Very low	34.3	Very low	183 Å²	183	146.3 Å²	146.3	86%	0.855	78%	0.776	S	S	*	*			cis	-143.4	178.9	21	-151.9	161.6	73	0	0	114.1
154	Q	29.5	Very low	34.4	Very low	164 Å²	164	146.5 Å²	146.5	77%	0.766	78%	0.777	S	S	*	*			trans	-123.2	160.3	-172.2	-137.8	-177.1	44.6	0	0	111.5
155	P	41.3	Very low	35.6	Very low	119 Å²	119	140.5 Å²	140.5	77%	0.773	77%	0.769	S	S	*	*				-133	158.5	81.8	12.9	11.4	0	0	0	113.2
156	A	31	Very low	36.4	Very low	75 Å²	75	143.7 Å²	143.7	62%	0.62	78%	0.778	S	S	*	*				67.2	130.3	60.6	0	0	0	0	0	113.3
157	S	29.6	Very low	35.5	Very low	113 Å²	113	141.4 Å²	141.4	79%	0.79	78%	0.775	S	S	*	*			cis	-149.7	-175.7	24.8	-62.9	0	0	0	0	114.2
158	I	31	Very low	36.7	Very low	161 Å²	161	140.4 Å²	140.4	83%	0.826	78%	0.777	S	S	*	*			trans	-158.3	-174.9	-167.6	35.3	164.1	0	0	0	110.1
159	P	45.4	Very low	37.5	Very low	114 Å²	114	137.5 Å²	137.5	74%	0.74	77%	0.772	S	S	*	*			cis	-123.5	-92.1	-4.9	19.2	6.8	0	0	0	121
160	P	52	Low	37	Very low	99 Å²	99	136.6 Å²	136.6	64%	0.643	77%	0.774	S	S	*	*			trans	-139.9	172	-131.6	42.4	-22.5	0	0	0	120.7
161	K	29.7	Very low	37.1	Very low	188 Å²	188	131.8 Å²	131.8	82%	0.817	78%	0.775	S	S	*	*				161.6	130.2	124	-89.3	172.9	-177.7	178.8	0	118.1
162	H	33.6	Very low	37.1	Very low	172 Å²	172	130 Å²	130	80%	0.796	78%	0.78	S	S	*	*			trans	37.6	148.5	137.1	-73.8	-65.9	0	0	0	126.9
163	Q	31	Very low	37.3	Very low	184 Å²	184	131 Å²	131	86%	0.86	79%	0.785	S	S	*	*			trans	104	153.2	154.1	-74.1	165.6	47.6	0	0	119.7
164	L	33.1	Very low	38.1	Very low	165 Å²	165	128.2 Å²	128.2	86%	0.864	78%	0.783	S	S	*	*			trans	-113.1	-168.1	-171.1	-62.2	83.5	0	0	0	110.8
165	P	55.3	Low	38.1	Very low	113 Å²	113	124.3 Å²	124.3	73%	0.734	78%	0.779	S	S	*	*				-113.3	-179.7	-73.6	39.5	-25.5	0	0	0	111.3
166	P	44.6	Very low	37.7	Very low	135 Å²	135	124.2 Å²	124.2	88%	0.877	78%	0.78	S	S	*	*				-161.3	-158.6	94.9	43.3	-21.5	0	0	0	115.4
167	G	29.8	Very low	37.7	Very low	65 Å²	65	126.4 Å²	126.4	67%	0.67	79%	0.791	S	S	*	*			trans	-156.8	-166.9	161.5	0	0	0	0	0	109.8
168	P	56.6	Low	38	Very low	130 Å²	130	127.5 Å²	127.5	84%	0.844	79%	0.793	S	S	*	*			cis	-100.7	-97.8	-11.8	30.5	-11.7	0	0	0	111.6
169	P	50.6	Low	38.1	Very low	108 Å²	108	128 Å²	128	70%	0.701	80%	0.796	S	S	*	*			cis	-133.6	174.2	-12.9	43.1	-25.7	0	0	0	117.8
170	A	33.6	Very low	37.5	Very low	91 Å²	91	127.4 Å²	127.4	75%	0.752	80%	0.795	S	S	*	*			trans	65.5	162.3	147.2	0	0	0	0	0	121.3
171	S	35.5	Very low	36.6	Very low	126 Å²	126	133.7 Å²	133.7	88%	0.881	81%	0.807	S	S	*	*			cis	-174.1	157.9	-27.1	-87.2	0	0	0	0	110.5
172	G	27.5	Very low	36.6	Very low	76 Å²	76	133.9 Å²	133.9	78%	0.784	81%	0.811	S	S	*	*			trans	171.4	130.9	164.9	0	0	0	0	0	117.5
173	L	33.6	Very low	36.7	Very low	171 Å²	171	134.4 Å²	134.4	90%	0.895	81%	0.814	S	S	*	*			trans	-132.1	151.1	172	-78.1	171.3	0	0	0	109.3
174	P	45.1	Very low	36.7	Very low	124 Å²	124	133.5 Å²	133.5	81%	0.805	81%	0.81	S	S	*	*				-150.4	-164	96.9	39.4	-21.3	0	0	0	113.5
175	A	31.1	Very low	36.9	Very low	82 Å²	82	134.4 Å²	134.4	68%	0.678	81%	0.81	S	S	*	*				-173.2	168.4	-62.1	0	0	0	0	0	110.1
176	S	31.8	Very low	35.7	Very low	116 Å²	116	136.9 Å²	136.9	81%	0.811	81%	0.811	S	S	*	*			trans	70	150.4	170	79.1	0	0	0	0	117.3
177	S	31.3	Very low	35.1	Very low	121 Å²	121	137.3 Å²	137.3	85%	0.846	81%	0.805	S	S	*	*			cis	-159.5	162.4	-17.8	-104.2	0	0	0	0	111.7
178	V	35.5	Very low	35.1	Very low	136 Å²	136	142.1 Å²	142.1	82%	0.824	82%	0.815	S	S	*	*			trans	-104.5	163.5	-178.6	-75.4	0	0	0	0	113.5
179	L	34	Very low	33.8	Very low	172 Å²	172	147.3 Å²	147.3	90%	0.901	82%	0.817	S	S	*	*			trans	163.7	151.7	149.3	-87.3	161.2	0	0	0	107.9
180	S	31.8	Very low	32.7	Very low	101 Å²	101	153.7 Å²	153.7	71%	0.706	83%	0.828	S	S	*	*			cis	-158.3	170.3	-13.6	59.4	0	0	0	0	110.9
181	Y	33.1	Very low	32.4	Very low	232 Å²	232	153.1 Å²	153.1	91%	0.91	83%	0.831	S	S	*	*			trans	-71.8	172.5	168.6	-95.7	-120	0	0	0	112.9
182	Q	30.8	Very low	32	Very low	192 Å²	192	152.3 Å²	152.3	90%	0.897	83%	0.831	S	S	*	*			trans	94	72	159.9	-158.4	179.8	51	0	0	119.1
183	Q	34.6	Very low	32	Very low	182 Å²	182	153.1 Å²	153.1	85%	0.85	83%	0.831	S	S	*	*			trans	-146.9	90.8	140.7	-161.8	167.7	25.6	0	0	108.1
184	Q	31.3	Very low	32.5	Very low	165 Å²	165	150.3 Å²	150.3	77%	0.771	82%	0.823	S	S	*	*				102.9	122.3	71.9	178.9	172	-11	0	0	109.9
185	Q	38.2	Very low	31.7	Very low	185 Å²	185	153.5 Å²	153.5	86%	0.864	83%	0.829	S	S	*	*			trans	-68.7	150.5	-177.9	-61.6	174.1	-15.4	0	0	112
186	H	30.3	Very low	31.6	Very low	165 Å²	165	153.2 Å²	153.2	76%	0.764	83%	0.834	S	S	*	*			trans	-146.3	122.8	157	-137.4	-115	0	0	0	113.7
187	L	30.1	Very low	31.4	Very low	144 Å²	144	156.9 Å²	156.9	75%	0.754	84%	0.838	S	S	*	*			trans	51.6	119.5	160.3	-65	174.8	0	0	0	120.8
188	L	30.3	Very low	31.3	Very low	166 Å²	166	160 Å²	160	87%	0.869	84%	0.842	S	S	*	*			trans	-62	136.1	144.7	-55.2	86.6	0	0	0	109.7
189	R	29	Very low	30.9	Very low	238 Å²	238	159.4 Å²	159.4	90%	0.898	83%	0.834	S	S	*	*				-173	144.9	129.1	-111.1	176.6	-174	-85.5	-0.2	114.2
190	R	28.4	Very low	30.7	Very low	243 Å²	243	156.5 Å²	156.5	92%	0.917	83%	0.828	S	S	*	*			trans	68.2	100	151.1	-154.5	-179.7	-155.1	174.9	4.2	116.3
191	G	26.8	Very low	30.5	Very low	79 Å²	79	159.2 Å²	159.2	81%	0.814	83%	0.829	S	S	*	*			trans	-84.7	169.5	167.1	0	0	0	0	0	113.5
192	A	27.8	Very low	30.4	Very low	108 Å²	108	153 Å²	153	89%	0.893	82%	0.819	S	S	*	*			trans	-150.5	153.1	162.9	0	0	0	0	0	108.7
193	A	26.8	Very low	30.6	Very low	94 Å²	94	151 Å²	151	78%	0.777	81%	0.813	S	S	*	*			trans	-123.7	175.6	168.9	0	0	0	0	0	107.2
194	P	44.9	Very low	30.8	Very low	112 Å²	112	153.6 Å²	153.6	73%	0.727	82%	0.816	S	S	*	*			cis	-134.9	-166.8	5	39.3	-19.2	0	0	0	114.3
195	M	27	Very low	30.6	Very low	191 Å²	191	152.1 Å²	152.1	94%	0.941	81%	0.813	S	S	*	*			trans	69.8	150.7	168.7	-59.2	-173	127.1	0	0	117
196	G	29.9	Very low	30.1	Very low	75 Å²	75	151.4 Å²	151.4	77%	0.773	82%	0.815	S	S	*	*			cis	-139	140.8	-4.6	0	0	0	0	0	110.5
197	Q	28.1	Very low	30	Very low	194 Å²	194	148.6 Å²	148.6	91%	0.907	81%	0.814	S	S	*	*			trans	-96.2	115.6	-171	-172.5	169.6	-9.9	0	0	110.7
198	M	28.8	Very low	30.2	Very low	187 Å²	187	150.9 Å²	150.9	92%	0.921	82%	0.823	S	S	*	*			trans	-68.3	143.3	169.9	-123.3	102.1	80	0	0	109.8
199	N	26.8	Very low	30.2	Very low	123 Å²	123	146.4 Å²	146.4	66%	0.658	82%	0.817	S	S	*	*			trans	-96.1	128.2	-169.3	-171	9.6	0	0	0	111.7	H201	N199-H201 PolarHBondContact ND2-CD2 3.42Å; N199-H201 PolarHBondContact ND2-NE2 3.07Å; N199-H201 PolarHBondContact OD1-CD2 2.84Å
200	S	28.8	Very low	30.2	Very low	111 Å²	111	145 Å²	145	78%	0.776	82%	0.818	S	S	*	*			trans	-129	93.8	173.5	59.9	0	0	0	0	109.2	S202	S200-S202 PolarHBondContact O-N 3.15Å
201	H	28.3	Very low	30.2	Very low	158 Å²	158	137 Å²	137	73%	0.731	81%	0.81	S	S	*	*			trans	-65.5	132.1	178.3	-81.3	-93.7	0	0	0	111.1	N199	N199-H201 PolarHBondContact ND2-CD2 3.42Å; N199-H201 PolarHBondContact ND2-NE2 3.07Å; N199-H201 PolarHBondContact OD1-CD2 2.84Å
202	S	31	Very low	30.5	Very low	100 Å²	100	138.8 Å²	138.8	70%	0.699	81%	0.808	S	S	*	*			trans	-89.7	148	167.6	-167.5	0	0	0	0	109.6	S200 W204	S200-S202 PolarHBondContact O-N 3.15Å; S202-W204 VanDerWaalsContact C-N 3.28Å; S202-W204 PolarHBondContact O-N 2.98Å
203	I	35.6	Very low	30.7	Very low	151 Å²	151	140.6 Å²	140.6	77%	0.774	81%	0.808	S	S	*	*	S	Bend	trans	-88.5	12.2	-163.8	-73.5	170.8	0	0	0	113.4
204	W	38.3	Very low	30.8	Very low	237 Å²	237	141.3 Å²	141.3	90%	0.898	81%	0.807	S	S	*	*			trans	-122	67.4	-177.3	-57.1	112.2	0	0	0	112.6	S202	S202-W204 VanDerWaalsContact C-N 3.28Å; S202-W204 PolarHBondContact O-N 2.98Å
205	D	26.8	Very low	30.1	Very low	134 Å²	134	142.4 Å²	142.4	72%	0.717	81%	0.811	S	S	*	*			trans	-131.4	105.4	159.6	-172.5	9.9	0	0	0	109.6
206	N	27.8	Very low	30.1	Very low	169 Å²	169	139.5 Å²	139.5	90%	0.904	80%	0.804	S	S	*	*			trans	-157.9	99.4	154.5	-134	-2	0	0	0	108.3
207	S	29.3	Very low	30.3	Very low	106 Å²	106	141.9 Å²	141.9	74%	0.741	81%	0.806	S	S	*	*			trans	-95.6	125.9	-169.6	-65.9	0	0	0	0	113.3
208	M	33.1	Very low	30.3	Very low	193 Å²	193	136 Å²	136	95%	0.951	80%	0.798	S	S	*	*			trans	-127.6	136.9	152.1	-69.2	-175	174.8	0	0	107.8
209	G	30.1	Very low	30.4	Very low	72 Å²	72	134.8 Å²	134.8	74%	0.742	79%	0.794	S	S	*	*			cis	178.2	41.1	-1.2	0	0	0	0	0	113.3	G211	G209-G211 PolarHBondContact O-N 3.43Å; G209-G211 VanDerWaalsContact O-N 3.12Å
210	F	29.8	Very low	30.4	Very low	209 Å²	209	135.3 Å²	135.3	92%	0.917	80%	0.801	S	S	*	*			trans	-71.6	102.8	-176.2	-76	-80	0	0	0	112.6	P212	F210-P212 WeakPolarHBondContact O-CD 3.27Å
211	G	27.8	Very low	30.5	Very low	73 Å²	73	135.8 Å²	135.8	75%	0.753	80%	0.8	S	S	*	*			trans	-93.5	115.9	175.6	0	0	0	0	0	113.5	G209	G209-G211 PolarHBondContact O-N 3.43Å; G209-G211 VanDerWaalsContact O-N 3.12Å
212	P	33.9	Very low	30.4	Very low	118 Å²	118	136.4 Å²	136.4	77%	0.766	80%	0.803	S	S	*	*			trans	-81.5	145.2	169.9	32.6	-33.5	0	0	0	111.9	F210 S214	F210-P212 WeakPolarHBondContact O-CD 3.27Å; P212-S214 PolarHBondContact O-N 2.91Å
213	V	31.8	Very low	30.2	Very low	146 Å²	146	138.3 Å²	138.3	89%	0.885	80%	0.802	S	S	*	*			trans	-60.9	130.7	173.9	176.7	0	0	0	0	110.5
214	S	28.1	Very low	30.1	Very low	109 Å²	109	140.5 Å²	140.5	76%	0.762	81%	0.809	S	S	*	*			trans	-128.6	142.8	170.9	55.3	0	0	0	0	111.2	P212	P212-S214 PolarHBondContact O-N 2.91Å
215	V	30.4	Very low	29.6	Very low	134 Å²	134	135.4 Å²	135.4	81%	0.812	80%	0.8	S	S	*	*			trans	-105.1	133.7	-175.8	176.4	0	0	0	0	109.5
216	T	27.6	Very low	29.7	Very low	130 Å²	130	134.2 Å²	134.2	80%	0.798	80%	0.802	S	S	*	*			trans	-113.8	136.6	176.3	47	0	0	0	0	111.7
217	P	34.7	Very low	30.7	Very low	125 Å²	125	131.7 Å²	131.7	81%	0.812	80%	0.795	S	S	*	*			trans	-112.6	137.4	-175.9	37.8	-31	0	0	0	116
218	G	27.3	Very low	30.7	Very low	72 Å²	72	135.2 Å²	135.2	74%	0.742	80%	0.804	S	S	*	*			trans	83.3	162.4	156	0	0	0	0	0	118.1
219	L	31.1	Very low	30.4	Very low	161 Å²	161	134 Å²	134	84%	0.843	80%	0.799	S	S	*	*			cis	-166.7	148.9	-9.1	-156.4	76.2	0	0	0	111.4
220	V	26.9	Very low	30.4	Very low	133 Å²	133	135.4 Å²	135.4	81%	0.806	80%	0.797	S	S	*	*			trans	55.9	153.4	169.4	-98.9	0	0	0	0	118.2
221	T	30.6	Very low	30.4	Very low	122 Å²	122	133.2 Å²	133.2	75%	0.748	79%	0.793	S	S	*	*			cis	-124.1	178.1	3.3	60.4	0	0	0	0	110.3
222	H	25.3	Very low	30.7	Very low	170 Å²	170	136.5 Å²	136.5	79%	0.787	79%	0.792	S	S	*	*			cis	-143.9	176	6.5	-163.9	-96.9	0	0	0	110.9
223	M	28.4	Very low	30.5	Very low	140 Å²	140	141 Å²	141	69%	0.69	80%	0.799	S	S	*	*			trans	-81.7	150.8	-179	-60.9	159.6	54.5	0	0	114.2
224	E	33	Very low	30.5	Very low	197 Å²	197	142.3 Å²	142.3	92%	0.921	80%	0.796	S	S	*	*			trans	-156.6	176.7	131.7	-124.1	171.9	-137.5	0	0	111
225	D	26.6	Very low	30.6	Very low	130 Å²	130	144.5 Å²	144.5	70%	0.695	80%	0.804	S	S	*	*			trans	-117.9	147	-135.9	-108.4	-64.1	0	0	0	119.2
226	S	30.5	Very low	30.5	Very low	109 Å²	109	141.6 Å²	141.6	76%	0.762	80%	0.801	S	S	*	*			trans	75.3	161.8	143.3	-75.2	0	0	0	0	121.6
227	P	48.4	Very low	30.6	Very low	117 Å²	117	143.6 Å²	143.6	76%	0.76	81%	0.806	S	S	*	*			trans	-119.6	178.8	-154.5	43.4	-33.3	0	0	0	115.3
228	L	28.9	Very low	30.8	Very low	179 Å²	179	142.9 Å²	142.9	94%	0.937	80%	0.801	S	S	*	*			trans	-148.3	161.1	150.9	-113.8	176.7	0	0	0	112.6
229	M	26.1	Very low	30.7	Very low	169 Å²	169	148.8 Å²	148.8	83%	0.833	81%	0.807	S	S	*	*			trans	-141.1	135.8	-169.9	174	155	57	0	0	112.1
230	S	31.5	Very low	30.8	Very low	100 Å²	100	151 Å²	151	70%	0.699	80%	0.804	S	S	*	*			trans	66.9	139.3	167.7	-164.5	0	0	0	0	117.6
231	I	29.2	Very low	31.1	Very low	163 Å²	163	150 Å²	150	84%	0.836	80%	0.8	S	S	*	*				-176.9	150.3	118.4	-94.7	160.1	0	0	0	111.3
232	I	34.9	Very low	31.4	Very low	143 Å²	143	150 Å²	150	73%	0.733	80%	0.802	S	S	*	*			trans	-88.9	147.9	-176.4	-63.1	155.1	0	0	0	111.1
233	K	28.6	Very low	31.6	Very low	211 Å²	211	149.7 Å²	149.7	92%	0.917	80%	0.801	S	S	*	*			trans	-153.7	141.7	142.6	-126.3	170.4	-174.2	176.1	0	115
234	E	32.7	Very low	31.5	Very low	174 Å²	174	146.9 Å²	146.9	81%	0.813	81%	0.808	S	S	*	*			trans	-93.2	143.8	176.3	-51.5	170.2	114.7	0	0	111.5
235	V	29.1	Very low	31.2	Very low	155 Å²	155	147.9 Å²	147.9	94%	0.939	80%	0.803	S	S	*	*			trans	-179.1	143.3	142.3	-93.4	0	0	0	0	107.5
236	G	28.1	Very low	31.3	Very low	73 Å²	73	147.5 Å²	147.5	75%	0.753	81%	0.811	S	S	*	*			cis	-179.5	149.3	-9.3	0	0	0	0	0	110.4
237	L	30.1	Very low	31.2	Very low	173 Å²	173	147.8 Å²	147.8	91%	0.906	80%	0.804	S	S	*	*			trans	-70.6	153.2	173	-109.1	85.1	0	0	0	111.1
238	P	38.9	Very low	30.4	Very low	109 Å²	109	150.9 Å²	150.9	71%	0.708	81%	0.808	S	S	*	*				-147.8	-159	66.2	43.9	-23.3	0	0	0	112.8
239	K	26.6	Very low	30.7	Very low	196 Å²	196	145.8 Å²	145.8	85%	0.852	80%	0.799	S	S	*	*			cis	-156.7	174.3	0.7	-144.7	156.2	-169.3	174.3	0	110.3
240	R	32.6	Very low	31	Very low	207 Å²	207	145.6 Å²	145.6	78%	0.781	80%	0.795	S	S	*	*			trans	-148.4	138.9	165.6	-173	-174.9	-174.1	-170.2	3.8	110.5
241	P	32.8	Very low	31.2	Very low	113 Å²	113	147.6 Å²	147.6	73%	0.734	80%	0.798	S	S	*	*			trans	-146.9	179	141.5	39.4	-24.5	0	0	0	112.9
242	P	37.3	Very low	31.4	Very low	121 Å²	121	146.7 Å²	146.7	79%	0.786	80%	0.795	S	S	*	*			cis	-121.7	178.9	-41.1	35.5	-21.1	0	0	0	111.6
243	Q	30.4	Very low	31.9	Very low	165 Å²	165	145.2 Å²	145.2	77%	0.771	80%	0.797	S	S	*	*			trans	-101.7	143	166.4	-76.5	172.4	-101.7	0	0	110.8
244	G	25.9	Very low	32.6	Very low	81 Å²	81	144 Å²	144	84%	0.835	79%	0.794	S	S	*	*			trans	-75.1	153	161.3	0	0	0	0	0	111.2
245	R	27.1	Very low	32.8	Very low	217 Å²	217	147 Å²	147	82%	0.819	80%	0.798	S	S	*	*			trans	-116.9	129.7	-174.6	179.1	-175.1	-179.9	-167.8	-1.2	110.4	D247	R245-D247 IonicContact NH2-OD2 3.3Å; R245-D247 PolarHBondContact NH2-OD2 3.05Å
246	S	26.8	Very low	33.4	Very low	122 Å²	122	143.6 Å²	143.6	85%	0.853	79%	0.787	S	S	*	*			trans	-140.7	151.6	151.5	-161.4	0	0	0	0	108.7
247	D	29.5	Very low	33.9	Very low	116 Å²	116	145.6 Å²	145.6	62%	0.62	79%	0.786	S	S	*	*			trans	-151.7	87.8	-157.5	-171.8	7.3	0	0	0	108.8	R245	R245-D247 IonicContact NH2-OD2 3.3Å; R245-D247 PolarHBondContact NH2-OD2 3.05Å
248	E	31.4	Very low	34.4	Very low	182 Å²	182	142.6 Å²	142.6	85%	0.85	78%	0.777	S	S	*	*			trans	-135.2	122.9	168.7	-72.5	-163.2	123.4	0	0	109.1
249	G	35.7	Very low	34.4	Very low	71 Å²	71	143.5 Å²	143.5	73%	0.732	78%	0.783	S	S	*	*			trans	-96.1	125	-175.4	0	0	0	0	0	112.6
250	H	31.6	Very low	34.8	Very low	165 Å²	165	145.6 Å²	145.6	76%	0.764	79%	0.786	S	S	*	*			trans	-124.4	113.2	162.4	-81.3	-67.3	0	0	0	110.4	L252	H250-L252 PolarHBondContact O-N 3.05Å
251	D	35.5	Very low	34.7	Very low	142 Å²	142	141 Å²	141	76%	0.759	79%	0.786	S	S	*	*			trans	-71.1	120.2	168.8	-171.1	-6.4	0	0	0	108.9	S253	D251-S253 PolarHBondContact OD1-N 3.36Å
252	L	33.5	Very low	34.8	Very low	145 Å²	145	141 Å²	141	76%	0.759	79%	0.788	S	S	*	*			trans	-133.3	63.7	178.3	-72.6	178.3	0	0	0	109.6	H250 E254	H250-L252 PolarHBondContact O-N 3.05Å; L252-E254 PolarHBondContact O-N 3.11Å
253	S	45.3	Very low	34.6	Very low	112 Å²	112	140.2 Å²	140.2	78%	0.783	79%	0.786	S	S	*	*			trans	-65.7	28.8	169.8	52.9	0	0	0	0	114.7	D251	D251-S253 PolarHBondContact OD1-N 3.36Å
254	E	44.8	Very low	35.1	Very low	185 Å²	185	138 Å²	138	86%	0.864	79%	0.785	S	S	*	*			trans	-145.5	87.8	177.8	-151.9	170.9	-128.3	0	0	112.2	L252	L252-E254 PolarHBondContact O-N 3.11Å
255	R	36.7	Very low	35.6	Very low	236 Å²	236	140.7 Å²	140.7	89%	0.891	79%	0.785	S	S	*	*			trans	-142.3	103.7	163.8	-157.1	174	-169.6	108.7	-2.4	110
256	A	41.9	Very low	36.1	Very low	85 Å²	85	138.5 Å²	138.5	70%	0.702	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-58.5	143.6	173.5	0	0	0	0	0	110.4
257	P	38.6	Very low	36.8	Very low	114 Å²	114	136 Å²	136	74%	0.74	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-61.5	146.1	170.5	28.1	-34.4	0	0	0	109.5
258	P	39.6	Very low	37.1	Very low	110 Å²	110	135.5 Å²	135.5	71%	0.714	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-57.8	147.5	174.3	25.9	-34.3	0	0	0	110.1	R260	P258-R260 PolarHBondContact O-N 3.42Å
259	P	39.1	Very low	37.4	Very low	129 Å²	129	132.3 Å²	132.3	84%	0.838	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-57.2	125.2	177.8	24.7	-33.6	0	0	0	109.2	S261	P259-S261 PolarHBondContact O-N 3.17Å
260	R	35.6	Very low	37.6	Very low	240 Å²	240	134.8 Å²	134.8	91%	0.906	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-60.4	125.5	179.3	-69.8	-176	175.1	-160.9	-2	109	P258 S262	P258-R260 PolarHBondContact O-N 3.42Å; R260-S262 PolarHBondContact O-N 2.86Å
261	S	30.4	Very low	37.8	Very low	111 Å²	111	133.3 Å²	133.3	78%	0.776	79%	0.788	S	S	*	*			trans	-56.3	112.6	168.1	50.6	0	0	0	0	109.3	P259 S263	P259-S261 PolarHBondContact O-N 3.17Å; S261-S263 PolarHBondContact O-N 2.98Å; S261-S263 VanDerWaalsContact O-N 3.14Å
262	S	33.3	Very low	37.9	Very low	112 Å²	112	137.8 Å²	137.8	78%	0.783	79%	0.794	S	S	*	*			trans	-72	102.5	172.1	52.7	0	0	0	0	109	R260	R260-S262 PolarHBondContact O-N 2.86Å
263	S	34.2	Very low	38	Very low	105 Å²	105	135 Å²	135	73%	0.734	79%	0.791	S	S	*	*			trans	-53.8	134.7	170.1	-52.6	0	0	0	0	109.9	S261	S261-S263 PolarHBondContact O-N 2.98Å; S261-S263 VanDerWaalsContact O-N 3.14Å
264	P	40.5	Very low	37.9	Very low	117 Å²	117	135.1 Å²	135.1	76%	0.76	79%	0.788	S	S	*	*			trans	-57.8	148.3	174.4	-25.1	34.9	0	0	0	112.1	I266	P264-I266 PolarHBondContact O-N 1.73Å
265	V	36.9	Very low	37.5	Very low	139 Å²	139	132.3 Å²	132.3	84%	0.842	79%	0.785	S	S	*	*			trans	-72.1	114.1	170	176.1	0	0	0	0	108.4
266	I	37.8	Very low	37.5	Very low	170 Å²	170	128.6 Å²	128.6	87%	0.872	78%	0.781	S	S	*	*	S	Bend	trans	-66.4	143	172.9	-63.1	168.2	0	0	0	109	P264	P264-I266 PolarHBondContact O-N 1.73Å
267	G	40.3	Very low	36.9	Very low	69 Å²	69	127.7 Å²	127.7	71%	0.711	78%	0.78	S	S	*	*			trans	103.7	47.1	170.1	0	0	0	0	0	116.1
268	S	35.6	Very low	36.8	Very low	107 Å²	107	128.3 Å²	128.3	75%	0.748	78%	0.782	S	S	*	*			trans	-144	114.7	164.5	-73.7	0	0	0	0	110.8
269	P	38.4	Very low	36.6	Very low	114 Å²	114	128.3 Å²	128.3	74%	0.74	78%	0.782	S	S	*	*			trans	-72	142.5	178.6	29.8	-34.1	0	0	0	110.8	V271	P269-V271 PolarHBondContact O-N 2.81Å
270	P	40.1	Very low	36.2	Very low	123 Å²	123	128 Å²	128	80%	0.799	78%	0.781	S	S	*	*			trans	-68.7	114.9	176.8	27.6	-33.3	0	0	0	110.4	R272	P270-R272 PolarHBondContact O-N 2.87Å
271	V	35	Very low	36	Very low	135 Å²	135	126.3 Å²	126.3	82%	0.818	78%	0.779	S	S	*	*			trans	-68.5	96.9	176.2	179.7	0	0	0	0	109.4	P269 A273	P269-V271 PolarHBondContact O-N 2.81Å; V271-A273 VanDerWaalsContact C-N 3.32Å; V271-A273 PolarHBondContact O-N 2.95Å
272	R	37.9	Very low	36.1	Very low	235 Å²	235	129.7 Å²	129.7	89%	0.887	78%	0.783	S	S	*	*			trans	-68.1	89.6	166.7	-87	-172.2	168	179.6	-2.3	109.6	P270 V274	P270-R272 PolarHBondContact O-N 2.87Å; R272-V274 PolarHBondContact O-N 2.96Å
273	A	36.1	Very low	35.9	Very low	86 Å²	86	132.1 Å²	132.1	71%	0.711	79%	0.786	S	S	*	*			trans	-65.9	120.8	169.3	0	0	0	0	0	109.9	V271	V271-A273 VanDerWaalsContact C-N 3.32Å; V271-A273 PolarHBondContact O-N 2.95Å
274	V	43.3	Very low	35.6	Very low	116 Å²	116	135.3 Å²	135.3	70%	0.703	79%	0.794	S	S	*	*			trans	-106.4	111.8	175	-178.6	0	0	0	0	109.2	R272 I276	R272-V274 PolarHBondContact O-N 2.96Å; V274-I276 HydrophobicContact CG1-CG1 4.18Å; V274-I276 PolarHBondContact O-N 3.47Å
275	P	35.4	Very low	35	Very low	125 Å²	125	135.2 Å²	135.2	81%	0.812	80%	0.796	S	S	*	*			trans	-82.3	89.6	173.9	-8.8	27.2	0	0	0	110.9
276	I	36.6	Very low	34.6	Very low	158 Å²	158	137 Å²	137	81%	0.81	80%	0.8	S	S	*	*			trans	-80.2	115.5	158.7	-63.7	179.4	0	0	0	107.1	V274	V274-I276 HydrophobicContact CG1-CG1 4.18Å; V274-I276 PolarHBondContact O-N 3.47Å
277	G	30.1	Very low	34.2	Very low	66 Å²	66	134.3 Å²	134.3	68%	0.68	79%	0.787	S	S	*	*			trans	-159.3	34.9	-168.5	0	0	0	0	0	115.1
278	T	37.5	Very low	33.7	Very low	127 Å²	127	137.8 Å²	137.8	78%	0.779	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-66	123.3	171.2	49.7	0	0	0	0	110.4
279	P	34.2	Very low	33.4	Very low	111 Å²	111	141.3 Å²	141.3	72%	0.721	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-70.9	153.8	-178.7	28.7	-34.9	0	0	0	112.3	K281	P279-K281 PolarHBondContact O-N 2.86Å
280	P	31.2	Very low	33.2	Very low	123 Å²	123	142.4 Å²	142.4	80%	0.799	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-68.2	130	-177.3	-17.9	31.5	0	0	0	112.5	H282	P280-H282 PolarHBondContact O-N 2.97Å
281	K	30.5	Very low	32.7	Very low	203 Å²	203	145.7 Å²	145.7	88%	0.883	79%	0.792	S	S	*	*			trans	-77.7	100.5	169.1	-71	-177.5	179.1	178	0	110.1	P279	P279-K281 PolarHBondContact O-N 2.86Å
282	H	32.9	Very low	32.2	Very low	182 Å²	182	147.1 Å²	147.1	84%	0.843	79%	0.789	S	S	*	*			trans	-73.3	126	163.4	-113.2	-95.7	0	0	0	109.8	P280	P280-H282 PolarHBondContact O-N 2.97Å
283	L	28.7	Very low	33	Very low	163 Å²	163	141.5 Å²	141.5	85%	0.853	78%	0.783	S	S	*	*			trans	-87.3	110.1	172	-72.5	170.5	0	0	0	109.8
284	L	29.4	Very low	32.7	Very low	173 Å²	173	143.9 Å²	143.9	91%	0.906	79%	0.789	S	S	*	*			trans	-139.2	134.2	151.7	-75	-178.5	0	0	0	108.7
285	S	26.7	Very low	32.1	Very low	114 Å²	114	142.3 Å²	142.3	80%	0.797	79%	0.788	S	S	*	*			trans	-101.2	131.5	175.6	177.6	0	0	0	0	109.2
286	L	29	Very low	31.8	Very low	176 Å²	176	143.4 Å²	143.4	92%	0.921	79%	0.792	S	S	*	*			trans	-148.4	139.5	149	-143.4	73.2	0	0	0	112.5
287	N	28.4	Very low	31.4	Very low	114 Å²	114	143.9 Å²	143.9	61%	0.61	79%	0.791	S	S	*	*			trans	-78.1	142.1	-176.5	-176.6	11.9	0	0	0	111.6
288	H	31.6	Very low	31.7	Very low	142 Å²	142	147.1 Å²	147.1	66%	0.657	80%	0.797	S	S	*	*				159.8	137.7	119.2	-81.7	109.1	0	0	0	116.1
289	Q	29.1	Very low	31.2	Very low	181 Å²	181	152.6 Å²	152.6	85%	0.846	80%	0.804	S	S	*	*			trans	70	145.9	139.8	-71.6	174.3	-16.7	0	0	122.8
290	I	34.5	Very low	31.4	Very low	138 Å²	138	151.8 Å²	151.8	71%	0.708	81%	0.806	S	S	*	*			trans	-94.5	145	-178.3	-62.7	152.2	0	0	0	109
291	H	27.9	Very low	31.5	Very low	191 Å²	191	151.8 Å²	151.8	88%	0.884	81%	0.806	S	S	*	*			trans	-164.8	147.1	141.7	-96.6	-64.2	0	0	0	112.2
292	H	25.8	Very low	31.4	Very low	166 Å²	166	148.5 Å²	148.5	77%	0.769	80%	0.803	S	S	*	*			trans	-108.2	-177.2	168.3	-49.2	-84.6	0	0	0	108.9
293	P	54.4	Low	31.4	Very low	117 Å²	117	147.8 Å²	147.8	76%	0.76	80%	0.8	S	S	*	*				-125.2	-167.7	-56.7	37.1	-22	0	0	0	110.7
294	T	28.7	Very low	31.4	Very low	136 Å²	136	148.5 Å²	148.5	83%	0.834	80%	0.798	S	S	*	*			trans	146.3	148.9	141.7	-62.8	0	0	0	0	112.1
295	A	31.5	Very low	31.5	Very low	83 Å²	83	150.8 Å²	150.8	69%	0.686	80%	0.795	S	S	*	*			trans	-100.3	159.4	-175.8	0	0	0	0	0	113.8
296	V	28.7	Very low	31.6	Very low	147 Å²	147	154.4 Å²	154.4	89%	0.891	80%	0.797	S	S	*	*			trans	-135.4	143.1	168.4	179.9	0	0	0	0	109.6
297	H	28.6	Very low	31.7	Very low	169 Å²	169	151.5 Å²	151.5	78%	0.782	79%	0.788	S	S	*	*			trans	-85.2	142.7	-173.5	-82	-115.5	0	0	0	114.8
298	V	36.3	Very low	32	Very low	134 Å²	134	150.7 Å²	150.7	81%	0.812	80%	0.797	S	S	*	*			trans	32.9	111	136.1	-171.2	0	0	0	0	118.3
299	R	27.2	Very low	32.1	Very low	242 Å²	242	148.8 Å²	148.8	91%	0.913	80%	0.798	S	S	*	*			trans	-151.3	129.4	138.5	-156.7	170.6	-168.8	143.7	2.7	111.3
300	A	39	Very low	32.4	Very low	93 Å²	93	149.6 Å²	149.6	77%	0.769	80%	0.799	S	S	*	*			trans	-100.4	134	175.1	0	0	0	0	0	111.1
301	P	32.2	Very low	32.6	Very low	123 Å²	123	148.9 Å²	148.9	80%	0.799	80%	0.803	S	S	*	*			trans	-108	120.4	166.8	33.5	-23.9	0	0	0	112.7
302	V	28.6	Very low	33.5	Very low	135 Å²	135	147.1 Å²	147.1	82%	0.818	80%	0.795	S	S	*	*			trans	9.6	139.3	147.2	-174.4	0	0	0	0	119.8
303	Q	32.7	Very low	34.4	Very low	167 Å²	167	149.6 Å²	149.6	78%	0.78	80%	0.798	S	S	*	*			trans	-62.6	141.5	175	-58.5	171.7	-2.9	0	0	114
304	H	28.4	Very low	33.8	Very low	177 Å²	177	150.9 Å²	150.9	82%	0.819	80%	0.798	S	S	*	*			trans	-116.1	128.3	153.8	-80.5	-86.6	0	0	0	109.8
305	R	33	Very low	34.6	Very low	221 Å²	221	147.2 Å²	147.2	83%	0.834	78%	0.777	S	S	*	*			trans	-110.3	117.5	-179.6	175.4	-167.3	-76.1	168.8	-5.9	109.6
306	F	28.3	Very low	35.1	Very low	191 Å²	191	148.3 Å²	148.3	84%	0.838	78%	0.778	S	S	*	*			trans	-136.4	155.5	163.7	-83	-73	0	0	0	109.8
307	P	31.8	Very low	35.7	Very low	115 Å²	115	147.1 Å²	147.1	75%	0.747	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-83.4	156.9	-157.8	32.5	-36.8	0	0	0	114.4
308	A	33.7	Very low	36.8	Very low	96 Å²	96	142 Å²	142	79%	0.793	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-77.9	134.6	170.4	0	0	0	0	0	111.3
309	P	34.8	Very low	37.3	Very low	103 Å²	103	141.1 Å²	141.1	67%	0.669	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-84.1	139.3	167.8	33.5	-32.2	0	0	0	111.4
310	F	35.5	Very low	38.2	Very low	197 Å²	197	135.5 Å²	135.5	86%	0.864	72%	0.724	S	S	*	*	S	Bend	trans	79.1	139.5	174.5	-51.8	-69.4	0	0	0	117.9
311	P	38.8	Very low	38.3	Very low	123 Å²	123	137.1 Å²	137.1	80%	0.799	72%	0.72	S	S	*	*			trans	-95.4	173	-168.7	39.2	-38.4	0	0	0	114.6
312	E	45.7	Very low	38.9	Very low	154 Å²	154	137.3 Å²	137.3	72%	0.72	71%	0.714	S	S	*	*	S	Bend	trans	-61.6	155.7	173	-80.8	-175.9	72.4	0	0	115.3
313	R	45.3	Very low	39.6	Very low	219 Å²	219	135 Å²	135	83%	0.826	71%	0.709	S	S	*	*			trans	59.9	91.2	156	-65.9	163.4	-168.2	-113.7	1.3	117.3
314	L	41.9	Very low	40.1	Very low	144 Å²	144	133.2 Å²	133.2	75%	0.754	71%	0.705	S	S	*	*			trans	-104.2	145.6	150.1	-67.2	178.8	0	0	0	110.6	T318	L314-T318 HydrophobicContact CD2-CG2 4.47Å
315	S	44.4	Very low	40.5	Very low	58 Å²	58	128.2 Å²	128.2	41%	0.406	69%	0.689	S	S	.	*			trans	-80.6	154.6	179.5	79.8	0	0	0	0	112.1	N317 T318	S315-N317 PolarHBondContact O-N 2.94Å; S315-N317 VanDerWaalsContact O-N 3.14Å; S315-T318 WeakPolarHBondContact O-CB 3.32Å; S315-T318 PolarHBondContact O-N 2.88Å; S315-T318 PolarHBondContact O-OG1 3.4Å; S315-T318 PolarHBondContact OG-OG1 2.99Å; S315-T318 VanDerWaalsContact OG-OG1 3.11Å
316	P	43.3	Very low	41	Very low	107 Å²	107	123.5 Å²	123.5	70%	0.695	69%	0.688	S	S	*	*	H	α-helix	trans	-54.4	-34.2	177	-28.1	36	0	0	0	114.3	T318 L319	P316-T318 PolarHBondContact O-N 3.18Å; P316-L319 PolarHBondContact O-N 2.56Å
317	N	41.3	Very low	41.6	Very low	122 Å²	122	121.7 Å²	121.7	65%	0.652	69%	0.686	S	S	*	*	H	α-helix	trans	-65.8	-20.8	178.9	-67.3	-31.4	0	0	0	113.6	S315 N321	S315-N317 PolarHBondContact O-N 2.94Å; S315-N317 VanDerWaalsContact O-N 3.14Å; N317-N321 PolarHBondContact O-ND2 2.91Å
318	T	49.8	Very low	41.9	Very low	60 Å²	60	122.3 Å²	122.3	37%	0.368	69%	0.691	S	S	.	*	H	α-helix	trans	-74.1	-32.9	179.1	-47	0	0	0	0	111.5	L314 S315 P316	L314-T318 HydrophobicContact CD2-CG2 4.47Å; S315-T318 WeakPolarHBondContact O-CB 3.32Å; S315-T318 PolarHBondContact O-N 2.88Å; S315-T318 PolarHBondContact O-OG1 3.4Å; S315-T318 PolarHBondContact OG-OG1 2.99Å; S315-T318 VanDerWaalsContact OG-OG1 3.11Å; P316-T318 PolarHBondContact O-N 3.18Å
319	L	47.9	Very low	42.1	Very low	117 Å²	117	130 Å²	130	61%	0.613	70%	0.7	S	S	*	*	H	α-helix	trans	-72	-35.8	178.5	-66.3	172.8	0	0	0	112.5	P316 N321 L322	P316-L319 PolarHBondContact O-N 2.56Å; L319-N321 PolarHBondContact O-N 3.4Å; L319-L322 PolarHBondContact O-N 2.88Å
320	L	45.3	Very low	41.9	Very low	124 Å²	124	128 Å²	128	65%	0.649	70%	0.698	S	S	*	*	H	α-helix	trans	-64	-26.3	-177.6	-137.6	78.5	0	0	0	113.4	N324	L320-N324 PolarHBondContact O-ND2 3.35Å
321	N	41.3	Very low	42.3	Very low	126 Å²	126	124.5 Å²	124.5	67%	0.674	70%	0.695	S	S	*	*	H	α-helix	trans	-80.4	-28.8	178.3	-75.1	-74.5	0	0	0	112.9	N317 L319 N324	N317-N321 PolarHBondContact O-ND2 2.91Å; L319-N321 PolarHBondContact O-N 3.4Å; N321-N324 PolarHBondContact O-N 3.47Å
