A0A077YZS0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YZS0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 733 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	38.7	Very low	33.3	Very low	229 Å²	229	147.1 Å²	147.1	100%	1.128	77%	0.772	S	S	*	*				0	133.4	0	-72.3	160.9	179.7	0	0	106.4
2	Q	31.3	Very low	33.3	Very low	164 Å²	164	152.6 Å²	152.6	77%	0.766	78%	0.775	S	S	*	*				49.4	126	81.9	-65.8	-176.6	-2.6	0	0	111.3
3	L	34.1	Very low	33.4	Very low	149 Å²	149	151.8 Å²	151.8	78%	0.78	77%	0.773	S	S	*	*			cis	-121.4	160.2	11.4	-75.1	97.2	0	0	0	110.5
4	R	31.8	Very low	33.6	Very low	215 Å²	215	148.6 Å²	148.6	81%	0.811	76%	0.764	S	S	*	*			cis	61.4	146.1	49.8	-79.4	-175.1	-174.8	177.6	0.5	113.2
5	S	34	Very low	33.6	Very low	80 Å²	80	147.7 Å²	147.7	56%	0.559	76%	0.762	S	S	*	*			cis	172.6	171.3	-21.4	53.8	0	0	0	0	109.2
6	L	33.2	Very low	33.7	Very low	154 Å²	154	148 Å²	148	81%	0.806	77%	0.765	S	S	*	*			trans	72.8	158.6	155	-62.3	169.7	0	0	0	117.9
7	V	31.3	Very low	33.8	Very low	119 Å²	119	145.6 Å²	145.6	72%	0.721	76%	0.758	S	S	*	*			cis	-176.1	-171.6	-30.5	73.6	0	0	0	0	108.9
8	S	32.9	Very low	33.8	Very low	89 Å²	89	145.1 Å²	145.1	62%	0.622	76%	0.756	S	S	*	*			trans	80.6	152.8	156.6	-87.6	0	0	0	0	118.5
9	R	32.6	Very low	33.8	Very low	231 Å²	231	145.1 Å²	145.1	87%	0.872	76%	0.757	S	S	*	*			cis	-173.9	135.3	-27.7	-126.6	178.1	170.6	165.7	-5.3	110.5
10	A	32.5	Very low	33.8	Very low	91 Å²	91	143 Å²	143	75%	0.752	76%	0.755	S	S	*	*			trans	-158.6	120.5	146.9	0	0	0	0	0	106.8
11	S	33.7	Very low	33.9	Very low	97 Å²	97	142 Å²	142	68%	0.678	76%	0.757	S	S	*	*				78.4	129.1	61.9	-67.4	0	0	0	0	111.8
12	R	33.9	Very low	33.8	Very low	213 Å²	213	136.2 Å²	136.2	80%	0.804	74%	0.736	S	S	*	*			cis	-171	162.4	5.7	-128.4	178.4	-167.7	-174	2.5	111.9
13	L	34.2	Very low	33.9	Very low	143 Å²	143	138.9 Å²	138.9	75%	0.749	74%	0.739	S	S	*	*			trans	69.5	149.7	160.3	-55.7	158.4	0	0	0	115.6
14	T	36.2	Very low	33.9	Very low	106 Å²	106	142.6 Å²	142.6	65%	0.65	74%	0.743	S	S	*	*			cis	-151.2	129.8	-5.5	10.1	0	0	0	0	111.2
15	D	34.4	Very low	33.9	Very low	136 Å²	136	134.3 Å²	134.3	73%	0.727	72%	0.718	S	S	*	*				64.8	94.3	123.5	-53.2	9.6	0	0	0	122
16	D	33.8	Very low	34	Very low	152 Å²	152	134.5 Å²	134.5	81%	0.813	71%	0.712	S	S	*	*				84.1	149.1	107.2	-113	-14.8	0	0	0	125.2
17	V	35.6	Very low	34.1	Very low	107 Å²	107	135.4 Å²	135.4	65%	0.648	71%	0.705	S	S	*	*			trans	76.9	90.8	148.3	172.4	0	0	0	0	120.9
18	N	34.7	Very low	34.3	Very low	136 Å²	136	133.9 Å²	133.9	73%	0.727	70%	0.7	S	S	*	*				89.6	136	120.1	-81.2	-19.3	0	0	0	125.9
19	L	33.8	Very low	34.4	Very low	145 Å²	145	135.1 Å²	135.1	76%	0.759	71%	0.709	S	S	*	*			trans	73.8	99.7	139.2	-66.8	165.7	0	0	0	122.2
20	S	34.3	Very low	34.6	Very low	104 Å²	104	128.6 Å²	128.6	73%	0.727	70%	0.698	S	S	*	*				71.1	127.1	125.4	-56.2	0	0	0	0	122.3
21	P	34.7	Very low	34.8	Very low	122 Å²	122	136.1 Å²	136.1	79%	0.792	71%	0.707	S	S	*	*			trans	-89.5	-174.4	165.4	42.2	-38.3	0	0	0	111.1
22	P	37.7	Very low	34.9	Very low	107 Å²	107	135 Å²	135	70%	0.695	71%	0.711	S	S	*	*			cis	-140.2	-166.3	5.3	43.9	-25	0	0	0	116.5
23	R	32	Very low	35.2	Very low	220 Å²	220	134.3 Å²	134.3	83%	0.83	71%	0.714	S	S	*	*			trans	90	139.5	148.5	-85.3	178.4	171.2	-170.5	-2.3	122.3
24	R	34.7	Very low	35.3	Very low	228 Å²	228	138.5 Å²	138.5	86%	0.86	72%	0.72	S	S	*	*			trans	73.6	158.2	159.1	-70.8	170.5	170.9	168.3	-5.8	117.8
25	S	32.8	Very low	35.2	Very low	41 Å²	41	142.4 Å²	142.4	29%	0.287	73%	0.727	S	S	.	*			cis	163.9	154.5	-30	175.5	0	0	0	0	108.5	E43 N44 L45	S25-E43 PolarHBondContact OG-O 2.74Å; S25-E43 VanDerWaalsContact OG-O 3.07Å; S25-N44 WeakPolarHBondContact OG-CB 3.03Å; S25-N44 PolarHBondContact OG-N 3.39Å; S25-L45 CarbonylContact C-O 3.6Å; S25-L45 VanDerWaalsContact CA-O 3.24Å; S25-L45 WeakPolarHBondContact CA-O 3.49Å
26	L	34	Very low	35.4	Very low	84 Å²	84	144.5 Å²	144.5	44%	0.44	73%	0.73	S	S	.	*			trans	91.6	149.1	171	-48.3	169.7	0	0	0	115.3	E43 N44 L45	L26-E43 HydrophobicContact CD2-CB 3.98Å; L26-E43 HydrophobicContact CD2-CG 4.35Å; L26-E43 WeakPolarHBondContact CD2-OE2 3.47Å; L26-N44 HydrophobicContact CD2-CB 4.26Å; L26-L45 PolarHBondContact N-O 3.38Å; L26-L45 VanDerWaalsContact N-O 3.16Å
27	R	36.4	Very low	35.3	Very low	172 Å²	172	143.1 Å²	143.1	65%	0.649	72%	0.723	S	S	*	*			cis	-161.4	146.8	3.4	-135.7	175.7	-167.8	-175.1	4.9	116.1
28	S	36.1	Very low	35.1	Very low	88 Å²	88	144.2 Å²	144.2	62%	0.615	72%	0.723	S	S	*	*			trans	45	133.1	141.2	63.9	0	0	0	0	125.8
29	S	34.4	Very low	35.1	Very low	115 Å²	115	144.7 Å²	144.7	80%	0.804	73%	0.725	S	S	*	*				162.2	145.3	125.1	-178.4	0	0	0	0	112.4
30	S	37	Very low	35.1	Very low	94 Å²	94	144.2 Å²	144.2	66%	0.657	72%	0.724	S	S	*	*			cis	-167.1	174.1	-28.7	61.5	0	0	0	0	111
31	R	36.6	Very low	35	Very low	249 Å²	249	144.3 Å²	144.3	94%	0.94	72%	0.72	S	S	*	*			trans	69.8	124.6	176.1	-61.7	178.9	168.5	-177.9	-2.8	117.4
32	G	34.9	Very low	35	Very low	73 Å²	73	145.8 Å²	145.8	75%	0.753	72%	0.716	S	S	*	*			cis	167.2	178.1	-12.2	0	0	0	0	0	116.6
33	K	40.5	Very low	34.9	Very low	198 Å²	198	145.5 Å²	145.5	86%	0.861	71%	0.705	S	S	*	*			trans	82.9	105.3	170.5	-60.4	178.5	179.5	173.1	0	119.3
34	R	36.4	Very low	34.9	Very low	232 Å²	232	138.2 Å²	138.2	88%	0.875	68%	0.683	S	S	*	*			trans	65.1	124.6	136.7	-65.2	175.6	175.9	-173.9	-2.4	117.2
35	K	35	Very low	34.7	Very low	187 Å²	187	132 Å²	132	81%	0.813	67%	0.666	S	S	*	*			cis	-159.1	158.7	18.4	-98.7	165.9	176.4	178.3	0	109.3
36	K	37.5	Very low	34.5	Very low	181 Å²	181	134 Å²	134	79%	0.787	69%	0.685	S	S	*	*			trans	28.6	133.7	147.3	-59	-168.4	176	-172.1	0	119.6
37	N	33.1	Very low	34.4	Very low	123 Å²	123	133.6 Å²	133.6	66%	0.658	69%	0.694	S	S	*	*			cis	-167.2	147.3	8	-115.5	11.2	0	0	0	112.6
38	I	31.1	Very low	34.1	Very low	129 Å²	129	131.5 Å²	131.5	66%	0.662	70%	0.701	S	S	*	*			trans	74.4	112.7	139	-66.1	172.4	0	0	0	119.4
39	L	33.7	Very low	34	Very low	147 Å²	147	134.7 Å²	134.7	77%	0.77	71%	0.711	S	S	*	*			trans	64.2	140.4	160.7	-55.3	165.9	0	0	0	116.7
40	N	33.2	Very low	33.8	Very low	135 Å²	135	134.3 Å²	134.3	72%	0.722	71%	0.708	S	S	*	*			cis	-167.3	160.7	-16	-119	16.4	0	0	0	107.5
41	V	34.1	Very low	33.4	Very low	106 Å²	106	135.2 Å²	135.2	64%	0.642	71%	0.711	S	S	*	*			cis	-155.4	171.6	-4.6	76.9	0	0	0	0	110
42	E	33.7	Very low	33	Very low	152 Å²	152	130.7 Å²	130.7	71%	0.71	71%	0.706	S	S	*	*			trans	5.6	120.9	161.9	-71.5	163.4	-165	0	0	121.3
43	E	34.9	Very low	32.8	Very low	102 Å²	102	131.6 Å²	131.6	48%	0.477	69%	0.693	S	S	.	*				82.8	134.1	63.5	-74.9	-164.2	125.9	0	0	113.5	S25 L26	S25-E43 PolarHBondContact OG-O 2.74Å; S25-E43 VanDerWaalsContact OG-O 3.07Å; L26-E43 HydrophobicContact CD2-CB 3.98Å; L26-E43 HydrophobicContact CD2-CG 4.35Å; L26-E43 WeakPolarHBondContact CD2-OE2 3.47Å
44	N	32.9	Very low	32.1	Very low	67 Å²	67	126 Å²	126	36%	0.358	68%	0.683	S	S	.	*			cis	-175.9	176.8	5.7	-112.8	-17.4	0	0	0	111.6	S25 L26	S25-N44 WeakPolarHBondContact OG-CB 3.03Å; S25-N44 PolarHBondContact OG-N 3.39Å; L26-N44 HydrophobicContact CD2-CB 4.26Å
45	L	29.4	Very low	31.6	Very low	96 Å²	96	120.4 Å²	120.4	50%	0.503	69%	0.687	S	S	.	*			trans	7.1	158.8	134.5	-56.3	160.3	0	0	0	119.2	S25 L26	S25-L45 CarbonylContact C-O 3.6Å; S25-L45 VanDerWaalsContact CA-O 3.24Å; S25-L45 WeakPolarHBondContact CA-O 3.49Å; L26-L45 PolarHBondContact N-O 3.38Å; L26-L45 VanDerWaalsContact N-O 3.16Å
46	A	30.2	Very low	31.2	Very low	84 Å²	84	117.5 Å²	117.5	69%	0.694	68%	0.68	S	S	*	*			cis	-163.5	-175.1	12.1	0	0	0	0	0	107.3
47	A	31	Very low	30.7	Very low	76 Å²	76	118.2 Å²	118.2	63%	0.628	68%	0.678	S	S	*	*			cis	167	164.7	-23.1	0	0	0	0	0	106.7
48	T	30.8	Very low	30.4	Very low	128 Å²	128	116.9 Å²	116.9	79%	0.785	68%	0.684	S	S	*	*			trans	54	115.6	158.6	50.5	0	0	0	0	121.9
49	N	33.5	Very low	30.2	Very low	155 Å²	155	116.6 Å²	116.6	83%	0.829	69%	0.688	S	S	*	*				-174.5	122.2	122.7	-87.8	-25.8	0	0	0	107.9
50	S	29.5	Very low	29.9	Very low	106 Å²	106	116.9 Å²	116.9	74%	0.741	69%	0.691	S	S	*	*				84.1	145.3	75.5	-106.7	0	0	0	0	113.6
51	P	30.1	Very low	29.9	Very low	113 Å²	113	117.2 Å²	117.2	73%	0.734	69%	0.688	S	S	*	*				-139	101.5	-100.5	35.4	-15.3	0	0	0	115
52	D	28.2	Very low	30	Very low	155 Å²	155	117.2 Å²	117.2	83%	0.829	69%	0.69	S	S	*	*			trans	-149.4	74.6	174.9	-121.9	-32.4	0	0	0	113.7
53	I	29.3	Very low	30.1	Very low	92 Å²	92	112.4 Å²	112.4	47%	0.472	67%	0.669	S	S	.	*			trans	-135.6	82.7	152	-56.8	-172	0	0	0	107.1	D56 R57	I53-D56 HydrophobicContact CG2-CB 3.84Å; I53-R57 HydrophobicContact CG2-CG 4.2Å
54	A	26.5	Very low	30.1	Very low	79 Å²	79	110.8 Å²	110.8	65%	0.653	66%	0.663	S	S	*	*			trans	-71.1	171	154.6	0	0	0	0	0	110.1	D56	A54-D56 VanDerWaalsContact C-N 3.25Å; A54-D56 PolarHBondContact O-N 2.95Å
55	A	26.1	Very low	30.4	Very low	116 Å²	116	113.4 Å²	113.4	96%	0.959	68%	0.677	S	S	*	*	S	Bend	trans	65	-21.4	170.2	0	0	0	0	0	119.8
56	D	27.4	Very low	30.9	Very low	126 Å²	126	113.2 Å²	113.2	67%	0.674	67%	0.674	S	S	*	*	S	Bend	trans	-112.1	9.4	-168.7	-130.6	5.6	0	0	0	115.8	I53 A54	I53-D56 HydrophobicContact CG2-CB 3.84Å; A54-D56 VanDerWaalsContact C-N 3.25Å; A54-D56 PolarHBondContact O-N 2.95Å
57	R	26.1	Very low	31.4	Very low	195 Å²	195	111.9 Å²	111.9	74%	0.736	66%	0.657	S	S	*	*			trans	-123.9	60.8	-166.2	-74.5	179.6	167.3	162.9	-4.1	115.2	I53	I53-R57 HydrophobicContact CG2-CG 4.2Å
58	A	25.8	Very low	32.1	Very low	96 Å²	96	114.5 Å²	114.5	79%	0.793	66%	0.66	S	S	*	*	S	Bend	trans	-146.5	8	164.4	0	0	0	0	0	114.4
59	V	27.3	Very low	33	Very low	122 Å²	122	112.1 Å²	112.1	74%	0.739	64%	0.642	S	S	*	*			trans	-89.8	-22.2	-170.1	-173	0	0	0	0	113	Q61	V59-Q61 PolarHBondContact O-N 3.27Å
60	D	28.6	Very low	33.7	Very low	154 Å²	154	109.9 Å²	109.9	82%	0.824	63%	0.629	S	S	*	*			trans	-90.6	44.8	-173.8	-72.3	-54.2	0	0	0	115	P62	D60-P62 WeakPolarHBondContact O-CD 3.49Å
61	Q	32.7	Very low	34.6	Very low	142 Å²	142	106.9 Å²	106.9	66%	0.664	61%	0.611	S	S	*	*			trans	-109.4	84.3	157.6	-86.9	-167.4	-28.8	0	0	110.4	V59 N63	V59-Q61 PolarHBondContact O-N 3.27Å; Q61-N63 PolarHBondContact O-N 3.42Å
62	P	35.6	Very low	35.6	Very low	105 Å²	105	110.8 Å²	110.8	68%	0.682	61%	0.611	S	S	*	*			trans	-71.1	77.4	160.3	32.4	-33.4	0	0	0	108	D60 D64	D60-P62 WeakPolarHBondContact O-CD 3.49Å; P62-D64 PolarHBondContact O-N 3.45Å
63	N	36.6	Very low	36.7	Very low	51 Å²	51	107 Å²	107	27%	0.273	59%	0.591	S	S	.	*			trans	-55.6	124.9	174.6	-68.4	-42.7	0	0	0	108	Q61 D65 H66	Q61-N63 PolarHBondContact O-N 3.42Å; N63-D65 HydrophobicContact CB-CB 4.34Å; N63-D65 PolarHBondContact O-N 3.18Å; N63-H66 HydrophobicContact CB-CB 3.89Å; N63-H66 PolarHBondContact ND2-CD2 3.11Å; N63-H66 VanDerWaalsContact ND2-CD2 3.28Å; N63-H66 PolarHBondContact ND2-NE2 2.9Å; N63-H66 VanDerWaalsContact ND2-NE2 3.13Å; N63-H66 WeakPolarHBondContact O-CA 3.36Å; N63-H66 WeakPolarHBondContact O-CB 3.38Å; N63-H66 PolarHBondContact O-N 3.11Å
64	D	35.3	Very low	37.6	Very low	68 Å²	68	104.4 Å²	104.4	36%	0.364	58%	0.578	S	S	.	*	H	α-helix	trans	-61.2	-30.5	169.2	-54.2	-95.5	0	0	0	110	P62 H66 V67 L68 S111 K115	P62-D64 PolarHBondContact O-N 3.45Å; D64-H66 VanDerWaalsContact C-N 3.26Å; D64-H66 PolarHBondContact O-N 3.34Å; D64-V67 PolarHBondContact O-N 3.35Å; D64-L68 PolarHBondContact O-N 3.11Å; D64-S111 WeakPolarHBondContact OD1-CB 3.48Å; D64-S111 PolarHBondContact OD1-OG 2.89Å; D64-K115 IonicContact OD1-NZ 2.69Å; D64-K115 PolarHBondContact OD1-NZ 3.29Å; D64-K115 VanDerWaalsContact OD2-CE 3.28Å; D64-K115 WeakPolarHBondContact OD2-CE 3.5Å; D64-K115 IonicContact OD2-NZ 2.88Å; D64-K115 PolarHBondContact OD2-NZ 3.21Å
65	D	38.9	Very low	38.8	Very low	122 Å²	122	105.6 Å²	105.6	65%	0.652	58%	0.576	S	S	*	*	H	α-helix	trans	-60.1	-31.5	168.1	-57.6	-45.8	0	0	0	112.3	N63 V67 L69	N63-D65 HydrophobicContact CB-CB 4.34Å; N63-D65 PolarHBondContact O-N 3.18Å; D65-V67 VanDerWaalsContact C-N 3.34Å; D65-V67 PolarHBondContact O-N 2.71Å; D65-L69 WeakPolarHBondContact O-CA 3.18Å; D65-L69 WeakPolarHBondContact O-CB 3.23Å; D65-L69 PolarHBondContact O-N 3.47Å
66	H	40.1	Very low	40	Very low	92 Å²	92	102.3 Å²	102.3	43%	0.426	55%	0.546	S	S	.	.	H	α-helix	trans	-67.7	-29.8	174.8	-84.1	-27.2	0	0	0	113	N63 D64 L70	N63-H66 HydrophobicContact CB-CB 3.89Å; N63-H66 PolarHBondContact ND2-CD2 3.11Å; N63-H66 VanDerWaalsContact ND2-CD2 3.28Å; N63-H66 PolarHBondContact ND2-NE2 2.9Å; N63-H66 VanDerWaalsContact ND2-NE2 3.13Å; N63-H66 WeakPolarHBondContact O-CA 3.36Å; N63-H66 WeakPolarHBondContact O-CB 3.38Å; N63-H66 PolarHBondContact O-N 3.11Å; D64-H66 VanDerWaalsContact C-N 3.26Å; D64-H66 PolarHBondContact O-N 3.34Å; H66-L70 VanDerWaalsContact O-CB 3.25Å; H66-L70 WeakPolarHBondContact O-CB 3.49Å; H66-L70 WeakPolarHBondContact O-CD1 3.1Å; H66-L70 PolarHBondContact O-N 2.69Å
67	V	40.4	Very low	40.9	Very low	57 Å²	57	99.2 Å²	99.2	35%	0.345	53%	0.53	S	S	.	.	H	α-helix	trans	-76.2	-42.3	178.1	-177	0	0	0	0	110.6	D64 D65 L69 L70 A71	D64-V67 PolarHBondContact O-N 3.35Å; D65-V67 VanDerWaalsContact C-N 3.34Å; D65-V67 PolarHBondContact O-N 2.71Å; V67-L69 VanDerWaalsContact C-N 3.35Å; V67-L70 PolarHBondContact O-N 2.85Å; V67-A71 WeakPolarHBondContact O-CB 3.44Å; V67-A71 PolarHBondContact O-N 3.14Å
68	L	46.2	Very low	41.8	Very low	130 Å²	130	91.6 Å²	91.6	68%	0.681	51%	0.505	S	S	*	.	H	α-helix	trans	-66.5	-36.2	172.1	-82.2	165.1	0	0	0	112.2	D64 R72	D64-L68 PolarHBondContact O-N 3.11Å; L68-R72 VanDerWaalsContact O-CB 3.23Å; L68-R72 WeakPolarHBondContact O-CB 3.25Å; L68-R72 PolarHBondContact O-N 3.43Å
69	L	49.6	Very low	42.7	Very low	79 Å²	79	90.5 Å²	90.5	41%	0.414	50%	0.495	S	S	.	.	H	α-helix	trans	-70.4	-36.9	173.3	-173.3	68.9	0	0	0	111.5	D65 V67 R72 N73	D65-L69 WeakPolarHBondContact O-CA 3.18Å; D65-L69 WeakPolarHBondContact O-CB 3.23Å; D65-L69 PolarHBondContact O-N 3.47Å; V67-L69 VanDerWaalsContact C-N 3.35Å; L69-R72 PolarHBondContact O-N 3.17Å; L69-N73 WeakPolarHBondContact CD1-OD1 3.34Å; L69-N73 WeakPolarHBondContact O-CA 3.37Å; L69-N73 WeakPolarHBondContact O-CB 3.33Å; L69-N73 PolarHBondContact O-N 2.81Å; L69-N73 PolarHBondContact O-OD1 2.79Å
70	L	47.3	Very low	43.6	Very low	107 Å²	107	88.8 Å²	88.8	56%	0.56	48%	0.482	S	S	*	.	H	α-helix	trans	-64.1	-45.5	172.4	-109.2	124.1	0	0	0	110.8	H66 V67 N73 L74	H66-L70 VanDerWaalsContact O-CB 3.25Å; H66-L70 WeakPolarHBondContact O-CB 3.49Å; H66-L70 WeakPolarHBondContact O-CD1 3.1Å; H66-L70 PolarHBondContact O-N 2.69Å; V67-L70 PolarHBondContact O-N 2.85Å; L70-N73 PolarHBondContact O-N 2.87Å; L70-L74 HydrophobicContact CD2-CD1 4.26Å; L70-L74 VanDerWaalsContact O-CB 3.26Å; L70-L74 WeakPolarHBondContact O-CB 3.37Å; L70-L74 VanDerWaalsContact O-CG 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.38Å; L70-L74 PolarHBondContact O-N 3.04Å
71	A	48.9	Very low	44.2	Very low	43 Å²	43	88.9 Å²	88.9	36%	0.355	48%	0.478	S	S	.	.	H	α-helix	trans	-61.5	-45.9	175.6	0	0	0	0	0	111.5	V67 L74 V75	V67-A71 WeakPolarHBondContact O-CB 3.44Å; V67-A71 PolarHBondContact O-N 3.14Å; A71-L74 PolarHBondContact O-N 2.77Å; A71-V75 WeakPolarHBondContact O-CB 3.38Å; A71-V75 VanDerWaalsContact O-CG2 3.3Å; A71-V75 WeakPolarHBondContact O-CG2 3.46Å; A71-V75 PolarHBondContact O-N 2.97Å
72	R	51.2	Low	44.6	Very low	195 Å²	195	88.6 Å²	88.6	74%	0.736	48%	0.476	S	S	*	.	H	α-helix	trans	-65.2	-39.2	176.9	-172.6	174	-179.1	169.8	0	112.4	L68 L69 S76	L68-R72 VanDerWaalsContact O-CB 3.23Å; L68-R72 WeakPolarHBondContact O-CB 3.25Å; L68-R72 PolarHBondContact O-N 3.43Å; L69-R72 PolarHBondContact O-N 3.17Å; R72-S76 VanDerWaalsContact O-CB 3.26Å; R72-S76 WeakPolarHBondContact O-CB 3.39Å; R72-S76 PolarHBondContact O-N 3.23Å
73	N	51.2	Low	44.7	Very low	77 Å²	77	84.4 Å²	84.4	41%	0.412	45%	0.451	S	S	.	.	H	α-helix	trans	-72.2	-36.8	177.4	-71.3	2	0	0	0	111.6	L69 L70 S76 L77	L69-N73 WeakPolarHBondContact CD1-OD1 3.34Å; L69-N73 WeakPolarHBondContact O-CA 3.37Å; L69-N73 WeakPolarHBondContact O-CB 3.33Å; L69-N73 PolarHBondContact O-N 2.81Å; L69-N73 PolarHBondContact O-OD1 2.79Å; L70-N73 PolarHBondContact O-N 2.87Å; N73-S76 CarbonylContact O-C 3.48Å; N73-S76 PolarHBondContact O-N 3.12Å; N73-L77 VanDerWaalsContact O-CB 3.27Å; N73-L77 WeakPolarHBondContact O-CB 3Å; N73-L77 WeakPolarHBondContact O-CD1 3.28Å; N73-L77 WeakPolarHBondContact O-CG 3.38Å; N73-L77 PolarHBondContact O-N 2.9Å
74	L	48.7	Very low	44.7	Very low	37 Å²	37	86.2 Å²	86.2	19%	0.194	47%	0.465	C	S	.	.	H	α-helix	trans	-66.5	-46.3	173.8	-80	164.6	0	0	0	111	L70 A71 S76 L77 V78 L86 I98	L70-L74 HydrophobicContact CD2-CD1 4.26Å; L70-L74 VanDerWaalsContact O-CB 3.26Å; L70-L74 WeakPolarHBondContact O-CB 3.37Å; L70-L74 VanDerWaalsContact O-CG 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.38Å; L70-L74 PolarHBondContact O-N 3.04Å; A71-L74 PolarHBondContact O-N 2.77Å; L74-S76 VanDerWaalsContact C-N 3.27Å; L74-S76 PolarHBondContact O-N 2.94Å; L74-L77 PolarHBondContact O-N 2.88Å; L74-V78 WeakPolarHBondContact O-CB 3.49Å; L74-V78 WeakPolarHBondContact O-CG2 3.44Å; L74-V78 PolarHBondContact O-N 2.88Å; L74-L86 HydrophobicContact CD2-CD1 3.67Å; L74-I98 HydrophobicContact CD1-CD1 3.96Å
75	V	50.8	Low	44.9	Very low	103 Å²	103	88.8 Å²	88.8	62%	0.624	48%	0.483	S	S	*	.	H	α-helix	trans	-59.3	-39.7	172.1	170.7	0	0	0	0	110.8	A71 A79	A71-V75 WeakPolarHBondContact O-CB 3.38Å; A71-V75 VanDerWaalsContact O-CG2 3.3Å; A71-V75 WeakPolarHBondContact O-CG2 3.46Å; A71-V75 PolarHBondContact O-N 2.97Å; V75-A79 WeakPolarHBondContact O-CB 3.36Å; V75-A79 PolarHBondContact O-N 3.47Å
76	S	51.4	Low	44.7	Very low	47 Å²	47	85.2 Å²	85.2	33%	0.329	46%	0.464	S	S	.	.	H	α-helix	trans	-70.6	-36.8	175.6	-166.1	0	0	0	0	113.6	R72 N73 L74 V78 N80	R72-S76 VanDerWaalsContact O-CB 3.26Å; R72-S76 WeakPolarHBondContact O-CB 3.39Å; R72-S76 PolarHBondContact O-N 3.23Å; N73-S76 CarbonylContact O-C 3.48Å; N73-S76 PolarHBondContact O-N 3.12Å; L74-S76 VanDerWaalsContact C-N 3.27Å; L74-S76 PolarHBondContact O-N 2.94Å; S76-V78 VanDerWaalsContact C-N 3.32Å; S76-N80 WeakPolarHBondContact O-CB 3.08Å; S76-N80 PolarHBondContact O-N 2.74Å; S76-N80 PolarHBondContact O-ND2 2.82Å; S76-N80 PolarHBondContact O-OD1 3.44Å; S76-N80 PolarHBondContact OG-ND2 3.35Å; S76-N80 VanDerWaalsContact OG-ND2 3.08Å
77	L	46.4	Very low	44.7	Very low	61 Å²	61	84 Å²	84	32%	0.319	46%	0.463	S	S	.	.	H	α-helix	trans	-66.9	-36	177.4	-81.9	162.5	0	0	0	111.4	N73 L74 Q81 Q82 A83	N73-L77 VanDerWaalsContact O-CB 3.27Å; N73-L77 WeakPolarHBondContact O-CB 3Å; N73-L77 WeakPolarHBondContact O-CD1 3.28Å; N73-L77 WeakPolarHBondContact O-CG 3.38Å; N73-L77 PolarHBondContact O-N 2.9Å; L74-L77 PolarHBondContact O-N 2.88Å; L77-Q81 PolarHBondContact O-N 2.64Å; L77-Q82 HydrophobicContact CD2-CB 3.85Å; L77-Q82 PolarHBondContact O-N 2.87Å; L77-A83 HydrophobicContact CB-CB 4.11Å; L77-A83 PolarHBondContact O-N 3.39Å; L77-A83 VanDerWaalsContact O-N 3.16Å
78	V	44.4	Very low	44.8	Very low	36 Å²	36	85.6 Å²	85.6	22%	0.218	48%	0.477	C	S	.	.	H	α-helix	trans	-73.7	-48.8	173.7	171.2	0	0	0	0	110.8	L74 S76 N80 Q81 L86 T87 I94	L74-V78 WeakPolarHBondContact O-CB 3.49Å; L74-V78 WeakPolarHBondContact O-CG2 3.44Å; L74-V78 PolarHBondContact O-N 2.88Å; S76-V78 VanDerWaalsContact C-N 3.32Å; V78-N80 PolarHBondContact O-N 2.68Å; V78-Q81 PolarHBondContact O-N 2.73Å; V78-L86 HydrophobicContact CG2-CB 3.62Å; V78-T87 HydrophobicContact CG1-CG2 4.17Å; V78-T87 WeakPolarHBondContact O-CG2 3.47Å; V78-I94 HydrophobicContact CG2-CD1 3.86Å
79	A	45	Very low	44.5	Very low	72 Å²	72	82.3 Å²	82.3	60%	0.595	46%	0.459	S	S	*	.	H	α-helix	trans	-63.8	-37.5	179.6	0	0	0	0	0	113.1	V75 Q81	V75-A79 WeakPolarHBondContact O-CB 3.36Å; V75-A79 PolarHBondContact O-N 3.47Å; A79-Q81 VanDerWaalsContact C-N 3.25Å; A79-Q81 PolarHBondContact O-N 3.27Å
80	N	46.8	Very low	44.2	Very low	86 Å²	86	82.2 Å²	82.2	46%	0.46	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	5.4	178.9	-60	-12.3	0	0	0	113.1	S76 V78 Q82	S76-N80 WeakPolarHBondContact O-CB 3.08Å; S76-N80 PolarHBondContact O-N 2.74Å; S76-N80 PolarHBondContact O-ND2 2.82Å; S76-N80 PolarHBondContact O-OD1 3.44Å; S76-N80 PolarHBondContact OG-ND2 3.35Å; S76-N80 VanDerWaalsContact OG-ND2 3.08Å; V78-N80 PolarHBondContact O-N 2.68Å; N80-Q82 HydrophobicContact CB-CG 3.96Å; N80-Q82 PolarHBondContact O-N 3.31Å
81	Q	41.2	Very low	43.7	Very low	156 Å²	156	80.7 Å²	80.7	73%	0.729	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	11	-175.4	-52.2	-179.2	8.3	0	0	115.3	L77 V78 A79 A83	L77-Q81 PolarHBondContact O-N 2.64Å; V78-Q81 PolarHBondContact O-N 2.73Å; A79-Q81 VanDerWaalsContact C-N 3.25Å; A79-Q81 PolarHBondContact O-N 3.27Å; Q81-A83 PolarHBondContact O-N 3.03Å
82	Q	40.1	Very low	43.2	Very low	136 Å²	136	81.4 Å²	81.4	64%	0.636	47%	0.471	S	S	*	.	S	Bend	trans	-71.7	-16	-176.7	-73.3	174.6	-2.1	0	0	113.2	L77 N80	L77-Q82 HydrophobicContact CD2-CB 3.85Å; L77-Q82 PolarHBondContact O-N 2.87Å; N80-Q82 HydrophobicContact CB-CG 3.96Å; N80-Q82 PolarHBondContact O-N 3.31Å
83	A	37.6	Very low	42.9	Very low	18 Å²	18	76.1 Å²	76.1	15%	0.149	46%	0.455	C	S	.	.			trans	-124.4	80.8	169.9	0	0	0	0	0	110.5	L77 Q81 V85 L86 T87	L77-A83 HydrophobicContact CB-CB 4.11Å; L77-A83 PolarHBondContact O-N 3.39Å; L77-A83 VanDerWaalsContact O-N 3.16Å; Q81-A83 PolarHBondContact O-N 3.03Å; A83-V85 PolarHBondContact O-N 3.1Å; A83-V85 VanDerWaalsContact O-N 3.13Å; A83-L86 HydrophobicContact CB-CB 4Å; A83-L86 HydrophobicContact CB-CD1 3.7Å; A83-L86 HydrophobicContact CB-CG 3.85Å; A83-L86 WeakPolarHBondContact O-CA 3.42Å; A83-L86 WeakPolarHBondContact O-CB 3.42Å; A83-L86 PolarHBondContact O-N 3.2Å; A83-T87 PolarHBondContact O-N 3.35Å
84	P	36.7	Very low	42.6	Very low	89 Å²	89	73.7 Å²	73.7	58%	0.578	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-17.2	-178.5	25.8	-34.5	0	0	0	113.7	L86 T87	P84-L86 VanDerWaalsContact C-N 3.27Å; P84-T87 WeakPolarHBondContact CA-OG1 3.24Å; P84-T87 PolarHBondContact O-OG1 2.94Å
85	V	39.5	Very low	42.2	Very low	121 Å²	121	76.6 Å²	76.6	73%	0.733	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-17.9	171.4	-171.1	0	0	0	0	112.1	A83 S88	A83-V85 PolarHBondContact O-N 3.1Å; A83-V85 VanDerWaalsContact O-N 3.13Å; V85-S88 PolarHBondContact O-OG 3.46Å
86	L	35.1	Very low	41.8	Very low	47 Å²	47	76.9 Å²	76.9	25%	0.246	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-19.5	176.8	-58.6	-179.1	0	0	0	112.7	L74 V78 A83 P84 S88 L89	L74-L86 HydrophobicContact CD2-CD1 3.67Å; V78-L86 HydrophobicContact CG2-CB 3.62Å; A83-L86 HydrophobicContact CB-CB 4Å; A83-L86 HydrophobicContact CB-CD1 3.7Å; A83-L86 HydrophobicContact CB-CG 3.85Å; A83-L86 WeakPolarHBondContact O-CA 3.42Å; A83-L86 WeakPolarHBondContact O-CB 3.42Å; A83-L86 PolarHBondContact O-N 3.2Å; P84-L86 VanDerWaalsContact C-N 3.27Å; L86-S88 PolarHBondContact O-N 3.33Å; L86-L89 HydrophobicContact CD2-CD1 3.85Å; L86-L89 WeakPolarHBondContact O-CB 3.5Å; L86-L89 PolarHBondContact O-N 3.48Å
87	T	40.3	Very low	41.3	Very low	67 Å²	67	77.9 Å²	77.9	41%	0.411	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-17.3	175.1	49.4	0	0	0	0	113.5	V78 A83 P84 L89	V78-T87 HydrophobicContact CG1-CG2 4.17Å; V78-T87 WeakPolarHBondContact O-CG2 3.47Å; A83-T87 PolarHBondContact O-N 3.35Å; P84-T87 WeakPolarHBondContact CA-OG1 3.24Å; P84-T87 PolarHBondContact O-OG1 2.94Å; T87-L89 VanDerWaalsContact C-N 3.31Å
88	S	43.1	Very low	41.1	Very low	90 Å²	90	77.5 Å²	77.5	63%	0.629	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-6.6	169	54	0	0	0	0	113.9	V85 L86	V85-S88 PolarHBondContact O-OG 3.46Å; L86-S88 PolarHBondContact O-N 3.33Å
89	L	39	Very low	41	Very low	61 Å²	61	80.3 Å²	80.3	32%	0.319	47%	0.473	S	S	.	.	S	Bend	trans	-98.9	124.9	175.6	-59.9	176.6	0	0	0	109.4	L86 T87 Q93 I94	L86-L89 HydrophobicContact CD2-CD1 3.85Å; L86-L89 WeakPolarHBondContact O-CB 3.5Å; L86-L89 PolarHBondContact O-N 3.48Å; T87-L89 VanDerWaalsContact C-N 3.31Å; L89-Q93 HydrophobicContact CB-CB 4.26Å; L89-Q93 HydrophobicContact CD2-CB 4.3Å; L89-I94 HydrophobicContact CB-CD1 4.22Å; L89-I94 HydrophobicContact CB-CG1 3.69Å; L89-I94 HydrophobicContact CD1-CG1 4.37Å
90	T	43	Very low	40.7	Very low	77 Å²	77	84.5 Å²	84.5	47%	0.472	48%	0.48	S	S	.	.			trans	-60.3	155.1	170.2	60	0	0	0	0	110.6	A92 Q93 I94	T90-A92 PolarHBondContact O-N 3.43Å; T90-A92 VanDerWaalsContact O-N 3.07Å; T90-Q93 PolarHBondContact O-N 3.08Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.15Å; T90-Q93 PolarHBondContact OG1-N 3.26Å; T90-Q93 VanDerWaalsContact OG1-N 3.1Å; T90-Q93 PolarHBondContact OG1-OE1 2.85Å; T90-I94 WeakPolarHBondContact O-CG1 3.28Å; T90-I94 PolarHBondContact O-N 2.97Å
91	A	38.3	Very low	40.3	Very low	75 Å²	75	83.5 Å²	83.5	62%	0.62	48%	0.475	S	S	*	.	H	α-helix	trans	-55.5	-28	172.2	0	0	0	0	0	112.5	L95	A91-L95 WeakPolarHBondContact O-CB 3.39Å; A91-L95 WeakPolarHBondContact O-CD1 3.31Å; A91-L95 VanDerWaalsContact O-CG 3.31Å; A91-L95 WeakPolarHBondContact O-CG 3.42Å; A91-L95 PolarHBondContact O-N 3.49Å
92	A	36.6	Very low	40.3	Very low	58 Å²	58	85.6 Å²	85.6	48%	0.479	48%	0.476	S	S	.	.	H	α-helix	trans	-66.2	-48.8	171	0	0	0	0	0	112.2	T90 I94 L95 E96	T90-A92 PolarHBondContact O-N 3.43Å; T90-A92 VanDerWaalsContact O-N 3.07Å; A92-I94 PolarHBondContact O-N 3.01Å; A92-L95 CarbonylContact O-C 3.59Å; A92-L95 PolarHBondContact O-N 3.19Å; A92-E96 WeakPolarHBondContact O-CB 3.11Å; A92-E96 WeakPolarHBondContact O-CG 3.39Å; A92-E96 PolarHBondContact O-N 3.4Å
93	Q	45.3	Very low	40.5	Very low	85 Å²	85	82.5 Å²	82.5	40%	0.397	47%	0.467	S	S	.	.	H	α-helix	trans	-66.4	-34.3	177.2	-73.3	158.6	-53.2	0	0	113	L89 T90 E96 A97	L89-Q93 HydrophobicContact CB-CB 4.26Å; L89-Q93 HydrophobicContact CD2-CB 4.3Å; T90-Q93 PolarHBondContact O-N 3.08Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.15Å; T90-Q93 PolarHBondContact OG1-N 3.26Å; T90-Q93 VanDerWaalsContact OG1-N 3.1Å; T90-Q93 PolarHBondContact OG1-OE1 2.85Å; Q93-E96 PolarHBondContact O-N 3.16Å; Q93-A97 WeakPolarHBondContact O-CB 3.33Å; Q93-A97 PolarHBondContact O-N 2.85Å
94	I	44.7	Very low	40.7	Very low	25 Å²	25	83.9 Å²	83.9	13%	0.128	47%	0.471	C	S	.	.	H	α-helix	trans	-66	-42.4	173.1	-63.1	168.4	0	0	0	110	V78 L89 T90 A92 I98	V78-I94 HydrophobicContact CG2-CD1 3.86Å; L89-I94 HydrophobicContact CB-CD1 4.22Å; L89-I94 HydrophobicContact CB-CG1 3.69Å; L89-I94 HydrophobicContact CD1-CG1 4.37Å; T90-I94 WeakPolarHBondContact O-CG1 3.28Å; T90-I94 PolarHBondContact O-N 2.97Å; A92-I94 PolarHBondContact O-N 3.01Å; I94-I98 HydrophobicContact CG2-CD1 4.07Å; I94-I98 WeakPolarHBondContact O-CD1 3.46Å; I94-I98 VanDerWaalsContact O-CG1 3.24Å; I94-I98 WeakPolarHBondContact O-CG1 3.48Å; I94-I98 PolarHBondContact O-N 3.22Å; I94-I98 VanDerWaalsContact O-N 3.16Å
95	L	42	Very low	40.8	Very low	99 Å²	99	82.2 Å²	82.2	52%	0.518	46%	0.457	S	S	.	.	H	α-helix	trans	-66.5	-41.1	173.3	-79.2	166	0	0	0	112.1	A91 A92 I98 I99	A91-L95 WeakPolarHBondContact O-CB 3.39Å; A91-L95 WeakPolarHBondContact O-CD1 3.31Å; A91-L95 VanDerWaalsContact O-CG 3.31Å; A91-L95 WeakPolarHBondContact O-CG 3.42Å; A91-L95 PolarHBondContact O-N 3.49Å; A92-L95 CarbonylContact O-C 3.59Å; A92-L95 PolarHBondContact O-N 3.19Å; L95-I98 CarbonylContact O-C 3.55Å; L95-I98 PolarHBondContact O-N 3.13Å; L95-I98 VanDerWaalsContact O-N 3.13Å; L95-I99 HydrophobicContact CB-CD1 4.23Å; L95-I99 WeakPolarHBondContact O-CB 3.44Å; L95-I99 WeakPolarHBondContact O-CD1 3.24Å; L95-I99 WeakPolarHBondContact O-CG1 3.29Å; L95-I99 PolarHBondContact O-N 2.92Å
96	E	42.1	Very low	41.1	Very low	109 Å²	109	81 Å²	81	51%	0.509	45%	0.446	S	S	.	.	H	α-helix	trans	-62.7	-43.8	176.2	-75.6	173.5	152.6	0	0	110.8	A92 Q93 I98 I99 E100	A92-E96 WeakPolarHBondContact O-CB 3.11Å; A92-E96 WeakPolarHBondContact O-CG 3.39Å; A92-E96 PolarHBondContact O-N 3.4Å; Q93-E96 PolarHBondContact O-N 3.16Å; E96-I98 PolarHBondContact O-N 3.28Å; E96-I99 CarbonylContact O-C 3.56Å; E96-I99 PolarHBondContact O-N 2.85Å; E96-E100 WeakPolarHBondContact O-CB 3.16Å; E96-E100 WeakPolarHBondContact O-CG 3.4Å; E96-E100 PolarHBondContact O-N 3.38Å
97	A	40.3	Very low	41.6	Very low	68 Å²	68	84.7 Å²	84.7	56%	0.562	46%	0.46	S	S	*	.	H	α-helix	trans	-60.5	-29.8	172.6	0	0	0	0	0	113.9	Q93	Q93-A97 WeakPolarHBondContact O-CB 3.33Å; Q93-A97 PolarHBondContact O-N 2.85Å
98	I	42.1	Very low	41.6	Very low	52 Å²	52	84.8 Å²	84.8	27%	0.267	46%	0.458	S	S	.	.	H	α-helix	trans	-81.2	-26.2	174.4	-67.5	165.5	0	0	0	112	L74 I94 L95 E96 L104	L74-I98 HydrophobicContact CD1-CD1 3.96Å; I94-I98 HydrophobicContact CG2-CD1 4.07Å; I94-I98 WeakPolarHBondContact O-CD1 3.46Å; I94-I98 VanDerWaalsContact O-CG1 3.24Å; I94-I98 WeakPolarHBondContact O-CG1 3.48Å; I94-I98 PolarHBondContact O-N 3.22Å; I94-I98 VanDerWaalsContact O-N 3.16Å; L95-I98 CarbonylContact O-C 3.55Å; L95-I98 PolarHBondContact O-N 3.13Å; L95-I98 VanDerWaalsContact O-N 3.13Å; E96-I98 PolarHBondContact O-N 3.28Å; I98-L104 HydrophobicContact CG2-CD2 3.75Å
99	I	42.2	Very low	41.5	Very low	96 Å²	96	88.5 Å²	88.5	49%	0.492	46%	0.458	S	S	.	.	H	α-helix	trans	-94.4	-25.9	-174.9	-72.4	166.7	0	0	0	112.2	L95 E96 D101 I105	L95-I99 HydrophobicContact CB-CD1 4.23Å; L95-I99 WeakPolarHBondContact O-CB 3.44Å; L95-I99 WeakPolarHBondContact O-CD1 3.24Å; L95-I99 WeakPolarHBondContact O-CG1 3.29Å; L95-I99 PolarHBondContact O-N 2.92Å; E96-I99 CarbonylContact O-C 3.56Å; E96-I99 PolarHBondContact O-N 2.85Å; I99-D101 VanDerWaalsContact C-N 3.32Å; I99-I105 HydrophobicContact CG2-CD1 4.13Å; I99-I105 WeakPolarHBondContact O-CD1 3.46Å
100	E	38	Very low	42	Very low	159 Å²	159	90.4 Å²	90.4	74%	0.743	47%	0.465	S	S	*	.	S	Bend	trans	-72.5	-23.5	175.5	-74.2	-166.9	149.4	0	0	112.8	E96 R102	E96-E100 WeakPolarHBondContact O-CB 3.16Å; E96-E100 WeakPolarHBondContact O-CG 3.4Å; E96-E100 PolarHBondContact O-N 3.38Å; E100-R102 VanDerWaalsContact C-N 3.29Å; E100-R102 PolarHBondContact O-N 2.81Å
101	D	39.3	Very low	41.9	Very low	65 Å²	65	87.9 Å²	87.9	35%	0.348	45%	0.451	S	S	.	.			trans	-69.8	87.5	165.6	-175.2	3.2	0	0	0	110.7	I99 T103 L104 I105	I99-D101 VanDerWaalsContact C-N 3.32Å; D101-T103 PolarHBondContact O-N 3.4Å; D101-T103 VanDerWaalsContact O-N 3.12Å; D101-T103 VanDerWaalsContact OD1-CA 3.31Å; D101-T103 WeakPolarHBondContact OD1-CA 3.44Å; D101-T103 WeakPolarHBondContact OD1-CB 3.32Å; D101-T103 WeakPolarHBondContact OD1-CG2 3.35Å; D101-T103 PolarHBondContact OD1-N 3.03Å; D101-T103 PolarHBondContact OD1-OG1 3.45Å; D101-T103 PolarHBondContact OD2-OG1 3.37Å; D101-L104 HydrophobicContact CB-CB 4.08Å; D101-L104 VanDerWaalsContact O-CB 3.31Å; D101-L104 WeakPolarHBondContact O-CB 3.09Å; D101-L104 PolarHBondContact O-N 2.66Å; D101-L104 PolarHBondContact OD1-N 2.79Å; D101-I105 PolarHBondContact O-N 2.88Å
102	R	40.8	Very low	42	Very low	200 Å²	200	88.4 Å²	88.4	76%	0.755	44%	0.442	S	S	*	.	H	α-helix	trans	-51	-32.1	170.6	-72	-174	175.5	-173.7	0.4	112.9	E100 L104 I105 D106	E100-R102 VanDerWaalsContact C-N 3.29Å; E100-R102 PolarHBondContact O-N 2.81Å; R102-L104 VanDerWaalsContact C-N 3.29Å; R102-L104 PolarHBondContact O-N 3.19Å; R102-I105 PolarHBondContact O-N 3.43Å; R102-D106 PolarHBondContact O-N 3.02Å
