A0A077ZA88_TRITR Loading...

Rap GAP domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZA88, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 768 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	34.1	Very low	39.5	Very low	253 Å²	253	144.7 Å²	144.7	100%	1.246	84%	0.836	S	S	*	*				0	166.8	0	-74.4	175.4	169.2	0	0	108.9
2	S	36.1	Very low	39.4	Very low	105 Å²	105	148.3 Å²	148.3	73%	0.734	83%	0.834	S	S	*	*			trans	-131.2	171.7	-164.9	49.4	0	0	0	0	112.8
3	L	39.2	Very low	39.3	Very low	168 Å²	168	142.4 Å²	142.4	88%	0.88	81%	0.808	S	S	*	*			trans	74.8	142.3	172.9	-46.1	173	0	0	0	115.5
4	G	40.1	Very low	39.1	Very low	65 Å²	65	139.4 Å²	139.4	67%	0.67	80%	0.801	S	S	*	*			cis	118.3	118.3	-14.3	0	0	0	0	0	116.4
5	R	41.4	Very low	38.9	Very low	258 Å²	258	135.6 Å²	135.6	97%	0.974	79%	0.786	S	S	*	*			trans	-179.1	149.5	164.4	-94.8	148.7	-168.3	-111.2	3.3	106.7
6	G	38.3	Very low	38.4	Very low	67 Å²	67	141.1 Å²	141.1	69%	0.691	79%	0.792	S	S	*	*			cis	176.8	-163	-0.2	0	0	0	0	0	107.7
7	T	42.7	Very low	38.5	Very low	137 Å²	137	140.1 Å²	140.1	84%	0.84	79%	0.792	S	S	*	*			cis	173.4	140.6	-23.5	24.7	0	0	0	0	106.8
8	C	33.1	Very low	37.9	Very low	124 Å²	124	138.7 Å²	138.7	84%	0.838	79%	0.793	S	S	*	*			cis	-163.9	164.7	-9.2	-159	0	0	0	0	110.1
9	S	36.9	Very low	37.5	Very low	108 Å²	108	140.5 Å²	140.5	76%	0.755	80%	0.799	S	S	*	*			trans	-81.3	176.1	175.4	-38.2	0	0	0	0	113.6
10	P	52.4	Low	36.9	Very low	107 Å²	107	142.8 Å²	142.8	70%	0.695	80%	0.799	S	S	*	*			trans	-150.4	128.7	141.3	34	-14.7	0	0	0	119.2
11	K	40.2	Very low	36.6	Very low	200 Å²	200	145.3 Å²	145.3	87%	0.87	80%	0.802	S	S	*	*			trans	69.4	152.1	131.1	-63.9	167.3	-171.9	172.8	0	118.7
12	K	38.9	Very low	36.2	Very low	187 Å²	187	139.5 Å²	139.5	81%	0.813	78%	0.781	S	S	*	*			cis	-162.2	-167.6	5.5	-122.8	-162.4	141.5	-139.2	0	106.5
13	S	37.2	Very low	36	Very low	72 Å²	72	140.6 Å²	140.6	50%	0.503	78%	0.784	S	S	.	*				-179.7	149.3	-52.8	58.6	0	0	0	0	107.7
14	S	37.1	Very low	35.3	Very low	101 Å²	101	137.8 Å²	137.8	71%	0.706	77%	0.773	S	S	*	*			cis	-160.7	-129.1	-3.6	34.2	0	0	0	0	107.2
15	S	36.2	Very low	35	Very low	82 Å²	82	142.7 Å²	142.7	57%	0.573	78%	0.784	S	S	*	*			cis	-175.5	134	-3.5	8.7	0	0	0	0	112.7
16	Y	30.2	Very low	34.2	Very low	224 Å²	224	138.4 Å²	138.4	88%	0.878	78%	0.775	S	S	*	*			trans	65.7	163.9	145.1	-60.2	-49.6	0	0	0	122.7
17	P	40	Very low	33.9	Very low	124 Å²	124	141.1 Å²	141.1	81%	0.805	78%	0.778	S	S	*	*			cis	-130	-175.3	-18.3	25.6	-2.1	0	0	0	115.2
18	S	28	Very low	33.3	Very low	115 Å²	115	140 Å²	140	80%	0.804	77%	0.773	S	S	*	*			trans	-90.5	160.5	-179.5	57	0	0	0	0	116.1
19	L	31.3	Very low	33	Very low	172 Å²	172	145.3 Å²	145.3	90%	0.901	78%	0.777	S	S	*	*			trans	-140	154.8	155.5	-118.9	170.3	0	0	0	111.3
20	K	25.6	Very low	32.3	Very low	186 Å²	186	145.8 Å²	145.8	81%	0.809	78%	0.78	S	S	*	*			trans	-106.3	150.1	178.4	-63	177.9	-179.8	178	0	110.2