322	L	45	Very low	42	Very low	128 Å²	128	128.3 Å²	128.3	67%	0.67	70%	0.7	S	S	*	*	H	α-helix	trans	-67.5	-35	175.7	-96.3	155.2	0	0	0	112.4	L319 N324 S325	L319-L322 PolarHBondContact O-N 2.88Å; L322-N324 PolarHBondContact O-N 2.98Å; L322-S325 PolarHBondContact O-N 2.88Å
323	A	44.6	Very low	41.6	Very low	86 Å²	86	126.3 Å²	126.3	71%	0.711	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-13.9	179.3	0	0	0	0	0	114.6
324	N	42.1	Very low	41.4	Very low	130 Å²	130	122 Å²	122	70%	0.695	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	11.5	-177.3	-72.8	-69	0	0	0	113.7	L320 N321 L322	L320-N324 PolarHBondContact O-ND2 3.35Å; N321-N324 PolarHBondContact O-N 3.47Å; L322-N324 PolarHBondContact O-N 2.98Å
325	S	36.9	Very low	41.2	Very low	72 Å²	72	126.9 Å²	126.9	50%	0.503	71%	0.708	S	S	.	*			trans	-81.1	127.7	177.2	-172.9	0	0	0	0	112	L322 L327	L322-S325 PolarHBondContact O-N 2.88Å; S325-L327 VanDerWaalsContact C-N 3.25Å; S325-L327 PolarHBondContact O-N 2.88Å; S325-L327 VanDerWaalsContact O-N 3.09Å
326	P	43.5	Very low	40.9	Very low	122 Å²	122	131 Å²	131	79%	0.792	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.7	14.4	-168.1	32.8	-37.3	0	0	0	115.6
327	L	41.2	Very low	41.1	Very low	153 Å²	153	128.7 Å²	128.7	80%	0.801	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117	14.7	-165.2	-67.6	177.6	0	0	0	116.1	S325	S325-L327 VanDerWaalsContact C-N 3.25Å; S325-L327 PolarHBondContact O-N 2.88Å; S325-L327 VanDerWaalsContact O-N 3.09Å
328	C	37.3	Very low	41.4	Very low	128 Å²	128	128.2 Å²	128.2	87%	0.865	73%	0.73	S	S	*	*			trans	-129	104.1	175	-65.5	0	0	0	0	112.2
329	R	38.4	Very low	41.1	Very low	256 Å²	256	132.1 Å²	132.1	97%	0.966	75%	0.754	S	S	*	*			trans	-118.6	106.5	173.4	-166.5	-179.8	-171	-166.4	3.2	110
330	G	31	Very low	41.2	Very low	62 Å²	62	129.2 Å²	129.2	64%	0.639	74%	0.738	S	S	*	*			trans	-114	161	175.7	0	0	0	0	0	112.3
331	P	42.8	Very low	41.6	Very low	123 Å²	123	126.1 Å²	126.1	80%	0.799	73%	0.727	S	S	*	*			trans	-98.2	121.5	-157	34.9	-33.2	0	0	0	115.3
332	F	32.6	Very low	41.9	Very low	204 Å²	204	127.9 Å²	127.9	90%	0.895	73%	0.731	S	S	*	*			trans	-141.7	153.3	158.8	-79.2	-72.4	0	0	0	110.3
333	P	37.1	Very low	42	Very low	111 Å²	111	127.7 Å²	127.7	72%	0.721	73%	0.73	S	S	*	*			trans	-80.6	154	-165.2	31.3	-36.2	0	0	0	114.5	R335	P333-R335 PolarHBondContact O-N 3.26Å
334	P	42.1	Very low	42.2	Very low	128 Å²	128	127.8 Å²	127.8	83%	0.831	72%	0.716	S	S	*	*			trans	-89.4	101.9	-173.1	34	-33.6	0	0	0	113
335	R	36.8	Very low	42.8	Very low	247 Å²	247	128.2 Å²	128.2	93%	0.932	71%	0.708	S	S	*	*			trans	-155.3	33	163.9	-120.7	169.6	-157.6	-127.4	2	116.7	P333	P333-R335 PolarHBondContact O-N 3.26Å
336	V	38.5	Very low	43.3	Very low	145 Å²	145	127.3 Å²	127.3	88%	0.879	70%	0.704	S	S	*	*	S	Bend	trans	-135.4	132.8	163.2	-153.4	0	0	0	0	108.5
337	G	47.5	Very low	43.4	Very low	58 Å²	58	127.3 Å²	127.3	60%	0.598	69%	0.694	S	S	*	*			trans	-74.7	149.8	174	0	0	0	0	0	111.5	V339	G337-V339 PolarHBondContact O-N 2.87Å
338	P	47.6	Very low	43.8	Very low	113 Å²	113	124.7 Å²	124.7	73%	0.734	68%	0.68	S	S	*	*			trans	-68.7	126.7	178.3	28.4	-33.7	0	0	0	110.9	L340	P338-L340 PolarHBondContact O-N 2.89Å; P338-L340 VanDerWaalsContact O-N 3.12Å
339	V	44.3	Very low	44.4	Very low	142 Å²	142	124.7 Å²	124.7	86%	0.861	67%	0.671	S	S	*	*			trans	-68.1	109.2	171.4	178.6	0	0	0	0	108.7	G337	G337-V339 PolarHBondContact O-N 2.87Å
340	L	49.4	Very low	44.5	Very low	56 Å²	56	119.6 Å²	119.6	29%	0.293	66%	0.663	S	S	.	*			trans	-77.1	131.3	-177.5	-62.5	-179.3	0	0	0	111.7	P338 Q344 R345 L348	P338-L340 PolarHBondContact O-N 2.89Å; P338-L340 VanDerWaalsContact O-N 3.12Å; L340-Q344 HydrophobicContact CB-CB 4.12Å; L340-Q344 HydrophobicContact CD2-CB 4.3Å; L340-R345 PolarHBondContact O-NH2 3.23Å; L340-L348 HydrophobicContact CD1-CD1 3.37Å
341	S	54.3	Low	45	Very low	59 Å²	59	121.1 Å²	121.1	41%	0.413	66%	0.664	S	S	.	*			trans	-59.1	156.1	170.5	66	0	0	0	0	111.3	L343 Q344 R345	S341-L343 PolarHBondContact O-N 3.33Å; S341-L343 VanDerWaalsContact O-N 3.14Å; S341-Q344 PolarHBondContact O-N 2.93Å; S341-Q344 WeakPolarHBondContact OG-CG 3.41Å; S341-Q344 PolarHBondContact OG-N 3.39Å; S341-Q344 PolarHBondContact OG-OE1 2.9Å; S341-R345 PolarHBondContact O-N 3.43Å
342	Q	47.4	Very low	44.9	Very low	163 Å²	163	123.2 Å²	123.2	76%	0.762	66%	0.663	S	S	*	*	H	α-helix	trans	-52.5	-37.6	178.3	-76.7	174.9	-36.4	0	0	112.5	R345 A346	Q342-R345 WeakPolarHBondContact O-CB 3.48Å; Q342-R345 PolarHBondContact O-N 2.87Å; Q342-A346 PolarHBondContact O-N 3.2Å
343	L	47	Very low	45.2	Very low	124 Å²	124	119.9 Å²	119.9	65%	0.649	66%	0.659	S	S	*	*	H	α-helix	trans	-67.6	-39.8	179.2	-168.5	67.1	0	0	0	112.7	S341 R345 A346 Q347	S341-L343 PolarHBondContact O-N 3.33Å; S341-L343 VanDerWaalsContact O-N 3.14Å; L343-R345 VanDerWaalsContact C-N 3.33Å; L343-A346 PolarHBondContact O-N 3.48Å; L343-Q347 WeakPolarHBondContact O-CG 3.5Å; L343-Q347 PolarHBondContact O-N 2.89Å; L343-Q347 VanDerWaalsContact O-N 3.11Å
344	Q	48.7	Very low	45.3	Very low	88 Å²	88	119.2 Å²	119.2	41%	0.411	66%	0.663	S	S	.	*	H	α-helix	trans	-68.7	-34.1	174.4	-70.4	163.8	-60	0	0	111.7	L340 S341 Q347 L348	L340-Q344 HydrophobicContact CB-CB 4.12Å; L340-Q344 HydrophobicContact CD2-CB 4.3Å; S341-Q344 PolarHBondContact O-N 2.93Å; S341-Q344 WeakPolarHBondContact OG-CG 3.41Å; S341-Q344 PolarHBondContact OG-N 3.39Å; S341-Q344 PolarHBondContact OG-OE1 2.9Å; Q344-Q347 PolarHBondContact O-N 3.49Å; Q344-L348 PolarHBondContact O-N 3.08Å; Q344-L348 VanDerWaalsContact O-N 3.15Å
345	R	53.7	Low	44.7	Very low	139 Å²	139	116.8 Å²	116.8	53%	0.525	66%	0.662	S	S	.	*	H	α-helix	trans	-64.4	-44	175	-143.5	176.6	-58	161.9	3.4	111.4	L340 S341 Q342 L343 Q347 L348 L349	L340-R345 PolarHBondContact O-NH2 3.23Å; S341-R345 PolarHBondContact O-N 3.43Å; Q342-R345 WeakPolarHBondContact O-CB 3.48Å; Q342-R345 PolarHBondContact O-N 2.87Å; L343-R345 VanDerWaalsContact C-N 3.33Å; R345-Q347 VanDerWaalsContact C-N 3.31Å; R345-Q347 PolarHBondContact O-N 2.83Å; R345-L348 PolarHBondContact O-N 2.84Å; R345-L349 PolarHBondContact O-N 2.9Å
346	A	47.2	Very low	44.5	Very low	52 Å²	52	115 Å²	115	43%	0.43	66%	0.661	S	S	.	*	H	α-helix	trans	-63.5	-33.6	173.6	0	0	0	0	0	113.2	Q342 L343 N350	Q342-A346 PolarHBondContact O-N 3.2Å; L343-A346 PolarHBondContact O-N 3.48Å; A346-N350 PolarHBondContact O-N 3.49Å
347	Q	46.5	Very low	44.5	Very low	122 Å²	122	114.1 Å²	114.1	57%	0.57	66%	0.658	S	S	*	*	H	α-helix	trans	-69.1	-35.5	175.9	-74.5	171.4	-9.5	0	0	112.9	L343 Q344 R345 N350	L343-Q347 WeakPolarHBondContact O-CG 3.5Å; L343-Q347 PolarHBondContact O-N 2.89Å; L343-Q347 VanDerWaalsContact O-N 3.11Å; Q344-Q347 PolarHBondContact O-N 3.49Å; R345-Q347 VanDerWaalsContact C-N 3.31Å; R345-Q347 PolarHBondContact O-N 2.83Å; Q347-N350 PolarHBondContact O-N 3.44Å
348	L	49.8	Very low	43.9	Very low	99 Å²	99	123.4 Å²	123.4	52%	0.518	68%	0.675	S	S	.	*	H	α-helix	trans	-67.9	-40.5	176.4	-79.2	167.4	0	0	0	113	L340 Q344 R345 N350 S351	L340-L348 HydrophobicContact CD1-CD1 3.37Å; Q344-L348 PolarHBondContact O-N 3.08Å; Q344-L348 VanDerWaalsContact O-N 3.15Å; R345-L348 PolarHBondContact O-N 2.84Å; L348-N350 PolarHBondContact O-N 3.01Å; L348-S351 WeakPolarHBondContact O-CB 3.46Å; L348-S351 PolarHBondContact O-N 3.05Å
349	L	48.9	Very low	43	Very low	127 Å²	127	122.1 Å²	122.1	67%	0.665	68%	0.683	S	S	*	*	H	α-helix	trans	-58	-36.7	175.8	-72.8	166.4	0	0	0	111.9	R345 S351 Q352	R345-L349 PolarHBondContact O-N 2.9Å; L349-S351 PolarHBondContact O-N 2.68Å; L349-Q352 PolarHBondContact O-N 2.92Å
350	N	40.8	Very low	42.3	Very low	149 Å²	149	118.7 Å²	118.7	80%	0.797	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-5	177.2	-159.8	59.9	0	0	0	114	A346 Q347 L348	A346-N350 PolarHBondContact O-N 3.49Å; Q347-N350 PolarHBondContact O-N 3.44Å; L348-N350 PolarHBondContact O-N 3.01Å
351	S	41.3	Very low	41.8	Very low	95 Å²	95	122.6 Å²	122.6	66%	0.664	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	-2.3	179.8	-167.1	0	0	0	0	114.1	L348 L349	L348-S351 WeakPolarHBondContact O-CB 3.46Å; L348-S351 PolarHBondContact O-N 3.05Å; L349-S351 PolarHBondContact O-N 2.68Å
352	Q	41.5	Very low	40.9	Very low	166 Å²	166	123.4 Å²	123.4	78%	0.776	72%	0.722	S	S	*	*	S	Bend	trans	-92.7	-5.5	-178.2	-73.7	-81.9	0.6	0	0	113.8	L349	L349-Q352 PolarHBondContact O-N 2.92Å
353	V	39.5	Very low	40.3	Very low	134 Å²	134	121.6 Å²	121.6	81%	0.812	73%	0.725	S	S	*	*	S	Bend	trans	-116.1	48	-172.4	-162.7	0	0	0	0	112.5
354	A	39.2	Very low	40.1	Very low	97 Å²	97	122 Å²	122	80%	0.802	73%	0.734	S	S	*	*			trans	-166	101.2	162.9	0	0	0	0	0	111.2
355	G	29.3	Very low	39.5	Very low	78 Å²	78	125.9 Å²	125.9	80%	0.804	76%	0.757	S	S	*	*			trans	-174.9	64.1	-176.6	0	0	0	0	0	117.7
356	F	31.2	Very low	38.5	Very low	210 Å²	210	127.9 Å²	127.9	92%	0.921	78%	0.777	S	S	*	*			trans	-82.5	134.5	159.8	-80.4	-82	0	0	0	110.3
357	P	40.1	Very low	37.6	Very low	125 Å²	125	130.2 Å²	130.2	81%	0.812	80%	0.797	S	S	*	*			trans	-79.9	129.6	178.5	31	-33.5	0	0	0	112.1
358	R	34.4	Very low	36.7	Very low	253 Å²	253	128.5 Å²	128.5	96%	0.955	81%	0.812	S	S	*	*			trans	-144.3	126.6	162.1	-132.2	-178.9	-174.5	-153.1	0.3	109.8
359	G	29	Very low	35.7	Very low	87 Å²	87	127 Å²	127	90%	0.897	82%	0.819	S	S	*	*			trans	-82.5	150.8	-171.4	0	0	0	0	0	114.7
360	G	28.4	Very low	34.8	Very low	70 Å²	70	124.9 Å²	124.9	72%	0.722	83%	0.829	S	S	*	*			trans	169.3	141.9	173.8	0	0	0	0	0	110.4
361	P	38.7	Very low	34.3	Very low	138 Å²	138	127.7 Å²	127.7	90%	0.896	83%	0.834	S	S	*	*			trans	-79	144.7	-173.5	31.5	-35.1	0	0	0	112.9
362	G	35.4	Very low	34.2	Very low	75 Å²	75	134 Å²	134	77%	0.773	84%	0.844	S	S	*	*			trans	-104.6	146	-178.9	0	0	0	0	0	114.6
363	P	34.9	Very low	34.3	Very low	126 Å²	126	131.7 Å²	131.7	82%	0.818	84%	0.843	S	S	*	*			trans	-88.7	170.4	166.2	36.1	-32.5	0	0	0	112.5
364	P	43.7	Very low	34	Very low	131 Å²	131	135.2 Å²	135.2	85%	0.851	85%	0.847	S	S	*	*			trans	-94.7	175.5	-151.2	36.6	-38.2	0	0	0	117.6
365	L	35	Very low	33.7	Very low	170 Å²	170	139.6 Å²	139.6	89%	0.89	85%	0.849	S	S	*	*			trans	-61.3	145.3	-175.4	-57.3	167.1	0	0	0	115.3
366	L	33.1	Very low	33.7	Very low	182 Å²	182	139.9 Å²	139.9	95%	0.953	85%	0.852	S	S	*	*			trans	-137.2	160.7	147.7	-95.6	174.6	0	0	0	109.7
367	A	28.6	Very low	33.6	Very low	101 Å²	101	133.5 Å²	133.5	84%	0.835	85%	0.845	S	S	*	*			trans	-120.9	154.4	-157.9	0	0	0	0	0	115.2
368	G	27.7	Very low	33.5	Very low	86 Å²	86	133.5 Å²	133.5	89%	0.887	85%	0.845	S	S	*	*			trans	94.2	130.7	158.3	0	0	0	0	0	116.1
369	G	28.6	Very low	33.6	Very low	66 Å²	66	127.1 Å²	127.1	68%	0.68	84%	0.836	S	S	*	*			trans	151.5	114.4	173.5	0	0	0	0	0	112.4
370	G	29.9	Very low	34.3	Very low	83 Å²	83	128.4 Å²	128.4	86%	0.856	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-88.7	141.8	176.5	0	0	0	0	0	112.3
371	F	30.7	Very low	35.1	Very low	208 Å²	208	129.9 Å²	129.9	91%	0.912	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-97.1	124.1	-178.5	-74	-90.7	0	0	0	112.6
372	R	38.8	Very low	34.9	Very low	229 Å²	229	132 Å²	132	86%	0.864	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-104	148.5	157.3	-81	-177.7	170.9	-101.6	0.8	108.9
373	P	44	Very low	34.7	Very low	117 Å²	117	130.9 Å²	130.9	76%	0.76	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-73.7	139.7	-175.4	30.2	-35.3	0	0	0	112
374	F	33.6	Very low	34.5	Very low	207 Å²	207	134.4 Å²	134.4	91%	0.908	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-89	138.3	177.7	-129.3	-89.4	0	0	0	111.6
375	F	32.6	Very low	34	Very low	190 Å²	190	139.9 Å²	139.9	83%	0.833	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-102.8	141.7	173	-97.9	-103.9	0	0	0	110.7
376	G	29.9	Very low	33.9	Very low	84 Å²	84	140.9 Å²	140.9	87%	0.866	82%	0.823	S	S	*	*			trans	51.2	114.5	147	0	0	0	0	0	120.9
377	G	29.5	Very low	33.9	Very low	75 Å²	75	135.4 Å²	135.4	77%	0.773	81%	0.811	S	S	*	*			trans	-136.2	156.4	160.8	0	0	0	0	0	111.5
378	P	36.2	Very low	34.4	Very low	126 Å²	126	137 Å²	137	82%	0.818	81%	0.813	S	S	*	*			trans	-98.8	162.6	-161.4	37.9	-37.2	0	0	0	116.2
379	P	37.2	Very low	34.7	Very low	119 Å²	119	140.9 Å²	140.9	77%	0.773	81%	0.812	S	S	*	*			trans	-100.1	-175.7	167.2	45.4	-38.2	0	0	0	111.1
380	P	45	Very low	35.2	Very low	113 Å²	113	143 Å²	143	73%	0.734	81%	0.814	S	S	*	*				-134.3	179.8	-84.5	39.1	-20.7	0	0	0	114.2
381	P	43.7	Very low	36	Very low	102 Å²	102	144.7 Å²	144.7	66%	0.662	81%	0.81	S	S	*	*			trans	-118.8	152.7	144.3	30.6	-17.3	0	0	0	110.7
382	H	34.3	Very low	36.4	Very low	181 Å²	181	143.8 Å²	143.8	84%	0.838	81%	0.808	S	S	*	*				-156.1	149.8	52.1	-71.7	69.7	0	0	0	114.2
383	G	31.4	Very low	36.2	Very low	53 Å²	53	136 Å²	136	55%	0.546	80%	0.799	S	S	.	*				47.5	114.7	129.2	0	0	0	0	0	123.8
384	H	31.4	Very low	35.8	Very low	200 Å²	200	136.3 Å²	136.3	93%	0.926	80%	0.801	S	S	*	*			trans	59.8	134	142.7	-38.4	-70.8	0	0	0	118.5
385	R	32.5	Very low	36.1	Very low	245 Å²	245	131.5 Å²	131.5	93%	0.925	79%	0.791	S	S	*	*			cis	-161.7	154.3	45.6	-171.7	179.8	-169.8	176.4	3.4	110.5
386	M	34.7	Very low	36	Very low	191 Å²	191	130 Å²	130	94%	0.941	79%	0.791	S	S	*	*			trans	-72.7	146.4	-179.6	-64.1	-72.5	-105.5	0	0	113.4
387	G	33	Very low	36.3	Very low	67 Å²	67	134 Å²	134	69%	0.691	79%	0.787	S	S	*	*			trans	-157.7	149.9	167.2	0	0	0	0	0	111.3
388	P	37.4	Very low	36.5	Very low	134 Å²	134	135.8 Å²	135.8	87%	0.87	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-78.6	157.4	-172.1	-15.4	32	0	0	0	115.2
389	L	33.9	Very low	36.4	Very low	169 Å²	169	134.9 Å²	134.9	89%	0.885	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-80.1	136.9	176.5	-74.4	151.8	0	0	0	112.9
390	P	40.4	Very low	36.2	Very low	111 Å²	111	134.2 Å²	134.2	72%	0.721	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-78.3	158.4	152.9	-9.5	27.6	0	0	0	111.5
391	P	46.4	Very low	35.8	Very low	118 Å²	118	135.7 Å²	135.7	77%	0.766	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-83.7	145.3	-172	32.7	-35.6	0	0	0	115
392	H	38.1	Very low	35.4	Very low	189 Å²	189	139.8 Å²	139.8	88%	0.875	78%	0.775	S	S	*	*			trans	14.6	98.2	155.5	-58.4	-74.7	0	0	0	119.4
393	G	35	Very low	35.6	Very low	65 Å²	65	138.1 Å²	138.1	67%	0.67	77%	0.768	S	S	*	*			trans	-91	153.8	142.9	0	0	0	0	0	110.7
394	P	36.4	Very low	36.1	Very low	123 Å²	123	140.1 Å²	140.1	80%	0.799	77%	0.766	S	S	*	*			trans	-67.6	147.4	177	28.9	-34.6	0	0	0	111.4	N396	P394-N396 PolarHBondContact O-N 3.25Å; P394-N396 VanDerWaalsContact O-N 3.15Å
395	P	38.8	Very low	36.8	Very low	107 Å²	107	133.6 Å²	133.6	70%	0.695	74%	0.74	S	S	*	*			trans	-69.4	114.1	179.5	28.2	-33.3	0	0	0	110.3	H397	P395-H397 VanDerWaalsContact C-N 3.26Å; P395-H397 PolarHBondContact O-N 3.48Å
396	N	30.5	Very low	37.9	Very low	157 Å²	157	122.2 Å²	122.2	84%	0.84	70%	0.698	S	S	*	*			trans	-71.3	84.3	173.2	-131.6	0.1	0	0	0	108.9	P394 T398	P394-N396 PolarHBondContact O-N 3.25Å; P394-N396 VanDerWaalsContact O-N 3.15Å; N396-T398 PolarHBondContact O-N 2.56Å
397	H	36.5	Very low	39.2	Very low	168 Å²	168	117.8 Å²	117.8	78%	0.778	68%	0.675	S	S	*	*			trans	-68.8	83.8	166.9	-87.2	-59.6	0	0	0	108.8	P395 P399	P395-H397 VanDerWaalsContact C-N 3.26Å; P395-H397 PolarHBondContact O-N 3.48Å; H397-P399 VanDerWaalsContact O-CD 3.31Å; H397-P399 WeakPolarHBondContact O-CD 3.33Å; H397-P399 VanDerWaalsContact O-N 3.16Å
398	T	33.6	Very low	40.8	Very low	113 Å²	113	115.7 Å²	115.7	69%	0.693	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-54.8	117.9	153.2	40.2	0	0	0	0	107	N396	N396-T398 PolarHBondContact O-N 2.56Å
399	P	33.8	Very low	42.4	Very low	108 Å²	108	110.2 Å²	110.2	70%	0.701	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-61.5	133.7	172.5	26.3	-32.3	0	0	0	106.9	H397 I401	H397-P399 VanDerWaalsContact O-CD 3.31Å; H397-P399 WeakPolarHBondContact O-CD 3.33Å; H397-P399 VanDerWaalsContact O-N 3.16Å; P399-I401 PolarHBondContact O-N 2.84Å
400	P	33.9	Very low	44.2	Very low	105 Å²	105	106 Å²	106	68%	0.682	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-57.8	132.1	174.4	25.5	-33.4	0	0	0	107.6	R402	P400-R402 VanDerWaalsContact C-N 3.31Å; P400-R402 PolarHBondContact O-N 3.46Å
401	I	36.1	Very low	45.7	Very low	143 Å²	143	104.3 Å²	104.3	73%	0.733	58%	0.576	S	S	*	*			trans	-59.5	98.1	179.6	-63.5	174.2	0	0	0	107.5	P399 H403	P399-I401 PolarHBondContact O-N 2.84Å; I401-H403 VanDerWaalsContact C-N 3.26Å; I401-H403 PolarHBondContact O-CD2 3.34Å; I401-H403 PolarHBondContact O-N 3.24Å
402	R	35.2	Very low	47	Very low	188 Å²	188	101.4 Å²	101.4	71%	0.709	55%	0.552	S	S	*	*			trans	-77	86.3	175.6	-75.1	-178.3	175.3	180	0.4	106.4	P400 N404	P400-R402 VanDerWaalsContact C-N 3.31Å; P400-R402 PolarHBondContact O-N 3.46Å; R402-N404 PolarHBondContact O-N 2.96Å
403	H	38.2	Very low	48.7	Very low	147 Å²	147	95.9 Å²	95.9	68%	0.681	52%	0.523	S	S	*	.			trans	-43.8	113.5	158.5	-53.4	-77.4	0	0	0	106.6	I401 T405	I401-H403 VanDerWaalsContact C-N 3.26Å; I401-H403 PolarHBondContact O-CD2 3.34Å; I401-H403 PolarHBondContact O-N 3.24Å; H403-T405 HydrophobicContact CB-CG2 3.96Å; H403-T405 PolarHBondContact O-N 3.18Å
404	N	42.6	Very low	50.7	Low	94 Å²	94	100.8 Å²	100.8	50%	0.503	52%	0.521	S	S	.	.			trans	-85.7	48.9	-161.7	-156.4	27.7	0	0	0	111	R402 T406 R413	R402-N404 PolarHBondContact O-N 2.96Å; N404-T406 PolarHBondContact O-N 3.41Å; N404-R413 PolarHBondContact OD1-NH1 2.96Å
405	T	46.6	Very low	52.7	Low	64 Å²	64	99.7 Å²	99.7	39%	0.393	51%	0.507	S	S	.	.			trans	-72.7	23.9	-167.1	56.6	0	0	0	0	114.5	H403 Q461	H403-T405 HydrophobicContact CB-CG2 3.96Å; H403-T405 PolarHBondContact O-N 3.18Å; T405-Q461 VanDerWaalsContact O-CG 3.23Å; T405-Q461 WeakPolarHBondContact O-CG 3.47Å
406	T	54.4	Low	54.4	Low	6 Å²	6	96.5 Å²	96.5	4%	0.037	48%	0.484	C	S	.	.			trans	-155.3	105.4	174	21.9	0	0	0	0	107.8	N404 L408 M457 L460	N404-T406 PolarHBondContact O-N 3.41Å; T406-L408 HydrophobicContact CG2-CD1 3.76Å; T406-L408 HydrophobicContact CG2-CG 3.98Å; T406-L408 PolarHBondContact O-N 3.02Å; T406-M457 HydrophobicContact CG2-CE 3.52Å; T406-M457 HydrophobicContact CG2-SD 4.12Å; T406-M457 VanDerWaalsContact OG1-CE 3.3Å; T406-M457 WeakPolarHBondContact OG1-CE 3.48Å; T406-L460 HydrophobicContact CG2-CB 4.04Å
407	H	62.8	Low	56.4	Low	98 Å²	98	92.2 Å²	92.2	45%	0.454	46%	0.463	S	S	.	.			trans	-75.2	33.9	173.3	-69.3	-124.1	0	0	0	111.2	H409 P465	H407-H409 PolarHBondContact O-N 3.48Å; H407-P465 HydrophobicContact CB-CB 4.09Å; H407-P465 HydrophobicContact CB-CG 3.79Å
408	L	65.8	Low	58.3	Low	22 Å²	22	90.3 Å²	90.3	12%	0.115	46%	0.455	C	S	.	.			trans	-76.1	120.1	-180	-63.7	176	0	0	0	109.7	T406 L416 Y472	T406-L408 HydrophobicContact CG2-CD1 3.76Å; T406-L408 HydrophobicContact CG2-CG 3.98Å; T406-L408 PolarHBondContact O-N 3.02Å; L408-L416 HydrophobicContact CD1-CD2 4.25Å; L408-Y472 HydrophobicContact CD2-CE1 4.41Å
409	H	71.4	Confident	60.1	Low	20 Å²	20	93.5 Å²	93.5	9%	0.093	45%	0.454	C	S	.	.			trans	-33	135.7	173.1	-170.3	-89	0	0	0	114.1	H407 Q411 H412 R413 Y472 Y476 E480	H407-H409 PolarHBondContact O-N 3.48Å; H409-Q411 WeakPolarHBondContact CE1-CG 2.95Å; H409-Q411 PolarHBondContact CE1-NE2 3Å; H409-Q411 WeakPolarHBondContact ND1-CB 3.49Å; H409-Q411 PolarHBondContact ND1-N 3.1Å; H409-Q411 PolarHBondContact O-N 3.29Å; H409-H412 HydrophobicContact CB-CB 4.45Å; H409-H412 PolarHBondContact O-N 3.17Å; H409-R413 PolarHBondContact O-N 2.82Å; H409-Y472 PolarHBondContact N-OH 2.94Å; H409-Y476 HydrophobicContact CB-CD1 3.74Å; H409-Y476 HydrophobicContact CB-CD2 4.09Å; H409-Y476 HydrophobicContact CB-CE1 3.94Å; H409-Y476 HydrophobicContact CB-CE2 4.31Å; H409-Y476 HydrophobicContact CB-CG 3.82Å; H409-Y476 AromaticContact CD2-CD1 3.51Å; H409-Y476 AromaticContact CD2-CG 3.79Å; H409-Y476 AromaticContact CG-CD1 3.25Å; H409-Y476 AromaticContact CG-CE1 3.67Å; H409-Y476 AromaticContact CG-CG 3.71Å; H409-Y476 AromaticContact ND1-CD1 3.5Å; H409-Y476 AromaticContact ND1-CE1 3.59Å; H409-E480 IonicContact CD2-OE1 2.7Å; H409-E480 IonicContact CE1-OE1 3.55Å; H409-E480 WeakPolarHBondContact NE2-CG 3.48Å; H409-E480 CovalentContact NE2-OE1 1.73Å; H409-E480 IonicContact NE2-OE1 3.72Å; H409-E480 PolarHBondContact NE2-OE1 3.29Å; H409-E480 IonicContact NE2-OE2 3.76Å; H409-E480 PolarHBondContact NE2-OE2 2.94Å
410	P	71.4	Confident	61.7	Low	80 Å²	80	91.7 Å²	91.7	52%	0.519	44%	0.437	S	S	.	.	H	α-helix	trans	-56.1	-26.7	-175.2	-28.3	36	0	0	0	115.8	R414	P410-R414 WeakPolarHBondContact O-CB 3.45Å; P410-R414 VanDerWaalsContact O-CG 3.29Å; P410-R414 WeakPolarHBondContact O-CG 3.37Å; P410-R414 PolarHBondContact O-N 3.09Å; P410-R414 PolarHBondContact O-NE 2.82Å
411	Q	71.3	Confident	63.2	Low	76 Å²	76	93.2 Å²	93.2	36%	0.355	44%	0.435	S	S	.	.	H	α-helix	trans	-72.3	-49.2	172.1	-64.7	-178.7	29.4	0	0	111.3	H409 R413 R414 M415	H409-Q411 WeakPolarHBondContact CE1-CG 2.95Å; H409-Q411 PolarHBondContact CE1-NE2 3Å; H409-Q411 WeakPolarHBondContact ND1-CB 3.49Å; H409-Q411 PolarHBondContact ND1-N 3.1Å; H409-Q411 PolarHBondContact O-N 3.29Å; Q411-R413 VanDerWaalsContact C-N 3.34Å; Q411-R413 PolarHBondContact O-N 3.18Å; Q411-R414 WeakPolarHBondContact O-CB 3.14Å; Q411-R414 PolarHBondContact O-N 3.45Å; Q411-R414 VanDerWaalsContact O-N 3.11Å; Q411-M415 PolarHBondContact O-N 3.07Å
412	H	74.3	Confident	64.4	Low	57 Å²	57	91 Å²	91	26%	0.264	43%	0.432	S	S	.	.	H	α-helix	trans	-61	-42.1	176.4	-173.3	-162.6	0	0	0	111.9	H409 R414 M415 L416 Y472	H409-H412 HydrophobicContact CB-CB 4.45Å; H409-H412 PolarHBondContact O-N 3.17Å; H412-R414 VanDerWaalsContact C-N 3.3Å; H412-R414 PolarHBondContact O-N 2.64Å; H412-M415 HydrophobicContact CB-CE 4.45Å; H412-M415 PolarHBondContact O-N 3.46Å; H412-L416 WeakPolarHBondContact O-CB 3.38Å; H412-L416 PolarHBondContact O-N 2.96Å; H412-Y472 WeakPolarHBondContact CB-OH 3.47Å; H412-Y472 AromaticContact ND1-CE2 3.55Å; H412-Y472 AromaticContact ND1-CZ 3.61Å; H412-Y472 PolarHBondContact ND1-OH 3.3Å
413	R	75	Confident	65.5	Low	72 Å²	72	91.7 Å²	91.7	27%	0.272	44%	0.435	S	S	.	.	H	α-helix	trans	-60.1	-37.7	174.4	-166.1	172.3	-171.9	159.2	3.1	112.3	N404 H409 Q411 T417	N404-R413 PolarHBondContact OD1-NH1 2.96Å; H409-R413 PolarHBondContact O-N 2.82Å; Q411-R413 VanDerWaalsContact C-N 3.34Å; Q411-R413 PolarHBondContact O-N 3.18Å; R413-T417 WeakPolarHBondContact O-CB 3.36Å; R413-T417 PolarHBondContact O-N 3.05Å; R413-T417 PolarHBondContact O-OG1 3.33Å
414	R	76.6	Confident	66.2	Low	168 Å²	168	87 Å²	87	63%	0.634	43%	0.427	S	S	*	.	H	α-helix	trans	-66.1	-48.7	172.3	-79.9	179.2	-72.9	-173.8	1.6	111.9	P410 Q411 H412 L416 T417 Q418	P410-R414 WeakPolarHBondContact O-CB 3.45Å; P410-R414 VanDerWaalsContact O-CG 3.29Å; P410-R414 WeakPolarHBondContact O-CG 3.37Å; P410-R414 PolarHBondContact O-N 3.09Å; P410-R414 PolarHBondContact O-NE 2.82Å; Q411-R414 WeakPolarHBondContact O-CB 3.14Å; Q411-R414 PolarHBondContact O-N 3.45Å; Q411-R414 VanDerWaalsContact O-N 3.11Å; H412-R414 VanDerWaalsContact C-N 3.3Å; H412-R414 PolarHBondContact O-N 2.64Å; R414-L416 PolarHBondContact O-N 3.37Å; R414-T417 PolarHBondContact O-N 2.85Å; R414-Q418 WeakPolarHBondContact O-CB 3.4Å; R414-Q418 PolarHBondContact O-N 3.37Å
415	M	77.1	Confident	66.5	Low	100 Å²	100	85.3 Å²	85.3	49%	0.493	43%	0.431	S	S	.	.	H	α-helix	trans	-59	-43.9	177.3	-69.7	-169.1	-73.7	0	0	112.4	Q411 H412 Q418 R419	Q411-M415 PolarHBondContact O-N 3.07Å; H412-M415 HydrophobicContact CB-CE 4.45Å; H412-M415 PolarHBondContact O-N 3.46Å; M415-Q418 PolarHBondContact O-N 3.25Å; M415-R419 WeakPolarHBondContact O-CB 3.44Å; M415-R419 PolarHBondContact O-N 3.15Å
416	L	74.8	Confident	66.5	Low	40 Å²	40	88.5 Å²	88.5	21%	0.209	45%	0.446	C	S	.	.	H	α-helix	trans	-63.2	-46.1	176.6	-171.6	69.4	0	0	0	111.2	L408 H412 R414 Q418 R419 M420 M457	L408-L416 HydrophobicContact CD1-CD2 4.25Å; H412-L416 WeakPolarHBondContact O-CB 3.38Å; H412-L416 PolarHBondContact O-N 2.96Å; R414-L416 PolarHBondContact O-N 3.37Å; L416-Q418 PolarHBondContact O-N 2.95Å; L416-R419 PolarHBondContact O-N 3.48Å; L416-M420 HydrophobicContact CD1-CE 4.2Å; L416-M420 WeakPolarHBondContact O-CG 3.28Å; L416-M420 PolarHBondContact O-N 3.03Å; L416-M457 HydrophobicContact CD2-CE 4.4Å; L416-M457 HydrophobicContact CD2-SD 3.77Å
417	T	73.8	Confident	66.4	Low	67 Å²	67	99.2 Å²	99.2	41%	0.411	49%	0.486	S	S	.	.	H	α-helix	trans	-60.7	-44	176.8	-57.4	0	0	0	0	111.5	R413 R414 M420 Q421	R413-T417 WeakPolarHBondContact O-CB 3.36Å; R413-T417 PolarHBondContact O-N 3.05Å; R413-T417 PolarHBondContact O-OG1 3.33Å; R414-T417 PolarHBondContact O-N 2.85Å; T417-M420 PolarHBondContact O-N 3.29Å; T417-Q421 WeakPolarHBondContact O-CG 3.46Å; T417-Q421 PolarHBondContact O-N 3.27Å
418	Q	75	Confident	65.7	Low	129 Å²	129	101 Å²	101	60%	0.603	50%	0.503	S	S	*	.	H	α-helix	trans	-62.7	-45.9	177.3	-168.6	-178.9	39.2	0	0	111.5	R414 M415 L416 M420 Q421 S422	R414-Q418 WeakPolarHBondContact O-CB 3.4Å; R414-Q418 PolarHBondContact O-N 3.37Å; M415-Q418 PolarHBondContact O-N 3.25Å; L416-Q418 PolarHBondContact O-N 2.95Å; Q418-M420 VanDerWaalsContact C-N 3.26Å; Q418-M420 PolarHBondContact O-N 3.18Å; Q418-Q421 PolarHBondContact O-N 2.86Å; Q418-Q421 VanDerWaalsContact O-N 3.16Å; Q418-S422 PolarHBondContact O-N 3.17Å; Q418-S422 PolarHBondContact O-OG 3.24Å; Q418-S422 VanDerWaalsContact O-OG 3.13Å
419	R	72.1	Confident	64.6	Low	180 Å²	180	111.1 Å²	111.1	68%	0.679	54%	0.54	S	S	*	.	H	α-helix	trans	-59.3	-34.7	175.6	-175.6	179.2	-72.8	-177.3	-1.6	112.7	M415 L416 R423	M415-R419 WeakPolarHBondContact O-CB 3.44Å; M415-R419 PolarHBondContact O-N 3.15Å; L416-R419 PolarHBondContact O-N 3.48Å; R419-R423 PolarHBondContact O-N 3.14Å
420	M	66.4	Low	63.4	Low	70 Å²	70	117.9 Å²	117.9	35%	0.345	58%	0.583	S	S	.	*	H	α-helix	trans	-74.1	-41	174.4	-64.6	-57.6	175.1	0	0	112.4	L416 T417 Q418 R423 G424 T453	L416-M420 HydrophobicContact CD1-CE 4.2Å; L416-M420 WeakPolarHBondContact O-CG 3.28Å; L416-M420 PolarHBondContact O-N 3.03Å; T417-M420 PolarHBondContact O-N 3.29Å; Q418-M420 VanDerWaalsContact C-N 3.26Å; Q418-M420 PolarHBondContact O-N 3.18Å; M420-R423 WeakPolarHBondContact O-CB 3.31Å; M420-R423 PolarHBondContact O-N 3.07Å; M420-R423 VanDerWaalsContact O-N 3.16Å; M420-G424 PolarHBondContact O-N 3.05Å; M420-T453 HydrophobicContact CE-CG2 3.99Å
421	Q	65.8	Low	62	Low	136 Å²	136	117.1 Å²	117.1	64%	0.636	59%	0.59	S	S	*	*	H	α-helix	trans	-63.8	-42.8	175.6	-72	177.2	3.2	0	0	111.9	T417 Q418 R423 G424 G425	T417-Q421 WeakPolarHBondContact O-CG 3.46Å; T417-Q421 PolarHBondContact O-N 3.27Å; Q418-Q421 PolarHBondContact O-N 2.86Å; Q418-Q421 VanDerWaalsContact O-N 3.16Å; Q421-R423 PolarHBondContact O-N 3.44Å; Q421-G424 PolarHBondContact O-N 3.37Å; Q421-G425 PolarHBondContact O-N 3.29Å
422	S	61.9	Low	60.8	Low	97 Å²	97	121.8 Å²	121.8	68%	0.678	62%	0.616	S	S	*	*	H	α-helix	trans	-60.9	-24	174.2	-60.6	0	0	0	0	113.5	Q418	Q418-S422 PolarHBondContact O-N 3.17Å; Q418-S422 PolarHBondContact O-OG 3.24Å; Q418-S422 VanDerWaalsContact O-OG 3.13Å
423	R	58	Low	59.5	Low	202 Å²	202	126 Å²	126	76%	0.762	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-12.3	173.1	-82.9	-178.3	159.6	-165.4	-6.5	114.5	R419 M420 Q421	R419-R423 PolarHBondContact O-N 3.14Å; M420-R423 WeakPolarHBondContact O-CB 3.31Å; M420-R423 PolarHBondContact O-N 3.07Å; M420-R423 VanDerWaalsContact O-N 3.16Å; Q421-R423 PolarHBondContact O-N 3.44Å
424	G	54	Low	58.1	Low	50 Å²	50	134.5 Å²	134.5	52%	0.515	67%	0.673	S	S	.	*	T	Hydrogen-bonded Turn	trans	-111.2	-3.1	178.9	0	0	0	0	0	115.4	M420 Q421 D426	M420-G424 PolarHBondContact O-N 3.05Å; Q421-G424 PolarHBondContact O-N 3.37Å; G424-D426 PolarHBondContact O-N 2.93Å
425	G	49	Very low	56.7	Low	57 Å²	57	136.5 Å²	136.5	59%	0.588	68%	0.68	S	S	*	*			trans	-76.5	-3.3	-164	0	0	0	0	0	118.1	Q421 R427	Q421-G425 PolarHBondContact O-N 3.29Å; G425-R427 PolarHBondContact O-N 3.48Å