103	T	43.4	Very low	42.2	Very low	72 Å²	72	88.3 Å²	88.3	44%	0.442	43%	0.434	S	S	.	.	H	α-helix	trans	-68.4	-32	179.1	88.2	0	0	0	0	111.4	D101 K107	D101-T103 PolarHBondContact O-N 3.4Å; D101-T103 VanDerWaalsContact O-N 3.12Å; D101-T103 VanDerWaalsContact OD1-CA 3.31Å; D101-T103 WeakPolarHBondContact OD1-CA 3.44Å; D101-T103 WeakPolarHBondContact OD1-CB 3.32Å; D101-T103 WeakPolarHBondContact OD1-CG2 3.35Å; D101-T103 PolarHBondContact OD1-N 3.03Å; D101-T103 PolarHBondContact OD1-OG1 3.45Å; D101-T103 PolarHBondContact OD2-OG1 3.37Å; T103-K107 WeakPolarHBondContact O-CB 3.2Å; T103-K107 WeakPolarHBondContact O-CD 3.27Å; T103-K107 WeakPolarHBondContact O-CG 3.26Å; T103-K107 PolarHBondContact O-N 3.34Å; T103-K107 PolarHBondContact OG1-NZ 2.87Å; T103-K107 VanDerWaalsContact OG1-NZ 3.09Å
104	L	43.3	Very low	42.1	Very low	47 Å²	47	91.1 Å²	91.1	25%	0.246	44%	0.441	C	S	.	.	H	α-helix	trans	-68.5	-45.6	173.1	-155.4	81.1	0	0	0	110.7	I98 D101 R102 D106 K107 I108	I98-L104 HydrophobicContact CG2-CD2 3.75Å; D101-L104 HydrophobicContact CB-CB 4.08Å; D101-L104 VanDerWaalsContact O-CB 3.31Å; D101-L104 WeakPolarHBondContact O-CB 3.09Å; D101-L104 PolarHBondContact O-N 2.66Å; D101-L104 PolarHBondContact OD1-N 2.79Å; R102-L104 VanDerWaalsContact C-N 3.29Å; R102-L104 PolarHBondContact O-N 3.19Å; L104-D106 PolarHBondContact O-N 3.24Å; L104-K107 PolarHBondContact O-N 2.96Å; L104-I108 HydrophobicContact CD2-CD1 4.42Å; L104-I108 HydrophobicContact CG-CD1 4.24Å; L104-I108 WeakPolarHBondContact O-CD1 3.37Å; L104-I108 VanDerWaalsContact O-CG1 3.26Å; L104-I108 WeakPolarHBondContact O-CG1 3.48Å; L104-I108 PolarHBondContact O-N 3.38Å
105	I	37.9	Very low	41.9	Very low	54 Å²	54	95 Å²	95	28%	0.277	46%	0.456	S	S	.	.	H	α-helix	trans	-60.5	-44.9	177	-68.5	-178.1	0	0	0	111.6	I99 D101 R102 I108 R109	I99-I105 HydrophobicContact CG2-CD1 4.13Å; I99-I105 WeakPolarHBondContact O-CD1 3.46Å; D101-I105 PolarHBondContact O-N 2.88Å; R102-I105 PolarHBondContact O-N 3.43Å; I105-I108 PolarHBondContact O-N 3.33Å; I105-R109 WeakPolarHBondContact O-CB 3.36Å; I105-R109 WeakPolarHBondContact O-CG 3.17Å; I105-R109 PolarHBondContact O-N 2.99Å
106	D	45.9	Very low	41.9	Very low	94 Å²	94	95.2 Å²	95.2	50%	0.503	46%	0.455	S	S	.	.	H	α-helix	trans	-69.5	-35.7	179.7	-73.4	-28.1	0	0	0	111.9	R102 L104 R109 E110	R102-D106 PolarHBondContact O-N 3.02Å; L104-D106 PolarHBondContact O-N 3.24Å; D106-R109 PolarHBondContact O-N 3.09Å; D106-E110 WeakPolarHBondContact O-CB 3.45Å; D106-E110 PolarHBondContact O-N 2.73Å
107	K	46.2	Very low	41.8	Very low	125 Å²	125	96.2 Å²	96.2	54%	0.543	46%	0.457	S	S	.	.	H	α-helix	trans	-62	-43.7	170	-73.3	161.3	-169.2	154.2	0	112.2	T103 L104 E110 S111	T103-K107 WeakPolarHBondContact O-CB 3.2Å; T103-K107 WeakPolarHBondContact O-CD 3.27Å; T103-K107 WeakPolarHBondContact O-CG 3.26Å; T103-K107 PolarHBondContact O-N 3.34Å; T103-K107 PolarHBondContact OG1-NZ 2.87Å; T103-K107 VanDerWaalsContact OG1-NZ 3.09Å; L104-K107 PolarHBondContact O-N 2.96Å; K107-E110 PolarHBondContact O-N 3.26Å; K107-S111 PolarHBondContact O-N 3.38Å
108	I	40.2	Very low	41.6	Very low	70 Å²	70	96.9 Å²	96.9	36%	0.359	46%	0.457	S	S	.	.	H	α-helix	trans	-62.4	-45.7	176.8	-71.1	163.1	0	0	0	110.4	L104 I105 E110 S111 I112	L104-I108 HydrophobicContact CD2-CD1 4.42Å; L104-I108 HydrophobicContact CG-CD1 4.24Å; L104-I108 WeakPolarHBondContact O-CD1 3.37Å; L104-I108 VanDerWaalsContact O-CG1 3.26Å; L104-I108 WeakPolarHBondContact O-CG1 3.48Å; L104-I108 PolarHBondContact O-N 3.38Å; I105-I108 PolarHBondContact O-N 3.33Å; I108-E110 VanDerWaalsContact C-N 3.34Å; I108-E110 PolarHBondContact O-N 2.86Å; I108-S111 PolarHBondContact O-N 3.17Å; I108-I112 HydrophobicContact CG2-CD1 3.99Å; I108-I112 WeakPolarHBondContact O-CG1 3.23Å; I108-I112 PolarHBondContact O-N 3.33Å
109	R	40.7	Very low	41.3	Very low	167 Å²	167	99.4 Å²	99.4	63%	0.63	48%	0.475	S	S	*	.	H	α-helix	trans	-59.7	-43.2	174.7	-75.3	171.3	166.5	-171.7	-7.4	111.7	I105 D106 I112 D113	I105-R109 WeakPolarHBondContact O-CB 3.36Å; I105-R109 WeakPolarHBondContact O-CG 3.17Å; I105-R109 PolarHBondContact O-N 2.99Å; D106-R109 PolarHBondContact O-N 3.09Å; R109-I112 PolarHBondContact O-N 3.34Å; R109-D113 WeakPolarHBondContact O-CB 3.48Å; R109-D113 PolarHBondContact O-N 3.24Å
110	E	48.9	Very low	41	Very low	101 Å²	101	103 Å²	103	47%	0.472	49%	0.487	S	S	.	.	H	α-helix	trans	-67	-37.9	177.8	-141.9	-153.7	150.7	0	0	112.4	D106 K107 I108 D113 R114	D106-E110 WeakPolarHBondContact O-CB 3.45Å; D106-E110 PolarHBondContact O-N 2.73Å; K107-E110 PolarHBondContact O-N 3.26Å; I108-E110 VanDerWaalsContact C-N 3.34Å; I108-E110 PolarHBondContact O-N 2.86Å; E110-D113 PolarHBondContact O-N 3Å; E110-R114 VanDerWaalsContact O-CB 3.26Å; E110-R114 WeakPolarHBondContact O-CB 3.48Å; E110-R114 WeakPolarHBondContact O-CG 3.37Å; E110-R114 PolarHBondContact O-N 3.31Å; E110-R114 IonicContact OE1-CZ 3.48Å; E110-R114 IonicContact OE1-NE 2.92Å; E110-R114 PolarHBondContact OE1-NE 3.42Å; E110-R114 IonicContact OE1-NH2 3.16Å; E110-R114 PolarHBondContact OE1-NH2 2.94Å; E110-R114 IonicContact OE2-CZ 3.56Å; E110-R114 IonicContact OE2-NE 2.67Å; E110-R114 IonicContact OE2-NH2 2.72Å; E110-R114 PolarHBondContact OE2-NH2 2.8Å
111	S	41.3	Very low	40.6	Very low	25 Å²	25	105.5 Å²	105.5	18%	0.175	49%	0.489	C	S	.	.	H	α-helix	trans	-59	-48.5	173.2	-179.7	0	0	0	0	111.7	D64 K107 I108 D113 R114 K115	D64-S111 WeakPolarHBondContact OD1-CB 3.48Å; D64-S111 PolarHBondContact OD1-OG 2.89Å; K107-S111 PolarHBondContact O-N 3.38Å; I108-S111 PolarHBondContact O-N 3.17Å; S111-D113 PolarHBondContact O-N 3.38Å; S111-R114 PolarHBondContact O-N 2.87Å; S111-K115 WeakPolarHBondContact O-CG 3.48Å; S111-K115 PolarHBondContact O-N 3.2Å
112	I	40.6	Very low	40.3	Very low	86 Å²	86	108.8 Å²	108.8	44%	0.441	51%	0.512	S	S	.	.	H	α-helix	trans	-59.7	-46.9	178	-67.5	165.2	0	0	0	110.8	I108 R109 K115 H116	I108-I112 HydrophobicContact CG2-CD1 3.99Å; I108-I112 WeakPolarHBondContact O-CG1 3.23Å; I108-I112 PolarHBondContact O-N 3.33Å; R109-I112 PolarHBondContact O-N 3.34Å; I112-K115 PolarHBondContact O-N 3.38Å; I112-H116 PolarHBondContact O-N 2.74Å
113	D	41.5	Very low	39.7	Very low	56 Å²	56	107 Å²	107	30%	0.299	52%	0.517	S	S	.	.	H	α-helix	trans	-71.2	-32	-178	-134.1	44.3	0	0	0	111.9	R109 E110 S111 K117	R109-D113 WeakPolarHBondContact O-CB 3.48Å; R109-D113 PolarHBondContact O-N 3.24Å; E110-D113 PolarHBondContact O-N 3Å; S111-D113 PolarHBondContact O-N 3.38Å; D113-K117 WeakPolarHBondContact O-CB 3.4Å; D113-K117 WeakPolarHBondContact O-CD 3.31Å; D113-K117 WeakPolarHBondContact O-CG 3.01Å; D113-K117 PolarHBondContact O-N 3.45Å; D113-K117 VanDerWaalsContact OD2-CE 3.3Å; D113-K117 WeakPolarHBondContact OD2-CE 3.08Å; D113-K117 IonicContact OD2-NZ 2.74Å; D113-K117 PolarHBondContact OD2-NZ 2.87Å
114	R	42.2	Very low	38.9	Very low	144 Å²	144	114.9 Å²	114.9	54%	0.543	54%	0.538	S	S	.	.	H	α-helix	trans	-64.5	-46.6	169.1	-74.6	170.1	-179	-163.9	8.3	111.1	E110 S111 H116 K117 C118	E110-R114 VanDerWaalsContact O-CB 3.26Å; E110-R114 WeakPolarHBondContact O-CB 3.48Å; E110-R114 WeakPolarHBondContact O-CG 3.37Å; E110-R114 PolarHBondContact O-N 3.31Å; E110-R114 IonicContact OE1-CZ 3.48Å; E110-R114 IonicContact OE1-NE 2.92Å; E110-R114 PolarHBondContact OE1-NE 3.42Å; E110-R114 IonicContact OE1-NH2 3.16Å; E110-R114 PolarHBondContact OE1-NH2 2.94Å; E110-R114 IonicContact OE2-CZ 3.56Å; E110-R114 IonicContact OE2-NE 2.67Å; E110-R114 IonicContact OE2-NH2 2.72Å; E110-R114 PolarHBondContact OE2-NH2 2.8Å; S111-R114 PolarHBondContact O-N 2.87Å; R114-H116 PolarHBondContact O-N 2.74Å; R114-K117 PolarHBondContact O-N 3.38Å; R114-C118 PolarHBondContact O-N 2.94Å
115	K	41.3	Very low	38.2	Very low	106 Å²	106	118 Å²	118	46%	0.461	56%	0.561	S	S	.	*	H	α-helix	trans	-62	-39.7	176.2	-74.8	176.6	-179.2	173.5	0	112.7	D64 S111 I112 C118 T119	D64-K115 IonicContact OD1-NZ 2.69Å; D64-K115 PolarHBondContact OD1-NZ 3.29Å; D64-K115 VanDerWaalsContact OD2-CE 3.28Å; D64-K115 WeakPolarHBondContact OD2-CE 3.5Å; D64-K115 IonicContact OD2-NZ 2.88Å; D64-K115 PolarHBondContact OD2-NZ 3.21Å; S111-K115 WeakPolarHBondContact O-CG 3.48Å; S111-K115 PolarHBondContact O-N 3.2Å; I112-K115 PolarHBondContact O-N 3.38Å; K115-C118 PolarHBondContact O-N 3.43Å; K115-T119 PolarHBondContact O-N 2.91Å; K115-T119 PolarHBondContact O-OG1 2.77Å
116	H	41	Very low	37.9	Very low	104 Å²	104	126 Å²	126	48%	0.481	59%	0.588	S	S	.	*	H	α-helix	trans	-71.3	-29.7	173.7	-81.7	-43	0	0	0	114.1	I112 R114 T119 K120	I112-H116 PolarHBondContact O-N 2.74Å; R114-H116 PolarHBondContact O-N 2.74Å; H116-T119 WeakPolarHBondContact CA-OG1 3.47Å; H116-T119 PolarHBondContact O-OG1 3.07Å; H116-K120 WeakPolarHBondContact O-CG 3.23Å; H116-K120 PolarHBondContact O-N 3.1Å
117	K	41.7	Very low	37.3	Very low	130 Å²	130	126.3 Å²	126.3	57%	0.565	59%	0.594	S	S	*	*	H	α-helix	trans	-72.7	-33	171.7	-74.1	162.1	-166.9	158.5	0	112.2	D113 R114	D113-K117 WeakPolarHBondContact O-CB 3.4Å; D113-K117 WeakPolarHBondContact O-CD 3.31Å; D113-K117 WeakPolarHBondContact O-CG 3.01Å; D113-K117 PolarHBondContact O-N 3.45Å; D113-K117 VanDerWaalsContact OD2-CE 3.3Å; D113-K117 WeakPolarHBondContact OD2-CE 3.08Å; D113-K117 IonicContact OD2-NZ 2.74Å; D113-K117 PolarHBondContact OD2-NZ 2.87Å; R114-K117 PolarHBondContact O-N 3.38Å
118	C	35.7	Very low	36.7	Very low	82 Å²	82	129.2 Å²	129.2	55%	0.554	61%	0.609	S	S	*	*	H	α-helix	trans	-73.3	-42.9	175.4	-74.6	0	0	0	0	113.2	R114 K115 K120 R121	R114-C118 PolarHBondContact O-N 2.94Å; K115-C118 PolarHBondContact O-N 3.43Å; C118-K120 VanDerWaalsContact C-N 3.25Å; C118-K120 PolarHBondContact O-N 2.79Å; C118-R121 WeakPolarHBondContact O-CB 3.43Å; C118-R121 PolarHBondContact O-N 3.48Å
119	T	35.8	Very low	36.5	Very low	105 Å²	105	135.4 Å²	135.4	64%	0.644	63%	0.633	S	S	*	*	H	α-helix	trans	-66.5	-23.1	178.4	42.8	0	0	0	0	113.7	K115 H116 R121	K115-T119 PolarHBondContact O-N 2.91Å; K115-T119 PolarHBondContact O-OG1 2.77Å; H116-T119 WeakPolarHBondContact CA-OG1 3.47Å; H116-T119 PolarHBondContact O-OG1 3.07Å; T119-R121 PolarHBondContact O-N 2.76Å
120	K	34.7	Very low	36.3	Very low	172 Å²	172	134.5 Å²	134.5	75%	0.748	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-72.8	3.1	173.9	-78.6	-179.2	176.4	-179.2	0	115.6	H116 C118	H116-K120 WeakPolarHBondContact O-CG 3.23Å; H116-K120 PolarHBondContact O-N 3.1Å; C118-K120 VanDerWaalsContact C-N 3.25Å; C118-K120 PolarHBondContact O-N 2.79Å
121	R	31.2	Very low	35.5	Very low	210 Å²	210	134.4 Å²	134.4	79%	0.792	65%	0.653	S	S	*	*	G	3₁₀ helix	trans	-85.2	2.2	-176.5	-73.5	-172.8	168	-178.3	-2.9	116.7	C118 T119	C118-R121 WeakPolarHBondContact O-CB 3.43Å; C118-R121 PolarHBondContact O-N 3.48Å; T119-R121 PolarHBondContact O-N 2.76Å
122	V	31.2	Very low	35	Very low	135 Å²	135	137.5 Å²	137.5	82%	0.818	68%	0.68	S	S	*	*	G	3₁₀ helix	trans	-122.7	35.7	-179.3	-156.2	0	0	0	0	113.5
123	L	28.7	Very low	34.7	Very low	163 Å²	163	138.8 Å²	138.8	85%	0.853	70%	0.696	S	S	*	*	S	Bend	trans	-126.5	111.3	160.2	-73.5	176.6	0	0	0	109.7
124	R	27.5	Very low	34.2	Very low	236 Å²	236	142.5 Å²	142.5	89%	0.891	72%	0.721	S	S	*	*			trans	-71	134	-173.6	-168	178.8	-166.3	156.2	2.3	110.5	R126	R124-R126 PolarHBondContact O-N 2.94Å
125	P	28.6	Very low	33.7	Very low	113 Å²	113	141.6 Å²	141.6	73%	0.734	73%	0.734	S	S	*	*			trans	-58.5	124.3	174.9	-23.8	33.6	0	0	0	111.3	T127	P125-T127 PolarHBondContact O-N 3.09Å
126	R	30.4	Very low	33.1	Very low	221 Å²	221	140.5 Å²	140.5	83%	0.834	74%	0.744	S	S	*	*			trans	-77.7	100.9	168	-100.3	-177.3	166.8	157.5	-2.8	108.5	R124	R124-R126 PolarHBondContact O-N 2.94Å
127	T	33.5	Very low	32.6	Very low	102 Å²	102	142.3 Å²	142.3	63%	0.626	76%	0.762	S	S	*	*			trans	-69.5	147.2	167.2	50.1	0	0	0	0	110.1	P125 K129	P125-T127 PolarHBondContact O-N 3.09Å; T127-K129 PolarHBondContact O-N 2.83Å
128	E	34.3	Very low	32.1	Very low	186 Å²	186	140.7 Å²	140.7	87%	0.869	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-62	-11.4	-169.1	-63.1	158.2	125.7	0	0	114.6	Q130 A131	E128-Q130 PolarHBondContact O-N 2.67Å; E128-Q130 VanDerWaalsContact O-N 3.08Å; E128-A131 PolarHBondContact O-N 2.87Å
129	K	35.6	Very low	31.8	Very low	200 Å²	200	146.1 Å²	146.1	87%	0.87	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-73.4	8.1	-178.2	-66	-170.9	174.5	-175.8	0	115.5	T127	T127-K129 PolarHBondContact O-N 2.83Å
130	Q	37.3	Very low	31.5	Very low	147 Å²	147	146.2 Å²	146.2	69%	0.687	79%	0.787	S	S	*	*	G	3₁₀ helix	trans	-100.5	3.1	173.3	-69.6	-165.5	-32.6	0	0	114.3	E128	E128-Q130 PolarHBondContact O-N 2.67Å; E128-Q130 VanDerWaalsContact O-N 3.08Å
131	A	32.4	Very low	31.3	Very low	99 Å²	99	142.6 Å²	142.6	82%	0.818	78%	0.783	S	S	*	*	S	Bend	trans	-85	0.4	179.1	0	0	0	0	0	114.9	E128	E128-A131 PolarHBondContact O-N 2.87Å
132	A	29.3	Very low	31.1	Very low	90 Å²	90	139.2 Å²	139.2	74%	0.744	78%	0.78	S	S	*	*			trans	-144.3	78.3	-168.3	0	0	0	0	0	114.5
133	S	35	Very low	30.9	Very low	113 Å²	113	142.3 Å²	142.3	79%	0.79	79%	0.786	S	S	*	*			trans	-172	108.4	152.3	49.2	0	0	0	0	111.8
134	V	31	Very low	30.7	Very low	134 Å²	134	138.8 Å²	138.8	81%	0.812	78%	0.78	S	S	*	*			trans	-100.8	138.7	164	175.3	0	0	0	0	108.1
135	P	32.8	Very low	30.6	Very low	126 Å²	126	134 Å²	134	82%	0.818	78%	0.778	S	S	*	*			trans	-120	153.1	130.6	-3.1	23.6	0	0	0	111.6
136	A	28.4	Very low	30.4	Very low	82 Å²	82	132.5 Å²	132.5	68%	0.678	77%	0.77	S	S	*	*			trans	-105.6	-164	-178.1	0	0	0	0	0	111.9
137	V	30.2	Very low	30	Very low	143 Å²	143	130.3 Å²	130.3	87%	0.867	77%	0.767	S	S	*	*			trans	79	128.7	171.1	-170.4	0	0	0	0	112.7
138	S	30.7	Very low	29.4	Very low	96 Å²	96	133.3 Å²	133.3	67%	0.671	77%	0.773	S	S	*	*			cis	-162.1	150.1	-0.2	44.7	0	0	0	0	114
139	K	30.4	Very low	28.9	Very low	196 Å²	196	136.1 Å²	136.1	85%	0.852	78%	0.776	S	S	*	*			trans	40.8	162.2	135	-63.7	-170.6	174.8	-174.1	0	122.7
140	S	29.3	Very low	28.4	Very low	107 Å²	107	133.6 Å²	133.6	75%	0.748	78%	0.778	S	S	*	*			trans	61.6	118.1	179.3	34.6	0	0	0	0	114.4
141	S	29.1	Very low	27.9	Very low	96 Å²	96	131.4 Å²	131.4	67%	0.671	78%	0.778	S	S	*	*			cis	92.3	145.5	37.5	79.3	0	0	0	0	114
142	D	27.9	Very low	27.5	Very low	138 Å²	138	137.3 Å²	137.3	74%	0.738	78%	0.78	S	S	*	*			trans	83.5	129.5	161.8	-50.1	-54	0	0	0	120.4
143	E	27.6	Very low	27.4	Very low	200 Å²	200	136.8 Å²	136.8	94%	0.935	76%	0.764	S	S	*	*			trans	62.6	151.2	157.9	-62.3	-163.9	117.1	0	0	122.4
144	A	23	Very low	26.9	Very low	89 Å²	89	135.9 Å²	135.9	74%	0.736	76%	0.757	S	S	*	*			trans	-107.4	145.5	-179.3	0	0	0	0	0	110.6
145	T	25.4	Very low	26.7	Very low	136 Å²	136	140.9 Å²	140.9	83%	0.834	76%	0.761	S	S	*	*			trans	-167.6	153.9	135.9	11.2	0	0	0	0	110.7
146	S	23.9	Very low	26.5	Very low	82 Å²	82	141.5 Å²	141.5	57%	0.573	75%	0.751	S	S	*	*			trans	31.9	127.1	155	58	0	0	0	0	119.4
147	F	22.1	Very low	26.4	Very low	174 Å²	174	145.6 Å²	145.6	76%	0.763	75%	0.75	S	S	*	*				-171.7	137.4	71.6	-95	-73.5	0	0	0	113.8
148	H	22.5	Very low	26.3	Very low	166 Å²	166	143 Å²	143	77%	0.769	73%	0.734	S	S	*	*			trans	52.9	147.2	152.9	-71.7	-50.5	0	0	0	123.2
149	R	22.1	Very low	26.2	Very low	244 Å²	244	146.7 Å²	146.7	92%	0.921	74%	0.739	S	S	*	*			trans	71.6	128.9	-178.7	-51.5	173.4	178.9	178.1	-1.5	111.2
150	T	25	Very low	26	Very low	148 Å²	148	144.3 Å²	144.3	91%	0.908	73%	0.728	S	S	*	*			cis	-118.9	173.1	35.9	48	0	0	0	0	115.3
151	S	27.7	Very low	26	Very low	100 Å²	100	144.5 Å²	144.5	70%	0.699	72%	0.72	S	S	*	*			trans	-99.1	136	-172.7	51.2	0	0	0	0	114.6
152	R	24.9	Very low	26	Very low	224 Å²	224	146.7 Å²	146.7	85%	0.845	72%	0.724	S	S	*	*	S	Bend	trans	30.6	129	138.6	-73.7	-177.5	178.1	166.1	-1.8	121.2	C154	R152-C154 PolarHBondContact O-N 2.72Å
153	D	25.5	Very low	25.9	Very low	78 Å²	78	141.9 Å²	141.9	42%	0.417	70%	0.701	S	S	.	*			trans	68.8	13.8	141.1	-65.4	-84.8	0	0	0	121.9	R155 K156	D153-R155 PolarHBondContact O-N 2.55Å; D153-K156 PolarHBondContact O-N 2.9Å; D153-K156 WeakPolarHBondContact OD1-CD 3.26Å; D153-K156 WeakPolarHBondContact OD1-CE 3.3Å; D153-K156 IonicContact OD1-NZ 3.96Å; D153-K156 PolarHBondContact OD1-NZ 3.03Å
154	C	25.1	Very low	25.9	Very low	95 Å²	95	139.2 Å²	139.2	64%	0.642	69%	0.693	S	S	*	*	H	α-helix	trans	-53.6	-27	170.9	-48.5	0	0	0	0	114.4	R152	R152-C154 PolarHBondContact O-N 2.72Å
155	R	28	Very low	26.2	Very low	238 Å²	238	143.6 Å²	143.6	90%	0.898	69%	0.691	S	S	*	*	H	α-helix	trans	-80.1	-7.4	179.4	-71	-172.8	178.1	-177.7	-0.6	114.9	D153	D153-R155 PolarHBondContact O-N 2.55Å
156	K	28.4	Very low	26.5	Very low	140 Å²	140	142.5 Å²	142.5	61%	0.609	68%	0.679	S	S	*	*	H	α-helix	trans	-90.7	-42	168	-73	-179.7	-173.9	145.5	0	111.4	D153 V158 K159 F160	D153-K156 PolarHBondContact O-N 2.9Å; D153-K156 WeakPolarHBondContact OD1-CD 3.26Å; D153-K156 WeakPolarHBondContact OD1-CE 3.3Å; D153-K156 IonicContact OD1-NZ 3.96Å; D153-K156 PolarHBondContact OD1-NZ 3.03Å; K156-V158 PolarHBondContact O-N 3.13Å; K156-K159 CarbonylContact O-C 3.54Å; K156-K159 WeakPolarHBondContact O-CA 3.3Å; K156-K159 PolarHBondContact O-N 2.99Å; K156-F160 PolarHBondContact O-N 3.11Å
157	Y	25.9	Very low	26.8	Very low	167 Å²	167	146.7 Å²	146.7	66%	0.655	69%	0.687	S	S	*	*	H	α-helix	trans	-54	-46.1	-179.9	-93.1	-86.3	0	0	0	113.7	K159 F160 L161	Y157-K159 PolarHBondContact O-N 3.08Å; Y157-F160 WeakPolarHBondContact O-CB 3.28Å; Y157-F160 PolarHBondContact O-N 3.4Å; Y157-L161 WeakPolarHBondContact O-CB 3.47Å; Y157-L161 WeakPolarHBondContact O-CG 3.38Å; Y157-L161 PolarHBondContact O-N 3.41Å
158	V	27.3	Very low	27.1	Very low	89 Å²	89	144.5 Å²	144.5	54%	0.539	68%	0.68	S	S	.	*	H	α-helix	trans	-64.8	-28.7	178	-179	0	0	0	0	112.3	K156 F160 L162	K156-V158 PolarHBondContact O-N 3.13Å; V158-F160 VanDerWaalsContact C-N 3.32Å; V158-L162 HydrophobicContact CG1-CD1 3.91Å; V158-L162 WeakPolarHBondContact O-CB 3.31Å; V158-L162 VanDerWaalsContact O-CG 3.31Å; V158-L162 WeakPolarHBondContact O-CG 3.32Å; V158-L162 PolarHBondContact O-N 2.87Å
159	K	28.8	Very low	27.4	Very low	174 Å²	174	145.6 Å²	145.6	76%	0.757	69%	0.685	S	S	*	*	H	α-helix	trans	-86.6	-2.3	175.8	-149.1	179.6	-178.4	-176.3	0	113.6	K156 Y157	K156-K159 CarbonylContact O-C 3.54Å; K156-K159 WeakPolarHBondContact O-CA 3.3Å; K156-K159 PolarHBondContact O-N 2.99Å; Y157-K159 PolarHBondContact O-N 3.08Å
160	F	27.4	Very low	27.9	Very low	146 Å²	146	142.4 Å²	142.4	64%	0.64	68%	0.68	S	S	*	*	H	α-helix	trans	-103.2	-38.1	175.2	-154.3	-89.8	0	0	0	110.3	K156 Y157 V158 L162 S163	K156-F160 PolarHBondContact O-N 3.11Å; Y157-F160 WeakPolarHBondContact O-CB 3.28Å; Y157-F160 PolarHBondContact O-N 3.4Å; V158-F160 VanDerWaalsContact C-N 3.32Å; F160-L162 PolarHBondContact O-N 2.83Å; F160-S163 PolarHBondContact O-N 3.14Å; F160-S163 PolarHBondContact O-OG 3.49Å
161	L	27.3	Very low	28.4	Very low	111 Å²	111	140.9 Å²	140.9	58%	0.581	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-14.7	170.6	-69	166.6	0	0	0	113.8	Y157	Y157-L161 WeakPolarHBondContact O-CB 3.47Å; Y157-L161 WeakPolarHBondContact O-CG 3.38Å; Y157-L161 PolarHBondContact O-N 3.41Å
162	L	29	Very low	28.6	Very low	141 Å²	141	143 Å²	143	74%	0.738	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.3	28.2	177.4	-60.3	175.5	0	0	0	111.8	V158 F160	V158-L162 HydrophobicContact CG1-CD1 3.91Å; V158-L162 WeakPolarHBondContact O-CB 3.31Å; V158-L162 VanDerWaalsContact O-CG 3.31Å; V158-L162 WeakPolarHBondContact O-CG 3.32Å; V158-L162 PolarHBondContact O-N 2.87Å; F160-L162 PolarHBondContact O-N 2.83Å
163	S	26.2	Very low	29	Very low	37 Å²	37	137.2 Å²	137.2	26%	0.259	66%	0.663	S	S	.	*	S	Bend	trans	-117.5	136.8	166.7	57.1	0	0	0	0	108.8	F160 R165	F160-S163 PolarHBondContact O-N 3.14Å; F160-S163 PolarHBondContact O-OG 3.49Å; S163-R165 PolarHBondContact O-N 2.89Å
164	D	28.7	Very low	29.4	Very low	145 Å²	145	138.8 Å²	138.8	78%	0.775	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-65.4	3	-171.7	-56	-78	0	0	0	115.4	L166 F167	D164-L166 PolarHBondContact O-N 3.48Å; D164-L166 VanDerWaalsContact O-N 3.09Å; D164-F167 PolarHBondContact O-N 3.05Å
165	R	29.4	Very low	29.7	Very low	180 Å²	180	141.5 Å²	141.5	68%	0.679	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-66.4	0.7	171.7	-63.6	-163.1	156.1	-171.5	-4.1	115.3	S163 F167 E168	S163-R165 PolarHBondContact O-N 2.89Å; R165-F167 PolarHBondContact O-N 3.45Å; R165-E168 WeakPolarHBondContact CG-OE2 3.29Å; R165-E168 IonicContact NE-OE2 3.67Å; R165-E168 PolarHBondContact NE-OE2 3.34Å
166	L	30.3	Very low	29.6	Very low	113 Å²	113	139.2 Å²	139.2	59%	0.592	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-74.7	0.1	165.5	-81.6	166.1	0	0	0	113.2	D164	D164-L166 PolarHBondContact O-N 3.48Å; D164-L166 VanDerWaalsContact O-N 3.09Å
167	F	30.2	Very low	29.6	Very low	171 Å²	171	138 Å²	138	75%	0.75	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-126.6	12.5	174.8	-67.6	-78.8	0	0	0	113.9	D164 R165	D164-F167 PolarHBondContact O-N 3.05Å; R165-F167 PolarHBondContact O-N 3.45Å
168	E	30	Very low	29.5	Very low	128 Å²	128	135 Å²	135	60%	0.598	68%	0.681	S	S	*	*	S	Bend	trans	-99.6	110.7	167.3	-67.6	-174.5	137.9	0	0	108.3	R165 E170	R165-E168 WeakPolarHBondContact CG-OE2 3.29Å; R165-E168 IonicContact NE-OE2 3.67Å; R165-E168 PolarHBondContact NE-OE2 3.34Å; E168-E170 PolarHBondContact O-N 3.4Å
169	E	28.7	Very low	29.4	Very low	189 Å²	189	142.3 Å²	142.3	88%	0.883	70%	0.701	S	S	*	*			trans	-67.1	120.8	176.6	-61.6	173.5	129.9	0	0	109.9	P171	E169-P171 VanDerWaalsContact O-CD 3.29Å; E169-P171 WeakPolarHBondContact O-CD 3.47Å
170	E	31.5	Very low	29.2	Very low	176 Å²	176	139.5 Å²	139.5	82%	0.822	69%	0.694	S	S	*	*			trans	-84.2	109.3	164	-79.1	-165.3	154.6	0	0	108.6	E168 N172	E168-E170 PolarHBondContact O-N 3.4Å; E170-N172 PolarHBondContact O-N 2.93Å
171	P	35.2	Very low	29.1	Very low	116 Å²	116	140.8 Å²	140.8	75%	0.753	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	33.4	-166.9	34.8	-38	0	0	0	113.3	E169	E169-P171 VanDerWaalsContact O-CD 3.29Å; E169-P171 WeakPolarHBondContact O-CD 3.47Å
172	N	32.6	Very low	28.8	Very low	146 Å²	146	139.9 Å²	139.9	78%	0.781	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.1	16.8	-173.2	-69.2	-81.7	0	0	0	113.9	E170 P174	E170-N172 PolarHBondContact O-N 2.93Å; N172-P174 VanDerWaalsContact O-CD 3.31Å; N172-P174 WeakPolarHBondContact O-CD 3.34Å
173	D	33.8	Very low	28.7	Very low	102 Å²	102	139.3 Å²	139.3	55%	0.545	72%	0.72	S	S	.	*			trans	-71.8	115.2	174.4	-168.2	-26.1	0	0	0	110.6	D175 F176	D173-D175 VanDerWaalsContact C-N 3.27Å; D173-D175 PolarHBondContact O-N 2.86Å; D173-D175 PolarHBondContact OD1-N 3.49Å; D173-D175 VanDerWaalsContact OD1-N 3.09Å; D173-F176 PolarHBondContact O-N 3.47Å
174	P	32.8	Very low	28.6	Very low	111 Å²	111	142.8 Å²	142.8	72%	0.721	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.7	-9.5	-174.6	32.6	-37.5	0	0	0	114.5	N172 F176	N172-P174 VanDerWaalsContact O-CD 3.31Å; N172-P174 WeakPolarHBondContact O-CD 3.34Å; P174-F176 VanDerWaalsContact C-N 3.28Å
175	D	31.4	Very low	28.5	Very low	151 Å²	151	143.9 Å²	143.9	81%	0.807	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	-1.9	177.2	-78.6	-18.2	0	0	0	112.8	D173	D173-D175 VanDerWaalsContact C-N 3.27Å; D173-D175 PolarHBondContact O-N 2.86Å; D173-D175 PolarHBondContact OD1-N 3.49Å; D173-D175 VanDerWaalsContact OD1-N 3.09Å
176	F	26.8	Very low	28.3	Very low	190 Å²	190	141.2 Å²	141.2	83%	0.833	75%	0.748	S	S	*	*			trans	-99.9	81.5	-177.3	-143.7	-83.7	0	0	0	113.2	D173 P174	D173-F176 PolarHBondContact O-N 3.47Å; P174-F176 VanDerWaalsContact C-N 3.28Å
177	V	27.7	Very low	28	Very low	115 Å²	115	140.5 Å²	140.5	70%	0.697	75%	0.753	S	S	*	*			trans	-99.1	119.1	-177.3	178.6	0	0	0	0	112.7
178	D	24.8	Very low	27.8	Very low	104 Å²	104	137.6 Å²	137.6	56%	0.556	75%	0.754	S	S	*	*			trans	45.8	113.3	160	-67.8	-45.5	0	0	0	119.8	N180	D178-N180 PolarHBondContact OD1-ND2 3.06Å
179	Y	24.5	Very low	27.5	Very low	243 Å²	243	136.6 Å²	136.6	95%	0.953	76%	0.761	S	S	*	*				-146.7	90.8	112.7	-111.5	-71.9	0	0	0	111.5
180	N	24.8	Very low	27.5	Very low	115 Å²	115	132.9 Å²	132.9	62%	0.615	75%	0.753	S	S	*	*			trans	-59.2	138.2	178.3	-56.6	-84.7	0	0	0	113	D178	D178-N180 PolarHBondContact OD1-ND2 3.06Å
181	L	24.5	Very low	27.2	Very low	173 Å²	173	129.5 Å²	129.5	91%	0.906	75%	0.749	S	S	*	*				172.6	138.9	107	-89.9	162.5	0	0	0	111.2
182	A	21.9	Very low	26.8	Very low	92 Å²	92	132.2 Å²	132.2	76%	0.76	75%	0.752	S	S	*	*			trans	-114.7	-159.2	179.7	0	0	0	0	0	110.9
183	P	26.9	Very low	26.6	Very low	129 Å²	129	131.6 Å²	131.6	84%	0.838	75%	0.753	S	S	*	*				-108.3	160.7	-117.8	37	-23.4	0	0	0	115.3
184	S	25.2	Very low	26.2	Very low	110 Å²	110	135.1 Å²	135.1	77%	0.769	77%	0.766	S	S	*	*			trans	-167.4	140.2	173.3	178.5	0	0	0	0	108
185	E	25.7	Very low	26.1	Very low	167 Å²	167	136.3 Å²	136.3	78%	0.78	76%	0.76	S	S	*	*			cis	-179.8	144.5	-18.9	-117.1	-176.6	176.2	0	0	105.7
186	V	24.3	Very low	26.1	Very low	124 Å²	124	131.9 Å²	131.9	75%	0.752	74%	0.741	S	S	*	*			trans	72.8	145	142.7	176.3	0	0	0	0	122.1
187	S	25.7	Very low	26.4	Very low	99 Å²	99	131.2 Å²	131.2	69%	0.692	74%	0.741	S	S	*	*			trans	67.3	119.9	173.4	55.5	0	0	0	0	116.7
188	S	24.9	Very low	26.8	Very low	109 Å²	109	133.4 Å²	133.4	76%	0.762	74%	0.743	S	S	*	*			cis	72.9	139.4	45.6	88.9	0	0	0	0	113
189	S	24.2	Very low	27.2	Very low	107 Å²	107	133.2 Å²	133.2	75%	0.748	74%	0.738	S	S	*	*			cis	-149.9	172.5	24.4	-31.7	0	0	0	0	111.5
190	P	27.5	Very low	27.7	Very low	112 Å²	112	128 Å²	128	73%	0.727	72%	0.716	S	S	*	*			trans	-95.9	169.8	-172.2	38.9	-36.1	0	0	0	115.1
191	S	26.7	Very low	28.2	Very low	105 Å²	105	127.2 Å²	127.2	73%	0.734	71%	0.709	S	S	*	*			trans	-154.7	108.5	150.3	57.4	0	0	0	0	106.3
192	E	25.5	Very low	28.7	Very low	172 Å²	172	123.2 Å²	123.2	80%	0.804	69%	0.688	S	S	*	*				55.2	96.3	71.3	-60.1	-178.5	163.4	0	0	111
193	V	29.6	Very low	29.1	Very low	134 Å²	134	120.9 Å²	120.9	81%	0.812	67%	0.666	S	S	*	*			trans	-127.6	110.3	154.2	176.3	0	0	0	0	105.3	F195	V193-F195 PolarHBondContact O-N 3.06Å
194	E	26	Very low	29.3	Very low	176 Å²	176	119.5 Å²	119.5	82%	0.822	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-52.6	127.2	-173.8	-60.3	129	143.5	0	0	111.9
195	F	30	Very low	29.7	Very low	135 Å²	135	119 Å²	119	59%	0.592	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-60.6	132.3	143.3	-64.9	-89	0	0	0	106.3	V193 F199 W200	V193-F195 PolarHBondContact O-N 3.06Å; F195-F199 HydrophobicContact CB-CD1 4.17Å; F195-F199 AromaticContact CD1-CD1 3.7Å; F195-F199 HydrophobicContact CD1-CD1 3.7Å; F195-F199 AromaticContact CD1-CE1 3.74Å; F195-F199 HydrophobicContact CD1-CE1 3.74Å; F195-F199 HydrophobicContact CE1-CE1 4.14Å; F195-F199 HydrophobicContact CG-CD1 4.3Å; F195-W200 VanDerWaalsContact CB-NE1 3.3Å; F195-W200 HydrophobicContact CD2-CZ2 4.16Å; F195-W200 AromaticContact CD2-NE1 3.82Å; F195-W200 HydrophobicContact CE2-CZ2 4.4Å; F195-W200 HydrophobicContact CG-CZ2 4.4Å; F195-W200 AromaticContact CG-NE1 3.72Å
196	S	31.5	Very low	30	Very low	59 Å²	59	116 Å²	116	41%	0.413	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-60.4	147.4	178.2	52.5	0	0	0	0	110.7	E198 F199 W200	S196-E198 PolarHBondContact O-N 2.76Å; S196-F199 WeakPolarHBondContact O-CB 3.46Å; S196-F199 PolarHBondContact O-N 3.07Å; S196-F199 WeakPolarHBondContact OG-CB 3.39Å; S196-F199 PolarHBondContact OG-N 3.16Å; S196-F199 VanDerWaalsContact OG-N 3.11Å; S196-W200 PolarHBondContact O-N 3.29Å; S196-W200 VanDerWaalsContact O-N 3.11Å
197	E	32.8	Very low	30.5	Very low	176 Å²	176	115.4 Å²	115.4	82%	0.822	62%	0.615	S	S	*	*	H	α-helix	trans	-53.1	-34.5	166.6	-67	-177.7	149.3	0	0	109.8	F199 W200 H201	E197-F199 VanDerWaalsContact C-N 3.33Å; E197-F199 PolarHBondContact O-N 2.96Å; E197-W200 PolarHBondContact O-N 2.95Å; E197-H201 WeakPolarHBondContact O-CA 3.35Å; E197-H201 WeakPolarHBondContact O-CB 3.32Å; E197-H201 PolarHBondContact O-N 3.34Å
198	E	36.8	Very low	30.6	Very low	161 Å²	161	115.7 Å²	115.7	75%	0.752	61%	0.605	S	S	*	*	H	α-helix	trans	-62.9	-30.2	173.8	-152.8	175.1	-138.6	0	0	114.1	S196 N202	S196-E198 PolarHBondContact O-N 2.76Å; E198-N202 WeakPolarHBondContact O-CB 3.46Å; E198-N202 PolarHBondContact O-N 3Å; E198-N202 VanDerWaalsContact O-N 3.17Å
199	F	32.3	Very low	30.9	Very low	99 Å²	99	114.1 Å²	114.1	43%	0.434	60%	0.595	S	S	.	*	H	α-helix	trans	-77.6	-47	173.6	175.9	-95.3	0	0	0	111.2	F195 S196 E197 N202 C203	F195-F199 HydrophobicContact CB-CD1 4.17Å; F195-F199 AromaticContact CD1-CD1 3.7Å; F195-F199 HydrophobicContact CD1-CD1 3.7Å; F195-F199 AromaticContact CD1-CE1 3.74Å; F195-F199 HydrophobicContact CD1-CE1 3.74Å; F195-F199 HydrophobicContact CE1-CE1 4.14Å; F195-F199 HydrophobicContact CG-CD1 4.3Å; S196-F199 WeakPolarHBondContact O-CB 3.46Å; S196-F199 PolarHBondContact O-N 3.07Å; S196-F199 WeakPolarHBondContact OG-CB 3.39Å; S196-F199 PolarHBondContact OG-N 3.16Å; S196-F199 VanDerWaalsContact OG-N 3.11Å; E197-F199 VanDerWaalsContact C-N 3.33Å; E197-F199 PolarHBondContact O-N 2.96Å; F199-N202 PolarHBondContact O-N 2.67Å; F199-C203 WeakPolarHBondContact O-CB 3.49Å; F199-C203 PolarHBondContact O-N 3.27Å; F199-C203 PolarHBondContact O-SG 3.21Å
200	W	34.3	Very low	31.1	Very low	134 Å²	134	114.2 Å²	114.2	51%	0.508	59%	0.586	S	S	.	*	H	α-helix	trans	-63.2	-45.8	176.2	-79.3	116.7	0	0	0	111.5	F195 S196 E197 N202 C203 E204	F195-W200 VanDerWaalsContact CB-NE1 3.3Å; F195-W200 HydrophobicContact CD2-CZ2 4.16Å; F195-W200 AromaticContact CD2-NE1 3.82Å; F195-W200 HydrophobicContact CE2-CZ2 4.4Å; F195-W200 HydrophobicContact CG-CZ2 4.4Å; F195-W200 AromaticContact CG-NE1 3.72Å; S196-W200 PolarHBondContact O-N 3.29Å; S196-W200 VanDerWaalsContact O-N 3.11Å; E197-W200 PolarHBondContact O-N 2.95Å; W200-N202 VanDerWaalsContact C-N 3.29Å; W200-N202 PolarHBondContact O-N 3.17Å; W200-C203 CarbonylContact O-C 3.51Å; W200-C203 WeakPolarHBondContact O-CA 3.44Å; W200-C203 WeakPolarHBondContact O-CB 3.02Å; W200-C203 PolarHBondContact O-N 3.14Å; W200-C203 VanDerWaalsContact O-N 3.11Å; W200-E204 WeakPolarHBondContact O-CB 3.46Å; W200-E204 WeakPolarHBondContact O-CG 3.18Å; W200-E204 PolarHBondContact O-N 2.98Å
201	H	35.5	Very low	31	Very low	98 Å²	98	111.4 Å²	111.4	45%	0.454	57%	0.573	S	S	.	*	H	α-helix	trans	-66.7	-27.6	178.3	-165.8	51.3	0	0	0	112.8	E197 Q205	E197-H201 WeakPolarHBondContact O-CA 3.35Å; E197-H201 WeakPolarHBondContact O-CB 3.32Å; E197-H201 PolarHBondContact O-N 3.34Å; H201-Q205 PolarHBondContact CD2-NE2 3.13Å; H201-Q205 VanDerWaalsContact CD2-NE2 3.27Å; H201-Q205 PolarHBondContact NE2-NE2 2.76Å; H201-Q205 VanDerWaalsContact O-CB 3.23Å; H201-Q205 WeakPolarHBondContact O-CB 3.4Å; H201-Q205 WeakPolarHBondContact O-CG 3.46Å; H201-Q205 PolarHBondContact O-N 3.24Å
202	N	35.9	Very low	31.2	Very low	90 Å²	90	112.5 Å²	112.5	48%	0.481	57%	0.57	S	S	.	*	H	α-helix	trans	-79.2	-33.4	171.9	-164.6	-7.1	0	0	0	111.5	E198 F199 W200 N206	E198-N202 WeakPolarHBondContact O-CB 3.46Å; E198-N202 PolarHBondContact O-N 3Å; E198-N202 VanDerWaalsContact O-N 3.17Å; F199-N202 PolarHBondContact O-N 2.67Å; W200-N202 VanDerWaalsContact C-N 3.29Å; W200-N202 PolarHBondContact O-N 3.17Å; N202-N206 WeakPolarHBondContact O-CB 3.35Å; N202-N206 PolarHBondContact O-N 3.36Å; N202-N206 PolarHBondContact O-ND2 2.75Å; N202-N206 PolarHBondContact OD1-ND2 3.42Å