426	D	46.2	Very low	55.9	Low	132 Å²	132	136.2 Å²	136.2	71%	0.706	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	57.5	-170.8	-163.6	36.7	0	0	0	113.7	G424	G424-D426 PolarHBondContact O-N 2.93Å
427	R	51.6	Low	54.9	Low	230 Å²	230	145.7 Å²	145.7	87%	0.868	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.5	-7.8	-180	-80	-167.8	171.2	-162.8	-2.4	116.1	G425	G425-R427 PolarHBondContact O-N 3.48Å
428	V	47.8	Very low	54.3	Low	135 Å²	135	146.7 Å²	146.7	82%	0.818	72%	0.724	S	S	*	*	S	Bend	trans	-136.8	60.4	-177.7	-161.5	0	0	0	0	113
429	R	43.1	Very low	53.8	Low	236 Å²	236	145.5 Å²	145.5	89%	0.891	73%	0.727	S	S	*	*			trans	-139.7	103.1	152.1	-78.1	-159.1	169.5	-174.7	-3.9	111.1	G431	R429-G431 PolarHBondContact O-N 2.97Å; R429-G431 VanDerWaalsContact O-N 3.13Å
430	T	46.7	Very low	53.4	Low	161 Å²	161	145 Å²	145	99%	0.988	73%	0.726	S	S	*	*			trans	-73.7	95.3	168.7	-49	0	0	0	0	108.3
431	G	40.9	Very low	53.2	Low	65 Å²	65	143.8 Å²	143.8	67%	0.67	73%	0.725	S	S	*	*			trans	-172	96.5	-173.7	0	0	0	0	0	112.9	R429	R429-G431 PolarHBondContact O-N 2.97Å; R429-G431 VanDerWaalsContact O-N 3.13Å
432	L	46.6	Very low	53.3	Low	174 Å²	174	143.9 Å²	143.9	91%	0.911	73%	0.73	S	S	*	*	S	Bend	trans	-0.7	118.8	167.4	-158	63.8	0	0	0	118.9
433	D	46.7	Very low	54.2	Low	145 Å²	145	145.6 Å²	145.6	78%	0.775	73%	0.731	S	S	*	*	S	Bend	trans	59.6	64.5	144.8	-153	21.5	0	0	0	120.6
434	R	45	Very low	55.4	Low	250 Å²	250	139.4 Å²	139.4	94%	0.943	71%	0.711	S	S	*	*			trans	-138.3	36.9	154.6	-85.3	-159.8	173.2	-166.4	-0.8	113.6
435	R	49	Very low	56.8	Low	211 Å²	211	139.6 Å²	139.6	80%	0.796	71%	0.705	S	S	*	*			trans	-81.7	125.4	178.7	-80.5	-167.8	167.6	-172.5	-2.5	112.4
436	S	59.2	Low	58.2	Low	93 Å²	93	141.6 Å²	141.6	65%	0.65	70%	0.699	S	S	*	*			trans	64	91	161.2	-172.6	0	0	0	0	117.8
437	R	53.3	Low	60	Low	239 Å²	239	143.3 Å²	143.3	90%	0.902	70%	0.7	S	S	*	*			trans	-145.8	44.1	139.8	-150.9	157.2	-175.9	165.8	-0.9	114.9	P439	R437-P439 WeakPolarHBondContact O-CD 3.43Å
438	D	61.9	Low	61.5	Low	89 Å²	89	137.1 Å²	137.1	48%	0.476	68%	0.681	S	S	.	*			trans	-80	112.3	146	170.2	14	0	0	0	106.9	Y440 S441	D438-Y440 PolarHBondContact O-N 3.05Å; D438-Y440 VanDerWaalsContact O-N 3.11Å; D438-Y440 WeakPolarHBondContact OD1-CB 3.42Å; D438-Y440 PolarHBondContact OD1-N 3.45Å; D438-S441 WeakPolarHBondContact O-CB 3.47Å; D438-S441 PolarHBondContact O-N 3.4Å; D438-S441 VanDerWaalsContact O-N 3.09Å; D438-S441 PolarHBondContact O-OG 3.06Å; D438-S441 PolarHBondContact OD2-N 2.88Å
439	P	63.6	Low	63.1	Low	104 Å²	104	134.9 Å²	134.9	68%	0.675	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-16.4	179.8	-20.6	34	0	0	0	113.7	R437	R437-P439 WeakPolarHBondContact O-CD 3.43Å
440	Y	64.1	Low	64.9	Low	168 Å²	168	128.7 Å²	128.7	66%	0.659	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	1.1	-178.8	-52.9	-61.1	0	0	0	112.6	D438 N442 L443	D438-Y440 PolarHBondContact O-N 3.05Å; D438-Y440 VanDerWaalsContact O-N 3.11Å; D438-Y440 WeakPolarHBondContact OD1-CB 3.42Å; D438-Y440 PolarHBondContact OD1-N 3.45Å; Y440-N442 PolarHBondContact O-N 3.3Å; Y440-L443 HydrophobicContact CD1-CD1 3.71Å; Y440-L443 HydrophobicContact CG-CD1 4.31Å; Y440-L443 WeakPolarHBondContact O-CB 3.45Å; Y440-L443 PolarHBondContact O-N 2.82Å; Y440-L443 VanDerWaalsContact O-N 3.13Å
441	S	62.1	Low	66.7	Low	45 Å²	45	128.9 Å²	128.9	32%	0.315	62%	0.624	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62	131.8	172.8	62.1	0	0	0	0	110.5	D438	D438-S441 WeakPolarHBondContact O-CB 3.47Å; D438-S441 PolarHBondContact O-N 3.4Å; D438-S441 VanDerWaalsContact O-N 3.09Å; D438-S441 PolarHBondContact O-OG 3.06Å; D438-S441 PolarHBondContact OD2-N 2.88Å
442	N	68.8	Low	68.7	Low	138 Å²	138	128 Å²	128	74%	0.738	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	71.4	9.7	-172.4	-44.1	-64.6	0	0	0	117.2	Y440 M444	Y440-N442 PolarHBondContact O-N 3.3Å; N442-M444 PolarHBondContact O-N 3.46Å; N442-M444 VanDerWaalsContact O-N 3.14Å
443	L	81.2	Confident	70.3	Confident	134 Å²	134	121.7 Å²	121.7	70%	0.702	57%	0.574	S	S	*	*	S	Bend	trans	-59.6	-20.1	165.8	-94.1	-178.6	0	0	0	113.6	Y440	Y440-L443 HydrophobicContact CD1-CD1 3.71Å; Y440-L443 HydrophobicContact CG-CD1 4.31Å; Y440-L443 WeakPolarHBondContact O-CB 3.45Å; Y440-L443 PolarHBondContact O-N 2.82Å; Y440-L443 VanDerWaalsContact O-N 3.13Å
444	M	81.8	Confident	71.9	Confident	72 Å²	72	122 Å²	122	36%	0.355	57%	0.568	S	S	.	*	S	Bend	trans	-135.6	131.8	167.3	-65	172.4	69.1	0	0	108.6	N442 E448 K449 V452	N442-M444 PolarHBondContact O-N 3.46Å; N442-M444 VanDerWaalsContact O-N 3.14Å; M444-E448 HydrophobicContact CB-CB 4.16Å; M444-E448 HydrophobicContact CE-CB 4.08Å; M444-E448 WeakPolarHBondContact CE-O 3.41Å; M444-K449 HydrophobicContact CB-CG 3.97Å; M444-K449 HydrophobicContact CE-CG 4.33Å; M444-K449 WeakPolarHBondContact O-CE 3.49Å; M444-K449 PolarHBondContact O-NZ 3.48Å; M444-V452 HydrophobicContact CE-CB 3.96Å; M444-V452 HydrophobicContact CE-CG2 3.48Å; M444-V452 VanDerWaalsContact CE-CG2 3.48Å
445	S	83.6	Confident	73.7	Confident	53 Å²	53	112.4 Å²	112.4	37%	0.371	54%	0.536	S	S	.	.			trans	-64.4	165.5	167.8	72.1	0	0	0	0	111.1	K447 E448 K449	S445-K447 PolarHBondContact O-N 3.05Å; S445-E448 WeakPolarHBondContact CA-OE2 3.37Å; S445-E448 WeakPolarHBondContact CB-OE2 3.3Å; S445-E448 PolarHBondContact N-OE2 3.12Å; S445-E448 PolarHBondContact O-N 2.94Å; S445-E448 PolarHBondContact OG-N 2.67Å; S445-E448 PolarHBondContact OG-OE2 3.02Å; S445-K449 WeakPolarHBondContact O-CG 3.18Å; S445-K449 PolarHBondContact O-N 3.05Å
446	Q	78.8	Confident	75.1	Confident	100 Å²	100	107 Å²	107	47%	0.467	52%	0.52	S	S	.	.	H	α-helix	trans	-59.6	-35.4	176.5	-176.5	56.9	23.6	0	0	112.4	K449 E450	Q446-K449 PolarHBondContact O-N 3.09Å; Q446-E450 VanDerWaalsContact CG-OE1 3.3Å; Q446-E450 WeakPolarHBondContact CG-OE1 3.39Å; Q446-E450 PolarHBondContact NE2-OE1 2.54Å; Q446-E450 WeakPolarHBondContact O-CB 3.18Å; Q446-E450 WeakPolarHBondContact O-CG 3.37Å; Q446-E450 PolarHBondContact O-N 3.14Å
447	K	83.6	Confident	75.8	Confident	168 Å²	168	105 Å²	105	73%	0.73	50%	0.5	S	S	*	.	H	α-helix	trans	-67.5	-38.7	176.6	-66.2	-176.7	177.9	-178.5	0	112.5	S445 E450 W451	S445-K447 PolarHBondContact O-N 3.05Å; K447-E450 PolarHBondContact O-N 3.07Å; K447-W451 VanDerWaalsContact O-CB 3.27Å; K447-W451 WeakPolarHBondContact O-CB 3.23Å; K447-W451 PolarHBondContact O-N 3.01Å
448	E	84.1	Confident	76.9	Confident	100 Å²	100	98.6 Å²	98.6	47%	0.467	48%	0.482	S	S	.	.	H	α-helix	trans	-70.6	-35.4	176.4	-71.2	154.8	130	0	0	111.5	M444 S445 W451 V452	M444-E448 HydrophobicContact CB-CB 4.16Å; M444-E448 HydrophobicContact CE-CB 4.08Å; M444-E448 WeakPolarHBondContact CE-O 3.41Å; S445-E448 WeakPolarHBondContact CA-OE2 3.37Å; S445-E448 WeakPolarHBondContact CB-OE2 3.3Å; S445-E448 PolarHBondContact N-OE2 3.12Å; S445-E448 PolarHBondContact O-N 2.94Å; S445-E448 PolarHBondContact OG-N 2.67Å; S445-E448 PolarHBondContact OG-OE2 3.02Å; E448-W451 PolarHBondContact O-N 3.5Å; E448-V452 WeakPolarHBondContact O-CG2 3.49Å; E448-V452 PolarHBondContact O-N 3.35Å
449	K	82.1	Confident	77.5	Confident	88 Å²	88	101.4 Å²	101.4	38%	0.383	49%	0.492	S	S	.	.	H	α-helix	trans	-63.1	-45.2	171.2	-68.5	167.7	-176.5	164.6	0	111.4	M444 S445 Q446 W451 T453	M444-K449 HydrophobicContact CB-CG 3.97Å; M444-K449 HydrophobicContact CE-CG 4.33Å; M444-K449 WeakPolarHBondContact O-CE 3.49Å; M444-K449 PolarHBondContact O-NZ 3.48Å; S445-K449 WeakPolarHBondContact O-CG 3.18Å; S445-K449 PolarHBondContact O-N 3.05Å; Q446-K449 PolarHBondContact O-N 3.09Å; K449-W451 VanDerWaalsContact C-N 3.34Å; K449-T453 WeakPolarHBondContact O-CB 3.33Å; K449-T453 PolarHBondContact O-N 3.08Å; K449-T453 PolarHBondContact O-OG1 2.97Å
450	E	80.4	Confident	77.9	Confident	106 Å²	106	100.2 Å²	100.2	50%	0.495	48%	0.48	S	S	.	.	H	α-helix	trans	-64.2	-38.1	175.8	-74.6	160.4	-172.6	0	0	112.1	Q446 K447 K454	Q446-E450 VanDerWaalsContact CG-OE1 3.3Å; Q446-E450 WeakPolarHBondContact CG-OE1 3.39Å; Q446-E450 PolarHBondContact NE2-OE1 2.54Å; Q446-E450 WeakPolarHBondContact O-CB 3.18Å; Q446-E450 WeakPolarHBondContact O-CG 3.37Å; Q446-E450 PolarHBondContact O-N 3.14Å; K447-E450 PolarHBondContact O-N 3.07Å; E450-K454 WeakPolarHBondContact O-CB 3.41Å; E450-K454 PolarHBondContact O-N 3.29Å
451	W	83.1	Confident	78.1	Confident	165 Å²	165	96.6 Å²	96.6	63%	0.625	47%	0.469	S	S	*	.	H	α-helix	trans	-67.7	-46	176	179.6	81.4	0	0	0	112.8	K447 E448 K449 K454 I455	K447-W451 VanDerWaalsContact O-CB 3.27Å; K447-W451 WeakPolarHBondContact O-CB 3.23Å; K447-W451 PolarHBondContact O-N 3.01Å; E448-W451 PolarHBondContact O-N 3.5Å; K449-W451 VanDerWaalsContact C-N 3.34Å; W451-K454 PolarHBondContact O-N 3.46Å; W451-I455 HydrophobicContact CD2-CD1 3.84Å; W451-I455 HydrophobicContact CE3-CD1 4.01Å; W451-I455 HydrophobicContact CH2-CD1 3.6Å; W451-I455 HydrophobicContact CZ2-CD1 3.41Å; W451-I455 VanDerWaalsContact CZ2-CD1 3.41Å; W451-I455 HydrophobicContact CZ3-CD1 3.89Å; W451-I455 PolarHBondContact O-N 3.38Å
452	V	84.8	Confident	78.3	Confident	46 Å²	46	95.8 Å²	95.8	28%	0.279	46%	0.463	S	S	.	.	H	α-helix	trans	-64.4	-42.1	174	170.7	0	0	0	0	111.1	M444 E448 K454 I455 Q456	M444-V452 HydrophobicContact CE-CB 3.96Å; M444-V452 HydrophobicContact CE-CG2 3.48Å; M444-V452 VanDerWaalsContact CE-CG2 3.48Å; E448-V452 WeakPolarHBondContact O-CG2 3.49Å; E448-V452 PolarHBondContact O-N 3.35Å; V452-K454 VanDerWaalsContact C-N 3.3Å; V452-K454 PolarHBondContact O-N 3.38Å; V452-I455 PolarHBondContact O-N 3.16Å; V452-Q456 HydrophobicContact CG1-CG 4.39Å; V452-Q456 WeakPolarHBondContact O-CG 3.39Å; V452-Q456 PolarHBondContact O-N 3.43Å
453	T	78.6	Confident	78.1	Confident	42 Å²	42	96.1 Å²	96.1	26%	0.258	47%	0.47	S	S	.	.	H	α-helix	trans	-58.8	-42.1	172.5	-62.5	0	0	0	0	111	M420 K449 I455 Q456 M457	M420-T453 HydrophobicContact CE-CG2 3.99Å; K449-T453 WeakPolarHBondContact O-CB 3.33Å; K449-T453 PolarHBondContact O-N 3.08Å; K449-T453 PolarHBondContact O-OG1 2.97Å; T453-I455 PolarHBondContact O-N 3.09Å; T453-Q456 PolarHBondContact O-N 3.33Å; T453-M457 HydrophobicContact CG2-CG 4.2Å; T453-M457 WeakPolarHBondContact O-CB 3.23Å; T453-M457 WeakPolarHBondContact O-CG 3.39Å; T453-M457 PolarHBondContact O-N 3.22Å
454	K	81.2	Confident	77.5	Confident	150 Å²	150	92.2 Å²	92.2	65%	0.652	45%	0.45	S	S	*	.	H	α-helix	trans	-64.1	-38	176.4	-172.7	176.7	180	-178.9	0	112.3	E450 W451 V452 M458	E450-K454 WeakPolarHBondContact O-CB 3.41Å; E450-K454 PolarHBondContact O-N 3.29Å; W451-K454 PolarHBondContact O-N 3.46Å; V452-K454 VanDerWaalsContact C-N 3.3Å; V452-K454 PolarHBondContact O-N 3.38Å; K454-M458 VanDerWaalsContact O-CB 3.28Å; K454-M458 WeakPolarHBondContact O-CB 3.47Å; K454-M458 PolarHBondContact O-N 3.3Å; K454-M458 VanDerWaalsContact O-N 3.09Å
455	I	81.8	Confident	76.9	Confident	50 Å²	50	89.2 Å²	89.2	26%	0.256	44%	0.436	S	S	.	.	H	α-helix	trans	-65.5	-46.2	174.1	-73.1	172.2	0	0	0	110.7	W451 V452 T453 M457 M458 Q459	W451-I455 HydrophobicContact CD2-CD1 3.84Å; W451-I455 HydrophobicContact CE3-CD1 4.01Å; W451-I455 HydrophobicContact CH2-CD1 3.6Å; W451-I455 HydrophobicContact CZ2-CD1 3.41Å; W451-I455 VanDerWaalsContact CZ2-CD1 3.41Å; W451-I455 HydrophobicContact CZ3-CD1 3.89Å; W451-I455 PolarHBondContact O-N 3.38Å; V452-I455 PolarHBondContact O-N 3.16Å; T453-I455 PolarHBondContact O-N 3.09Å; I455-M457 PolarHBondContact O-N 3.25Å; I455-M458 CarbonylContact O-C 3.54Å; I455-M458 WeakPolarHBondContact O-CA 3.41Å; I455-M458 WeakPolarHBondContact O-CB 3.28Å; I455-M458 PolarHBondContact O-N 3.01Å; I455-Q459 HydrophobicContact CG2-CG 4.36Å; I455-Q459 WeakPolarHBondContact O-CG 3.45Å; I455-Q459 PolarHBondContact O-N 3.08Å
456	Q	78.4	Confident	76.1	Confident	98 Å²	98	90.6 Å²	90.6	46%	0.458	43%	0.434	S	S	.	.	H	α-helix	trans	-61.5	-44	177.8	-71.4	174.1	-22.8	0	0	111.6	V452 T453 M458 Q459 L460	V452-Q456 HydrophobicContact CG1-CG 4.39Å; V452-Q456 WeakPolarHBondContact O-CG 3.39Å; V452-Q456 PolarHBondContact O-N 3.43Å; T453-Q456 PolarHBondContact O-N 3.33Å; Q456-M458 PolarHBondContact O-N 3.29Å; Q456-Q459 PolarHBondContact O-N 3.24Å; Q456-L460 WeakPolarHBondContact O-CG 3.47Å; Q456-L460 PolarHBondContact O-N 2.81Å
457	M	74.8	Confident	75.8	Confident	49 Å²	49	92.1 Å²	92.1	24%	0.241	45%	0.445	C	S	.	.	H	α-helix	trans	-68.8	-7.2	173.1	-64.3	-68.3	-69.4	0	0	114	T406 L416 T453 I455 L460 Q461	T406-M457 HydrophobicContact CG2-CE 3.52Å; T406-M457 HydrophobicContact CG2-SD 4.12Å; T406-M457 VanDerWaalsContact OG1-CE 3.3Å; T406-M457 WeakPolarHBondContact OG1-CE 3.48Å; L416-M457 HydrophobicContact CD2-CE 4.4Å; L416-M457 HydrophobicContact CD2-SD 3.77Å; T453-M457 HydrophobicContact CG2-CG 4.2Å; T453-M457 WeakPolarHBondContact O-CB 3.23Å; T453-M457 WeakPolarHBondContact O-CG 3.39Å; T453-M457 PolarHBondContact O-N 3.22Å; I455-M457 PolarHBondContact O-N 3.25Å; M457-L460 HydrophobicContact SD-CD1 4.46Å; M457-Q461 PolarHBondContact O-NE2 3.14Å
458	M	76.1	Confident	75.4	Confident	105 Å²	105	89.1 Å²	89.1	52%	0.517	44%	0.437	S	S	.	.	H	α-helix	trans	-104.9	-20	173.2	-170	173	73	0	0	112.5	K454 I455 Q456	K454-M458 VanDerWaalsContact O-CB 3.28Å; K454-M458 WeakPolarHBondContact O-CB 3.47Å; K454-M458 PolarHBondContact O-N 3.3Å; K454-M458 VanDerWaalsContact O-N 3.09Å; I455-M458 CarbonylContact O-C 3.54Å; I455-M458 WeakPolarHBondContact O-CA 3.41Å; I455-M458 WeakPolarHBondContact O-CB 3.28Å; I455-M458 PolarHBondContact O-N 3.01Å; Q456-M458 PolarHBondContact O-N 3.29Å
459	Q	74.9	Confident	75.1	Confident	148 Å²	148	87.7 Å²	87.7	69%	0.692	43%	0.432	S	S	*	.	H	α-helix	trans	-78.5	-24	166	-69.8	172.2	-48.5	0	0	111.7	I455 Q456 Q461	I455-Q459 HydrophobicContact CG2-CG 4.36Å; I455-Q459 WeakPolarHBondContact O-CG 3.45Å; I455-Q459 PolarHBondContact O-N 3.08Å; Q456-Q459 PolarHBondContact O-N 3.24Å; Q459-Q461 PolarHBondContact O-N 2.65Å
460	L	71.8	Confident	75	Confident	80 Å²	80	88.5 Å²	88.5	42%	0.419	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	21.6	169.8	-64.8	166.3	0	0	0	113.1	T406 Q456 M457	T406-L460 HydrophobicContact CG2-CB 4.04Å; Q456-L460 WeakPolarHBondContact O-CG 3.47Å; Q456-L460 PolarHBondContact O-N 2.81Å; M457-L460 HydrophobicContact SD-CD1 4.46Å
461	Q	68.8	Low	75.1	Confident	92 Å²	92	92.4 Å²	92.4	43%	0.43	45%	0.445	S	S	.	.			trans	-97	95.7	170.6	-75.4	170.6	30	0	0	109.1	T405 M457 Q459	T405-Q461 VanDerWaalsContact O-CG 3.23Å; T405-Q461 WeakPolarHBondContact O-CG 3.47Å; M457-Q461 PolarHBondContact O-NE2 3.14Å; Q459-Q461 PolarHBondContact O-N 2.65Å
462	S	66.7	Low	75	Confident	28 Å²	28	87.2 Å²	87.2	20%	0.196	43%	0.426	C	S	.	.			trans	-79.1	151.9	163.2	164.9	0	0	0	0	110.6	D464 P465 D468	S462-D464 PolarHBondContact OG-N 3.12Å; S462-D464 PolarHBondContact OG-O 2.78Å; S462-D464 VanDerWaalsContact OG-O 3.05Å; S462-P465 WeakPolarHBondContact OG-CA 3.37Å; S462-P465 VanDerWaalsContact OG-N 3.07Å; S462-D468 VanDerWaalsContact CB-OD2 3.3Å; S462-D468 WeakPolarHBondContact CB-OD2 3.39Å; S462-D468 WeakPolarHBondContact OG-CB 3.33Å; S462-D468 PolarHBondContact OG-OD2 2.96Å
463	T	64.6	Low	74.8	Confident	144 Å²	144	86.9 Å²	86.9	88%	0.883	42%	0.421	S	S	*	.	S	Bend	trans	-87.9	-24.1	168.5	40.7	0	0	0	0	113.3	D468	T463-D468 PolarHBondContact N-OD2 3.49Å
464	D	67.2	Low	74.9	Confident	52 Å²	52	87.7 Å²	87.7	28%	0.278	42%	0.424	S	S	.	.	S	Bend	trans	-141.9	95.3	167.3	-176	-10.5	0	0	0	109.3	S462 Y466 L467 D468	S462-D464 PolarHBondContact OG-N 3.12Å; S462-D464 PolarHBondContact OG-O 2.78Å; S462-D464 VanDerWaalsContact OG-O 3.05Å; D464-Y466 PolarHBondContact O-N 2.85Å; D464-Y466 VanDerWaalsContact O-N 3.12Å; D464-Y466 WeakPolarHBondContact OD1-CB 3.42Å; D464-Y466 PolarHBondContact OD1-N 3.24Å; D464-L467 HydrophobicContact CB-CB 4.35Å; D464-L467 PolarHBondContact O-N 3.25Å; D464-D468 PolarHBondContact O-N 3.1Å
465	P	69.8	Low	75	Confident	10 Å²	10	87.2 Å²	87.2	7%	0.065	42%	0.419	C	S	.	.	H	α-helix	trans	-62.5	-19	-176.2	-24.9	34.7	0	0	0	114.3	H407 S462 D469	H407-P465 HydrophobicContact CB-CB 4.09Å; H407-P465 HydrophobicContact CB-CG 3.79Å; S462-P465 WeakPolarHBondContact OG-CA 3.37Å; S462-P465 VanDerWaalsContact OG-N 3.07Å; P465-D469 CarbonylContact O-C 3.59Å; P465-D469 WeakPolarHBondContact O-CB 3.25Å; P465-D469 PolarHBondContact O-N 3.3Å
466	Y	66.8	Low	74.8	Confident	82 Å²	82	86.2 Å²	86.2	32%	0.322	41%	0.412	S	S	.	.	H	α-helix	trans	-78.3	-24.7	178.1	-60.5	-89.1	0	0	0	111.8	D464 Y470 Q473	D464-Y466 PolarHBondContact O-N 2.85Å; D464-Y466 VanDerWaalsContact O-N 3.12Å; D464-Y466 WeakPolarHBondContact OD1-CB 3.42Å; D464-Y466 PolarHBondContact OD1-N 3.24Å; Y466-Y470 WeakPolarHBondContact O-CA 3.22Å; Y466-Y470 WeakPolarHBondContact O-CB 3.5Å; Y466-Q473 HydrophobicContact CD1-CG 3.61Å; Y466-Q473 HydrophobicContact CE1-CG 3.73Å
467	L	72.6	Confident	74.9	Confident	132 Å²	132	84.9 Å²	84.9	69%	0.691	41%	0.406	S	S	*	.	H	α-helix	trans	-93.7	-54	173.1	-87.5	169.7	0	0	0	112.6	D464 D469	D464-L467 HydrophobicContact CB-CB 4.35Å; D464-L467 PolarHBondContact O-N 3.25Å; L467-D469 PolarHBondContact O-N 3.45Å
468	D	74.4	Confident	75.3	Confident	105 Å²	105	86.7 Å²	86.7	56%	0.561	41%	0.412	S	S	*	.	H	α-helix	trans	-68.1	-36.2	-173.7	-68.8	-40	0	0	0	112.4	S462 T463 D464	S462-D468 VanDerWaalsContact CB-OD2 3.3Å; S462-D468 WeakPolarHBondContact CB-OD2 3.39Å; S462-D468 WeakPolarHBondContact OG-CB 3.33Å; S462-D468 PolarHBondContact OG-OD2 2.96Å; T463-D468 PolarHBondContact N-OD2 3.49Å; D464-D468 PolarHBondContact O-N 3.1Å
469	D	78.9	Confident	75.4	Confident	69 Å²	69	85.8 Å²	85.8	37%	0.369	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	26.3	-176.2	-85.8	-43.5	0	0	0	112.1	P465 L467 Y471 Y472 Q473	P465-D469 CarbonylContact O-C 3.59Å; P465-D469 WeakPolarHBondContact O-CB 3.25Å; P465-D469 PolarHBondContact O-N 3.3Å; L467-D469 PolarHBondContact O-N 3.45Å; D469-Y471 VanDerWaalsContact C-N 3.33Å; D469-Y471 PolarHBondContact O-N 3.3Å; D469-Y472 WeakPolarHBondContact O-CA 3.39Å; D469-Y472 WeakPolarHBondContact O-CB 3.43Å; D469-Y472 PolarHBondContact O-N 2.93Å; D469-Q473 PolarHBondContact O-N 3.1Å; D469-Q473 VanDerWaalsContact O-N 3.1Å
470	Y	78.9	Confident	75.6	Confident	106 Å²	106	83 Å²	83	42%	0.416	40%	0.395	S	S	.	.	H	α-helix	trans	-37.5	-53.2	-174.8	174.6	-93.6	0	0	0	114.8	Y466 Y472 Q473 N474	Y466-Y470 WeakPolarHBondContact O-CA 3.22Å; Y466-Y470 WeakPolarHBondContact O-CB 3.5Å; Y470-Y472 PolarHBondContact O-N 2.89Å; Y470-Q473 PolarHBondContact O-N 3.1Å; Y470-N474 VanDerWaalsContact CD2-ND2 3.26Å; Y470-N474 WeakPolarHBondContact CD2-ND2 3.15Å; Y470-N474 WeakPolarHBondContact CE2-ND2 3.26Å; Y470-N474 PolarHBondContact O-N 3.44Å; Y470-N474 PolarHBondContact O-ND2 3.07Å
471	Y	82.5	Confident	76	Confident	188 Å²	188	84.5 Å²	84.5	74%	0.737	40%	0.398	S	S	*	.	H	α-helix	trans	-65.6	-36.4	-177.8	-68.2	-79.9	0	0	0	113.3	D469 Y475	D469-Y471 VanDerWaalsContact C-N 3.33Å; D469-Y471 PolarHBondContact O-N 3.3Å; Y471-Y475 WeakPolarHBondContact O-CB 3.34Å; Y471-Y475 PolarHBondContact O-N 3.26Å
472	Y	81.9	Confident	76.3	Confident	56 Å²	56	85.5 Å²	85.5	22%	0.22	40%	0.398	C	S	.	.	H	α-helix	trans	-67.3	-43.3	176.2	172.8	-82.4	0	0	0	110.2	L408 H409 H412 D469 Y470 Y475 Y476	L408-Y472 HydrophobicContact CD2-CE1 4.41Å; H409-Y472 PolarHBondContact N-OH 2.94Å; H412-Y472 WeakPolarHBondContact CB-OH 3.47Å; H412-Y472 AromaticContact ND1-CE2 3.55Å; H412-Y472 AromaticContact ND1-CZ 3.61Å; H412-Y472 PolarHBondContact ND1-OH 3.3Å; D469-Y472 WeakPolarHBondContact O-CA 3.39Å; D469-Y472 WeakPolarHBondContact O-CB 3.43Å; D469-Y472 PolarHBondContact O-N 2.93Å; Y470-Y472 PolarHBondContact O-N 2.89Å; Y472-Y475 PolarHBondContact O-N 3.19Å; Y472-Y476 HydrophobicContact CD1-CD2 4.23Å; Y472-Y476 HydrophobicContact CD2-CD2 4.35Å; Y472-Y476 HydrophobicContact CD2-CE2 4.07Å; Y472-Y476 AromaticContact CE1-CD2 3.84Å; Y472-Y476 HydrophobicContact CE1-CD2 3.84Å; Y472-Y476 HydrophobicContact CE1-CE2 4.1Å; Y472-Y476 HydrophobicContact CE2-CD2 4.01Å; Y472-Y476 AromaticContact CE2-CE2 3.48Å; Y472-Y476 HydrophobicContact CE2-CE2 3.48Å; Y472-Y476 VanDerWaalsContact CE2-CE2 3.48Å; Y472-Y476 HydrophobicContact CG-CD2 4.44Å; Y472-Y476 AromaticContact CZ-CD2 3.72Å; Y472-Y476 AromaticContact CZ-CE2 3.47Å; Y472-Y476 VanDerWaalsContact CZ-CE2 3.47Å; Y472-Y476 WeakPolarHBondContact O-CD2 3.3Å; Y472-Y476 PolarHBondContact O-N 3.31Å
473	Q	80.1	Confident	76.6	Confident	39 Å²	39	87.6 Å²	87.6	18%	0.182	40%	0.404	C	S	.	.	H	α-helix	trans	-67.9	-48.3	-178.4	-171.8	56.6	31.4	0	0	111.6	Y466 D469 Y470 Y475 Y476 E477	Y466-Q473 HydrophobicContact CD1-CG 3.61Å; Y466-Q473 HydrophobicContact CE1-CG 3.73Å; D469-Q473 PolarHBondContact O-N 3.1Å; D469-Q473 VanDerWaalsContact O-N 3.1Å; Y470-Q473 PolarHBondContact O-N 3.1Å; Q473-Y475 VanDerWaalsContact C-N 3.33Å; Q473-Y475 PolarHBondContact O-N 3.29Å; Q473-Y476 PolarHBondContact O-N 2.98Å; Q473-E477 PolarHBondContact O-N 3.41Å
474	N	81.1	Confident	76.9	Confident	59 Å²	59	86 Å²	86	32%	0.316	39%	0.387	S	S	.	.	H	α-helix	trans	-64.3	-34.3	176.3	-75.7	-92.4	0	0	0	112.6	Y470 E477 K478	Y470-N474 VanDerWaalsContact CD2-ND2 3.26Å; Y470-N474 WeakPolarHBondContact CD2-ND2 3.15Å; Y470-N474 WeakPolarHBondContact CE2-ND2 3.26Å; Y470-N474 PolarHBondContact O-N 3.44Å; Y470-N474 PolarHBondContact O-ND2 3.07Å; N474-E477 PolarHBondContact O-N 3.28Å; N474-K478 WeakPolarHBondContact O-CB 3.47Å; N474-K478 PolarHBondContact O-N 3.14Å
475	Y	82.5	Confident	77	Confident	140 Å²	140	91.1 Å²	91.1	55%	0.549	41%	0.407	S	S	.	.	H	α-helix	trans	-60.6	-47.2	173.5	170.9	-90.5	0	0	0	111.6	Y471 Y472 Q473 E477 K478 M479	Y471-Y475 WeakPolarHBondContact O-CB 3.34Å; Y471-Y475 PolarHBondContact O-N 3.26Å; Y472-Y475 PolarHBondContact O-N 3.19Å; Q473-Y475 VanDerWaalsContact C-N 3.33Å; Q473-Y475 PolarHBondContact O-N 3.29Å; Y475-E477 VanDerWaalsContact C-N 3.34Å; Y475-K478 PolarHBondContact O-N 2.97Å; Y475-M479 HydrophobicContact CD1-CG 4.36Å; Y475-M479 HydrophobicContact CE1-CG 3.9Å; Y475-M479 HydrophobicContact CE2-CG 4.31Å; Y475-M479 WeakPolarHBondContact O-CB 3.33Å; Y475-M479 VanDerWaalsContact O-CG 3.28Å; Y475-M479 WeakPolarHBondContact O-CG 3.46Å; Y475-M479 PolarHBondContact O-N 3.06Å
476	Y	79	Confident	76.7	Confident	29 Å²	29	96.6 Å²	96.6	11%	0.114	43%	0.431	C	S	.	.	H	α-helix	trans	-68.7	-33.7	177.1	-84.7	-77.9	0	0	0	112.3	H409 Y472 Q473 M479 E480	H409-Y476 HydrophobicContact CB-CD1 3.74Å; H409-Y476 HydrophobicContact CB-CD2 4.09Å; H409-Y476 HydrophobicContact CB-CE1 3.94Å; H409-Y476 HydrophobicContact CB-CE2 4.31Å; H409-Y476 HydrophobicContact CB-CG 3.82Å; H409-Y476 AromaticContact CD2-CD1 3.51Å; H409-Y476 AromaticContact CD2-CG 3.79Å; H409-Y476 AromaticContact CG-CD1 3.25Å; H409-Y476 AromaticContact CG-CE1 3.67Å; H409-Y476 AromaticContact CG-CG 3.71Å; H409-Y476 AromaticContact ND1-CD1 3.5Å; H409-Y476 AromaticContact ND1-CE1 3.59Å; Y472-Y476 HydrophobicContact CD1-CD2 4.23Å; Y472-Y476 HydrophobicContact CD2-CD2 4.35Å; Y472-Y476 HydrophobicContact CD2-CE2 4.07Å; Y472-Y476 AromaticContact CE1-CD2 3.84Å; Y472-Y476 HydrophobicContact CE1-CD2 3.84Å; Y472-Y476 HydrophobicContact CE1-CE2 4.1Å; Y472-Y476 HydrophobicContact CE2-CD2 4.01Å; Y472-Y476 AromaticContact CE2-CE2 3.48Å; Y472-Y476 HydrophobicContact CE2-CE2 3.48Å; Y472-Y476 VanDerWaalsContact CE2-CE2 3.48Å; Y472-Y476 HydrophobicContact CG-CD2 4.44Å; Y472-Y476 AromaticContact CZ-CD2 3.72Å; Y472-Y476 AromaticContact CZ-CE2 3.47Å; Y472-Y476 VanDerWaalsContact CZ-CE2 3.47Å; Y472-Y476 WeakPolarHBondContact O-CD2 3.3Å; Y472-Y476 PolarHBondContact O-N 3.31Å; Q473-Y476 PolarHBondContact O-N 2.98Å; Y476-M479 PolarHBondContact O-N 3.11Å; Y476-E480 WeakPolarHBondContact O-CG 3.39Å; Y476-E480 PolarHBondContact O-N 2.92Å
477	E	80.1	Confident	76.4	Confident	69 Å²	69	100.1 Å²	100.1	32%	0.322	44%	0.444	S	S	.	.	H	α-helix	trans	-66	-43.2	173.9	-163.2	-175	134.2	0	0	112.5	Q473 N474 Y475 M479 E480 K481	Q473-E477 PolarHBondContact O-N 3.41Å; N474-E477 PolarHBondContact O-N 3.28Å; Y475-E477 VanDerWaalsContact C-N 3.34Å; E477-M479 VanDerWaalsContact C-N 3.31Å; E477-M479 PolarHBondContact O-N 3.46Å; E477-E480 PolarHBondContact O-N 3.12Å; E477-K481 HydrophobicContact CG-CD 4.29Å; E477-K481 WeakPolarHBondContact O-CB 3.37Å; E477-K481 WeakPolarHBondContact O-CG 3.38Å; E477-K481 PolarHBondContact O-N 3.49Å; E477-K481 WeakPolarHBondContact OE1-CE 3.34Å; E477-K481 IonicContact OE1-NZ 3.44Å; E477-K481 PolarHBondContact OE1-NZ 2.99Å
478	K	83.3	Confident	75.6	Confident	87 Å²	87	100.9 Å²	100.9	38%	0.378	45%	0.449	S	S	.	.	H	α-helix	trans	-65.8	-34.5	173.9	-165.5	169.9	-172	174.1	0	111.4	E26 N474 Y475 R482	E26-K478 IonicContact OE1-NZ 3.99Å; E26-K478 PolarHBondContact OE1-NZ 3.31Å; E26-K478 IonicContact OE2-NZ 2.87Å; E26-K478 PolarHBondContact OE2-NZ 3.49Å; N474-K478 WeakPolarHBondContact O-CB 3.47Å; N474-K478 PolarHBondContact O-N 3.14Å; Y475-K478 PolarHBondContact O-N 2.97Å; K478-R482 VanDerWaalsContact O-CB 3.31Å; K478-R482 WeakPolarHBondContact O-CB 3.4Å; K478-R482 WeakPolarHBondContact O-CG 3.38Å; K478-R482 PolarHBondContact O-N 3.49Å
479	M	77.4	Confident	74.7	Confident	87 Å²	87	99.3 Å²	99.3	43%	0.429	45%	0.446	S	S	.	.	H	α-helix	trans	-67.3	-37.7	172.2	-75.4	-65	-55.6	0	0	113.2	Y475 Y476 E477 Q483	Y475-M479 HydrophobicContact CD1-CG 4.36Å; Y475-M479 HydrophobicContact CE1-CG 3.9Å; Y475-M479 HydrophobicContact CE2-CG 4.31Å; Y475-M479 WeakPolarHBondContact O-CB 3.33Å; Y475-M479 VanDerWaalsContact O-CG 3.28Å; Y475-M479 WeakPolarHBondContact O-CG 3.46Å; Y475-M479 PolarHBondContact O-N 3.06Å; Y476-M479 PolarHBondContact O-N 3.11Å; E477-M479 VanDerWaalsContact C-N 3.31Å; E477-M479 PolarHBondContact O-N 3.46Å; M479-Q483 WeakPolarHBondContact O-CB 3.34Å; M479-Q483 PolarHBondContact O-N 2.92Å
480	E	79.3	Confident	73.1	Confident	88 Å²	88	101.1 Å²	101.1	41%	0.411	46%	0.464	S	S	.	.	H	α-helix	trans	-71.9	-44.7	175.9	-74.6	-177.3	148.6	0	0	111.2	H409 Y476 E477 R482 Q483 E484	H409-E480 IonicContact CD2-OE1 2.7Å; H409-E480 IonicContact CE1-OE1 3.55Å; H409-E480 WeakPolarHBondContact NE2-CG 3.48Å; H409-E480 CovalentContact NE2-OE1 1.73Å; H409-E480 IonicContact NE2-OE1 3.72Å; H409-E480 PolarHBondContact NE2-OE1 3.29Å; H409-E480 IonicContact NE2-OE2 3.76Å; H409-E480 PolarHBondContact NE2-OE2 2.94Å; Y476-E480 WeakPolarHBondContact O-CG 3.39Å; Y476-E480 PolarHBondContact O-N 2.92Å; E477-E480 PolarHBondContact O-N 3.12Å; E480-R482 PolarHBondContact O-N 3.39Å; E480-Q483 CarbonylContact O-C 3.52Å; E480-Q483 PolarHBondContact O-N 3.18Å; E480-Q483 VanDerWaalsContact O-N 3.07Å; E480-E484 WeakPolarHBondContact O-CG 3.39Å; E480-E484 PolarHBondContact O-N 3.32Å
481	K	79.6	Confident	71.5	Confident	113 Å²	113	101.7 Å²	101.7	49%	0.491	48%	0.484	S	S	.	.	H	α-helix	trans	-61.7	-38.3	173.6	-73.8	171.8	171.3	171.9	0	113	E477 K485	E477-K481 HydrophobicContact CG-CD 4.29Å; E477-K481 WeakPolarHBondContact O-CB 3.37Å; E477-K481 WeakPolarHBondContact O-CG 3.38Å; E477-K481 PolarHBondContact O-N 3.49Å; E477-K481 WeakPolarHBondContact OE1-CE 3.34Å; E477-K481 IonicContact OE1-NZ 3.44Å; E477-K481 PolarHBondContact OE1-NZ 2.99Å; K481-K485 WeakPolarHBondContact O-CG 3.36Å; K481-K485 PolarHBondContact O-N 3.31Å; K481-K485 VanDerWaalsContact O-N 3.15Å
482	R	75.9	Confident	69.7	Low	113 Å²	113	102.7 Å²	102.7	43%	0.426	49%	0.486	S	S	.	.	H	α-helix	trans	-64.7	-43	170.3	-79.4	-173.1	174.2	-175.3	-0.4	111	E23 K478 E480 E484 K485 E486	E23-R482 IonicContact OE1-CZ 3.95Å; E23-R482 IonicContact OE1-NH1 3.87Å; E23-R482 PolarHBondContact OE1-NH1 3.13Å; E23-R482 IonicContact OE1-NH2 2.85Å; E23-R482 PolarHBondContact OE1-NH2 3.43Å; K478-R482 VanDerWaalsContact O-CB 3.31Å; K478-R482 WeakPolarHBondContact O-CB 3.4Å; K478-R482 WeakPolarHBondContact O-CG 3.38Å; K478-R482 PolarHBondContact O-N 3.49Å; E480-R482 PolarHBondContact O-N 3.39Å; R482-E484 VanDerWaalsContact C-N 3.34Å; R482-E484 PolarHBondContact O-N 3.45Å; R482-K485 PolarHBondContact O-N 3.44Å; R482-E486 WeakPolarHBondContact O-CB 3.19Å; R482-E486 WeakPolarHBondContact O-CG 3.35Å; R482-E486 PolarHBondContact O-N 3.15Å
483	Q	72.9	Confident	67.9	Low	71 Å²	71	109.1 Å²	109.1	33%	0.332	52%	0.515	S	S	.	.	H	α-helix	trans	-68.2	-28.1	178.3	-175.1	164	117.8	0	0	114	M479 E480 R487	M479-Q483 WeakPolarHBondContact O-CB 3.34Å; M479-Q483 PolarHBondContact O-N 2.92Å; E480-Q483 CarbonylContact O-C 3.52Å; E480-Q483 PolarHBondContact O-N 3.18Å; E480-Q483 VanDerWaalsContact O-N 3.07Å; Q483-R487 VanDerWaalsContact O-CG 3.25Å; Q483-R487 WeakPolarHBondContact O-CG 3.23Å; Q483-R487 PolarHBondContact O-N 3.29Å
484	E	70.5	Confident	66.2	Low	111 Å²	111	114.6 Å²	114.6	52%	0.519	54%	0.541	S	S	.	.	H	α-helix	trans	-69.3	-50.3	171.2	-72.9	175.7	157.7	0	0	110.3	E480 R482 E486 R487 D488	E480-E484 WeakPolarHBondContact O-CG 3.39Å; E480-E484 PolarHBondContact O-N 3.32Å; R482-E484 VanDerWaalsContact C-N 3.34Å; R482-E484 PolarHBondContact O-N 3.45Å; E484-E486 VanDerWaalsContact C-N 3.3Å; E484-E486 PolarHBondContact O-N 3.43Å; E484-R487 PolarHBondContact O-N 2.85Å; E484-D488 PolarHBondContact O-N 2.91Å
485	K	69.4	Low	64.1	Low	160 Å²	160	120.3 Å²	120.3	70%	0.696	57%	0.565	S	S	*	*	H	α-helix	trans	-54.7	-42	172.6	-70.7	-175.7	175.7	-167.6	0	112.7	K481 R482 R487 D488 S489	K481-K485 WeakPolarHBondContact O-CG 3.36Å; K481-K485 PolarHBondContact O-N 3.31Å; K481-K485 VanDerWaalsContact O-N 3.15Å; R482-K485 PolarHBondContact O-N 3.44Å; K485-R487 VanDerWaalsContact C-N 3.34Å; K485-R487 PolarHBondContact O-N 3.19Å; K485-D488 PolarHBondContact O-N 3.02Å; K485-S489 WeakPolarHBondContact O-CB 3.39Å; K485-S489 PolarHBondContact O-N 3.2Å; K485-S489 PolarHBondContact O-OG 3.02Å
486	E	62.7	Low	62	Low	124 Å²	124	120 Å²	120	58%	0.579	58%	0.578	S	S	*	*	H	α-helix	trans	-64.5	-29.5	176.7	-78.2	176.5	173.4	0	0	114.3	R482 E484 S489	R482-E486 WeakPolarHBondContact O-CB 3.19Å; R482-E486 WeakPolarHBondContact O-CG 3.35Å; R482-E486 PolarHBondContact O-N 3.15Å; E484-E486 VanDerWaalsContact C-N 3.3Å; E484-E486 PolarHBondContact O-N 3.43Å; E486-S489 WeakPolarHBondContact CA-OG 3.23Å
487	R	62.3	Low	60.3	Low	157 Å²	157	124.7 Å²	124.7	59%	0.592	61%	0.61	S	S	*	*	H	α-helix	trans	-72.2	-37.4	177.8	-75.4	166.9	-169.8	171.1	9.6	111.2	Q483 E484 K485	Q483-R487 VanDerWaalsContact O-CG 3.25Å; Q483-R487 WeakPolarHBondContact O-CG 3.23Å; Q483-R487 PolarHBondContact O-N 3.29Å; E484-R487 PolarHBondContact O-N 2.85Å; K485-R487 VanDerWaalsContact C-N 3.34Å; K485-R487 PolarHBondContact O-N 3.19Å
488	D	55.7	Low	58.5	Low	148 Å²	148	130.3 Å²	130.3	79%	0.791	63%	0.633	S	S	*	*	H	α-helix	trans	-78.1	-32.6	178.5	-63.6	-23.7	0	0	0	111.7	E484 K485 S490	E484-D488 PolarHBondContact O-N 2.91Å; K485-D488 PolarHBondContact O-N 3.02Å; D488-S490 PolarHBondContact O-N 3.37Å
489	S	54.2	Low	56.4	Low	71 Å²	71	134.5 Å²	134.5	50%	0.497	66%	0.659	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.2	31.3	-177.5	67.5	0	0	0	0	115.5	K485 E486 S491	K485-S489 WeakPolarHBondContact O-CB 3.39Å; K485-S489 PolarHBondContact O-N 3.2Å; K485-S489 PolarHBondContact O-OG 3.02Å; E486-S489 WeakPolarHBondContact CA-OG 3.23Å; S489-S491 PolarHBondContact O-N 3.4Å
490	S	45.7	Very low	54.8	Low	108 Å²	108	137.9 Å²	137.9	76%	0.755	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	24.6	-165.5	61.9	0	0	0	0	119.2	D488	D488-S490 PolarHBondContact O-N 3.37Å
491	S	45.7	Very low	52.8	Low	117 Å²	117	139.4 Å²	139.4	82%	0.818	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.3	-22.8	-176.7	67.6	0	0	0	0	117.1	S489	S489-S491 PolarHBondContact O-N 3.4Å
492	R	45.4	Very low	51.2	Low	209 Å²	209	139 Å²	139	79%	0.789	70%	0.702	S	S	*	*			trans	-97.8	142	173.2	-105.5	-178.4	178.2	173.4	-3.6	111.2
493	K	42.6	Very low	49.4	Very low	191 Å²	191	142.9 Å²	142.9	83%	0.83	72%	0.724	S	S	*	*			trans	-137.7	70.9	-168.1	-165.5	178.7	-171.2	174.9	0	110.1
494	E	44.2	Very low	48	Very low	155 Å²	155	145.7 Å²	145.7	72%	0.724	75%	0.746	S	S	*	*			trans	-66.8	144.7	-176.4	-83.3	123.3	-139.4	0	0	113.1	T496	E494-T496 PolarHBondContact O-N 3.01Å
495	H	38.9	Very low	46.9	Very low	178 Å²	178	144.1 Å²	144.1	82%	0.824	75%	0.753	S	S	*	*			trans	-92.6	96.4	180	-89.7	-85	0	0	0	109.7	T497	H495-T497 PolarHBondContact O-N 3.09Å
496	T	37.2	Very low	45.7	Very low	133 Å²	133	146.3 Å²	146.3	82%	0.816	76%	0.762	S	S	*	*			trans	-47.8	111.9	168.4	149.9	0	0	0	0	110.2	E494	E494-T496 PolarHBondContact O-N 3.01Å
497	T	43.3	Very low	45.1	Very low	129 Å²	129	145.1 Å²	145.1	79%	0.791	76%	0.763	S	S	*	*			trans	-72.3	158.9	168.8	52.7	0	0	0	0	108.9	H495	H495-T497 PolarHBondContact O-N 3.09Å
498	K	43.5	Very low	44.4	Very low	187 Å²	187	146 Å²	146	81%	0.813	77%	0.774	S	S	*	*			trans	-101.9	122.5	-176.7	-67.7	179.1	-177.2	173.6	0	109.6	I500	K498-I500 PolarHBondContact O-N 3.21Å
499	L	37.3	Very low	44.2	Very low	174 Å²	174	146.9 Å²	146.9	91%	0.911	77%	0.773	S	S	*	*			trans	-41	105.8	170.3	-71.7	161.5	0	0	0	111.5	T501	L499-T501 PolarHBondContact O-N 3.41Å
500	I	45.4	Very low	43.7	Very low	159 Å²	159	148.9 Å²	148.9	82%	0.815	78%	0.782	S	S	*	*			trans	-86	104.7	168.1	-62.5	178.9	0	0	0	106.2	K498 P502	K498-I500 PolarHBondContact O-N 3.21Å; I500-P502 WeakPolarHBondContact O-CD 3.32Å
501	T	37.1	Very low	43.8	Very low	119 Å²	119	153.1 Å²	153.1	73%	0.73	78%	0.783	S	S	*	*			trans	-65	121.6	176.7	-31.9	0	0	0	0	109	L499 Q503	L499-T501 PolarHBondContact O-N 3.41Å; T501-Q503 PolarHBondContact O-N 3.06Å
502	P	45.2	Very low	44.3	Very low	106 Å²	106	157.9 Å²	157.9	69%	0.688	78%	0.783	S	S	*	*			trans	-61.8	128.2	178.1	24.3	-32.8	0	0	0	109.4	I500 V504	I500-P502 WeakPolarHBondContact O-CD 3.32Å; P502-V504 PolarHBondContact O-N 3.23Å
503	Q	39.5	Very low	44.9	Very low	193 Å²	193	151.4 Å²	151.4	90%	0.902	77%	0.768	S	S	*	*			trans	-74.2	93.1	178.6	-66.6	-170.2	22.7	0	0	109.2	T501 A505	T501-Q503 PolarHBondContact O-N 3.06Å; Q503-A505 PolarHBondContact O-N 2.88Å
504	V	42.6	Very low	45.6	Very low	130 Å²	130	147.3 Å²	147.3	79%	0.788	76%	0.759	S	S	*	*			trans	-59.9	101.2	176.1	-178.6	0	0	0	0	109.3	P502 K506	P502-V504 PolarHBondContact O-N 3.23Å; V504-K506 PolarHBondContact O-N 3.3Å
505	A	48	Very low	46.3	Very low	79 Å²	79	148.1 Å²	148.1	65%	0.653	76%	0.763	S	S	*	*			trans	-62.7	123.7	173.4	0	0	0	0	0	109	Q503 V507	Q503-A505 PolarHBondContact O-N 2.88Å; A505-V507 PolarHBondContact O-N 3.11Å
506	K	43.6	Very low	47.3	Very low	205 Å²	205	145.2 Å²	145.2	89%	0.891	75%	0.748	S	S	*	*			trans	-69.9	96.2	175.7	-75.8	-174	174	-176	0	109.9	V504 E508	V504-K506 PolarHBondContact O-N 3.3Å; K506-E508 PolarHBondContact O-N 3.37Å
507	V	49.9	Very low	48.1	Very low	100 Å²	100	144 Å²	144	61%	0.606	75%	0.751	S	S	*	*			trans	-71.7	109.2	168.1	-176.4	0	0	0	0	108.5	A505 H509	A505-V507 PolarHBondContact O-N 3.11Å; V507-H509 WeakPolarHBondContact CG1-NE2 3.48Å; V507-H509 PolarHBondContact O-CD2 3.43Å; V507-H509 VanDerWaalsContact O-CD2 3.32Å; V507-H509 PolarHBondContact O-N 3Å
508	E	48.4	Very low	49.1	Very low	175 Å²	175	141.8 Å²	141.8	82%	0.818	75%	0.754	S	S	*	*			trans	-83.5	80.7	-176.5	-167.1	164.7	-122.7	0	0	110.6	K506 T510	K506-E508 PolarHBondContact O-N 3.37Å; E508-T510 VanDerWaalsContact C-N 3.34Å; E508-T510 PolarHBondContact O-N 3.45Å
509	H	49.9	Very low	49.7	Very low	166 Å²	166	136.1 Å²	136.1	77%	0.769	74%	0.738	S	S	*	*			trans	-64.6	85.4	-177.3	-70.6	-79.9	0	0	0	112.9	V507 Y511	V507-H509 WeakPolarHBondContact CG1-NE2 3.48Å; V507-H509 PolarHBondContact O-CD2 3.43Å; V507-H509 VanDerWaalsContact O-CD2 3.32Å; V507-H509 PolarHBondContact O-N 3Å; H509-Y511 PolarHBondContact O-N 2.91Å
510	T	44	Very low	50.4	Low	114 Å²	114	136.6 Å²	136.6	70%	0.699	74%	0.741	S	S	*	*			trans	-73	93.2	171.2	-64	0	0	0	0	109.9	E508 R512	E508-T510 VanDerWaalsContact C-N 3.34Å; E508-T510 PolarHBondContact O-N 3.45Å; T510-R512 PolarHBondContact O-N 3.22Å; T510-R512 VanDerWaalsContact O-N 3.07Å
511	Y	49	Very low	51.1	Low	197 Å²	197	131.5 Å²	131.5	77%	0.773	73%	0.727	S	S	*	*			trans	-58.8	110.8	177.8	177.1	-109.8	0	0	0	111.8	H509 P513	H509-Y511 PolarHBondContact O-N 2.91Å; Y511-P513 HydrophobicContact CD1-CG 4.26Å; Y511-P513 HydrophobicContact CE1-CB 4.31Å; Y511-P513 HydrophobicContact CE1-CG 3.72Å
512	R	54.5	Low	52.3	Low	217 Å²	217	135.3 Å²	135.3	82%	0.819	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-99	117.1	164.3	-78.9	-170.9	169.7	-160.5	-0.4	109	T510	T510-R512 PolarHBondContact O-N 3.22Å; T510-R512 VanDerWaalsContact O-N 3.07Å
513	P	58.4	Low	52.9	Low	72 Å²	72	135.4 Å²	135.4	47%	0.468	73%	0.728	S	S	.	*	P	Polyproline II helix	trans	-59.1	141.6	170.1	-19.1	29.2	0	0	0	110.9	Y511 Q515	Y511-P513 HydrophobicContact CD1-CG 4.26Å; Y511-P513 HydrophobicContact CE1-CB 4.31Å; Y511-P513 HydrophobicContact CE1-CG 3.72Å; P513-Q515 PolarHBondContact O-N 2.88Å
514	V	58.3	Low	53.9	Low	106 Å²	106	130.6 Å²	130.6	64%	0.642	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-59.9	132.7	174.9	-179	0	0	0	0	109.9	F516	V514-F516 HydrophobicContact CB-CE2 4.36Å; V514-F516 HydrophobicContact CG1-CD1 4.44Å; V514-F516 HydrophobicContact CG1-CD2 4.21Å; V514-F516 HydrophobicContact CG1-CE1 4.02Å; V514-F516 HydrophobicContact CG1-CE2 3.76Å; V514-F516 HydrophobicContact CG1-CZ 3.66Å
515	Q	59	Low	54.8	Low	172 Å²	172	130.7 Å²	130.7	80%	0.804	71%	0.712	S	S	*	*			trans	-120.4	97.2	-179.8	-65.8	-176.2	20.5	0	0	109.7	P513 A517	P513-Q515 PolarHBondContact O-N 2.88Å; Q515-A517 PolarHBondContact O-N 3.26Å
516	F	59.1	Low	55.5	Low	116 Å²	116	129.9 Å²	129.9	51%	0.509	70%	0.702	S	S	.	*			trans	-68.7	112	177.5	-61.6	-81.4	0	0	0	110.5	V514 G518 S519 L523	V514-F516 HydrophobicContact CB-CE2 4.36Å; V514-F516 HydrophobicContact CG1-CD1 4.44Å; V514-F516 HydrophobicContact CG1-CD2 4.21Å; V514-F516 HydrophobicContact CG1-CE1 4.02Å; V514-F516 HydrophobicContact CG1-CE2 3.76Å; V514-F516 HydrophobicContact CG1-CZ 3.66Å; F516-G518 PolarHBondContact O-N 3.33Å; F516-S519 WeakPolarHBondContact O-CB 3.31Å; F516-S519 PolarHBondContact O-N 3.11Å; F516-S519 PolarHBondContact O-OG 3.17Å; F516-L523 HydrophobicContact CD2-CD1 4.44Å
517	A	53.8	Low	56.6	Low	108 Å²	108	122.8 Å²	122.8	89%	0.893	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.1	136	177.7	0	0	0	0	0	110.6	Q515	Q515-A517 PolarHBondContact O-N 3.26Å
518	G	64.1	Low	57.3	Low	82 Å²	82	125 Å²	125	85%	0.845	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	86.5	-7.1	-177.2	0	0	0	0	0	115.6	F516 L520	F516-G518 PolarHBondContact O-N 3.33Å; G518-L520 PolarHBondContact O-N 3.37Å; G518-L520 VanDerWaalsContact O-N 3.12Å
519	S	56.3	Low	58.1	Low	69 Å²	69	124.2 Å²	124.2	48%	0.483	69%	0.693	S	S	.	*			trans	-66.2	112.4	173.4	67.9	0	0	0	0	110.7	F516 G521	F516-S519 WeakPolarHBondContact O-CB 3.31Å; F516-S519 PolarHBondContact O-N 3.11Å; F516-S519 PolarHBondContact O-OG 3.17Å; S519-G521 PolarHBondContact O-N 3.39Å
520	L	53.1	Low	58.7	Low	184 Å²	184	121.8 Å²	121.8	96%	0.963	69%	0.686	S	S	*	*	S	Bend	trans	-79.9	54.2	-172.7	-144.2	170.3	0	0	0	112.2	G518	G518-L520 PolarHBondContact O-N 3.37Å; G518-L520 VanDerWaalsContact O-N 3.12Å
521	G	60.3	Low	60	Low	51 Å²	51	121.1 Å²	121.1	53%	0.526	68%	0.683	S	S	.	*	S	Bend	trans	160.5	127.3	-177.9	0	0	0	0	0	111	S519 L523	S519-G521 PolarHBondContact O-N 3.39Å; G521-L523 PolarHBondContact O-N 2.67Å
522	K	61.6	Low	60.8	Low	199 Å²	199	117.5 Å²	117.5	87%	0.865	67%	0.668	S	S	*	*			trans	-62.7	125.6	175.1	-168	174.9	-172.7	176	0	109	T524	K522-T524 PolarHBondContact O-N 3.17Å
523	L	57.3	Low	61.4	Low	109 Å²	109	116.6 Å²	116.6	57%	0.571	67%	0.67	S	S	*	*			trans	-50.2	103.1	176.3	-100.7	154.1	0	0	0	110.3	F516 G521 V525	F516-L523 HydrophobicContact CD2-CD1 4.44Å; G521-L523 PolarHBondContact O-N 2.67Å; L523-V525 PolarHBondContact O-N 3.3Å; L523-V525 VanDerWaalsContact O-N 3.11Å
524	T	61.2	Low	61.8	Low	91 Å²	91	120.9 Å²	120.9	56%	0.558	69%	0.686	S	S	*	*			trans	-72.5	106.2	-178.6	48.3	0	0	0	0	109.5	K522 S526 R532	K522-T524 PolarHBondContact O-N 3.17Å; T524-S526 PolarHBondContact O-N 3.48Å; T524-R532 VanDerWaalsContact O-CZ 3.28Å; T524-R532 PolarHBondContact O-NE 3.37Å; T524-R532 PolarHBondContact O-NH2 2.9Å; T524-R532 VanDerWaalsContact O-NH2 3.13Å; T524-R532 PolarHBondContact OG1-NH2 3.14Å
525	V	60.3	Low	61.9	Low	132 Å²	132	122.9 Å²	122.9	80%	0.8	69%	0.691	S	S	*	*			trans	-52	132	174.3	-169.4	0	0	0	0	109	L523 S527	L523-V525 PolarHBondContact O-N 3.3Å; L523-V525 VanDerWaalsContact O-N 3.11Å; V525-S527 PolarHBondContact O-N 3.05Å; V525-S527 VanDerWaalsContact O-N 3.13Å
526	S	62.8	Low	62.1	Low	62 Å²	62	121.4 Å²	121.4	43%	0.434	69%	0.689	S	S	.	*			trans	-59.4	115.9	176.3	48.6	0	0	0	0	109.7	T524	T524-S526 PolarHBondContact O-N 3.48Å
527	S	66.8	Low	62.4	Low	57 Å²	57	119.5 Å²	119.5	40%	0.399	70%	0.695	S	S	.	*	B	Isolated β-bridge	trans	-100.5	160.8	179.4	76.3	0	0	0	0	110.7	V525 N529 N530	V525-S527 PolarHBondContact O-N 3.05Å; V525-S527 VanDerWaalsContact O-N 3.13Å; S527-N529 PolarHBondContact O-N 2.91Å; S527-N529 VanDerWaalsContact O-N 3.08Å; S527-N529 PolarHBondContact OG-N 3.08Å; S527-N530 PolarHBondContact N-O 3.33Å; S527-N530 CarbonylContact O-C 3.57Å; S527-N530 PolarHBondContact O-N 2.94Å; S527-N530 PolarHBondContact OG-N 2.81Å; S527-N530 VanDerWaalsContact OG-N 3.15Å
528	V	64.6	Low	62.8	Low	146 Å²	146	119.8 Å²	119.8	89%	0.885	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.8	-23.9	176.5	-157.2	0	0	0	0	111.9
529	N	65.1	Low	62.7	Low	158 Å²	158	121.8 Å²	121.8	85%	0.845	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-9	178.3	-57	90	0	0	0	113.9	S527	S527-N529 PolarHBondContact O-N 2.91Å; S527-N529 VanDerWaalsContact O-N 3.08Å; S527-N529 PolarHBondContact OG-N 3.08Å
530	N	63.3	Low	63.1	Low	116 Å²	116	123.9 Å²	123.9	62%	0.62	69%	0.691	S	S	*	*	B	Isolated β-bridge	trans	-150	74.8	175.7	-169	9	0	0	0	110.3	S527 R532	S527-N530 PolarHBondContact N-O 3.33Å; S527-N530 CarbonylContact O-C 3.57Å; S527-N530 PolarHBondContact O-N 2.94Å; S527-N530 PolarHBondContact OG-N 2.81Å; S527-N530 VanDerWaalsContact OG-N 3.15Å; N530-R532 PolarHBondContact O-N 3.47Å
531	P	70.4	Confident	63.5	Low	100 Å²	100	121.3 Å²	121.3	65%	0.649	68%	0.683	S	S	*	*			trans	-70.6	124.5	-180	28.1	-33.9	0	0	0	110.7
532	R	67.1	Low	63.7	Low	121 Å²	121	125 Å²	125	46%	0.457	68%	0.681	S	S	.	*			trans	-71.5	134.5	172	-71	178.7	168.3	-125	-3	109.7	T524 N530 M534	T524-R532 VanDerWaalsContact O-CZ 3.28Å; T524-R532 PolarHBondContact O-NE 3.37Å; T524-R532 PolarHBondContact O-NH2 2.9Å; T524-R532 VanDerWaalsContact O-NH2 3.13Å; T524-R532 PolarHBondContact OG1-NH2 3.14Å; N530-R532 PolarHBondContact O-N 3.47Å; R532-M534 HydrophobicContact CB-CG 4.28Å; R532-M534 PolarHBondContact O-N 3.45Å
533	K	67.4	Low	64.3	Low	198 Å²	198	118.3 Å²	118.3	86%	0.861	66%	0.659	S	S	*	*			trans	-69.8	115.5	158.8	-70.6	-171.5	174.4	-169.2	0	108
534	M	66.2	Low	65.4	Low	161 Å²	161	118.6 Å²	118.6	79%	0.793	66%	0.661	S	S	*	*			trans	-105.8	-17	178.1	-71	178.5	59.5	0	0	113.4	R532	R532-M534 HydrophobicContact CB-CG 4.28Å; R532-M534 PolarHBondContact O-N 3.45Å
535	I	60.3	Low	66.4	Low	148 Å²	148	118.4 Å²	118.4	76%	0.759	66%	0.657	S	S	*	*			trans	-131.8	126	178.9	-56.9	174.7	0	0	0	106.6
536	D	64.1	Low	67.5	Low	141 Å²	141	115.2 Å²	115.2	75%	0.754	63%	0.633	S	S	*	*			trans	-105.2	101.5	163.7	-158.9	5.7	0	0	0	107.5	V538	D536-V538 VanDerWaalsContact C-N 3.28Å; D536-V538 PolarHBondContact O-N 2.96Å
537	A	65.4	Low	68.5	Low	76 Å²	76	116.4 Å²	116.4	63%	0.628	63%	0.632	S	S	*	*			trans	-77.5	81.6	-175.1	0	0	0	0	0	109.4	V539	A537-V539 PolarHBondContact O-N 3.35Å
538	V	62.2	Low	69.3	Low	114 Å²	114	118.9 Å²	118.9	69%	0.691	64%	0.635	S	S	*	*			trans	-53.9	112.2	169.2	178.2	0	0	0	0	107.6	D536 T540	D536-V538 VanDerWaalsContact C-N 3.28Å; D536-V538 PolarHBondContact O-N 2.96Å; V538-T540 VanDerWaalsContact C-N 3.25Å; V538-T540 PolarHBondContact O-N 3.46Å
539	V	62.2	Low	70.2	Confident	125 Å²	125	118.7 Å²	118.7	76%	0.758	62%	0.619	S	S	*	*			trans	-72.2	86.8	179.1	-178.1	0	0	0	0	108.1	A537 T541	A537-V539 PolarHBondContact O-N 3.35Å; V539-T541 PolarHBondContact O-N 2.88Å; V539-T541 VanDerWaalsContact O-N 3.09Å
540	T	64.1	Low	71.1	Confident	113 Å²	113	115.9 Å²	115.9	69%	0.693	60%	0.601	S	S	*	*			trans	-62.2	109.5	165.5	46.8	0	0	0	0	107.3	V538 R542	V538-T540 VanDerWaalsContact C-N 3.25Å; V538-T540 PolarHBondContact O-N 3.46Å; T540-R542 PolarHBondContact O-N 3.49Å
541	T	61.1	Low	72.3	Confident	130 Å²	130	115.2 Å²	115.2	80%	0.798	59%	0.592	S	S	*	*			trans	-72.9	78.9	178	53.1	0	0	0	0	109.3	V539 S543	V539-T541 PolarHBondContact O-N 2.88Å; V539-T541 VanDerWaalsContact O-N 3.09Å; T541-S543 PolarHBondContact O-N 2.94Å
542	R	64.6	Low	73.2	Confident	128 Å²	128	117 Å²	117	48%	0.483	59%	0.592	S	S	.	*			trans	-49.4	138.8	161.1	-86.7	-169.7	149.1	171.6	1.3	108.3	T540 E546 E550	T540-R542 PolarHBondContact O-N 3.49Å; R542-E546 IonicContact CZ-OE1 3.98Å; R542-E546 VanDerWaalsContact NE-CD 3.34Å; R542-E546 IonicContact NE-OE1 2.7Å; R542-E546 PolarHBondContact NE-OE1 2.9Å; R542-E546 IonicContact NE-OE2 2.75Å; R542-E546 IonicContact NH2-OE1 2.66Å; R542-E546 PolarHBondContact NH2-OE1 3.23Å; R542-E546 VanDerWaalsContact NH2-OE1 3.1Å; R542-E550 IonicContact CZ-OE1 3.79Å; R542-E550 IonicContact CZ-OE2 2.66Å; R542-E550 VanDerWaalsContact NH1-CD 3.25Å; R542-E550 IonicContact NH1-OE1 2.76Å; R542-E550 PolarHBondContact NH1-OE1 3.46Å; R542-E550 IonicContact NH1-OE2 3.84Å; R542-E550 PolarHBondContact NH1-OE2 3.04Å
543	S	74.6	Confident	74.2	Confident	59 Å²	59	116.3 Å²	116.3	41%	0.413	60%	0.601	S	S	.	*			trans	-64.4	140.9	176.9	64.2	0	0	0	0	110.3	T541 D545 E546 E547	T541-S543 PolarHBondContact O-N 2.94Å; S543-D545 PolarHBondContact O-N 2.95Å; S543-E546 WeakPolarHBondContact O-CB 3.47Å; S543-E546 PolarHBondContact O-N 3.47Å; S543-E546 WeakPolarHBondContact OG-CB 3.37Å; S543-E546 PolarHBondContact OG-N 3.01Å; S543-E547 PolarHBondContact O-N 3Å
544	D	79.7	Confident	75.1	Confident	114 Å²	114	114.7 Å²	114.7	61%	0.61	59%	0.59	S	S	*	*	H	α-helix	trans	-47.9	-33.3	173.7	-79.4	21.5	0	0	0	112.4	K548	D544-K548 WeakPolarHBondContact O-CB 3.44Å; D544-K548 WeakPolarHBondContact O-CD 3.33Å; D544-K548 WeakPolarHBondContact O-CE 3.24Å; D544-K548 WeakPolarHBondContact O-CG 3.36Å; D544-K548 PolarHBondContact O-N 3.17Å
545	D	82.6	Confident	76.4	Confident	87 Å²	87	110.4 Å²	110.4	47%	0.465	57%	0.57	S	S	.	*	H	α-helix	trans	-78.1	-27.1	-178.7	-60.3	-32.7	0	0	0	113.5	S543 K548 R549	S543-D545 PolarHBondContact O-N 2.95Å; D545-K548 IonicContact OD1-NZ 2.68Å; D545-K548 PolarHBondContact OD1-NZ 3.43Å; D545-R549 VanDerWaalsContact O-CG 3.29Å; D545-R549 WeakPolarHBondContact O-CG 3.36Å; D545-R549 VanDerWaalsContact O-CZ 3.31Å; D545-R549 PolarHBondContact O-N 3.11Å; D545-R549 VanDerWaalsContact O-N 3.1Å; D545-R549 PolarHBondContact O-NH1 3.5Å; D545-R549 VanDerWaalsContact O-NH1 3.1Å
546	E	82.8	Confident	77.8	Confident	65 Å²	65	108.8 Å²	108.8	30%	0.304	56%	0.557	S	S	.	*	H	α-helix	trans	-67.8	-46.9	168.7	-171	-177.4	171.4	0	0	110.3	R542 S543 K548 R549 E550	R542-E546 IonicContact CZ-OE1 3.98Å; R542-E546 VanDerWaalsContact NE-CD 3.34Å; R542-E546 IonicContact NE-OE1 2.7Å; R542-E546 PolarHBondContact NE-OE1 2.9Å; R542-E546 IonicContact NE-OE2 2.75Å; R542-E546 IonicContact NH2-OE1 2.66Å; R542-E546 PolarHBondContact NH2-OE1 3.23Å; R542-E546 VanDerWaalsContact NH2-OE1 3.1Å; S543-E546 WeakPolarHBondContact O-CB 3.47Å; S543-E546 PolarHBondContact O-N 3.47Å; S543-E546 WeakPolarHBondContact OG-CB 3.37Å; S543-E546 PolarHBondContact OG-N 3.01Å; E546-K548 VanDerWaalsContact C-N 3.34Å; E546-K548 PolarHBondContact O-N 2.65Å; E546-R549 PolarHBondContact O-N 3.45Å; E546-E550 WeakPolarHBondContact O-CB 3.34Å; E546-E550 PolarHBondContact O-N 2.73Å
547	E	83.4	Confident	79.1	Confident	87 Å²	87	109.8 Å²	109.8	41%	0.407	55%	0.55	S	S	.	*	H	α-helix	trans	-64.5	-37.3	177.9	-154.6	-149.1	-173.2	0	0	111.8	S543 K551	S543-E547 PolarHBondContact O-N 3Å; E547-K551 HydrophobicContact CG-CD 4.4Å; E547-K551 WeakPolarHBondContact O-CB 3.35Å; E547-K551 WeakPolarHBondContact O-CD 3.38Å; E547-K551 WeakPolarHBondContact O-CG 3.44Å; E547-K551 PolarHBondContact O-N 3.38Å; E547-K551 WeakPolarHBondContact OE1-CE 3.5Å; E547-K551 IonicContact OE1-NZ 2.69Å; E547-K551 PolarHBondContact OE1-NZ 3.48Å; E547-K551 IonicContact OE2-NZ 2.64Å; E547-K551 PolarHBondContact OE2-NZ 2.91Å
548	K	83.8	Confident	80.5	Confident	109 Å²	109	113 Å²	113	47%	0.474	55%	0.546	S	S	.	.	H	α-helix	trans	-61.6	-45.5	171.4	-74.4	163.1	-146.8	158.7	0	112	D544 D545 E546 K551 Q552	D544-K548 WeakPolarHBondContact O-CB 3.44Å; D544-K548 WeakPolarHBondContact O-CD 3.33Å; D544-K548 WeakPolarHBondContact O-CE 3.24Å; D544-K548 WeakPolarHBondContact O-CG 3.36Å; D544-K548 PolarHBondContact O-N 3.17Å; D545-K548 IonicContact OD1-NZ 2.68Å; D545-K548 PolarHBondContact OD1-NZ 3.43Å; E546-K548 VanDerWaalsContact C-N 3.34Å; E546-K548 PolarHBondContact O-N 2.65Å; K548-K551 PolarHBondContact O-N 3.26Å; K548-Q552 WeakPolarHBondContact O-CB 3.45Å; K548-Q552 PolarHBondContact O-N 2.92Å
549	R	84.7	Confident	82	Confident	142 Å²	142	112.4 Å²	112.4	54%	0.536	54%	0.536	S	S	.	.	H	α-helix	trans	-63.4	-44.9	177.5	-74.8	-175.9	-55.7	-91.7	5.8	111.5	D545 E546 Q552 V553	D545-R549 VanDerWaalsContact O-CG 3.29Å; D545-R549 WeakPolarHBondContact O-CG 3.36Å; D545-R549 VanDerWaalsContact O-CZ 3.31Å; D545-R549 PolarHBondContact O-N 3.11Å; D545-R549 VanDerWaalsContact O-N 3.1Å; D545-R549 PolarHBondContact O-NH1 3.5Å; D545-R549 VanDerWaalsContact O-NH1 3.1Å; E546-R549 PolarHBondContact O-N 3.45Å; R549-Q552 WeakPolarHBondContact O-CB 3.31Å; R549-Q552 PolarHBondContact O-N 3.3Å; R549-Q552 VanDerWaalsContact O-N 3.16Å; R549-V553 WeakPolarHBondContact O-CG2 3.36Å; R549-V553 PolarHBondContact O-N 2.78Å
550	E	83.9	Confident	83.5	Confident	100 Å²	100	107.3 Å²	107.3	47%	0.467	51%	0.505	S	S	.	.	H	α-helix	trans	-60.2	-46.4	177.1	-169.9	167.4	-140	0	0	111.2	R542 E546 Q552 V553 W554	R542-E550 IonicContact CZ-OE1 3.79Å; R542-E550 IonicContact CZ-OE2 2.66Å; R542-E550 VanDerWaalsContact NH1-CD 3.25Å; R542-E550 IonicContact NH1-OE1 2.76Å; R542-E550 PolarHBondContact NH1-OE1 3.46Å; R542-E550 IonicContact NH1-OE2 3.84Å; R542-E550 PolarHBondContact NH1-OE2 3.04Å; E546-E550 WeakPolarHBondContact O-CB 3.34Å; E546-E550 PolarHBondContact O-N 2.73Å; E550-Q552 VanDerWaalsContact C-N 3.35Å; E550-Q552 PolarHBondContact O-N 2.74Å; E550-V553 PolarHBondContact O-N 2.66Å; E550-W554 WeakPolarHBondContact O-CB 3.31Å; E550-W554 PolarHBondContact O-N 3.12Å
551	K	87.3	Confident	85	Confident	101 Å²	101	105.4 Å²	105.4	44%	0.439	49%	0.491	S	S	.	.	H	α-helix	trans	-61.2	-37.5	172.6	-73.6	167.5	-179.3	172.5	0	113	E547 K548 N555	E547-K551 HydrophobicContact CG-CD 4.4Å; E547-K551 WeakPolarHBondContact O-CB 3.35Å; E547-K551 WeakPolarHBondContact O-CD 3.38Å; E547-K551 WeakPolarHBondContact O-CG 3.44Å; E547-K551 PolarHBondContact O-N 3.38Å; E547-K551 WeakPolarHBondContact OE1-CE 3.5Å; E547-K551 IonicContact OE1-NZ 2.69Å; E547-K551 PolarHBondContact OE1-NZ 3.48Å; E547-K551 IonicContact OE2-NZ 2.64Å; E547-K551 PolarHBondContact OE2-NZ 2.91Å; K548-K551 PolarHBondContact O-N 3.26Å; K551-N555 WeakPolarHBondContact O-CB 3.43Å; K551-N555 VanDerWaalsContact O-CG 3.25Å; K551-N555 PolarHBondContact O-N 3.01Å; K551-N555 PolarHBondContact O-ND2 3.37Å; K551-N555 VanDerWaalsContact O-ND2 3.08Å
552	Q	89.3	Confident	86.6	Confident	139 Å²	139	106.2 Å²	106.2	65%	0.65	48%	0.48	S	S	*	.	H	α-helix	trans	-67.8	-45	177.5	-173	-179.9	5.1	0	0	111.7	K548 R549 E550 N555 K556	K548-Q552 WeakPolarHBondContact O-CB 3.45Å; K548-Q552 PolarHBondContact O-N 2.92Å; R549-Q552 WeakPolarHBondContact O-CB 3.31Å; R549-Q552 PolarHBondContact O-N 3.3Å; R549-Q552 VanDerWaalsContact O-N 3.16Å; E550-Q552 VanDerWaalsContact C-N 3.35Å; E550-Q552 PolarHBondContact O-N 2.74Å; Q552-N555 PolarHBondContact O-N 3.1Å; Q552-K556 PolarHBondContact O-N 3.05Å
553	V	88.4	Confident	88	Confident	106 Å²	106	101.5 Å²	101.5	64%	0.642	47%	0.465	S	S	*	.	H	α-helix	trans	-62.3	-45.3	175.4	172.2	0	0	0	0	110.8	R549 E550 N555 K556 R557	R549-V553 WeakPolarHBondContact O-CG2 3.36Å; R549-V553 PolarHBondContact O-N 2.78Å; E550-V553 PolarHBondContact O-N 2.66Å; V553-N555 PolarHBondContact O-N 3.38Å; V553-K556 PolarHBondContact O-N 3.17Å; V553-R557 PolarHBondContact O-N 3.38Å
554	W	87.4	Confident	89	Confident	164 Å²	164	98.7 Å²	98.7	62%	0.621	45%	0.446	S	S	*	.	H	α-helix	trans	-58.9	-45.6	174.9	179.5	-100.9	0	0	0	112.3	E550 R557 R558	E550-W554 WeakPolarHBondContact O-CB 3.31Å; E550-W554 PolarHBondContact O-N 3.12Å; W554-R557 PolarHBondContact O-N 3.17Å; W554-R558 WeakPolarHBondContact O-CB 3.32Å; W554-R558 PolarHBondContact O-N 3.26Å
555	N	92.1	Very high	89.8	Confident	71 Å²	71	97.3 Å²	97.3	38%	0.38	44%	0.436	S	S	.	.	H	α-helix	trans	-63.9	-39.7	177	-77.5	-36.4	0	0	0	112.4	K551 Q552 V553 R558 Q559	K551-N555 WeakPolarHBondContact O-CB 3.43Å; K551-N555 VanDerWaalsContact O-CG 3.25Å; K551-N555 PolarHBondContact O-N 3.01Å; K551-N555 PolarHBondContact O-ND2 3.37Å; K551-N555 VanDerWaalsContact O-ND2 3.08Å; Q552-N555 PolarHBondContact O-N 3.1Å; V553-N555 PolarHBondContact O-N 3.38Å; N555-R558 PolarHBondContact O-N 2.69Å; N555-R558 PolarHBondContact OD1-NH2 3.31Å; N555-Q559 WeakPolarHBondContact O-CB 3.41Å; N555-Q559 PolarHBondContact O-N 3.14Å
556	K	90.8	Very high	90.4	Very high	114 Å²	114	98.8 Å²	98.8	50%	0.496	44%	0.438	S	S	.	.	H	α-helix	trans	-65.4	-43.8	174.5	-170.9	163.4	-180	165.5	0	111.2	Q552 V553 R558 Q559 V560 M623	Q552-K556 PolarHBondContact O-N 3.05Å; V553-K556 PolarHBondContact O-N 3.17Å; K556-R558 PolarHBondContact O-N 3.08Å; K556-Q559 PolarHBondContact O-N 2.9Å; K556-V560 WeakPolarHBondContact O-CG2 3.47Å; K556-V560 PolarHBondContact O-N 2.96Å; K556-M623 WeakPolarHBondContact CE-SD 3.47Å
557	R	91.9	Very high	91	Very high	161 Å²	161	95.8 Å²	95.8	61%	0.608	42%	0.424	S	S	*	.	H	α-helix	trans	-59.4	-44.6	174	-174.5	176.5	-179.5	174.9	0.2	111.9	V553 W554 Q559 V560 L561	V553-R557 PolarHBondContact O-N 3.38Å; W554-R557 PolarHBondContact O-N 3.17Å; R557-Q559 VanDerWaalsContact C-N 3.33Å; R557-Q559 PolarHBondContact O-N 2.99Å; R557-V560 PolarHBondContact O-N 3Å; R557-L561 HydrophobicContact CG-CD1 4.41Å; R557-L561 WeakPolarHBondContact O-CG 3.48Å; R557-L561 PolarHBondContact O-N 3.1Å; R557-L561 VanDerWaalsContact O-N 3.07Å
558	R	93.8	Very high	91.6	Very high	144 Å²	144	93 Å²	93	54%	0.543	41%	0.41	S	S	.	.	H	α-helix	trans	-62.5	-38.5	176.5	-169.8	-173.9	68.9	-162.2	-5.6	112.1	W554 N555 K556 L561 Y562	W554-R558 WeakPolarHBondContact O-CB 3.32Å; W554-R558 PolarHBondContact O-N 3.26Å; N555-R558 PolarHBondContact O-N 2.69Å; N555-R558 PolarHBondContact OD1-NH2 3.31Å; K556-R558 PolarHBondContact O-N 3.08Å; R558-L561 PolarHBondContact O-N 3.32Å; R558-Y562 WeakPolarHBondContact O-CB 3.43Å; R558-Y562 PolarHBondContact O-N 3.04Å
559	Q	93.5	Very high	92.1	Very high	101 Å²	101	91 Å²	91	47%	0.472	41%	0.41	S	S	.	.	H	α-helix	trans	-65.4	-43.5	176.6	-173.5	59.5	46.6	0	0	111.8	N555 K556 R557 L561 Y562 T563	N555-Q559 WeakPolarHBondContact O-CB 3.41Å; N555-Q559 PolarHBondContact O-N 3.14Å; K556-Q559 PolarHBondContact O-N 2.9Å; R557-Q559 VanDerWaalsContact C-N 3.33Å; R557-Q559 PolarHBondContact O-N 2.99Å; Q559-L561 PolarHBondContact O-N 3.4Å; Q559-Y562 PolarHBondContact O-N 3.31Å; Q559-T563 PolarHBondContact NE2-OG1 3.34Å; Q559-T563 PolarHBondContact O-N 3.44Å; Q559-T563 PolarHBondContact O-OG1 2.81Å; Q559-T563 VanDerWaalsContact O-OG1 3.13Å