203	C	30.7	Very low	31.4	Very low	43 Å²	43	106.6 Å²	106.6	29%	0.291	55%	0.548	S	S	.	.	H	α-helix	trans	-67.7	-40.8	168.6	-74.6	0	0	0	0	112.3	F199 W200 N206 L207	F199-C203 WeakPolarHBondContact O-CB 3.49Å; F199-C203 PolarHBondContact O-N 3.27Å; F199-C203 PolarHBondContact O-SG 3.21Å; W200-C203 CarbonylContact O-C 3.51Å; W200-C203 WeakPolarHBondContact O-CA 3.44Å; W200-C203 WeakPolarHBondContact O-CB 3.02Å; W200-C203 PolarHBondContact O-N 3.14Å; W200-C203 VanDerWaalsContact O-N 3.11Å; C203-N206 PolarHBondContact O-N 2.76Å; C203-L207 WeakPolarHBondContact O-CB 3.23Å; C203-L207 WeakPolarHBondContact O-CD1 3.03Å; C203-L207 VanDerWaalsContact O-CG 3.25Å; C203-L207 WeakPolarHBondContact O-CG 3.49Å; C203-L207 PolarHBondContact O-N 3.46Å
204	E	30.8	Very low	31.3	Very low	100 Å²	100	104.5 Å²	104.5	47%	0.467	53%	0.531	S	S	.	.	H	α-helix	trans	-65.4	-52.3	173.9	-73.4	173.6	145.1	0	0	109.8	W200 N206 L207 E208	W200-E204 WeakPolarHBondContact O-CB 3.46Å; W200-E204 WeakPolarHBondContact O-CG 3.18Å; W200-E204 PolarHBondContact O-N 2.98Å; E204-N206 PolarHBondContact O-N 2.95Å; E204-N206 VanDerWaalsContact O-N 3.14Å; E204-L207 CarbonylContact O-C 3.49Å; E204-L207 WeakPolarHBondContact O-CA 3.35Å; E204-L207 PolarHBondContact O-N 3.13Å; E204-E208 WeakPolarHBondContact O-CB 3.43Å; E204-E208 WeakPolarHBondContact O-CG 3.21Å; E204-E208 PolarHBondContact O-N 3.16Å
205	Q	32.6	Very low	31.5	Very low	100 Å²	100	102.8 Å²	102.8	47%	0.467	52%	0.523	S	S	.	.	H	α-helix	trans	-56.4	-34.8	174.6	-77.2	179.7	18.2	0	0	113.3	H201 S209	H201-Q205 PolarHBondContact CD2-NE2 3.13Å; H201-Q205 VanDerWaalsContact CD2-NE2 3.27Å; H201-Q205 PolarHBondContact NE2-NE2 2.76Å; H201-Q205 VanDerWaalsContact O-CB 3.23Å; H201-Q205 WeakPolarHBondContact O-CB 3.4Å; H201-Q205 WeakPolarHBondContact O-CG 3.46Å; H201-Q205 PolarHBondContact O-N 3.24Å; Q205-S209 WeakPolarHBondContact O-CB 3.29Å; Q205-S209 PolarHBondContact O-N 3.03Å
206	N	33.5	Very low	31.4	Very low	103 Å²	103	99.1 Å²	99.1	55%	0.551	51%	0.508	S	S	*	.	H	α-helix	trans	-79.7	-13.8	174.4	-78.8	-80.3	0	0	0	114.3	N202 C203 E204 L210	N202-N206 WeakPolarHBondContact O-CB 3.35Å; N202-N206 PolarHBondContact O-N 3.36Å; N202-N206 PolarHBondContact O-ND2 2.75Å; N202-N206 PolarHBondContact OD1-ND2 3.42Å; C203-N206 PolarHBondContact O-N 2.76Å; E204-N206 PolarHBondContact O-N 2.95Å; E204-N206 VanDerWaalsContact O-N 3.14Å; N206-L210 WeakPolarHBondContact O-CB 3.44Å
207	L	32.8	Very low	31.4	Very low	111 Å²	111	100.7 Å²	100.7	58%	0.581	51%	0.512	S	S	*	.	H	α-helix	trans	-97.2	-35.4	173.8	-76.9	166.6	0	0	0	112.1	C203 E204 L210 A211	C203-L207 WeakPolarHBondContact O-CB 3.23Å; C203-L207 WeakPolarHBondContact O-CD1 3.03Å; C203-L207 VanDerWaalsContact O-CG 3.25Å; C203-L207 WeakPolarHBondContact O-CG 3.49Å; C203-L207 PolarHBondContact O-N 3.46Å; E204-L207 CarbonylContact O-C 3.49Å; E204-L207 WeakPolarHBondContact O-CA 3.35Å; E204-L207 PolarHBondContact O-N 3.13Å; L207-L210 CarbonylContact O-C 3.41Å; L207-L210 WeakPolarHBondContact O-CA 3.45Å; L207-L210 WeakPolarHBondContact O-CB 3.46Å; L207-L210 PolarHBondContact O-N 2.86Å; L207-A211 WeakPolarHBondContact O-CB 3.4Å; L207-A211 PolarHBondContact O-N 3.22Å
208	E	29.4	Very low	31.2	Very low	105 Å²	105	99.7 Å²	99.7	49%	0.491	51%	0.508	S	S	.	.	H	α-helix	trans	-67.2	-46.8	169.7	-68.4	179.2	134.6	0	0	109.5	E204 L210 A211 D212	E204-E208 WeakPolarHBondContact O-CB 3.43Å; E204-E208 WeakPolarHBondContact O-CG 3.21Å; E204-E208 PolarHBondContact O-N 3.16Å; E208-L210 PolarHBondContact O-N 3.31Å; E208-L210 VanDerWaalsContact O-N 3.12Å; E208-A211 CarbonylContact O-C 3.48Å; E208-A211 WeakPolarHBondContact O-CA 3.41Å; E208-A211 PolarHBondContact O-N 3.05Å; E208-D212 WeakPolarHBondContact O-CB 3.5Å; E208-D212 PolarHBondContact O-N 2.97Å
209	S	30.3	Very low	30.9	Very low	77 Å²	77	97.1 Å²	97.1	54%	0.538	51%	0.505	S	S	.	.	H	α-helix	trans	-59.2	-26.2	169.6	-176.9	0	0	0	0	113.2	Q205 S213	Q205-S209 WeakPolarHBondContact O-CB 3.29Å; Q205-S209 PolarHBondContact O-N 3.03Å; S209-S213 WeakPolarHBondContact O-CB 2.97Å; S209-S213 PolarHBondContact O-N 3.47Å; S209-S213 PolarHBondContact O-OG 2.87Å
210	L	29	Very low	30.7	Very low	108 Å²	108	99.6 Å²	99.6	57%	0.565	53%	0.528	S	S	*	.	H	α-helix	trans	-86	-13.5	174.1	-157.6	72.8	0	0	0	113.4	N206 L207 E208 I214	N206-L210 WeakPolarHBondContact O-CB 3.44Å; L207-L210 CarbonylContact O-C 3.41Å; L207-L210 WeakPolarHBondContact O-CA 3.45Å; L207-L210 WeakPolarHBondContact O-CB 3.46Å; L207-L210 PolarHBondContact O-N 2.86Å; E208-L210 PolarHBondContact O-N 3.31Å; E208-L210 VanDerWaalsContact O-N 3.12Å; L210-I214 VanDerWaalsContact O-CD1 3.28Å; L210-I214 WeakPolarHBondContact O-CD1 3.24Å; L210-I214 WeakPolarHBondContact O-CG1 3.38Å
211	A	25.6	Very low	30.3	Very low	54 Å²	54	98.1 Å²	98.1	45%	0.446	54%	0.539	S	S	.	.	H	α-helix	trans	-98.1	-43.4	176.4	0	0	0	0	0	111.6	L207 E208 S213 I214	L207-A211 WeakPolarHBondContact O-CB 3.4Å; L207-A211 PolarHBondContact O-N 3.22Å; E208-A211 CarbonylContact O-C 3.48Å; E208-A211 WeakPolarHBondContact O-CA 3.41Å; E208-A211 PolarHBondContact O-N 3.05Å; A211-S213 VanDerWaalsContact C-N 3.26Å; A211-S213 PolarHBondContact O-N 2.96Å; A211-I214 CarbonylContact O-C 3.32Å; A211-I214 VanDerWaalsContact O-CA 3.28Å; A211-I214 WeakPolarHBondContact O-CA 3.25Å; A211-I214 WeakPolarHBondContact O-CB 3.43Å; A211-I214 PolarHBondContact O-N 2.87Å
212	D	30	Very low	29.9	Very low	128 Å²	128	100.4 Å²	100.4	68%	0.684	56%	0.56	S	S	*	*	H	α-helix	trans	-66.9	-26.5	176.1	-66.8	-19.7	0	0	0	112.1	E208 I214 E215	E208-D212 WeakPolarHBondContact O-CB 3.5Å; E208-D212 PolarHBondContact O-N 2.97Å; D212-I214 PolarHBondContact O-N 3.41Å; D212-E215 PolarHBondContact O-N 3.05Å
213	S	30.8	Very low	29.5	Very low	47 Å²	47	100.6 Å²	100.6	33%	0.329	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.8	2.2	168.8	59.9	0	0	0	0	113.8	S209 A211 N381	S209-S213 WeakPolarHBondContact O-CB 2.97Å; S209-S213 PolarHBondContact O-N 3.47Å; S209-S213 PolarHBondContact O-OG 2.87Å; A211-S213 VanDerWaalsContact C-N 3.26Å; A211-S213 PolarHBondContact O-N 2.96Å; S213-N381 PolarHBondContact O-ND2 2.68Å
214	I	26.1	Very low	29.6	Very low	90 Å²	90	104.1 Å²	104.1	46%	0.462	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-109	48.3	163.2	-48.6	173.1	0	0	0	107.8	L210 A211 D212 M216	L210-I214 VanDerWaalsContact O-CD1 3.28Å; L210-I214 WeakPolarHBondContact O-CD1 3.24Å; L210-I214 WeakPolarHBondContact O-CG1 3.38Å; A211-I214 CarbonylContact O-C 3.32Å; A211-I214 VanDerWaalsContact O-CA 3.28Å; A211-I214 WeakPolarHBondContact O-CA 3.25Å; A211-I214 WeakPolarHBondContact O-CB 3.43Å; A211-I214 PolarHBondContact O-N 2.87Å; D212-I214 PolarHBondContact O-N 3.41Å; I214-M216 HydrophobicContact CG2-CE 4.29Å; I214-M216 HydrophobicContact CG2-CG 4.07Å; I214-M216 HydrophobicContact CG2-SD 4.01Å; I214-M216 WeakPolarHBondContact O-CG 3.36Å
215	E	30.4	Very low	29.6	Very low	141 Å²	141	103.4 Å²	103.4	66%	0.659	60%	0.596	S	S	*	*			trans	-51.1	137.7	160.3	-172	-175.1	-127.5	0	0	110.1	D212	D212-E215 PolarHBondContact O-N 3.05Å
216	M	28.1	Very low	29.5	Very low	57 Å²	57	105.6 Å²	105.6	28%	0.281	61%	0.611	S	S	.	*			trans	-153.5	156.9	-171.2	-73.8	-151.8	-58.9	0	0	112.7	I214 Y384 I385	I214-M216 HydrophobicContact CG2-CE 4.29Å; I214-M216 HydrophobicContact CG2-CG 4.07Å; I214-M216 HydrophobicContact CG2-SD 4.01Å; I214-M216 WeakPolarHBondContact O-CG 3.36Å; M216-Y384 HydrophobicContact CB-CD2 3.88Å; M216-Y384 HydrophobicContact CG-CD2 4.13Å; M216-Y384 WeakPolarHBondContact SD-CA 3.31Å; M216-Y384 PolarHBondContact SD-N 3.29Å; M216-Y384 VanDerWaalsContact SD-N 3.35Å; M216-Y384 VanDerWaalsContact SD-O 3.32Å; M216-I385 HydrophobicContact CB-CB 3.34Å; M216-I385 HydrophobicContact CB-CD1 3.82Å; M216-I385 HydrophobicContact CB-CG1 3.58Å; M216-I385 HydrophobicContact CE-CG1 4.49Å; M216-I385 WeakPolarHBondContact O-CB 3.37Å; M216-I385 WeakPolarHBondContact O-CD1 3.44Å
217	D	31.4	Very low	29.6	Very low	93 Å²	93	105 Å²	105	50%	0.497	61%	0.613	S	S	.	*			trans	-129.4	169.4	172.5	-63.9	-59.2	0	0	0	115.6	Y384 I385	D217-Y384 HydrophobicContact CB-CD1 3.6Å; D217-Y384 HydrophobicContact CB-CE1 3.35Å; D217-Y384 HydrophobicContact CB-CG 4.26Å; D217-Y384 CarbonylContact O-C 3.56Å; D217-Y384 WeakPolarHBondContact O-CB 3.34Å; D217-Y384 WeakPolarHBondContact O-CD1 3.45Å; D217-Y384 VanDerWaalsContact OD2-CE1 3.24Å; D217-Y384 WeakPolarHBondContact OD2-CE1 3.47Å; D217-Y384 PolarHBondContact OD2-OH 2.93Å; D217-I385 VanDerWaalsContact CA-CG2 3.44Å; D217-I385 PolarHBondContact O-N 3.4Å
218	E	29	Very low	29.6	Very low	155 Å²	155	106.5 Å²	106.5	72%	0.724	62%	0.621	S	S	*	*			trans	-109.3	171.5	174.5	-109.8	-143.4	126.3	0	0	114.6	I385	E218-I385 HydrophobicContact CB-CG2 4.48Å; E218-I385 HydrophobicContact CG-CG2 4.46Å
219	P	31	Very low	29.9	Very low	106 Å²	106	110.2 Å²	110.2	69%	0.688	63%	0.631	S	S	*	*			trans	-95.3	166	-166.5	37.5	-37.1	0	0	0	116.7
220	T	28.1	Very low	30	Very low	152 Å²	152	116.2 Å²	116.2	93%	0.933	64%	0.642	S	S	*	*			trans	-151.8	156.5	164.9	-27.2	0	0	0	0	113.1
221	S	25.1	Very low	30.2	Very low	103 Å²	103	115.2 Å²	115.2	72%	0.72	64%	0.644	S	S	*	*			trans	-118.3	151.2	-164.7	62.6	0	0	0	0	115.7
222	T	27.5	Very low	30.5	Very low	146 Å²	146	120.2 Å²	120.2	90%	0.896	66%	0.662	S	S	*	*			trans	-166.7	137.7	135.1	14.5	0	0	0	0	114.3
223	S	28.3	Very low	30.7	Very low	93 Å²	93	119.1 Å²	119.1	65%	0.65	66%	0.657	S	S	*	*			trans	-102.6	167.9	164.9	-34.3	0	0	0	0	110.3
224	P	31.7	Very low	30.7	Very low	118 Å²	118	123.8 Å²	123.8	77%	0.766	67%	0.673	S	S	*	*				-142.2	-157.6	70.4	35.4	-11.5	0	0	0	112.1
225	S	30.9	Very low	31.1	Very low	85 Å²	85	125.4 Å²	125.4	59%	0.594	68%	0.683	S	S	*	*			cis	-157	-133.1	19.5	64.5	0	0	0	0	115	F419	S225-F419 WeakPolarHBondContact O-CZ 3.45Å
226	N	29.8	Very low	31.2	Very low	145 Å²	145	124.8 Å²	124.8	78%	0.775	68%	0.684	S	S	*	*			trans	-173.8	-170.2	-166.9	-131.2	-26	0	0	0	109.2
227	P	36	Very low	31.3	Very low	91 Å²	91	128.3 Å²	128.3	59%	0.591	70%	0.704	S	S	*	*			cis	-142.6	-166.7	-13.4	32.5	-7.3	0	0	0	117.1
228	N	32.3	Very low	31.3	Very low	142 Å²	142	130.7 Å²	130.7	76%	0.759	72%	0.717	S	S	*	*			trans	97.6	143.3	161.1	-67.8	-68.3	0	0	0	117.8
229	R	36.2	Very low	31.5	Very low	183 Å²	183	127.2 Å²	127.2	69%	0.691	71%	0.71	S	S	*	*			cis	-168.5	139.4	26.7	-139.5	176.7	-167.4	-169.4	7.5	114.2
230	R	32.9	Very low	31.6	Very low	203 Å²	203	129.5 Å²	129.5	77%	0.766	72%	0.716	S	S	*	*			trans	62.6	156.4	146.2	-76.3	172.5	-172.6	-175.2	-2.4	120.7
231	S	33.5	Very low	31.7	Very low	88 Å²	88	125.5 Å²	125.5	62%	0.615	70%	0.698	S	S	*	*			cis	-177	144.4	-11	47.5	0	0	0	0	113.8
232	L	32.1	Very low	31.9	Very low	158 Å²	158	129.6 Å²	129.6	83%	0.827	71%	0.706	S	S	*	*			trans	52.2	155.8	146	-77.9	70.5	0	0	0	119
233	N	32.9	Very low	31.9	Very low	106 Å²	106	126.3 Å²	126.3	57%	0.567	69%	0.694	S	S	*	*			cis	-158.9	140.3	17.2	-131	28.7	0	0	0	109.5
234	E	32.3	Very low	31.7	Very low	145 Å²	145	129.2 Å²	129.2	68%	0.678	70%	0.701	S	S	*	*				91.6	136.8	93.9	-95	-175.8	-163.3	0	0	119.7
235	N	33.4	Very low	31.5	Very low	123 Å²	123	129.9 Å²	129.9	66%	0.658	70%	0.703	S	S	*	*			trans	84.8	126	146.8	-56.1	-20.1	0	0	0	124.4
236	N	32.2	Very low	31.2	Very low	128 Å²	128	130.1 Å²	130.1	68%	0.684	71%	0.705	S	S	*	*			trans	69.6	153.4	140.1	-67.8	42.9	0	0	0	120.7
237	D	30.6	Very low	31	Very low	132 Å²	132	128.6 Å²	128.6	71%	0.706	71%	0.705	S	S	*	*			cis	-154.2	163.7	-1.8	-115	-28.7	0	0	0	113.5
238	D	31.4	Very low	30.7	Very low	142 Å²	142	130.7 Å²	130.7	76%	0.759	72%	0.716	S	S	*	*			trans	-29.1	172.5	157.8	-86.2	32	0	0	0	120.2
239	S	32.5	Very low	30.4	Very low	83 Å²	83	128.8 Å²	128.8	58%	0.58	71%	0.714	S	S	*	*			cis	-162.1	161.7	-11.4	-100.1	0	0	0	0	108.3
240	D	33.1	Very low	30.2	Very low	153 Å²	153	125.5 Å²	125.5	82%	0.818	72%	0.716	S	S	*	*				149.9	162.8	94.3	-101.6	-32	0	0	0	107.6
241	A	31.3	Very low	30	Very low	68 Å²	68	123.4 Å²	123.4	56%	0.562	72%	0.715	S	S	*	*			cis	-167.9	143.3	-18.6	0	0	0	0	0	112
242	Q	29.4	Very low	29.7	Very low	190 Å²	190	126.1 Å²	126.1	89%	0.888	72%	0.718	S	S	*	*			trans	61.3	166.8	138.6	-68.5	179.4	49.1	0	0	121
243	A	27.2	Very low	29.4	Very low	77 Å²	77	124.1 Å²	124.1	64%	0.636	71%	0.708	S	S	*	*			cis	-175.8	171.2	-26.4	0	0	0	0	0	109.5
244	L	24.8	Very low	29.3	Very low	154 Å²	154	130 Å²	130	81%	0.806	72%	0.723	S	S	*	*			cis	-171.4	143.1	-31.3	-95	171	0	0	0	109.1
245	V	26.9	Very low	28.9	Very low	131 Å²	131	128.4 Å²	128.4	79%	0.794	72%	0.722	S	S	*	*			trans	66.5	158.1	147.8	169.2	0	0	0	0	119
246	S	24.4	Very low	28.5	Very low	91 Å²	91	129.2 Å²	129.2	64%	0.636	73%	0.726	S	S	*	*			cis	-171	147.2	-41.9	-76.1	0	0	0	0	111.6
247	S	25.5	Very low	28.3	Very low	112 Å²	112	130.5 Å²	130.5	78%	0.783	73%	0.728	S	S	*	*			trans	74.4	163	143.1	74.5	0	0	0	0	123.9
248	V	29.3	Very low	28	Very low	136 Å²	136	128.4 Å²	128.4	82%	0.824	72%	0.723	S	S	*	*			trans	94.6	141.1	167.2	-169.2	0	0	0	0	117.8
249	S	25.8	Very low	27.8	Very low	102 Å²	102	126 Å²	126	71%	0.713	72%	0.717	S	S	*	*			trans	-122.8	-166.3	-166.7	-34.3	0	0	0	0	110.9
250	P	33.8	Very low	27.6	Very low	114 Å²	114	129.3 Å²	129.3	74%	0.74	73%	0.728	S	S	*	*				-126.5	-161.8	-52.4	32.5	-13.1	0	0	0	111.8
251	Q	28	Very low	27.3	Very low	158 Å²	158	128.2 Å²	128.2	74%	0.738	72%	0.722	S	S	*	*			trans	91	137.3	156.1	-83.2	-161.7	20	0	0	121.6
252	Q	26	Very low	27.1	Very low	145 Å²	145	130.7 Å²	130.7	68%	0.678	73%	0.73	S	S	*	*			trans	80.9	111.4	146.4	-77.4	-173.7	53.5	0	0	122
253	N	27.1	Very low	26.9	Very low	117 Å²	117	129.9 Å²	129.9	63%	0.626	72%	0.724	S	S	*	*				87	128.3	125.6	-77.4	-36.9	0	0	0	121.4
254	R	29.6	Very low	27	Very low	229 Å²	229	132.4 Å²	132.4	86%	0.864	73%	0.731	S	S	*	*			trans	74.6	152.3	142.4	-71.8	175.6	-178.7	-171	-0.5	118.7
255	V	24.3	Very low	27	Very low	111 Å²	111	130.8 Å²	130.8	67%	0.673	73%	0.728	S	S	*	*			cis	-171	141.6	-32.4	103.2	0	0	0	0	108.6
256	L	26	Very low	27.3	Very low	140 Å²	140	129.9 Å²	129.9	73%	0.733	73%	0.725	S	S	*	*			trans	56.6	-179.2	171.1	-81.7	45.9	0	0	0	113
257	E	27.4	Very low	27.5	Very low	156 Å²	156	132.6 Å²	132.6	73%	0.729	74%	0.738	S	S	*	*			cis	-154.7	176.1	-25.4	-116.2	174.2	-124.9	0	0	106.2
258	C	24.9	Very low	27.7	Very low	88 Å²	88	135.6 Å²	135.6	60%	0.595	74%	0.739	S	S	*	*			cis	-149.9	140.4	-0.3	-132.7	0	0	0	0	106.1
259	S	26.8	Very low	27.9	Very low	91 Å²	91	133.6 Å²	133.6	64%	0.636	73%	0.729	S	S	*	*				69.9	151.7	92	-57.4	0	0	0	0	117.6
260	N	28.9	Very low	28.2	Very low	152 Å²	152	133.6 Å²	133.6	81%	0.813	73%	0.729	S	S	*	*			trans	80.5	150.4	174.1	-45.6	-19.9	0	0	0	116.5
261	D	25.6	Very low	28	Very low	130 Å²	130	135.3 Å²	135.3	70%	0.695	73%	0.731	S	S	*	*			cis	172.3	-173.1	-36.5	-125.9	-54.4	0	0	0	106.3
262	V	28.3	Very low	27.9	Very low	121 Å²	121	135 Å²	135	73%	0.733	73%	0.734	S	S	*	*			trans	82.1	97.9	177.1	-170.9	0	0	0	0	112
263	F	23.8	Very low	28.3	Very low	172 Å²	172	132.7 Å²	132.7	75%	0.754	73%	0.731	S	S	*	*				56.2	138.6	81.9	-72.8	-100.3	0	0	0	112.9
264	V	29.7	Very low	28.3	Very low	131 Å²	131	136.5 Å²	136.5	79%	0.794	74%	0.743	S	S	*	*			cis	-145.4	167.1	48.7	168.1	0	0	0	0	111.4
265	T	26	Very low	28.3	Very low	119 Å²	119	131.9 Å²	131.9	73%	0.73	74%	0.74	S	S	*	*			trans	-105.9	-143.2	-168.7	49.8	0	0	0	0	114
266	P	31.2	Very low	28.6	Very low	113 Å²	113	134.9 Å²	134.9	73%	0.734	75%	0.747	S	S	*	*				-129.3	-179.4	-119.1	41	-21.3	0	0	0	116.3
267	T	30.3	Very low	28.9	Very low	148 Å²	148	133 Å²	133	91%	0.908	74%	0.743	S	S	*	*			trans	-148.5	148.1	159	-25.3	0	0	0	0	113.6
268	E	29.2	Very low	29.2	Very low	174 Å²	174	135.4 Å²	135.4	81%	0.813	75%	0.745	S	S	*	*			trans	-124.5	-165.2	-178.9	-127.9	-169.5	-156.4	0	0	108.2
269	P	33.8	Very low	29.4	Very low	95 Å²	95	139 Å²	139	62%	0.617	75%	0.753	S	S	*	*			cis	-133.4	-140.6	-33.5	38.3	-17.9	0	0	0	111.1
270	S	30.5	Very low	29.6	Very low	102 Å²	102	138.3 Å²	138.3	71%	0.713	76%	0.76	S	S	*	*			trans	79.4	144.2	157.4	69.2	0	0	0	0	119.6
271	L	29.6	Very low	29.6	Very low	150 Å²	150	138.6 Å²	138.6	79%	0.785	76%	0.757	S	S	*	*			cis	-156.9	135	-16.2	-94.4	160	0	0	0	105.7
272	L	27.6	Very low	29.7	Very low	152 Å²	152	141.7 Å²	141.7	80%	0.796	76%	0.759	S	S	*	*				47.9	151.7	87.4	-78.2	-176.2	0	0	0	116.7
273	P	33.2	Very low	29.6	Very low	95 Å²	95	145.9 Å²	145.9	62%	0.617	77%	0.767	S	S	*	*			cis	-145.7	-171.6	-5.1	42.2	-22.7	0	0	0	117.7
274	F	27.4	Very low	29.6	Very low	197 Å²	197	141.1 Å²	141.1	86%	0.864	77%	0.767	S	S	*	*			trans	65.4	157.5	156.9	-82.3	-77.8	0	0	0	118.2
275	V	30.4	Very low	29.9	Very low	133 Å²	133	140.3 Å²	140.3	81%	0.806	76%	0.764	S	S	*	*			cis	-141.5	151	20.1	177.3	0	0	0	0	112.5
276	E	29.7	Very low	29.8	Very low	174 Å²	174	143.5 Å²	143.5	81%	0.813	77%	0.768	S	S	*	*			trans	-121.4	169.9	163.7	-131.7	-165.1	177.3	0	0	107.8
277	P	33.2	Very low	29.6	Very low	101 Å²	101	142.5 Å²	142.5	66%	0.656	76%	0.764	S	S	*	*			cis	-143.3	-147	1.3	34.7	-7.9	0	0	0	113.6
278	R	32.5	Very low	29.6	Very low	205 Å²	205	142.9 Å²	142.9	77%	0.774	76%	0.755	S	S	*	*			trans	99.3	118.3	150.4	-87.2	-174.9	152.5	141.1	3.9	123.6
279	E	30	Very low	29.5	Very low	165 Å²	165	142.8 Å²	142.8	77%	0.771	75%	0.753	S	S	*	*				49.5	121.5	122.2	-63	169.2	159.5	0	0	121.6
280	G	30.3	Very low	29.3	Very low	76 Å²	76	145.1 Å²	145.1	78%	0.784	75%	0.754	S	S	*	*			trans	142.3	94.3	166.8	0	0	0	0	0	112.5
281	E	28.5	Very low	29.4	Very low	157 Å²	157	148.2 Å²	148.2	73%	0.734	76%	0.757	S	S	*	*				67.9	123.9	86.4	-112.7	-167.7	-130.9	0	0	117.4
282	R	28.3	Very low	29.4	Very low	196 Å²	196	147.8 Å²	147.8	74%	0.74	76%	0.755	S	S	*	*			trans	86.4	120	154.8	-60.5	-176	-159.7	-135.8	-6.8	122.5
283	F	25.7	Very low	29.7	Very low	208 Å²	208	149.9 Å²	149.9	91%	0.912	76%	0.761	S	S	*	*			trans	37.6	128.7	135.4	-62.5	-82.7	0	0	0	122.3
284	G	25.4	Very low	29.6	Very low	72 Å²	72	152.9 Å²	152.9	74%	0.742	77%	0.767	S	S	*	*			trans	162.8	133.5	154.1	0	0	0	0	0	115
285	P	34.7	Very low	29.9	Very low	114 Å²	114	148.5 Å²	148.5	74%	0.74	76%	0.758	S	S	*	*			trans	-107.9	-155.1	173.2	41.6	-33	0	0	0	112.6
286	F	24.1	Very low	29.8	Very low	187 Å²	187	153.2 Å²	153.2	82%	0.82	76%	0.761	S	S	*	*			trans	77.5	138	-168.5	-61.7	-92.4	0	0	0	113.3
287	S	28.2	Very low	29.6	Very low	92 Å²	92	150.4 Å²	150.4	64%	0.643	76%	0.761	S	S	*	*			cis	113.8	147.4	13.2	-71.9	0	0	0	0	111.9
288	E	29.3	Very low	29.4	Very low	155 Å²	155	151.3 Å²	151.3	72%	0.724	77%	0.769	S	S	*	*			trans	65.8	145	-179.2	-66.9	154.3	-154.1	0	0	113.1	F290	E288-F290 HydrophobicContact CG-CE2 4.39Å
289	F	27.6	Very low	29	Very low	173 Å²	173	151.1 Å²	151.1	76%	0.759	77%	0.774	S	S	*	*				-140.3	140.5	51.3	-87.2	-103.7	0	0	0	110.5
290	F	28.2	Very low	28.8	Very low	144 Å²	144	148.2 Å²	148.2	63%	0.632	78%	0.779	S	S	*	*				60.2	145.2	90.7	-66.9	-76.9	0	0	0	114.2	E288	E288-F290 HydrophobicContact CG-CE2 4.39Å
291	E	34.1	Very low	28.4	Very low	167 Å²	167	148.2 Å²	148.2	78%	0.78	78%	0.778	S	S	*	*			cis	-153.3	-179.7	22.3	-142	145.8	-120.8	0	0	113.3
292	D	29.5	Very low	28.3	Very low	141 Å²	141	149.1 Å²	149.1	75%	0.754	79%	0.787	S	S	*	*			trans	-80	168.8	-164.9	-56.1	-92.4	0	0	0	118.4
293	E	33.1	Very low	28.2	Very low	196 Å²	196	145.8 Å²	145.8	92%	0.916	79%	0.789	S	S	*	*				-160.8	153.2	118.7	-118.1	-171.8	175	0	0	115.5
294	E	30.9	Very low	28.1	Very low	157 Å²	157	142.8 Å²	142.8	73%	0.734	79%	0.788	S	S	*	*			trans	-54.7	169.4	-158.6	-80.5	-150.2	129.2	0	0	123.7	R296	E294-R296 IonicContact OE2-NH2 3.98Å
295	P	34.1	Very low	28	Very low	105 Å²	105	143.2 Å²	143.2	68%	0.682	78%	0.784	S	S	*	*			trans	-100.1	172.8	175.2	41.1	-36.5	0	0	0	115
296	R	28.6	Very low	27.4	Very low	232 Å²	232	144.5 Å²	144.5	88%	0.875	79%	0.785	S	S	*	*			trans	-157.5	163	155.3	-111.6	153.5	-134.7	-147.4	3.9	113.6	E294	E294-R296 IonicContact OE2-NH2 3.98Å
297	S	24.8	Very low	27.5	Very low	115 Å²	115	146 Å²	146	80%	0.804	79%	0.791	S	S	*	*			trans	-131.8	152.6	-155.4	59.9	0	0	0	0	115.7
298	S	29	Very low	27.3	Very low	120 Å²	120	144.9 Å²	144.9	84%	0.839	79%	0.788	S	S	*	*			trans	-167.4	161.7	145.5	56.4	0	0	0	0	110.4
299	K	24.7	Very low	27	Very low	202 Å²	202	145 Å²	145	88%	0.878	79%	0.793	S	S	*	*				-177.3	150.2	-50.5	-145.1	179.3	-178.6	-179.9	0	105.3
300	A	25.4	Very low	26.8	Very low	104 Å²	104	146 Å²	146	86%	0.86	80%	0.803	S	S	*	*			trans	66.8	129.6	-178.6	0	0	0	0	0	115.6
301	G	22.7	Very low	26.8	Very low	75 Å²	75	147.3 Å²	147.3	77%	0.773	81%	0.811	S	S	*	*			cis	116.6	129.4	-15.5	0	0	0	0	0	115.6
302	L	24.9	Very low	26.5	Very low	176 Å²	176	143.7 Å²	143.7	92%	0.921	80%	0.802	S	S	*	*			trans	-159.4	141.2	163	-111.1	164.6	0	0	0	108.7
303	T	26.3	Very low	26.2	Very low	126 Å²	126	143.9 Å²	143.9	77%	0.773	80%	0.803	S	S	*	*			trans	-139	133.9	-172.6	49.9	0	0	0	0	111.6
304	T	24.3	Very low	25.8	Very low	146 Å²	146	139.4 Å²	139.4	90%	0.896	80%	0.799	S	S	*	*			trans	-173.5	153.7	162.9	29.2	0	0	0	0	109
305	A	22.7	Very low	25.6	Very low	80 Å²	80	140.5 Å²	140.5	66%	0.661	80%	0.804	S	S	*	*			cis	-163.9	150.2	-27.5	0	0	0	0	0	110.7
306	N	23	Very low	25.3	Very low	142 Å²	142	141.4 Å²	141.4	76%	0.759	81%	0.808	S	S	*	*			trans	20.5	109.8	150.8	-56.9	-7.3	0	0	0	121.1	A308	N306-A308 HydrophobicContact CB-CB 4.42Å
307	F	26.6	Very low	25	Very low	218 Å²	218	137.5 Å²	137.5	96%	0.956	80%	0.804	S	S	*	*				-142.8	101	124.5	-83.8	-79.6	0	0	0	106
308	A	22.6	Very low	25	Very low	69 Å²	69	136.8 Å²	136.8	57%	0.57	80%	0.799	S	S	*	*			cis	82.8	102.3	34.2	0	0	0	0	0	114.4	N306	N306-A308 HydrophobicContact CB-CB 4.42Å
309	N	22.9	Very low	24.7	Very low	157 Å²	157	136.1 Å²	136.1	84%	0.84	80%	0.795	S	S	*	*			trans	42.1	115.8	149.6	-53.6	-11.3	0	0	0	120
310	M	24.2	Very low	24.8	Very low	193 Å²	193	134.8 Å²	134.8	95%	0.951	79%	0.791	S	S	*	*				-163.6	118.6	116.9	-105.2	179.6	-145.2	0	0	112.8
311	Q	28.7	Very low	24.7	Very low	173 Å²	173	135.6 Å²	135.6	81%	0.808	79%	0.785	S	S	*	*			trans	-77.6	171.8	142.5	-112.9	-172.5	-64.9	0	0	107.8
312	P	27.8	Very low	24.9	Very low	90 Å²	90	140.6 Å²	140.6	58%	0.584	79%	0.786	S	S	*	*			cis	-141.8	-165.2	16.6	46.3	-27.4	0	0	0	115.6
313	D	23.4	Very low	24.9	Very low	146 Å²	146	138 Å²	138	78%	0.781	77%	0.773	S	S	*	*			trans	46.5	112	146.4	-51.8	-26.7	0	0	0	122.1
314	A	25	Very low	24.8	Very low	102 Å²	102	136.2 Å²	136.2	84%	0.843	77%	0.766	S	S	*	*				-153.5	147	128.9	0	0	0	0	0	112
315	E	26.8	Very low	24.8	Very low	179 Å²	179	137.7 Å²	137.7	84%	0.836	76%	0.763	S	S	*	*			trans	-69.9	170.7	-174.9	-57.1	158	147.9	0	0	111.9
316	T	26.6	Very low	24.8	Very low	124 Å²	124	139.1 Å²	139.1	76%	0.761	77%	0.774	S	S	*	*			cis	-149.3	122.1	25.3	-46.2	0	0	0	0	114.1
317	L	23.1	Very low	24.9	Very low	150 Å²	150	136.1 Å²	136.1	79%	0.785	78%	0.777	S	S	*	*			trans	3.8	120.3	136.3	-78.8	156.9	0	0	0	120.3
318	S	23.3	Very low	24.7	Very low	100 Å²	100	134.8 Å²	134.8	70%	0.699	77%	0.774	S	S	*	*				41.9	129.6	126.8	68.7	0	0	0	0	122.1
319	S	24.5	Very low	24.8	Very low	107 Å²	107	137.4 Å²	137.4	75%	0.748	79%	0.785	S	S	*	*				-164.8	145.9	129.1	32.6	0	0	0	0	113.3
320	Q	25.7	Very low	24.7	Very low	173 Å²	173	138.3 Å²	138.3	81%	0.808	78%	0.784	S	S	*	*			trans	60.8	112.6	162.8	-62.6	167.9	44.8	0	0	116.5
321	V	22.8	Very low	24.6	Very low	122 Å²	122	135.8 Å²	135.8	74%	0.739	78%	0.78	S	S	*	*			cis	69.3	141.7	34.8	-166	0	0	0	0	113.2
322	F	26.9	Very low	24.3	Very low	180 Å²	180	134.2 Å²	134.2	79%	0.789	78%	0.776	S	S	*	*			trans	94.7	133.2	-177.1	-72	-98.9	0	0	0	116.3
323	N	24.9	Very low	24	Very low	120 Å²	120	135.8 Å²	135.8	64%	0.642	78%	0.779	S	S	*	*			cis	-171.3	164.4	-33.5	-120.9	-30.8	0	0	0	110.4
324	S	24.1	Very low	23.9	Very low	89 Å²	89	134.4 Å²	134.4	62%	0.622	78%	0.776	S	S	*	*			trans	68.2	116.1	152.1	-61.4	0	0	0	0	122.2
325	Q	24.2	Very low	23.8	Very low	178 Å²	178	135.6 Å²	135.6	83%	0.832	77%	0.773	S	S	*	*				74.4	99.3	125.9	-65.6	175.2	-29.1	0	0	121.1
326	A	23.7	Very low	23.5	Very low	109 Å²	109	131 Å²	131	90%	0.901	77%	0.765	S	S	*	*				38.8	109.9	117.7	0	0	0	0	0	119.5
327	G	24.1	Very low	23.4	Very low	80 Å²	80	128.6 Å²	128.6	83%	0.825	77%	0.765	S	S	*	*			trans	-151.4	148.6	162	0	0	0	0	0	110.6
328	E	23.8	Very low	23.4	Very low	190 Å²	190	129.4 Å²	129.4	89%	0.888	77%	0.769	S	S	*	*			trans	-84.6	165.2	178.6	-84.5	-173.5	149	0	0	112.1
329	P	23.5	Very low	23.4	Very low	124 Å²	124	134 Å²	134	81%	0.805	78%	0.78	S	S	*	*			trans	-83.1	131.5	-161.1	31.2	-35.3	0	0	0	114.6
330	E	22.2	Very low	23.3	Very low	176 Å²	176	132.6 Å²	132.6	82%	0.822	78%	0.782	S	S	*	*			trans	-98.2	109.8	165.4	-73.6	-167.4	129.5	0	0	111.6	I332	E330-I332 HydrophobicContact CB-CG1 4.49Å; E330-I332 PolarHBondContact O-N 3.34Å
331	T	21.9	Very low	23.2	Very low	140 Å²	140	132 Å²	132	86%	0.859	78%	0.783	S	S	*	*			trans	-82.1	104.1	158.8	48.6	0	0	0	0	109	D333	T331-D333 PolarHBondContact O-N 2.88Å
332	I	22.8	Very low	23.2	Very low	140 Å²	140	134.9 Å²	134.9	72%	0.718	79%	0.788	S	S	*	*			trans	-80.5	117.3	176.9	-59.6	177.4	0	0	0	109.4	E330 V334	E330-I332 HydrophobicContact CB-CG1 4.49Å; E330-I332 PolarHBondContact O-N 3.34Å; I332-V334 HydrophobicContact CG2-CG2 4.14Å
333	D	20.9	Very low	22.9	Very low	122 Å²	122	132.5 Å²	132.5	65%	0.652	79%	0.788	S	S	*	*			trans	-80.8	137.8	170.9	-167.7	-12.2	0	0	0	110.1	T331 T335	T331-D333 PolarHBondContact O-N 2.88Å; D333-T335 PolarHBondContact OD1-N 2.95Å; D333-T335 PolarHBondContact OD1-OG1 3.45Å
334	V	21.9	Very low	22.9	Very low	117 Å²	117	132.4 Å²	132.4	71%	0.709	79%	0.794	S	S	*	*			trans	-131.4	42.3	177.1	-160.5	0	0	0	0	110.8	I332 A336	I332-V334 HydrophobicContact CG2-CG2 4.14Å; V334-A336 PolarHBondContact O-N 3.32Å
335	T	21.4	Very low	22.8	Very low	128 Å²	128	137.9 Å²	137.9	79%	0.785	80%	0.802	S	S	*	*			trans	-73.8	60.8	157.8	56.8	0	0	0	0	111.5	D333	D333-T335 PolarHBondContact OD1-N 2.95Å; D333-T335 PolarHBondContact OD1-OG1 3.45Å
336	A	22.3	Very low	22.7	Very low	81 Å²	81	135.7 Å²	135.7	67%	0.669	80%	0.796	S	S	*	*			trans	-150.8	132.5	176.6	0	0	0	0	0	112	V334	V334-A336 PolarHBondContact O-N 3.32Å
337	G	23.3	Very low	22.6	Very low	74 Å²	74	139.2 Å²	139.2	76%	0.763	79%	0.794	S	S	*	*	S	Bend	trans	91.1	66.8	164.3	0	0	0	0	0	117
338	L	24.2	Very low	22.6	Very low	168 Å²	168	139.2 Å²	139.2	88%	0.88	78%	0.781	S	S	*	*			trans	-160	53.5	141.3	-110.2	171.2	0	0	0	111
339	E	22.3	Very low	22.5	Very low	197 Å²	197	140.5 Å²	140.5	92%	0.921	78%	0.78	S	S	*	*			trans	-72.3	139	168.5	-63.7	-176.6	122	0	0	110.5
340	G	23.4	Very low	22.4	Very low	76 Å²	76	138.8 Å²	138.8	78%	0.784	77%	0.77	S	S	*	*			trans	90.5	63.1	155.4	0	0	0	0	0	118.6
341	I	23.6	Very low	22.5	Very low	162 Å²	162	135.4 Å²	135.4	83%	0.831	76%	0.762	S	S	*	*			trans	-124.8	131.5	148.2	-58.5	-178.1	0	0	0	108.2
342	Q	21.8	Very low	22.5	Very low	181 Å²	181	136 Å²	136	85%	0.846	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-93.2	150.2	-173.8	-68.2	180	-17.2	0	0	112.6
343	V	20.1	Very low	22.5	Very low	130 Å²	130	134.4 Å²	134.4	79%	0.788	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-100.3	118.2	164.6	178.8	0	0	0	0	108.7
344	P	25.7	Very low	22.4	Very low	119 Å²	119	133.6 Å²	133.6	77%	0.773	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-77.6	148.5	168.6	-11.9	29.1	0	0	0	111.6
345	Y	21	Very low	22.3	Very low	203 Å²	203	134.2 Å²	134.2	80%	0.796	77%	0.769	S	S	*	*			trans	-115.2	161.4	176.4	-123.2	-101.1	0	0	0	110.8
346	D	21.9	Very low	22.3	Very low	133 Å²	133	133.1 Å²	133.1	71%	0.711	77%	0.767	S	S	*	*			trans	71.2	157.4	159.5	-73.8	-36.2	0	0	0	121.8
347	Q	23.5	Very low	22.2	Very low	183 Å²	183	136.8 Å²	136.8	86%	0.855	77%	0.774	S	S	*	*			trans	80	137.2	168.1	-48.8	-175.9	26.9	0	0	117.2
348	S	22.6	Very low	22.1	Very low	79 Å²	79	140.8 Å²	140.8	55%	0.552	78%	0.777	S	S	*	*			cis	-175.7	154	-18.8	49.1	0	0	0	0	110.8
349	Y	22.2	Very low	22.1	Very low	217 Å²	217	136.7 Å²	136.7	85%	0.851	76%	0.762	S	S	*	*			trans	66.1	159.8	169.8	-52.1	-76.8	0	0	0	117.4
350	S	22.5	Very low	22.1	Very low	88 Å²	88	134.5 Å²	134.5	62%	0.615	75%	0.751	S	S	*	*			cis	-167.1	172.1	-36.9	62.3	0	0	0	0	111
351	T	22.8	Very low	22	Very low	105 Å²	105	136.5 Å²	136.5	64%	0.644	74%	0.744	S	S	*	*			trans	60.6	98	151.6	46.8	0	0	0	0	120.2
352	N	21.9	Very low	21.9	Very low	152 Å²	152	135 Å²	135	81%	0.813	73%	0.734	S	S	*	*			trans	75.3	146.7	133.1	-54.4	-2.9	0	0	0	120.2
353	S	22.5	Very low	21.9	Very low	107 Å²	107	133.9 Å²	133.9	75%	0.748	73%	0.733	S	S	*	*			cis	-166.5	43	-24.1	56.9	0	0	0	0	112.4
354	S	20.4	Very low	21.9	Very low	105 Å²	105	135 Å²	135	73%	0.734	73%	0.727	S	S	*	*			trans	-164.8	133.2	179.6	53.6	0	0	0	0	114.4
355	V	19.1	Very low	21.7	Very low	131 Å²	131	136.2 Å²	136.2	79%	0.794	73%	0.732	S	S	*	*			trans	67.5	136.4	150.4	174.8	0	0	0	0	119.3
356	S	20.6	Very low	21.6	Very low	105 Å²	105	132.6 Å²	132.6	73%	0.734	73%	0.731	S	S	*	*			trans	72.6	179.7	158	76.4	0	0	0	0	120
357	L	20.6	Very low	21.5	Very low	157 Å²	157	131.2 Å²	131.2	82%	0.822	73%	0.732	S	S	*	*			trans	76.2	73.8	173	-62	170.4	0	0	0	118.1
358	I	21.8	Very low	21.4	Very low	159 Å²	159	129.2 Å²	129.2	82%	0.815	73%	0.727	S	S	*	*				-12.8	132.1	121.3	-52.8	159.1	0	0	0	112.7
359	S	23	Very low	21.4	Very low	81 Å²	81	131.5 Å²	131.5	57%	0.566	74%	0.738	S	S	*	*				170.5	168.2	103	70.4	0	0	0	0	115.5
360	Q	22.9	Very low	21.3	Very low	151 Å²	151	125.2 Å²	125.2	71%	0.706	73%	0.73	S	S	*	*			trans	74.4	117.8	147	-74.7	173.2	56.4	0	0	121.2
361	N	22.4	Very low	21.3	Very low	119 Å²	119	130.1 Å²	130.1	64%	0.636	74%	0.744	S	S	*	*				69.7	147.5	124.9	-60.1	-21.5	0	0	0	119.6
362	Q	21	Very low	21.2	Very low	129 Å²	129	129.6 Å²	129.6	60%	0.603	75%	0.75	S	S	*	*			cis	-165.6	149.4	-12.1	-114.1	169.9	34.9	0	0	107.3
363	L	20.6	Very low	21.2	Very low	158 Å²	158	128.3 Å²	128.3	83%	0.827	75%	0.75	S	S	*	*			trans	-160.6	89.2	152.7	-116.8	146.2	0	0	0	114.2
364	F	20.3	Very low	21.2	Very low	154 Å²	154	129.1 Å²	129.1	68%	0.675	75%	0.751	S	S	*	*			trans	25	113.8	148.5	-52.1	-79.4	0	0	0	120.1
365	V	21.3	Very low	21.3	Very low	144 Å²	144	131 Å²	131	87%	0.873	75%	0.752	S	S	*	*			trans	-102.7	112.8	146.6	176.9	0	0	0	0	107.6	S367	V365-S367 PolarHBondContact O-N 3.16Å
366	V	19.7	Very low	21.3	Very low	127 Å²	127	131.7 Å²	131.7	77%	0.77	75%	0.751	S	S	*	*			trans	-80.4	108.2	174.8	178.5	0	0	0	0	109
367	S	20.4	Very low	21.2	Very low	104 Å²	104	134.8 Å²	134.8	73%	0.727	76%	0.758	S	S	*	*			trans	-80.4	132	169	57.7	0	0	0	0	110.7	V365	V365-S367 PolarHBondContact O-N 3.16Å
368	N	20.8	Very low	21.2	Very low	141 Å²	141	131.8 Å²	131.8	75%	0.754	75%	0.747	S	S	*	*			trans	-128.6	112.9	158	-112.7	-7.2	0	0	0	109.5
369	T	21.7	Very low	21.1	Very low	127 Å²	127	132.6 Å²	132.6	78%	0.779	75%	0.752	S	S	*	*			trans	45	132	138.9	59.9	0	0	0	0	119.8
370	A	21.2	Very low	21	Very low	85 Å²	85	135.3 Å²	135.3	70%	0.702	76%	0.755	S	S	*	*			cis	-155.3	168	17.7	0	0	0	0	0	114
371	Q	22.2	Very low	20.9	Very low	191 Å²	191	132.5 Å²	132.5	89%	0.893	75%	0.745	S	S	*	*			trans	60.9	103.3	158.3	-71	172.7	-15.7	0	0	118.5
372	A	20.9	Very low	20.8	Very low	95 Å²	95	131.8 Å²	131.8	79%	0.785	74%	0.741	S	S	*	*			trans	-96.7	162.1	140.1	0	0	0	0	0	108.8
373	P	22.6	Very low	20.9	Very low	124 Å²	124	131.4 Å²	131.4	81%	0.805	74%	0.743	S	S	*	*			trans	-128.3	152.7	131.1	35.6	-28.3	0	0	0	113.2
374	T	21.6	Very low	21	Very low	125 Å²	125	128.5 Å²	128.5	77%	0.767	72%	0.722	S	S	*	*			trans	-61.8	144.6	170.5	41.2	0	0	0	0	113.2
375	N	22.1	Very low	21.2	Very low	143 Å²	143	124.2 Å²	124.2	77%	0.765	71%	0.705	S	S	*	*				-154.4	147.1	126.9	-98.9	-25.7	0	0	0	110.1
376	L	18.8	Very low	21.3	Very low	147 Å²	147	121.4 Å²	121.4	77%	0.77	69%	0.685	S	S	*	*			trans	-136.4	126.9	-166.3	-149.2	176.9	0	0	0	108.3	V378	L376-V378 HydrophobicContact CD2-CG2 4.2Å
377	L	19.6	Very low	21.6	Very low	169 Å²	169	123.2 Å²	123.2	89%	0.885	69%	0.69	S	S	*	*			trans	-152.5	157	162.6	-136.7	111.6	0	0	0	111.5
378	V	19.9	Very low	21.8	Very low	95 Å²	95	122.7 Å²	122.7	58%	0.576	69%	0.686	S	S	*	*			trans	-125.2	145.6	-164.9	175	0	0	0	0	110.6	L376	L376-V378 HydrophobicContact CD2-CG2 4.2Å
379	L	19.8	Very low	22	Very low	176 Å²	176	123.2 Å²	123.2	92%	0.921	68%	0.684	S	S	*	*			trans	-136.1	100.3	162	-76.1	177.2	0	0	0	111.1
380	Q	20.4	Very low	22.3	Very low	137 Å²	137	125 Å²	125	64%	0.64	68%	0.681	S	S	*	*			trans	-95.1	165.3	159.7	-112.6	-179.8	-36.2	0	0	107.7
381	N	21.9	Very low	22.5	Very low	93 Å²	93	126.8 Å²	126.8	50%	0.497	68%	0.678	S	S	.	*			cis	-155.3	-144.9	-9.8	-161.4	-2.8	0	0	0	107.8	S213	S213-N381 PolarHBondContact O-ND2 2.68Å
382	L	20.8	Very low	22.7	Very low	104 Å²	104	127.2 Å²	127.2	55%	0.545	67%	0.674	S	S	.	*			trans	99.4	99	150	-51.9	176.9	0	0	0	118.3	Y384	L382-Y384 HydrophobicContact CD2-CE2 4.46Å
383	N	22.5	Very low	22.9	Very low	121 Å²	121	128.9 Å²	128.9	65%	0.647	67%	0.669	S	S	*	*				162.9	143.4	117.3	-84.8	12.7	0	0	0	113.7
384	Y	23.1	Very low	23.1	Very low	97 Å²	97	128.4 Å²	128.4	38%	0.38	66%	0.664	S	S	.	*			cis	-166.9	178.2	-15.2	-108.9	-163.8	0	0	0	112.1	M216 D217 L382	M216-Y384 HydrophobicContact CB-CD2 3.88Å; M216-Y384 HydrophobicContact CG-CD2 4.13Å; M216-Y384 WeakPolarHBondContact SD-CA 3.31Å; M216-Y384 PolarHBondContact SD-N 3.29Å; M216-Y384 VanDerWaalsContact SD-N 3.35Å; M216-Y384 VanDerWaalsContact SD-O 3.32Å; D217-Y384 HydrophobicContact CB-CD1 3.6Å; D217-Y384 HydrophobicContact CB-CE1 3.35Å; D217-Y384 HydrophobicContact CB-CG 4.26Å; D217-Y384 CarbonylContact O-C 3.56Å; D217-Y384 WeakPolarHBondContact O-CB 3.34Å; D217-Y384 WeakPolarHBondContact O-CD1 3.45Å; D217-Y384 VanDerWaalsContact OD2-CE1 3.24Å; D217-Y384 WeakPolarHBondContact OD2-CE1 3.47Å; D217-Y384 PolarHBondContact OD2-OH 2.93Å; L382-Y384 HydrophobicContact CD2-CE2 4.46Å
385	I	24	Very low	23.4	Very low	64 Å²	64	127.8 Å²	127.8	33%	0.328	66%	0.656	S	S	.	*			trans	-98	161.9	-133.6	-146.9	158.8	0	0	0	123.9	M216 D217 E218	M216-I385 HydrophobicContact CB-CB 3.34Å; M216-I385 HydrophobicContact CB-CD1 3.82Å; M216-I385 HydrophobicContact CB-CG1 3.58Å; M216-I385 HydrophobicContact CE-CG1 4.49Å; M216-I385 WeakPolarHBondContact O-CB 3.37Å; M216-I385 WeakPolarHBondContact O-CD1 3.44Å; D217-I385 VanDerWaalsContact CA-CG2 3.44Å; D217-I385 PolarHBondContact O-N 3.4Å; E218-I385 HydrophobicContact CB-CG2 4.48Å; E218-I385 HydrophobicContact CG-CG2 4.46Å
386	D	24.1	Very low	23.6	Very low	85 Å²	85	127.2 Å²	127.2	46%	0.455	65%	0.652	S	S	.	*			trans	107	138.1	132.5	-124.1	-20.9	0	0	0	121.3	S388	D386-S388 PolarHBondContact OD1-N 3.28Å; D386-S388 PolarHBondContact OD1-OG 3.12Å
387	L	25.4	Very low	24	Very low	165 Å²	165	127 Å²	127	86%	0.864	65%	0.647	S	S	*	*				-170.9	82.4	104.8	-99.3	167.6	0	0	0	111.2
388	S	24	Very low	24.4	Very low	93 Å²	93	126.4 Å²	126.4	65%	0.65	64%	0.64	S	S	*	*			trans	-55.1	141.1	176.7	55.1	0	0	0	0	113.9	D386	D386-S388 PolarHBondContact OD1-N 3.28Å; D386-S388 PolarHBondContact OD1-OG 3.12Å
389	Q	25.1	Very low	24.7	Very low	152 Å²	152	126 Å²	126	71%	0.71	65%	0.647	S	S	*	*			trans	-137	117.3	160.3	-82.7	-158.1	29.3	0	0	112.4
390	K	28.1	Very low	25.2	Very low	164 Å²	164	123.2 Å²	123.2	71%	0.713	64%	0.639	S	S	*	*			trans	73.6	95.9	154.8	-60.6	157.5	-179.2	145.5	0	116
391	N	24.8	Very low	26.1	Very low	122 Å²	122	122 Å²	122	65%	0.652	64%	0.643	S	S	*	*				87.4	132.6	75.8	-82.9	13.6	0	0	0	114.4
392	Y	27.1	Very low	26.8	Very low	201 Å²	201	122.1 Å²	122.1	79%	0.788	65%	0.649	S	S	*	*			trans	84.7	107.5	162.8	-51.5	-56.1	0	0	0	115.9
393	N	25.2	Very low	27.4	Very low	130 Å²	130	124.7 Å²	124.7	70%	0.695	66%	0.658	S	S	*	*			cis	91.4	150	35.6	-170.3	47.9	0	0	0	113.3
394	V	26.8	Very low	28	Very low	114 Å²	114	125.9 Å²	125.9	69%	0.691	66%	0.664	S	S	*	*			trans	80.8	122.2	175.2	-171.9	0	0	0	0	114.7
395	D	27.6	Very low	28.3	Very low	111 Å²	111	125.7 Å²	125.7	59%	0.594	68%	0.683	S	S	*	*			cis	-173.4	153.7	-18.6	-113.7	-34	0	0	0	111.2
396	L	26.8	Very low	28.8	Very low	132 Å²	132	128.2 Å²	128.2	69%	0.691	70%	0.703	S	S	*	*			trans	61.5	155.4	144.4	-60.5	166.4	0	0	0	119.2
397	Q	26.2	Very low	29.4	Very low	141 Å²	141	128.5 Å²	128.5	66%	0.659	71%	0.71	S	S	*	*			cis	-151.5	144.3	7.7	-148.4	147.3	-6.5	0	0	113.9
398	E	28.5	Very low	29.6	Very low	157 Å²	157	129.5 Å²	129.5	73%	0.734	71%	0.71	S	S	*	*			trans	19.2	156.4	144.1	-54.2	176.7	98.5	0	0	122.3
399	A	25.8	Very low	29.7	Very low	88 Å²	88	129.4 Å²	129.4	73%	0.727	72%	0.715	S	S	*	*			cis	-151.2	164.2	17.5	0	0	0	0	0	114.1
400	P	31.3	Very low	29.7	Very low	117 Å²	117	127.9 Å²	127.9	76%	0.76	72%	0.716	S	S	*	*			trans	-113.7	-120.8	-176.6	29.8	-8.2	0	0	0	114.1
401	P	39.7	Very low	29.6	Very low	110 Å²	110	126.6 Å²	126.6	71%	0.714	72%	0.715	S	S	*	*				-107	-121.7	-96.9	28.5	-7.4	0	0	0	111.1
402	P	36.9	Very low	29.6	Very low	96 Å²	96	125.9 Å²	125.9	62%	0.623	72%	0.715	S	S	*	*			cis	-137.7	-159.6	-26.6	26.6	0.4	0	0	0	115.2
403	Q	32.6	Very low	29.5	Very low	159 Å²	159	124.6 Å²	124.6	74%	0.743	72%	0.717	S	S	*	*			trans	91.9	139.8	153.8	-64.9	-178	-78.1	0	0	118.6
404	D	35.1	Very low	29.5	Very low	146 Å²	146	121.8 Å²	121.8	78%	0.781	71%	0.711	S	S	*	*			cis	-139.5	172.7	3.2	-100.8	-35.8	0	0	0	112.2
405	A	29.4	Very low	29.5	Very low	92 Å²	92	122.6 Å²	122.6	76%	0.76	71%	0.712	S	S	*	*			trans	-129.1	-112.1	-164.9	0	0	0	0	0	120
406	P	35.5	Very low	29.4	Very low	118 Å²	118	123.5 Å²	123.5	77%	0.766	72%	0.717	S	S	*	*				-122.5	-156.9	-123.9	40.2	-21	0	0	0	113.3
407	P	36.6	Very low	29.2	Very low	91 Å²	91	123.6 Å²	123.6	59%	0.591	73%	0.727	S	S	*	*			cis	-145.5	-173.2	0.3	46.7	-27.7	0	0	0	118.7
408	Q	28.1	Very low	29.2	Very low	186 Å²	186	122.2 Å²	122.2	87%	0.869	73%	0.733	S	S	*	*			trans	74.1	159	150.2	-71.7	148	21.6	0	0	119.6
409	A	25.8	Very low	28.9	Very low	91 Å²	91	122.3 Å²	122.3	75%	0.752	73%	0.731	S	S	*	*			cis	-154.4	-173.7	17.8	0	0	0	0	0	111
410	V	26	Very low	28.9	Very low	120 Å²	120	123.6 Å²	123.6	73%	0.727	73%	0.725	S	S	*	*			cis	-164.2	144.8	-2.5	106.8	0	0	0	0	111.8
411	I	25.6	Very low	29.1	Very low	137 Å²	137	123.6 Å²	123.6	70%	0.703	73%	0.725	S	S	*	*			trans	16.5	145.9	143	-25.6	162.9	0	0	0	120.1
412	T	25.7	Very low	28.5	Very low	106 Å²	106	123.5 Å²	123.5	65%	0.65	73%	0.725	S	S	*	*				-177.6	131	58.1	-32	0	0	0	0	116
413	Q	25.2	Very low	27.8	Very low	175 Å²	175	125 Å²	125	82%	0.818	73%	0.733	S	S	*	*			trans	50.6	158.5	133.7	-76.5	174.6	-7.1	0	0	124.1
414	A	25.3	Very low	27.4	Very low	71 Å²	71	125.1 Å²	125.1	59%	0.587	74%	0.737	S	S	*	*			cis	-168.2	147.8	-2	0	0	0	0	0	114.7
415	N	25.9	Very low	26.8	Very low	131 Å²	131	123.2 Å²	123.2	70%	0.701	74%	0.735	S	S	*	*				53.6	155.5	127.4	-55.5	50.4	0	0	0	121.7
416	D	25.1	Very low	26.5	Very low	130 Å²	130	128.1 Å²	128.1	70%	0.695	74%	0.742	S	S	*	*			cis	-171.8	179.3	-14.2	-101.2	-16.6	0	0	0	111.9
417	C	24	Very low	25.9	Very low	133 Å²	133	130.6 Å²	130.6	90%	0.899	75%	0.745	S	S	*	*			trans	107.4	132.3	147.9	-68.7	0	0	0	0	120
418	S	24.5	Very low	25.2	Very low	112 Å²	112	132.5 Å²	132.5	78%	0.783	76%	0.755	S	S	*	*			trans	-119	172.4	-176	54.4	0	0	0	0	112.2
419	F	23.6	Very low	25	Very low	159 Å²	159	129.7 Å²	129.7	70%	0.697	75%	0.751	S	S	*	*			trans	-158.3	160	156.8	-133.7	-91.2	0	0	0	114.6	S225	S225-F419 WeakPolarHBondContact O-CZ 3.45Å
420	D	25.3	Very low	24.9	Very low	115 Å²	115	134.1 Å²	134.1	62%	0.615	75%	0.753	S	S	*	*			trans	-85.1	158.2	-164.7	-73.6	-60.7	0	0	0	118
421	P	34.8	Very low	24.8	Very low	117 Å²	117	134.7 Å²	134.7	76%	0.76	76%	0.759	S	S	*	*			trans	-86.9	136.5	164.5	35.1	-32.1	0	0	0	112.6
422	P	26.8	Very low	24.9	Very low	109 Å²	109	134.6 Å²	134.6	71%	0.708	75%	0.753	S	S	*	*				-152.7	-177.3	115.9	38.6	-21.5	0	0	0	115.4
423	T	23	Very low	24.9	Very low	127 Å²	127	135.7 Å²	135.7	78%	0.779	76%	0.76	S	S	*	*			trans	60.3	105	160.2	46	0	0	0	0	119.8
424	L	23.8	Very low	25	Very low	161 Å²	161	131.8 Å²	131.8	84%	0.843	74%	0.744	S	S	*	*			trans	-166.3	89.5	142.6	-101.7	158.3	0	0	0	107.3
425	C	22.6	Very low	25.1	Very low	107 Å²	107	135.7 Å²	135.7	72%	0.723	75%	0.748	S	S	*	*				90.2	145.7	91.9	-76.1	0	0	0	0	114.4	M427	C425-M427 PolarHBondContact O-N 2.99Å
426	E	23	Very low	25.2	Very low	194 Å²	194	138.2 Å²	138.2	91%	0.907	75%	0.753	S	S	*	*			trans	-75.9	83.7	-169.6	-64.3	171.8	109.3	0	0	112.8	T428	E426-T428 PolarHBondContact O-N 2.96Å
427	M	22.4	Very low	25.5	Very low	170 Å²	170	140.4 Å²	140.4	84%	0.837	76%	0.756	S	S	*	*			trans	-81.3	104.7	168.2	-71.9	-162.3	172.9	0	0	111.1	C425 V429	C425-M427 PolarHBondContact O-N 2.99Å; M427-V429 VanDerWaalsContact C-N 3.3Å; M427-V429 PolarHBondContact O-N 3Å
428	T	22	Very low	25.9	Very low	132 Å²	132	137.1 Å²	137.1	81%	0.81	73%	0.727	S	S	*	*			trans	-69.4	81.4	173.1	54.8	0	0	0	0	111.1	E426 K430	E426-T428 PolarHBondContact O-N 2.96Å; T428-K430 PolarHBondContact O-N 3.07Å
429	V	24.4	Very low	26.1	Very low	127 Å²	127	135.3 Å²	135.3	77%	0.77	71%	0.708	S	S	*	*			trans	-68.3	96.3	176.6	-176.2	0	0	0	0	109.6	M427	M427-V429 VanDerWaalsContact C-N 3.3Å; M427-V429 PolarHBondContact O-N 3Å
430	K	23.7	Very low	26.3	Very low	184 Å²	184	129.5 Å²	129.5	80%	0.8	69%	0.69	S	S	*	*			trans	-53.9	130.1	164.1	-71.8	-176.4	178.5	178.1	0	107.9	T428 K432	T428-K430 PolarHBondContact O-N 3.07Å; K430-K432 VanDerWaalsContact C-N 3.32Å; K430-K432 PolarHBondContact O-N 3.33Å
431	P	24.4	Very low	26.4	Very low	131 Å²	131	131.2 Å²	131.2	85%	0.851	69%	0.692	S	S	*	*			trans	-68.4	88	-176.5	26.8	-34.5	0	0	0	110.7	V433	P431-V433 PolarHBondContact O-N 2.87Å
432	K	26.5	Very low	26	Very low	135 Å²	135	133.6 Å²	133.6	59%	0.587	69%	0.69	S	S	*	*			trans	-72.7	120	175.4	-175.8	-178.3	173	-169.6	0	108.6	K430 L434 E438	K430-K432 VanDerWaalsContact C-N 3.32Å; K430-K432 PolarHBondContact O-N 3.33Å; K432-L434 VanDerWaalsContact C-N 3.29Å; K432-L434 HydrophobicContact CD-CD2 4.07Å; K432-L434 HydrophobicContact CG-CD2 4.44Å; K432-L434 PolarHBondContact O-N 3.39Å; K432-E438 WeakPolarHBondContact CE-OE1 3.31Å; K432-E438 IonicContact NZ-OE1 2.67Å; K432-E438 PolarHBondContact NZ-OE1 2.89Å
433	V	25.9	Very low	26	Very low	130 Å²	130	135 Å²	135	79%	0.788	69%	0.691	S	S	*	*			trans	-66.6	91.4	167.9	-179.2	0	0	0	0	108.3	P431 K435	P431-V433 PolarHBondContact O-N 2.87Å; V433-K435 PolarHBondContact O-N 3.28Å
434	L	27	Very low	26.2	Very low	93 Å²	93	136.8 Å²	136.8	49%	0.487	69%	0.69	S	S	.	*			trans	-65	118.3	174.9	-68.5	173.7	0	0	0	108.9	K432 E438 I439	K432-L434 VanDerWaalsContact C-N 3.29Å; K432-L434 HydrophobicContact CD-CD2 4.07Å; K432-L434 HydrophobicContact CG-CD2 4.44Å; K432-L434 PolarHBondContact O-N 3.39Å; L434-E438 HydrophobicContact CD2-CB 4.34Å; L434-I439 HydrophobicContact CB-CD1 4.13Å; L434-I439 HydrophobicContact CB-CG1 3.75Å; L434-I439 HydrophobicContact CD1-CG1 4.33Å
435	K	27.4	Very low	26.2	Very low	153 Å²	153	135.8 Å²	135.8	67%	0.665	69%	0.685	S	S	*	*			trans	-68.5	149.9	172.8	-64.9	177.5	-178.8	177	0	108.4	V433 K437 E438 I439	V433-K435 PolarHBondContact O-N 3.28Å; K435-K437 PolarHBondContact O-N 2.95Å; K435-E438 HydrophobicContact CB-CG 4.41Å; K435-E438 PolarHBondContact N-OE2 3.02Å; K435-E438 WeakPolarHBondContact O-CA 3.48Å; K435-E438 WeakPolarHBondContact O-CB 3.37Å; K435-E438 PolarHBondContact O-N 2.69Å; K435-I439 PolarHBondContact O-N 3.29Å
436	F	28.9	Very low	26.3	Very low	183 Å²	183	134.2 Å²	134.2	80%	0.803	68%	0.68	S	S	*	*	H	α-helix	trans	-50.3	-35.3	179.7	-165.7	-94.7	0	0	0	112.9	E438 I439 A440	F436-E438 VanDerWaalsContact C-N 3.29Å; F436-E438 PolarHBondContact O-N 2.69Å; F436-I439 PolarHBondContact O-N 2.9Å; F436-A440 WeakPolarHBondContact O-CB 3.12Å; F436-A440 PolarHBondContact O-N 3.27Å
437	K	31.2	Very low	26.3	Very low	176 Å²	176	130.7 Å²	130.7	77%	0.765	67%	0.674	S	S	*	*	H	α-helix	trans	-71.6	-13.5	177.1	-150.6	172.4	-172.2	176.2	0	114.9	K435	K435-K437 PolarHBondContact O-N 2.95Å
438	E	31.8	Very low	26.6	Very low	64 Å²	64	130.1 Å²	130.1	30%	0.299	67%	0.673	S	S	.	*	H	α-helix	trans	-93.2	-40.4	171.8	-61.1	176.4	108.4	0	0	110.7	K432 L434 K435 F436 A440 K441 F442	K432-E438 WeakPolarHBondContact CE-OE1 3.31Å; K432-E438 IonicContact NZ-OE1 2.67Å; K432-E438 PolarHBondContact NZ-OE1 2.89Å; L434-E438 HydrophobicContact CD2-CB 4.34Å; K435-E438 HydrophobicContact CB-CG 4.41Å; K435-E438 PolarHBondContact N-OE2 3.02Å; K435-E438 WeakPolarHBondContact O-CA 3.48Å; K435-E438 WeakPolarHBondContact O-CB 3.37Å; K435-E438 PolarHBondContact O-N 2.69Å; F436-E438 VanDerWaalsContact C-N 3.29Å; F436-E438 PolarHBondContact O-N 2.69Å; E438-A440 VanDerWaalsContact C-N 3.31Å; E438-A440 PolarHBondContact O-N 2.75Å; E438-K441 WeakPolarHBondContact O-CB 3.45Å; E438-K441 PolarHBondContact O-N 3.37Å; E438-K441 VanDerWaalsContact O-N 3.08Å; E438-F442 PolarHBondContact O-N 2.98Å
439	I	30	Very low	26.7	Very low	75 Å²	75	127.8 Å²	127.8	39%	0.385	66%	0.655	S	S	.	*	H	α-helix	trans	-60.6	-42.8	173.4	-55.9	176	0	0	0	110.3	L434 K435 F436 K441 F442 L443	L434-I439 HydrophobicContact CB-CD1 4.13Å; L434-I439 HydrophobicContact CB-CG1 3.75Å; L434-I439 HydrophobicContact CD1-CG1 4.33Å; K435-I439 PolarHBondContact O-N 3.29Å; F436-I439 PolarHBondContact O-N 2.9Å; I439-K441 VanDerWaalsContact C-N 3.26Å; I439-K441 PolarHBondContact O-N 3.03Å; I439-F442 WeakPolarHBondContact O-CB 3.33Å; I439-F442 PolarHBondContact O-N 3.22Å; I439-L443 HydrophobicContact CG2-CD1 4.09Å; I439-L443 PolarHBondContact O-N 2.96Å
440	A	27.1	Very low	26.8	Very low	37 Å²	37	127.3 Å²	127.3	31%	0.306	65%	0.654	S	S	.	*	H	α-helix	trans	-61.2	-30.1	174.4	0	0	0	0	0	113.5	F436 E438 H444	F436-A440 WeakPolarHBondContact O-CB 3.12Å; F436-A440 PolarHBondContact O-N 3.27Å; E438-A440 VanDerWaalsContact C-N 3.31Å; E438-A440 PolarHBondContact O-N 2.75Å; A440-H444 WeakPolarHBondContact O-CB 3.13Å; A440-H444 PolarHBondContact O-CD2 3.24Å; A440-H444 PolarHBondContact O-N 3.47Å
441	K	28.1	Very low	26.8	Very low	151 Å²	151	127.2 Å²	127.2	66%	0.657	66%	0.657	S	S	*	*	H	α-helix	trans	-71.1	-31.5	172.8	-77.2	-174.5	172.1	-167	0	112.4	E438 I439 L445	E438-K441 WeakPolarHBondContact O-CB 3.45Å; E438-K441 PolarHBondContact O-N 3.37Å; E438-K441 VanDerWaalsContact O-N 3.08Å; I439-K441 VanDerWaalsContact C-N 3.26Å; I439-K441 PolarHBondContact O-N 3.03Å; K441-L445 WeakPolarHBondContact O-CD1 3.45Å; K441-L445 WeakPolarHBondContact O-CG 3.2Å
442	F	26.7	Very low	26.8	Very low	167 Å²	167	126.9 Å²	126.9	73%	0.732	65%	0.648	S	S	*	*	H	α-helix	trans	-72.7	-44.4	177.5	-123.3	-92.4	0	0	0	111.7	E438 I439 H444 L445	E438-F442 PolarHBondContact O-N 2.98Å; I439-F442 WeakPolarHBondContact O-CB 3.33Å; I439-F442 PolarHBondContact O-N 3.22Å; F442-H444 VanDerWaalsContact C-N 3.27Å; F442-H444 PolarHBondContact O-N 2.91Å; F442-L445 PolarHBondContact O-N 3.09Å
443	L	26.6	Very low	26.8	Very low	139 Å²	139	125.1 Å²	125.1	73%	0.728	65%	0.653	S	S	*	*	H	α-helix	trans	-73.1	-13.6	-179.5	-68.6	170.3	0	0	0	114.3	I439	I439-L443 HydrophobicContact CG2-CD1 4.09Å; I439-L443 PolarHBondContact O-N 2.96Å
444	H	27.3	Very low	26.5	Very low	164 Å²	164	129.9 Å²	129.9	76%	0.759	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	4.9	174.2	-77.9	-42.9	0	0	0	114.4	A440 F442	A440-H444 WeakPolarHBondContact O-CB 3.13Å; A440-H444 PolarHBondContact O-CD2 3.24Å; A440-H444 PolarHBondContact O-N 3.47Å; F442-H444 VanDerWaalsContact C-N 3.27Å; F442-H444 PolarHBondContact O-N 2.91Å
445	L	24.1	Very low	26.3	Very low	140 Å²	140	134 Å²	134	73%	0.733	67%	0.673	S	S	*	*	S	Bend	trans	-124.2	15.2	-171.3	-71.1	176.7	0	0	0	115.5	K441 F442 P447	K441-L445 WeakPolarHBondContact O-CD1 3.45Å; K441-L445 WeakPolarHBondContact O-CG 3.2Å; F442-L445 PolarHBondContact O-N 3.09Å; L445-P447 WeakPolarHBondContact O-CD 3.36Å
446	A	23.5	Very low	26.2	Very low	74 Å²	74	134.5 Å²	134.5	61%	0.612	68%	0.676	S	S	*	*			trans	-108.5	102.6	174.1	0	0	0	0	0	110.8
447	P	23.2	Very low	25.8	Very low	120 Å²	120	130.6 Å²	130.6	78%	0.779	68%	0.677	S	S	*	*			trans	-82.8	129.8	-175.5	-11.4	29.4	0	0	0	113.5	L445	L445-P447 WeakPolarHBondContact O-CD 3.36Å
448	I	28.8	Very low	25.5	Very low	158 Å²	158	132 Å²	132	81%	0.81	68%	0.678	S	S	*	*			trans	6.4	109	140.8	-49.5	170.1	0	0	0	116.4
449	D	25.1	Very low	25	Very low	82 Å²	82	136.4 Å²	136.4	44%	0.439	70%	0.703	S	S	.	*			trans	-144	115.3	136.6	-175.1	-5	0	0	0	108.6	Q451 N452	D449-Q451 PolarHBondContact O-N 2.85Å; D449-Q451 VanDerWaalsContact O-N 3.16Å; D449-Q451 PolarHBondContact OD1-N 3.12Å; D449-N452 HydrophobicContact CB-CB 4.38Å; D449-N452 PolarHBondContact OD2-ND2 3.12Å
450	P	26.5	Very low	24.6	Very low	117 Å²	117	144 Å²	144	76%	0.76	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-16.7	-171.9	-23.4	34.8	0	0	0	116
451	Q	23.5	Very low	24.4	Very low	183 Å²	183	146.7 Å²	146.7	86%	0.855	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.3	-11.2	-172.5	-67.4	-177.3	-15.9	0	0	114.7	D449	D449-Q451 PolarHBondContact O-N 2.85Å; D449-Q451 VanDerWaalsContact O-N 3.16Å; D449-Q451 PolarHBondContact OD1-N 3.12Å
452	N	23.8	Very low	24.1	Very low	123 Å²	123	146.1 Å²	146.1	66%	0.658	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.5	-2.8	-166.8	-86.4	-50.7	0	0	0	116.8	D449 R454	D449-N452 HydrophobicContact CB-CB 4.38Å; D449-N452 PolarHBondContact OD2-ND2 3.12Å; N452-R454 VanDerWaalsContact C-N 3.32Å; N452-R454 PolarHBondContact O-N 2.99Å
453	S	25.8	Very low	23.8	Very low	99 Å²	99	142.8 Å²	142.8	69%	0.692	74%	0.737	S	S	*	*			trans	-82.3	65.1	-173.4	44.5	0	0	0	0	115.4
454	R	21.1	Very low	23.8	Very low	229 Å²	229	141 Å²	141	86%	0.864	73%	0.732	S	S	*	*			trans	-66.5	171.9	140.8	-71.5	-178.8	173.5	179.2	-1.7	108.7	N452	N452-R454 VanDerWaalsContact C-N 3.32Å; N452-R454 PolarHBondContact O-N 2.99Å
455	E	22.3	Very low	23.7	Very low	180 Å²	180	138.8 Å²	138.8	84%	0.841	73%	0.732	S	S	*	*			trans	64.7	79.2	174.1	-54.9	-174.4	-171.3	0	0	119.1
456	F	24.2	Very low	23.8	Very low	163 Å²	163	137.9 Å²	137.9	72%	0.715	73%	0.728	S	S	*	*			trans	-137.5	83.3	147.1	-85.7	-89.1	0	0	0	110.9	W458	F456-W458 AromaticContact CD1-CD1 3.87Å; F456-W458 AromaticContact CD1-CE2 3.98Å; F456-W458 HydrophobicContact CD1-CZ2 4.36Å; F456-W458 AromaticContact CD1-NE1 3.22Å; F456-W458 HydrophobicContact CE1-CZ2 4.43Å; F456-W458 AromaticContact CG-NE1 3.9Å
457	A	22.2	Very low	24	Very low	101 Å²	101	139.9 Å²	139.9	84%	0.835	74%	0.738	S	S	*	*			trans	-96.1	94.8	179.2	0	0	0	0	0	113.2
458	W	24.2	Very low	24.2	Very low	205 Å²	205	142 Å²	142	78%	0.777	74%	0.743	S	S	*	*			trans	-127.6	50.4	-170.7	-58.1	78.2	0	0	0	113.9	F456	F456-W458 AromaticContact CD1-CD1 3.87Å; F456-W458 AromaticContact CD1-CE2 3.98Å; F456-W458 HydrophobicContact CD1-CZ2 4.36Å; F456-W458 AromaticContact CD1-NE1 3.22Å; F456-W458 HydrophobicContact CE1-CZ2 4.43Å; F456-W458 AromaticContact CG-NE1 3.9Å
459	L	20.5	Very low	24.3	Very low	157 Å²	157	138.3 Å²	138.3	82%	0.822	74%	0.743	S	S	*	*			trans	-121.7	104.3	170.2	-117.4	167.1	0	0	0	109.6	V461	L459-V461 HydrophobicContact CD2-CG2 4.37Å
460	R	23.1	Very low	24.5	Very low	235 Å²	235	137.7 Å²	137.7	89%	0.887	76%	0.756	S	S	*	*			trans	-129.9	111.2	166.9	-79.1	-166.1	177	-167.1	0.9	110.1
461	V	21.7	Very low	24.7	Very low	94 Å²	94	140.9 Å²	140.9	57%	0.57	76%	0.761	S	S	*	*			trans	-81.5	131.2	175.4	172.4	0	0	0	0	108.8	L459 F488	L459-V461 HydrophobicContact CD2-CG2 4.37Å; V461-F488 HydrophobicContact CG1-CD1 3.67Å; V461-F488 HydrophobicContact CG1-CE1 3.33Å; V461-F488 HydrophobicContact CG1-CZ 4.15Å
462	L	22.1	Very low	25	Very low	139 Å²	139	137.6 Å²	137.6	73%	0.728	75%	0.754	S	S	*	*			trans	-128.4	131.6	178.9	-70.1	176.6	0	0	0	111.1	F488	L462-F488 VanDerWaalsContact O-CD1 3.3Å; L462-F488 WeakPolarHBondContact O-CD1 3.31Å; L462-F488 VanDerWaalsContact O-CE1 3.26Å; L462-F488 WeakPolarHBondContact O-CE1 3.12Å
463	P	21.3	Very low	25.2	Very low	96 Å²	96	138 Å²	138	62%	0.623	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-74.3	144.7	-177.2	30.3	-34.8	0	0	0	112.3	F488	P463-F488 HydrophobicContact CB-CE1 4.01Å; P463-F488 HydrophobicContact CB-CZ 3.8Å
464	V	24.9	Very low	25.3	Very low	103 Å²	103	138.4 Å²	138.4	62%	0.624	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-96.9	119.3	173	-177.3	0	0	0	0	109
465	P	26.6	Very low	25.5	Very low	117 Å²	117	132.6 Å²	132.6	76%	0.76	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-75.9	151.3	177.2	31	-34.5	0	0	0	112.3
466	N	26	Very low	25.6	Very low	120 Å²	120	129 Å²	129	64%	0.642	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-88.7	135.4	169.6	-61.1	-66.2	0	0	0	110.9	A486	N466-A486 WeakPolarHBondContact ND2-CB 3.4Å
467	S	26.3	Very low	25.7	Very low	116 Å²	116	125.8 Å²	125.8	81%	0.811	76%	0.756	S	S	*	*			trans	-179.7	140.4	137.1	53.4	0	0	0	0	111.7
468	D	27.3	Very low	25.8	Very low	165 Å²	165	125.1 Å²	125.1	88%	0.882	75%	0.75	S	S	*	*			trans	-77.7	161.7	174.8	-44.4	-89.5	0	0	0	113
469	G	31.6	Very low	25.7	Very low	80 Å²	80	127 Å²	127	83%	0.825	76%	0.757	S	S	*	*			trans	154.2	114.9	159.3	0	0	0	0	0	118.3
470	G	29.1	Very low	25.8	Very low	69 Å²	69	125.6 Å²	125.6	71%	0.711	76%	0.759	S	S	*	*			trans	82.6	117.4	164.5	0	0	0	0	0	115.3
471	E	31.1	Very low	25.9	Very low	185 Å²	185	122.5 Å²	122.5	86%	0.864	76%	0.755	S	S	*	*				70.6	133.1	65.7	-71.1	-163.5	156.8	0	0	114
472	T	29.6	Very low	26	Very low	113 Å²	113	126 Å²	126	69%	0.693	77%	0.767	S	S	*	*			cis	-150.3	160.5	9	8.8	0	0	0	0	112.1
473	V	28.1	Very low	26.3	Very low	132 Å²	132	123.9 Å²	123.9	80%	0.8	76%	0.761	S	S	*	*			trans	46.4	129.5	145.5	175	0	0	0	0	119.3
474	S	27	Very low	26.4	Very low	107 Å²	107	128.5 Å²	128.5	75%	0.748	77%	0.772	S	S	*	*			cis	-170.1	175.7	-17.3	69.1	0	0	0	0	106.3
475	S	26.6	Very low	26.4	Very low	108 Å²	108	130.3 Å²	130.3	76%	0.755	77%	0.773	S	S	*	*			cis	-147.7	-178	2.2	70.2	0	0	0	0	107.2
476	S	24.9	Very low	26.2	Very low	103 Å²	103	127.6 Å²	127.6	72%	0.72	76%	0.76	S	S	*	*	S	Bend	cis	-144.3	170.3	6.4	55.8	0	0	0	0	109
477	A	25.9	Very low	26.1	Very low	97 Å²	97	128.5 Å²	128.5	80%	0.802	76%	0.759	S	S	*	*			trans	53.8	72.3	176.7	0	0	0	0	0	115.3
478	A	23.3	Very low	25.9	Very low	86 Å²	86	128.2 Å²	128.2	71%	0.711	74%	0.743	S	S	*	*				91.1	128.3	55.4	0	0	0	0	0	115.5
479	R	23.2	Very low	25.7	Very low	246 Å²	246	131.7 Å²	131.7	93%	0.928	74%	0.744	S	S	*	*			trans	72	144.6	170.6	-54.5	167.3	178	167	-1.6	114.7
480	C	22.8	Very low	25.3	Very low	126 Å²	126	132.9 Å²	132.9	85%	0.851	74%	0.735	S	S	*	*			cis	-148	165.2	5.7	-147	0	0	0	0	111.5
481	E	23.7	Very low	25	Very low	171 Å²	171	134.3 Å²	134.3	80%	0.799	73%	0.734	S	S	*	*			trans	-98.4	-171.3	-175.8	-58.4	169.1	122.4	0	0	113.4
482	M	25.2	Very low	24.7	Very low	168 Å²	168	130.8 Å²	130.8	83%	0.828	72%	0.72	S	S	*	*			trans	87.4	151.8	169.2	-61	-76.5	171.9	0	0	116.1
483	P	28	Very low	24.6	Very low	94 Å²	94	129 Å²	129	61%	0.61	71%	0.709	S	S	*	*				-142.3	-163.7	-88.8	37.8	-14.6	0	0	0	114.4
484	K	23.9	Very low	24.5	Very low	193 Å²	193	128.6 Å²	128.6	84%	0.839	70%	0.699	S	S	*	*			trans	57.8	85.4	157.5	-65.5	179.7	179.9	-179.7	0	118.4
485	E	24.9	Very low	24.5	Very low	141 Å²	141	128 Å²	128	66%	0.659	69%	0.686	S	S	*	*				-171.5	117.4	125.3	-104.9	-162.6	155.9	0	0	109.8	K487	E485-K487 VanDerWaalsContact CD-CE 3.5Å; E485-K487 PolarHBondContact O-N 3.27Å; E485-K487 WeakPolarHBondContact OE1-CE 3.05Å; E485-K487 IonicContact OE1-NZ 2.72Å; E485-K487 PolarHBondContact OE1-NZ 2.82Å; E485-K487 WeakPolarHBondContact OE2-CD 3.33Å; E485-K487 VanDerWaalsContact OE2-CE 3.28Å; E485-K487 WeakPolarHBondContact OE2-CE 3.28Å; E485-K487 IonicContact OE2-NZ 2.86Å; E485-K487 PolarHBondContact OE2-NZ 3.42Å
486	A	22.3	Very low	24.7	Very low	59 Å²	59	123.9 Å²	123.9	49%	0.488	66%	0.66	S	S	.	*			trans	-78.3	84.9	175.9	0	0	0	0	0	110.9	N466	N466-A486 WeakPolarHBondContact ND2-CB 3.4Å
487	K	23.7	Very low	25	Very low	139 Å²	139	122.7 Å²	122.7	60%	0.604	64%	0.643	S	S	*	*			trans	-122.5	132.3	173.5	-71.1	177.2	-176.4	160.8	0	110.3	E485 R489	E485-K487 VanDerWaalsContact CD-CE 3.5Å; E485-K487 PolarHBondContact O-N 3.27Å; E485-K487 WeakPolarHBondContact OE1-CE 3.05Å; E485-K487 IonicContact OE1-NZ 2.72Å; E485-K487 PolarHBondContact OE1-NZ 2.82Å; E485-K487 WeakPolarHBondContact OE2-CD 3.33Å; E485-K487 VanDerWaalsContact OE2-CE 3.28Å; E485-K487 WeakPolarHBondContact OE2-CE 3.28Å; E485-K487 IonicContact OE2-NZ 2.86Å; E485-K487 PolarHBondContact OE2-NZ 3.42Å; K487-R489 PolarHBondContact O-N 2.86Å
488	F	21.7	Very low	25.2	Very low	111 Å²	111	119.8 Å²	119.8	49%	0.487	61%	0.613	S	S	.	*			trans	-53.6	108.1	-172.7	-66.3	-112.6	0	0	0	111.3	V461 L462 P463 V490	V461-F488 HydrophobicContact CG1-CD1 3.67Å; V461-F488 HydrophobicContact CG1-CE1 3.33Å; V461-F488 HydrophobicContact CG1-CZ 4.15Å; L462-F488 VanDerWaalsContact O-CD1 3.3Å; L462-F488 WeakPolarHBondContact O-CD1 3.31Å; L462-F488 VanDerWaalsContact O-CE1 3.26Å; L462-F488 WeakPolarHBondContact O-CE1 3.12Å; P463-F488 HydrophobicContact CB-CE1 4.01Å; P463-F488 HydrophobicContact CB-CZ 3.8Å; F488-V490 PolarHBondContact O-N 3.23Å
489	R	22.6	Very low	25.7	Very low	237 Å²	237	120.7 Å²	120.7	89%	0.894	60%	0.604	S	S	*	*			trans	-76.6	73.7	163.6	-80.5	-168.1	173.5	-168.3	-0.1	110	K487 S491	K487-R489 PolarHBondContact O-N 2.86Å; R489-S491 PolarHBondContact O-N 3.32Å
490	V	23.6	Very low	26.2	Very low	105 Å²	105	113.5 Å²	113.5	64%	0.636	58%	0.579	S	S	*	*			trans	-64.4	96.5	147.5	179.5	0	0	0	0	105.1	F488 I492	F488-V490 PolarHBondContact O-N 3.23Å; V490-I492 HydrophobicContact CG1-CG1 4.15Å; V490-I492 PolarHBondContact O-N 3.3Å
491	S	23.6	Very low	26.7	Very low	100 Å²	100	107.7 Å²	107.7	70%	0.699	54%	0.54	S	S	*	.			trans	-72.9	80.5	175	59.4	0	0	0	0	108.4	R489 T493	R489-S491 PolarHBondContact O-N 3.32Å; S491-T493 VanDerWaalsContact C-N 3.27Å; S491-T493 PolarHBondContact O-N 3.17Å
492	I	25.1	Very low	27.3	Very low	111 Å²	111	100.3 Å²	100.3	57%	0.569	51%	0.506	S	S	*	.			trans	-54	104.1	156.4	-52.1	-178.5	0	0	0	104.2	V490 E497	V490-I492 HydrophobicContact CG1-CG1 4.15Å; V490-I492 PolarHBondContact O-N 3.3Å; I492-E497 HydrophobicContact CG2-CG 3.81Å
493	T	27	Very low	27.8	Very low	76 Å²	76	97.2 Å²	97.2	47%	0.466	49%	0.489	S	S	.	.			trans	-61.2	164.4	171.1	47.7	0	0	0	0	107.8	S491 I495 G496 E497	S491-T493 VanDerWaalsContact C-N 3.27Å; S491-T493 PolarHBondContact O-N 3.17Å; T493-I495 PolarHBondContact O-N 2.66Å; T493-G496 WeakPolarHBondContact O-CA 3.42Å; T493-G496 PolarHBondContact O-N 3.32Å; T493-G496 PolarHBondContact OG1-N 2.74Å; T493-E497 PolarHBondContact O-N 3.27Å
494	E	26.8	Very low	28.1	Very low	123 Å²	123	94.3 Å²	94.3	58%	0.575	47%	0.468	S	S	*	.	H	α-helix	trans	-49.1	-38.9	170.1	-164.6	-170.2	-110.2	0	0	109.8	G496 E497 K498 C548	E494-G496 VanDerWaalsContact C-N 3.33Å; E494-G496 PolarHBondContact O-N 3.19Å; E494-E497 WeakPolarHBondContact O-CB 3.23Å; E494-E497 PolarHBondContact O-N 3.18Å; E494-E497 VanDerWaalsContact O-N 3.11Å; E494-K498 VanDerWaalsContact O-CG 3.27Å; E494-K498 WeakPolarHBondContact O-CG 3.39Å; E494-K498 PolarHBondContact O-N 2.87Å; E494-K498 WeakPolarHBondContact OE2-CE 3.28Å; E494-K498 IonicContact OE2-NZ 2.71Å; E494-K498 PolarHBondContact OE2-NZ 2.91Å; E494-C548 HydrophobicContact CG-CB 4.44Å
495	I	26.9	Very low	28.7	Very low	94 Å²	94	88.7 Å²	88.7	48%	0.482	44%	0.441	S	S	.	.	H	α-helix	trans	-59.8	-30.1	174	-57.6	165.7	0	0	0	114.3	T493 K498 M499	T493-I495 PolarHBondContact O-N 2.66Å; I495-K498 HydrophobicContact CG1-CD 4.41Å; I495-K498 WeakPolarHBondContact O-CB 3.46Å; I495-K498 PolarHBondContact O-N 2.9Å; I495-M499 WeakPolarHBondContact O-CG 3.34Å; I495-M499 PolarHBondContact O-N 2.83Å
496	G	29.9	Very low	29.3	Very low	21 Å²	21	83.6 Å²	83.6	22%	0.216	42%	0.417	C	S	.	.	H	α-helix	trans	-70.9	-40.6	172	0	0	0	0	0	112.4	T493 E494 M499 F500	T493-G496 WeakPolarHBondContact O-CA 3.42Å; T493-G496 PolarHBondContact O-N 3.32Å; T493-G496 PolarHBondContact OG1-N 2.74Å; E494-G496 VanDerWaalsContact C-N 3.33Å; E494-G496 PolarHBondContact O-N 3.19Å; G496-M499 PolarHBondContact O-N 3.28Å; G496-F500 WeakPolarHBondContact O-CB 3.38Å; G496-F500 PolarHBondContact O-N 2.84Å
497	E	30.1	Very low	30	Very low	78 Å²	78	85.3 Å²	85.3	36%	0.364	42%	0.415	S	S	.	.	H	α-helix	trans	-64.9	-40.2	170.3	-59.8	-176.4	148.6	0	0	110.3	I492 T493 E494 M499 A501	I492-E497 HydrophobicContact CG2-CG 3.81Å; T493-E497 PolarHBondContact O-N 3.27Å; E494-E497 WeakPolarHBondContact O-CB 3.23Å; E494-E497 PolarHBondContact O-N 3.18Å; E494-E497 VanDerWaalsContact O-N 3.11Å; E497-M499 PolarHBondContact O-N 3.39Å; E497-A501 WeakPolarHBondContact O-CB 3.45Å; E497-A501 PolarHBondContact O-N 3.02Å; E497-A501 VanDerWaalsContact O-N 3.1Å
498	K	32	Very low	30.6	Very low	37 Å²	37	80.7 Å²	80.7	16%	0.161	40%	0.399	C	S	.	.	H	α-helix	trans	-51	-53.2	169.4	-58.9	-167.7	175.7	162	0	111.2	E494 I495 E502 I547 C548	E494-K498 VanDerWaalsContact O-CG 3.27Å; E494-K498 WeakPolarHBondContact O-CG 3.39Å; E494-K498 PolarHBondContact O-N 2.87Å; E494-K498 WeakPolarHBondContact OE2-CE 3.28Å; E494-K498 IonicContact OE2-NZ 2.71Å; E494-K498 PolarHBondContact OE2-NZ 2.91Å; I495-K498 HydrophobicContact CG1-CD 4.41Å; I495-K498 WeakPolarHBondContact O-CB 3.46Å; I495-K498 PolarHBondContact O-N 2.9Å; K498-E502 WeakPolarHBondContact O-CB 3.22Å; K498-E502 PolarHBondContact O-N 2.77Å; K498-I547 WeakPolarHBondContact CA-O 3.26Å; K498-I547 WeakPolarHBondContact CB-O 3.2Å; K498-I547 WeakPolarHBondContact CG-O 3.19Å; K498-C548 HydrophobicContact CD-CB 4.28Å; K498-C548 HydrophobicContact CG-CB 3.67Å
499	M	32.4	Very low	31.3	Very low	105 Å²	105	78.3 Å²	78.3	52%	0.517	39%	0.389	S	S	.	.	H	α-helix	trans	-67.4	-48.4	-176.1	-81.2	179	53	0	0	113	I495 G496 E497 E502 Q503	I495-M499 WeakPolarHBondContact O-CG 3.34Å; I495-M499 PolarHBondContact O-N 2.83Å; G496-M499 PolarHBondContact O-N 3.28Å; E497-M499 PolarHBondContact O-N 3.39Å; M499-E502 PolarHBondContact O-N 3Å; M499-Q503 WeakPolarHBondContact O-CG 3.26Å; M499-Q503 PolarHBondContact O-N 3.35Å