560	V	93.6	Very high	92.6	Very high	18 Å²	18	85.2 Å²	85.2	11%	0.109	39%	0.39	C	S	.	.	H	α-helix	trans	-58.4	-48.4	175.1	172.6	0	0	0	0	111	K556 R557 Y562 T563 V564 M623	K556-V560 WeakPolarHBondContact O-CG2 3.47Å; K556-V560 PolarHBondContact O-N 2.96Å; R557-V560 PolarHBondContact O-N 3Å; V560-Y562 PolarHBondContact O-N 3.02Å; V560-T563 PolarHBondContact O-N 3.49Å; V560-V564 HydrophobicContact CG1-CG2 4.42Å; V560-V564 VanDerWaalsContact O-CG2 3.27Å; V560-V564 WeakPolarHBondContact O-CG2 3.49Å; V560-V564 PolarHBondContact O-N 3.14Å; V560-M623 VanDerWaalsContact CG1-O 3.25Å; V560-M623 WeakPolarHBondContact CG1-O 3.5Å; V560-M623 HydrophobicContact CG2-CB 3.98Å; V560-M623 HydrophobicContact CG2-CG 4.2Å; V560-M623 HydrophobicContact CG2-SD 4.12Å
561	L	95.8	Very high	93.1	Very high	74 Å²	74	80.5 Å²	80.5	39%	0.387	37%	0.367	S	S	.	.	H	α-helix	trans	-60.7	-45	177.4	-67.5	172.7	0	0	0	111.9	R557 R558 Q559 T563 V564 E565 V627	R557-L561 HydrophobicContact CG-CD1 4.41Å; R557-L561 WeakPolarHBondContact O-CG 3.48Å; R557-L561 PolarHBondContact O-N 3.1Å; R557-L561 VanDerWaalsContact O-N 3.07Å; R558-L561 PolarHBondContact O-N 3.32Å; Q559-L561 PolarHBondContact O-N 3.4Å; L561-T563 PolarHBondContact O-N 3.45Å; L561-V564 PolarHBondContact O-N 3.33Å; L561-E565 WeakPolarHBondContact O-CG 3.46Å; L561-E565 PolarHBondContact O-N 3.5Å; L561-V627 HydrophobicContact CD2-CG1 4.38Å
562	Y	95.5	Very high	93.4	Very high	147 Å²	147	78.9 Å²	78.9	58%	0.576	36%	0.363	S	S	*	.	H	α-helix	trans	-61.3	-41.8	176.7	174.9	-99.6	0	0	0	112.7	R558 Q559 V560 E565 K566	R558-Y562 WeakPolarHBondContact O-CB 3.43Å; R558-Y562 PolarHBondContact O-N 3.04Å; Q559-Y562 PolarHBondContact O-N 3.31Å; V560-Y562 PolarHBondContact O-N 3.02Å; Y562-E565 PolarHBondContact O-N 2.92Å; Y562-K566 WeakPolarHBondContact O-CB 3.47Å; Y562-K566 PolarHBondContact O-N 3.13Å
563	T	93.9	Very high	93.5	Very high	28 Å²	28	76.1 Å²	76.1	17%	0.172	35%	0.35	C	S	.	.	H	α-helix	trans	-67.1	-39.8	176.8	-57.7	0	0	0	0	111.7	Q559 V560 L561 K566 M567	Q559-T563 PolarHBondContact NE2-OG1 3.34Å; Q559-T563 PolarHBondContact O-N 3.44Å; Q559-T563 PolarHBondContact O-OG1 2.81Å; Q559-T563 VanDerWaalsContact O-OG1 3.13Å; V560-T563 PolarHBondContact O-N 3.49Å; L561-T563 PolarHBondContact O-N 3.45Å; T563-K566 PolarHBondContact O-N 2.94Å; T563-M567 HydrophobicContact CG2-CG 4.49Å; T563-M567 HydrophobicContact CG2-SD 4.1Å; T563-M567 WeakPolarHBondContact O-CG 3.39Å; T563-M567 PolarHBondContact O-N 3.37Å
564	V	95.9	Very high	93.8	Very high	1 Å²	1	71.2 Å²	71.2	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-59.5	-48.7	173.4	169.1	0	0	0	0	110.7	V560 L561 K566 M567 Y568 I624 V627 K629 L633	V560-V564 HydrophobicContact CG1-CG2 4.42Å; V560-V564 VanDerWaalsContact O-CG2 3.27Å; V560-V564 WeakPolarHBondContact O-CG2 3.49Å; V560-V564 PolarHBondContact O-N 3.14Å; L561-V564 PolarHBondContact O-N 3.33Å; V564-K566 PolarHBondContact O-N 2.91Å; V564-M567 PolarHBondContact O-N 3.01Å; V564-Y568 WeakPolarHBondContact O-CB 3.49Å; V564-Y568 PolarHBondContact O-N 3.34Å; V564-I624 HydrophobicContact CG2-CG2 4.27Å; V564-V627 HydrophobicContact CG2-CG2 4.23Å; V564-K629 HydrophobicContact CG1-CB 4.48Å; V564-K629 HydrophobicContact CG1-CG 4.22Å; V564-L633 HydrophobicContact CG1-CD2 4.18Å
565	E	96.2	Very high	94	Very high	85 Å²	85	65.7 Å²	65.7	40%	0.397	30%	0.302	S	S	.	.	H	α-helix	trans	-62.3	-41.8	176.9	-65.4	-52.7	139.1	0	0	112.5	L561 Y562 M567 Y568 S569 K629	L561-E565 WeakPolarHBondContact O-CG 3.46Å; L561-E565 PolarHBondContact O-N 3.5Å; Y562-E565 PolarHBondContact O-N 2.92Å; E565-M567 PolarHBondContact O-N 3.1Å; E565-Y568 PolarHBondContact O-N 3.28Å; E565-S569 PolarHBondContact O-N 2.95Å; E565-S569 PolarHBondContact O-OG 3.3Å; E565-K629 WeakPolarHBondContact OE1-CD 3.46Å; E565-K629 WeakPolarHBondContact OE1-CE 3.46Å; E565-K629 IonicContact OE1-NZ 3.19Å; E565-K629 PolarHBondContact OE1-NZ 2.94Å; E565-K629 IonicContact OE2-NZ 2.65Å; E565-K629 PolarHBondContact OE2-NZ 3.19Å
566	K	94.9	Very high	93.8	Very high	117 Å²	117	65 Å²	65	51%	0.509	30%	0.298	S	S	.	.	H	α-helix	trans	-58.8	-46.5	176.4	-172.4	-160.8	171.5	-156.1	0	111.5	Y562 T563 V564 L570	Y562-K566 WeakPolarHBondContact O-CB 3.47Å; Y562-K566 PolarHBondContact O-N 3.13Å; T563-K566 PolarHBondContact O-N 2.94Å; V564-K566 PolarHBondContact O-N 2.91Å; K566-L570 PolarHBondContact O-N 3.15Å
567	M	95.2	Very high	93.8	Very high	3 Å²	3	61.3 Å²	61.3	2%	0.015	28%	0.282	C	S	.	.	H	α-helix	trans	-68.7	-36.6	178	-70.6	176.7	70.6	0	0	112	T563 V564 E565 L570 L571 L607 I624 L633 L637	T563-M567 HydrophobicContact CG2-CG 4.49Å; T563-M567 HydrophobicContact CG2-SD 4.1Å; T563-M567 WeakPolarHBondContact O-CG 3.39Å; T563-M567 PolarHBondContact O-N 3.37Å; V564-M567 PolarHBondContact O-N 3.01Å; E565-M567 PolarHBondContact O-N 3.1Å; M567-L570 PolarHBondContact O-N 2.81Å; M567-L571 WeakPolarHBondContact O-CB 3.45Å; M567-L571 PolarHBondContact O-N 2.98Å; M567-L607 HydrophobicContact CE-CD2 3.89Å; M567-L607 HydrophobicContact CE-CG 4.07Å; M567-I624 HydrophobicContact CE-CD1 3.94Å; M567-I624 HydrophobicContact SD-CD1 3.59Å; M567-I624 VanDerWaalsContact SD-CD1 3.59Å; M567-I624 HydrophobicContact SD-CG1 4.4Å; M567-L633 HydrophobicContact CB-CD1 4.34Å; M567-L633 HydrophobicContact CB-CD2 3.8Å; M567-L633 HydrophobicContact CE-CD2 4.48Å; M567-L633 HydrophobicContact SD-CD2 4.47Å; M567-L637 HydrophobicContact CE-CD2 4.07Å
568	Y	96.5	Very high	93.5	Very high	27 Å²	27	60.8 Å²	60.8	11%	0.106	29%	0.286	C	S	.	.	H	α-helix	trans	-64.8	-42.4	178.5	-139.9	-72.4	0	0	0	111.9	V564 E565 L570 L571 L572 K629 L633 R636	V564-Y568 WeakPolarHBondContact O-CB 3.49Å; V564-Y568 PolarHBondContact O-N 3.34Å; E565-Y568 PolarHBondContact O-N 3.28Å; Y568-L570 VanDerWaalsContact C-N 3.34Å; Y568-L570 PolarHBondContact O-N 2.74Å; Y568-L571 PolarHBondContact O-N 2.89Å; Y568-L572 HydrophobicContact CD1-CD1 4.04Å; Y568-L572 HydrophobicContact CD1-CG 4.13Å; Y568-L572 HydrophobicContact CE1-CD1 4.43Å; Y568-L572 HydrophobicContact CE1-CD2 4.4Å; Y568-L572 HydrophobicContact CE1-CG 4.4Å; Y568-L572 WeakPolarHBondContact O-CG 2.83Å; Y568-L572 PolarHBondContact O-N 3.12Å; Y568-K629 HydrophobicContact CD2-CD 4.31Å; Y568-K629 VanDerWaalsContact CD2-CE 3.47Å; Y568-K629 HydrophobicContact CD2-CG 3.94Å; Y568-K629 HydrophobicContact CE2-CD 4.43Å; Y568-K629 HydrophobicContact CE2-CG 3.79Å; Y568-L633 HydrophobicContact CD2-CB 3.98Å; Y568-L633 HydrophobicContact CD2-CD1 3.8Å; Y568-L633 HydrophobicContact CD2-CG 4.36Å; Y568-L633 HydrophobicContact CE2-CB 4.08Å; Y568-L633 HydrophobicContact CE2-CD1 4.38Å; Y568-L633 HydrophobicContact CG-CD1 4.25Å; Y568-R636 PolarHBondContact OH-NH1 2.8Å
569	S	94.6	Very high	93	Very high	69 Å²	69	58.5 Å²	58.5	48%	0.483	28%	0.28	S	S	.	.	H	α-helix	trans	-58.2	-45.6	174.5	-61.9	0	0	0	0	112.1	E565 L572 E573	E565-S569 PolarHBondContact O-N 2.95Å; E565-S569 PolarHBondContact O-OG 3.3Å; S569-L572 PolarHBondContact O-N 3.11Å; S569-E573 PolarHBondContact O-N 3.4Å; S569-E573 VanDerWaalsContact O-N 3.14Å
570	L	93.9	Very high	92.5	Very high	20 Å²	20	57.8 Å²	57.8	11%	0.105	27%	0.273	C	S	.	.	H	α-helix	trans	-69.6	-33.9	179.9	-170.2	66	0	0	0	112.4	K566 M567 Y568 L572 E573 V574 N599 Q602 L603	K566-L570 PolarHBondContact O-N 3.15Å; M567-L570 PolarHBondContact O-N 2.81Å; Y568-L570 VanDerWaalsContact C-N 3.34Å; Y568-L570 PolarHBondContact O-N 2.74Å; L570-L572 VanDerWaalsContact C-N 3.35Å; L570-E573 PolarHBondContact O-N 3.48Å; L570-V574 PolarHBondContact O-N 2.89Å; L570-N599 HydrophobicContact CD1-CB 3.79Å; L570-Q602 HydrophobicContact CD2-CB 3.65Å; L570-L603 HydrophobicContact CB-CD2 3.9Å; L570-L603 HydrophobicContact CB-CG 4.37Å; L570-L603 HydrophobicContact CD2-CD2 3.87Å; L570-L603 HydrophobicContact CD2-CG 3.77Å; L570-L603 HydrophobicContact CG-CD2 3.91Å; L570-L603 HydrophobicContact CG-CG 3.84Å
571	L	95.6	Very high	92.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-64.9	-38.7	174.1	-179.3	62.7	0	0	0	111.7	M567 Y568 V574 Q575 L603 L633 R636 L637 F640	M567-L571 WeakPolarHBondContact O-CB 3.45Å; M567-L571 PolarHBondContact O-N 2.98Å; Y568-L571 PolarHBondContact O-N 2.89Å; L571-V574 PolarHBondContact O-N 2.82Å; L571-Q575 HydrophobicContact CD1-CG 4.15Å; L571-Q575 HydrophobicContact CG-CG 4.37Å; L571-Q575 WeakPolarHBondContact O-CB 3.34Å; L571-Q575 VanDerWaalsContact O-CG 3.32Å; L571-Q575 WeakPolarHBondContact O-CG 3.48Å; L571-Q575 PolarHBondContact O-N 2.89Å; L571-L603 HydrophobicContact CB-CD1 4.46Å; L571-L603 HydrophobicContact CB-CD2 4.24Å; L571-L603 HydrophobicContact CD1-CD1 4.1Å; L571-L633 HydrophobicContact CB-CD1 4.38Å; L571-L633 HydrophobicContact CD2-CD1 3.69Å; L571-R636 HydrophobicContact CD2-CB 3.79Å; L571-L637 HydrophobicContact CD1-CD1 4.11Å; L571-F640 HydrophobicContact CD1-CD2 4.24Å
572	L	92.9	Very high	91.6	Very high	67 Å²	67	61.7 Å²	61.7	35%	0.351	30%	0.295	S	S	.	.	H	α-helix	trans	-66.1	-41.1	174.6	-66.8	171.4	0	0	0	111.5	Y568 S569 L570 V574 Q575 D576	Y568-L572 HydrophobicContact CD1-CD1 4.04Å; Y568-L572 HydrophobicContact CD1-CG 4.13Å; Y568-L572 HydrophobicContact CE1-CD1 4.43Å; Y568-L572 HydrophobicContact CE1-CD2 4.4Å; Y568-L572 HydrophobicContact CE1-CG 4.4Å; Y568-L572 WeakPolarHBondContact O-CG 2.83Å; Y568-L572 PolarHBondContact O-N 3.12Å; S569-L572 PolarHBondContact O-N 3.11Å; L570-L572 VanDerWaalsContact C-N 3.35Å; L572-V574 PolarHBondContact O-N 2.82Å; L572-Q575 PolarHBondContact O-N 3.01Å; L572-D576 PolarHBondContact O-N 3.09Å
573	E	91.5	Very high	91	Very high	81 Å²	81	58.9 Å²	58.9	38%	0.379	29%	0.287	S	S	.	.	H	α-helix	trans	-59.4	-32.6	174.3	-75.3	-171.9	-145.5	0	0	113.6	S569 L570 N599	S569-E573 PolarHBondContact O-N 3.4Å; S569-E573 VanDerWaalsContact O-N 3.14Å; L570-E573 PolarHBondContact O-N 3.48Å; E573-N599 PolarHBondContact OE2-ND2 3.34Å
574	V	93.4	Very high	90.6	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.018	29%	0.286	C	S	.	.	H	α-helix	trans	-77.2	-44.3	174.7	166.6	0	0	0	0	111.3	L570 L571 L572 D576 F577 N599 L603 F640	L570-V574 PolarHBondContact O-N 2.89Å; L571-V574 PolarHBondContact O-N 2.82Å; L572-V574 PolarHBondContact O-N 2.82Å; V574-D576 PolarHBondContact O-N 3.37Å; V574-F577 WeakPolarHBondContact O-CB 3.34Å; V574-F577 PolarHBondContact O-N 3.2Å; V574-F577 VanDerWaalsContact O-N 3.16Å; V574-N599 HydrophobicContact CG2-CB 3.75Å; V574-L603 HydrophobicContact CB-CD1 4.05Å; V574-L603 HydrophobicContact CG1-CD1 4.37Å; V574-L603 HydrophobicContact CG2-CD1 3.71Å; V574-F640 HydrophobicContact CG1-CD1 3.5Å; V574-F640 HydrophobicContact CG1-CE1 3.89Å; V574-F640 HydrophobicContact CG1-CG 4.19Å
575	Q	91.9	Very high	90.1	Very high	49 Å²	49	62.2 Å²	62.2	23%	0.229	31%	0.309	C	S	.	.	H	α-helix	trans	-69.9	-28.6	-178.6	-73.1	-179.7	-11	0	0	113.7	L571 L572 R636 F640	L571-Q575 HydrophobicContact CD1-CG 4.15Å; L571-Q575 HydrophobicContact CG-CG 4.37Å; L571-Q575 WeakPolarHBondContact O-CB 3.34Å; L571-Q575 VanDerWaalsContact O-CG 3.32Å; L571-Q575 WeakPolarHBondContact O-CG 3.48Å; L571-Q575 PolarHBondContact O-N 2.89Å; L572-Q575 PolarHBondContact O-N 3.01Å; Q575-R636 PolarHBondContact NE2-O 3.31Å; Q575-F640 HydrophobicContact CG-CE1 4.3Å; Q575-F640 HydrophobicContact CG-CE2 3.9Å; Q575-F640 HydrophobicContact CG-CZ 3.64Å; Q575-F640 VanDerWaalsContact NE2-CE2 3.27Å
576	D	88.9	Confident	89.6	Confident	57 Å²	57	65.6 Å²	65.6	31%	0.305	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	5.4	173.5	-70.4	-43.1	0	0	0	113.5	L572 V574 E578 K579 R580	L572-D576 PolarHBondContact O-N 3.09Å; V574-D576 PolarHBondContact O-N 3.37Å; D576-E578 PolarHBondContact O-N 2.84Å; D576-K579 PolarHBondContact O-N 3.24Å; D576-K579 WeakPolarHBondContact OD1-CD 3.25Å; D576-K579 WeakPolarHBondContact OD1-CE 3.45Å; D576-K579 IonicContact OD1-NZ 2.56Å; D576-K579 PolarHBondContact OD1-NZ 3.05Å; D576-R580 WeakPolarHBondContact O-CG 3.45Å; D576-R580 PolarHBondContact O-N 3.29Å; D576-R580 VanDerWaalsContact O-N 3.08Å
577	F	89.6	Confident	89.4	Confident	35 Å²	35	69 Å²	69	15%	0.154	34%	0.342	C	S	.	.	H	α-helix	trans	-56.8	-48.7	-179.7	168.4	-112.2	0	0	0	113.1	V574 K579 R580 F581 L592 M593 H596	V574-F577 WeakPolarHBondContact O-CB 3.34Å; V574-F577 PolarHBondContact O-N 3.2Å; V574-F577 VanDerWaalsContact O-N 3.16Å; F577-K579 VanDerWaalsContact C-N 3.33Å; F577-K579 PolarHBondContact O-N 2.96Å; F577-R580 CarbonylContact O-C 3.54Å; F577-R580 WeakPolarHBondContact O-CB 3.28Å; F577-R580 PolarHBondContact O-N 2.8Å; F577-R580 VanDerWaalsContact O-N 3.09Å; F577-F581 HydrophobicContact CD2-CB 4.48Å; F577-F581 HydrophobicContact CE1-CB 4.46Å; F577-F581 HydrophobicContact CE1-CD2 4.41Å; F577-F581 HydrophobicContact CE2-CB 4.08Å; F577-F581 AromaticContact CE2-CD2 3.84Å; F577-F581 HydrophobicContact CE2-CD2 3.84Å; F577-F581 HydrophobicContact CE2-CG 4.36Å; F577-F581 HydrophobicContact CZ-CB 4.07Å; F577-F581 AromaticContact CZ-CD2 3.51Å; F577-F581 HydrophobicContact CZ-CD2 3.51Å; F577-F581 HydrophobicContact CZ-CE2 4.2Å; F577-F581 HydrophobicContact CZ-CG 4Å; F577-F581 WeakPolarHBondContact O-CB 3.14Å; F577-F581 PolarHBondContact O-N 3.23Å; F577-L592 HydrophobicContact CD2-CD2 4.16Å; F577-L592 HydrophobicContact CD2-CG 4.24Å; F577-L592 HydrophobicContact CE2-CD2 3.88Å; F577-L592 HydrophobicContact CE2-CG 3.92Å; F577-M593 HydrophobicContact CZ-CB 4.48Å; F577-H596 WeakPolarHBondContact CB-CD2 3.42Å; F577-H596 HydrophobicContact CD1-CB 4.28Å; F577-H596 AromaticContact CD1-CD2 3.67Å; F577-H596 AromaticContact CD1-CE1 3.71Å; F577-H596 AromaticContact CD1-CG 3.6Å; F577-H596 AromaticContact CD1-ND1 3.63Å; F577-H596 AromaticContact CD1-NE2 3.73Å; F577-H596 HydrophobicContact CD2-CB 3.45Å; F577-H596 VanDerWaalsContact CD2-CB 3.45Å; F577-H596 AromaticContact CD2-CD2 3.88Å; F577-H596 AromaticContact CD2-CG 3.63Å; F577-H596 HydrophobicContact CE1-CB 4.37Å; F577-H596 AromaticContact CE1-CG 3.93Å; F577-H596 AromaticContact CE1-ND1 3.72Å; F577-H596 HydrophobicContact CE2-CB 3.53Å; F577-H596 AromaticContact CE2-CG 3.93Å; F577-H596 HydrophobicContact CG-CB 3.84Å; F577-H596 AromaticContact CG-CD2 3.34Å; F577-H596 WeakPolarHBondContact CG-CD2 3.47Å; F577-H596 AromaticContact CG-CG 3.43Å; F577-H596 VanDerWaalsContact CG-CG 3.43Å; F577-H596 AromaticContact CG-ND1 3.98Å; F577-H596 AromaticContact CG-NE2 3.84Å; F577-H596 HydrophobicContact CZ-CB 4.01Å
578	E	86.3	Confident	89.1	Confident	150 Å²	150	73.4 Å²	73.4	70%	0.701	37%	0.366	S	S	*	.	H	α-helix	trans	-59.6	-44.7	-178.1	-174.5	179.4	-165.4	0	0	111.4	D576 R580 F581 V582	D576-E578 PolarHBondContact O-N 2.84Å; E578-R580 VanDerWaalsContact C-N 3.27Å; E578-R580 PolarHBondContact O-N 3.32Å; E578-F581 PolarHBondContact O-N 2.9Å; E578-V582 WeakPolarHBondContact O-CG2 3.17Å; E578-V582 PolarHBondContact O-N 3.11Å
579	K	83.2	Confident	88.9	Confident	96 Å²	96	75.4 Å²	75.4	42%	0.417	37%	0.373	S	S	.	.	H	α-helix	trans	-59.8	-37.8	176.5	-57	175.7	-167.5	162.4	0	111.8	D576 F577 Q583	D576-K579 PolarHBondContact O-N 3.24Å; D576-K579 WeakPolarHBondContact OD1-CD 3.25Å; D576-K579 WeakPolarHBondContact OD1-CE 3.45Å; D576-K579 IonicContact OD1-NZ 2.56Å; D576-K579 PolarHBondContact OD1-NZ 3.05Å; F577-K579 VanDerWaalsContact C-N 3.33Å; F577-K579 PolarHBondContact O-N 2.96Å; K579-Q583 WeakPolarHBondContact O-CG 3.44Å; K579-Q583 PolarHBondContact O-NE2 3.23Å
580	R	82.9	Confident	88.7	Confident	86 Å²	86	78.5 Å²	78.5	33%	0.325	38%	0.384	S	S	.	.	H	α-helix	trans	-72	-47.7	175.6	-69	172.4	63.9	-156	-3.1	111.2	D576 F577 E578 V582 Q583 T584 L592	D576-R580 WeakPolarHBondContact O-CG 3.45Å; D576-R580 PolarHBondContact O-N 3.29Å; D576-R580 VanDerWaalsContact O-N 3.08Å; F577-R580 CarbonylContact O-C 3.54Å; F577-R580 WeakPolarHBondContact O-CB 3.28Å; F577-R580 PolarHBondContact O-N 2.8Å; F577-R580 VanDerWaalsContact O-N 3.09Å; E578-R580 VanDerWaalsContact C-N 3.27Å; E578-R580 PolarHBondContact O-N 3.32Å; R580-V582 VanDerWaalsContact C-N 3.33Å; R580-V582 PolarHBondContact O-N 3.29Å; R580-Q583 CarbonylContact O-C 3.59Å; R580-Q583 WeakPolarHBondContact O-CA 3.37Å; R580-Q583 PolarHBondContact O-N 3Å; R580-T584 PolarHBondContact O-N 2.7Å; R580-T584 PolarHBondContact O-OG1 2.98Å; R580-T584 VanDerWaalsContact O-OG1 3.1Å; R580-L592 HydrophobicContact CB-CD2 4.2Å
581	F	86.8	Confident	88.6	Confident	67 Å²	67	80.8 Å²	80.8	29%	0.294	41%	0.406	S	S	.	.	H	α-helix	trans	-58.9	-39.2	-177.5	-174	-92.7	0	0	0	113.3	F577 E578 Q583 R589 L592	F577-F581 HydrophobicContact CD2-CB 4.48Å; F577-F581 HydrophobicContact CE1-CB 4.46Å; F577-F581 HydrophobicContact CE1-CD2 4.41Å; F577-F581 HydrophobicContact CE2-CB 4.08Å; F577-F581 AromaticContact CE2-CD2 3.84Å; F577-F581 HydrophobicContact CE2-CD2 3.84Å; F577-F581 HydrophobicContact CE2-CG 4.36Å; F577-F581 HydrophobicContact CZ-CB 4.07Å; F577-F581 AromaticContact CZ-CD2 3.51Å; F577-F581 HydrophobicContact CZ-CD2 3.51Å; F577-F581 HydrophobicContact CZ-CE2 4.2Å; F577-F581 HydrophobicContact CZ-CG 4Å; F577-F581 WeakPolarHBondContact O-CB 3.14Å; F577-F581 PolarHBondContact O-N 3.23Å; E578-F581 PolarHBondContact O-N 2.9Å; F581-Q583 VanDerWaalsContact C-N 3.3Å; F581-Q583 PolarHBondContact O-N 3.28Å; F581-R589 HydrophobicContact CD2-CB 4.4Å; F581-R589 HydrophobicContact CD2-CG 4.22Å; F581-R589 HydrophobicContact CE2-CB 3.76Å; F581-R589 HydrophobicContact CE2-CG 3.9Å; F581-R589 HydrophobicContact CZ-CB 4.2Å; F581-R589 HydrophobicContact CZ-CG 4.18Å; F581-R589 PolarHBondContact O-NE 3.14Å; F581-L592 HydrophobicContact CB-CD2 4.04Å; F581-L592 HydrophobicContact CD2-CD2 4.24Å
582	V	84.6	Confident	88.4	Confident	107 Å²	107	81.5 Å²	81.5	65%	0.648	41%	0.41	S	S	*	.	H	α-helix	trans	-64.8	-32.8	173.9	171.3	0	0	0	0	112.4	E578 R580	E578-V582 WeakPolarHBondContact O-CG2 3.17Å; E578-V582 PolarHBondContact O-N 3.11Å; R580-V582 VanDerWaalsContact C-N 3.33Å; R580-V582 PolarHBondContact O-N 3.29Å
583	Q	81.3	Confident	88.4	Confident	88 Å²	88	83.8 Å²	83.8	41%	0.411	42%	0.42	S	S	.	.	H	α-helix	trans	-87.5	-26.8	-179.2	-67.5	179.1	91.2	0	0	113.2	K579 R580 F581	K579-Q583 WeakPolarHBondContact O-CG 3.44Å; K579-Q583 PolarHBondContact O-NE2 3.23Å; R580-Q583 CarbonylContact O-C 3.59Å; R580-Q583 WeakPolarHBondContact O-CA 3.37Å; R580-Q583 PolarHBondContact O-N 3Å; F581-Q583 VanDerWaalsContact C-N 3.3Å; F581-Q583 PolarHBondContact O-N 3.28Å
584	T	85.8	Confident	88.5	Confident	26 Å²	26	86.7 Å²	86.7	16%	0.16	43%	0.434	C	S	.	.	S	Bend	trans	-67.6	135.7	178.1	-69.8	0	0	0	0	111.6	R580 D588 R589 L592	R580-T584 PolarHBondContact O-N 2.7Å; R580-T584 PolarHBondContact O-OG1 2.98Å; R580-T584 VanDerWaalsContact O-OG1 3.1Å; T584-D588 HydrophobicContact CG2-CB 3.57Å; T584-R589 HydrophobicContact CG2-CG 4.1Å; T584-R589 PolarHBondContact O-NE 3.02Å; T584-R589 PolarHBondContact O-NH2 2.91Å; T584-L592 HydrophobicContact CG2-CD2 4.32Å
585	P	85.7	Confident	88.4	Confident	74 Å²	74	90.3 Å²	90.3	48%	0.481	45%	0.451	S	S	.	.			trans	-66.4	153.5	174.9	30.5	-36.8	0	0	0	111	E587 D588 R589	P585-E587 PolarHBondContact O-N 3.16Å; P585-E587 VanDerWaalsContact O-N 3.15Å; P585-D588 HydrophobicContact CG-CB 4.27Å; P585-D588 WeakPolarHBondContact CG-OD2 3.37Å; P585-D588 PolarHBondContact O-N 2.92Å; P585-R589 PolarHBondContact O-N 2.87Å
586	E	86.1	Confident	88.5	Confident	155 Å²	155	90.1 Å²	90.1	72%	0.724	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-57.5	-34.4	-171.7	-161.9	166.3	162.1	0	0	113.6	D588 R589	E586-D588 VanDerWaalsContact C-N 3.27Å; E586-D588 PolarHBondContact O-N 2.88Å; E586-R589 PolarHBondContact O-N 2.69Å; E586-R589 IonicContact OE2-NH1 1.73Å
587	E	89.6	Confident	88.6	Confident	190 Å²	190	93 Å²	93	89%	0.888	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-61.2	-28.8	177.6	-61.7	175	-164.7	0	0	113.9	P585	P585-E587 PolarHBondContact O-N 3.16Å; P585-E587 VanDerWaalsContact O-N 3.15Å
588	D	90.3	Very high	88.8	Confident	95 Å²	95	93.7 Å²	93.7	51%	0.508	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-100.6	-4.8	-177.3	-72	-44.3	0	0	0	113.1	T584 P585 E586 A591 L592	T584-D588 HydrophobicContact CG2-CB 3.57Å; P585-D588 HydrophobicContact CG-CB 4.27Å; P585-D588 WeakPolarHBondContact CG-OD2 3.37Å; P585-D588 PolarHBondContact O-N 2.92Å; E586-D588 VanDerWaalsContact C-N 3.27Å; E586-D588 PolarHBondContact O-N 2.88Å; D588-A591 PolarHBondContact O-N 2.96Å; D588-L592 PolarHBondContact O-N 2.79Å
589	R	91	Very high	89.2	Confident	68 Å²	68	87.1 Å²	87.1	26%	0.257	44%	0.438	S	S	.	.	H	α-helix	trans	-67.2	-39.3	-171.4	-79.2	-176.7	-173.1	135.2	9	113.8	F581 T584 P585 E586 A591 L592 M593	F581-R589 HydrophobicContact CD2-CB 4.4Å; F581-R589 HydrophobicContact CD2-CG 4.22Å; F581-R589 HydrophobicContact CE2-CB 3.76Å; F581-R589 HydrophobicContact CE2-CG 3.9Å; F581-R589 HydrophobicContact CZ-CB 4.2Å; F581-R589 HydrophobicContact CZ-CG 4.18Å; F581-R589 PolarHBondContact O-NE 3.14Å; T584-R589 HydrophobicContact CG2-CG 4.1Å; T584-R589 PolarHBondContact O-NE 3.02Å; T584-R589 PolarHBondContact O-NH2 2.91Å; P585-R589 PolarHBondContact O-N 2.87Å; E586-R589 PolarHBondContact O-N 2.69Å; E586-R589 IonicContact OE2-NH1 1.73Å; R589-A591 VanDerWaalsContact C-N 3.35Å; R589-A591 PolarHBondContact O-N 3.02Å; R589-L592 PolarHBondContact O-N 3.03Å; R589-M593 WeakPolarHBondContact O-CB 3.27Å; R589-M593 PolarHBondContact O-N 2.94Å
590	D	91.1	Very high	89.6	Confident	134 Å²	134	84 Å²	84	72%	0.717	43%	0.427	S	S	*	.	H	α-helix	trans	-63.4	-43.2	179.4	-66.9	-16.3	0	0	0	110.9	L592 M593 E594	D590-L592 PolarHBondContact O-N 3.48Å; D590-M593 PolarHBondContact O-N 3.11Å; D590-E594 PolarHBondContact O-N 3.19Å
591	A	92.4	Very high	90	Very high	68 Å²	68	84 Å²	84	56%	0.562	43%	0.431	S	S	*	.	H	α-helix	trans	-65.2	-38	175.7	0	0	0	0	0	112.3	D588 R589 Q595	D588-A591 PolarHBondContact O-N 2.96Å; R589-A591 VanDerWaalsContact C-N 3.35Å; R589-A591 PolarHBondContact O-N 3.02Å; A591-Q595 WeakPolarHBondContact O-CB 3.13Å; A591-Q595 PolarHBondContact O-N 2.95Å
592	L	91.5	Very high	90.2	Very high	16 Å²	16	85.1 Å²	85.1	8%	0.084	44%	0.437	C	S	.	.	H	α-helix	trans	-67.3	-36.9	174.1	-165.1	79.4	0	0	0	111.9	F577 R580 F581 T584 D588 R589 D590 Q595 H596	F577-L592 HydrophobicContact CD2-CD2 4.16Å; F577-L592 HydrophobicContact CD2-CG 4.24Å; F577-L592 HydrophobicContact CE2-CD2 3.88Å; F577-L592 HydrophobicContact CE2-CG 3.92Å; R580-L592 HydrophobicContact CB-CD2 4.2Å; F581-L592 HydrophobicContact CB-CD2 4.04Å; F581-L592 HydrophobicContact CD2-CD2 4.24Å; T584-L592 HydrophobicContact CG2-CD2 4.32Å; D588-L592 PolarHBondContact O-N 2.79Å; R589-L592 PolarHBondContact O-N 3.03Å; D590-L592 PolarHBondContact O-N 3.48Å; L592-Q595 PolarHBondContact O-N 3.33Å; L592-H596 WeakPolarHBondContact O-CB 3.41Å; L592-H596 PolarHBondContact O-N 2.66Å
593	M	91.9	Very high	90.5	Very high	114 Å²	114	80 Å²	80	56%	0.562	41%	0.406	S	S	*	.	H	α-helix	trans	-69.1	-39.9	177.7	-171.2	175.8	-177.6	0	0	111.6	F577 R589 D590 H596 K597	F577-M593 HydrophobicContact CZ-CB 4.48Å; R589-M593 WeakPolarHBondContact O-CB 3.27Å; R589-M593 PolarHBondContact O-N 2.94Å; D590-M593 PolarHBondContact O-N 3.11Å; M593-H596 PolarHBondContact O-N 3.29Å; M593-K597 WeakPolarHBondContact O-CB 3.44Å; M593-K597 PolarHBondContact O-N 3.25Å
594	E	93.6	Very high	90.8	Very high	142 Å²	142	76.2 Å²	76.2	66%	0.664	39%	0.389	S	S	*	.	H	α-helix	trans	-69.7	-36.5	173.5	-170.8	155.3	-122.7	0	0	112	D590 K597 S598	D590-E594 PolarHBondContact O-N 3.19Å; E594-K597 PolarHBondContact O-N 2.75Å; E594-S598 WeakPolarHBondContact O-CB 3.44Å; E594-S598 PolarHBondContact O-N 3.12Å
595	Q	92.6	Very high	90.9	Very high	80 Å²	80	79.1 Å²	79.1	37%	0.374	40%	0.404	S	S	.	.	H	α-helix	trans	-59.7	-47.1	168.5	-176	-176	0.2	0	0	111.3	A591 L592 K597 S598 N599	A591-Q595 WeakPolarHBondContact O-CB 3.13Å; A591-Q595 PolarHBondContact O-N 2.95Å; L592-Q595 PolarHBondContact O-N 3.33Å; Q595-K597 PolarHBondContact O-N 2.7Å; Q595-S598 PolarHBondContact O-N 3.39Å; Q595-N599 WeakPolarHBondContact O-CB 3.4Å; Q595-N599 PolarHBondContact O-N 3.06Å
596	H	93.1	Very high	91.1	Very high	45 Å²	45	76.9 Å²	76.9	21%	0.208	39%	0.39	C	S	.	.	H	α-helix	trans	-61.3	-43.1	179.5	172.7	-109.8	0	0	0	112.4	F577 L592 M593 N599 T600	F577-H596 WeakPolarHBondContact CB-CD2 3.42Å; F577-H596 HydrophobicContact CD1-CB 4.28Å; F577-H596 AromaticContact CD1-CD2 3.67Å; F577-H596 AromaticContact CD1-CE1 3.71Å; F577-H596 AromaticContact CD1-CG 3.6Å; F577-H596 AromaticContact CD1-ND1 3.63Å; F577-H596 AromaticContact CD1-NE2 3.73Å; F577-H596 HydrophobicContact CD2-CB 3.45Å; F577-H596 VanDerWaalsContact CD2-CB 3.45Å; F577-H596 AromaticContact CD2-CD2 3.88Å; F577-H596 AromaticContact CD2-CG 3.63Å; F577-H596 HydrophobicContact CE1-CB 4.37Å; F577-H596 AromaticContact CE1-CG 3.93Å; F577-H596 AromaticContact CE1-ND1 3.72Å; F577-H596 HydrophobicContact CE2-CB 3.53Å; F577-H596 AromaticContact CE2-CG 3.93Å; F577-H596 HydrophobicContact CG-CB 3.84Å; F577-H596 AromaticContact CG-CD2 3.34Å; F577-H596 WeakPolarHBondContact CG-CD2 3.47Å; F577-H596 AromaticContact CG-CG 3.43Å; F577-H596 VanDerWaalsContact CG-CG 3.43Å; F577-H596 AromaticContact CG-ND1 3.98Å; F577-H596 AromaticContact CG-NE2 3.84Å; F577-H596 HydrophobicContact CZ-CB 4.01Å; L592-H596 WeakPolarHBondContact O-CB 3.41Å; L592-H596 PolarHBondContact O-N 2.66Å; M593-H596 PolarHBondContact O-N 3.29Å; H596-N599 PolarHBondContact O-N 3.27Å; H596-T600 WeakPolarHBondContact O-CB 3.26Å; H596-T600 PolarHBondContact O-N 3.36Å; H596-T600 PolarHBondContact O-OG1 3.02Å
597	K	92.4	Very high	91.1	Very high	116 Å²	116	69.5 Å²	69.5	50%	0.504	36%	0.356	S	S	.	.	H	α-helix	trans	-57.9	-51.5	172.6	178.9	-177.8	164.7	-173.4	0	110.9	M593 E594 Q595 N599 T600 E601	M593-K597 WeakPolarHBondContact O-CB 3.44Å; M593-K597 PolarHBondContact O-N 3.25Å; E594-K597 PolarHBondContact O-N 2.75Å; Q595-K597 PolarHBondContact O-N 2.7Å; K597-N599 VanDerWaalsContact C-N 3.32Å; K597-N599 PolarHBondContact O-N 3.42Å; K597-T600 PolarHBondContact O-N 3.48Å; K597-T600 VanDerWaalsContact O-N 3.09Å; K597-E601 WeakPolarHBondContact CE-OE1 3.45Å; K597-E601 IonicContact NZ-OE1 3.99Å; K597-E601 WeakPolarHBondContact O-CG 3.48Å; K597-E601 PolarHBondContact O-N 3.26Å
598	S	93.6	Very high	90.9	Very high	50 Å²	50	62.5 Å²	62.5	35%	0.35	32%	0.323	S	S	.	.	H	α-helix	trans	-62.9	-35.8	179.4	-171.5	0	0	0	0	113.1	E594 Q595 Q602	E594-S598 WeakPolarHBondContact O-CB 3.44Å; E594-S598 PolarHBondContact O-N 3.12Å; Q595-S598 PolarHBondContact O-N 3.39Å; S598-Q602 WeakPolarHBondContact O-CB 3.48Å; S598-Q602 VanDerWaalsContact O-CG 3.24Å; S598-Q602 WeakPolarHBondContact O-CG 3.36Å; S598-Q602 PolarHBondContact O-N 3.22Å; S598-Q602 PolarHBondContact O-NE2 3.28Å; S598-Q602 PolarHBondContact OG-NE2 3.44Å
599	N	93.3	Very high	90.2	Very high	13 Å²	13	61.1 Å²	61.1	7%	0.07	32%	0.316	C	S	.	.	H	α-helix	trans	-65.4	-39.3	173.5	-80.1	10.6	0	0	0	111.7	L570 E573 V574 Q595 H596 K597 Q602 L603	L570-N599 HydrophobicContact CD1-CB 3.79Å; E573-N599 PolarHBondContact OE2-ND2 3.34Å; V574-N599 HydrophobicContact CG2-CB 3.75Å; Q595-N599 WeakPolarHBondContact O-CB 3.4Å; Q595-N599 PolarHBondContact O-N 3.06Å; H596-N599 PolarHBondContact O-N 3.27Å; K597-N599 VanDerWaalsContact C-N 3.32Å; K597-N599 PolarHBondContact O-N 3.42Å; N599-Q602 PolarHBondContact O-N 2.87Å; N599-L603 PolarHBondContact O-N 2.87Å
600	T	92	Very high	88.9	Confident	29 Å²	29	61.7 Å²	61.7	18%	0.178	34%	0.342	C	S	.	.	H	α-helix	trans	-70	-39.3	177.9	-52.7	0	0	0	0	111.7	H596 K597 L603 S604	H596-T600 WeakPolarHBondContact O-CB 3.26Å; H596-T600 PolarHBondContact O-N 3.36Å; H596-T600 PolarHBondContact O-OG1 3.02Å; K597-T600 PolarHBondContact O-N 3.48Å; K597-T600 VanDerWaalsContact O-N 3.09Å; T600-L603 PolarHBondContact O-N 3.35Å; T600-S604 PolarHBondContact O-N 3.2Å; T600-S604 PolarHBondContact O-OG 3.32Å