500	F	33.2	Very low	31.9	Very low	94 Å²	94	71.7 Å²	71.7	41%	0.412	37%	0.37	S	S	.	.	H	α-helix	trans	-62.8	-57.4	-176.3	178.6	-105.1	0	0	0	110.7	G496 E502 Q503 M504 D552	G496-F500 WeakPolarHBondContact O-CB 3.38Å; G496-F500 PolarHBondContact O-N 2.84Å; F500-E502 PolarHBondContact O-N 3Å; F500-Q503 WeakPolarHBondContact O-CA 3.45Å; F500-Q503 WeakPolarHBondContact O-CB 3.2Å; F500-Q503 PolarHBondContact O-N 3.21Å; F500-M504 HydrophobicContact CD1-CG 4.22Å; F500-M504 HydrophobicContact CE1-CE 4.29Å; F500-M504 HydrophobicContact CE1-CG 3.97Å; F500-M504 HydrophobicContact CE2-CE 3.72Å; F500-M504 HydrophobicContact CE2-CG 4.3Å; F500-M504 HydrophobicContact CE2-SD 4.16Å; F500-M504 HydrophobicContact CG-CG 4.5Å; F500-M504 HydrophobicContact CZ-CE 3.48Å; F500-M504 VanDerWaalsContact CZ-CE 3.48Å; F500-M504 HydrophobicContact CZ-CG 4.02Å; F500-M504 HydrophobicContact CZ-SD 4.24Å; F500-M504 VanDerWaalsContact O-CG 3.3Å; F500-M504 WeakPolarHBondContact O-CG 3.3Å; F500-M504 PolarHBondContact O-N 2.84Å; F500-D552 HydrophobicContact CE1-CB 4.41Å
501	A	34.7	Very low	32.5	Very low	4 Å²	4	70.7 Å²	70.7	3%	0.033	36%	0.36	C	S	.	.	H	α-helix	trans	-67.4	-22.6	-175.9	0	0	0	0	0	113.2	E497 R505 F549 F551	E497-A501 WeakPolarHBondContact O-CB 3.45Å; E497-A501 PolarHBondContact O-N 3.02Å; E497-A501 VanDerWaalsContact O-N 3.1Å; A501-R505 WeakPolarHBondContact O-CB 3.32Å; A501-R505 PolarHBondContact O-N 3.5Å; A501-F549 HydrophobicContact CB-CB 3.65Å; A501-F549 HydrophobicContact CB-CD2 4.13Å; A501-F549 HydrophobicContact CB-CG 4.3Å; A501-F549 VanDerWaalsContact CB-O 3.25Å; A501-F549 WeakPolarHBondContact CB-O 3.31Å; A501-F551 WeakPolarHBondContact CB-O 3.25Å
502	E	35.2	Very low	33.2	Very low	16 Å²	16	69.2 Å²	69.2	8%	0.075	34%	0.344	C	S	.	.	H	α-helix	trans	-82.3	-23.7	169.7	-178.9	55.7	-151.9	0	0	113.4	K498 M499 F500 M504 R505 Q506 K542 F549	K498-E502 WeakPolarHBondContact O-CB 3.22Å; K498-E502 PolarHBondContact O-N 2.77Å; M499-E502 PolarHBondContact O-N 3Å; F500-E502 PolarHBondContact O-N 3Å; E502-M504 VanDerWaalsContact C-N 3.34Å; E502-R505 IonicContact OE1-CZ 2.69Å; E502-R505 IonicContact OE1-NE 3.22Å; E502-R505 IonicContact OE1-NH2 3.53Å; E502-R505 PolarHBondContact OE1-NH2 3.5Å; E502-R505 IonicContact OE2-CZ 2.63Å; E502-R505 IonicContact OE2-NE 3.53Å; E502-R505 PolarHBondContact OE2-NE 3.05Å; E502-R505 IonicContact OE2-NH2 2.79Å; E502-R505 PolarHBondContact OE2-NH2 3.1Å; E502-Q506 WeakPolarHBondContact O-CB 3.46Å; E502-Q506 WeakPolarHBondContact O-CG 3.45Å; E502-Q506 PolarHBondContact O-N 3.47Å; E502-Q506 WeakPolarHBondContact OE1-CG 3.31Å; E502-Q506 PolarHBondContact OE1-NE2 3.19Å; E502-K542 HydrophobicContact CB-CD 4.44Å; E502-K542 HydrophobicContact CB-CG 4.41Å; E502-K542 HydrophobicContact CG-CB 3.79Å; E502-K542 HydrophobicContact CG-CD 3.53Å; E502-K542 HydrophobicContact CG-CG 3.52Å; E502-K542 PolarHBondContact O-NZ 3.45Å; E502-F549 HydrophobicContact CB-CD2 4.41Å; E502-F549 HydrophobicContact CB-CE2 3.92Å; E502-F549 WeakPolarHBondContact OE2-CE2 3.34Å; E502-F549 WeakPolarHBondContact OE2-CZ 3.14Å
503	Q	36.2	Very low	33.5	Very low	104 Å²	104	66.8 Å²	66.8	49%	0.486	33%	0.33	S	S	.	.	H	α-helix	trans	-65.6	-46.2	162.2	-75.4	171.7	-65.4	0	0	108.9	M499 F500 R505 Q506 H507	M499-Q503 WeakPolarHBondContact O-CG 3.26Å; M499-Q503 PolarHBondContact O-N 3.35Å; F500-Q503 WeakPolarHBondContact O-CA 3.45Å; F500-Q503 WeakPolarHBondContact O-CB 3.2Å; F500-Q503 PolarHBondContact O-N 3.21Å; Q503-R505 PolarHBondContact O-N 3.44Å; Q503-Q506 PolarHBondContact O-N 3.49Å; Q503-H507 WeakPolarHBondContact O-CB 3.25Å; Q503-H507 PolarHBondContact O-N 3.39Å
504	M	35.2	Very low	33.8	Very low	33 Å²	33	66.2 Å²	66.2	16%	0.163	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-43.5	179.7	-64.7	-31.4	-132.3	0	0	112.6	F500 E502 Q506 H507 V508 P553 W554	F500-M504 HydrophobicContact CD1-CG 4.22Å; F500-M504 HydrophobicContact CE1-CE 4.29Å; F500-M504 HydrophobicContact CE1-CG 3.97Å; F500-M504 HydrophobicContact CE2-CE 3.72Å; F500-M504 HydrophobicContact CE2-CG 4.3Å; F500-M504 HydrophobicContact CE2-SD 4.16Å; F500-M504 HydrophobicContact CG-CG 4.5Å; F500-M504 HydrophobicContact CZ-CE 3.48Å; F500-M504 VanDerWaalsContact CZ-CE 3.48Å; F500-M504 HydrophobicContact CZ-CG 4.02Å; F500-M504 HydrophobicContact CZ-SD 4.24Å; F500-M504 VanDerWaalsContact O-CG 3.3Å; F500-M504 WeakPolarHBondContact O-CG 3.3Å; F500-M504 PolarHBondContact O-N 2.84Å; E502-M504 VanDerWaalsContact C-N 3.34Å; M504-Q506 PolarHBondContact O-N 2.9Å; M504-H507 PolarHBondContact O-N 2.83Å; M504-V508 PolarHBondContact O-N 3.46Å; M504-P553 HydrophobicContact CB-CB 4.43Å; M504-P553 HydrophobicContact CB-CG 3.72Å; M504-W554 HydrophobicContact CE-CB 3.69Å; M504-W554 HydrophobicContact CE-CD2 4.49Å; M504-W554 HydrophobicContact CE-CG 3.5Å; M504-W554 VanDerWaalsContact CE-CG 3.5Å; M504-W554 HydrophobicContact CG-CG 4.45Å; M504-W554 PolarHBondContact O-NE1 3.29Å; M504-W554 HydrophobicContact SD-CG 3.92Å
505	R	36.6	Very low	34.1	Very low	74 Å²	74	63.9 Å²	63.9	28%	0.279	32%	0.316	S	S	.	.	H	α-helix	trans	-58.9	-47.5	174.1	-168	-174.3	71.6	71.9	6.5	111.9	A501 E502 Q503 H507 V508 Q509	A501-R505 WeakPolarHBondContact O-CB 3.32Å; A501-R505 PolarHBondContact O-N 3.5Å; E502-R505 IonicContact OE1-CZ 2.69Å; E502-R505 IonicContact OE1-NE 3.22Å; E502-R505 IonicContact OE1-NH2 3.53Å; E502-R505 PolarHBondContact OE1-NH2 3.5Å; E502-R505 IonicContact OE2-CZ 2.63Å; E502-R505 IonicContact OE2-NE 3.53Å; E502-R505 PolarHBondContact OE2-NE 3.05Å; E502-R505 IonicContact OE2-NH2 2.79Å; E502-R505 PolarHBondContact OE2-NH2 3.1Å; Q503-R505 PolarHBondContact O-N 3.44Å; R505-H507 PolarHBondContact O-N 3.19Å; R505-V508 PolarHBondContact O-N 3.2Å; R505-Q509 VanDerWaalsContact O-CB 3.32Å; R505-Q509 WeakPolarHBondContact O-CB 3.31Å; R505-Q509 PolarHBondContact O-N 3.06Å
506	Q	35.8	Very low	34.3	Very low	34 Å²	34	63 Å²	63	16%	0.159	31%	0.311	C	S	.	.	H	α-helix	trans	-66.5	-36.4	-178	-74.1	178.1	-7.9	0	0	112.7	E502 Q503 M504 Q509 M510 K542	E502-Q506 WeakPolarHBondContact O-CB 3.46Å; E502-Q506 WeakPolarHBondContact O-CG 3.45Å; E502-Q506 PolarHBondContact O-N 3.47Å; E502-Q506 WeakPolarHBondContact OE1-CG 3.31Å; E502-Q506 PolarHBondContact OE1-NE2 3.19Å; Q503-Q506 PolarHBondContact O-N 3.49Å; M504-Q506 PolarHBondContact O-N 2.9Å; Q506-Q509 PolarHBondContact O-N 2.93Å; Q506-M510 PolarHBondContact O-N 2.93Å; Q506-K542 VanDerWaalsContact CD-NZ 3.34Å
507	H	38.2	Very low	34.2	Very low	95 Å²	95	66.8 Å²	66.8	44%	0.44	33%	0.326	S	S	.	.	H	α-helix	trans	-75	-31.6	-177.6	-164.2	57.2	0	0	0	110.7	Q503 M504 R505 M510 L511 W554	Q503-H507 WeakPolarHBondContact O-CB 3.25Å; Q503-H507 PolarHBondContact O-N 3.39Å; M504-H507 PolarHBondContact O-N 2.83Å; R505-H507 PolarHBondContact O-N 3.19Å; H507-M510 WeakPolarHBondContact ND1-CE 3.36Å; H507-M510 WeakPolarHBondContact O-CB 3.42Å; H507-M510 PolarHBondContact O-N 2.94Å; H507-L511 PolarHBondContact O-N 2.88Å; H507-W554 HydrophobicContact CB-CH2 4.04Å; H507-W554 HydrophobicContact CB-CZ2 3.36Å; H507-W554 AromaticContact CD2-CE2 3.86Å; H507-W554 AromaticContact CD2-CH2 3.22Å; H507-W554 WeakPolarHBondContact CD2-CH2 3.36Å; H507-W554 AromaticContact CD2-CZ2 3.23Å; H507-W554 WeakPolarHBondContact CD2-CZ2 3.26Å; H507-W554 AromaticContact CD2-CZ3 3.85Å; H507-W554 AromaticContact CG-CH2 3.66Å; H507-W554 AromaticContact CG-CZ2 3.47Å; H507-W554 VanDerWaalsContact CG-CZ2 3.47Å
508	V	36.2	Very low	34.1	Very low	43 Å²	43	67.9 Å²	67.9	26%	0.261	34%	0.341	S	S	.	.	H	α-helix	trans	-75.8	-36.7	175.4	174	0	0	0	0	109.3	M504 R505 M510 L511 L512 P553 W554 L557	M504-V508 PolarHBondContact O-N 3.46Å; R505-V508 PolarHBondContact O-N 3.2Å; V508-M510 VanDerWaalsContact C-N 3.31Å; V508-L511 PolarHBondContact O-N 3.49Å; V508-L512 WeakPolarHBondContact O-CB 3.12Å; V508-L512 PolarHBondContact O-N 3.44Å; V508-P553 HydrophobicContact CG2-CB 3.71Å; V508-W554 HydrophobicContact CB-CZ2 4.19Å; V508-W554 HydrophobicContact CG2-CD2 4.32Å; V508-W554 VanDerWaalsContact CG2-CE2 3.48Å; V508-W554 HydrophobicContact CG2-CH2 4.1Å; V508-W554 HydrophobicContact CG2-CZ2 3.36Å; V508-W554 VanDerWaalsContact N-CZ2 3.26Å; V508-L557 HydrophobicContact CG2-CD2 4.17Å
509	Q	35.2	Very low	33.8	Very low	61 Å²	61	71 Å²	71	29%	0.285	36%	0.355	S	S	.	.	H	α-helix	trans	-59.3	-42.9	170.4	-167.4	168.8	-0.3	0	0	110.7	R505 Q506 Q513	R505-Q509 VanDerWaalsContact O-CB 3.32Å; R505-Q509 WeakPolarHBondContact O-CB 3.31Å; R505-Q509 PolarHBondContact O-N 3.06Å; Q506-Q509 PolarHBondContact O-N 2.93Å; Q509-Q513 VanDerWaalsContact O-CB 3.24Å; Q509-Q513 WeakPolarHBondContact O-CB 3.33Å; Q509-Q513 WeakPolarHBondContact O-CG 3.31Å; Q509-Q513 PolarHBondContact O-N 2.82Å; Q509-Q513 PolarHBondContact O-OE1 3.17Å
510	M	36.4	Very low	33.6	Very low	98 Å²	98	74.5 Å²	74.5	48%	0.483	37%	0.37	S	S	.	.	H	α-helix	trans	-58.7	-52.9	168.3	-94.6	-151.3	-48.8	0	0	112.3	Q506 H507 V508 L512 Q513 S514	Q506-M510 PolarHBondContact O-N 2.93Å; H507-M510 WeakPolarHBondContact ND1-CE 3.36Å; H507-M510 WeakPolarHBondContact O-CB 3.42Å; H507-M510 PolarHBondContact O-N 2.94Å; V508-M510 VanDerWaalsContact C-N 3.31Å; M510-L512 VanDerWaalsContact C-N 3.28Å; M510-L512 PolarHBondContact O-N 3.31Å; M510-Q513 CarbonylContact O-C 3.51Å; M510-Q513 WeakPolarHBondContact O-CA 3.43Å; M510-Q513 PolarHBondContact O-N 2.87Å; M510-S514 PolarHBondContact O-N 2.95Å; M510-S514 PolarHBondContact O-OG 3.38Å
511	L	36.4	Very low	33.3	Very low	84 Å²	84	73.6 Å²	73.6	44%	0.44	37%	0.372	S	S	.	.	H	α-helix	trans	-60.7	-40.2	-173.6	-141.7	156.1	0	0	0	111.1	H507 V508 Y515 W554	H507-L511 PolarHBondContact O-N 2.88Å; V508-L511 PolarHBondContact O-N 3.49Å; L511-Y515 WeakPolarHBondContact O-CB 3.1Å; L511-Y515 PolarHBondContact O-N 2.7Å; L511-W554 HydrophobicContact CD1-CH2 3.65Å; L511-W554 HydrophobicContact CD1-CZ3 3.71Å
512	L	37	Very low	33	Very low	68 Å²	68	76.1 Å²	76.1	36%	0.356	39%	0.387	S	S	.	.	H	α-helix	trans	-66.9	-37.4	171.8	-162.1	90.1	0	0	0	112.9	V508 M510 L516 F625	V508-L512 WeakPolarHBondContact O-CB 3.12Å; V508-L512 PolarHBondContact O-N 3.44Å; M510-L512 VanDerWaalsContact C-N 3.28Å; M510-L512 PolarHBondContact O-N 3.31Å; L512-L516 VanDerWaalsContact O-CG 3.29Å; L512-L516 WeakPolarHBondContact O-CG 3.35Å; L512-L516 PolarHBondContact O-N 2.85Å; L512-F625 HydrophobicContact CD2-CE2 4.31Å; L512-F625 HydrophobicContact CD2-CZ 3.7Å
513	Q	31.9	Very low	32.7	Very low	61 Å²	61	86.1 Å²	86.1	29%	0.285	43%	0.43	S	S	.	.	H	α-helix	trans	-71.6	-42.1	177.9	-78.1	172.9	-50.7	0	0	112.3	Q509 M510 Y515 L516 L517	Q509-Q513 VanDerWaalsContact O-CB 3.24Å; Q509-Q513 WeakPolarHBondContact O-CB 3.33Å; Q509-Q513 WeakPolarHBondContact O-CG 3.31Å; Q509-Q513 PolarHBondContact O-N 2.82Å; Q509-Q513 PolarHBondContact O-OE1 3.17Å; M510-Q513 CarbonylContact O-C 3.51Å; M510-Q513 WeakPolarHBondContact O-CA 3.43Å; M510-Q513 PolarHBondContact O-N 2.87Å; Q513-Y515 VanDerWaalsContact C-N 3.32Å; Q513-L516 CarbonylContact O-C 3.56Å; Q513-L516 PolarHBondContact O-N 3.38Å; Q513-L517 WeakPolarHBondContact O-CB 3.22Å; Q513-L517 PolarHBondContact O-N 3.39Å
514	S	33.8	Very low	32.3	Very low	63 Å²	63	82.9 Å²	82.9	44%	0.441	42%	0.419	S	S	.	.	H	α-helix	trans	-59.7	-43	170.8	-64.6	0	0	0	0	110.9	M510 L516 L517 C518	M510-S514 PolarHBondContact O-N 2.95Å; M510-S514 PolarHBondContact O-OG 3.38Å; S514-L516 PolarHBondContact O-N 2.94Å; S514-L517 WeakPolarHBondContact O-CA 3.38Å; S514-L517 WeakPolarHBondContact O-CB 3.43Å; S514-L517 PolarHBondContact O-N 3.4Å; S514-L517 VanDerWaalsContact O-N 3.09Å; S514-C518 PolarHBondContact O-N 2.83Å; S514-C518 PolarHBondContact O-SG 3.16Å
515	Y	33.6	Very low	32	Very low	74 Å²	74	85.4 Å²	85.4	29%	0.29	44%	0.44	S	S	.	.	H	α-helix	trans	-60.9	-44.3	174.5	-154.5	-126.6	0	0	0	111.5	L511 Q513 L517 C518 F519 P579 L582 I583	L511-Y515 WeakPolarHBondContact O-CB 3.1Å; L511-Y515 PolarHBondContact O-N 2.7Å; Q513-Y515 VanDerWaalsContact C-N 3.32Å; Y515-L517 VanDerWaalsContact C-N 3.28Å; Y515-L517 PolarHBondContact O-N 3.05Å; Y515-C518 PolarHBondContact O-N 3.46Å; Y515-F519 HydrophobicContact CD1-CE2 4.44Å; Y515-F519 HydrophobicContact CD2-CE2 4.32Å; Y515-F519 HydrophobicContact CE1-CE2 4.2Å; Y515-F519 HydrophobicContact CE2-CE2 4.05Å; Y515-F519 AromaticContact CZ-CE2 3.99Å; Y515-F519 VanDerWaalsContact O-CD2 3.29Å; Y515-F519 WeakPolarHBondContact O-CD2 3.29Å; Y515-F519 PolarHBondContact O-N 2.94Å; Y515-P579 HydrophobicContact CD1-CB 4.43Å; Y515-P579 HydrophobicContact CE1-CB 3.43Å; Y515-P579 VanDerWaalsContact CE1-CB 3.43Å; Y515-P579 WeakPolarHBondContact OH-CB 3.3Å; Y515-L582 WeakPolarHBondContact OH-CD2 3.5Å; Y515-I583 HydrophobicContact CE1-CD1 4.3Å
516	L	30.4	Very low	31.6	Very low	75 Å²	75	87.8 Å²	87.8	39%	0.393	45%	0.45	S	S	.	.	H	α-helix	trans	-65.8	-27.2	173.5	-71.7	165.8	0	0	0	113.5	L512 Q513 S514	L512-L516 VanDerWaalsContact O-CG 3.29Å; L512-L516 WeakPolarHBondContact O-CG 3.35Å; L512-L516 PolarHBondContact O-N 2.85Å; Q513-L516 CarbonylContact O-C 3.56Å; Q513-L516 PolarHBondContact O-N 3.38Å; S514-L516 PolarHBondContact O-N 2.94Å
517	L	28	Very low	31.3	Very low	101 Å²	101	88.4 Å²	88.4	53%	0.529	46%	0.456	S	S	.	.	H	α-helix	trans	-69.1	-47.8	173.3	-141.2	75.5	0	0	0	110.8	Q513 S514 Y515 F519 H520 I528	Q513-L517 WeakPolarHBondContact O-CB 3.22Å; Q513-L517 PolarHBondContact O-N 3.39Å; S514-L517 WeakPolarHBondContact O-CA 3.38Å; S514-L517 WeakPolarHBondContact O-CB 3.43Å; S514-L517 PolarHBondContact O-N 3.4Å; S514-L517 VanDerWaalsContact O-N 3.09Å; Y515-L517 VanDerWaalsContact C-N 3.28Å; Y515-L517 PolarHBondContact O-N 3.05Å; L517-F519 PolarHBondContact O-N 3.44Å; L517-H520 PolarHBondContact O-N 2.87Å; L517-H520 VanDerWaalsContact O-N 3.12Å; L517-I528 HydrophobicContact CD1-CD1 4.17Å
518	C	28	Very low	30.9	Very low	101 Å²	101	87 Å²	87	68%	0.682	45%	0.451	S	S	*	.	H	α-helix	trans	-62	-22.2	177.6	-65.7	0	0	0	0	113.6	S514 Y515	S514-C518 PolarHBondContact O-N 2.83Å; S514-C518 PolarHBondContact O-SG 3.16Å; Y515-C518 PolarHBondContact O-N 3.46Å
519	F	26.4	Very low	30.6	Very low	104 Å²	104	86.6 Å²	86.6	46%	0.456	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	18.9	175.6	-77.7	-71.7	0	0	0	114.5	Y515 L517 V521 P579	Y515-F519 HydrophobicContact CD1-CE2 4.44Å; Y515-F519 HydrophobicContact CD2-CE2 4.32Å; Y515-F519 HydrophobicContact CE1-CE2 4.2Å; Y515-F519 HydrophobicContact CE2-CE2 4.05Å; Y515-F519 AromaticContact CZ-CE2 3.99Å; Y515-F519 VanDerWaalsContact O-CD2 3.29Å; Y515-F519 WeakPolarHBondContact O-CD2 3.29Å; Y515-F519 PolarHBondContact O-N 2.94Å; L517-F519 PolarHBondContact O-N 3.44Å; F519-V521 HydrophobicContact CB-CG2 4Å; F519-V521 VanDerWaalsContact O-CG2 3.28Å; F519-V521 WeakPolarHBondContact O-CG2 3.2Å; F519-V521 PolarHBondContact O-N 3.21Å; F519-P579 HydrophobicContact CD1-CG 4.31Å; F519-P579 HydrophobicContact CD2-CB 4.32Å; F519-P579 HydrophobicContact CD2-CG 4.06Å; F519-P579 HydrophobicContact CE1-CG 3.86Å; F519-P579 HydrophobicContact CE2-CB 3.62Å; F519-P579 HydrophobicContact CE2-CG 3.6Å; F519-P579 HydrophobicContact CG-CG 4.43Å; F519-P579 HydrophobicContact CZ-CB 3.81Å; F519-P579 HydrophobicContact CZ-CG 3.5Å
520	H	27	Very low	30.5	Very low	177 Å²	177	88.5 Å²	88.5	82%	0.819	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	22.6	171.6	-75	-51.7	0	0	0	116.4	L517 T522	L517-H520 PolarHBondContact O-N 2.87Å; L517-H520 VanDerWaalsContact O-N 3.12Å; H520-T522 VanDerWaalsContact C-N 3.26Å; H520-T522 PolarHBondContact O-N 2.92Å; H520-T522 VanDerWaalsContact O-N 3.12Å
521	V	27.9	Very low	30.3	Very low	75 Å²	75	85.3 Å²	85.3	46%	0.455	46%	0.457	S	S	.	.			trans	-71.6	-12.9	-165.6	-170.8	0	0	0	0	114.3	F519	F519-V521 HydrophobicContact CB-CG2 4Å; F519-V521 VanDerWaalsContact O-CG2 3.28Å; F519-V521 WeakPolarHBondContact O-CG2 3.2Å; F519-V521 PolarHBondContact O-N 3.21Å
522	T	27.3	Very low	30.1	Very low	58 Å²	58	87 Å²	87	36%	0.356	46%	0.464	S	S	.	.			trans	-137.8	110.2	-175.7	50.8	0	0	0	0	113.9	H520 S524	H520-T522 VanDerWaalsContact C-N 3.26Å; H520-T522 PolarHBondContact O-N 2.92Å; H520-T522 VanDerWaalsContact O-N 3.12Å; T522-S524 PolarHBondContact O-N 3.09Å
523	K	28.2	Very low	30	Very low	226 Å²	226	88.6 Å²	88.6	98%	0.983	48%	0.476	S	S	*	.			trans	-75.5	13.8	172.1	-69.3	-170.3	172.6	-171.7	0	115.1
524	S	29	Very low	30.1	Very low	36 Å²	36	91.9 Å²	91.9	25%	0.252	49%	0.493	S	S	.	.			trans	-120.2	110.1	-172.5	177.1	0	0	0	0	111.5	T522 Y526 V527	T522-S524 PolarHBondContact O-N 3.09Å; S524-Y526 VanDerWaalsContact C-N 3.29Å; S524-Y526 PolarHBondContact O-N 2.63Å; S524-V527 PolarHBondContact O-N 3.22Å; S524-V527 PolarHBondContact OG-N 3.33Å
525	S	28.1	Very low	30.1	Very low	86 Å²	86	90.8 Å²	90.8	60%	0.601	48%	0.482	S	S	*	.	H	α-helix	trans	-60.2	-36.7	170.4	46.8	0	0	0	0	112.1	V527 I528 G529	S525-V527 VanDerWaalsContact C-N 3.34Å; S525-V527 PolarHBondContact O-N 3.32Å; S525-I528 WeakPolarHBondContact O-CA 3.3Å; S525-I528 WeakPolarHBondContact O-CB 3.32Å; S525-I528 PolarHBondContact O-N 3.47Å; S525-G529 PolarHBondContact O-N 2.61Å
526	Y	28	Very low	30.2	Very low	124 Å²	124	92.2 Å²	92.2	49%	0.486	49%	0.494	S	S	.	.	H	α-helix	trans	-59.3	-40.2	176.6	-78.1	-84.7	0	0	0	113.1	S524 I528 G529 D530 F704	S524-Y526 VanDerWaalsContact C-N 3.29Å; S524-Y526 PolarHBondContact O-N 2.63Å; Y526-I528 VanDerWaalsContact C-N 3.26Å; Y526-I528 PolarHBondContact O-N 3.46Å; Y526-G529 PolarHBondContact O-N 2.91Å; Y526-D530 PolarHBondContact O-N 2.95Å; Y526-F704 HydrophobicContact CD1-CZ 4.49Å; Y526-F704 HydrophobicContact CE1-CE2 4.42Å; Y526-F704 HydrophobicContact CE1-CZ 4.25Å
527	V	29.6	Very low	30.4	Very low	46 Å²	46	90.1 Å²	90.1	28%	0.279	49%	0.49	S	S	.	.	H	α-helix	trans	-68.1	-28	176.3	178.6	0	0	0	0	112	S524 S525 A531	S524-V527 PolarHBondContact O-N 3.22Å; S524-V527 PolarHBondContact OG-N 3.33Å; S525-V527 VanDerWaalsContact C-N 3.34Å; S525-V527 PolarHBondContact O-N 3.32Å; V527-A531 WeakPolarHBondContact O-CB 3.35Å; V527-A531 PolarHBondContact O-N 2.73Å; V527-A531 VanDerWaalsContact O-N 3.12Å
528	I	30.1	Very low	30.8	Very low	66 Å²	66	88 Å²	88	34%	0.338	48%	0.479	S	S	.	.	H	α-helix	trans	-73	-43.1	172.5	-59.6	169.9	0	0	0	109.9	L517 S525 Y526 A531 M532	L517-I528 HydrophobicContact CD1-CD1 4.17Å; S525-I528 WeakPolarHBondContact O-CA 3.3Å; S525-I528 WeakPolarHBondContact O-CB 3.32Å; S525-I528 PolarHBondContact O-N 3.47Å; Y526-I528 VanDerWaalsContact C-N 3.26Å; Y526-I528 PolarHBondContact O-N 3.46Å; I528-A531 PolarHBondContact O-N 3.07Å; I528-M532 WeakPolarHBondContact O-CG 3.14Å; I528-M532 PolarHBondContact O-N 3.25Å
529	G	30.5	Very low	31.1	Very low	34 Å²	34	89.7 Å²	89.7	35%	0.351	47%	0.471	S	S	.	.	H	α-helix	trans	-59.5	-52.9	174.4	0	0	0	0	0	112.9	S525 Y526 A531 M532 V533	S525-G529 PolarHBondContact O-N 2.61Å; Y526-G529 PolarHBondContact O-N 2.91Å; G529-A531 VanDerWaalsContact C-N 3.31Å; G529-A531 PolarHBondContact O-N 2.79Å; G529-M532 CarbonylContact O-C 3.42Å; G529-M532 WeakPolarHBondContact O-CA 3.43Å; G529-M532 WeakPolarHBondContact O-CB 3.44Å; G529-M532 PolarHBondContact O-N 2.91Å; G529-M532 VanDerWaalsContact O-N 3.08Å; G529-V533 WeakPolarHBondContact O-CG2 3.24Å; G529-V533 PolarHBondContact O-N 3.3Å
530	D	31.9	Very low	31.5	Very low	102 Å²	102	92.4 Å²	92.4	55%	0.545	48%	0.483	S	S	.	.	H	α-helix	trans	-59.6	-40.3	175.7	-82.4	-22.1	0	0	0	112	Y526 V533 M534	Y526-D530 PolarHBondContact O-N 2.95Å; D530-V533 PolarHBondContact O-N 3.31Å; D530-M534 WeakPolarHBondContact O-CB 3.36Å; D530-M534 PolarHBondContact O-N 3.12Å
531	A	32.7	Very low	31.8	Very low	31 Å²	31	89.1 Å²	89.1	26%	0.256	47%	0.471	S	S	.	.	H	α-helix	trans	-63.1	-42.1	174.2	0	0	0	0	0	111.2	V527 I528 G529 M534 L535	V527-A531 WeakPolarHBondContact O-CB 3.35Å; V527-A531 PolarHBondContact O-N 2.73Å; V527-A531 VanDerWaalsContact O-N 3.12Å; I528-A531 PolarHBondContact O-N 3.07Å; G529-A531 VanDerWaalsContact C-N 3.31Å; G529-A531 PolarHBondContact O-N 2.79Å; A531-M534 PolarHBondContact O-N 3.12Å; A531-L535 VanDerWaalsContact O-CB 3.27Å; A531-L535 WeakPolarHBondContact O-CB 3.38Å; A531-L535 WeakPolarHBondContact O-CD1 3.35Å; A531-L535 WeakPolarHBondContact O-CG 3.44Å; A531-L535 PolarHBondContact O-N 3.32Å
532	M	33.3	Very low	32.1	Very low	120 Å²	120	87 Å²	87	59%	0.591	46%	0.455	S	S	*	.	H	α-helix	trans	-65.8	-42.6	174.4	-78.2	-165	168.7	0	0	112.6	I528 G529 M534 L535 L536	I528-M532 WeakPolarHBondContact O-CG 3.14Å; I528-M532 PolarHBondContact O-N 3.25Å; G529-M532 CarbonylContact O-C 3.42Å; G529-M532 WeakPolarHBondContact O-CA 3.43Å; G529-M532 WeakPolarHBondContact O-CB 3.44Å; G529-M532 PolarHBondContact O-N 2.91Å; G529-M532 VanDerWaalsContact O-N 3.08Å; M532-M534 PolarHBondContact O-N 2.94Å; M532-L535 PolarHBondContact O-N 2.95Å; M532-L536 WeakPolarHBondContact O-CB 3.4Å; M532-L536 VanDerWaalsContact O-CG 3.23Å; M532-L536 WeakPolarHBondContact O-CG 3.35Å; M532-L536 PolarHBondContact O-N 2.86Å
533	V	35.2	Very low	32.3	Very low	100 Å²	100	90.5 Å²	90.5	61%	0.606	47%	0.468	S	S	*	.	H	α-helix	trans	-63.9	-41.1	175.9	173.1	0	0	0	0	110.8	G529 D530 L536 G537	G529-V533 WeakPolarHBondContact O-CG2 3.24Å; G529-V533 PolarHBondContact O-N 3.3Å; D530-V533 PolarHBondContact O-N 3.31Å; V533-L536 PolarHBondContact O-N 3.33Å; V533-G537 PolarHBondContact O-N 3.39Å
534	M	33.6	Very low	32.6	Very low	130 Å²	130	83.9 Å²	83.9	64%	0.64	45%	0.45	S	S	*	.	H	α-helix	trans	-68.7	-36.9	175.2	-167.1	-178.2	-62.1	0	0	112.1	D530 A531 M532 G537 L538	D530-M534 WeakPolarHBondContact O-CB 3.36Å; D530-M534 PolarHBondContact O-N 3.12Å; A531-M534 PolarHBondContact O-N 3.12Å; M532-M534 PolarHBondContact O-N 2.94Å; M534-G537 PolarHBondContact O-N 2.94Å; M534-L538 HydrophobicContact CG-CD1 4.35Å; M534-L538 WeakPolarHBondContact O-CB 3.48Å; M534-L538 VanDerWaalsContact O-CG 3.3Å; M534-L538 WeakPolarHBondContact O-CG 3.49Å; M534-L538 PolarHBondContact O-N 3.46Å
535	L	33.3	Very low	32.5	Very low	41 Å²	41	84.2 Å²	84.2	22%	0.215	46%	0.458	C	S	.	.	H	α-helix	trans	-66.8	-38.5	171.9	-75.9	165.7	0	0	0	111.9	A531 M532 L538 R539	A531-L535 VanDerWaalsContact O-CB 3.27Å; A531-L535 WeakPolarHBondContact O-CB 3.38Å; A531-L535 WeakPolarHBondContact O-CD1 3.35Å; A531-L535 WeakPolarHBondContact O-CG 3.44Å; A531-L535 PolarHBondContact O-N 3.32Å; M532-L535 PolarHBondContact O-N 2.95Å; L535-L538 PolarHBondContact O-N 3.43Å; L535-R539 WeakPolarHBondContact O-CB 3.36Å; L535-R539 PolarHBondContact O-N 3.25Å
536	L	35.4	Very low	32.6	Very low	104 Å²	104	82.6 Å²	82.6	55%	0.545	46%	0.456	S	S	.	.	H	α-helix	trans	-66.9	-37.1	172.5	-72.9	167.1	0	0	0	111.3	M532 V533 R539 K540	M532-L536 WeakPolarHBondContact O-CB 3.4Å; M532-L536 VanDerWaalsContact O-CG 3.23Å; M532-L536 WeakPolarHBondContact O-CG 3.35Å; M532-L536 PolarHBondContact O-N 2.86Å; V533-L536 PolarHBondContact O-N 3.33Å; L536-R539 PolarHBondContact O-N 2.79Å; L536-K540 WeakPolarHBondContact O-CB 3.19Å; L536-K540 PolarHBondContact O-N 2.97Å
537	G	35.4	Very low	32.5	Very low	30 Å²	30	82.3 Å²	82.3	31%	0.309	46%	0.461	S	S	.	.	H	α-helix	trans	-65.9	-43	171.8	0	0	0	0	0	113.1	V533 M534 K540 L541	V533-G537 PolarHBondContact O-N 3.39Å; M534-G537 PolarHBondContact O-N 2.94Å; G537-K540 CarbonylContact O-C 3.48Å; G537-K540 WeakPolarHBondContact O-CB 3.34Å; G537-K540 PolarHBondContact O-N 3.49Å; G537-L541 PolarHBondContact O-N 2.82Å
538	L	35.4	Very low	32.5	Very low	56 Å²	56	82.2 Å²	82.2	29%	0.293	46%	0.462	S	S	.	.	H	α-helix	trans	-69	-35.1	174	-73.4	167.4	0	0	0	111.9	M534 L535 L541 K542	M534-L538 HydrophobicContact CG-CD1 4.35Å; M534-L538 WeakPolarHBondContact O-CB 3.48Å; M534-L538 VanDerWaalsContact O-CG 3.3Å; M534-L538 WeakPolarHBondContact O-CG 3.49Å; M534-L538 PolarHBondContact O-N 3.46Å; L535-L538 PolarHBondContact O-N 3.43Å; L538-L541 HydrophobicContact CD2-CD1 4.32Å; L538-L541 PolarHBondContact O-N 3.37Å; L538-K542 VanDerWaalsContact O-CB 3.31Å; L538-K542 WeakPolarHBondContact O-CB 3.28Å; L538-K542 PolarHBondContact O-N 2.77Å
539	R	34.5	Very low	32.4	Very low	137 Å²	137	81.4 Å²	81.4	52%	0.517	46%	0.456	S	S	.	.	H	α-helix	trans	-63.2	-39.6	168.8	-178.9	175.6	179.4	174.9	-0.4	111.2	L535 L536 K542 H543	L535-R539 WeakPolarHBondContact O-CB 3.36Å; L535-R539 PolarHBondContact O-N 3.25Å; L536-R539 PolarHBondContact O-N 2.79Å; R539-K542 WeakPolarHBondContact O-CB 3.5Å; R539-H543 VanDerWaalsContact CG-NE2 3.3Å; R539-H543 WeakPolarHBondContact CG-NE2 3.38Å; R539-H543 WeakPolarHBondContact O-CB 3.11Å; R539-H543 PolarHBondContact O-CD2 3.43Å; R539-H543 PolarHBondContact O-N 3.11Å
540	K	36	Very low	32.4	Very low	162 Å²	162	86.1 Å²	86.1	70%	0.704	46%	0.463	S	S	*	.	H	α-helix	trans	-65.2	-41.9	172.6	-166.9	175.8	-177.5	178.1	0	111.9	L536 G537 H543 S544	L536-K540 WeakPolarHBondContact O-CB 3.19Å; L536-K540 PolarHBondContact O-N 2.97Å; G537-K540 CarbonylContact O-C 3.48Å; G537-K540 WeakPolarHBondContact O-CB 3.34Å; G537-K540 PolarHBondContact O-N 3.49Å; K540-H543 CarbonylContact O-C 3.6Å; K540-H543 PolarHBondContact O-N 3.47Å; K540-S544 PolarHBondContact O-N 2.91Å; K540-S544 PolarHBondContact O-OG 3.34Å
541	L	32.3	Very low	32.6	Very low	107 Å²	107	82.7 Å²	82.7	56%	0.56	44%	0.444	S	S	*	.	H	α-helix	trans	-67.6	-36.9	175.8	-80.5	159.6	0	0	0	113.6	G537 L538 S544 G545	G537-L541 PolarHBondContact O-N 2.82Å; L538-L541 HydrophobicContact CD2-CD1 4.32Å; L538-L541 PolarHBondContact O-N 3.37Å; L541-S544 WeakPolarHBondContact CA-OG 3.49Å; L541-S544 PolarHBondContact O-N 2.99Å; L541-S544 PolarHBondContact O-OG 3.42Å; L541-G545 PolarHBondContact O-N 3.37Å
542	K	34	Very low	32.9	Very low	31 Å²	31	83.4 Å²	83.4	14%	0.135	44%	0.443	C	S	.	.	H	α-helix	trans	-60.8	-51.7	167.4	165.9	-170.2	-158.1	152.7	0	111	E502 Q506 L538 R539 S544 G545	E502-K542 HydrophobicContact CB-CD 4.44Å; E502-K542 HydrophobicContact CB-CG 4.41Å; E502-K542 HydrophobicContact CG-CB 3.79Å; E502-K542 HydrophobicContact CG-CD 3.53Å; E502-K542 HydrophobicContact CG-CG 3.52Å; E502-K542 PolarHBondContact O-NZ 3.45Å; Q506-K542 VanDerWaalsContact CD-NZ 3.34Å; L538-K542 VanDerWaalsContact O-CB 3.31Å; L538-K542 WeakPolarHBondContact O-CB 3.28Å; L538-K542 PolarHBondContact O-N 2.77Å; R539-K542 WeakPolarHBondContact O-CB 3.5Å; K542-S544 PolarHBondContact O-N 3.18Å; K542-G545 PolarHBondContact O-N 3.44Å
543	H	32.6	Very low	33	Very low	132 Å²	132	78.2 Å²	78.2	61%	0.611	42%	0.418	S	S	*	.	H	α-helix	trans	-67	-20.5	-179.8	-65.2	-32.6	0	0	0	112.5	R539 K540 G545	R539-H543 VanDerWaalsContact CG-NE2 3.3Å; R539-H543 WeakPolarHBondContact CG-NE2 3.38Å; R539-H543 WeakPolarHBondContact O-CB 3.11Å; R539-H543 PolarHBondContact O-CD2 3.43Å; R539-H543 PolarHBondContact O-N 3.11Å; K540-H543 CarbonylContact O-C 3.6Å; K540-H543 PolarHBondContact O-N 3.47Å; H543-G545 VanDerWaalsContact C-N 3.32Å
544	S	33.6	Very low	33.1	Very low	87 Å²	87	75.4 Å²	75.4	61%	0.608	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	9	167.4	67.2	0	0	0	0	115	K540 L541 K542	K540-S544 PolarHBondContact O-N 2.91Å; K540-S544 PolarHBondContact O-OG 3.34Å; L541-S544 WeakPolarHBondContact CA-OG 3.49Å; L541-S544 PolarHBondContact O-N 2.99Å; L541-S544 PolarHBondContact O-OG 3.42Å; K542-S544 PolarHBondContact O-N 3.18Å
545	G	28.1	Very low	33.4	Very low	42 Å²	42	75 Å²	75	43%	0.433	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	21.7	160.6	0	0	0	0	0	118.1	L541 K542 H543	L541-G545 PolarHBondContact O-N 3.37Å; K542-G545 PolarHBondContact O-N 3.44Å; H543-G545 VanDerWaalsContact C-N 3.32Å
546	G	28.6	Very low	33.9	Very low	53 Å²	53	74.5 Å²	74.5	55%	0.546	39%	0.389	S	S	.	.			trans	-69.1	-51	-164.9	0	0	0	0	0	119.1
547	I	26.3	Very low	34.2	Very low	117 Å²	117	70.4 Å²	70.4	60%	0.6	37%	0.368	S	S	*	.			trans	-136	143.3	-153.3	-57	179.2	0	0	0	112.9	K498 F549	K498-I547 WeakPolarHBondContact CA-O 3.26Å; K498-I547 WeakPolarHBondContact CB-O 3.2Å; K498-I547 WeakPolarHBondContact CG-O 3.19Å; I547-F549 HydrophobicContact CB-CE2 4.41Å; I547-F549 HydrophobicContact CB-CZ 4.31Å; I547-F549 HydrophobicContact CG2-CE1 4.07Å; I547-F549 HydrophobicContact CG2-CE2 4.03Å; I547-F549 HydrophobicContact CG2-CZ 3.69Å
548	C	29.4	Very low	34.5	Very low	44 Å²	44	74.4 Å²	74.4	30%	0.297	38%	0.378	S	S	.	.			trans	-104.6	150.3	175.6	-154.9	0	0	0	0	114	E494 K498	E494-C548 HydrophobicContact CG-CB 4.44Å; K498-C548 HydrophobicContact CD-CB 4.28Å; K498-C548 HydrophobicContact CG-CB 3.67Å
549	F	29.4	Very low	35	Very low	50 Å²	50	74.2 Å²	74.2	22%	0.219	38%	0.378	C	S	.	.			trans	-142.2	137.8	167.6	-33.5	-106.2	0	0	0	108.8	A501 E502 I547 F551	A501-F549 HydrophobicContact CB-CB 3.65Å; A501-F549 HydrophobicContact CB-CD2 4.13Å; A501-F549 HydrophobicContact CB-CG 4.3Å; A501-F549 VanDerWaalsContact CB-O 3.25Å; A501-F549 WeakPolarHBondContact CB-O 3.31Å; E502-F549 HydrophobicContact CB-CD2 4.41Å; E502-F549 HydrophobicContact CB-CE2 3.92Å; E502-F549 WeakPolarHBondContact OE2-CE2 3.34Å; E502-F549 WeakPolarHBondContact OE2-CZ 3.14Å; I547-F549 HydrophobicContact CB-CE2 4.41Å; I547-F549 HydrophobicContact CB-CZ 4.31Å; I547-F549 HydrophobicContact CG2-CE1 4.07Å; I547-F549 HydrophobicContact CG2-CE2 4.03Å; I547-F549 HydrophobicContact CG2-CZ 3.69Å; F549-F551 HydrophobicContact CB-CB 4.41Å; F549-F551 PolarHBondContact O-N 2.96Å
550	R	30.6	Very low	35.6	Very low	132 Å²	132	67.7 Å²	67.7	50%	0.498	35%	0.353	S	S	.	.			trans	-90.3	15.6	174.4	-75.1	180	160.2	172.8	-8.2	113.2	P599 N600	R550-P599 PolarHBondContact NH1-O 3.48Å; R550-N600 PolarHBondContact NH1-ND2 2.87Å; R550-N600 VanDerWaalsContact NH1-ND2 3.18Å; R550-N600 PolarHBondContact NH2-ND2 3.49Å
551	F	34.9	Very low	35.9	Very low	31 Å²	31	64 Å²	64	14%	0.136	34%	0.337	C	S	.	.			trans	-100.7	130.9	-166.2	-175.6	-140.5	0	0	0	108.8	A501 F549 P553 Y594 L597	A501-F551 WeakPolarHBondContact CB-O 3.25Å; F549-F551 HydrophobicContact CB-CB 4.41Å; F549-F551 PolarHBondContact O-N 2.96Å; F551-P553 HydrophobicContact CD1-CB 4.33Å; F551-P553 HydrophobicContact CD1-CG 3.52Å; F551-P553 HydrophobicContact CE1-CB 3.93Å; F551-P553 HydrophobicContact CE1-CG 3.57Å; F551-P553 HydrophobicContact CG-CG 4.23Å; F551-P553 HydrophobicContact CZ-CB 4.28Å; F551-P553 HydrophobicContact CZ-CG 4.32Å; F551-P553 WeakPolarHBondContact O-CD 3.31Å; F551-Y594 HydrophobicContact CE1-CE1 4.35Å; F551-Y594 HydrophobicContact CZ-CD1 4.36Å; F551-Y594 HydrophobicContact CZ-CE1 4.11Å; F551-L597 HydrophobicContact CB-CD1 4.32Å; F551-L597 HydrophobicContact CB-CD2 3.8Å; F551-L597 HydrophobicContact CB-CG 3.89Å; F551-L597 HydrophobicContact CD1-CD1 3.91Å; F551-L597 HydrophobicContact CD1-CG 4.41Å; F551-L597 HydrophobicContact CD2-CD1 4.2Å; F551-L597 HydrophobicContact CD2-CG 4.26Å; F551-L597 HydrophobicContact CE1-CD1 4.22Å; F551-L597 HydrophobicContact CE2-CD1 4.49Å; F551-L597 HydrophobicContact CG-CD1 3.91Å; F551-L597 HydrophobicContact CG-CD2 4.31Å; F551-L597 HydrophobicContact CG-CG 3.97Å
552	D	38.4	Very low	36.6	Very low	45 Å²	45	62.8 Å²	62.8	24%	0.241	33%	0.331	C	S	.	.			trans	-103.5	90.1	160.7	-166.5	-22.3	0	0	0	109.2	F500 W554 K555 N556	F500-D552 HydrophobicContact CE1-CB 4.41Å; D552-W554 PolarHBondContact O-N 3.37Å; D552-W554 WeakPolarHBondContact OD1-CA 3.25Å; D552-W554 WeakPolarHBondContact OD1-CB 3.45Å; D552-W554 PolarHBondContact OD1-N 3.13Å; D552-K555 HydrophobicContact CB-CB 3.98Å; D552-K555 PolarHBondContact OD1-N 2.85Å; D552-N556 PolarHBondContact O-N 2.91Å