601	E	90.9	Very high	87.6	Confident	87 Å²	87	62 Å²	62	41%	0.407	34%	0.344	S	S	.	.	H	α-helix	trans	-62.8	-43.6	170.6	-70.1	168.6	166	0	0	110.8	K597 L603 S604 N605	K597-E601 WeakPolarHBondContact CE-OE1 3.45Å; K597-E601 IonicContact NZ-OE1 3.99Å; K597-E601 WeakPolarHBondContact O-CG 3.48Å; K597-E601 PolarHBondContact O-N 3.26Å; E601-L603 VanDerWaalsContact C-N 3.34Å; E601-L603 PolarHBondContact O-N 2.9Å; E601-S604 WeakPolarHBondContact O-CB 3.24Å; E601-S604 PolarHBondContact O-N 2.95Å; E601-N605 WeakPolarHBondContact O-CB 3.35Å; E601-N605 PolarHBondContact O-N 3.28Å; E601-N605 PolarHBondContact O-OD1 2.92Å; E601-N605 VanDerWaalsContact O-OD1 3.04Å
602	Q	91.4	Very high	86.1	Confident	90 Å²	90	66.3 Å²	66.3	42%	0.421	35%	0.346	S	S	.	.	H	α-helix	trans	-64.9	-32.1	175.6	-77.1	173.3	72	0	0	113.8	L570 S598 N599 S606	L570-Q602 HydrophobicContact CD2-CB 3.65Å; S598-Q602 WeakPolarHBondContact O-CB 3.48Å; S598-Q602 VanDerWaalsContact O-CG 3.24Å; S598-Q602 WeakPolarHBondContact O-CG 3.36Å; S598-Q602 PolarHBondContact O-N 3.22Å; S598-Q602 PolarHBondContact O-NE2 3.28Å; S598-Q602 PolarHBondContact OG-NE2 3.44Å; N599-Q602 PolarHBondContact O-N 2.87Å; Q602-S606 WeakPolarHBondContact O-CB 3.44Å; Q602-S606 PolarHBondContact O-N 2.97Å; Q602-S606 VanDerWaalsContact O-N 3.13Å; Q602-S606 PolarHBondContact O-OG 3.45Å
603	L	90.8	Very high	84.5	Confident	1 Å²	1	73.7 Å²	73.7	1%	0.005	38%	0.38	C	S	.	.	H	α-helix	trans	-65.8	-48.3	170.4	-79.4	173.5	0	0	0	111.4	L570 L571 V574 N599 T600 E601 N605 S606 L637	L570-L603 HydrophobicContact CB-CD2 3.9Å; L570-L603 HydrophobicContact CB-CG 4.37Å; L570-L603 HydrophobicContact CD2-CD2 3.87Å; L570-L603 HydrophobicContact CD2-CG 3.77Å; L570-L603 HydrophobicContact CG-CD2 3.91Å; L570-L603 HydrophobicContact CG-CG 3.84Å; L571-L603 HydrophobicContact CB-CD1 4.46Å; L571-L603 HydrophobicContact CB-CD2 4.24Å; L571-L603 HydrophobicContact CD1-CD1 4.1Å; V574-L603 HydrophobicContact CB-CD1 4.05Å; V574-L603 HydrophobicContact CG1-CD1 4.37Å; V574-L603 HydrophobicContact CG2-CD1 3.71Å; N599-L603 PolarHBondContact O-N 2.87Å; T600-L603 PolarHBondContact O-N 3.35Å; E601-L603 VanDerWaalsContact C-N 3.34Å; E601-L603 PolarHBondContact O-N 2.9Å; L603-N605 VanDerWaalsContact C-N 3.34Å; L603-N605 PolarHBondContact O-N 2.98Å; L603-S606 WeakPolarHBondContact O-CB 3.4Å; L603-S606 PolarHBondContact O-N 3.37Å; L603-S606 VanDerWaalsContact O-N 3.12Å; L603-L637 HydrophobicContact CB-CD1 4.04Å; L603-L637 HydrophobicContact CD1-CD1 4.1Å; L603-L637 HydrophobicContact CD2-CD1 4.09Å; L603-L637 HydrophobicContact CG-CD1 4.31Å
604	S	88.2	Confident	83.1	Confident	8 Å²	8	75.4 Å²	75.4	6%	0.056	39%	0.391	C	S	.	.	H	α-helix	trans	-56.4	-49.6	177.6	-55.6	0	0	0	0	110.5	T600 E601 S606 L607 Q645	T600-S604 PolarHBondContact O-N 3.2Å; T600-S604 PolarHBondContact O-OG 3.32Å; E601-S604 WeakPolarHBondContact O-CB 3.24Å; E601-S604 PolarHBondContact O-N 2.95Å; S604-S606 PolarHBondContact O-N 3.39Å; S604-L607 PolarHBondContact O-N 2.97Å; S604-Q645 VanDerWaalsContact CB-OE1 3.3Å; S604-Q645 PolarHBondContact O-NE2 3.19Å
605	N	88.3	Confident	82.4	Confident	86 Å²	86	77 Å²	77	46%	0.46	39%	0.391	S	S	.	.	H	α-helix	trans	-70	-18.5	-179.3	-60.6	11.8	0	0	0	112.9	E601 L603 L607 Q608	E601-N605 WeakPolarHBondContact O-CB 3.35Å; E601-N605 PolarHBondContact O-N 3.28Å; E601-N605 PolarHBondContact O-OD1 2.92Å; E601-N605 VanDerWaalsContact O-OD1 3.04Å; L603-N605 VanDerWaalsContact C-N 3.34Å; L603-N605 PolarHBondContact O-N 2.98Å; N605-L607 PolarHBondContact O-N 3.22Å; N605-Q608 PolarHBondContact O-N 2.94Å; N605-Q608 PolarHBondContact OD1-NE2 3.43Å; N605-Q608 PolarHBondContact OD1-OE1 3.35Å
606	S	88.6	Confident	82.1	Confident	28 Å²	28	73.9 Å²	73.9	20%	0.196	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-7.8	174.7	-64	0	0	0	0	114.1	Q602 L603 S604	Q602-S606 WeakPolarHBondContact O-CB 3.44Å; Q602-S606 PolarHBondContact O-N 2.97Å; Q602-S606 VanDerWaalsContact O-N 3.13Å; Q602-S606 PolarHBondContact O-OG 3.45Å; L603-S606 WeakPolarHBondContact O-CB 3.4Å; L603-S606 PolarHBondContact O-N 3.37Å; L603-S606 VanDerWaalsContact O-N 3.12Å; S604-S606 PolarHBondContact O-N 3.39Å
607	L	86.5	Confident	81.9	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-9	170.2	-71.4	-178.3	0	0	0	114	M567 S604 N605 V616 S617 I624 L637 L641 V649	M567-L607 HydrophobicContact CE-CD2 3.89Å; M567-L607 HydrophobicContact CE-CG 4.07Å; S604-L607 PolarHBondContact O-N 2.97Å; N605-L607 PolarHBondContact O-N 3.22Å; L607-V616 WeakPolarHBondContact O-CA 3.49Å; L607-S617 PolarHBondContact O-N 3.48Å; L607-I624 HydrophobicContact CD2-CD1 3.54Å; L607-L637 HydrophobicContact CD1-CD2 3.67Å; L607-L637 HydrophobicContact CG-CD2 4.19Å; L607-L641 HydrophobicContact CD1-CD1 3.81Å; L607-L641 HydrophobicContact CD1-CD2 4.38Å; L607-V649 HydrophobicContact CD1-CG2 3.84Å
608	Q	85.9	Confident	81.9	Confident	43 Å²	43	69.8 Å²	69.8	20%	0.201	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	159.7	-175.9	-72.9	173.7	-15.2	0	0	112.6	N605 E613 R615	N605-Q608 PolarHBondContact O-N 2.94Å; N605-Q608 PolarHBondContact OD1-NE2 3.43Å; N605-Q608 PolarHBondContact OD1-OE1 3.35Å; Q608-E613 PolarHBondContact NE2-O 2.93Å; Q608-R615 CarbonylContact C-O 3.45Å; Q608-R615 VanDerWaalsContact CA-O 3.23Å; Q608-R615 WeakPolarHBondContact CA-O 3.42Å
609	D	74.3	Confident	81.7	Confident	66 Å²	66	73.6 Å²	73.6	35%	0.353	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	137.1	167.7	-163.4	15.2	0	0	0	111	D611 W612 R615	D609-D611 PolarHBondContact O-N 2.92Å; D609-D611 VanDerWaalsContact O-N 3.14Å; D609-W612 CarbonylContact O-C 3.12Å; D609-W612 PolarHBondContact O-N 3.31Å; D609-R615 PolarHBondContact N-O 3.49Å
610	G	65.3	Low	81.7	Confident	79 Å²	79	75 Å²	75	81%	0.814	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.1	-170.9	0	0	0	0	0	114.3
611	D	63.1	Low	81.7	Confident	140 Å²	140	73.6 Å²	73.6	75%	0.749	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-9.1	178.5	-69.9	-11.7	0	0	0	113	D609	D609-D611 PolarHBondContact O-N 2.92Å; D609-D611 VanDerWaalsContact O-N 3.14Å
612	W	61.8	Low	81.9	Confident	160 Å²	160	70.5 Å²	70.5	61%	0.606	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.3	98.1	-172.1	-58	100.1	0	0	0	113.3	D609 D614 R615	D609-W612 CarbonylContact O-C 3.12Å; D609-W612 PolarHBondContact O-N 3.31Å; W612-D614 PolarHBondContact O-N 3.31Å; W612-R615 HydrophobicContact CB-CB 4Å; W612-R615 HydrophobicContact CB-CG 4.17Å; W612-R615 PolarHBondContact O-N 2.97Å
613	E	57.9	Low	81.9	Confident	170 Å²	170	68.3 Å²	68.3	79%	0.794	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59	-4.9	-174.4	-163.8	167	-151.5	0	0	116.4	Q608	Q608-E613 PolarHBondContact NE2-O 2.93Å
614	D	61.8	Low	82.1	Confident	150 Å²	150	68.4 Å²	68.4	80%	0.802	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	19.1	179.7	-166.4	39	0	0	0	112.9	W612	W612-D614 PolarHBondContact O-N 3.31Å
615	R	78.1	Confident	82.4	Confident	175 Å²	175	68.1 Å²	68.1	66%	0.66	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126	131.9	178.9	-67.5	-171.6	171.3	-138	-6.8	112.4	Q608 D609 W612	Q608-R615 CarbonylContact C-O 3.45Å; Q608-R615 VanDerWaalsContact CA-O 3.23Å; Q608-R615 WeakPolarHBondContact CA-O 3.42Å; D609-R615 PolarHBondContact N-O 3.49Å; W612-R615 HydrophobicContact CB-CB 4Å; W612-R615 HydrophobicContact CB-CG 4.17Å; W612-R615 PolarHBondContact O-N 2.97Å
616	V	85.8	Confident	82.7	Confident	16 Å²	16	65.7 Å²	65.7	10%	0.097	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	131	168.8	177.4	0	0	0	0	109.1	L607 D618 C621 Q645 A648 V649 V652	L607-V616 WeakPolarHBondContact O-CA 3.49Å; V616-D618 PolarHBondContact O-N 2.9Å; V616-C621 HydrophobicContact CG1-CB 4.34Å; V616-Q645 HydrophobicContact CG2-CG 3.48Å; V616-Q645 VanDerWaalsContact CG2-CG 3.48Å; V616-A648 HydrophobicContact CB-CB 4.29Å; V616-A648 HydrophobicContact CG2-CB 3.72Å; V616-V649 HydrophobicContact CG1-CG2 4.07Å; V616-V649 HydrophobicContact CG2-CG2 4.05Å; V616-V652 HydrophobicContact CG1-CG2 4.25Å
617	S	90.7	Very high	82.9	Confident	18 Å²	18	65.7 Å²	65.7	13%	0.126	34%	0.338	C	S	.	.			trans	-79.6	117.4	176	174.9	0	0	0	0	110.9	L607 E619 Q620 C621	L607-S617 PolarHBondContact O-N 3.48Å; S617-E619 VanDerWaalsContact C-N 3.31Å; S617-E619 PolarHBondContact O-N 3.09Å; S617-Q620 PolarHBondContact O-N 3.38Å; S617-Q620 PolarHBondContact OG-N 3.12Å; S617-C621 WeakPolarHBondContact O-CB 3.29Å; S617-C621 PolarHBondContact O-N 3.25Å
618	D	90.8	Very high	83.3	Confident	56 Å²	56	68.7 Å²	68.7	30%	0.299	35%	0.349	S	S	.	.	H	α-helix	trans	-51.2	-50.5	173.1	-80	-76.1	0	0	0	111.4	V616 Q620 C621 V622 R655 N656	V616-D618 PolarHBondContact O-N 2.9Å; D618-Q620 VanDerWaalsContact C-N 3.34Å; D618-Q620 PolarHBondContact O-N 3.46Å; D618-C621 PolarHBondContact O-N 3.39Å; D618-V622 VanDerWaalsContact O-CB 3.32Å; D618-V622 WeakPolarHBondContact O-CB 3.16Å; D618-V622 VanDerWaalsContact O-CG2 3.27Å; D618-V622 WeakPolarHBondContact O-CG2 3.4Å; D618-V622 PolarHBondContact O-N 2.69Å; D618-R655 IonicContact OD1-CZ 3.03Å; D618-R655 IonicContact OD1-NE 2.74Å; D618-R655 PolarHBondContact OD1-NE 3.08Å; D618-R655 IonicContact OD1-NH2 2.73Å; D618-R655 PolarHBondContact OD1-NH2 3Å; D618-R655 IonicContact OD2-CZ 3.41Å; D618-R655 IonicContact OD2-NH2 3.87Å; D618-R655 PolarHBondContact OD2-NH2 2.87Å; D618-N656 PolarHBondContact OD1-ND2 3.44Å
619	E	91.1	Very high	83.8	Confident	131 Å²	131	70.4 Å²	70.4	61%	0.612	36%	0.356	S	S	*	.	H	α-helix	trans	-60.4	-45	-179	-74.7	-151.7	-157.5	0	0	111.3	S617 M623	S617-E619 VanDerWaalsContact C-N 3.31Å; S617-E619 PolarHBondContact O-N 3.09Å; E619-M623 HydrophobicContact CB-CE 4.3Å; E619-M623 WeakPolarHBondContact O-CB 3.38Å; E619-M623 WeakPolarHBondContact O-CE 3.41Å; E619-M623 WeakPolarHBondContact O-CG 3.31Å; E619-M623 PolarHBondContact O-N 3.25Å
620	Q	91.5	Very high	84.8	Confident	41 Å²	41	67.2 Å²	67.2	19%	0.192	34%	0.339	C	S	.	.	H	α-helix	trans	-67.1	-44.5	-178.1	-176.3	56	13.1	0	0	111.8	S617 D618 M623 I624	S617-Q620 PolarHBondContact O-N 3.38Å; S617-Q620 PolarHBondContact OG-N 3.12Å; D618-Q620 VanDerWaalsContact C-N 3.34Å; D618-Q620 PolarHBondContact O-N 3.46Å; Q620-M623 PolarHBondContact O-N 3.13Å; Q620-I624 HydrophobicContact CG-CD1 4.1Å; Q620-I624 VanDerWaalsContact O-CG1 3.31Å; Q620-I624 WeakPolarHBondContact O-CG1 3.21Å; Q620-I624 PolarHBondContact O-N 2.82Å
621	C	93.8	Very high	86.3	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.007	30%	0.301	C	S	.	.	H	α-helix	trans	-63.2	-48.1	177	-171.2	0	0	0	0	111.6	V616 S617 D618 M623 I624 M625 V652	V616-C621 HydrophobicContact CG1-CB 4.34Å; S617-C621 WeakPolarHBondContact O-CB 3.29Å; S617-C621 PolarHBondContact O-N 3.25Å; D618-C621 PolarHBondContact O-N 3.39Å; C621-M623 VanDerWaalsContact C-N 3.3Å; C621-M623 PolarHBondContact O-N 3.35Å; C621-I624 PolarHBondContact O-N 2.86Å; C621-M625 WeakPolarHBondContact O-CG 3.33Å; C621-M625 PolarHBondContact O-N 3.04Å; C621-V652 HydrophobicContact CB-CG1 3.8Å
622	V	93.6	Very high	87.9	Confident	22 Å²	22	58.9 Å²	58.9	13%	0.133	27%	0.273	C	S	.	.	H	α-helix	trans	-69.6	-26.3	179.1	175	0	0	0	0	112.3	D618 S626 V652 N656 L660	D618-V622 VanDerWaalsContact O-CB 3.32Å; D618-V622 WeakPolarHBondContact O-CB 3.16Å; D618-V622 VanDerWaalsContact O-CG2 3.27Å; D618-V622 WeakPolarHBondContact O-CG2 3.4Å; D618-V622 PolarHBondContact O-N 2.69Å; V622-S626 WeakPolarHBondContact O-CB 3.29Å; V622-S626 PolarHBondContact O-N 3.31Å; V622-V652 HydrophobicContact CG2-CG1 4.36Å; V622-N656 HydrophobicContact CG2-CB 3.63Å; V622-N656 VanDerWaalsContact CG2-CG 3.47Å; V622-L660 HydrophobicContact CG1-CD2 4.27Å
623	M	93.1	Very high	89.5	Confident	44 Å²	44	51.2 Å²	51.2	22%	0.217	24%	0.244	C	C	.	.	H	α-helix	trans	-69.6	-48.9	168.5	-81.6	-169.5	-64.3	0	0	111.6	K556 V560 E619 Q620 C621 S626	K556-M623 WeakPolarHBondContact CE-SD 3.47Å; V560-M623 VanDerWaalsContact CG1-O 3.25Å; V560-M623 WeakPolarHBondContact CG1-O 3.5Å; V560-M623 HydrophobicContact CG2-CB 3.98Å; V560-M623 HydrophobicContact CG2-CG 4.2Å; V560-M623 HydrophobicContact CG2-SD 4.12Å; E619-M623 HydrophobicContact CB-CE 4.3Å; E619-M623 WeakPolarHBondContact O-CB 3.38Å; E619-M623 WeakPolarHBondContact O-CE 3.41Å; E619-M623 WeakPolarHBondContact O-CG 3.31Å; E619-M623 PolarHBondContact O-N 3.25Å; Q620-M623 PolarHBondContact O-N 3.13Å; C621-M623 VanDerWaalsContact C-N 3.3Å; C621-M623 PolarHBondContact O-N 3.35Å; M623-S626 WeakPolarHBondContact O-CB 3.41Å; M623-S626 PolarHBondContact O-N 3.47Å; M623-S626 PolarHBondContact O-OG 2.93Å
624	I	94.8	Very high	91.4	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-59	-51.2	177.2	-69.9	161.2	0	0	0	110.5	V564 M567 L607 Q620 C621 S626 G630 L633 V634	V564-I624 HydrophobicContact CG2-CG2 4.27Å; M567-I624 HydrophobicContact CE-CD1 3.94Å; M567-I624 HydrophobicContact SD-CD1 3.59Å; M567-I624 VanDerWaalsContact SD-CD1 3.59Å; M567-I624 HydrophobicContact SD-CG1 4.4Å; L607-I624 HydrophobicContact CD2-CD1 3.54Å; Q620-I624 HydrophobicContact CG-CD1 4.1Å; Q620-I624 VanDerWaalsContact O-CG1 3.31Å; Q620-I624 WeakPolarHBondContact O-CG1 3.21Å; Q620-I624 PolarHBondContact O-N 2.82Å; C621-I624 PolarHBondContact O-N 2.86Å; I624-S626 PolarHBondContact O-N 3.22Å; I624-G630 WeakPolarHBondContact O-CA 3.44Å; I624-L633 HydrophobicContact CG2-CD2 4.05Å; I624-V634 HydrophobicContact CG2-CG2 3.9Å
625	M	94.8	Very high	93	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-0.3	-177.9	-63.3	-175	77.2	0	0	114.2	C621 V627 K631 V634 I653 L660 L670 L673	C621-M625 WeakPolarHBondContact O-CG 3.33Å; C621-M625 PolarHBondContact O-N 3.04Å; M625-V627 PolarHBondContact O-N 3.03Å; M625-K631 HydrophobicContact CB-CG 4.17Å; M625-K631 HydrophobicContact CE-CG 4.31Å; M625-K631 WeakPolarHBondContact O-CG 3.32Å; M625-V634 HydrophobicContact CG-CB 4.38Å; M625-V634 HydrophobicContact CG-CG2 3.8Å; M625-V634 HydrophobicContact SD-CB 4.49Å; M625-V634 HydrophobicContact SD-CG1 4.27Å; M625-V634 HydrophobicContact SD-CG2 4.31Å; M625-I653 HydrophobicContact CE-CD1 3.81Å; M625-I653 HydrophobicContact CE-CG1 3.85Å; M625-I653 HydrophobicContact SD-CD1 3.85Å; M625-I653 HydrophobicContact SD-CG1 3.58Å; M625-I653 VanDerWaalsContact SD-CG1 3.58Å; M625-L660 HydrophobicContact CB-CD2 3.77Å; M625-L660 HydrophobicContact CE-CD1 4.29Å; M625-L660 HydrophobicContact SD-CD1 4.21Å; M625-L670 HydrophobicContact CE-CD2 4.02Å; M625-L673 HydrophobicContact CE-CD1 3.6Å; M625-L673 HydrophobicContact CE-CD2 3.93Å; M625-L673 HydrophobicContact CE-CG 4.44Å
626	S	92.8	Very high	93.9	Very high	36 Å²	36	33.1 Å²	33.1	25%	0.252	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-1.3	176	73.2	0	0	0	0	115.2	V622 M623 I624	V622-S626 WeakPolarHBondContact O-CB 3.29Å; V622-S626 PolarHBondContact O-N 3.31Å; M623-S626 WeakPolarHBondContact O-CB 3.41Å; M623-S626 PolarHBondContact O-N 3.47Å; M623-S626 PolarHBondContact O-OG 2.93Å; I624-S626 PolarHBondContact O-N 3.22Å
627	V	94.3	Very high	94.3	Very high	27 Å²	27	32.4 Å²	32.4	16%	0.164	16%	0.155	C	C	.	.	S	Bend	trans	-136	147.4	-179.6	-65.6	0	0	0	0	112.3	L561 V564 M625 K629 G630 K631	L561-V627 HydrophobicContact CD2-CG1 4.38Å; V564-V627 HydrophobicContact CG2-CG2 4.23Å; M625-V627 PolarHBondContact O-N 3.03Å; V627-K629 PolarHBondContact O-N 3Å; V627-G630 WeakPolarHBondContact O-CA 3.4Å; V627-G630 PolarHBondContact O-N 3Å; V627-K631 WeakPolarHBondContact O-CE 3.47Å; V627-K631 PolarHBondContact O-N 2.92Å; V627-K631 VanDerWaalsContact O-N 3.14Å
628	R	94.8	Very high	94.6	Very high	63 Å²	63	31.8 Å²	31.8	24%	0.238	15%	0.15	C	C	.	.	H	α-helix	trans	-39.8	-59.7	178.8	-165.4	175.6	-176	71.4	-0.7	113.7	D32 G630 K631 R632 D667 A669	D32-R628 IonicContact OD2-CZ 2.8Å; D32-R628 IonicContact OD2-NE 3.57Å; D32-R628 PolarHBondContact OD2-NE 3.37Å; D32-R628 IonicContact OD2-NH2 3.48Å; D32-R628 PolarHBondContact OD2-NH2 3.44Å; R628-G630 VanDerWaalsContact C-N 3.26Å; R628-G630 PolarHBondContact O-N 2.73Å; R628-K631 PolarHBondContact O-N 3.32Å; R628-R632 PolarHBondContact O-N 3.19Å; R628-D667 WeakPolarHBondContact CA-OD2 3.45Å; R628-D667 WeakPolarHBondContact CB-OD1 3.42Å; R628-D667 PolarHBondContact N-OD2 3.44Å; R628-D667 VanDerWaalsContact N-OD2 3.15Å; R628-D667 PolarHBondContact NH1-O 3.42Å; R628-D667 IonicContact NH1-OD1 3.84Å; R628-A669 HydrophobicContact CG-CB 4.27Å
629	K	95.8	Very high	94.7	Very high	79 Å²	79	33.6 Å²	33.6	34%	0.343	17%	0.165	S	C	.	.	H	α-helix	trans	-63.2	-28.5	-179.4	-172	171.5	178.3	-178.7	0	113.4	V564 E565 Y568 V627 L633	V564-K629 HydrophobicContact CG1-CB 4.48Å; V564-K629 HydrophobicContact CG1-CG 4.22Å; E565-K629 WeakPolarHBondContact OE1-CD 3.46Å; E565-K629 WeakPolarHBondContact OE1-CE 3.46Å; E565-K629 IonicContact OE1-NZ 3.19Å; E565-K629 PolarHBondContact OE1-NZ 2.94Å; E565-K629 IonicContact OE2-NZ 2.65Å; E565-K629 PolarHBondContact OE2-NZ 3.19Å; Y568-K629 HydrophobicContact CD2-CD 4.31Å; Y568-K629 VanDerWaalsContact CD2-CE 3.47Å; Y568-K629 HydrophobicContact CD2-CG 3.94Å; Y568-K629 HydrophobicContact CE2-CD 4.43Å; Y568-K629 HydrophobicContact CE2-CG 3.79Å; V627-K629 PolarHBondContact O-N 3Å; K629-L633 VanDerWaalsContact O-CB 3.32Å; K629-L633 WeakPolarHBondContact O-CB 3.38Å; K629-L633 PolarHBondContact O-N 3.4Å
630	G	96.4	Very high	94.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-74.6	-33.3	178.1	0	0	0	0	0	113.6	I624 V627 R628 L633 V634	I624-G630 WeakPolarHBondContact O-CA 3.44Å; V627-G630 WeakPolarHBondContact O-CA 3.4Å; V627-G630 PolarHBondContact O-N 3Å; R628-G630 VanDerWaalsContact C-N 3.26Å; R628-G630 PolarHBondContact O-N 2.73Å; G630-L633 WeakPolarHBondContact O-CB 3.38Å; G630-L633 PolarHBondContact O-N 2.7Å; G630-V634 WeakPolarHBondContact O-CG2 3.46Å; G630-V634 PolarHBondContact O-N 3.15Å
631	K	95.6	Very high	94.8	Very high	1 Å²	1	29.7 Å²	29.7	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-64.9	-46.9	170.6	-76	164.6	-74.5	-170.3	0	111.2	M625 V627 R628 L633 V634 A635 D664 D667 A669 L670 L673	M625-K631 HydrophobicContact CB-CG 4.17Å; M625-K631 HydrophobicContact CE-CG 4.31Å; M625-K631 WeakPolarHBondContact O-CG 3.32Å; V627-K631 WeakPolarHBondContact O-CE 3.47Å; V627-K631 PolarHBondContact O-N 2.92Å; V627-K631 VanDerWaalsContact O-N 3.14Å; R628-K631 PolarHBondContact O-N 3.32Å; K631-L633 VanDerWaalsContact C-N 3.33Å; K631-L633 PolarHBondContact O-N 3.2Å; K631-V634 PolarHBondContact O-N 3.43Å; K631-A635 PolarHBondContact O-N 3.01Å; K631-D664 IonicContact NZ-OD1 3.86Å; K631-D664 PolarHBondContact NZ-OD1 2.85Å; K631-D667 IonicContact NZ-OD2 3.99Å; K631-D667 PolarHBondContact NZ-OD2 2.89Å; K631-A669 HydrophobicContact CD-CB 4.37Å; K631-L670 HydrophobicContact CD-CD2 3.79Å; K631-L670 HydrophobicContact CD-CG 3.98Å; K631-L670 HydrophobicContact CG-CD2 4.07Å; K631-L673 HydrophobicContact CB-CD1 4.31Å
632	R	96.3	Very high	94.7	Very high	42 Å²	42	33.2 Å²	33.2	16%	0.158	17%	0.169	C	C	.	.	H	α-helix	trans	-63.2	-34.6	173.3	-68.3	-178.6	176.3	166.4	-7.2	113.4	D32 D33 R628 R636	D32-R632 IonicContact OD2-NH2 2.78Å; D33-R632 IonicContact OD1-CZ 3.85Å; D33-R632 IonicContact OD1-NH1 3.01Å; D33-R632 PolarHBondContact OD1-NH1 3.42Å; D33-R632 IonicContact OD1-NH2 2.81Å; D33-R632 PolarHBondContact OD1-NH2 3.24Å; D33-R632 IonicContact OD2-CZ 2.67Å; D33-R632 IonicContact OD2-NH1 3.14Å; D33-R632 PolarHBondContact OD2-NH1 3.19Å; D33-R632 IonicContact OD2-NH2 2.65Å; R628-R632 PolarHBondContact O-N 3.19Å; R632-R636 WeakPolarHBondContact O-CG 3.41Å; R632-R636 PolarHBondContact O-N 3.39Å; R632-R636 VanDerWaalsContact O-N 3.1Å
633	L	96.8	Very high	94.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.4	-51.6	172.6	172.5	65.5	0	0	0	110.6	V564 M567 Y568 L571 I624 K629 G630 K631 A635 R636 L637	V564-L633 HydrophobicContact CG1-CD2 4.18Å; M567-L633 HydrophobicContact CB-CD1 4.34Å; M567-L633 HydrophobicContact CB-CD2 3.8Å; M567-L633 HydrophobicContact CE-CD2 4.48Å; M567-L633 HydrophobicContact SD-CD2 4.47Å; Y568-L633 HydrophobicContact CD2-CB 3.98Å; Y568-L633 HydrophobicContact CD2-CD1 3.8Å; Y568-L633 HydrophobicContact CD2-CG 4.36Å; Y568-L633 HydrophobicContact CE2-CB 4.08Å; Y568-L633 HydrophobicContact CE2-CD1 4.38Å; Y568-L633 HydrophobicContact CG-CD1 4.25Å; L571-L633 HydrophobicContact CB-CD1 4.38Å; L571-L633 HydrophobicContact CD2-CD1 3.69Å; I624-L633 HydrophobicContact CG2-CD2 4.05Å; K629-L633 VanDerWaalsContact O-CB 3.32Å; K629-L633 WeakPolarHBondContact O-CB 3.38Å; K629-L633 PolarHBondContact O-N 3.4Å; G630-L633 WeakPolarHBondContact O-CB 3.38Å; G630-L633 PolarHBondContact O-N 2.7Å; K631-L633 VanDerWaalsContact C-N 3.33Å; K631-L633 PolarHBondContact O-N 3.2Å; L633-A635 PolarHBondContact O-N 3.43Å; L633-R636 PolarHBondContact O-N 3.28Å; L633-L637 WeakPolarHBondContact O-CB 3.41Å; L633-L637 PolarHBondContact O-N 2.88Å
634	V	96.3	Very high	94.5	Very high	2 Å²	2	37 Å²	37	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-41.9	179.4	175.3	0	0	0	0	111.5	I624 M625 G630 K631 R636 L637 L638 V649 I653 L673	I624-V634 HydrophobicContact CG2-CG2 3.9Å; M625-V634 HydrophobicContact CG-CB 4.38Å; M625-V634 HydrophobicContact CG-CG2 3.8Å; M625-V634 HydrophobicContact SD-CB 4.49Å; M625-V634 HydrophobicContact SD-CG1 4.27Å; M625-V634 HydrophobicContact SD-CG2 4.31Å; G630-V634 WeakPolarHBondContact O-CG2 3.46Å; G630-V634 PolarHBondContact O-N 3.15Å; K631-V634 PolarHBondContact O-N 3.43Å; V634-R636 PolarHBondContact O-N 3.47Å; V634-L637 PolarHBondContact O-N 3.09Å; V634-L637 VanDerWaalsContact O-N 3.13Å; V634-L638 HydrophobicContact CG1-CD1 4.41Å; V634-L638 HydrophobicContact CG1-CG 4.35Å; V634-L638 WeakPolarHBondContact O-CG 3.26Å; V634-L638 PolarHBondContact O-N 2.95Å; V634-V649 HydrophobicContact CG1-CG1 3.88Å; V634-I653 HydrophobicContact CG1-CD1 4.49Å; V634-L673 HydrophobicContact CB-CD2 4.28Å; V634-L673 HydrophobicContact CG1-CD2 3.85Å
635	A	97	Very high	94.4	Very high	10 Å²	10	37.9 Å²	37.9	8%	0.083	21%	0.214	C	C	.	.	H	α-helix	trans	-54.3	-49.5	174.5	0	0	0	0	0	112.6	K631 L633 L637 C672 L673 P676	K631-A635 PolarHBondContact O-N 3.01Å; L633-A635 PolarHBondContact O-N 3.43Å; A635-L637 VanDerWaalsContact C-N 3.3Å; A635-L637 PolarHBondContact O-N 3.08Å; A635-C672 WeakPolarHBondContact CB-O 3.28Å; A635-L673 HydrophobicContact CB-CD2 4.38Å; A635-L673 HydrophobicContact CB-CG 4.13Å; A635-P676 HydrophobicContact CB-CG 4.18Å
636	R	96.1	Very high	94.4	Very high	103 Å²	103	38 Å²	38	39%	0.389	22%	0.215	S	C	.	.	H	α-helix	trans	-74.7	-16.2	179	-72	174.7	63.9	160.9	1.3	113.9	Y568 L571 Q575 R632 L633 V634 F640	Y568-R636 PolarHBondContact OH-NH1 2.8Å; L571-R636 HydrophobicContact CD2-CB 3.79Å; Q575-R636 PolarHBondContact NE2-O 3.31Å; R632-R636 WeakPolarHBondContact O-CG 3.41Å; R632-R636 PolarHBondContact O-N 3.39Å; R632-R636 VanDerWaalsContact O-N 3.1Å; L633-R636 PolarHBondContact O-N 3.28Å; V634-R636 PolarHBondContact O-N 3.47Å; R636-F640 WeakPolarHBondContact O-CD2 3.39Å; R636-F640 WeakPolarHBondContact O-CE2 3.5Å
637	L	95.1	Very high	94.5	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-88.5	-37.6	-178.4	178.9	66.7	0	0	0	112.3	M567 L571 L603 L607 L633 V634 A635 P639 F640 L641	M567-L637 HydrophobicContact CE-CD2 4.07Å; L571-L637 HydrophobicContact CD1-CD1 4.11Å; L603-L637 HydrophobicContact CB-CD1 4.04Å; L603-L637 HydrophobicContact CD1-CD1 4.1Å; L603-L637 HydrophobicContact CD2-CD1 4.09Å; L603-L637 HydrophobicContact CG-CD1 4.31Å; L607-L637 HydrophobicContact CD1-CD2 3.67Å; L607-L637 HydrophobicContact CG-CD2 4.19Å; L633-L637 WeakPolarHBondContact O-CB 3.41Å; L633-L637 PolarHBondContact O-N 2.88Å; V634-L637 PolarHBondContact O-N 3.09Å; V634-L637 VanDerWaalsContact O-N 3.13Å; A635-L637 VanDerWaalsContact C-N 3.3Å; A635-L637 PolarHBondContact O-N 3.08Å; L637-P639 VanDerWaalsContact C-CD 3.43Å; L637-P639 VanDerWaalsContact C-N 3.33Å; L637-P639 VanDerWaalsContact O-N 3.17Å; L637-F640 PolarHBondContact O-N 3.28Å; L637-L641 HydrophobicContact CD1-CD2 4.06Å; L637-L641 HydrophobicContact CD2-CD2 4.34Å; L637-L641 HydrophobicContact CG-CD1 4.32Å; L637-L641 HydrophobicContact CG-CD2 3.93Å; L637-L641 HydrophobicContact CG-CG 4.11Å
638	L	95.1	Very high	94.5	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.026	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-47	-43.2	-176.3	-82.5	167	0	0	0	114.7	V634 F640 L641 A646 V649 L673 P676 V677 V680	V634-L638 HydrophobicContact CG1-CD1 4.41Å; V634-L638 HydrophobicContact CG1-CG 4.35Å; V634-L638 WeakPolarHBondContact O-CG 3.26Å; V634-L638 PolarHBondContact O-N 2.95Å; L638-F640 PolarHBondContact O-N 3.14Å; L638-F640 VanDerWaalsContact O-N 3.17Å; L638-L641 HydrophobicContact CD2-CD1 4.38Å; L638-L641 PolarHBondContact O-N 2.92Å; L638-A646 HydrophobicContact CD2-CB 4.15Å; L638-V649 HydrophobicContact CD2-CB 4.09Å; L638-V649 HydrophobicContact CD2-CG1 3.93Å; L638-L673 HydrophobicContact CD1-CD2 4.19Å; L638-P676 HydrophobicContact CB-CB 3.98Å; L638-P676 HydrophobicContact CD1-CB 3.95Å; L638-P676 HydrophobicContact CD1-CG 4.21Å; L638-V677 HydrophobicContact CD1-CG2 3.94Å; L638-V680 HydrophobicContact CD2-CG2 4.39Å
639	P	94.1	Very high	94.5	Very high	94 Å²	94	34.6 Å²	34.6	61%	0.61	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-66.1	-13.4	178.3	-22.7	35.2	0	0	0	115.6	L637	L637-P639 VanDerWaalsContact C-CD 3.43Å; L637-P639 VanDerWaalsContact C-N 3.33Å; L637-P639 VanDerWaalsContact O-N 3.17Å
640	F	92.4	Very high	94.6	Very high	73 Å²	73	30.9 Å²	30.9	32%	0.32	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-105	-3.9	-178.1	-59.7	-90.6	0	0	0	112.9	L571 V574 Q575 R636 L637 L638	L571-F640 HydrophobicContact CD1-CD2 4.24Å; V574-F640 HydrophobicContact CG1-CD1 3.5Å; V574-F640 HydrophobicContact CG1-CE1 3.89Å; V574-F640 HydrophobicContact CG1-CG 4.19Å; Q575-F640 HydrophobicContact CG-CE1 4.3Å; Q575-F640 HydrophobicContact CG-CE2 3.9Å; Q575-F640 HydrophobicContact CG-CZ 3.64Å; Q575-F640 VanDerWaalsContact NE2-CE2 3.27Å; R636-F640 WeakPolarHBondContact O-CD2 3.39Å; R636-F640 WeakPolarHBondContact O-CE2 3.5Å; L637-F640 PolarHBondContact O-N 3.28Å; L638-F640 PolarHBondContact O-N 3.14Å; L638-F640 VanDerWaalsContact O-N 3.17Å
641	L	92.1	Very high	94.5	Very high	16 Å²	16	33.2 Å²	33.2	8%	0.084	20%	0.201	C	C	.	.	S	Bend	trans	-86	148.5	177.4	-60.4	-178.5	0	0	0	111	L607 L637 L638 A646 V649	L607-L641 HydrophobicContact CD1-CD1 3.81Å; L607-L641 HydrophobicContact CD1-CD2 4.38Å; L637-L641 HydrophobicContact CD1-CD2 4.06Å; L637-L641 HydrophobicContact CD2-CD2 4.34Å; L637-L641 HydrophobicContact CG-CD1 4.32Å; L637-L641 HydrophobicContact CG-CD2 3.93Å; L637-L641 HydrophobicContact CG-CG 4.11Å; L638-L641 HydrophobicContact CD2-CD1 4.38Å; L638-L641 PolarHBondContact O-N 2.92Å; L641-A646 HydrophobicContact CB-CB 4.19Å; L641-V649 HydrophobicContact CD1-CG2 4.02Å
642	P	91.6	Very high	94.5	Very high	76 Å²	76	33.5 Å²	33.5	49%	0.494	20%	0.203	S	C	.	.			trans	-54.3	140.4	166.5	-23.8	33.8	0	0	0	111	A644 Q645 A646	P642-A644 VanDerWaalsContact C-N 3.27Å; P642-A644 PolarHBondContact O-N 3.31Å; P642-A644 VanDerWaalsContact O-N 3.11Å; P642-Q645 HydrophobicContact CB-CB 4.47Å; P642-Q645 CarbonylContact O-C 3.57Å; P642-Q645 WeakPolarHBondContact O-CA 3.36Å; P642-Q645 WeakPolarHBondContact O-CB 3.46Å; P642-Q645 PolarHBondContact O-N 3.23Å; P642-A646 PolarHBondContact O-N 2.93Å