553	P	36.8	Very low	37.3	Very low	11 Å²	11	63.9 Å²	63.9	7%	0.071	34%	0.339	C	S	.	.	H	α-helix	trans	-51.7	-25.6	172.2	-21.2	21.3	0	0	0	114	M504 V508 F551 L557	M504-P553 HydrophobicContact CB-CB 4.43Å; M504-P553 HydrophobicContact CB-CG 3.72Å; V508-P553 HydrophobicContact CG2-CB 3.71Å; F551-P553 HydrophobicContact CD1-CB 4.33Å; F551-P553 HydrophobicContact CD1-CG 3.52Å; F551-P553 HydrophobicContact CE1-CB 3.93Å; F551-P553 HydrophobicContact CE1-CG 3.57Å; F551-P553 HydrophobicContact CG-CG 4.23Å; F551-P553 HydrophobicContact CZ-CB 4.28Å; F551-P553 HydrophobicContact CZ-CG 4.32Å; F551-P553 WeakPolarHBondContact O-CD 3.31Å; P553-L557 WeakPolarHBondContact O-CB 3.42Å; P553-L557 PolarHBondContact O-N 3.35Å
554	W	35.8	Very low	38.1	Very low	41 Å²	41	58 Å²	58	16%	0.155	31%	0.311	C	S	.	.	H	α-helix	trans	-89.4	-47.5	-171.9	-64.7	75.1	0	0	0	110.8	M504 H507 V508 L511 D552 N556 L557 E558	M504-W554 HydrophobicContact CE-CB 3.69Å; M504-W554 HydrophobicContact CE-CD2 4.49Å; M504-W554 HydrophobicContact CE-CG 3.5Å; M504-W554 VanDerWaalsContact CE-CG 3.5Å; M504-W554 HydrophobicContact CG-CG 4.45Å; M504-W554 PolarHBondContact O-NE1 3.29Å; M504-W554 HydrophobicContact SD-CG 3.92Å; H507-W554 HydrophobicContact CB-CH2 4.04Å; H507-W554 HydrophobicContact CB-CZ2 3.36Å; H507-W554 AromaticContact CD2-CE2 3.86Å; H507-W554 AromaticContact CD2-CH2 3.22Å; H507-W554 WeakPolarHBondContact CD2-CH2 3.36Å; H507-W554 AromaticContact CD2-CZ2 3.23Å; H507-W554 WeakPolarHBondContact CD2-CZ2 3.26Å; H507-W554 AromaticContact CD2-CZ3 3.85Å; H507-W554 AromaticContact CG-CH2 3.66Å; H507-W554 AromaticContact CG-CZ2 3.47Å; H507-W554 VanDerWaalsContact CG-CZ2 3.47Å; V508-W554 HydrophobicContact CB-CZ2 4.19Å; V508-W554 HydrophobicContact CG2-CD2 4.32Å; V508-W554 VanDerWaalsContact CG2-CE2 3.48Å; V508-W554 HydrophobicContact CG2-CH2 4.1Å; V508-W554 HydrophobicContact CG2-CZ2 3.36Å; V508-W554 VanDerWaalsContact N-CZ2 3.26Å; L511-W554 HydrophobicContact CD1-CH2 3.65Å; L511-W554 HydrophobicContact CD1-CZ3 3.71Å; D552-W554 PolarHBondContact O-N 3.37Å; D552-W554 WeakPolarHBondContact OD1-CA 3.25Å; D552-W554 WeakPolarHBondContact OD1-CB 3.45Å; D552-W554 PolarHBondContact OD1-N 3.13Å; W554-N556 PolarHBondContact O-N 3.49Å; W554-N556 VanDerWaalsContact O-N 3.12Å; W554-L557 HydrophobicContact CZ3-CD2 4.48Å; W554-L557 CarbonylContact O-C 3.56Å; W554-L557 PolarHBondContact O-N 3.1Å; W554-E558 WeakPolarHBondContact O-CA 3.44Å; W554-E558 WeakPolarHBondContact O-CB 3.25Å; W554-E558 PolarHBondContact O-N 3.42Å
555	K	41.8	Very low	38.2	Very low	122 Å²	122	57 Å²	57	53%	0.53	30%	0.304	S	S	.	.	H	α-helix	trans	-55.6	-35.3	172.9	-165	168.5	-173.5	176.6	0	110.8	D552 N559	D552-K555 HydrophobicContact CB-CB 3.98Å; D552-K555 PolarHBondContact OD1-N 2.85Å; K555-N559 WeakPolarHBondContact O-CB 3.43Å; K555-N559 PolarHBondContact O-N 3.49Å; K555-N559 PolarHBondContact O-ND2 3.26Å
556	N	42.8	Very low	38.8	Very low	30 Å²	30	57 Å²	57	16%	0.16	30%	0.3	C	S	.	.	H	α-helix	trans	-78.9	-30.4	176.2	-66.1	9	0	0	0	113.6	D552 W554 A560 S591 L593	D552-N556 PolarHBondContact O-N 2.91Å; W554-N556 PolarHBondContact O-N 3.49Å; W554-N556 VanDerWaalsContact O-N 3.12Å; N556-A560 WeakPolarHBondContact O-CB 3.18Å; N556-A560 PolarHBondContact O-N 3.17Å; N556-A560 VanDerWaalsContact O-N 3.07Å; N556-S591 WeakPolarHBondContact CB-O 3.25Å; N556-L593 PolarHBondContact ND2-O 3.3Å
557	L	41.8	Very low	39.4	Very low	18 Å²	18	59.7 Å²	59.7	9%	0.094	30%	0.297	C	S	.	.	H	α-helix	trans	-80	-43.6	176	-178.7	64.7	0	0	0	112.8	V508 P553 W554 A560 F561 I586 F592	V508-L557 HydrophobicContact CG2-CD2 4.17Å; P553-L557 WeakPolarHBondContact O-CB 3.42Å; P553-L557 PolarHBondContact O-N 3.35Å; W554-L557 HydrophobicContact CZ3-CD2 4.48Å; W554-L557 CarbonylContact O-C 3.56Å; W554-L557 PolarHBondContact O-N 3.1Å; L557-A560 CarbonylContact O-C 3.54Å; L557-A560 WeakPolarHBondContact O-CA 3.4Å; L557-A560 WeakPolarHBondContact O-CB 3.43Å; L557-A560 PolarHBondContact O-N 3.32Å; L557-A560 VanDerWaalsContact O-N 3.16Å; L557-F561 HydrophobicContact CD1-CD2 4.11Å; L557-F561 HydrophobicContact CD1-CE2 3.74Å; L557-F561 HydrophobicContact CD2-CE2 4.36Å; L557-F561 HydrophobicContact CG-CD2 3.96Å; L557-F561 HydrophobicContact CG-CE2 3.81Å; L557-F561 WeakPolarHBondContact O-CD2 3.23Å; L557-F561 PolarHBondContact O-N 2.72Å; L557-I586 HydrophobicContact CD1-CD1 4.48Å; L557-I586 HydrophobicContact CD1-CG2 3.94Å; L557-F592 HydrophobicContact CD1-CE2 4.35Å
558	E	40.7	Very low	40	Very low	114 Å²	114	56.2 Å²	56.2	53%	0.533	28%	0.278	S	S	.	.	H	α-helix	trans	-59.5	-51.7	170.9	-178.1	-171	-179.4	0	0	110.1	W554 A560 F561 N562	W554-E558 WeakPolarHBondContact O-CA 3.44Å; W554-E558 WeakPolarHBondContact O-CB 3.25Å; W554-E558 PolarHBondContact O-N 3.42Å; E558-A560 PolarHBondContact O-N 3.25Å; E558-F561 CarbonylContact O-C 3.52Å; E558-F561 WeakPolarHBondContact O-CA 3.28Å; E558-F561 WeakPolarHBondContact O-CB 3.26Å; E558-F561 PolarHBondContact O-N 2.9Å; E558-N562 VanDerWaalsContact O-CG 3.27Å; E558-N562 PolarHBondContact O-N 2.82Å; E558-N562 PolarHBondContact O-ND2 3.31Å
559	N	47.2	Very low	39.9	Very low	53 Å²	53	58.6 Å²	58.6	28%	0.283	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-28	173.4	-69.6	-20.3	0	0	0	111.9	K555 N562 D563 S591	K555-N559 WeakPolarHBondContact O-CB 3.43Å; K555-N559 PolarHBondContact O-N 3.49Å; K555-N559 PolarHBondContact O-ND2 3.26Å; N559-N562 PolarHBondContact O-N 3.11Å; N559-D563 WeakPolarHBondContact O-CB 3.44Å; N559-D563 PolarHBondContact O-N 2.94Å; N559-S591 VanDerWaalsContact C-CB 3.4Å; N559-S591 WeakPolarHBondContact CB-OG 3.44Å; N559-S591 WeakPolarHBondContact O-CB 3.21Å; N559-S591 PolarHBondContact O-OG 3.34Å
560	A	46.5	Very low	39.8	Very low	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-72.5	-34.8	170.5	0	0	0	0	0	113.3	N556 L557 E558 N562 M564 I586 S589 F592	N556-A560 WeakPolarHBondContact O-CB 3.18Å; N556-A560 PolarHBondContact O-N 3.17Å; N556-A560 VanDerWaalsContact O-N 3.07Å; L557-A560 CarbonylContact O-C 3.54Å; L557-A560 WeakPolarHBondContact O-CA 3.4Å; L557-A560 WeakPolarHBondContact O-CB 3.43Å; L557-A560 PolarHBondContact O-N 3.32Å; L557-A560 VanDerWaalsContact O-N 3.16Å; E558-A560 PolarHBondContact O-N 3.25Å; A560-N562 VanDerWaalsContact C-N 3.31Å; A560-M564 WeakPolarHBondContact O-CB 3.25Å; A560-M564 VanDerWaalsContact O-CG 3.31Å; A560-M564 WeakPolarHBondContact O-CG 3.48Å; A560-M564 PolarHBondContact O-N 2.88Å; A560-I586 HydrophobicContact CB-CG2 4.32Å; A560-S589 VanDerWaalsContact CA-OG 3.29Å; A560-S589 WeakPolarHBondContact CA-OG 3.46Å; A560-S589 WeakPolarHBondContact CB-OG 3.48Å; A560-F592 HydrophobicContact CB-CB 4.05Å; A560-F592 HydrophobicContact CB-CD2 4.18Å
561	F	42.4	Very low	40	Very low	84 Å²	84	61.4 Å²	61.4	37%	0.368	32%	0.318	S	S	.	.	H	α-helix	trans	-67.5	-31.3	168.3	-83.7	-70.1	0	0	0	111.6	L557 E558 M564 S565 I586	L557-F561 HydrophobicContact CD1-CD2 4.11Å; L557-F561 HydrophobicContact CD1-CE2 3.74Å; L557-F561 HydrophobicContact CD2-CE2 4.36Å; L557-F561 HydrophobicContact CG-CD2 3.96Å; L557-F561 HydrophobicContact CG-CE2 3.81Å; L557-F561 WeakPolarHBondContact O-CD2 3.23Å; L557-F561 PolarHBondContact O-N 2.72Å; E558-F561 CarbonylContact O-C 3.52Å; E558-F561 WeakPolarHBondContact O-CA 3.28Å; E558-F561 WeakPolarHBondContact O-CB 3.26Å; E558-F561 PolarHBondContact O-N 2.9Å; F561-M564 HydrophobicContact CD1-CE 3.33Å; F561-M564 HydrophobicContact CE1-CE 3.55Å; F561-M564 HydrophobicContact CG-CE 4.03Å; F561-M564 HydrophobicContact CZ-CE 4.39Å; F561-S565 WeakPolarHBondContact O-CA 3.41Å; F561-S565 WeakPolarHBondContact O-CB 3.42Å; F561-S565 PolarHBondContact O-N 3.08Å; F561-I586 HydrophobicContact CE1-CD1 4.46Å; F561-I586 HydrophobicContact CZ-CD1 4.05Å
562	N	46.5	Very low	39.6	Very low	82 Å²	82	63.5 Å²	63.5	44%	0.439	35%	0.348	S	S	.	.	H	α-helix	trans	-74.2	-42.8	173.4	-67.2	-31.8	0	0	0	112.1	E558 N559 A560 M564 S565 A566	E558-N562 VanDerWaalsContact O-CG 3.27Å; E558-N562 PolarHBondContact O-N 2.82Å; E558-N562 PolarHBondContact O-ND2 3.31Å; N559-N562 PolarHBondContact O-N 3.11Å; A560-N562 VanDerWaalsContact C-N 3.31Å; N562-M564 VanDerWaalsContact C-N 3.29Å; N562-M564 PolarHBondContact O-N 2.8Å; N562-S565 PolarHBondContact O-N 2.87Å; N562-A566 VanDerWaalsContact O-CB 3.32Å; N562-A566 WeakPolarHBondContact O-CB 3.08Å; N562-A566 PolarHBondContact O-N 3.48Å
563	D	50	Low	39.2	Very low	53 Å²	53	68.3 Å²	68.3	28%	0.283	37%	0.367	S	S	.	.	H	α-helix	trans	-54.5	-47.1	169.4	-81.8	18.4	0	0	0	110.3	N559 K567 S589 R590 S591	N559-D563 WeakPolarHBondContact O-CB 3.44Å; N559-D563 PolarHBondContact O-N 2.94Å; D563-K567 VanDerWaalsContact O-CB 3.23Å; D563-K567 WeakPolarHBondContact O-CB 3.45Å; D563-K567 PolarHBondContact O-N 3.38Å; D563-S589 VanDerWaalsContact CG-OG 3.28Å; D563-S589 WeakPolarHBondContact OD2-CB 3.37Å; D563-S589 PolarHBondContact OD2-OG 2.9Å; D563-R590 PolarHBondContact OD2-N 3.15Å; D563-S591 PolarHBondContact OD1-OG 3.31Å; D563-S591 PolarHBondContact OD2-N 2.88Å; D563-S591 VanDerWaalsContact OD2-N 3.08Å; D563-S591 PolarHBondContact OD2-OG 2.92Å
564	M	48	Very low	38.9	Very low	8 Å²	8	72.9 Å²	72.9	4%	0.039	40%	0.398	C	S	.	.	H	α-helix	trans	-65.9	-49.9	176.2	-77.8	-164.9	-53.1	0	0	112.2	A560 F561 N562 A566 K567 F568 L582 H585 I586	A560-M564 WeakPolarHBondContact O-CB 3.25Å; A560-M564 VanDerWaalsContact O-CG 3.31Å; A560-M564 WeakPolarHBondContact O-CG 3.48Å; A560-M564 PolarHBondContact O-N 2.88Å; F561-M564 HydrophobicContact CD1-CE 3.33Å; F561-M564 HydrophobicContact CE1-CE 3.55Å; F561-M564 HydrophobicContact CG-CE 4.03Å; F561-M564 HydrophobicContact CZ-CE 4.39Å; N562-M564 VanDerWaalsContact C-N 3.29Å; N562-M564 PolarHBondContact O-N 2.8Å; M564-A566 PolarHBondContact O-N 2.82Å; M564-K567 CarbonylContact O-C 3.55Å; M564-K567 WeakPolarHBondContact O-CA 3.22Å; M564-K567 WeakPolarHBondContact O-CB 3.48Å; M564-K567 PolarHBondContact O-N 3.12Å; M564-F568 HydrophobicContact CB-CD2 4.08Å; M564-F568 HydrophobicContact CB-CE2 3.89Å; M564-F568 HydrophobicContact CG-CE2 4.23Å; M564-F568 WeakPolarHBondContact O-CD2 3.14Å; M564-F568 PolarHBondContact O-N 3.21Å; M564-F568 HydrophobicContact SD-CE2 4.32Å; M564-L582 HydrophobicContact CE-CD1 3.89Å; M564-L582 HydrophobicContact CE-CG 4.37Å; M564-L582 HydrophobicContact SD-CD1 3.86Å; M564-L582 HydrophobicContact SD-CG 4.4Å; M564-H585 HydrophobicContact CG-CB 4.07Å; M564-H585 HydrophobicContact SD-CB 3.54Å; M564-H585 VanDerWaalsContact SD-CB 3.54Å; M564-I586 HydrophobicContact CE-CD1 4.01Å; M564-I586 HydrophobicContact CE-CG1 3.37Å; M564-I586 HydrophobicContact SD-CG1 3.72Å
565	S	36.4	Very low	38.7	Very low	66 Å²	66	75 Å²	75	46%	0.462	41%	0.412	S	S	.	.	H	α-helix	trans	-56.3	-49.9	-179.1	-177.5	0	0	0	0	110.4	F561 N562 K567 F568 S569	F561-S565 WeakPolarHBondContact O-CA 3.41Å; F561-S565 WeakPolarHBondContact O-CB 3.42Å; F561-S565 PolarHBondContact O-N 3.08Å; N562-S565 PolarHBondContact O-N 2.87Å; S565-K567 PolarHBondContact O-N 2.83Å; S565-F568 PolarHBondContact O-N 3.38Å; S565-S569 WeakPolarHBondContact O-CB 3.27Å; S565-S569 PolarHBondContact O-N 3.39Å; S565-S569 PolarHBondContact O-OG 2.99Å
566	A	40	Very low	38	Very low	42 Å²	42	78 Å²	78	35%	0.347	43%	0.427	S	S	.	.	H	α-helix	trans	-56.7	-47.7	172.1	0	0	0	0	0	111.9	N562 M564 F568 S569 F570	N562-A566 VanDerWaalsContact O-CB 3.32Å; N562-A566 WeakPolarHBondContact O-CB 3.08Å; N562-A566 PolarHBondContact O-N 3.48Å; M564-A566 PolarHBondContact O-N 2.82Å; A566-F568 VanDerWaalsContact C-N 3.31Å; A566-F568 PolarHBondContact O-N 3.38Å; A566-S569 PolarHBondContact O-N 2.86Å; A566-F570 HydrophobicContact CB-CD2 4.39Å; A566-F570 WeakPolarHBondContact O-CB 3.21Å; A566-F570 WeakPolarHBondContact O-CD2 3.48Å; A566-F570 PolarHBondContact O-N 2.78Å
567	K	41.5	Very low	37.3	Very low	111 Å²	111	78.8 Å²	78.8	48%	0.483	44%	0.442	S	S	.	.	H	α-helix	trans	-60.5	-36	178.4	-171.4	-172.9	-179.2	-170.1	0	113	D563 M564 S565 S571 H585	D563-K567 VanDerWaalsContact O-CB 3.23Å; D563-K567 WeakPolarHBondContact O-CB 3.45Å; D563-K567 PolarHBondContact O-N 3.38Å; M564-K567 CarbonylContact O-C 3.55Å; M564-K567 WeakPolarHBondContact O-CA 3.22Å; M564-K567 WeakPolarHBondContact O-CB 3.48Å; M564-K567 PolarHBondContact O-N 3.12Å; S565-K567 PolarHBondContact O-N 2.83Å; K567-S571 VanDerWaalsContact O-CB 3.24Å; K567-S571 WeakPolarHBondContact O-CB 3.47Å; K567-S571 PolarHBondContact O-N 2.78Å; K567-S571 PolarHBondContact O-OG 2.85Å; K567-H585 PolarHBondContact NZ-CD2 3.38Å; K567-H585 PolarHBondContact NZ-NE2 3.05Å
568	F	38.2	Very low	36.5	Very low	44 Å²	44	85.1 Å²	85.1	19%	0.193	47%	0.469	C	S	.	.	H	α-helix	trans	-77.4	-44.7	176.9	-68.8	-60.8	0	0	0	111.3	M564 S565 A566 F570 S571 G572 K573 I575	M564-F568 HydrophobicContact CB-CD2 4.08Å; M564-F568 HydrophobicContact CB-CE2 3.89Å; M564-F568 HydrophobicContact CG-CE2 4.23Å; M564-F568 WeakPolarHBondContact O-CD2 3.14Å; M564-F568 PolarHBondContact O-N 3.21Å; M564-F568 HydrophobicContact SD-CE2 4.32Å; S565-F568 PolarHBondContact O-N 3.38Å; A566-F568 VanDerWaalsContact C-N 3.31Å; A566-F568 PolarHBondContact O-N 3.38Å; F568-F570 VanDerWaalsContact C-N 3.3Å; F568-F570 PolarHBondContact O-N 2.79Å; F568-S571 PolarHBondContact O-N 2.76Å; F568-S571 VanDerWaalsContact O-N 3.1Å; F568-S571 PolarHBondContact O-OG 3.31Å; F568-G572 PolarHBondContact O-N 3.09Å; F568-K573 HydrophobicContact CD1-CB 4.46Å; F568-K573 WeakPolarHBondContact CD1-O 3.42Å; F568-I575 HydrophobicContact CD1-CG1 4.14Å; F568-I575 HydrophobicContact CD2-CD1 3.88Å; F568-I575 HydrophobicContact CD2-CG1 4.31Å; F568-I575 HydrophobicContact CE1-CD1 4.17Å; F568-I575 HydrophobicContact CE1-CG1 3.79Å; F568-I575 HydrophobicContact CE2-CD1 3.42Å; F568-I575 VanDerWaalsContact CE2-CD1 3.42Å; F568-I575 HydrophobicContact CE2-CG1 3.98Å; F568-I575 HydrophobicContact CG-CD1 4.46Å; F568-I575 HydrophobicContact CG-CG1 4.41Å; F568-I575 HydrophobicContact CZ-CD1 3.59Å; F568-I575 HydrophobicContact CZ-CG1 3.72Å
569	S	28.4	Very low	36.1	Very low	93 Å²	93	80.7 Å²	80.7	65%	0.65	45%	0.451	S	S	*	.	H	α-helix	trans	-55.2	-40.6	172.3	-59.6	0	0	0	0	113	S565 A566	S565-S569 WeakPolarHBondContact O-CB 3.27Å; S565-S569 PolarHBondContact O-N 3.39Å; S565-S569 PolarHBondContact O-OG 2.99Å; A566-S569 PolarHBondContact O-N 2.86Å
570	F	27.4	Very low	35.3	Very low	188 Å²	188	82.6 Å²	82.6	83%	0.825	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-9.7	178.4	-74.7	-61.8	0	0	0	114.8	A566 F568	A566-F570 HydrophobicContact CB-CD2 4.39Å; A566-F570 WeakPolarHBondContact O-CB 3.21Å; A566-F570 WeakPolarHBondContact O-CD2 3.48Å; A566-F570 PolarHBondContact O-N 2.78Å; F568-F570 VanDerWaalsContact C-N 3.3Å; F568-F570 PolarHBondContact O-N 2.79Å
571	S	34	Very low	34.8	Very low	54 Å²	54	87.5 Å²	87.5	38%	0.378	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-11.3	179	61.4	0	0	0	0	114.7	K567 F568 K573	K567-S571 VanDerWaalsContact O-CB 3.24Å; K567-S571 WeakPolarHBondContact O-CB 3.47Å; K567-S571 PolarHBondContact O-N 2.78Å; K567-S571 PolarHBondContact O-OG 2.85Å; F568-S571 PolarHBondContact O-N 2.76Å; F568-S571 VanDerWaalsContact O-N 3.1Å; F568-S571 PolarHBondContact O-OG 3.31Å; S571-K573 PolarHBondContact O-N 3.38Å
572	G	26.6	Very low	34.7	Very low	75 Å²	75	85 Å²	85	77%	0.773	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	20.6	-178.1	0	0	0	0	0	113.5	F568	F568-G572 PolarHBondContact O-N 3.09Å
573	K	31.5	Very low	34.4	Very low	145 Å²	145	84.9 Å²	84.9	63%	0.63	48%	0.476	S	S	*	.			trans	-102.3	118	-175.9	-64.6	-171.9	178.9	-167.5	0	111.2	F568 S571	F568-K573 HydrophobicContact CD1-CB 4.46Å; F568-K573 WeakPolarHBondContact CD1-O 3.42Å; S571-K573 PolarHBondContact O-N 3.38Å
574	C	29.3	Very low	34	Very low	108 Å²	108	86.7 Å²	86.7	73%	0.73	48%	0.483	S	S	*	.			trans	-66.3	152.7	162.8	-63	0	0	0	0	110.5	E576	C574-E576 HydrophobicContact CB-CG 4.44Å; C574-E576 PolarHBondContact O-N 3.15Å
575	I	31.7	Very low	33.8	Very low	86 Å²	86	88.4 Å²	88.4	44%	0.441	49%	0.491	S	S	.	.			trans	-91.4	72.9	175.1	-47.5	-180	0	0	0	109	F568 G577 L582	F568-I575 HydrophobicContact CD1-CG1 4.14Å; F568-I575 HydrophobicContact CD2-CD1 3.88Å; F568-I575 HydrophobicContact CD2-CG1 4.31Å; F568-I575 HydrophobicContact CE1-CD1 4.17Å; F568-I575 HydrophobicContact CE1-CG1 3.79Å; F568-I575 HydrophobicContact CE2-CD1 3.42Å; F568-I575 VanDerWaalsContact CE2-CD1 3.42Å; F568-I575 HydrophobicContact CE2-CG1 3.98Å; F568-I575 HydrophobicContact CG-CD1 4.46Å; F568-I575 HydrophobicContact CG-CG1 4.41Å; F568-I575 HydrophobicContact CZ-CD1 3.59Å; F568-I575 HydrophobicContact CZ-CG1 3.72Å; I575-G577 PolarHBondContact O-N 3.48Å; I575-L582 HydrophobicContact CD1-CD1 3.75Å
576	E	26.9	Very low	34.1	Very low	185 Å²	185	86.2 Å²	86.2	86%	0.864	47%	0.473	S	S	*	.			trans	-85.6	87.4	167.9	-67	-175.7	168.7	0	0	109	C574	C574-E576 HydrophobicContact CB-CG 4.44Å; C574-E576 PolarHBondContact O-N 3.15Å
577	G	27.4	Very low	34.2	Very low	46 Å²	46	87.7 Å²	87.7	47%	0.474	48%	0.481	S	S	.	.	S	Bend	trans	177.3	175.9	-174.7	0	0	0	0	0	115.6	I575	I575-G577 PolarHBondContact O-N 3.48Å
578	F	26	Very low	34.3	Very low	150 Å²	150	89.6 Å²	89.6	66%	0.658	49%	0.485	S	S	*	.			trans	-67.7	151	-174.6	-98.4	-106.7	0	0	0	112.7	T580 E581	F578-T580 PolarHBondContact O-N 2.81Å; F578-E581 PolarHBondContact O-N 3.02Å
579	P	32.9	Very low	34.5	Very low	22 Å²	22	88.3 Å²	88.3	14%	0.143	48%	0.482	C	S	.	.	H	α-helix	trans	-53.4	-24.4	172.1	23.7	-37.2	0	0	0	113.5	Y515 F519 E581 L582 I583	Y515-P579 HydrophobicContact CD1-CB 4.43Å; Y515-P579 HydrophobicContact CE1-CB 3.43Å; Y515-P579 VanDerWaalsContact CE1-CB 3.43Å; Y515-P579 WeakPolarHBondContact OH-CB 3.3Å; F519-P579 HydrophobicContact CD1-CG 4.31Å; F519-P579 HydrophobicContact CD2-CB 4.32Å; F519-P579 HydrophobicContact CD2-CG 4.06Å; F519-P579 HydrophobicContact CE1-CG 3.86Å; F519-P579 HydrophobicContact CE2-CB 3.62Å; F519-P579 HydrophobicContact CE2-CG 3.6Å; F519-P579 HydrophobicContact CG-CG 4.43Å; F519-P579 HydrophobicContact CZ-CB 3.81Å; F519-P579 HydrophobicContact CZ-CG 3.5Å; P579-E581 VanDerWaalsContact C-N 3.29Å; P579-E581 PolarHBondContact O-N 3.34Å; P579-L582 PolarHBondContact O-N 2.92Å; P579-I583 WeakPolarHBondContact O-CB 3.14Å; P579-I583 WeakPolarHBondContact O-CD1 3.36Å; P579-I583 VanDerWaalsContact O-CG1 3.23Å; P579-I583 WeakPolarHBondContact O-CG1 3.23Å; P579-I583 PolarHBondContact O-N 2.74Å
580	T	30.4	Very low	35.2	Very low	92 Å²	92	93.4 Å²	93.4	56%	0.564	49%	0.487	S	S	*	.	H	α-helix	trans	-58.2	-37.3	174.9	-43.1	0	0	0	0	112.7	F578 I583 E584	F578-T580 PolarHBondContact O-N 2.81Å; T580-I583 PolarHBondContact O-N 3.01Å; T580-E584 WeakPolarHBondContact O-CB 3.5Å; T580-E584 PolarHBondContact O-N 3.01Å
581	E	36.2	Very low	35.7	Very low	104 Å²	104	85.9 Å²	85.9	49%	0.486	46%	0.457	S	S	.	.	H	α-helix	trans	-77.5	-36.4	-177	-67.9	171.4	-152.8	0	0	111.8	F578 P579 E584 H585	F578-E581 PolarHBondContact O-N 3.02Å; P579-E581 VanDerWaalsContact C-N 3.29Å; P579-E581 PolarHBondContact O-N 3.34Å; E581-E584 CarbonylContact O-C 3.57Å; E581-E584 PolarHBondContact O-N 2.85Å; E581-H585 WeakPolarHBondContact O-CB 3.39Å; E581-H585 PolarHBondContact O-N 3.28Å; E581-H585 PolarHBondContact O-ND1 2.88Å
582	L	40.1	Very low	36	Very low	30 Å²	30	85.9 Å²	85.9	16%	0.157	45%	0.451	C	S	.	.	H	α-helix	trans	-61.4	-47.2	168.4	-170.1	83	0	0	0	110.4	Y515 M564 I575 P579 E584 H585 I586	Y515-L582 WeakPolarHBondContact OH-CD2 3.5Å; M564-L582 HydrophobicContact CE-CD1 3.89Å; M564-L582 HydrophobicContact CE-CG 4.37Å; M564-L582 HydrophobicContact SD-CD1 3.86Å; M564-L582 HydrophobicContact SD-CG 4.4Å; I575-L582 HydrophobicContact CD1-CD1 3.75Å; P579-L582 PolarHBondContact O-N 2.92Å; L582-E584 VanDerWaalsContact C-N 3.3Å; L582-E584 PolarHBondContact O-N 3.32Å; L582-H585 PolarHBondContact O-N 2.91Å; L582-I586 HydrophobicContact CD2-CD1 4.29Å; L582-I586 HydrophobicContact CG-CD1 4.12Å; L582-I586 WeakPolarHBondContact O-CG1 3.41Å; L582-I586 PolarHBondContact O-N 3.46Å
583	I	39.7	Very low	36.3	Very low	81 Å²	81	87.1 Å²	87.1	42%	0.415	44%	0.439	S	S	.	.	H	α-helix	trans	-61.6	-38.7	175.9	-69.7	164.6	0	0	0	111.1	Y515 P579 T580 H585 S587	Y515-I583 HydrophobicContact CE1-CD1 4.3Å; P579-I583 WeakPolarHBondContact O-CB 3.14Å; P579-I583 WeakPolarHBondContact O-CD1 3.36Å; P579-I583 VanDerWaalsContact O-CG1 3.23Å; P579-I583 WeakPolarHBondContact O-CG1 3.23Å; P579-I583 PolarHBondContact O-N 2.74Å; T580-I583 PolarHBondContact O-N 3.01Å; I583-H585 VanDerWaalsContact C-N 3.29Å; I583-H585 PolarHBondContact O-N 2.84Å; I583-S587 WeakPolarHBondContact O-CB 3.28Å; I583-S587 PolarHBondContact O-N 3.41Å; I583-S587 PolarHBondContact O-OG 3.06Å
584	E	41.8	Very low	36.4	Very low	91 Å²	91	84.9 Å²	84.9	43%	0.425	43%	0.427	S	S	.	.	H	α-helix	trans	-71.5	-22.3	175	-146.3	-171.8	-152.3	0	0	112.8	T580 E581 L582 S587 R588	T580-E584 WeakPolarHBondContact O-CB 3.5Å; T580-E584 PolarHBondContact O-N 3.01Å; E581-E584 CarbonylContact O-C 3.57Å; E581-E584 PolarHBondContact O-N 2.85Å; L582-E584 VanDerWaalsContact C-N 3.3Å; L582-E584 PolarHBondContact O-N 3.32Å; E584-S587 WeakPolarHBondContact CA-OG 3.48Å; E584-R588 VanDerWaalsContact O-CB 3.31Å; E584-R588 WeakPolarHBondContact O-CB 3.43Å; E584-R588 VanDerWaalsContact O-CD 3.28Å; E584-R588 WeakPolarHBondContact O-CD 3.5Å; E584-R588 WeakPolarHBondContact O-CG 3.26Å; E584-R588 PolarHBondContact O-N 3.45Å; E584-R588 IonicContact OE1-CZ 3.1Å; E584-R588 IonicContact OE1-NH1 2.67Å; E584-R588 IonicContact OE1-NH2 2.87Å; E584-R588 PolarHBondContact OE1-NH2 2.92Å; E584-R588 IonicContact OE2-CZ 3.38Å; E584-R588 IonicContact OE2-NH1 3.63Å; E584-R588 PolarHBondContact OE2-NH1 3.01Å; E584-R588 IonicContact OE2-NH2 3.38Å; E584-R588 PolarHBondContact OE2-NH2 2.88Å
585	H	42.9	Very low	36.3	Very low	44 Å²	44	83.9 Å²	83.9	20%	0.204	42%	0.418	C	S	.	.	H	α-helix	trans	-81.5	-44.4	172.2	-83.7	66.6	0	0	0	112.3	M564 K567 E581 L582 I583 S587 R588 S589	M564-H585 HydrophobicContact CG-CB 4.07Å; M564-H585 HydrophobicContact SD-CB 3.54Å; M564-H585 VanDerWaalsContact SD-CB 3.54Å; K567-H585 PolarHBondContact NZ-CD2 3.38Å; K567-H585 PolarHBondContact NZ-NE2 3.05Å; E581-H585 WeakPolarHBondContact O-CB 3.39Å; E581-H585 PolarHBondContact O-N 3.28Å; E581-H585 PolarHBondContact O-ND1 2.88Å; L582-H585 PolarHBondContact O-N 2.91Å; I583-H585 VanDerWaalsContact C-N 3.29Å; I583-H585 PolarHBondContact O-N 2.84Å; H585-S587 PolarHBondContact O-N 3.4Å; H585-R588 CarbonylContact O-C 3.54Å; H585-R588 PolarHBondContact O-N 3.28Å; H585-R588 VanDerWaalsContact O-N 3.14Å; H585-S589 PolarHBondContact O-N 2.84Å
586	I	44.3	Very low	36	Very low	20 Å²	20	86.8 Å²	86.8	10%	0.103	43%	0.429	C	S	.	.	H	α-helix	trans	-56.8	-50.3	172	-66.1	166.8	0	0	0	109.6	L557 A560 F561 M564 L582 R588 S589 F592	L557-I586 HydrophobicContact CD1-CD1 4.48Å; L557-I586 HydrophobicContact CD1-CG2 3.94Å; A560-I586 HydrophobicContact CB-CG2 4.32Å; F561-I586 HydrophobicContact CE1-CD1 4.46Å; F561-I586 HydrophobicContact CZ-CD1 4.05Å; M564-I586 HydrophobicContact CE-CD1 4.01Å; M564-I586 HydrophobicContact CE-CG1 3.37Å; M564-I586 HydrophobicContact SD-CG1 3.72Å; L582-I586 HydrophobicContact CD2-CD1 4.29Å; L582-I586 HydrophobicContact CG-CD1 4.12Å; L582-I586 WeakPolarHBondContact O-CG1 3.41Å; L582-I586 PolarHBondContact O-N 3.46Å; I586-R588 PolarHBondContact O-N 3.41Å; I586-R588 VanDerWaalsContact O-N 3.16Å; I586-S589 VanDerWaalsContact O-CB 3.32Å; I586-S589 WeakPolarHBondContact O-CB 3.33Å; I586-S589 PolarHBondContact O-N 3Å; I586-S589 VanDerWaalsContact O-N 3.11Å; I586-F592 HydrophobicContact CG2-CD1 4.49Å; I586-F592 HydrophobicContact CG2-CD2 3.65Å; I586-F592 HydrophobicContact CG2-CE1 4.45Å; I586-F592 HydrophobicContact CG2-CE2 3.61Å; I586-F592 HydrophobicContact CG2-CG 4.11Å; I586-F592 HydrophobicContact CG2-CZ 4.03Å; I586-F592 WeakPolarHBondContact O-CB 3.44Å; I586-F592 VanDerWaalsContact O-CG 3.31Å; I586-F592 WeakPolarHBondContact O-CG 3.42Å
587	S	41.5	Very low	36	Very low	72 Å²	72	81.3 Å²	81.3	50%	0.503	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-6.4	179.7	57.2	0	0	0	0	115.4	I583 E584 H585	I583-S587 WeakPolarHBondContact O-CB 3.28Å; I583-S587 PolarHBondContact O-N 3.41Å; I583-S587 PolarHBondContact O-OG 3.06Å; E584-S587 WeakPolarHBondContact CA-OG 3.48Å; H585-S587 PolarHBondContact O-N 3.4Å
588	R	43.2	Very low	35.9	Very low	152 Å²	152	83.9 Å²	83.9	57%	0.574	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.5	-5.5	170.7	-77	177.5	-178.4	136.2	1.8	113.9	E584 H585 I586	E584-R588 VanDerWaalsContact O-CB 3.31Å; E584-R588 WeakPolarHBondContact O-CB 3.43Å; E584-R588 VanDerWaalsContact O-CD 3.28Å; E584-R588 WeakPolarHBondContact O-CD 3.5Å; E584-R588 WeakPolarHBondContact O-CG 3.26Å; E584-R588 PolarHBondContact O-N 3.45Å; E584-R588 IonicContact OE1-CZ 3.1Å; E584-R588 IonicContact OE1-NH1 2.67Å; E584-R588 IonicContact OE1-NH2 2.87Å; E584-R588 PolarHBondContact OE1-NH2 2.92Å; E584-R588 IonicContact OE2-CZ 3.38Å; E584-R588 IonicContact OE2-NH1 3.63Å; E584-R588 PolarHBondContact OE2-NH1 3.01Å; E584-R588 IonicContact OE2-NH2 3.38Å; E584-R588 PolarHBondContact OE2-NH2 2.88Å; H585-R588 CarbonylContact O-C 3.54Å; H585-R588 PolarHBondContact O-N 3.28Å; H585-R588 VanDerWaalsContact O-N 3.14Å; I586-R588 PolarHBondContact O-N 3.41Å; I586-R588 VanDerWaalsContact O-N 3.16Å
589	S	42.7	Very low	35.7	Very low	17 Å²	17	81 Å²	81	12%	0.119	40%	0.404	C	S	.	.			trans	-60.3	140.9	177.1	155.2	0	0	0	0	110.3	A560 D563 H585 I586 S591 F592	A560-S589 VanDerWaalsContact CA-OG 3.29Å; A560-S589 WeakPolarHBondContact CA-OG 3.46Å; A560-S589 WeakPolarHBondContact CB-OG 3.48Å; D563-S589 VanDerWaalsContact CG-OG 3.28Å; D563-S589 WeakPolarHBondContact OD2-CB 3.37Å; D563-S589 PolarHBondContact OD2-OG 2.9Å; H585-S589 PolarHBondContact O-N 2.84Å; I586-S589 VanDerWaalsContact O-CB 3.32Å; I586-S589 WeakPolarHBondContact O-CB 3.33Å; I586-S589 PolarHBondContact O-N 3Å; I586-S589 VanDerWaalsContact O-N 3.11Å; S589-S591 PolarHBondContact O-N 2.99Å; S589-S591 WeakPolarHBondContact OG-CA 3Å; S589-S591 WeakPolarHBondContact OG-CB 3.32Å; S589-S591 PolarHBondContact OG-N 2.85Å; S589-F592 PolarHBondContact O-N 2.73Å; S589-F592 PolarHBondContact OG-N 2.98Å; S589-F592 VanDerWaalsContact OG-N 3.13Å
590	R	42.3	Very low	35.2	Very low	200 Å²	200	85.5 Å²	85.5	76%	0.755	43%	0.427	S	S	*	.	S	Bend	trans	-68.5	-27.4	172.8	-72.8	-175.5	176.8	-178	0.9	111.1	D563 L593	D563-R590 PolarHBondContact OD2-N 3.15Å; R590-L593 WeakPolarHBondContact O-CD1 3.5Å; R590-L593 WeakPolarHBondContact O-CG 3.24Å
591	S	38.4	Very low	35	Very low	30 Å²	30	90.1 Å²	90.1	21%	0.21	45%	0.445	C	S	.	.	S	Bend	trans	-77.8	-20.8	176.4	-65.8	0	0	0	0	113.9	N556 N559 D563 S589 L593	N556-S591 WeakPolarHBondContact CB-O 3.25Å; N559-S591 VanDerWaalsContact C-CB 3.4Å; N559-S591 WeakPolarHBondContact CB-OG 3.44Å; N559-S591 WeakPolarHBondContact O-CB 3.21Å; N559-S591 PolarHBondContact O-OG 3.34Å; D563-S591 PolarHBondContact OD1-OG 3.31Å; D563-S591 PolarHBondContact OD2-N 2.88Å; D563-S591 VanDerWaalsContact OD2-N 3.08Å; D563-S591 PolarHBondContact OD2-OG 2.92Å; S589-S591 PolarHBondContact O-N 2.99Å; S589-S591 WeakPolarHBondContact OG-CA 3Å; S589-S591 WeakPolarHBondContact OG-CB 3.32Å; S589-S591 PolarHBondContact OG-N 2.85Å; S591-L593 PolarHBondContact O-N 3.2Å
592	F	41.1	Very low	34.4	Very low	54 Å²	54	92.6 Å²	92.6	24%	0.237	46%	0.46	C	S	.	.			trans	-79.6	43.4	175.3	-159.7	-108.1	0	0	0	113	L557 A560 I586 S589 Y594	L557-F592 HydrophobicContact CD1-CE2 4.35Å; A560-F592 HydrophobicContact CB-CB 4.05Å; A560-F592 HydrophobicContact CB-CD2 4.18Å; I586-F592 HydrophobicContact CG2-CD1 4.49Å; I586-F592 HydrophobicContact CG2-CD2 3.65Å; I586-F592 HydrophobicContact CG2-CE1 4.45Å; I586-F592 HydrophobicContact CG2-CE2 3.61Å; I586-F592 HydrophobicContact CG2-CG 4.11Å; I586-F592 HydrophobicContact CG2-CZ 4.03Å; I586-F592 WeakPolarHBondContact O-CB 3.44Å; I586-F592 VanDerWaalsContact O-CG 3.31Å; I586-F592 WeakPolarHBondContact O-CG 3.42Å; S589-F592 PolarHBondContact O-N 2.73Å; S589-F592 PolarHBondContact OG-N 2.98Å; S589-F592 VanDerWaalsContact OG-N 3.13Å; F592-Y594 HydrophobicContact CD1-CD2 4.45Å; F592-Y594 HydrophobicContact CD1-CE2 4.35Å; F592-Y594 HydrophobicContact CE1-CD2 4.17Å; F592-Y594 AromaticContact CE1-CE2 3.65Å; F592-Y594 HydrophobicContact CE1-CE2 3.65Å; F592-Y594 AromaticContact CZ-CE2 3.84Å; F592-Y594 HydrophobicContact CZ-CE2 3.84Å; F592-Y594 PolarHBondContact O-N 3.39Å
593	L	32.4	Very low	33.5	Very low	100 Å²	100	98.7 Å²	98.7	52%	0.524	49%	0.493	S	S	.	.			trans	-80	112.2	-179.6	-82	163.8	0	0	0	111.8	N556 R590 S591 V595	N556-L593 PolarHBondContact ND2-O 3.3Å; R590-L593 WeakPolarHBondContact O-CD1 3.5Å; R590-L593 WeakPolarHBondContact O-CG 3.24Å; S591-L593 PolarHBondContact O-N 3.2Å; L593-V595 HydrophobicContact CB-CG2 4.39Å; L593-V595 HydrophobicContact CD2-CB 4.4Å; L593-V595 HydrophobicContact CD2-CG2 3.61Å; L593-V595 PolarHBondContact O-N 2.9Å; L593-V595 VanDerWaalsContact O-N 3.1Å
594	Y	33.3	Very low	32.8	Very low	98 Å²	98	100 Å²	100	38%	0.384	51%	0.509	S	S	.	.	G	3₁₀ helix	trans	-70.1	5.6	169.9	-97	-96	0	0	0	114.5	F551 F592 E596 L597	F551-Y594 HydrophobicContact CE1-CE1 4.35Å; F551-Y594 HydrophobicContact CZ-CD1 4.36Å; F551-Y594 HydrophobicContact CZ-CE1 4.11Å; F592-Y594 HydrophobicContact CD1-CD2 4.45Å; F592-Y594 HydrophobicContact CD1-CE2 4.35Å; F592-Y594 HydrophobicContact CE1-CD2 4.17Å; F592-Y594 AromaticContact CE1-CE2 3.65Å; F592-Y594 HydrophobicContact CE1-CE2 3.65Å; F592-Y594 AromaticContact CZ-CE2 3.84Å; F592-Y594 HydrophobicContact CZ-CE2 3.84Å; F592-Y594 PolarHBondContact O-N 3.39Å; Y594-E596 PolarHBondContact O-N 2.99Å; Y594-L597 HydrophobicContact CD1-CD1 4Å; Y594-L597 HydrophobicContact CE1-CD1 4.38Å
595	V	27.6	Very low	31.8	Very low	88 Å²	88	99.7 Å²	99.7	53%	0.533	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-80	-17.7	-157.6	176.6	0	0	0	0	114.5	L593 L597	L593-V595 HydrophobicContact CB-CG2 4.39Å; L593-V595 HydrophobicContact CD2-CB 4.4Å; L593-V595 HydrophobicContact CD2-CG2 3.61Å; L593-V595 PolarHBondContact O-N 2.9Å; L593-V595 VanDerWaalsContact O-N 3.1Å; V595-L597 PolarHBondContact O-N 3.22Å
596	E	26.1	Very low	30.8	Very low	146 Å²	146	104 Å²	104	68%	0.682	55%	0.551	S	S	*	*	G	3₁₀ helix	trans	-86.5	0.9	179.5	-60.4	-158.8	137.2	0	0	114.7	Y594 L598	Y594-E596 PolarHBondContact O-N 2.99Å; E596-L598 PolarHBondContact O-N 3.28Å
597	L	26.6	Very low	29.8	Very low	71 Å²	71	108.9 Å²	108.9	37%	0.372	59%	0.586	S	S	.	*	G	3₁₀ helix	trans	-73.2	-10.6	176.1	-91.7	164.1	0	0	0	114.4	F551 Y594 V595	F551-L597 HydrophobicContact CB-CD1 4.32Å; F551-L597 HydrophobicContact CB-CD2 3.8Å; F551-L597 HydrophobicContact CB-CG 3.89Å; F551-L597 HydrophobicContact CD1-CD1 3.91Å; F551-L597 HydrophobicContact CD1-CG 4.41Å; F551-L597 HydrophobicContact CD2-CD1 4.2Å; F551-L597 HydrophobicContact CD2-CG 4.26Å; F551-L597 HydrophobicContact CE1-CD1 4.22Å; F551-L597 HydrophobicContact CE2-CD1 4.49Å; F551-L597 HydrophobicContact CG-CD1 3.91Å; F551-L597 HydrophobicContact CG-CD2 4.31Å; F551-L597 HydrophobicContact CG-CG 3.97Å; Y594-L597 HydrophobicContact CD1-CD1 4Å; Y594-L597 HydrophobicContact CE1-CD1 4.38Å; V595-L597 PolarHBondContact O-N 3.22Å