643	A	92.1	Very high	94.4	Very high	69 Å²	69	31.6 Å²	31.6	57%	0.57	20%	0.195	S	C	*	.	H	α-helix	trans	-53.7	-39.2	-171.7	0	0	0	0	0	114	Q645 A646 A647	A643-Q645 VanDerWaalsContact C-N 3.35Å; A643-Q645 PolarHBondContact O-N 3.34Å; A643-A646 PolarHBondContact O-N 3.3Å; A643-A647 WeakPolarHBondContact O-CB 3.33Å; A643-A647 PolarHBondContact O-N 3.35Å
644	A	91.4	Very high	94.4	Very high	76 Å²	76	31.6 Å²	31.6	63%	0.628	20%	0.195	S	C	*	.	H	α-helix	trans	-63.2	-38.1	174.7	0	0	0	0	0	112.9	P642 A648	P642-A644 VanDerWaalsContact C-N 3.27Å; P642-A644 PolarHBondContact O-N 3.31Å; P642-A644 VanDerWaalsContact O-N 3.11Å; A644-A648 WeakPolarHBondContact O-CB 3.5Å; A644-A648 PolarHBondContact O-N 2.95Å
645	Q	92	Very high	94.2	Very high	20 Å²	20	36 Å²	36	9%	0.093	21%	0.212	C	C	.	.	H	α-helix	trans	-75	-38.2	176.9	-161.3	-176	21.1	0	0	111.8	S604 V616 P642 A643 A648 V649	S604-Q645 VanDerWaalsContact CB-OE1 3.3Å; S604-Q645 PolarHBondContact O-NE2 3.19Å; V616-Q645 HydrophobicContact CG2-CG 3.48Å; V616-Q645 VanDerWaalsContact CG2-CG 3.48Å; P642-Q645 HydrophobicContact CB-CB 4.47Å; P642-Q645 CarbonylContact O-C 3.57Å; P642-Q645 WeakPolarHBondContact O-CA 3.36Å; P642-Q645 WeakPolarHBondContact O-CB 3.46Å; P642-Q645 PolarHBondContact O-N 3.23Å; A643-Q645 VanDerWaalsContact C-N 3.35Å; A643-Q645 PolarHBondContact O-N 3.34Å; Q645-A648 PolarHBondContact O-N 3.05Å; Q645-V649 WeakPolarHBondContact O-CG2 3.42Å; Q645-V649 PolarHBondContact O-N 2.9Å
646	A	94.8	Very high	94.1	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.033	22%	0.218	C	C	.	.	H	α-helix	trans	-60.8	-45.9	173.5	0	0	0	0	0	111.1	L638 L641 P642 A643 V649 V650 V680	L638-A646 HydrophobicContact CD2-CB 4.15Å; L641-A646 HydrophobicContact CB-CB 4.19Å; P642-A646 PolarHBondContact O-N 2.93Å; A643-A646 PolarHBondContact O-N 3.3Å; A646-V649 PolarHBondContact O-N 3.08Å; A646-V650 WeakPolarHBondContact O-CG2 3.43Å; A646-V650 PolarHBondContact O-N 3.21Å; A646-V650 VanDerWaalsContact O-N 3.1Å; A646-V680 HydrophobicContact CB-CG1 4.46Å; A646-V680 HydrophobicContact CB-CG2 3.84Å
647	A	94.9	Very high	94	Very high	22 Å²	22	32.5 Å²	32.5	18%	0.182	20%	0.199	C	C	.	.	H	α-helix	trans	-58.3	-46.7	171.9	0	0	0	0	0	111.8	A643 V649 V650 M651 V680 L684	A643-A647 WeakPolarHBondContact O-CB 3.33Å; A643-A647 PolarHBondContact O-N 3.35Å; A647-V649 VanDerWaalsContact C-N 3.34Å; A647-V649 PolarHBondContact O-N 2.95Å; A647-V650 PolarHBondContact O-N 3.44Å; A647-V650 VanDerWaalsContact O-N 3.09Å; A647-M651 WeakPolarHBondContact O-CG 3.43Å; A647-M651 PolarHBondContact O-N 3.45Å; A647-V680 HydrophobicContact CB-CG1 4.47Å; A647-L684 HydrophobicContact CB-CD2 3.58Å
648	A	93.9	Very high	93.8	Very high	33 Å²	33	33.5 Å²	33.5	27%	0.273	21%	0.206	S	C	.	.	H	α-helix	trans	-59.9	-39.6	176.8	0	0	0	0	0	113	V616 A644 Q645 V650 M651 V652	V616-A648 HydrophobicContact CB-CB 4.29Å; V616-A648 HydrophobicContact CG2-CB 3.72Å; A644-A648 WeakPolarHBondContact O-CB 3.5Å; A644-A648 PolarHBondContact O-N 2.95Å; Q645-A648 PolarHBondContact O-N 3.05Å; A648-V650 VanDerWaalsContact C-N 3.34Å; A648-V650 PolarHBondContact O-N 3.3Å; A648-M651 PolarHBondContact O-N 2.94Å; A648-V652 WeakPolarHBondContact O-CG2 3.4Å; A648-V652 PolarHBondContact O-N 2.93Å
649	V	95.4	Very high	93.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.1	-42.3	172.9	170.8	0	0	0	0	111.2	L607 V616 V634 L638 L641 Q645 A646 A647 V652 I653	L607-V649 HydrophobicContact CD1-CG2 3.84Å; V616-V649 HydrophobicContact CG1-CG2 4.07Å; V616-V649 HydrophobicContact CG2-CG2 4.05Å; V634-V649 HydrophobicContact CG1-CG1 3.88Å; L638-V649 HydrophobicContact CD2-CB 4.09Å; L638-V649 HydrophobicContact CD2-CG1 3.93Å; L641-V649 HydrophobicContact CD1-CG2 4.02Å; Q645-V649 WeakPolarHBondContact O-CG2 3.42Å; Q645-V649 PolarHBondContact O-N 2.9Å; A646-V649 PolarHBondContact O-N 3.08Å; A647-V649 VanDerWaalsContact C-N 3.34Å; A647-V649 PolarHBondContact O-N 2.95Å; V649-V652 PolarHBondContact O-N 2.91Å; V649-I653 HydrophobicContact CG1-CD1 3.85Å; V649-I653 HydrophobicContact CG1-CG1 4.47Å; V649-I653 VanDerWaalsContact O-CG1 3.26Å; V649-I653 WeakPolarHBondContact O-CG1 3.35Å; V649-I653 PolarHBondContact O-N 3.17Å
650	V	96.7	Very high	93.7	Very high	2 Å²	2	31 Å²	31	1%	0.012	19%	0.193	C	C	.	.	H	α-helix	trans	-65	-38.9	176.8	176.2	0	0	0	0	112	A646 A647 A648 I653 A654 V677 V680 L692	A646-V650 WeakPolarHBondContact O-CG2 3.43Å; A646-V650 PolarHBondContact O-N 3.21Å; A646-V650 VanDerWaalsContact O-N 3.1Å; A647-V650 PolarHBondContact O-N 3.44Å; A647-V650 VanDerWaalsContact O-N 3.09Å; A648-V650 VanDerWaalsContact C-N 3.34Å; A648-V650 PolarHBondContact O-N 3.3Å; V650-I653 PolarHBondContact O-N 2.92Å; V650-A654 PolarHBondContact O-N 2.91Å; V650-V677 HydrophobicContact CG1-CG1 3.89Å; V650-V677 HydrophobicContact CG2-CG1 4.05Å; V650-V677 HydrophobicContact CG2-CG2 4.11Å; V650-V680 HydrophobicContact CB-CG1 4.42Å; V650-V680 HydrophobicContact CG2-CB 4.11Å; V650-V680 HydrophobicContact CG2-CG1 3.78Å; V650-V680 HydrophobicContact CG2-CG2 4.5Å; V650-L692 HydrophobicContact CG1-CD1 3.88Å; V650-L692 HydrophobicContact CG1-CD2 3.82Å
651	M	95	Very high	93.7	Very high	49 Å²	49	27.9 Å²	27.9	24%	0.241	18%	0.182	C	C	.	.	H	α-helix	trans	-60.9	-46	172.6	-64.5	-67.5	-79.6	0	0	111.9	A647 A648 I653 A654 R655 D691 L692 E695	A647-M651 WeakPolarHBondContact O-CG 3.43Å; A647-M651 PolarHBondContact O-N 3.45Å; A648-M651 PolarHBondContact O-N 2.94Å; M651-I653 VanDerWaalsContact C-N 3.31Å; M651-I653 PolarHBondContact O-N 3.21Å; M651-A654 PolarHBondContact O-N 3.31Å; M651-R655 WeakPolarHBondContact O-CB 3.43Å; M651-R655 PolarHBondContact O-N 3.4Å; M651-D691 HydrophobicContact CE-CB 3.72Å; M651-L692 WeakPolarHBondContact SD-CA 3.43Å; M651-L692 HydrophobicContact SD-CB 3.62Å; M651-L692 HydrophobicContact SD-CD1 3.71Å; M651-L692 HydrophobicContact SD-CG 4.24Å; M651-E695 HydrophobicContact CE-CG 3.78Å
652	V	94.8	Very high	93.7	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-39.8	176	172.4	0	0	0	0	111.2	V616 C621 V622 A648 V649 N656	V616-V652 HydrophobicContact CG1-CG2 4.25Å; C621-V652 HydrophobicContact CB-CG1 3.8Å; V622-V652 HydrophobicContact CG2-CG1 4.36Å; A648-V652 WeakPolarHBondContact O-CG2 3.4Å; A648-V652 PolarHBondContact O-N 2.93Å; V649-V652 PolarHBondContact O-N 2.91Å; V652-N656 VanDerWaalsContact O-CB 3.31Å; V652-N656 WeakPolarHBondContact O-CB 3.42Å; V652-N656 PolarHBondContact O-N 3.3Å; V652-N656 VanDerWaalsContact O-N 3.08Å; V652-N656 PolarHBondContact O-ND2 2.95Å
653	I	95.4	Very high	93.6	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-49.6	175.6	-71.6	165.2	0	0	0	111	M625 V634 V649 V650 M651 N656 L657 L660 L673 F711	M625-I653 HydrophobicContact CE-CD1 3.81Å; M625-I653 HydrophobicContact CE-CG1 3.85Å; M625-I653 HydrophobicContact SD-CD1 3.85Å; M625-I653 HydrophobicContact SD-CG1 3.58Å; M625-I653 VanDerWaalsContact SD-CG1 3.58Å; V634-I653 HydrophobicContact CG1-CD1 4.49Å; V649-I653 HydrophobicContact CG1-CD1 3.85Å; V649-I653 HydrophobicContact CG1-CG1 4.47Å; V649-I653 VanDerWaalsContact O-CG1 3.26Å; V649-I653 WeakPolarHBondContact O-CG1 3.35Å; V649-I653 PolarHBondContact O-N 3.17Å; V650-I653 PolarHBondContact O-N 2.92Å; M651-I653 VanDerWaalsContact C-N 3.31Å; M651-I653 PolarHBondContact O-N 3.21Å; I653-N656 CarbonylContact O-C 3.54Å; I653-N656 PolarHBondContact O-N 3.25Å; I653-L657 WeakPolarHBondContact O-CA 3.27Å; I653-L657 WeakPolarHBondContact O-CB 3.49Å; I653-L657 PolarHBondContact O-N 3.39Å; I653-L660 HydrophobicContact CG2-CD1 4.49Å; I653-L673 HydrophobicContact CD1-CD2 4.12Å; I653-F711 HydrophobicContact CG2-CE1 3.9Å; I653-F711 HydrophobicContact CG2-CZ 4.2Å
654	A	95.3	Very high	93.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.1	-50.6	-179.3	0	0	0	0	0	111.9	V650 M651 N656 L657 L692 E695 L696 L715	V650-A654 PolarHBondContact O-N 2.91Å; M651-A654 PolarHBondContact O-N 3.31Å; A654-N656 VanDerWaalsContact C-N 3.3Å; A654-N656 PolarHBondContact O-N 2.92Å; A654-L657 VanDerWaalsContact O-CB 3.27Å; A654-L657 WeakPolarHBondContact O-CB 3.46Å; A654-L657 PolarHBondContact O-N 3.34Å; A654-L692 HydrophobicContact CB-CD1 3.55Å; A654-E695 HydrophobicContact CB-CB 4.49Å; A654-L696 HydrophobicContact CB-CB 4.28Å; A654-L715 HydrophobicContact CB-CD2 4.42Å
655	R	93.3	Very high	93.5	Very high	95 Å²	95	36.1 Å²	36.1	36%	0.358	18%	0.182	S	C	.	.	H	α-helix	trans	-59.7	-37.2	178.8	179.3	168.3	57.9	-154	7.9	113.1	D618 M651 E695 Q702	D618-R655 IonicContact OD1-CZ 3.03Å; D618-R655 IonicContact OD1-NE 2.74Å; D618-R655 PolarHBondContact OD1-NE 3.08Å; D618-R655 IonicContact OD1-NH2 2.73Å; D618-R655 PolarHBondContact OD1-NH2 3Å; D618-R655 IonicContact OD2-CZ 3.41Å; D618-R655 IonicContact OD2-NH2 3.87Å; D618-R655 PolarHBondContact OD2-NH2 2.87Å; M651-R655 WeakPolarHBondContact O-CB 3.43Å; M651-R655 PolarHBondContact O-N 3.4Å; R655-E695 HydrophobicContact CB-CB 4.36Å; R655-E695 WeakPolarHBondContact CB-OE2 3.18Å; R655-E695 VanDerWaalsContact CD-OE2 3.28Å; R655-E695 WeakPolarHBondContact CD-OE2 3.26Å; R655-E695 WeakPolarHBondContact CG-OE2 3.46Å; R655-E695 IonicContact CZ-OE1 3.21Å; R655-E695 IonicContact NE-OE1 3.1Å; R655-E695 IonicContact NH1-OE1 2.93Å; R655-E695 PolarHBondContact NH1-OE1 3.21Å; R655-Q702 PolarHBondContact O-NE2 3.33Å; R655-Q702 VanDerWaalsContact O-NE2 3.17Å
656	N	94	Very high	93.2	Very high	39 Å²	39	42.3 Å²	42.3	21%	0.209	21%	0.211	C	C	.	.	H	α-helix	trans	-97.1	5.4	-178.2	-67.4	-86.5	0	0	0	113.7	D618 V622 V652 I653 A654 A659 L660	D618-N656 PolarHBondContact OD1-ND2 3.44Å; V622-N656 HydrophobicContact CG2-CB 3.63Å; V622-N656 VanDerWaalsContact CG2-CG 3.47Å; V652-N656 VanDerWaalsContact O-CB 3.31Å; V652-N656 WeakPolarHBondContact O-CB 3.42Å; V652-N656 PolarHBondContact O-N 3.3Å; V652-N656 VanDerWaalsContact O-N 3.08Å; V652-N656 PolarHBondContact O-ND2 2.95Å; I653-N656 CarbonylContact O-C 3.54Å; I653-N656 PolarHBondContact O-N 3.25Å; A654-N656 VanDerWaalsContact C-N 3.3Å; A654-N656 PolarHBondContact O-N 2.92Å; N656-A659 WeakPolarHBondContact O-CB 3.45Å; N656-A659 PolarHBondContact O-N 2.91Å; N656-L660 PolarHBondContact O-N 3.4Å; N656-L660 VanDerWaalsContact O-N 3.08Å
657	L	93.8	Very high	92.8	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-54.6	-42.6	-170.8	179.9	62	0	0	0	114	I653 A654 A659 L660 A661 L670 L696 A706 F711 L715	I653-L657 WeakPolarHBondContact O-CA 3.27Å; I653-L657 WeakPolarHBondContact O-CB 3.49Å; I653-L657 PolarHBondContact O-N 3.39Å; A654-L657 VanDerWaalsContact O-CB 3.27Å; A654-L657 WeakPolarHBondContact O-CB 3.46Å; A654-L657 PolarHBondContact O-N 3.34Å; L657-A659 PolarHBondContact O-N 2.85Å; L657-L660 PolarHBondContact O-N 2.78Å; L657-A661 VanDerWaalsContact O-CB 3.27Å; L657-A661 WeakPolarHBondContact O-CB 3.36Å; L657-A661 PolarHBondContact O-N 3.48Å; L657-L670 HydrophobicContact CD1-CD1 4.49Å; L657-L696 HydrophobicContact CD2-CD1 3.56Å; L657-A706 HydrophobicContact CD2-CB 3.59Å; L657-A706 HydrophobicContact CG-CB 4.36Å; L657-F711 HydrophobicContact CD1-CD1 3.91Å; L657-F711 HydrophobicContact CD1-CE1 4.09Å; L657-L715 HydrophobicContact CD2-CD2 4.33Å
658	P	92.2	Very high	92.5	Very high	22 Å²	22	47.1 Å²	47.1	14%	0.143	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-27.8	176.7	-24.1	35.2	0	0	0	114	K662 Q702 A705	P658-K662 WeakPolarHBondContact O-CD 3.43Å; P658-K662 WeakPolarHBondContact O-CG 3.33Å; P658-K662 PolarHBondContact O-N 2.94Å; P658-Q702 HydrophobicContact CG-CB 4.45Å; P658-Q702 HydrophobicContact CG-CG 3.85Å; P658-A705 HydrophobicContact CB-CB 3.94Å; P658-A705 HydrophobicContact CG-CB 4.17Å
659	A	92.3	Very high	92.4	Very high	43 Å²	43	46 Å²	46	36%	0.355	22%	0.221	S	C	.	.	H	α-helix	trans	-81.8	-34.3	176.8	0	0	0	0	0	112	N656 L657 K663	N656-A659 WeakPolarHBondContact O-CB 3.45Å; N656-A659 PolarHBondContact O-N 2.91Å; L657-A659 PolarHBondContact O-N 2.85Å; A659-K663 WeakPolarHBondContact O-CG 3.27Å
660	L	93.9	Very high	92.4	Very high	3 Å²	3	46 Å²	46	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-70.7	-48.4	173.8	-64.1	177.4	0	0	0	111.2	V622 M625 I653 N656 L657 K662 K663 D664 L670	V622-L660 HydrophobicContact CG1-CD2 4.27Å; M625-L660 HydrophobicContact CB-CD2 3.77Å; M625-L660 HydrophobicContact CE-CD1 4.29Å; M625-L660 HydrophobicContact SD-CD1 4.21Å; I653-L660 HydrophobicContact CG2-CD1 4.49Å; N656-L660 PolarHBondContact O-N 3.4Å; N656-L660 VanDerWaalsContact O-N 3.08Å; L657-L660 PolarHBondContact O-N 2.78Å; L660-K662 VanDerWaalsContact C-N 3.28Å; L660-K662 PolarHBondContact O-N 3.32Å; L660-K663 CarbonylContact O-C 3.49Å; L660-K663 WeakPolarHBondContact O-CA 3.43Å; L660-K663 WeakPolarHBondContact O-CB 3.27Å; L660-K663 PolarHBondContact O-N 2.8Å; L660-D664 PolarHBondContact O-N 3.18Å; L660-L670 HydrophobicContact CB-CD1 4.3Å
661	A	92.3	Very high	92.2	Very high	9 Å²	9	48.7 Å²	48.7	7%	0.074	24%	0.239	C	C	.	.	H	α-helix	trans	-58.9	-35.4	177.8	0	0	0	0	0	113.1	L657 K663 D664 K665 N709	L657-A661 VanDerWaalsContact O-CB 3.27Å; L657-A661 WeakPolarHBondContact O-CB 3.36Å; L657-A661 PolarHBondContact O-N 3.48Å; A661-K663 VanDerWaalsContact C-N 3.32Å; A661-K663 PolarHBondContact O-N 3.24Å; A661-D664 PolarHBondContact O-N 3.4Å; A661-K665 PolarHBondContact O-N 3.28Å; A661-N709 HydrophobicContact CB-CB 3.86Å
662	K	91.9	Very high	92.3	Very high	156 Å²	156	48.9 Å²	48.9	68%	0.678	24%	0.244	S	C	*	.	H	α-helix	trans	-63.3	-35	172.4	-79.4	170.5	-174.1	174	0	113	P658 L660	P658-K662 WeakPolarHBondContact O-CD 3.43Å; P658-K662 WeakPolarHBondContact O-CG 3.33Å; P658-K662 PolarHBondContact O-N 2.94Å; L660-K662 VanDerWaalsContact C-N 3.28Å; L660-K662 PolarHBondContact O-N 3.32Å
663	K	90.9	Very high	92.3	Very high	97 Å²	97	48.5 Å²	48.5	42%	0.422	24%	0.242	S	C	.	.	H	α-helix	trans	-82.4	-23.3	175.9	-63.4	175.9	-172.5	173	0	112.6	A659 L660 A661 K665	A659-K663 WeakPolarHBondContact O-CG 3.27Å; L660-K663 CarbonylContact O-C 3.49Å; L660-K663 WeakPolarHBondContact O-CA 3.43Å; L660-K663 WeakPolarHBondContact O-CB 3.27Å; L660-K663 PolarHBondContact O-N 2.8Å; A661-K663 VanDerWaalsContact C-N 3.32Å; A661-K663 PolarHBondContact O-N 3.24Å; K663-K665 VanDerWaalsContact C-N 3.34Å
664	D	92.9	Very high	92.4	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-84.4	-2.5	-179.8	-158.1	53.9	0	0	0	114	K631 L660 A661 Q666 D667 Q668 A669 L670	K631-D664 IonicContact NZ-OD1 3.86Å; K631-D664 PolarHBondContact NZ-OD1 2.85Å; L660-D664 PolarHBondContact O-N 3.18Å; A661-D664 PolarHBondContact O-N 3.4Å; D664-Q666 VanDerWaalsContact C-N 3.31Å; D664-Q666 PolarHBondContact O-N 3.05Å; D664-D667 PolarHBondContact O-N 3.07Å; D664-D667 WeakPolarHBondContact OD1-CB 3.44Å; D664-Q668 PolarHBondContact O-N 2.92Å; D664-Q668 VanDerWaalsContact OD2-C 3.27Å; D664-Q668 WeakPolarHBondContact OD2-CA 3.47Å; D664-A669 PolarHBondContact OD1-N 3.14Å; D664-A669 PolarHBondContact OD2-N 2.99Å; D664-A669 VanDerWaalsContact OD2-N 3.16Å; D664-L670 HydrophobicContact CB-CD1 3.61Å; D664-L670 HydrophobicContact CB-CG 3.86Å; D664-L670 PolarHBondContact OD1-N 3.36Å; D664-L670 VanDerWaalsContact OD2-CB 3.29Å; D664-L670 WeakPolarHBondContact OD2-CB 3.34Å; D664-L670 WeakPolarHBondContact OD2-CG 3.31Å; D664-L670 PolarHBondContact OD2-N 2.93Å
665	K	88.3	Confident	92.5	Very high	155 Å²	155	58.3 Å²	58.3	67%	0.674	29%	0.291	S	S	*	.	H	α-helix	trans	-54.6	-41.2	-177.4	-74.8	-162.7	169.8	-162.4	0	114.3	A661 K663 Q668	A661-K665 PolarHBondContact O-N 3.28Å; K663-K665 VanDerWaalsContact C-N 3.34Å; K665-Q668 PolarHBondContact O-NE2 3Å
666	Q	86	Confident	92.6	Very high	150 Å²	150	54.7 Å²	54.7	70%	0.701	28%	0.279	S	S	*	.	H	α-helix	trans	-81	-43.4	174.6	-167.7	73	9	0	0	111.5	D41 D664	D41-Q666 PolarHBondContact OD2-NE2 2.88Å; D664-Q666 VanDerWaalsContact C-N 3.31Å; D664-Q666 PolarHBondContact O-N 3.05Å
667	D	86.7	Confident	92.8	Very high	40 Å²	40	52.9 Å²	52.9	21%	0.214	27%	0.27	C	S	.	.	H	α-helix	trans	-71.8	-36.5	-172.5	-81.4	-24	0	0	0	113.8	R628 K631 D664 A669	R628-D667 WeakPolarHBondContact CA-OD2 3.45Å; R628-D667 WeakPolarHBondContact CB-OD1 3.42Å; R628-D667 PolarHBondContact N-OD2 3.44Å; R628-D667 VanDerWaalsContact N-OD2 3.15Å; R628-D667 PolarHBondContact NH1-O 3.42Å; R628-D667 IonicContact NH1-OD1 3.84Å; K631-D667 IonicContact NZ-OD2 3.99Å; K631-D667 PolarHBondContact NZ-OD2 2.89Å; D664-D667 PolarHBondContact O-N 3.07Å; D664-D667 WeakPolarHBondContact OD1-CB 3.44Å; D667-A669 HydrophobicContact CB-CB 3.95Å; D667-A669 PolarHBondContact O-N 2.71Å
668	Q	88	Confident	93	Very high	88 Å²	88	54 Å²	54	41%	0.411	28%	0.277	S	S	.	.			trans	48.8	20.3	-167.5	-59.9	-64.1	-42.5	0	0	114.5	D664 K665 L670	D664-Q668 PolarHBondContact O-N 2.92Å; D664-Q668 VanDerWaalsContact OD2-C 3.27Å; D664-Q668 WeakPolarHBondContact OD2-CA 3.47Å; K665-Q668 PolarHBondContact O-NE2 3Å; Q668-L670 PolarHBondContact O-N 2.91Å
669	A	92.4	Very high	93.2	Very high	10 Å²	10	55.8 Å²	55.8	8%	0.083	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-87.3	-5.1	-167.1	0	0	0	0	0	113.5	R628 K631 D664 D667 C671 C672	R628-A669 HydrophobicContact CG-CB 4.27Å; K631-A669 HydrophobicContact CD-CB 4.37Å; D664-A669 PolarHBondContact OD1-N 3.14Å; D664-A669 PolarHBondContact OD2-N 2.99Å; D664-A669 VanDerWaalsContact OD2-N 3.16Å; D667-A669 HydrophobicContact CB-CB 3.95Å; D667-A669 PolarHBondContact O-N 2.71Å; A669-C671 PolarHBondContact O-N 3.03Å; A669-C672 PolarHBondContact O-N 3.48Å; A669-C672 PolarHBondContact O-SG 2.95Å
670	L	94.1	Very high	93.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-62.5	-24.2	173.9	-75.1	170.2	0	0	0	112.4	M625 K631 L657 L660 D664 Q668 C672 L673 F711	M625-L670 HydrophobicContact CE-CD2 4.02Å; K631-L670 HydrophobicContact CD-CD2 3.79Å; K631-L670 HydrophobicContact CD-CG 3.98Å; K631-L670 HydrophobicContact CG-CD2 4.07Å; L657-L670 HydrophobicContact CD1-CD1 4.49Å; L660-L670 HydrophobicContact CB-CD1 4.3Å; D664-L670 HydrophobicContact CB-CD1 3.61Å; D664-L670 HydrophobicContact CB-CG 3.86Å; D664-L670 PolarHBondContact OD1-N 3.36Å; D664-L670 VanDerWaalsContact OD2-CB 3.29Å; D664-L670 WeakPolarHBondContact OD2-CB 3.34Å; D664-L670 WeakPolarHBondContact OD2-CG 3.31Å; D664-L670 PolarHBondContact OD2-N 2.93Å; Q668-L670 PolarHBondContact O-N 2.91Å; L670-C672 PolarHBondContact O-N 3.31Å; L670-C672 VanDerWaalsContact O-N 3.17Å; L670-L673 HydrophobicContact CD2-CD1 3.88Å; L670-L673 WeakPolarHBondContact O-CB 3.31Å; L670-L673 WeakPolarHBondContact O-CD1 3.27Å; L670-L673 PolarHBondContact O-N 3.42Å; L670-F711 HydrophobicContact CB-CB 3.78Å; L670-F711 HydrophobicContact CB-CD1 3.92Å; L670-F711 HydrophobicContact CB-CG 3.84Å; L670-F711 HydrophobicContact CD1-CD1 4.37Å; L670-F711 VanDerWaalsContact O-CD2 3.25Å; L670-F711 WeakPolarHBondContact O-CD2 3.44Å
671	C	93.6	Very high	93.7	Very high	57 Å²	57	54.2 Å²	54.2	39%	0.385	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-61.6	-24.9	-179.9	-53.8	0	0	0	0	113.5	A669 L673 V674	A669-C671 PolarHBondContact O-N 3.03Å; C671-L673 PolarHBondContact O-N 3.2Å; C671-L673 VanDerWaalsContact O-N 3.12Å; C671-V674 VanDerWaalsContact O-CG2 3.31Å; C671-V674 WeakPolarHBondContact O-CG2 3.23Å; C671-V674 PolarHBondContact O-N 2.6Å; C671-V674 VanDerWaalsContact O-N 3.17Å
672	C	95.4	Very high	93.8	Very high	53 Å²	53	59.4 Å²	59.4	36%	0.358	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-67.5	-9.3	175.6	74.8	0	0	0	0	114.2	A635 A669 L670	A635-C672 WeakPolarHBondContact CB-O 3.28Å; A669-C672 PolarHBondContact O-N 3.48Å; A669-C672 PolarHBondContact O-SG 2.95Å; L670-C672 PolarHBondContact O-N 3.31Å; L670-C672 VanDerWaalsContact O-N 3.17Å
673	L	96.7	Very high	94	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-87.5	-8.6	175.1	-70	124.7	0	0	0	113.4	M625 K631 V634 A635 L638 I653 L670 C671 E675 P676 V677 F711	M625-L673 HydrophobicContact CE-CD1 3.6Å; M625-L673 HydrophobicContact CE-CD2 3.93Å; M625-L673 HydrophobicContact CE-CG 4.44Å; K631-L673 HydrophobicContact CB-CD1 4.31Å; V634-L673 HydrophobicContact CB-CD2 4.28Å; V634-L673 HydrophobicContact CG1-CD2 3.85Å; A635-L673 HydrophobicContact CB-CD2 4.38Å; A635-L673 HydrophobicContact CB-CG 4.13Å; L638-L673 HydrophobicContact CD1-CD2 4.19Å; I653-L673 HydrophobicContact CD1-CD2 4.12Å; L670-L673 HydrophobicContact CD2-CD1 3.88Å; L670-L673 WeakPolarHBondContact O-CB 3.31Å; L670-L673 WeakPolarHBondContact O-CD1 3.27Å; L670-L673 PolarHBondContact O-N 3.42Å; C671-L673 PolarHBondContact O-N 3.2Å; C671-L673 VanDerWaalsContact O-N 3.12Å; L673-E675 PolarHBondContact O-N 3.07Å; L673-P676 WeakPolarHBondContact O-CD 3.11Å; L673-P676 WeakPolarHBondContact O-CG 3.49Å; L673-V677 HydrophobicContact CB-CG2 4.01Å; L673-V677 HydrophobicContact CD2-CG2 4.43Å; L673-V677 WeakPolarHBondContact O-CB 3.42Å; L673-V677 WeakPolarHBondContact O-CG2 3.49Å; L673-V677 PolarHBondContact O-N 3.49Å; L673-F711 HydrophobicContact CB-CD2 4.46Å; L673-F711 HydrophobicContact CB-CE2 3.69Å; L673-F711 HydrophobicContact CB-CZ 4.03Å
674	V	96.4	Very high	94.3	Very high	41 Å²	41	52 Å²	52	25%	0.248	28%	0.281	C	S	.	.	H	α-helix	trans	-57.9	-51.4	-173.7	171.4	0	0	0	0	112.5	C671 S678 F711 T714 L718	C671-V674 VanDerWaalsContact O-CG2 3.31Å; C671-V674 WeakPolarHBondContact O-CG2 3.23Å; C671-V674 PolarHBondContact O-N 2.6Å; C671-V674 VanDerWaalsContact O-N 3.17Å; V674-S678 VanDerWaalsContact O-CB 3.24Å; V674-S678 WeakPolarHBondContact O-CB 3.45Å; V674-S678 PolarHBondContact O-N 3.48Å; V674-F711 HydrophobicContact CG2-CD2 3.85Å; V674-F711 HydrophobicContact CG2-CE2 4.34Å; V674-T714 HydrophobicContact CG1-CG2 3.8Å; V674-T714 HydrophobicContact CG2-CG2 3.9Å; V674-L718 HydrophobicContact CG1-CD1 4.46Å
675	E	96.7	Very high	94.4	Very high	166 Å²	166	54.9 Å²	54.9	78%	0.776	30%	0.302	S	S	*	.	H	α-helix	trans	-61.9	-56.3	179.5	-65.1	-179.1	166.3	0	0	113.4	L673 V677 S678 A679	L673-E675 PolarHBondContact O-N 3.07Å; E675-V677 VanDerWaalsContact C-N 3.32Å; E675-V677 PolarHBondContact O-N 3.33Å; E675-S678 WeakPolarHBondContact O-CB 3.21Å; E675-S678 PolarHBondContact O-N 2.92Å; E675-A679 PolarHBondContact O-N 3.35Å
676	P	96.9	Very high	94.7	Very high	18 Å²	18	50.7 Å²	50.7	12%	0.117	29%	0.292	C	S	.	.	H	α-helix	trans	-67.1	-30.7	-178.3	26.2	-35.7	0	0	0	112.9	A635 L638 L673 V680	A635-P676 HydrophobicContact CB-CG 4.18Å; L638-P676 HydrophobicContact CB-CB 3.98Å; L638-P676 HydrophobicContact CD1-CB 3.95Å; L638-P676 HydrophobicContact CD1-CG 4.21Å; L673-P676 WeakPolarHBondContact O-CD 3.11Å; L673-P676 WeakPolarHBondContact O-CG 3.49Å; P676-V680 WeakPolarHBondContact O-CG2 2.88Å; P676-V680 PolarHBondContact O-N 3.3Å; P676-V680 VanDerWaalsContact O-N 3.11Å
677	V	97.9	Very high	95.1	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-73	-35.7	175	176.2	0	0	0	0	111.3	L638 V650 L673 E675 V680 I681 L715	L638-V677 HydrophobicContact CD1-CG2 3.94Å; V650-V677 HydrophobicContact CG1-CG1 3.89Å; V650-V677 HydrophobicContact CG2-CG1 4.05Å; V650-V677 HydrophobicContact CG2-CG2 4.11Å; L673-V677 HydrophobicContact CB-CG2 4.01Å; L673-V677 HydrophobicContact CD2-CG2 4.43Å; L673-V677 WeakPolarHBondContact O-CB 3.42Å; L673-V677 WeakPolarHBondContact O-CG2 3.49Å; L673-V677 PolarHBondContact O-N 3.49Å; E675-V677 VanDerWaalsContact C-N 3.32Å; E675-V677 PolarHBondContact O-N 3.33Å; V677-V680 PolarHBondContact O-N 3.02Å; V677-I681 HydrophobicContact CG1-CD1 3.81Å; V677-I681 HydrophobicContact CG1-CG1 4.33Å; V677-I681 WeakPolarHBondContact O-CB 2.97Å; V677-I681 VanDerWaalsContact O-CG1 3.31Å; V677-I681 WeakPolarHBondContact O-CG1 3.35Å; V677-I681 PolarHBondContact O-N 3.13Å; V677-L715 HydrophobicContact CG1-CD1 3.73Å
678	S	97.6	Very high	95.5	Very high	23 Å²	23	46.2 Å²	46.2	16%	0.161	28%	0.282	C	S	.	.	H	α-helix	trans	-59.5	-46	171.2	-175.6	0	0	0	0	111.7	V674 E675 V680 I681 Q682	V674-S678 VanDerWaalsContact O-CB 3.24Å; V674-S678 WeakPolarHBondContact O-CB 3.45Å; V674-S678 PolarHBondContact O-N 3.48Å; E675-S678 WeakPolarHBondContact O-CB 3.21Å; E675-S678 PolarHBondContact O-N 2.92Å; S678-V680 VanDerWaalsContact C-N 3.34Å; S678-V680 PolarHBondContact O-N 3.45Å; S678-I681 PolarHBondContact O-N 2.85Å; S678-Q682 WeakPolarHBondContact O-CG 3.32Å; S678-Q682 PolarHBondContact O-N 3.43Å; S678-Q682 PolarHBondContact OG-NE2 3.2Å
679	A	97.2	Very high	95.9	Very high	60 Å²	60	42.4 Å²	42.4	50%	0.496	26%	0.264	S	S	.	.	H	α-helix	trans	-61.8	-37.9	176.4	0	0	0	0	0	112.9	E675	E675-A679 PolarHBondContact O-N 3.35Å
680	V	97.6	Very high	96.1	Very high	11 Å²	11	45.7 Å²	45.7	7%	0.067	28%	0.284	C	S	.	.	H	α-helix	trans	-67.2	-45.8	173	172.9	0	0	0	0	111.1	L638 A646 A647 V650 P676 V677 S678 Q682 S683 L684	L638-V680 HydrophobicContact CD2-CG2 4.39Å; A646-V680 HydrophobicContact CB-CG1 4.46Å; A646-V680 HydrophobicContact CB-CG2 3.84Å; A647-V680 HydrophobicContact CB-CG1 4.47Å; V650-V680 HydrophobicContact CB-CG1 4.42Å; V650-V680 HydrophobicContact CG2-CB 4.11Å; V650-V680 HydrophobicContact CG2-CG1 3.78Å; V650-V680 HydrophobicContact CG2-CG2 4.5Å; P676-V680 WeakPolarHBondContact O-CG2 2.88Å; P676-V680 PolarHBondContact O-N 3.3Å; P676-V680 VanDerWaalsContact O-N 3.11Å; V677-V680 PolarHBondContact O-N 3.02Å; S678-V680 VanDerWaalsContact C-N 3.34Å; S678-V680 PolarHBondContact O-N 3.45Å; V680-Q682 VanDerWaalsContact C-N 3.32Å; V680-Q682 PolarHBondContact O-N 3.14Å; V680-S683 WeakPolarHBondContact O-CA 3.2Å; V680-S683 WeakPolarHBondContact O-CB 3.47Å; V680-S683 PolarHBondContact O-N 3.33Å; V680-S683 PolarHBondContact O-OG 3.36Å; V680-L684 HydrophobicContact CG1-CD2 4.38Å; V680-L684 PolarHBondContact O-N 3.46Å
681	I	97.4	Very high	96.2	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	30%	0.303	C	S	.	.	H	α-helix	trans	-56.4	-44.4	179.3	-77	168.2	0	0	0	111.6	V677 S678 S683 L684 L689 L692 L715 L718 I719 E722	V677-I681 HydrophobicContact CG1-CD1 3.81Å; V677-I681 HydrophobicContact CG1-CG1 4.33Å; V677-I681 WeakPolarHBondContact O-CB 2.97Å; V677-I681 VanDerWaalsContact O-CG1 3.31Å; V677-I681 WeakPolarHBondContact O-CG1 3.35Å; V677-I681 PolarHBondContact O-N 3.13Å; S678-I681 PolarHBondContact O-N 2.85Å; I681-S683 PolarHBondContact O-N 3.37Å; I681-S683 VanDerWaalsContact O-N 3.12Å; I681-L684 HydrophobicContact CG1-CD1 4.42Å; I681-L684 WeakPolarHBondContact O-CB 3.43Å; I681-L684 PolarHBondContact O-N 3.06Å; I681-L684 VanDerWaalsContact O-N 3.11Å; I681-L689 HydrophobicContact CG2-CD1 3.98Å; I681-L692 HydrophobicContact CD1-CD2 4.42Å; I681-L692 HydrophobicContact CG1-CD2 4.05Å; I681-L715 HydrophobicContact CD1-CD1 3.85Å; I681-L718 HydrophobicContact CD1-CB 3.82Å; I681-L718 HydrophobicContact CD1-CD1 4.44Å; I681-I719 HydrophobicContact CD1-CG1 3.98Å; I681-E722 HydrophobicContact CG2-CB 3.7Å; I681-E722 HydrophobicContact CG2-CG 3.84Å
682	Q	96.2	Very high	96.3	Very high	119 Å²	119	46.7 Å²	46.7	56%	0.556	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-13.8	176.4	-69.1	170.9	14.5	0	0	114.2	S678 V680	S678-Q682 WeakPolarHBondContact O-CG 3.32Å; S678-Q682 PolarHBondContact O-N 3.43Å; S678-Q682 PolarHBondContact OG-NE2 3.2Å; V680-Q682 VanDerWaalsContact C-N 3.32Å; V680-Q682 PolarHBondContact O-N 3.14Å
683	S	95.3	Very high	96.3	Very high	76 Å²	76	46.9 Å²	46.9	53%	0.531	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-5.3	177	77.2	0	0	0	0	114.2	V680 I681	V680-S683 WeakPolarHBondContact O-CA 3.2Å; V680-S683 WeakPolarHBondContact O-CB 3.47Å; V680-S683 PolarHBondContact O-N 3.33Å; V680-S683 PolarHBondContact O-OG 3.36Å; I681-S683 PolarHBondContact O-N 3.37Å; I681-S683 VanDerWaalsContact O-N 3.12Å