598	L	24	Very low	28.8	Very low	100 Å²	100	110.8 Å²	110.8	52%	0.524	60%	0.6	S	S	.	*			trans	-132.2	103.6	176.1	-72.2	129.7	0	0	0	108.5	E596 E617	E596-L598 PolarHBondContact O-N 3.28Å; L598-E617 HydrophobicContact CD1-CB 4.05Å; L598-E617 HydrophobicContact CD1-CG 4.01Å
599	P	21.9	Very low	27.7	Very low	88 Å²	88	115.5 Å²	115.5	57%	0.571	62%	0.618	S	S	*	*	S	Bend		-145.4	152.4	70.9	37.9	-21.5	0	0	0	116.2	R550	R550-P599 PolarHBondContact NH1-O 3.48Å
600	N	23.6	Very low	26.8	Very low	118 Å²	118	120.8 Å²	120.8	63%	0.631	65%	0.649	S	S	*	*	S	Bend	trans	175	-15.5	136.8	-97.8	3.7	0	0	0	115	R550 L602	R550-N600 PolarHBondContact NH1-ND2 2.87Å; R550-N600 VanDerWaalsContact NH1-ND2 3.18Å; R550-N600 PolarHBondContact NH2-ND2 3.49Å; N600-L602 PolarHBondContact O-N 3.47Å
601	M	24.6	Very low	25.8	Very low	189 Å²	189	115.8 Å²	115.8	93%	0.931	64%	0.644	S	S	*	*	S	Bend	trans	-85.9	-1.8	-169.5	-74.7	-75.2	-97.8	0	0	116.3
602	L	24	Very low	25	Very low	155 Å²	155	121.3 Å²	121.3	81%	0.812	67%	0.672	S	S	*	*			trans	-114.2	55	175.2	-75.7	176.1	0	0	0	112.5	N600 C604	N600-L602 PolarHBondContact O-N 3.47Å; L602-C604 PolarHBondContact O-N 2.89Å
603	N	22.1	Very low	24.1	Very low	159 Å²	159	126.6 Å²	126.6	85%	0.85	70%	0.695	S	S	*	*			trans	-78.2	47.4	164.4	-162.7	16.4	0	0	0	111.5
604	C	23.7	Very low	23.9	Very low	109 Å²	109	128.3 Å²	128.3	74%	0.736	71%	0.709	S	S	*	*			trans	-93.1	110.5	173.8	-75.7	0	0	0	0	108.7	L602	L602-C604 PolarHBondContact O-N 2.89Å
605	A	22	Very low	23.6	Very low	83 Å²	83	125.9 Å²	125.9	69%	0.686	71%	0.706	S	S	*	*			trans	-69.5	171.7	-173.7	0	0	0	0	0	113.6
606	T	22.3	Very low	23.5	Very low	136 Å²	136	123.6 Å²	123.6	83%	0.834	70%	0.7	S	S	*	*			trans	80.1	96.1	170.4	71.6	0	0	0	0	117.8
607	S	21.7	Very low	23.7	Very low	121 Å²	121	122.4 Å²	122.4	85%	0.846	69%	0.694	S	S	*	*				52.5	95.3	129.6	179.5	0	0	0	0	119.3
608	S	21.5	Very low	23.9	Very low	112 Å²	112	124.2 Å²	124.2	78%	0.783	70%	0.704	S	S	*	*				-156.8	143.9	111.5	47.5	0	0	0	0	111.9
609	R	20.2	Very low	24.3	Very low	251 Å²	251	123.1 Å²	123.1	95%	0.947	70%	0.697	S	S	*	*			trans	-83	124.3	170.4	-70.5	174.8	174.1	165.6	-4	108.8
610	V	24.3	Very low	24.8	Very low	129 Å²	129	122.4 Å²	122.4	78%	0.782	69%	0.687	S	S	*	*			trans	-128.7	119	155.7	-174.9	0	0	0	0	108.1
611	S	20.5	Very low	25.1	Very low	94 Å²	94	119 Å²	119	66%	0.657	68%	0.676	S	S	*	*			trans	-87.2	141.2	173.3	51.3	0	0	0	0	110.4
612	N	20.8	Very low	25.6	Very low	146 Å²	146	111.9 Å²	111.9	78%	0.781	65%	0.647	S	S	*	*	S	Bend	trans	79.3	134.1	173.8	-45.9	-19.6	0	0	0	115.4
613	F	22.7	Very low	26	Very low	165 Å²	165	106.3 Å²	106.3	72%	0.724	62%	0.617	S	S	*	*			trans	64.6	99	167.3	-120.4	-100.9	0	0	0	117.1	P615	F613-P615 HydrophobicContact CD1-CG 4.09Å; F613-P615 HydrophobicContact CE1-CG 4.18Å
614	V	29.1	Very low	26.5	Very low	136 Å²	136	102.1 Å²	102.1	82%	0.824	60%	0.599	S	S	*	*			trans	-135.3	82	162.1	-173.5	0	0	0	0	109.8
615	P	25.9	Very low	27.1	Very low	48 Å²	48	102.7 Å²	102.7	31%	0.312	59%	0.59	S	S	.	*			trans	-64.7	125.4	149.7	29.4	-31	0	0	0	107.4	F613 E619	F613-P615 HydrophobicContact CD1-CG 4.09Å; F613-P615 HydrophobicContact CE1-CG 4.18Å; P615-E619 VanDerWaalsContact CB-OE1 3.25Å; P615-E619 WeakPolarHBondContact CB-OE1 3.39Å
616	G	26.8	Very low	27.6	Very low	40 Å²	40	100.3 Å²	100.3	41%	0.412	57%	0.565	S	S	.	*			trans	-159.2	-40.4	-167.4	0	0	0	0	0	117.9
617	E	29	Very low	28	Very low	120 Å²	120	98.4 Å²	98.4	56%	0.561	55%	0.549	S	S	*	.	S	Bend	trans	-117.7	-49.2	-164	-68.8	163.9	157.6	0	0	112.8	L598 E619 L620 A621	L598-E617 HydrophobicContact CD1-CB 4.05Å; L598-E617 HydrophobicContact CD1-CG 4.01Å; E617-E619 VanDerWaalsContact C-N 3.34Å; E617-E619 PolarHBondContact O-N 3.48Å; E617-L620 PolarHBondContact O-N 3.28Å; E617-A621 PolarHBondContact O-N 3.46Å
618	N	30.2	Very low	28.5	Very low	109 Å²	109	99.6 Å²	99.6	58%	0.583	55%	0.545	S	S	*	.	H	α-helix	trans	-62	-38.8	177.6	-64.5	-20.6	0	0	0	113	A622	N618-A622 PolarHBondContact O-N 3.27Å
619	E	33.1	Very low	29	Very low	78 Å²	78	101.8 Å²	101.8	36%	0.364	54%	0.536	S	S	.	.	H	α-helix	trans	-72.5	-31.3	-179.1	-68.6	157.6	-144	0	0	112.2	P615 E617 A622 M623	P615-E619 VanDerWaalsContact CB-OE1 3.25Å; P615-E619 WeakPolarHBondContact CB-OE1 3.39Å; E617-E619 VanDerWaalsContact C-N 3.34Å; E617-E619 PolarHBondContact O-N 3.48Å; E619-A622 PolarHBondContact O-N 3.48Å; E619-M623 PolarHBondContact O-N 3.33Å
620	L	32.1	Very low	29.4	Very low	72 Å²	72	97.6 Å²	97.6	38%	0.377	53%	0.525	S	S	.	.	H	α-helix	trans	-69	-43.4	175.7	-167.1	71.3	0	0	0	110.7	E617 A622 M623 C624 M661	E617-L620 PolarHBondContact O-N 3.28Å; L620-A622 VanDerWaalsContact C-N 3.32Å; L620-A622 PolarHBondContact O-N 3.03Å; L620-M623 HydrophobicContact CD1-CE 4.47Å; L620-M623 PolarHBondContact O-N 3.18Å; L620-C624 PolarHBondContact O-N 3.38Å; L620-C624 PolarHBondContact O-SG 2.72Å; L620-C624 VanDerWaalsContact O-SG 3.39Å; L620-M661 HydrophobicContact CD1-CE 4.02Å; L620-M661 HydrophobicContact CD1-SD 3.71Å
621	A	31.4	Very low	29.6	Very low	47 Å²	47	98.5 Å²	98.5	39%	0.388	52%	0.519	S	S	.	.	H	α-helix	trans	-59.1	-42.8	173.7	0	0	0	0	0	111.9	E617 C624 F625	E617-A621 PolarHBondContact O-N 3.46Å; A621-C624 PolarHBondContact O-N 3.35Å; A621-F625 WeakPolarHBondContact O-CB 3.45Å; A621-F625 PolarHBondContact O-N 2.77Å
622	A	33.5	Very low	30.2	Very low	39 Å²	39	95.9 Å²	95.9	32%	0.322	50%	0.496	S	S	.	.	H	α-helix	trans	-62	-44	174.5	0	0	0	0	0	112.4	N618 E619 L620 F625 L626 M640	N618-A622 PolarHBondContact O-N 3.27Å; E619-A622 PolarHBondContact O-N 3.48Å; L620-A622 VanDerWaalsContact C-N 3.32Å; L620-A622 PolarHBondContact O-N 3.03Å; A622-F625 PolarHBondContact O-N 2.86Å; A622-L626 WeakPolarHBondContact O-CB 3.24Å; A622-L626 WeakPolarHBondContact O-CD1 3.44Å; A622-L626 VanDerWaalsContact O-CG 3.25Å; A622-L626 WeakPolarHBondContact O-CG 3.39Å; A622-L626 PolarHBondContact O-N 3.34Å; A622-L626 VanDerWaalsContact O-N 3.11Å; A622-M640 HydrophobicContact CB-CE 4.48Å
623	M	32.7	Very low	30.7	Very low	39 Å²	39	91.6 Å²	91.6	19%	0.192	48%	0.48	C	S	.	.	H	α-helix	trans	-62.7	-44.4	174.7	-76.2	-152	-67.9	0	0	112.3	E619 L620 F625 L626 L627 I641	E619-M623 PolarHBondContact O-N 3.33Å; L620-M623 HydrophobicContact CD1-CE 4.47Å; L620-M623 PolarHBondContact O-N 3.18Å; M623-F625 PolarHBondContact O-N 2.83Å; M623-L626 PolarHBondContact O-N 2.8Å; M623-L627 WeakPolarHBondContact O-CB 3.38Å; M623-L627 VanDerWaalsContact O-CG 3.24Å; M623-L627 WeakPolarHBondContact O-CG 3.15Å; M623-L627 PolarHBondContact O-N 3.43Å; M623-I641 HydrophobicContact SD-CG1 4.3Å
624	C	33.4	Very low	31.1	Very low	70 Å²	70	86 Å²	86	47%	0.473	46%	0.46	S	S	.	.	H	α-helix	trans	-61	-44	177.1	-70.5	0	0	0	0	112.5	L620 A621 L626 L627 L628	L620-C624 PolarHBondContact O-N 3.38Å; L620-C624 PolarHBondContact O-SG 2.72Å; L620-C624 VanDerWaalsContact O-SG 3.39Å; A621-C624 PolarHBondContact O-N 3.35Å; C624-L626 VanDerWaalsContact C-N 3.27Å; C624-L626 PolarHBondContact O-N 2.83Å; C624-L627 PolarHBondContact O-N 3.28Å; C624-L628 WeakPolarHBondContact O-CG 3.08Å; C624-L628 PolarHBondContact O-N 3.35Å
625	F	35.3	Very low	31.1	Very low	122 Å²	122	84.6 Å²	84.6	54%	0.535	44%	0.443	S	S	.	.	H	α-helix	trans	-64.1	-32.7	178.5	-165.6	-94	0	0	0	112.7	L512 A621 A622 M623	L512-F625 HydrophobicContact CD2-CE2 4.31Å; L512-F625 HydrophobicContact CD2-CZ 3.7Å; A621-F625 WeakPolarHBondContact O-CB 3.45Å; A621-F625 PolarHBondContact O-N 2.77Å; A622-F625 PolarHBondContact O-N 2.86Å; M623-F625 PolarHBondContact O-N 2.83Å
626	L	32.8	Very low	31.7	Very low	33 Å²	33	85.2 Å²	85.2	17%	0.173	44%	0.443	C	S	.	.	H	α-helix	trans	-84.2	-33.5	179.7	-68	169.9	0	0	0	113.1	A622 M623 C624 L628 R629 F632 M640	A622-L626 WeakPolarHBondContact O-CB 3.24Å; A622-L626 WeakPolarHBondContact O-CD1 3.44Å; A622-L626 VanDerWaalsContact O-CG 3.25Å; A622-L626 WeakPolarHBondContact O-CG 3.39Å; A622-L626 PolarHBondContact O-N 3.34Å; A622-L626 VanDerWaalsContact O-N 3.11Å; M623-L626 PolarHBondContact O-N 2.8Å; C624-L626 VanDerWaalsContact C-N 3.27Å; C624-L626 PolarHBondContact O-N 2.83Å; L626-L628 PolarHBondContact O-N 3.5Å; L626-R629 PolarHBondContact O-N 3.31Å; L626-R629 VanDerWaalsContact O-N 3.13Å; L626-F632 HydrophobicContact CB-CD1 4.41Å; L626-F632 HydrophobicContact CB-CD2 4.23Å; L626-F632 HydrophobicContact CB-CE1 3.97Å; L626-F632 HydrophobicContact CB-CE2 3.79Å; L626-F632 HydrophobicContact CB-CZ 3.66Å; L626-F632 HydrophobicContact CD1-CE2 4.35Å; L626-F632 HydrophobicContact CD1-CZ 4.19Å; L626-F632 HydrophobicContact CD2-CD2 4.43Å; L626-F632 HydrophobicContact CD2-CE2 3.93Å; L626-F632 HydrophobicContact CG-CE2 4.24Å; L626-F632 HydrophobicContact CG-CZ 4.34Å; L626-F632 VanDerWaalsContact O-CB 3.28Å; L626-F632 WeakPolarHBondContact O-CB 3.48Å; L626-F632 WeakPolarHBondContact O-CD1 3.44Å; L626-F632 WeakPolarHBondContact O-CG 3.42Å; L626-M640 HydrophobicContact CD1-CE 3.55Å; L626-M640 HydrophobicContact CD1-CG 3.77Å; L626-M640 HydrophobicContact CD1-SD 3.56Å; L626-M640 VanDerWaalsContact CD1-SD 3.56Å
627	L	31.8	Very low	32.1	Very low	95 Å²	95	84 Å²	84	50%	0.497	43%	0.427	S	S	.	.	H	α-helix	trans	-62.9	-23.3	170.5	-73.6	165.9	0	0	0	112.8	M623 C624 R629 L637	M623-L627 WeakPolarHBondContact O-CB 3.38Å; M623-L627 VanDerWaalsContact O-CG 3.24Å; M623-L627 WeakPolarHBondContact O-CG 3.15Å; M623-L627 PolarHBondContact O-N 3.43Å; C624-L627 PolarHBondContact O-N 3.28Å; L627-R629 VanDerWaalsContact C-N 3.31Å; L627-L637 HydrophobicContact CD2-CD1 4.28Å; L627-L637 HydrophobicContact CD2-CD2 4.38Å
628	L	30.8	Very low	32.4	Very low	146 Å²	146	79 Å²	79	76%	0.764	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-9.2	174.6	-73.5	167.1	0	0	0	114.3	C624 L626 K630	C624-L628 WeakPolarHBondContact O-CG 3.08Å; C624-L628 PolarHBondContact O-N 3.35Å; L626-L628 PolarHBondContact O-N 3.5Å; L628-K630 PolarHBondContact O-N 3.41Å
629	R	33	Very low	32.8	Very low	158 Å²	158	81.4 Å²	81.4	60%	0.596	41%	0.407	S	S	*	.			trans	-78.4	114.9	176.8	-110.1	177.3	156.8	166.1	-6.5	110.1	L626 L627 F631 F632	L626-R629 PolarHBondContact O-N 3.31Å; L626-R629 VanDerWaalsContact O-N 3.13Å; L627-R629 VanDerWaalsContact C-N 3.31Å; R629-F631 PolarHBondContact O-N 2.89Å; R629-F632 HydrophobicContact CB-CB 3.81Å; R629-F632 VanDerWaalsContact O-CB 3.26Å; R629-F632 WeakPolarHBondContact O-CB 3.46Å; R629-F632 PolarHBondContact O-N 2.93Å
630	K	28.4	Very low	33	Very low	164 Å²	164	79.5 Å²	79.5	71%	0.713	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-11	174.5	-147.2	173.1	-173.3	177.2	0	114.5	L628	L628-K630 PolarHBondContact O-N 3.41Å
631	F	28.8	Very low	33.1	Very low	147 Å²	147	77 Å²	77	65%	0.645	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	15.7	175.6	-60.1	-79.1	0	0	0	113.5	R629 A633	R629-F631 PolarHBondContact O-N 2.89Å; F631-A633 VanDerWaalsContact C-N 3.28Å; F631-A633 PolarHBondContact O-N 3.3Å
632	F	32.9	Very low	33.3	Very low	40 Å²	40	82.3 Å²	82.3	18%	0.175	40%	0.399	C	S	.	.			trans	-79.2	75.9	-179.8	-158.9	-114.7	0	0	0	111.4	L626 R629 T634 N636 L637 M640	L626-F632 HydrophobicContact CB-CD1 4.41Å; L626-F632 HydrophobicContact CB-CD2 4.23Å; L626-F632 HydrophobicContact CB-CE1 3.97Å; L626-F632 HydrophobicContact CB-CE2 3.79Å; L626-F632 HydrophobicContact CB-CZ 3.66Å; L626-F632 HydrophobicContact CD1-CE2 4.35Å; L626-F632 HydrophobicContact CD1-CZ 4.19Å; L626-F632 HydrophobicContact CD2-CD2 4.43Å; L626-F632 HydrophobicContact CD2-CE2 3.93Å; L626-F632 HydrophobicContact CG-CE2 4.24Å; L626-F632 HydrophobicContact CG-CZ 4.34Å; L626-F632 VanDerWaalsContact O-CB 3.28Å; L626-F632 WeakPolarHBondContact O-CB 3.48Å; L626-F632 WeakPolarHBondContact O-CD1 3.44Å; L626-F632 WeakPolarHBondContact O-CG 3.42Å; R629-F632 HydrophobicContact CB-CB 3.81Å; R629-F632 VanDerWaalsContact O-CB 3.26Å; R629-F632 WeakPolarHBondContact O-CB 3.46Å; R629-F632 PolarHBondContact O-N 2.93Å; F632-T634 PolarHBondContact O-N 3.22Å; F632-N636 HydrophobicContact CD2-CB 3.81Å; F632-N636 HydrophobicContact CE1-CB 4.31Å; F632-N636 HydrophobicContact CE2-CB 3.37Å; F632-N636 HydrophobicContact CG-CB 4.42Å; F632-N636 VanDerWaalsContact CZ-C 3.47Å; F632-N636 HydrophobicContact CZ-CB 3.65Å; F632-L637 HydrophobicContact CD1-CB 4.27Å; F632-L637 VanDerWaalsContact CE1-CA 3.49Å; F632-L637 HydrophobicContact CE1-CB 3.66Å; F632-L637 HydrophobicContact CE1-CD1 4.06Å; F632-L637 HydrophobicContact CE1-CG 4.46Å; F632-M640 HydrophobicContact CZ-CG 4.02Å
633	A	31.9	Very low	33.3	Very low	55 Å²	55	88.5 Å²	88.5	46%	0.455	42%	0.419	S	S	.	.			trans	-48.9	140.7	174.3	0	0	0	0	0	111.1	F631 F635 N636	F631-A633 VanDerWaalsContact C-N 3.28Å; F631-A633 PolarHBondContact O-N 3.3Å; A633-F635 PolarHBondContact O-N 2.83Å; A633-N636 WeakPolarHBondContact O-CB 3.46Å; A633-N636 PolarHBondContact O-N 2.86Å
634	T	31	Very low	33.3	Very low	47 Å²	47	91.7 Å²	91.7	29%	0.288	43%	0.432	S	S	.	.	H	α-helix	trans	-55.5	-28.4	-175.5	-14	0	0	0	0	112.9	F632 N636 L637 C638 Y682	F632-T634 PolarHBondContact O-N 3.22Å; T634-N636 VanDerWaalsContact C-N 3.3Å; T634-N636 PolarHBondContact O-N 2.81Å; T634-L637 WeakPolarHBondContact O-CB 3.35Å; T634-L637 PolarHBondContact O-N 3.27Å; T634-L637 VanDerWaalsContact O-N 3.15Å; T634-C638 PolarHBondContact O-N 2.86Å; T634-Y682 HydrophobicContact CG2-CD1 3.53Å; T634-Y682 HydrophobicContact CG2-CE1 3.94Å; T634-Y682 WeakPolarHBondContact O-CE1 3.27Å
635	F	29.2	Very low	33	Very low	107 Å²	107	89.6 Å²	89.6	47%	0.469	42%	0.419	S	S	.	.	H	α-helix	trans	-50.5	-45.3	168.5	-179.4	-102.3	0	0	0	113	A633 C638 R639	A633-F635 PolarHBondContact O-N 2.83Å; F635-C638 PolarHBondContact O-N 3.08Å; F635-R639 VanDerWaalsContact O-CB 3.23Å; F635-R639 WeakPolarHBondContact O-CB 3.39Å; F635-R639 PolarHBondContact O-N 3.46Å
636	N	37.4	Very low	32.7	Very low	61 Å²	61	90.5 Å²	90.5	33%	0.326	43%	0.429	S	S	.	.	H	α-helix	trans	-70.9	-33.6	179	-65.6	-32.8	0	0	0	112.1	F632 A633 T634 R639 M640	F632-N636 HydrophobicContact CD2-CB 3.81Å; F632-N636 HydrophobicContact CE1-CB 4.31Å; F632-N636 HydrophobicContact CE2-CB 3.37Å; F632-N636 HydrophobicContact CG-CB 4.42Å; F632-N636 VanDerWaalsContact CZ-C 3.47Å; F632-N636 HydrophobicContact CZ-CB 3.65Å; A633-N636 WeakPolarHBondContact O-CB 3.46Å; A633-N636 PolarHBondContact O-N 2.86Å; T634-N636 VanDerWaalsContact C-N 3.3Å; T634-N636 PolarHBondContact O-N 2.81Å; N636-R639 PolarHBondContact O-N 3.35Å; N636-M640 VanDerWaalsContact O-CB 3.26Å; N636-M640 WeakPolarHBondContact O-CB 3.3Å; N636-M640 WeakPolarHBondContact O-CG 3.37Å; N636-M640 PolarHBondContact O-N 3.2Å
637	L	35.4	Very low	32.9	Very low	14 Å²	14	92.7 Å²	92.7	7%	0.073	45%	0.445	C	S	.	.	H	α-helix	trans	-63.2	-48.1	172.1	-176.8	63.3	0	0	0	110.9	L627 F632 T634 M640 I641	L627-L637 HydrophobicContact CD2-CD1 4.28Å; L627-L637 HydrophobicContact CD2-CD2 4.38Å; F632-L637 HydrophobicContact CD1-CB 4.27Å; F632-L637 VanDerWaalsContact CE1-CA 3.49Å; F632-L637 HydrophobicContact CE1-CB 3.66Å; F632-L637 HydrophobicContact CE1-CD1 4.06Å; F632-L637 HydrophobicContact CE1-CG 4.46Å; T634-L637 WeakPolarHBondContact O-CB 3.35Å; T634-L637 PolarHBondContact O-N 3.27Å; T634-L637 VanDerWaalsContact O-N 3.15Å; L637-M640 WeakPolarHBondContact O-CB 3.21Å; L637-M640 PolarHBondContact O-N 3.4Å; L637-I641 HydrophobicContact CD1-CD1 4.06Å; L637-I641 HydrophobicContact CG-CD1 3.92Å; L637-I641 WeakPolarHBondContact O-CB 3.34Å; L637-I641 VanDerWaalsContact O-CG1 3.24Å; L637-I641 WeakPolarHBondContact O-CG1 3.43Å; L637-I641 PolarHBondContact O-N 3.45Å
638	C	34.5	Very low	33.2	Very low	17 Å²	17	91.8 Å²	91.8	12%	0.115	44%	0.436	C	S	.	.	H	α-helix	trans	-75.3	-22.3	177.3	-77.4	0	0	0	0	113.8	T634 F635 K642 Y682	T634-C638 PolarHBondContact O-N 2.86Å; F635-C638 PolarHBondContact O-N 3.08Å; C638-K642 VanDerWaalsContact O-CB 3.25Å; C638-K642 WeakPolarHBondContact O-CB 3.35Å; C638-K642 WeakPolarHBondContact O-CG 3.38Å; C638-K642 PolarHBondContact O-N 3.31Å; C638-Y682 HydrophobicContact CB-CE1 3.67Å; C638-Y682 WeakPolarHBondContact CB-OH 3.31Å; C638-Y682 WeakPolarHBondContact SG-CE1 3.29Å
639	R	39.5	Very low	33.5	Very low	158 Å²	158	93.5 Å²	93.5	60%	0.596	43%	0.432	S	S	*	.	H	α-helix	trans	-74.2	-41.3	170.5	-161	174.5	-166.9	178.2	4.8	110.9	F635 N636 K643	F635-R639 VanDerWaalsContact O-CB 3.23Å; F635-R639 WeakPolarHBondContact O-CB 3.39Å; F635-R639 PolarHBondContact O-N 3.46Å; N636-R639 PolarHBondContact O-N 3.35Å; R639-K643 VanDerWaalsContact O-CB 3.25Å; R639-K643 WeakPolarHBondContact O-CB 3.48Å; R639-K643 PolarHBondContact O-N 3.04Å
640	M	37.1	Very low	34	Very low	39 Å²	39	88.3 Å²	88.3	19%	0.192	42%	0.42	C	S	.	.	H	α-helix	trans	-55.3	-58.6	166.7	-86.6	-69	-60.6	0	0	110.5	A622 L626 F632 N636 L637 K642 K643 F644	A622-M640 HydrophobicContact CB-CE 4.48Å; L626-M640 HydrophobicContact CD1-CE 3.55Å; L626-M640 HydrophobicContact CD1-CG 3.77Å; L626-M640 HydrophobicContact CD1-SD 3.56Å; L626-M640 VanDerWaalsContact CD1-SD 3.56Å; F632-M640 HydrophobicContact CZ-CG 4.02Å; N636-M640 VanDerWaalsContact O-CB 3.26Å; N636-M640 WeakPolarHBondContact O-CB 3.3Å; N636-M640 WeakPolarHBondContact O-CG 3.37Å; N636-M640 PolarHBondContact O-N 3.2Å; L637-M640 WeakPolarHBondContact O-CB 3.21Å; L637-M640 PolarHBondContact O-N 3.4Å; M640-K642 VanDerWaalsContact C-N 3.34Å; M640-K642 PolarHBondContact O-N 2.97Å; M640-K643 CarbonylContact O-C 3.45Å; M640-K643 WeakPolarHBondContact O-CA 3.42Å; M640-K643 PolarHBondContact O-N 3.06Å; M640-F644 HydrophobicContact CE-CD2 3.58Å; M640-F644 HydrophobicContact CE-CE2 3.5Å; M640-F644 VanDerWaalsContact O-CD2 3.31Å; M640-F644 WeakPolarHBondContact O-CD2 3.33Å; M640-F644 PolarHBondContact O-N 2.67Å; M640-F644 HydrophobicContact SD-CD2 4.01Å; M640-F644 HydrophobicContact SD-CE2 3.65Å
641	I	34.8	Very low	34.6	Very low	18 Å²	18	82.8 Å²	82.8	9%	0.092	40%	0.399	C	S	.	.	H	α-helix	trans	-56.8	-48	-178.7	-67.5	165.4	0	0	0	109.7	M623 L637 K643 F644 A645 I654	M623-I641 HydrophobicContact SD-CG1 4.3Å; L637-I641 HydrophobicContact CD1-CD1 4.06Å; L637-I641 HydrophobicContact CG-CD1 3.92Å; L637-I641 WeakPolarHBondContact O-CB 3.34Å; L637-I641 VanDerWaalsContact O-CG1 3.24Å; L637-I641 WeakPolarHBondContact O-CG1 3.43Å; L637-I641 PolarHBondContact O-N 3.45Å; I641-K643 VanDerWaalsContact C-N 3.29Å; I641-K643 PolarHBondContact O-N 3.17Å; I641-F644 CarbonylContact O-C 3.58Å; I641-F644 PolarHBondContact O-N 3.25Å; I641-F644 VanDerWaalsContact O-N 3.12Å; I641-A645 HydrophobicContact CG2-CB 4.43Å; I641-A645 WeakPolarHBondContact O-CA 3.43Å; I641-A645 WeakPolarHBondContact O-CB 3.16Å; I641-A645 PolarHBondContact O-N 3.06Å; I641-I654 HydrophobicContact CD1-CG2 4.05Å; I641-I654 HydrophobicContact CG2-CD1 3.46Å; I641-I654 VanDerWaalsContact CG2-CD1 3.46Å; I641-I654 HydrophobicContact CG2-CG1 3.86Å; I641-I654 HydrophobicContact CG2-CG2 4.15Å
642	K	34.2	Very low	35.5	Very low	159 Å²	159	79.8 Å²	79.8	69%	0.691	39%	0.389	S	S	*	.	H	α-helix	trans	-58.7	-33.9	174.5	-77.3	174.5	178.6	179.6	0	114.3	C638 M640	C638-K642 VanDerWaalsContact O-CB 3.25Å; C638-K642 WeakPolarHBondContact O-CB 3.35Å; C638-K642 WeakPolarHBondContact O-CG 3.38Å; C638-K642 PolarHBondContact O-N 3.31Å; M640-K642 VanDerWaalsContact C-N 3.34Å; M640-K642 PolarHBondContact O-N 2.97Å
643	K	35.1	Very low	36.1	Very low	170 Å²	170	81.2 Å²	81.2	74%	0.739	40%	0.396	S	S	*	.	H	α-helix	trans	-78.1	-19.9	179	-158.1	176	-171.5	-174.8	0	113.1	R639 M640 I641	R639-K643 VanDerWaalsContact O-CB 3.25Å; R639-K643 WeakPolarHBondContact O-CB 3.48Å; R639-K643 PolarHBondContact O-N 3.04Å; M640-K643 CarbonylContact O-C 3.45Å; M640-K643 WeakPolarHBondContact O-CA 3.42Å; M640-K643 PolarHBondContact O-N 3.06Å; I641-K643 VanDerWaalsContact C-N 3.29Å; I641-K643 PolarHBondContact O-N 3.17Å
644	F	31.3	Very low	36.8	Very low	106 Å²	106	79.5 Å²	79.5	47%	0.465	38%	0.379	S	S	.	.	H	α-helix	trans	-120.6	7.2	-179.5	-66.6	-78.1	0	0	0	114.1	M640 I641 L646	M640-F644 HydrophobicContact CE-CD2 3.58Å; M640-F644 HydrophobicContact CE-CE2 3.5Å; M640-F644 VanDerWaalsContact O-CD2 3.31Å; M640-F644 WeakPolarHBondContact O-CD2 3.33Å; M640-F644 PolarHBondContact O-N 2.67Å; M640-F644 HydrophobicContact SD-CD2 4.01Å; M640-F644 HydrophobicContact SD-CE2 3.65Å; I641-F644 CarbonylContact O-C 3.58Å; I641-F644 PolarHBondContact O-N 3.25Å; I641-F644 VanDerWaalsContact O-N 3.12Å; F644-L646 PolarHBondContact O-N 3.08Å
645	A	28.4	Very low	37.4	Very low	25 Å²	25	77.6 Å²	77.6	21%	0.207	37%	0.368	C	S	.	.			trans	-76.2	35.8	-173.9	0	0	0	0	0	114.9	I641 P647 Y648	I641-A645 HydrophobicContact CG2-CB 4.43Å; I641-A645 WeakPolarHBondContact O-CA 3.43Å; I641-A645 WeakPolarHBondContact O-CB 3.16Å; I641-A645 PolarHBondContact O-N 3.06Å; A645-P647 CarbonylContact O-C 3.56Å; A645-Y648 HydrophobicContact CB-CD2 4.39Å; A645-Y648 PolarHBondContact O-N 3.33Å
646	L	28.7	Very low	38.6	Very low	141 Å²	141	77.2 Å²	77.2	74%	0.738	37%	0.368	S	S	*	.	S	Bend	trans	-93.5	70.5	169.3	-66	171.9	0	0	0	108.3	F644	F644-L646 PolarHBondContact O-N 3.08Å
647	P	37.5	Very low	39.2	Very low	79 Å²	79	77.7 Å²	77.7	51%	0.513	37%	0.368	S	S	.	.	S	Bend		-141.2	7.4	72.2	39.8	-25.2	0	0	0	117.3	A645 R649	A645-P647 CarbonylContact O-C 3.56Å; P647-R649 PolarHBondContact O-N 3.33Å
648	Y	38.4	Very low	39.8	Very low	77 Å²	77	79 Å²	79	30%	0.302	37%	0.374	S	S	.	.			trans	-67.8	122.4	-171.1	-57.9	-76.6	0	0	0	113.3	A645 E653 I654 H657	A645-Y648 HydrophobicContact CB-CD2 4.39Å; A645-Y648 PolarHBondContact O-N 3.33Å; Y648-E653 HydrophobicContact CD1-CB 4.21Å; Y648-I654 HydrophobicContact CD1-CG1 4.25Å; Y648-I654 HydrophobicContact CD2-CG1 4.28Å; Y648-I654 HydrophobicContact CG-CG1 3.84Å; Y648-H657 HydrophobicContact CE1-CB 3.88Å; Y648-H657 AromaticContact CE1-CG 3.89Å; Y648-H657 AromaticContact CZ-CD2 3.97Å; Y648-H657 PolarHBondContact OH-CD2 3.34Å; Y648-H657 PolarHBondContact OH-CE1 2.79Å; Y648-H657 PolarHBondContact OH-NE2 3.03Å
649	R	36.7	Very low	40.5	Very low	181 Å²	181	80.7 Å²	80.7	68%	0.683	39%	0.386	S	S	*	.			trans	-83.5	-19.3	-176.5	-53.7	172.6	165.8	-120.2	-13.4	113.1	P647 E653	P647-R649 PolarHBondContact O-N 3.33Å; R649-E653 WeakPolarHBondContact CB-OE1 3.33Å; R649-E653 WeakPolarHBondContact CB-OE2 3.2Å; R649-E653 WeakPolarHBondContact CD-OE1 3.38Å; R649-E653 PolarHBondContact N-OE2 3.26Å
650	S	41.9	Very low	41.1	Very low	49 Å²	49	78.6 Å²	78.6	34%	0.343	39%	0.387	S	S	.	.	S	Bend	trans	-156.9	159.4	-179	69.8	0	0	0	0	113.6	N652 E653 I654	S650-N652 PolarHBondContact O-N 3.3Å; S650-N652 PolarHBondContact OG-N 3.19Å; S650-E653 WeakPolarHBondContact O-CB 3.43Å; S650-E653 PolarHBondContact O-N 3.42Å; S650-E653 PolarHBondContact OG-N 2.97Å; S650-I654 PolarHBondContact O-N 2.93Å; S650-I654 VanDerWaalsContact O-N 3.1Å
651	N	42	Very low	41.5	Very low	49 Å²	49	79.3 Å²	79.3	26%	0.262	39%	0.39	S	S	.	.	H	α-helix	trans	-52.7	-30.9	166.1	-74.8	7.6	0	0	0	113.5	I654 S655 V683 L684 G686	N651-I654 PolarHBondContact O-N 3.37Å; N651-S655 WeakPolarHBondContact O-CB 3.5Å; N651-S655 PolarHBondContact O-N 2.93Å; N651-V683 VanDerWaalsContact CB-O 3.29Å; N651-V683 WeakPolarHBondContact CB-O 3.36Å; N651-L684 WeakPolarHBondContact CB-O 3.47Å; N651-L684 PolarHBondContact ND2-O 2.87Å; N651-G686 WeakPolarHBondContact ND2-CA 3.26Å; N651-G686 PolarHBondContact ND2-N 3.22Å; N651-G686 VanDerWaalsContact ND2-N 3.11Å
652	N	47.3	Very low	41.6	Very low	83 Å²	83	79.6 Å²	79.6	44%	0.444	40%	0.398	S	S	.	.	H	α-helix	trans	-70.7	-37.7	176.5	-169.3	17	0	0	0	111.5	S650 S655 Q656	S650-N652 PolarHBondContact O-N 3.3Å; S650-N652 PolarHBondContact OG-N 3.19Å; N652-S655 PolarHBondContact O-N 3.36Å; N652-Q656 PolarHBondContact ND2-NE2 3.29Å; N652-Q656 VanDerWaalsContact O-CB 3.3Å; N652-Q656 WeakPolarHBondContact O-CB 3.5Å; N652-Q656 WeakPolarHBondContact O-CG 3.25Å; N652-Q656 PolarHBondContact O-N 3.21Å; N652-Q656 PolarHBondContact OD1-NE2 3.04Å
653	E	47	Very low	41.7	Very low	71 Å²	71	74.3 Å²	74.3	33%	0.332	39%	0.388	S	S	.	.	H	α-helix	trans	-67.3	-38.9	172.4	-69.7	177.5	-172.7	0	0	111.7	Y648 R649 S650 Q656 H657	Y648-E653 HydrophobicContact CD1-CB 4.21Å; R649-E653 WeakPolarHBondContact CB-OE1 3.33Å; R649-E653 WeakPolarHBondContact CB-OE2 3.2Å; R649-E653 WeakPolarHBondContact CD-OE1 3.38Å; R649-E653 PolarHBondContact N-OE2 3.26Å; S650-E653 WeakPolarHBondContact O-CB 3.43Å; S650-E653 PolarHBondContact O-N 3.42Å; S650-E653 PolarHBondContact OG-N 2.97Å; E653-Q656 PolarHBondContact O-N 3.1Å; E653-H657 VanDerWaalsContact O-CB 3.26Å; E653-H657 WeakPolarHBondContact O-CB 3.49Å; E653-H657 PolarHBondContact O-N 3.46Å
654	I	44.7	Very low	41.8	Very low	18 Å²	18	70.6 Å²	70.6	9%	0.092	39%	0.389	C	S	.	.	H	α-helix	trans	-61	-49.5	172.9	-68.7	153.8	0	0	0	110.3	I641 Y648 S650 N651 H657 L658 V683	I641-I654 HydrophobicContact CD1-CG2 4.05Å; I641-I654 HydrophobicContact CG2-CD1 3.46Å; I641-I654 VanDerWaalsContact CG2-CD1 3.46Å; I641-I654 HydrophobicContact CG2-CG1 3.86Å; I641-I654 HydrophobicContact CG2-CG2 4.15Å; Y648-I654 HydrophobicContact CD1-CG1 4.25Å; Y648-I654 HydrophobicContact CD2-CG1 4.28Å; Y648-I654 HydrophobicContact CG-CG1 3.84Å; S650-I654 PolarHBondContact O-N 2.93Å; S650-I654 VanDerWaalsContact O-N 3.1Å; N651-I654 PolarHBondContact O-N 3.37Å; I654-H657 PolarHBondContact O-N 3.24Å; I654-L658 HydrophobicContact CG2-CD1 3.98Å; I654-L658 WeakPolarHBondContact O-CG 3.48Å; I654-L658 PolarHBondContact O-N 2.84Å; I654-V683 HydrophobicContact CG2-CG1 4.23Å
655	S	45.3	Very low	41.8	Very low	7 Å²	7	69.8 Å²	69.8	5%	0.049	39%	0.393	C	S	.	.	H	α-helix	trans	-62.4	-44.2	177.7	-166	0	0	0	0	111.5	N651 N652 H657 L658 C659 L684	N651-S655 WeakPolarHBondContact O-CB 3.5Å; N651-S655 PolarHBondContact O-N 2.93Å; N652-S655 PolarHBondContact O-N 3.36Å; S655-H657 PolarHBondContact O-N 3.2Å; S655-L658 PolarHBondContact O-N 3.11Å; S655-C659 VanDerWaalsContact O-CB 3.26Å; S655-C659 WeakPolarHBondContact O-CB 3.46Å; S655-C659 PolarHBondContact O-N 3.47Å; S655-C659 PolarHBondContact O-SG 2.74Å; S655-L684 WeakPolarHBondContact OG-CD2 3.49Å
656	Q	52.8	Low	41.8	Very low	100 Å²	100	71.7 Å²	71.7	47%	0.467	41%	0.408	S	S	.	.	H	α-helix	trans	-63.8	-39.2	176.6	-75.1	173.9	23.1	0	0	112	N652 E653 C659 N660	N652-Q656 PolarHBondContact ND2-NE2 3.29Å; N652-Q656 VanDerWaalsContact O-CB 3.3Å; N652-Q656 WeakPolarHBondContact O-CB 3.5Å; N652-Q656 WeakPolarHBondContact O-CG 3.25Å; N652-Q656 PolarHBondContact O-N 3.21Å; N652-Q656 PolarHBondContact OD1-NE2 3.04Å; E653-Q656 PolarHBondContact O-N 3.1Å; Q656-C659 PolarHBondContact O-N 3.36Å; Q656-N660 WeakPolarHBondContact O-CB 3.37Å; Q656-N660 PolarHBondContact O-N 3.31Å; Q656-N660 PolarHBondContact O-ND2 3.31Å
657	H	50.3	Low	42.1	Very low	71 Å²	71	77.2 Å²	77.2	33%	0.329	42%	0.419	S	S	.	.	H	α-helix	trans	-64.9	-45.5	176	-176.5	76.4	0	0	0	111.7	Y648 E653 I654 S655 N660 M661	Y648-H657 HydrophobicContact CE1-CB 3.88Å; Y648-H657 AromaticContact CE1-CG 3.89Å; Y648-H657 AromaticContact CZ-CD2 3.97Å; Y648-H657 PolarHBondContact OH-CD2 3.34Å; Y648-H657 PolarHBondContact OH-CE1 2.79Å; Y648-H657 PolarHBondContact OH-NE2 3.03Å; E653-H657 VanDerWaalsContact O-CB 3.26Å; E653-H657 WeakPolarHBondContact O-CB 3.49Å; E653-H657 PolarHBondContact O-N 3.46Å; I654-H657 PolarHBondContact O-N 3.24Å; S655-H657 PolarHBondContact O-N 3.2Å; H657-N660 PolarHBondContact O-N 3.45Å; H657-M661 WeakPolarHBondContact NE2-CE 3.33Å; H657-M661 WeakPolarHBondContact O-CG 3.34Å; H657-M661 PolarHBondContact O-N 3.18Å
658	L	48.7	Very low	42.1	Very low	40 Å²	40	75.4 Å²	75.4	21%	0.209	41%	0.409	C	S	.	.	H	α-helix	trans	-63.7	-43.3	174.5	-68.6	170.1	0	0	0	112.3	I654 S655 N660 M661 G662 W680 V683	I654-L658 HydrophobicContact CG2-CD1 3.98Å; I654-L658 WeakPolarHBondContact O-CG 3.48Å; I654-L658 PolarHBondContact O-N 2.84Å; S655-L658 PolarHBondContact O-N 3.11Å; L658-N660 VanDerWaalsContact C-N 3.34Å; L658-N660 PolarHBondContact O-N 3.18Å; L658-M661 HydrophobicContact CD2-CE 3.99Å; L658-M661 PolarHBondContact O-N 3.06Å; L658-G662 PolarHBondContact O-N 3.15Å; L658-W680 HydrophobicContact CB-CH2 4.06Å; L658-W680 HydrophobicContact CB-CZ3 4.05Å; L658-V683 HydrophobicContact CD1-CG1 4.17Å
659	C	49.8	Very low	41.9	Very low	54 Å²	54	76.1 Å²	76.1	37%	0.365	43%	0.425	S	S	.	.	H	α-helix	trans	-66.1	-32.9	174.9	-68.5	0	0	0	0	112.5	S655 Q656 G663 W680	S655-C659 VanDerWaalsContact O-CB 3.26Å; S655-C659 WeakPolarHBondContact O-CB 3.46Å; S655-C659 PolarHBondContact O-N 3.47Å; S655-C659 PolarHBondContact O-SG 2.74Å; Q656-C659 PolarHBondContact O-N 3.36Å; C659-G663 WeakPolarHBondContact O-CA 3.27Å; C659-G663 PolarHBondContact O-N 3.23Å; C659-W680 VanDerWaalsContact SG-CZ3 3.55Å
660	N	50.9	Low	41.8	Very low	113 Å²	113	71.1 Å²	71.1	60%	0.604	42%	0.415	S	S	*	.	H	α-helix	trans	-73.7	-37.3	175.5	-73.8	-20.5	0	0	0	111.8	Q656 H657 L658 G663 A664	Q656-N660 WeakPolarHBondContact O-CB 3.37Å; Q656-N660 PolarHBondContact O-N 3.31Å; Q656-N660 PolarHBondContact O-ND2 3.31Å; H657-N660 PolarHBondContact O-N 3.45Å; L658-N660 VanDerWaalsContact C-N 3.34Å; L658-N660 PolarHBondContact O-N 3.18Å; N660-G663 PolarHBondContact O-N 3.05Å; N660-A664 WeakPolarHBondContact O-CB 3.38Å; N660-A664 PolarHBondContact O-N 2.89Å
661	M	46.9	Very low	41.4	Very low	55 Å²	55	70.3 Å²	70.3	27%	0.271	41%	0.407	S	S	.	.	H	α-helix	trans	-66.5	-46.9	171.6	-71.7	-164.7	-65.5	0	0	111.5	L620 H657 L658 G663 A664 V665	L620-M661 HydrophobicContact CD1-CE 4.02Å; L620-M661 HydrophobicContact CD1-SD 3.71Å; H657-M661 WeakPolarHBondContact NE2-CE 3.33Å; H657-M661 WeakPolarHBondContact O-CG 3.34Å; H657-M661 PolarHBondContact O-N 3.18Å; L658-M661 HydrophobicContact CD2-CE 3.99Å; L658-M661 PolarHBondContact O-N 3.06Å; M661-G663 VanDerWaalsContact C-N 3.28Å; M661-G663 PolarHBondContact O-N 2.76Å; M661-A664 PolarHBondContact O-N 3.16Å; M661-V665 WeakPolarHBondContact O-CG2 3.15Å; M661-V665 PolarHBondContact O-N 3.49Å
662	G	36.8	Very low	41.2	Very low	24 Å²	24	75.8 Å²	75.8	25%	0.247	43%	0.429	C	S	.	.	H	α-helix	trans	-59.3	-39.1	171.7	0	0	0	0	0	112.5	L658 V665 A666	L658-G662 PolarHBondContact O-N 3.15Å; G662-V665 CarbonylContact O-C 3.35Å; G662-V665 PolarHBondContact O-N 3.09Å; G662-A666 WeakPolarHBondContact O-CA 3.45Å; G662-A666 WeakPolarHBondContact O-CB 3.38Å; G662-A666 PolarHBondContact O-N 3.36Å
663	G	36	Very low	40.8	Very low	47 Å²	47	77.3 Å²	77.3	49%	0.485	43%	0.433	S	S	.	.	H	α-helix	trans	-64.6	-40.1	176.6	0	0	0	0	0	113.9	C659 N660 M661 V665 A666	C659-G663 WeakPolarHBondContact O-CA 3.27Å; C659-G663 PolarHBondContact O-N 3.23Å; N660-G663 PolarHBondContact O-N 3.05Å; M661-G663 VanDerWaalsContact C-N 3.28Å; M661-G663 PolarHBondContact O-N 2.76Å; G663-V665 PolarHBondContact O-N 2.67Å; G663-A666 WeakPolarHBondContact O-CB 3.36Å; G663-A666 PolarHBondContact O-N 2.99Å
664	A	35.7	Very low	40.4	Very low	93 Å²	93	77.7 Å²	77.7	77%	0.769	44%	0.44	S	S	*	.	H	α-helix	trans	-67.2	-26.4	173.4	0	0	0	0	0	112.6	N660 M661	N660-A664 WeakPolarHBondContact O-CB 3.38Å; N660-A664 PolarHBondContact O-N 2.89Å; M661-A664 PolarHBondContact O-N 3.16Å