684	L	96.1	Very high	96.2	Very high	21 Å²	21	53.3 Å²	53.3	11%	0.11	31%	0.312	C	S	.	.	S	Bend	trans	-73.3	156.4	-178.7	-62.4	-177.9	0	0	0	112	A647 V680 I681 A688 L689 L692 M726	A647-L684 HydrophobicContact CB-CD2 3.58Å; V680-L684 HydrophobicContact CG1-CD2 4.38Å; V680-L684 PolarHBondContact O-N 3.46Å; I681-L684 HydrophobicContact CG1-CD1 4.42Å; I681-L684 WeakPolarHBondContact O-CB 3.43Å; I681-L684 PolarHBondContact O-N 3.06Å; I681-L684 VanDerWaalsContact O-N 3.11Å; L684-A688 HydrophobicContact CB-CB 4.26Å; L684-A688 HydrophobicContact CD2-CB 4.34Å; L684-L689 HydrophobicContact CD1-CD1 4.15Å; L684-L692 HydrophobicContact CD1-CD2 3.76Å; L684-M726 VanDerWaalsContact O-CE 3.23Å; L684-M726 WeakPolarHBondContact O-CE 3.14Å
685	S	95.5	Very high	96.1	Very high	62 Å²	62	53.8 Å²	53.8	43%	0.434	31%	0.312	S	S	.	.			trans	-76.6	157.2	162.7	66.9	0	0	0	0	110.3	S687 A688 L689	S685-S687 PolarHBondContact O-N 2.85Å; S685-S687 VanDerWaalsContact O-N 3.14Å; S685-S687 PolarHBondContact OG-OG 3.02Å; S685-A688 PolarHBondContact O-N 2.86Å; S685-A688 VanDerWaalsContact O-N 3.08Å; S685-A688 WeakPolarHBondContact OG-CB 3.44Å; S685-A688 PolarHBondContact OG-N 3.18Å; S685-A688 VanDerWaalsContact OG-N 3.15Å; S685-L689 WeakPolarHBondContact O-CB 3.25Å; S685-L689 PolarHBondContact O-N 3.07Å
686	S	94.8	Very high	95.9	Very high	66 Å²	66	46 Å²	46	46%	0.462	28%	0.275	S	S	.	.	H	α-helix	trans	-52.5	-35.7	172.9	179.3	0	0	0	0	112.8	L689 T690	S686-L689 PolarHBondContact O-N 3.37Å; S686-T690 PolarHBondContact O-N 2.85Å; S686-T690 PolarHBondContact O-OG1 3.28Å
687	S	95.3	Very high	95.7	Very high	71 Å²	71	50.5 Å²	50.5	50%	0.497	30%	0.295	S	S	.	.	H	α-helix	trans	-68.5	-47.2	175.7	63.8	0	0	0	0	112.7	S685 L689 T690 D691	S685-S687 PolarHBondContact O-N 2.85Å; S685-S687 VanDerWaalsContact O-N 3.14Å; S685-S687 PolarHBondContact OG-OG 3.02Å; S687-L689 PolarHBondContact O-N 2.92Å; S687-T690 WeakPolarHBondContact CA-OG1 3.46Å; S687-T690 PolarHBondContact O-N 3.27Å; S687-T690 VanDerWaalsContact O-N 3.12Å; S687-T690 PolarHBondContact O-OG1 2.87Å; S687-D691 PolarHBondContact O-N 3.34Å
688	A	95.6	Very high	95.1	Very high	26 Å²	26	52.2 Å²	52.2	22%	0.215	31%	0.313	C	S	.	.	H	α-helix	trans	-64.7	-29	177.4	0	0	0	0	0	111.8	L684 S685 L692	L684-A688 HydrophobicContact CB-CB 4.26Å; L684-A688 HydrophobicContact CD2-CB 4.34Å; S685-A688 PolarHBondContact O-N 2.86Å; S685-A688 VanDerWaalsContact O-N 3.08Å; S685-A688 WeakPolarHBondContact OG-CB 3.44Å; S685-A688 PolarHBondContact OG-N 3.18Å; S685-A688 VanDerWaalsContact OG-N 3.15Å; A688-L692 VanDerWaalsContact O-CB 3.26Å; A688-L692 WeakPolarHBondContact O-CB 3.32Å; A688-L692 PolarHBondContact O-N 3.21Å
689	L	96.3	Very high	94.3	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.037	33%	0.33	C	S	.	.	H	α-helix	trans	-71.2	-38	173.4	-166.2	66.8	0	0	0	112.3	I681 L684 S685 S686 S687 L692 L693 I719 E722 M726	I681-L689 HydrophobicContact CG2-CD1 3.98Å; L684-L689 HydrophobicContact CD1-CD1 4.15Å; S685-L689 WeakPolarHBondContact O-CB 3.25Å; S685-L689 PolarHBondContact O-N 3.07Å; S686-L689 PolarHBondContact O-N 3.37Å; S687-L689 PolarHBondContact O-N 2.92Å; L689-L692 PolarHBondContact O-N 3.47Å; L689-L693 PolarHBondContact O-N 3.45Å; L689-I719 HydrophobicContact CD1-CB 4.4Å; L689-I719 HydrophobicContact CD1-CG1 4.45Å; L689-I719 HydrophobicContact CD1-CG2 3.99Å; L689-I719 HydrophobicContact CG-CG2 4.27Å; L689-E722 HydrophobicContact CD2-CB 4.08Å; L689-E722 HydrophobicContact CD2-CG 3.98Å; L689-M726 HydrophobicContact CD2-CE 4.44Å; L689-M726 HydrophobicContact CD2-SD 4.2Å
690	T	95.3	Very high	93.4	Very high	80 Å²	80	60.7 Å²	60.7	49%	0.491	35%	0.353	S	S	.	.	H	α-helix	trans	-68.5	-37.8	170.7	48.3	0	0	0	0	112.6	S686 S687 L692 L693 Q694	S686-T690 PolarHBondContact O-N 2.85Å; S686-T690 PolarHBondContact O-OG1 3.28Å; S687-T690 WeakPolarHBondContact CA-OG1 3.46Å; S687-T690 PolarHBondContact O-N 3.27Å; S687-T690 VanDerWaalsContact O-N 3.12Å; S687-T690 PolarHBondContact O-OG1 2.87Å; T690-L692 VanDerWaalsContact C-N 3.34Å; T690-L693 PolarHBondContact O-N 2.94Å; T690-Q694 WeakPolarHBondContact O-CB 3.18Å; T690-Q694 PolarHBondContact O-N 3.42Å
691	D	95.9	Very high	92.7	Very high	77 Å²	77	62.6 Å²	62.6	41%	0.412	37%	0.374	S	S	.	.	H	α-helix	trans	-63.2	-42.3	174.9	-59.5	-29.5	0	0	0	110.4	M651 S687 Q694 E695	M651-D691 HydrophobicContact CE-CB 3.72Å; S687-D691 PolarHBondContact O-N 3.34Å; D691-Q694 PolarHBondContact O-N 2.93Å; D691-E695 PolarHBondContact O-N 3.28Å
692	L	96.3	Very high	92.3	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.005	38%	0.383	C	S	.	.	H	α-helix	trans	-64.3	-40	176.3	179.9	59.1	0	0	0	112.6	V650 M651 A654 I681 L684 A688 L689 T690 Q694 E695 L696 I719	V650-L692 HydrophobicContact CG1-CD1 3.88Å; V650-L692 HydrophobicContact CG1-CD2 3.82Å; M651-L692 WeakPolarHBondContact SD-CA 3.43Å; M651-L692 HydrophobicContact SD-CB 3.62Å; M651-L692 HydrophobicContact SD-CD1 3.71Å; M651-L692 HydrophobicContact SD-CG 4.24Å; A654-L692 HydrophobicContact CB-CD1 3.55Å; I681-L692 HydrophobicContact CD1-CD2 4.42Å; I681-L692 HydrophobicContact CG1-CD2 4.05Å; L684-L692 HydrophobicContact CD1-CD2 3.76Å; A688-L692 VanDerWaalsContact O-CB 3.26Å; A688-L692 WeakPolarHBondContact O-CB 3.32Å; A688-L692 PolarHBondContact O-N 3.21Å; L689-L692 PolarHBondContact O-N 3.47Å; T690-L692 VanDerWaalsContact C-N 3.34Å; L692-Q694 VanDerWaalsContact C-N 3.32Å; L692-E695 PolarHBondContact O-N 3.41Å; L692-L696 WeakPolarHBondContact O-CB 3.46Å; L692-L696 PolarHBondContact O-N 3.46Å; L692-I719 HydrophobicContact CD2-CD1 3.96Å; L692-I719 HydrophobicContact CD2-CG1 3.86Å; L692-I719 HydrophobicContact CG-CD1 3.77Å; L692-I719 HydrophobicContact CG-CG1 4.16Å
693	L	95.4	Very high	92.1	Very high	57 Å²	57	61.5 Å²	61.5	30%	0.298	37%	0.371	S	S	.	.	H	α-helix	trans	-64	-38.7	173.3	-176.4	58.5	0	0	0	111.5	L689 T690 L696 Q697 L716 I719 L720	L689-L693 PolarHBondContact O-N 3.45Å; T690-L693 PolarHBondContact O-N 2.94Å; L693-L696 PolarHBondContact O-N 3.21Å; L693-Q697 WeakPolarHBondContact O-CB 3.38Å; L693-Q697 PolarHBondContact O-N 3.3Å; L693-L716 HydrophobicContact CD1-CD1 3.76Å; L693-I719 HydrophobicContact CB-CG2 3.92Å; L693-I719 HydrophobicContact CD1-CG2 4.11Å; L693-I719 HydrophobicContact CG-CG2 4.47Å; L693-L720 HydrophobicContact CD1-CD2 4.45Å; L693-L720 HydrophobicContact CD2-CD2 4.29Å
694	Q	94.7	Very high	91.9	Very high	135 Å²	135	60.5 Å²	60.5	63%	0.631	37%	0.367	S	S	*	.	H	α-helix	trans	-67.4	-41.8	177.3	-173.3	172.9	-7	0	0	112.1	T690 D691 L692 L696 Q697 G698	T690-Q694 WeakPolarHBondContact O-CB 3.18Å; T690-Q694 PolarHBondContact O-N 3.42Å; D691-Q694 PolarHBondContact O-N 2.93Å; L692-Q694 VanDerWaalsContact C-N 3.32Å; Q694-L696 VanDerWaalsContact C-N 3.34Å; Q694-Q697 PolarHBondContact O-N 2.93Å; Q694-G698 PolarHBondContact O-N 3.38Å
695	E	93.8	Very high	91.6	Very high	51 Å²	51	60.9 Å²	60.9	24%	0.238	37%	0.373	C	S	.	.	H	α-helix	trans	-67.2	-31.6	173.8	-74.3	-75.6	-152.7	0	0	112.6	M651 A654 R655 D691 L692 Q702	M651-E695 HydrophobicContact CE-CG 3.78Å; A654-E695 HydrophobicContact CB-CB 4.49Å; R655-E695 HydrophobicContact CB-CB 4.36Å; R655-E695 WeakPolarHBondContact CB-OE2 3.18Å; R655-E695 VanDerWaalsContact CD-OE2 3.28Å; R655-E695 WeakPolarHBondContact CD-OE2 3.26Å; R655-E695 WeakPolarHBondContact CG-OE2 3.46Å; R655-E695 IonicContact CZ-OE1 3.21Å; R655-E695 IonicContact NE-OE1 3.1Å; R655-E695 IonicContact NH1-OE1 2.93Å; R655-E695 PolarHBondContact NH1-OE1 3.21Å; D691-E695 PolarHBondContact O-N 3.28Å; L692-E695 PolarHBondContact O-N 3.41Å; E695-Q702 PolarHBondContact O-NE2 3.26Å
696	L	93.1	Very high	91.4	Very high	1 Å²	1	58 Å²	58	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-73	-36.7	173.1	-176.5	59.2	0	0	0	112.5	A654 L657 L692 L693 Q694 A706 L715 L716 I719	A654-L696 HydrophobicContact CB-CB 4.28Å; L657-L696 HydrophobicContact CD2-CD1 3.56Å; L692-L696 WeakPolarHBondContact O-CB 3.46Å; L692-L696 PolarHBondContact O-N 3.46Å; L693-L696 PolarHBondContact O-N 3.21Å; Q694-L696 VanDerWaalsContact C-N 3.34Å; L696-A706 HydrophobicContact CD1-CB 4.07Å; L696-L715 HydrophobicContact CD1-CD2 4.26Å; L696-L715 HydrophobicContact CD2-CG 4.29Å; L696-L716 HydrophobicContact CD2-CB 3.95Å; L696-L716 HydrophobicContact CD2-CD1 3.95Å; L696-I719 HydrophobicContact CD2-CD1 3.65Å
697	Q	91.6	Very high	91.2	Very high	114 Å²	114	58.9 Å²	58.9	53%	0.533	35%	0.352	S	S	.	.	H	α-helix	trans	-66.1	-49.7	175.1	-176.8	175.2	4.2	0	0	111	L693 Q694 Q702 L703	L693-Q697 WeakPolarHBondContact O-CB 3.38Å; L693-Q697 PolarHBondContact O-N 3.3Å; Q694-Q697 PolarHBondContact O-N 2.93Å; Q697-Q702 WeakPolarHBondContact O-CB 3.4Å; Q697-L703 PolarHBondContact O-N 3.46Å
698	G	86.6	Confident	91	Very high	37 Å²	37	63.4 Å²	63.4	38%	0.381	37%	0.366	S	S	.	.			trans	59.8	-150.2	173.6	0	0	0	0	0	115.2	Q694	Q694-G698 PolarHBondContact O-N 3.38Å
699	G	80.7	Confident	90.8	Very high	50 Å²	50	62.9 Å²	62.9	52%	0.515	36%	0.359	S	S	.	.	S	Bend	trans	-79	178	174.5	0	0	0	0	0	113.5	G701 Q702	G699-G701 PolarHBondContact O-N 3.42Å; G699-Q702 WeakPolarHBondContact O-CB 3.28Å; G699-Q702 PolarHBondContact O-N 3.08Å
700	E	78.6	Confident	90.7	Very high	211 Å²	211	70 Å²	70	99%	0.986	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	125	179.4	-67.6	-167.5	147.1	0	0	112.2	Q702	E700-Q702 VanDerWaalsContact C-N 3.33Å; E700-Q702 PolarHBondContact O-N 2.93Å
701	G	81.4	Confident	90.7	Very high	50 Å²	50	66.3 Å²	66.3	52%	0.515	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	-7.1	179.8	0	0	0	0	0	116.3	G699 A704 A705	G699-G701 PolarHBondContact O-N 3.42Å; G701-A704 PolarHBondContact O-N 3.31Å; G701-A705 PolarHBondContact O-N 3.49Å
702	Q	90.4	Very high	90.7	Very high	41 Å²	41	62.7 Å²	62.7	19%	0.192	35%	0.348	C	S	.	.	H	α-helix	trans	-62.9	-53.1	178.5	169.4	150.7	-19.9	0	0	112	R655 P658 E695 Q697 G699 E700 A704 A705 A706	R655-Q702 PolarHBondContact O-NE2 3.33Å; R655-Q702 VanDerWaalsContact O-NE2 3.17Å; P658-Q702 HydrophobicContact CG-CB 4.45Å; P658-Q702 HydrophobicContact CG-CG 3.85Å; E695-Q702 PolarHBondContact O-NE2 3.26Å; Q697-Q702 WeakPolarHBondContact O-CB 3.4Å; G699-Q702 WeakPolarHBondContact O-CB 3.28Å; G699-Q702 PolarHBondContact O-N 3.08Å; E700-Q702 VanDerWaalsContact C-N 3.33Å; E700-Q702 PolarHBondContact O-N 2.93Å; Q702-A704 VanDerWaalsContact C-N 3.27Å; Q702-A704 PolarHBondContact O-N 3.42Å; Q702-A705 PolarHBondContact O-N 2.87Å; Q702-A705 VanDerWaalsContact O-N 3.08Å; Q702-A706 PolarHBondContact O-N 2.78Å
703	L	91.1	Very high	90.7	Very high	57 Å²	57	65.9 Å²	65.9	30%	0.298	37%	0.367	S	S	.	.	H	α-helix	trans	-55.8	-40.2	174.3	-174.6	60	0	0	0	112.6	Q697 A705 A706 L707 L716	Q697-L703 PolarHBondContact O-N 3.46Å; L703-A705 VanDerWaalsContact C-N 3.33Å; L703-A705 PolarHBondContact O-N 3.11Å; L703-A706 WeakPolarHBondContact O-CB 3.42Å; L703-A706 PolarHBondContact O-N 3.01Å; L703-L707 HydrophobicContact CD1-CG 4.46Å; L703-L707 HydrophobicContact CG-CD1 4.15Å; L703-L707 VanDerWaalsContact O-CG 3.31Å; L703-L707 WeakPolarHBondContact O-CG 3.49Å; L703-L707 PolarHBondContact O-N 3.35Å; L703-L716 HydrophobicContact CD1-CD2 4.32Å
704	A	91.8	Very high	90.7	Very high	55 Å²	55	65.6 Å²	65.6	46%	0.455	37%	0.368	S	S	.	.	H	α-helix	trans	-65.8	-34.7	178.2	0	0	0	0	0	112.5	G701 Q702 Q708	G701-A704 PolarHBondContact O-N 3.31Å; Q702-A704 VanDerWaalsContact C-N 3.27Å; Q702-A704 PolarHBondContact O-N 3.42Å; A704-Q708 WeakPolarHBondContact O-CG 3.43Å; A704-Q708 PolarHBondContact O-N 3.13Å
705	A	89.9	Confident	90.8	Very high	29 Å²	29	59.2 Å²	59.2	24%	0.24	34%	0.338	C	S	.	.	H	α-helix	trans	-74.7	-30.7	173.6	0	0	0	0	0	112.8	P658 G701 Q702 L703	P658-A705 HydrophobicContact CB-CB 3.94Å; P658-A705 HydrophobicContact CG-CB 4.17Å; G701-A705 PolarHBondContact O-N 3.49Å; Q702-A705 PolarHBondContact O-N 2.87Å; Q702-A705 VanDerWaalsContact O-N 3.08Å; L703-A705 VanDerWaalsContact C-N 3.33Å; L703-A705 PolarHBondContact O-N 3.11Å
706	A	89.8	Confident	91	Very high	1 Å²	1	58.3 Å²	58.3	1%	0.008	34%	0.335	C	S	.	.	H	α-helix	trans	-66.4	-44.9	172	0	0	0	0	0	111.7	L657 L696 Q702 L703 Q708 N709	L657-A706 HydrophobicContact CD2-CB 3.59Å; L657-A706 HydrophobicContact CG-CB 4.36Å; L696-A706 HydrophobicContact CD1-CB 4.07Å; Q702-A706 PolarHBondContact O-N 2.78Å; L703-A706 WeakPolarHBondContact O-CB 3.42Å; L703-A706 PolarHBondContact O-N 3.01Å; A706-Q708 PolarHBondContact O-N 3.13Å; A706-N709 PolarHBondContact O-N 3.15Å
707	L	91.9	Very high	91.2	Very high	85 Å²	85	64.7 Å²	64.7	45%	0.445	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.4	178.5	-70.4	171.4	0	0	0	114.1	L703 N709 V713 L716	L703-L707 HydrophobicContact CD1-CG 4.46Å; L703-L707 HydrophobicContact CG-CD1 4.15Å; L703-L707 VanDerWaalsContact O-CG 3.31Å; L703-L707 WeakPolarHBondContact O-CG 3.49Å; L703-L707 PolarHBondContact O-N 3.35Å; L707-N709 VanDerWaalsContact C-N 3.27Å; L707-V713 HydrophobicContact CD2-CG2 4.1Å; L707-V713 WeakPolarHBondContact O-CG2 3.49Å; L707-L716 HydrophobicContact CD2-CD2 3.78Å
708	Q	90.9	Very high	91.4	Very high	167 Å²	167	60.4 Å²	60.4	78%	0.78	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.7	172	-72.3	174.4	17	0	0	113.6	A704 A706	A704-Q708 WeakPolarHBondContact O-CG 3.43Å; A704-Q708 PolarHBondContact O-N 3.13Å; A706-Q708 PolarHBondContact O-N 3.13Å
709	N	92.2	Very high	91.9	Very high	15 Å²	15	58.8 Å²	58.8	8%	0.08	33%	0.326	C	S	.	.	S	Bend	trans	-122.4	134.5	-178.8	177.2	-88.7	0	0	0	110.8	A661 A706 L707 F711 G712 V713	A661-N709 HydrophobicContact CB-CB 3.86Å; A706-N709 PolarHBondContact O-N 3.15Å; L707-N709 VanDerWaalsContact C-N 3.27Å; N709-F711 PolarHBondContact O-N 3.08Å; N709-F711 WeakPolarHBondContact OD1-CB 3.33Å; N709-F711 PolarHBondContact OD1-N 3.46Å; N709-F711 VanDerWaalsContact OD1-N 3.1Å; N709-G712 WeakPolarHBondContact O-CA 3.41Å; N709-G712 PolarHBondContact O-N 3.46Å; N709-G712 PolarHBondContact OD1-N 3.1Å; N709-G712 VanDerWaalsContact OD1-N 3.11Å; N709-V713 PolarHBondContact O-N 2.93Å
710	K	93.8	Very high	92.7	Very high	156 Å²	156	60.7 Å²	60.7	68%	0.678	32%	0.324	S	S	*	.	H	α-helix	trans	-52.3	-53.3	-178.3	-67.5	-175.8	177.7	-177	0	112.2	G712 V713 T714	K710-G712 VanDerWaalsContact C-N 3.29Å; K710-G712 PolarHBondContact O-N 3.39Å; K710-V713 PolarHBondContact O-N 3.45Å; K710-T714 PolarHBondContact O-N 2.82Å; K710-T714 PolarHBondContact O-OG1 2.92Å; K710-T714 VanDerWaalsContact O-OG1 3.12Å
711	F	95.6	Very high	93.6	Very high	3 Å²	3	52.6 Å²	52.6	1%	0.013	29%	0.29	C	S	.	.	H	α-helix	trans	-62.5	-34.6	177.9	169.9	-99.2	0	0	0	112.4	I653 L657 L670 L673 V674 N709 T714 L715	I653-F711 HydrophobicContact CG2-CE1 3.9Å; I653-F711 HydrophobicContact CG2-CZ 4.2Å; L657-F711 HydrophobicContact CD1-CD1 3.91Å; L657-F711 HydrophobicContact CD1-CE1 4.09Å; L670-F711 HydrophobicContact CB-CB 3.78Å; L670-F711 HydrophobicContact CB-CD1 3.92Å; L670-F711 HydrophobicContact CB-CG 3.84Å; L670-F711 HydrophobicContact CD1-CD1 4.37Å; L670-F711 VanDerWaalsContact O-CD2 3.25Å; L670-F711 WeakPolarHBondContact O-CD2 3.44Å; L673-F711 HydrophobicContact CB-CD2 4.46Å; L673-F711 HydrophobicContact CB-CE2 3.69Å; L673-F711 HydrophobicContact CB-CZ 4.03Å; V674-F711 HydrophobicContact CG2-CD2 3.85Å; V674-F711 HydrophobicContact CG2-CE2 4.34Å; N709-F711 PolarHBondContact O-N 3.08Å; N709-F711 WeakPolarHBondContact OD1-CB 3.33Å; N709-F711 PolarHBondContact OD1-N 3.46Å; N709-F711 VanDerWaalsContact OD1-N 3.1Å; F711-T714 PolarHBondContact O-N 2.95Å; F711-L715 HydrophobicContact CE1-CD2 4.26Å; F711-L715 HydrophobicContact CZ-CD2 4.46Å; F711-L715 VanDerWaalsContact O-CB 3.28Å; F711-L715 WeakPolarHBondContact O-CB 3.48Å; F711-L715 PolarHBondContact O-N 2.92Å
712	G	95.1	Very high	94.3	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-38.8	175.6	0	0	0	0	0	114.2	N709 K710 L716	N709-G712 WeakPolarHBondContact O-CA 3.41Å; N709-G712 PolarHBondContact O-N 3.46Å; N709-G712 PolarHBondContact OD1-N 3.1Å; N709-G712 VanDerWaalsContact OD1-N 3.11Å; K710-G712 VanDerWaalsContact C-N 3.29Å; K710-G712 PolarHBondContact O-N 3.39Å; G712-L716 PolarHBondContact O-N 3.18Å; G712-L716 VanDerWaalsContact O-N 3.14Å
713	V	95.7	Very high	94.6	Very high	68 Å²	68	49.4 Å²	49.4	41%	0.412	27%	0.265	S	S	.	.	H	α-helix	trans	-66.2	-45.8	171.9	178.3	0	0	0	0	110.6	L707 N709 K710 L715 L716 F717	L707-V713 HydrophobicContact CD2-CG2 4.1Å; L707-V713 WeakPolarHBondContact O-CG2 3.49Å; N709-V713 PolarHBondContact O-N 2.93Å; K710-V713 PolarHBondContact O-N 3.45Å; V713-L715 VanDerWaalsContact C-N 3.34Å; V713-L715 PolarHBondContact O-N 3.16Å; V713-L716 PolarHBondContact O-N 3.1Å; V713-F717 PolarHBondContact O-N 3.43Å
714	T	96.6	Very high	94.8	Very high	50 Å²	50	53.1 Å²	53.1	31%	0.307	28%	0.282	S	S	.	.	H	α-helix	trans	-61.7	-40.2	177	-52.9	0	0	0	0	112.1	V674 K710 F711 F717 L718	V674-T714 HydrophobicContact CG1-CG2 3.8Å; V674-T714 HydrophobicContact CG2-CG2 3.9Å; K710-T714 PolarHBondContact O-N 2.82Å; K710-T714 PolarHBondContact O-OG1 2.92Å; K710-T714 VanDerWaalsContact O-OG1 3.12Å; F711-T714 PolarHBondContact O-N 2.95Å; T714-F717 PolarHBondContact O-N 2.94Å; T714-L718 HydrophobicContact CG2-CD1 4.31Å; T714-L718 HydrophobicContact CG2-CG 4.47Å; T714-L718 WeakPolarHBondContact O-CG 3.45Å; T714-L718 PolarHBondContact O-N 2.89Å
715	L	96.7	Very high	95	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-62.7	-44.8	177	-179.7	59.8	0	0	0	111.6	A654 L657 V677 I681 L696 F711 V713 F717 L718 I719	A654-L715 HydrophobicContact CB-CD2 4.42Å; L657-L715 HydrophobicContact CD2-CD2 4.33Å; V677-L715 HydrophobicContact CG1-CD1 3.73Å; I681-L715 HydrophobicContact CD1-CD1 3.85Å; L696-L715 HydrophobicContact CD1-CD2 4.26Å; L696-L715 HydrophobicContact CD2-CG 4.29Å; F711-L715 HydrophobicContact CE1-CD2 4.26Å; F711-L715 HydrophobicContact CZ-CD2 4.46Å; F711-L715 VanDerWaalsContact O-CB 3.28Å; F711-L715 WeakPolarHBondContact O-CB 3.48Å; F711-L715 PolarHBondContact O-N 2.92Å; V713-L715 VanDerWaalsContact C-N 3.34Å; V713-L715 PolarHBondContact O-N 3.16Å; L715-F717 VanDerWaalsContact C-N 3.34Å; L715-F717 PolarHBondContact O-N 3.46Å; L715-L718 PolarHBondContact O-N 3.12Å; L715-I719 HydrophobicContact CD1-CD1 4.05Å; L715-I719 HydrophobicContact CD1-CG1 4.44Å; L715-I719 HydrophobicContact CG-CD1 3.95Å; L715-I719 WeakPolarHBondContact O-CD1 3.33Å; L715-I719 VanDerWaalsContact O-CG1 3.27Å; L715-I719 WeakPolarHBondContact O-CG1 3.21Å; L715-I719 PolarHBondContact O-N 2.83Å; L715-I719 VanDerWaalsContact O-N 3.09Å
716	L	96.7	Very high	95.1	Very high	33 Å²	33	58.6 Å²	58.6	17%	0.173	29%	0.287	C	S	.	.	H	α-helix	trans	-60.8	-44	174.6	-178.6	63.6	0	0	0	111.4	L693 L696 L703 L707 G712 V713 I719 L720	L693-L716 HydrophobicContact CD1-CD1 3.76Å; L696-L716 HydrophobicContact CD2-CB 3.95Å; L696-L716 HydrophobicContact CD2-CD1 3.95Å; L703-L716 HydrophobicContact CD1-CD2 4.32Å; L707-L716 HydrophobicContact CD2-CD2 3.78Å; G712-L716 PolarHBondContact O-N 3.18Å; G712-L716 VanDerWaalsContact O-N 3.14Å; V713-L716 PolarHBondContact O-N 3.1Å; L716-I719 PolarHBondContact O-N 2.85Å; L716-L720 HydrophobicContact CD1-CD1 3.99Å; L716-L720 HydrophobicContact CD1-CG 4.17Å; L716-L720 HydrophobicContact CG-CD1 3.91Å; L716-L720 HydrophobicContact CG-CG 4.44Å; L716-L720 VanDerWaalsContact O-CG 3.31Å; L716-L720 WeakPolarHBondContact O-CG 3.38Å; L716-L720 PolarHBondContact O-N 3.32Å
717	F	97.1	Very high	95.1	Very high	135 Å²	135	66.3 Å²	66.3	59%	0.592	32%	0.323	S	S	*	.	H	α-helix	trans	-58.8	-49.6	176.6	172.6	-100.9	0	0	0	111.7	V713 T714 L715 I719 L720 S721	V713-F717 PolarHBondContact O-N 3.43Å; T714-F717 PolarHBondContact O-N 2.94Å; L715-F717 VanDerWaalsContact C-N 3.34Å; L715-F717 PolarHBondContact O-N 3.46Å; F717-I719 VanDerWaalsContact C-N 3.33Å; F717-I719 PolarHBondContact O-N 3.43Å; F717-L720 PolarHBondContact O-N 2.9Å; F717-S721 WeakPolarHBondContact O-CB 3.4Å; F717-S721 PolarHBondContact O-N 3.19Å; F717-S721 PolarHBondContact O-OG 3.1Å; F717-S721 VanDerWaalsContact O-OG 3.07Å
718	L	97.4	Very high	94.7	Very high	23 Å²	23	69.3 Å²	69.3	12%	0.12	35%	0.351	C	S	.	.	H	α-helix	trans	-57.6	-43.5	178.8	-72	171.8	0	0	0	112.4	V674 I681 T714 L715 S721 E722	V674-L718 HydrophobicContact CG1-CD1 4.46Å; I681-L718 HydrophobicContact CD1-CB 3.82Å; I681-L718 HydrophobicContact CD1-CD1 4.44Å; T714-L718 HydrophobicContact CG2-CD1 4.31Å; T714-L718 HydrophobicContact CG2-CG 4.47Å; T714-L718 WeakPolarHBondContact O-CG 3.45Å; T714-L718 PolarHBondContact O-N 2.89Å; L715-L718 PolarHBondContact O-N 3.12Å; L718-S721 PolarHBondContact O-OG 3.19Å; L718-S721 VanDerWaalsContact O-OG 3.14Å; L718-E722 WeakPolarHBondContact O-CB 3.45Å; L718-E722 PolarHBondContact O-N 2.92Å; L718-E722 VanDerWaalsContact O-N 3.09Å
719	I	96.9	Very high	94.9	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.015	33%	0.33	C	S	.	.	H	α-helix	trans	-63.5	-45.1	178	-67.6	161	0	0	0	110.9	I681 L689 L692 L693 L696 L715 L716 F717 G723	I681-I719 HydrophobicContact CD1-CG1 3.98Å; L689-I719 HydrophobicContact CD1-CB 4.4Å; L689-I719 HydrophobicContact CD1-CG1 4.45Å; L689-I719 HydrophobicContact CD1-CG2 3.99Å; L689-I719 HydrophobicContact CG-CG2 4.27Å; L692-I719 HydrophobicContact CD2-CD1 3.96Å; L692-I719 HydrophobicContact CD2-CG1 3.86Å; L692-I719 HydrophobicContact CG-CD1 3.77Å; L692-I719 HydrophobicContact CG-CG1 4.16Å; L693-I719 HydrophobicContact CB-CG2 3.92Å; L693-I719 HydrophobicContact CD1-CG2 4.11Å; L693-I719 HydrophobicContact CG-CG2 4.47Å; L696-I719 HydrophobicContact CD2-CD1 3.65Å; L715-I719 HydrophobicContact CD1-CD1 4.05Å; L715-I719 HydrophobicContact CD1-CG1 4.44Å; L715-I719 HydrophobicContact CG-CD1 3.95Å; L715-I719 WeakPolarHBondContact O-CD1 3.33Å; L715-I719 VanDerWaalsContact O-CG1 3.27Å; L715-I719 WeakPolarHBondContact O-CG1 3.21Å; L715-I719 PolarHBondContact O-N 2.83Å; L715-I719 VanDerWaalsContact O-N 3.09Å; L716-I719 PolarHBondContact O-N 2.85Å; F717-I719 VanDerWaalsContact C-N 3.33Å; F717-I719 PolarHBondContact O-N 3.43Å; I719-G723 PolarHBondContact O-N 2.97Å
720	L	96.6	Very high	95	Very high	91 Å²	91	67.1 Å²	67.1	48%	0.476	34%	0.343	S	S	.	.	H	α-helix	trans	-70.9	-42.5	-178.6	-68	175.4	0	0	0	112.3	L693 L716 F717 E722 G723 E724	L693-L720 HydrophobicContact CD1-CD2 4.45Å; L693-L720 HydrophobicContact CD2-CD2 4.29Å; L716-L720 HydrophobicContact CD1-CD1 3.99Å; L716-L720 HydrophobicContact CD1-CG 4.17Å; L716-L720 HydrophobicContact CG-CD1 3.91Å; L716-L720 HydrophobicContact CG-CG 4.44Å; L716-L720 VanDerWaalsContact O-CG 3.31Å; L716-L720 WeakPolarHBondContact O-CG 3.38Å; L716-L720 PolarHBondContact O-N 3.32Å; F717-L720 PolarHBondContact O-N 2.9Å; L720-E722 VanDerWaalsContact C-N 3.35Å; L720-E722 PolarHBondContact O-N 3.28Å; L720-G723 PolarHBondContact O-N 2.76Å; L720-E724 PolarHBondContact O-N 3.45Å
721	S	97.1	Very high	95.1	Very high	40 Å²	40	62.1 Å²	62.1	28%	0.28	33%	0.325	S	S	.	.	H	α-helix	trans	-65	-38.5	178.4	59.7	0	0	0	0	112.2	F717 L718 G723 R725	F717-S721 WeakPolarHBondContact O-CB 3.4Å; F717-S721 PolarHBondContact O-N 3.19Å; F717-S721 PolarHBondContact O-OG 3.1Å; F717-S721 VanDerWaalsContact O-OG 3.07Å; L718-S721 PolarHBondContact O-OG 3.19Å; L718-S721 VanDerWaalsContact O-OG 3.14Å; S721-G723 VanDerWaalsContact C-N 3.35Å; S721-R725 WeakPolarHBondContact O-CB 3.39Å; S721-R725 PolarHBondContact O-N 2.69Å
722	E	97.1	Very high	95.1	Very high	11 Å²	11	65.6 Å²	65.6	5%	0.051	34%	0.343	C	S	.	.	H	α-helix	trans	-70.3	-34.6	174.6	-173.8	63.5	-172.9	0	0	111.4	I681 L689 L718 L720 R725 M726	I681-E722 HydrophobicContact CG2-CB 3.7Å; I681-E722 HydrophobicContact CG2-CG 3.84Å; L689-E722 HydrophobicContact CD2-CB 4.08Å; L689-E722 HydrophobicContact CD2-CG 3.98Å; L718-E722 WeakPolarHBondContact O-CB 3.45Å; L718-E722 PolarHBondContact O-N 2.92Å; L718-E722 VanDerWaalsContact O-N 3.09Å; L720-E722 VanDerWaalsContact C-N 3.35Å; L720-E722 PolarHBondContact O-N 3.28Å; E722-R725 VanDerWaalsContact CD-NE 3.28Å; E722-R725 CarbonylContact O-C 3.59Å; E722-R725 PolarHBondContact O-N 2.64Å; E722-R725 IonicContact OE1-CZ 3.25Å; E722-R725 VanDerWaalsContact OE1-CZ 3.29Å; E722-R725 IonicContact OE1-NE 3.29Å; E722-R725 PolarHBondContact OE1-NE 2.83Å; E722-R725 VanDerWaalsContact OE1-NE 3.14Å; E722-R725 IonicContact OE1-NH2 2.64Å; E722-R725 PolarHBondContact OE1-NH2 3.01Å; E722-R725 WeakPolarHBondContact OE2-CD 3.41Å; E722-R725 IonicContact OE2-CZ 2.68Å; E722-R725 IonicContact OE2-NE 3.75Å; E722-R725 PolarHBondContact OE2-NE 3.09Å; E722-R725 IonicContact OE2-NH2 3.48Å; E722-M726 HydrophobicContact CG-CE 3.87Å; E722-M726 WeakPolarHBondContact O-CG 3.16Å; E722-M726 PolarHBondContact O-N 2.79Å; E722-M726 WeakPolarHBondContact OE1-CE 3.29Å
723	G	95.7	Very high	95.1	Very high	13 Å²	13	69.6 Å²	69.6	13%	0.134	36%	0.364	C	S	.	.	H	α-helix	trans	-64	-42.6	174.5	0	0	0	0	0	112.9	I719 L720 S721 M726 Q727	I719-G723 PolarHBondContact O-N 2.97Å; L720-G723 PolarHBondContact O-N 2.76Å; S721-G723 VanDerWaalsContact C-N 3.35Å; G723-M726 PolarHBondContact O-N 3.5Å; G723-Q727 WeakPolarHBondContact O-CG 3.33Å; G723-Q727 PolarHBondContact O-N 2.99Å
724	E	95.9	Very high	95	Very high	136 Å²	136	69.7 Å²	69.7	64%	0.636	36%	0.36	S	S	*	.	H	α-helix	trans	-62.5	-43.4	172.1	-176.4	174.7	-163.1	0	0	111.3	L720 M726 Q727 S728	L720-E724 PolarHBondContact O-N 3.45Å; E724-M726 PolarHBondContact O-N 3.23Å; E724-Q727 PolarHBondContact O-N 2.93Å; E724-Q727 VanDerWaalsContact O-N 3.08Å; E724-S728 WeakPolarHBondContact O-CB 3.43Å; E724-S728 PolarHBondContact O-N 2.68Å; E724-S728 VanDerWaalsContact O-N 3.07Å; E724-S728 PolarHBondContact O-OG 2.9Å
725	R	95.8	Very high	94.9	Very high	139 Å²	139	71.1 Å²	71.1	53%	0.525	36%	0.364	S	S	.	.	H	α-helix	trans	-65.8	-17.3	176.6	-159.3	-152.9	59.9	65.6	-11.8	114.2	S721 E722	S721-R725 WeakPolarHBondContact O-CB 3.39Å; S721-R725 PolarHBondContact O-N 2.69Å; E722-R725 VanDerWaalsContact CD-NE 3.28Å; E722-R725 CarbonylContact O-C 3.59Å; E722-R725 PolarHBondContact O-N 2.64Å; E722-R725 IonicContact OE1-CZ 3.25Å; E722-R725 VanDerWaalsContact OE1-CZ 3.29Å; E722-R725 IonicContact OE1-NE 3.29Å; E722-R725 PolarHBondContact OE1-NE 2.83Å; E722-R725 VanDerWaalsContact OE1-NE 3.14Å; E722-R725 IonicContact OE1-NH2 2.64Å; E722-R725 PolarHBondContact OE1-NH2 3.01Å; E722-R725 WeakPolarHBondContact OE2-CD 3.41Å; E722-R725 IonicContact OE2-CZ 2.68Å; E722-R725 IonicContact OE2-NE 3.75Å; E722-R725 PolarHBondContact OE2-NE 3.09Å; E722-R725 IonicContact OE2-NH2 3.48Å
726	M	93.5	Very high	94.8	Very high	59 Å²	59	76.5 Å²	76.5	29%	0.291	39%	0.392	S	S	.	.	H	α-helix	trans	-95.3	-13.3	172.6	-71.2	-172.5	-171.8	0	0	113.8	L684 L689 E722 G723 E724	L684-M726 VanDerWaalsContact O-CE 3.23Å; L684-M726 WeakPolarHBondContact O-CE 3.14Å; L689-M726 HydrophobicContact CD2-CE 4.44Å; L689-M726 HydrophobicContact CD2-SD 4.2Å; E722-M726 HydrophobicContact CG-CE 3.87Å; E722-M726 WeakPolarHBondContact O-CG 3.16Å; E722-M726 PolarHBondContact O-N 2.79Å; E722-M726 WeakPolarHBondContact OE1-CE 3.29Å; G723-M726 PolarHBondContact O-N 3.5Å; E724-M726 PolarHBondContact O-N 3.23Å
727	Q	88.9	Confident	94.6	Very high	164 Å²	164	80.2 Å²	80.2	77%	0.766	41%	0.41	S	S	*	.	H	α-helix	trans	-104.3	-12	-179.3	-69.9	176.6	38.9	0	0	113.5	G723 E724	G723-Q727 WeakPolarHBondContact O-CG 3.33Å; G723-Q727 PolarHBondContact O-N 2.99Å; E724-Q727 PolarHBondContact O-N 2.93Å; E724-Q727 VanDerWaalsContact O-N 3.08Å
728	S	83.3	Confident	94.4	Very high	148 Å²	148	75.2 Å²	75.2	100%	1.035	39%	0.394	S	S	*	.			trans	-94.6	0	179.7	-53.7	0	0	0	0	113	E724	E724-S728 WeakPolarHBondContact O-CB 3.43Å; E724-S728 PolarHBondContact O-N 2.68Å; E724-S728 VanDerWaalsContact O-N 3.07Å; E724-S728 PolarHBondContact O-OG 2.9Å

Retrieved 728 of 728 residues in 274.7 ms (Link to these results)

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