665	V	32.3	Very low	40.4	Very low	89 Å²	89	81.8 Å²	81.8	54%	0.539	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	5.3	179.4	-175.8	0	0	0	0	111.9	M661 G662 G663 R667 S668 V671	M661-V665 WeakPolarHBondContact O-CG2 3.15Å; M661-V665 PolarHBondContact O-N 3.49Å; G662-V665 CarbonylContact O-C 3.35Å; G662-V665 PolarHBondContact O-N 3.09Å; G663-V665 PolarHBondContact O-N 2.67Å; V665-R667 PolarHBondContact O-N 3.23Å; V665-S668 PolarHBondContact O-OG 3.22Å; V665-V671 HydrophobicContact CB-CG2 3.88Å; V665-V671 HydrophobicContact CG1-CG2 3.77Å; V665-V671 WeakPolarHBondContact O-CG2 3.33Å
666	A	28	Very low	40.3	Very low	64 Å²	64	87 Å²	87	53%	0.529	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	41.8	-165.2	0	0	0	0	0	117.2	G662 G663	G662-A666 WeakPolarHBondContact O-CA 3.45Å; G662-A666 WeakPolarHBondContact O-CB 3.38Å; G662-A666 PolarHBondContact O-N 3.36Å; G663-A666 WeakPolarHBondContact O-CB 3.36Å; G663-A666 PolarHBondContact O-N 2.99Å
667	R	35	Very low	39.5	Very low	257 Å²	257	87.4 Å²	87.4	97%	0.97	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	-0.5	167	-71.2	-176.6	173.3	171.5	-2.2	113.6	V665	V665-R667 PolarHBondContact O-N 3.23Å
668	S	37	Very low	39	Very low	42 Å²	42	85.2 Å²	85.2	29%	0.294	50%	0.495	S	S	.	.	S	Bend	trans	-108.7	152.1	-177.2	62.6	0	0	0	0	113.8	V665 T670 V671	V665-S668 PolarHBondContact O-OG 3.22Å; S668-T670 PolarHBondContact O-N 3.28Å; S668-V671 PolarHBondContact O-N 2.65Å
669	S	35.6	Very low	39	Very low	91 Å²	91	86 Å²	86	64%	0.636	50%	0.499	S	S	*	.	H	α-helix	trans	-56	-35.7	166	43.8	0	0	0	0	111.9	V671 K672 E673	S669-V671 PolarHBondContact O-N 2.87Å; S669-K672 WeakPolarHBondContact O-CA 3.41Å; S669-K672 WeakPolarHBondContact O-CB 3.48Å; S669-K672 PolarHBondContact O-N 3.49Å; S669-E673 PolarHBondContact O-N 3.33Å
670	T	33.9	Very low	39	Very low	77 Å²	77	85.6 Å²	85.6	47%	0.472	49%	0.49	S	S	.	.	H	α-helix	trans	-56.2	-32.8	179.8	-31.9	0	0	0	0	113.2	S668 E673 V674	S668-T670 PolarHBondContact O-N 3.28Å; T670-E673 PolarHBondContact O-N 3.45Å; T670-V674 WeakPolarHBondContact O-CG2 3.41Å; T670-V674 PolarHBondContact O-N 3.22Å
671	V	34.7	Very low	38.7	Very low	31 Å²	31	84 Å²	84	19%	0.188	48%	0.479	C	S	.	.	H	α-helix	trans	-69.1	-38.1	174.6	173.2	0	0	0	0	111.4	V665 S668 S669 E673 H675	V665-V671 HydrophobicContact CB-CG2 3.88Å; V665-V671 HydrophobicContact CG1-CG2 3.77Å; V665-V671 WeakPolarHBondContact O-CG2 3.33Å; S668-V671 PolarHBondContact O-N 2.65Å; S669-V671 PolarHBondContact O-N 2.87Å; V671-E673 VanDerWaalsContact C-N 3.35Å; V671-H675 WeakPolarHBondContact O-CB 3.26Å; V671-H675 PolarHBondContact O-N 3.21Å
672	K	37.4	Very low	38.4	Very low	165 Å²	165	82.1 Å²	82.1	72%	0.717	47%	0.469	S	S	*	.	H	α-helix	trans	-64.6	-43	173.4	-64	-176.6	176.8	-179.3	0	110.9	S669 H675 T676	S669-K672 WeakPolarHBondContact O-CA 3.41Å; S669-K672 WeakPolarHBondContact O-CB 3.48Å; S669-K672 PolarHBondContact O-N 3.49Å; K672-H675 CarbonylContact O-C 3.4Å; K672-H675 WeakPolarHBondContact O-CA 3.45Å; K672-H675 PolarHBondContact O-N 3.44Å; K672-H675 VanDerWaalsContact O-N 3.16Å; K672-T676 PolarHBondContact O-N 3.35Å; K672-T676 PolarHBondContact O-OG1 2.93Å; K672-T676 VanDerWaalsContact O-OG1 3.14Å
673	E	38.8	Very low	38.5	Very low	115 Å²	115	81 Å²	81	54%	0.537	46%	0.458	S	S	.	.	H	α-helix	trans	-61.3	-49.9	-179.6	-168.3	168.7	-147.8	0	0	111.9	S669 T670 V671 H675 T676 C677	S669-E673 PolarHBondContact O-N 3.33Å; T670-E673 PolarHBondContact O-N 3.45Å; V671-E673 VanDerWaalsContact C-N 3.35Å; E673-H675 VanDerWaalsContact C-N 3.31Å; E673-H675 PolarHBondContact O-N 2.71Å; E673-T676 WeakPolarHBondContact CA-OG1 3.3Å; E673-T676 PolarHBondContact O-N 3.17Å; E673-T676 VanDerWaalsContact O-N 3.15Å; E673-T676 PolarHBondContact O-OG1 2.88Å; E673-C677 PolarHBondContact O-N 3.45Å; E673-C677 PolarHBondContact O-SG 3.17Å
674	V	39.1	Very low	38.7	Very low	78 Å²	78	82.7 Å²	82.7	47%	0.473	46%	0.455	S	S	.	.	H	α-helix	trans	-59.3	-42.2	170.9	171.5	0	0	0	0	111.2	T670 T676 C677 V678	T670-V674 WeakPolarHBondContact O-CG2 3.41Å; T670-V674 PolarHBondContact O-N 3.22Å; V674-T676 VanDerWaalsContact C-N 3.25Å; V674-T676 PolarHBondContact O-N 3Å; V674-C677 PolarHBondContact O-N 2.78Å; V674-V678 HydrophobicContact CG1-CG2 4.21Å; V674-V678 WeakPolarHBondContact O-CG2 3.38Å; V674-V678 PolarHBondContact O-N 3.38Å
675	H	43.3	Very low	39	Very low	105 Å²	105	81.4 Å²	81.4	49%	0.486	44%	0.437	S	S	.	.	H	α-helix	trans	-67.8	-22.7	179.1	-159.8	-54.8	0	0	0	113.2	V671 K672 E673 W680	V671-H675 WeakPolarHBondContact O-CB 3.26Å; V671-H675 PolarHBondContact O-N 3.21Å; K672-H675 CarbonylContact O-C 3.4Å; K672-H675 WeakPolarHBondContact O-CA 3.45Å; K672-H675 PolarHBondContact O-N 3.44Å; K672-H675 VanDerWaalsContact O-N 3.16Å; E673-H675 VanDerWaalsContact C-N 3.31Å; E673-H675 PolarHBondContact O-N 2.71Å; H675-W680 AromaticContact CD2-CZ2 3.98Å; H675-W680 AromaticContact CD2-NE1 3.95Å; H675-W680 AromaticContact CE1-CD1 3.65Å; H675-W680 AromaticContact CE1-CE2 3.93Å; H675-W680 AromaticContact CE1-NE1 3.37Å; H675-W680 PolarHBondContact CE1-NE1 2.84Å; H675-W680 AromaticContact CG-NE1 3.51Å; H675-W680 AromaticContact ND1-CD1 3.66Å; H675-W680 AromaticContact ND1-CE2 3.95Å; H675-W680 AromaticContact ND1-NE1 3.13Å; H675-W680 PolarHBondContact ND1-NE1 3.45Å; H675-W680 VanDerWaalsContact ND1-NE1 3.13Å; H675-W680 AromaticContact NE2-NE1 3.89Å; H675-W680 PolarHBondContact O-NE1 2.85Å; H675-W680 VanDerWaalsContact O-NE1 3.09Å
676	T	42.8	Very low	39	Very low	116 Å²	116	78.5 Å²	78.5	71%	0.712	43%	0.425	S	S	*	.	H	α-helix	trans	-84	-28.9	170.6	44.4	0	0	0	0	113.8	K672 E673 V674	K672-T676 PolarHBondContact O-N 3.35Å; K672-T676 PolarHBondContact O-OG1 2.93Å; K672-T676 VanDerWaalsContact O-OG1 3.14Å; E673-T676 WeakPolarHBondContact CA-OG1 3.3Å; E673-T676 PolarHBondContact O-N 3.17Å; E673-T676 VanDerWaalsContact O-N 3.15Å; E673-T676 PolarHBondContact O-OG1 2.88Å; V674-T676 VanDerWaalsContact C-N 3.25Å; V674-T676 PolarHBondContact O-N 3Å
677	C	37.6	Very low	39.3	Very low	108 Å²	108	81 Å²	81	73%	0.73	43%	0.43	S	S	*	.	H	α-helix	trans	-83.2	-21.8	178.7	-64.3	0	0	0	0	113.8	E673 V674	E673-C677 PolarHBondContact O-N 3.45Å; E673-C677 PolarHBondContact O-SG 3.17Å; V674-C677 PolarHBondContact O-N 2.78Å
678	V	40	Very low	39.1	Very low	26 Å²	26	74 Å²	74	16%	0.158	41%	0.411	C	S	.	.	S	Bend	trans	-87.6	122.3	179.4	172.7	0	0	0	0	111.2	V674 W680 V683	V674-V678 HydrophobicContact CG1-CG2 4.21Å; V674-V678 WeakPolarHBondContact O-CG2 3.38Å; V674-V678 PolarHBondContact O-N 3.38Å; V678-W680 VanDerWaalsContact C-N 3.34Å; V678-W680 HydrophobicContact CB-CD2 4.46Å; V678-W680 HydrophobicContact CB-CZ2 4.14Å; V678-W680 HydrophobicContact CG1-CD2 3.79Å; V678-W680 HydrophobicContact CG1-CE3 4.2Å; V678-W680 HydrophobicContact CG1-CG 4.15Å; V678-W680 HydrophobicContact CG1-CH2 4.44Å; V678-W680 HydrophobicContact CG1-CZ2 4.03Å; V678-W680 PolarHBondContact O-N 3.45Å; V678-W680 PolarHBondContact O-NE1 2.87Å; V678-V683 HydrophobicContact CG1-CG2 3.83Å
679	N	47.6	Very low	38.8	Very low	57 Å²	57	76.7 Å²	76.7	31%	0.305	42%	0.418	S	S	.	.			trans	-73.8	88.3	166.9	-175.8	-24.2	0	0	0	109.8	E681 Y682 V683	N679-E681 VanDerWaalsContact C-N 3.26Å; N679-E681 PolarHBondContact O-N 2.84Å; N679-E681 PolarHBondContact OD1-N 3.5Å; N679-Y682 WeakPolarHBondContact O-CB 3.24Å; N679-Y682 PolarHBondContact O-N 2.82Å; N679-Y682 VanDerWaalsContact O-N 3.17Å; N679-Y682 PolarHBondContact OD1-N 3.48Å; N679-V683 PolarHBondContact O-N 2.94Å
680	W	49.7	Very low	38.3	Very low	45 Å²	45	78 Å²	78	17%	0.17	42%	0.424	C	S	.	.	H	α-helix	trans	-61.6	-30.1	-179.4	-65.8	96.8	0	0	0	113.7	L658 C659 H675 V678 V683 L684	L658-W680 HydrophobicContact CB-CH2 4.06Å; L658-W680 HydrophobicContact CB-CZ3 4.05Å; C659-W680 VanDerWaalsContact SG-CZ3 3.55Å; H675-W680 AromaticContact CD2-CZ2 3.98Å; H675-W680 AromaticContact CD2-NE1 3.95Å; H675-W680 AromaticContact CE1-CD1 3.65Å; H675-W680 AromaticContact CE1-CE2 3.93Å; H675-W680 AromaticContact CE1-NE1 3.37Å; H675-W680 PolarHBondContact CE1-NE1 2.84Å; H675-W680 AromaticContact CG-NE1 3.51Å; H675-W680 AromaticContact ND1-CD1 3.66Å; H675-W680 AromaticContact ND1-CE2 3.95Å; H675-W680 AromaticContact ND1-NE1 3.13Å; H675-W680 PolarHBondContact ND1-NE1 3.45Å; H675-W680 VanDerWaalsContact ND1-NE1 3.13Å; H675-W680 AromaticContact NE2-NE1 3.89Å; H675-W680 PolarHBondContact O-NE1 2.85Å; H675-W680 VanDerWaalsContact O-NE1 3.09Å; V678-W680 VanDerWaalsContact C-N 3.34Å; V678-W680 HydrophobicContact CB-CD2 4.46Å; V678-W680 HydrophobicContact CB-CZ2 4.14Å; V678-W680 HydrophobicContact CG1-CD2 3.79Å; V678-W680 HydrophobicContact CG1-CE3 4.2Å; V678-W680 HydrophobicContact CG1-CG 4.15Å; V678-W680 HydrophobicContact CG1-CH2 4.44Å; V678-W680 HydrophobicContact CG1-CZ2 4.03Å; V678-W680 PolarHBondContact O-N 3.45Å; V678-W680 PolarHBondContact O-NE1 2.87Å; W680-V683 PolarHBondContact O-N 3.29Å; W680-L684 VanDerWaalsContact O-CB 3.29Å; W680-L684 WeakPolarHBondContact O-CB 3.36Å; W680-L684 WeakPolarHBondContact O-CD1 3.21Å; W680-L684 VanDerWaalsContact O-CG 3.24Å; W680-L684 WeakPolarHBondContact O-CG 3.33Å; W680-L684 PolarHBondContact O-N 2.93Å
681	E	44.3	Very low	37.9	Very low	79 Å²	79	78.3 Å²	78.3	37%	0.369	43%	0.428	S	S	.	.	H	α-helix	trans	-67	-39	175.7	-176.7	164.7	-155.8	0	0	111.4	N679 L684 T685 K689	N679-E681 VanDerWaalsContact C-N 3.26Å; N679-E681 PolarHBondContact O-N 2.84Å; N679-E681 PolarHBondContact OD1-N 3.5Å; E681-L684 PolarHBondContact O-N 3.48Å; E681-T685 HydrophobicContact CG-CG2 4.13Å; E681-T685 WeakPolarHBondContact O-CB 3.26Å; E681-T685 WeakPolarHBondContact O-CG2 3.45Å; E681-T685 PolarHBondContact O-N 3.3Å; E681-T685 PolarHBondContact O-OG1 3.33Å; E681-K689 VanDerWaalsContact CD-CE 3.42Å; E681-K689 WeakPolarHBondContact OE1-CE 3.3Å; E681-K689 IonicContact OE1-NZ 2.74Å; E681-K689 PolarHBondContact OE1-NZ 2.68Å; E681-K689 VanDerWaalsContact OE2-CD 3.31Å; E681-K689 WeakPolarHBondContact OE2-CD 3.14Å; E681-K689 VanDerWaalsContact OE2-CE 3.26Å; E681-K689 WeakPolarHBondContact OE2-CE 3.29Å; E681-K689 IonicContact OE2-NZ 2.71Å; E681-K689 PolarHBondContact OE2-NZ 2.81Å
682	Y	40.9	Very low	37.4	Very low	15 Å²	15	86.2 Å²	86.2	6%	0.059	46%	0.456	C	S	.	.	H	α-helix	trans	-65.7	-42.2	171.4	178.4	-109.9	0	0	0	112	T634 C638 N679 L684 G686 L688	T634-Y682 HydrophobicContact CG2-CD1 3.53Å; T634-Y682 HydrophobicContact CG2-CE1 3.94Å; T634-Y682 WeakPolarHBondContact O-CE1 3.27Å; C638-Y682 HydrophobicContact CB-CE1 3.67Å; C638-Y682 WeakPolarHBondContact CB-OH 3.31Å; C638-Y682 WeakPolarHBondContact SG-CE1 3.29Å; N679-Y682 WeakPolarHBondContact O-CB 3.24Å; N679-Y682 PolarHBondContact O-N 2.82Å; N679-Y682 VanDerWaalsContact O-N 3.17Å; N679-Y682 PolarHBondContact OD1-N 3.48Å; Y682-L684 PolarHBondContact O-N 3.39Å; Y682-G686 WeakPolarHBondContact CE2-O 3.34Å; Y682-G686 VanDerWaalsContact O-CA 3.25Å; Y682-G686 WeakPolarHBondContact O-CA 3.31Å; Y682-G686 PolarHBondContact O-N 3.17Å; Y682-L688 HydrophobicContact CD2-CB 3.76Å; Y682-L688 HydrophobicContact CD2-CD1 4.24Å; Y682-L688 HydrophobicContact CD2-CG 3.9Å; Y682-L688 HydrophobicContact CE2-CB 3.82Å; Y682-L688 HydrophobicContact CE2-CD1 3.95Å; Y682-L688 HydrophobicContact CE2-CG 4.06Å
683	V	38.6	Very low	36.6	Very low	2 Å²	2	86.4 Å²	86.4	1%	0.012	46%	0.459	C	S	.	.	H	α-helix	trans	-62.2	-41.2	176.3	174.7	0	0	0	0	111.7	N651 I654 L658 V678 N679 W680	N651-V683 VanDerWaalsContact CB-O 3.29Å; N651-V683 WeakPolarHBondContact CB-O 3.36Å; I654-V683 HydrophobicContact CG2-CG1 4.23Å; L658-V683 HydrophobicContact CD1-CG1 4.17Å; V678-V683 HydrophobicContact CG1-CG2 3.83Å; N679-V683 PolarHBondContact O-N 2.94Å; W680-V683 PolarHBondContact O-N 3.29Å
684	L	40.4	Very low	35.8	Very low	82 Å²	82	86.4 Å²	86.4	43%	0.429	47%	0.472	S	S	.	.	H	α-helix	trans	-74.3	-47.2	-179.9	-74.9	164.5	0	0	0	112.8	N651 S655 W680 E681 Y682	N651-L684 WeakPolarHBondContact CB-O 3.47Å; N651-L684 PolarHBondContact ND2-O 2.87Å; S655-L684 WeakPolarHBondContact OG-CD2 3.49Å; W680-L684 VanDerWaalsContact O-CB 3.29Å; W680-L684 WeakPolarHBondContact O-CB 3.36Å; W680-L684 WeakPolarHBondContact O-CD1 3.21Å; W680-L684 VanDerWaalsContact O-CG 3.24Å; W680-L684 WeakPolarHBondContact O-CG 3.33Å; W680-L684 PolarHBondContact O-N 2.93Å; E681-L684 PolarHBondContact O-N 3.48Å; Y682-L684 PolarHBondContact O-N 3.39Å
685	T	41.5	Very low	35.1	Very low	65 Å²	65	88.3 Å²	88.3	40%	0.399	48%	0.484	S	S	.	.	H	α-helix	trans	-94	-24.3	-170.9	67	0	0	0	0	113.7	E681 N687	E681-T685 HydrophobicContact CG-CG2 4.13Å; E681-T685 WeakPolarHBondContact O-CB 3.26Å; E681-T685 WeakPolarHBondContact O-CG2 3.45Å; E681-T685 PolarHBondContact O-N 3.3Å; E681-T685 PolarHBondContact O-OG1 3.33Å; T685-N687 PolarHBondContact O-N 3.15Å; T685-N687 PolarHBondContact OG1-N 2.96Å; T685-N687 PolarHBondContact OG1-O 2.71Å
686	G	32.8	Very low	34.1	Very low	28 Å²	28	88.5 Å²	88.5	29%	0.289	49%	0.492	S	S	.	.	S	Bend	trans	71.3	-4.9	-167.1	0	0	0	0	0	114	N651 Y682	N651-G686 WeakPolarHBondContact ND2-CA 3.26Å; N651-G686 PolarHBondContact ND2-N 3.22Å; N651-G686 VanDerWaalsContact ND2-N 3.11Å; Y682-G686 WeakPolarHBondContact CE2-O 3.34Å; Y682-G686 VanDerWaalsContact O-CA 3.25Å; Y682-G686 WeakPolarHBondContact O-CA 3.31Å; Y682-G686 PolarHBondContact O-N 3.17Å
687	N	33.6	Very low	33.1	Very low	117 Å²	117	89.1 Å²	89.1	63%	0.626	50%	0.496	S	S	*	.			trans	-94.7	120.5	179.7	-66.3	-30.8	0	0	0	109	T685 K689	T685-N687 PolarHBondContact O-N 3.15Å; T685-N687 PolarHBondContact OG1-N 2.96Å; T685-N687 PolarHBondContact OG1-O 2.71Å; N687-K689 PolarHBondContact O-N 2.99Å
688	L	30.9	Very low	32.6	Very low	110 Å²	110	90 Å²	90	58%	0.576	49%	0.493	S	S	*	.			trans	-81.5	98.4	175.6	-147.6	155.1	0	0	0	106.8	Y682	Y682-L688 HydrophobicContact CD2-CB 3.76Å; Y682-L688 HydrophobicContact CD2-CD1 4.24Å; Y682-L688 HydrophobicContact CD2-CG 3.9Å; Y682-L688 HydrophobicContact CE2-CB 3.82Å; Y682-L688 HydrophobicContact CE2-CD1 3.95Å; Y682-L688 HydrophobicContact CE2-CG 4.06Å
689	K	31.3	Very low	31.9	Very low	99 Å²	99	93.1 Å²	93.1	43%	0.43	51%	0.508	S	S	.	.			trans	-55	143	172.8	-93.6	-169.2	-177.6	155.7	0	109.3	E681 N687 C691	E681-K689 VanDerWaalsContact CD-CE 3.42Å; E681-K689 WeakPolarHBondContact OE1-CE 3.3Å; E681-K689 IonicContact OE1-NZ 2.74Å; E681-K689 PolarHBondContact OE1-NZ 2.68Å; E681-K689 VanDerWaalsContact OE2-CD 3.31Å; E681-K689 WeakPolarHBondContact OE2-CD 3.14Å; E681-K689 VanDerWaalsContact OE2-CE 3.26Å; E681-K689 WeakPolarHBondContact OE2-CE 3.29Å; E681-K689 IonicContact OE2-NZ 2.71Å; E681-K689 PolarHBondContact OE2-NZ 2.81Å; N687-K689 PolarHBondContact O-N 2.99Å; K689-C691 PolarHBondContact O-N 3.2Å
690	P	25.9	Very low	30.9	Very low	118 Å²	118	95.6 Å²	95.6	77%	0.766	52%	0.518	S	S	*	.			trans	-72.5	62	167.5	33	-35.4	0	0	0	110.2	Y692	P690-Y692 PolarHBondContact O-N 3.32Å; P690-Y692 VanDerWaalsContact O-N 3.16Å
691	C	24.9	Very low	29.8	Very low	83 Å²	83	102.4 Å²	102.4	56%	0.561	54%	0.544	S	S	*	.			trans	-76.4	99.9	171.6	-74.1	0	0	0	0	108.6	K689	K689-C691 PolarHBondContact O-N 3.2Å
692	Y	23.1	Very low	29	Very low	197 Å²	197	100.8 Å²	100.8	77%	0.773	54%	0.542	S	S	*	.			trans	-42.2	155.4	145.9	-65.6	-105.4	0	0	0	109.9	P690	P690-Y692 PolarHBondContact O-N 3.32Å; P690-Y692 VanDerWaalsContact O-N 3.16Å
693	H	22	Very low	28.3	Very low	169 Å²	169	104.9 Å²	104.9	78%	0.782	56%	0.564	S	S	*	*			trans	95	53.4	-173.5	-44.6	-18.8	0	0	0	116.7
694	S	22.5	Very low	27.8	Very low	115 Å²	115	111.4 Å²	111.4	80%	0.804	59%	0.592	S	S	*	*	S	Bend	trans	-132.2	16.9	133.1	61.7	0	0	0	0	112.5
695	T	22.4	Very low	27.3	Very low	119 Å²	119	115.2 Å²	115.2	73%	0.73	61%	0.608	S	S	*	*			trans	-88.7	-6.4	-179.2	42.9	0	0	0	0	113.8	V697	T695-V697 PolarHBondContact O-N 3.39Å; T695-V697 VanDerWaalsContact O-N 3.15Å
696	T	22.4	Very low	26.7	Very low	108 Å²	108	121.7 Å²	121.7	66%	0.663	63%	0.625	S	S	*	*	S	Bend	trans	-68.2	106.3	159.4	47.1	0	0	0	0	107.7	L698	T696-L698 PolarHBondContact O-N 3.38Å
697	V	23.4	Very low	26.4	Very low	130 Å²	130	130.1 Å²	130.1	79%	0.788	65%	0.648	S	S	*	*			trans	-48.6	127.5	158.8	178.9	0	0	0	0	106.8	T695 D699	T695-V697 PolarHBondContact O-N 3.39Å; T695-V697 VanDerWaalsContact O-N 3.15Å; V697-D699 PolarHBondContact O-N 3.46Å
698	L	26.1	Very low	26	Very low	127 Å²	127	130.7 Å²	130.7	67%	0.665	66%	0.658	S	S	*	*			trans	-68.3	92	166.5	-82.2	164.5	0	0	0	106.2	T696 E700	T696-L698 PolarHBondContact O-N 3.38Å; L698-E700 PolarHBondContact O-N 2.89Å
699	D	24.7	Very low	25.9	Very low	90 Å²	90	128.8 Å²	128.8	48%	0.481	67%	0.666	S	S	.	*			trans	-55.1	111.4	170.6	177.8	1	0	0	0	107.1	V697 R701 S702	V697-D699 PolarHBondContact O-N 3.46Å; D699-R701 PolarHBondContact O-N 2.98Å; D699-R701 VanDerWaalsContact O-N 3.09Å; D699-R701 WeakPolarHBondContact OD1-CB 3.35Å; D699-R701 PolarHBondContact OD1-N 3.4Å; D699-S702 WeakPolarHBondContact O-CB 3.5Å; D699-S702 PolarHBondContact O-N 3.37Å; D699-S702 PolarHBondContact O-OG 3.13Å
700	E	27	Very low	25.6	Very low	110 Å²	110	128.6 Å²	128.6	51%	0.514	68%	0.676	S	S	.	*	H	α-helix	trans	-59.4	-29.1	-169.6	-62.5	178.5	140.9	0	0	110.3	L698 S702 L703 F704	L698-E700 PolarHBondContact O-N 2.89Å; E700-S702 VanDerWaalsContact C-N 3.31Å; E700-S702 PolarHBondContact O-N 3.09Å; E700-L703 PolarHBondContact O-N 2.97Å; E700-F704 VanDerWaalsContact O-CD2 3.27Å; E700-F704 WeakPolarHBondContact O-CD2 3.37Å; E700-F704 PolarHBondContact O-N 3.16Å
701	R	26.6	Very low	25.6	Very low	187 Å²	187	128.3 Å²	128.3	71%	0.706	68%	0.677	S	S	*	*	H	α-helix	trans	-57.4	-40.9	172.8	-63	176.1	170.1	176.5	-2.9	112.7	D699 L703 F704 E705	D699-R701 PolarHBondContact O-N 2.98Å; D699-R701 VanDerWaalsContact O-N 3.09Å; D699-R701 WeakPolarHBondContact OD1-CB 3.35Å; D699-R701 PolarHBondContact OD1-N 3.4Å; R701-L703 PolarHBondContact O-N 3.05Å; R701-F704 PolarHBondContact O-N 3.33Å; R701-F704 VanDerWaalsContact O-N 3.17Å; R701-E705 WeakPolarHBondContact O-CG 3.47Å; R701-E705 PolarHBondContact O-N 2.94Å
702	S	28.4	Very low	25.7	Very low	46 Å²	46	130.3 Å²	130.3	32%	0.322	68%	0.681	S	S	.	*	H	α-helix	trans	-68.8	-15.8	-177.7	74.6	0	0	0	0	114.3	D699 E700 R706	D699-S702 WeakPolarHBondContact O-CB 3.5Å; D699-S702 PolarHBondContact O-N 3.37Å; D699-S702 PolarHBondContact O-OG 3.13Å; E700-S702 VanDerWaalsContact C-N 3.31Å; E700-S702 PolarHBondContact O-N 3.09Å; S702-R706 WeakPolarHBondContact O-CD 3.44Å; S702-R706 WeakPolarHBondContact O-CG 3.37Å
703	L	26.4	Very low	25.8	Very low	101 Å²	101	125.2 Å²	125.2	53%	0.529	67%	0.67	S	S	.	*	H	α-helix	trans	-86.9	-45.2	169.2	-81.2	163.1	0	0	0	111.3	E700 R701 R706	E700-L703 PolarHBondContact O-N 2.97Å; R701-L703 PolarHBondContact O-N 3.05Å; L703-R706 PolarHBondContact O-N 3.2Å
704	F	28.2	Very low	26	Very low	139 Å²	139	121 Å²	121	61%	0.61	66%	0.658	S	S	*	*	H	α-helix	trans	-65.3	-38.5	179.7	-77.2	-70.9	0	0	0	113.4	Y526 E700 R701 R706 W707	Y526-F704 HydrophobicContact CD1-CZ 4.49Å; Y526-F704 HydrophobicContact CE1-CE2 4.42Å; Y526-F704 HydrophobicContact CE1-CZ 4.25Å; E700-F704 VanDerWaalsContact O-CD2 3.27Å; E700-F704 WeakPolarHBondContact O-CD2 3.37Å; E700-F704 PolarHBondContact O-N 3.16Å; R701-F704 PolarHBondContact O-N 3.33Å; R701-F704 VanDerWaalsContact O-N 3.17Å; F704-R706 PolarHBondContact O-N 3.02Å; F704-R706 VanDerWaalsContact O-N 3.12Å; F704-W707 PolarHBondContact O-N 3.15Å
705	E	29.2	Very low	26.1	Very low	162 Å²	162	125.7 Å²	125.7	76%	0.757	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-16.9	175.1	-72.9	-177.3	168.3	0	0	113.7	R701	R701-E705 WeakPolarHBondContact O-CG 3.47Å; R701-E705 PolarHBondContact O-N 2.94Å
706	R	28.2	Very low	26.3	Very low	201 Å²	201	124.2 Å²	124.2	76%	0.758	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-2.4	-177.1	-73.2	-177.6	171	-175.7	-1	115.1	S702 L703 F704 P708	S702-R706 WeakPolarHBondContact O-CD 3.44Å; S702-R706 WeakPolarHBondContact O-CG 3.37Å; L703-R706 PolarHBondContact O-N 3.2Å; F704-R706 PolarHBondContact O-N 3.02Å; F704-R706 VanDerWaalsContact O-N 3.12Å; R706-P708 WeakPolarHBondContact O-CD 3.44Å
707	W	27	Very low	26.6	Very low	205 Å²	205	125.4 Å²	125.4	78%	0.777	64%	0.644	S	S	*	*			trans	-121.4	66.8	174.5	-81.1	-17.6	0	0	0	113.7	F704 G709	F704-W707 PolarHBondContact O-N 3.15Å; W707-G709 VanDerWaalsContact C-N 3.34Å; W707-G709 PolarHBondContact O-N 2.85Å
708	P	24.6	Very low	26.9	Very low	128 Å²	128	123.3 Å²	123.3	83%	0.831	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	89.7	169.2	30.9	-35	0	0	0	110.4	R706	R706-P708 WeakPolarHBondContact O-CD 3.44Å
709	G	30	Very low	27.2	Very low	71 Å²	71	121.9 Å²	121.9	73%	0.732	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	163.5	-19.2	-178.9	0	0	0	0	0	115	W707 S711	W707-G709 VanDerWaalsContact C-N 3.34Å; W707-G709 PolarHBondContact O-N 2.85Å; G709-S711 PolarHBondContact O-N 3.32Å; G709-S711 VanDerWaalsContact O-N 3.11Å
710	C	25.4	Very low	27.6	Very low	95 Å²	95	123.7 Å²	123.7	64%	0.642	63%	0.629	S	S	*	*			trans	-78.2	90.8	169.4	-69.9	0	0	0	0	110	L712	C710-L712 PolarHBondContact O-N 2.73Å
711	S	26.1	Very low	27.9	Very low	112 Å²	112	121.3 Å²	121.3	78%	0.783	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-62.3	118.4	166.3	39.9	0	0	0	0	109.5	G709 T713	G709-S711 PolarHBondContact O-N 3.32Å; G709-S711 VanDerWaalsContact O-N 3.11Å; S711-T713 PolarHBondContact O-N 3.35Å
712	L	25.7	Very low	28.1	Very low	124 Å²	124	116.5 Å²	116.5	65%	0.649	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-58.8	118.4	173.5	-73.9	160.2	0	0	0	108.9	C710 L716	C710-L712 PolarHBondContact O-N 2.73Å; L712-L716 HydrophobicContact CD2-CB 4.13Å; L712-L716 HydrophobicContact CD2-CD1 3.89Å; L712-L716 HydrophobicContact CD2-CD2 4.28Å; L712-L716 HydrophobicContact CD2-CG 4.32Å
713	T	26.2	Very low	28.4	Very low	90 Å²	90	117.8 Å²	117.8	55%	0.552	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-64.9	145.7	169.7	37.8	0	0	0	0	110.2	S711 W715 L716	S711-T713 PolarHBondContact O-N 3.35Å; T713-W715 PolarHBondContact O-N 3.42Å; T713-L716 PolarHBondContact O-N 3.22Å; T713-L716 VanDerWaalsContact O-N 3.09Å
714	P	25.8	Very low	28.9	Very low	82 Å²	82	119.7 Å²	119.7	53%	0.532	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.4	-15.1	-169.9	-29.3	36.1	0	0	0	116.7	L716 E717 V718	P714-L716 PolarHBondContact O-N 3.35Å; P714-E717 WeakPolarHBondContact O-CB 3.01Å; P714-E717 PolarHBondContact O-N 3.2Å; P714-V718 PolarHBondContact O-N 3.37Å
715	W	25.4	Very low	29.1	Very low	213 Å²	213	115.4 Å²	115.4	81%	0.807	62%	0.616	S	S	*	*	H	α-helix	trans	-59.8	-31.4	175.9	-61.8	67.5	0	0	0	112.4	T713 V718 D719	T713-W715 PolarHBondContact O-N 3.42Å; W715-V718 PolarHBondContact O-N 3.02Å; W715-D719 PolarHBondContact O-N 3.17Å; W715-D719 VanDerWaalsContact O-N 3.15Å
716	L	26.7	Very low	29.3	Very low	88 Å²	88	116 Å²	116	46%	0.461	61%	0.613	S	S	.	*	H	α-helix	trans	-79.4	-22.4	172.4	-95.4	125.2	0	0	0	113.5	L712 T713 P714 H720	L712-L716 HydrophobicContact CD2-CB 4.13Å; L712-L716 HydrophobicContact CD2-CD1 3.89Å; L712-L716 HydrophobicContact CD2-CD2 4.28Å; L712-L716 HydrophobicContact CD2-CG 4.32Å; T713-L716 PolarHBondContact O-N 3.22Å; T713-L716 VanDerWaalsContact O-N 3.09Å; P714-L716 PolarHBondContact O-N 3.35Å; L716-H720 WeakPolarHBondContact O-CB 3.19Å; L716-H720 PolarHBondContact O-N 2.88Å
717	E	28.3	Very low	29.5	Very low	133 Å²	133	111.1 Å²	111.1	62%	0.621	60%	0.602	S	S	*	*	H	α-helix	trans	-72.9	-33.4	168.8	-62.3	-175.3	127.9	0	0	110.9	P714 H720 A721	P714-E717 WeakPolarHBondContact O-CB 3.01Å; P714-E717 PolarHBondContact O-N 3.2Å; E717-H720 PolarHBondContact O-N 3.47Å; E717-A721 VanDerWaalsContact O-CB 3.28Å; E717-A721 WeakPolarHBondContact O-CB 3.41Å; E717-A721 PolarHBondContact O-N 3.02Å
718	V	29.4	Very low	29.7	Very low	85 Å²	85	103.8 Å²	103.8	52%	0.515	58%	0.584	S	S	.	*	H	α-helix	trans	-63.7	-46.8	171.5	173.4	0	0	0	0	111.2	P714 W715 H720 A721 L722	P714-V718 PolarHBondContact O-N 3.37Å; W715-V718 PolarHBondContact O-N 3.02Å; V718-H720 VanDerWaalsContact C-N 3.33Å; V718-H720 PolarHBondContact O-N 3.12Å; V718-A721 PolarHBondContact O-N 2.93Å; V718-L722 HydrophobicContact CG1-CD1 3.9Å; V718-L722 WeakPolarHBondContact O-CB 3.38Å; V718-L722 WeakPolarHBondContact O-CG 3.45Å; V718-L722 PolarHBondContact O-N 3.11Å
719	D	33.1	Very low	30	Very low	97 Å²	97	101.3 Å²	101.3	52%	0.519	57%	0.567	S	S	.	*	H	α-helix	trans	-61.6	-38.9	172.5	-88.3	-22.3	0	0	0	112.3	W715 L722 T723	W715-D719 PolarHBondContact O-N 3.17Å; W715-D719 VanDerWaalsContact O-N 3.15Å; D719-L722 PolarHBondContact O-N 2.74Å; D719-T723 WeakPolarHBondContact O-CB 3.49Å; D719-T723 PolarHBondContact O-N 2.8Å; D719-T723 PolarHBondContact O-OG1 2.86Å
720	H	33.1	Very low	30.1	Very low	129 Å²	129	100.7 Å²	100.7	60%	0.597	56%	0.555	S	S	*	*	H	α-helix	trans	-70.7	-32.1	178.7	-133.8	-27.9	0	0	0	112.7	L716 E717 V718 K724	L716-H720 WeakPolarHBondContact O-CB 3.19Å; L716-H720 PolarHBondContact O-N 2.88Å; E717-H720 PolarHBondContact O-N 3.47Å; V718-H720 VanDerWaalsContact C-N 3.33Å; V718-H720 PolarHBondContact O-N 3.12Å; H720-K724 WeakPolarHBondContact O-CG 3.18Å; H720-K724 PolarHBondContact O-N 3.32Å; H720-K724 VanDerWaalsContact O-N 3.17Å
721	A	32.4	Very low	30.2	Very low	60 Å²	60	103.1 Å²	103.1	50%	0.496	56%	0.561	S	S	.	*	H	α-helix	trans	-74.1	-41.1	173.4	0	0	0	0	0	111.9	E717 V718 K724 A725	E717-A721 VanDerWaalsContact O-CB 3.28Å; E717-A721 WeakPolarHBondContact O-CB 3.41Å; E717-A721 PolarHBondContact O-N 3.02Å; V718-A721 PolarHBondContact O-N 2.93Å; A721-K724 PolarHBondContact O-N 3.41Å; A721-A725 WeakPolarHBondContact O-CB 3.18Å; A721-A725 PolarHBondContact O-N 2.76Å
722	L	31.1	Very low	30.5	Very low	85 Å²	85	104.9 Å²	104.9	45%	0.445	56%	0.56	S	S	.	*	H	α-helix	trans	-61.8	-47.7	172.4	-82.5	164.9	0	0	0	111	V718 D719 K724 A725 Y726	V718-L722 HydrophobicContact CG1-CD1 3.9Å; V718-L722 WeakPolarHBondContact O-CB 3.38Å; V718-L722 WeakPolarHBondContact O-CG 3.45Å; V718-L722 PolarHBondContact O-N 3.11Å; D719-L722 PolarHBondContact O-N 2.74Å; L722-K724 VanDerWaalsContact C-N 3.33Å; L722-K724 PolarHBondContact O-N 3.4Å; L722-A725 CarbonylContact O-C 3.47Å; L722-A725 WeakPolarHBondContact O-CB 3.43Å; L722-A725 PolarHBondContact O-N 3.19Å; L722-Y726 HydrophobicContact CD2-CE2 4.44Å; L722-Y726 WeakPolarHBondContact O-CD2 3.36Å; L722-Y726 PolarHBondContact O-N 3.02Å
723	T	33.9	Very low	30.6	Very low	73 Å²	73	107.8 Å²	107.8	45%	0.448	58%	0.575	S	S	.	*	H	α-helix	trans	-56.3	-47.7	176.4	-52.6	0	0	0	0	110.6	D719 A725 Y726 D727	D719-T723 WeakPolarHBondContact O-CB 3.49Å; D719-T723 PolarHBondContact O-N 2.8Å; D719-T723 PolarHBondContact O-OG1 2.86Å; T723-A725 VanDerWaalsContact C-N 3.32Å; T723-A725 PolarHBondContact O-N 3.49Å; T723-Y726 PolarHBondContact O-N 2.74Å; T723-D727 WeakPolarHBondContact O-CB 3.46Å; T723-D727 PolarHBondContact O-N 3.14Å
724	K	37.5	Very low	30.8	Very low	142 Å²	142	108.7 Å²	108.7	62%	0.617	58%	0.576	S	S	*	*	H	α-helix	trans	-64	-32.1	175.1	-78.1	-179.4	176.3	179.1	0	114.1	H720 A721 L722 A728	H720-K724 WeakPolarHBondContact O-CG 3.18Å; H720-K724 PolarHBondContact O-N 3.32Å; H720-K724 VanDerWaalsContact O-N 3.17Å; A721-K724 PolarHBondContact O-N 3.41Å; L722-K724 VanDerWaalsContact C-N 3.33Å; L722-K724 PolarHBondContact O-N 3.4Å; K724-A728 WeakPolarHBondContact O-CB 3.39Å; K724-A728 PolarHBondContact O-N 2.93Å
725	A	33.2	Very low	31	Very low	48 Å²	48	110.1 Å²	110.1	40%	0.397	58%	0.579	S	S	.	*	H	α-helix	trans	-72.8	-38.9	175.6	0	0	0	0	0	111.7	A721 L722 T723 T729	A721-A725 WeakPolarHBondContact O-CB 3.18Å; A721-A725 PolarHBondContact O-N 2.76Å; L722-A725 CarbonylContact O-C 3.47Å; L722-A725 WeakPolarHBondContact O-CB 3.43Å; L722-A725 PolarHBondContact O-N 3.19Å; T723-A725 VanDerWaalsContact C-N 3.32Å; T723-A725 PolarHBondContact O-N 3.49Å; A725-T729 VanDerWaalsContact O-CB 3.31Å; A725-T729 WeakPolarHBondContact O-CB 3.47Å; A725-T729 PolarHBondContact O-N 3.16Å; A725-T729 PolarHBondContact O-OG1 3.23Å
726	Y	31.8	Very low	31.4	Very low	176 Å²	176	104.4 Å²	104.4	69%	0.69	57%	0.566	S	S	*	*	H	α-helix	trans	-64.4	-47.2	171.3	-86.4	-75.5	0	0	0	111.1	L722 T723 A728 T729 A730	L722-Y726 HydrophobicContact CD2-CE2 4.44Å; L722-Y726 WeakPolarHBondContact O-CD2 3.36Å; L722-Y726 PolarHBondContact O-N 3.02Å; T723-Y726 PolarHBondContact O-N 2.74Å; Y726-A728 VanDerWaalsContact C-N 3.34Å; Y726-A728 PolarHBondContact O-N 3.5Å; Y726-T729 PolarHBondContact O-N 3.2Å; Y726-A730 VanDerWaalsContact O-CB 3.31Å; Y726-A730 WeakPolarHBondContact O-CB 3.24Å; Y726-A730 PolarHBondContact O-N 2.95Å
727	D	33.3	Very low	31.6	Very low	98 Å²	98	105.4 Å²	105.4	52%	0.524	57%	0.572	S	S	.	*	H	α-helix	trans	-59.1	-42.6	175.2	-71.6	-27.8	0	0	0	112	T723 L731	T723-D727 WeakPolarHBondContact O-CB 3.46Å; T723-D727 PolarHBondContact O-N 3.14Å; D727-L731 PolarHBondContact O-N 3.07Å
728	A	30.4	Very low	31.8	Very low	50 Å²	50	103.6 Å²	103.6	41%	0.413	57%	0.569	S	S	.	*	H	α-helix	trans	-70.5	-33.8	177.8	0	0	0	0	0	112.9	K724 Y726 L731 I732	K724-A728 WeakPolarHBondContact O-CB 3.39Å; K724-A728 PolarHBondContact O-N 2.93Å; Y726-A728 VanDerWaalsContact C-N 3.34Å; Y726-A728 PolarHBondContact O-N 3.5Å; A728-L731 PolarHBondContact O-N 2.92Å; A728-I732 WeakPolarHBondContact O-CG1 3.17Å
729	T	31.1	Very low	32	Very low	77 Å²	77	104.9 Å²	104.9	47%	0.472	57%	0.573	S	S	.	*	H	α-helix	trans	-74.6	-36.2	177.2	-52	0	0	0	0	110.9	A725 Y726 L731 I732 L733	A725-T729 VanDerWaalsContact O-CB 3.31Å; A725-T729 WeakPolarHBondContact O-CB 3.47Å; A725-T729 PolarHBondContact O-N 3.16Å; A725-T729 PolarHBondContact O-OG1 3.23Å; Y726-T729 PolarHBondContact O-N 3.2Å; T729-L731 PolarHBondContact O-N 3.43Å; T729-I732 PolarHBondContact O-N 3.25Å; T729-I732 VanDerWaalsContact O-N 3.14Å; T729-L733 HydrophobicContact CG2-CD1 4.24Å; T729-L733 PolarHBondContact O-N 3.08Å; T729-L733 VanDerWaalsContact O-N 3.17Å
730	A	32.5	Very low	31.9	Very low	57 Å²	57	105.4 Å²	105.4	47%	0.471	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.7	7.3	170.3	0	0	0	0	0	114.1	Y726	Y726-A730 VanDerWaalsContact O-CB 3.31Å; Y726-A730 WeakPolarHBondContact O-CB 3.24Å; Y726-A730 PolarHBondContact O-N 2.95Å
731	L	27.4	Very low	31.9	Very low	147 Å²	147	103.6 Å²	103.6	77%	0.77	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.3	1.6	171.2	-107.4	159.3	0	0	0	112.5	D727 A728 T729	D727-L731 PolarHBondContact O-N 3.07Å; A728-L731 PolarHBondContact O-N 2.92Å; T729-L731 PolarHBondContact O-N 3.43Å
732	I	32.8	Very low	31.8	Very low	149 Å²	149	107.3 Å²	107.3	76%	0.764	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.9	-18.9	-179.7	-66.7	170.4	0	0	0	111.3	A728 T729	A728-I732 WeakPolarHBondContact O-CG1 3.17Å; T729-I732 PolarHBondContact O-N 3.25Å; T729-I732 VanDerWaalsContact O-N 3.14Å
733	L	26.8	Very low	31.9	Very low	185 Å²	185	109.3 Å²	109.3	97%	0.969	59%	0.594	S	S	*	*			trans	-97	0	166.9	-66	172.2	0	0	0	110.8	T729	T729-L733 HydrophobicContact CG2-CD1 4.24Å; T729-L733 PolarHBondContact O-N 3.08Å; T729-L733 VanDerWaalsContact O-N 3.17Å

Retrieved 733 of 733 residues in 451.1 ms (Link to these results)

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