21	F	30.2	Very low	31.1	Very low	196 Å²	196	145 Å²	145	86%	0.86	78%	0.783	S	S	*	*			trans	-142	138.6	148.9	-114.6	-83	0	0	0	110.9
22	T	24.8	Very low	30.5	Very low	131 Å²	131	142.9 Å²	142.9	80%	0.804	78%	0.779	S	S	*	*			trans	-126.4	116.4	176.9	45.7	0	0	0	0	108.4
23	T	31.8	Very low	29.8	Very low	128 Å²	128	139.7 Å²	139.7	79%	0.785	78%	0.781	S	S	*	*			trans	-135.8	123.5	170	-48.5	0	0	0	0	109.8
24	T	25.9	Very low	29.4	Very low	109 Å²	109	143.5 Å²	143.5	67%	0.669	79%	0.79	S	S	*	*			trans	-72.8	137.5	178.9	-48.9	0	0	0	0	111.4	Q26	T24-Q26 HydrophobicContact CG2-CG 4.2Å
25	L	32.2	Very low	28.9	Very low	169 Å²	169	143 Å²	143	89%	0.885	79%	0.787	S	S	*	*			trans	-141.9	112.8	146.4	-100.4	176.8	0	0	0	109.3
26	Q	25.1	Very low	28.4	Very low	168 Å²	168	146.3 Å²	146.3	79%	0.785	80%	0.803	S	S	*	*			trans	-90.3	133	170	-68.2	166.7	-91.7	0	0	109.1	T24	T24-Q26 HydrophobicContact CG2-CG 4.2Å
27	T	31.9	Very low	28.2	Very low	124 Å²	124	140.9 Å²	140.9	76%	0.761	79%	0.794	S	S	*	*			trans	-129.8	117.5	159.3	44.1	0	0	0	0	108.7
28	P	29.7	Very low	27.5	Very low	113 Å²	113	141.8 Å²	141.8	73%	0.734	79%	0.792	S	S	*	*			trans	-89.1	123	-176.2	32.6	-31.7	0	0	0	111.6
29	Y	28	Very low	27.3	Very low	235 Å²	235	145.7 Å²	145.7	92%	0.922	79%	0.79	S	S	*	*			trans	-130.4	81.9	161.6	-90.7	-78.7	0	0	0	110
30	S	22.9	Very low	27	Very low	118 Å²	118	147.3 Å²	147.3	83%	0.825	79%	0.79	S	S	*	*			trans	-131.8	65.7	176.3	60.4	0	0	0	0	110.2
31	A	25.9	Very low	27	Very low	91 Å²	91	144 Å²	144	75%	0.752	79%	0.79	S	S	*	*			trans	-151.5	155.1	172.3	0	0	0	0	0	110.1
32	I	28.3	Very low	26.6	Very low	155 Å²	155	144 Å²	144	80%	0.795	79%	0.79	S	S	*	*			trans	75.7	64.3	-175.5	-42.7	174.9	0	0	0	114.1	H34	I32-H34 HydrophobicContact CG2-CB 4.46Å
33	S	24.3	Very low	26.7	Very low	120 Å²	120	143.4 Å²	143.4	84%	0.839	79%	0.791	S	S	*	*			trans	-93	78.5	155.6	57.8	0	0	0	0	109.7
34	H	28.7	Very low	26.6	Very low	152 Å²	152	146.1 Å²	146.1	70%	0.704	79%	0.792	S	S	*	*			trans	-121.5	110.2	177.8	-80.5	-86.7	0	0	0	111.9	I32 V36	I32-H34 HydrophobicContact CG2-CB 4.46Å; H34-V36 PolarHBondContact O-N 3.4Å
35	S	25.8	Very low	26.7	Very low	92 Å²	92	147 Å²	147	64%	0.643	79%	0.788	S	S	*	*			trans	34.5	77.6	152	59.7	0	0	0	0	117.7	T37	S35-T37 VanDerWaalsContact C-N 3.34Å; S35-T37 PolarHBondContact O-N 3Å
36	V	25.4	Very low	26.4	Very low	150 Å²	150	146.1 Å²	146.1	91%	0.909	79%	0.79	S	S	*	*			trans	-84.9	79.5	161.7	-176	0	0	0	0	108.3	H34	H34-V36 PolarHBondContact O-N 3.4Å
37	T	26	Very low	26.4	Very low	111 Å²	111	143.8 Å²	143.8	68%	0.681	78%	0.779	S	S	*	*			trans	-147.4	-35.4	-178.4	-26.4	0	0	0	0	113.9	S35 Y39	S35-T37 VanDerWaalsContact C-N 3.34Å; S35-T37 PolarHBondContact O-N 3Å; T37-Y39 PolarHBondContact O-N 3.25Å
38	D	25.2	Very low	26.2	Very low	143 Å²	143	143.7 Å²	143.7	77%	0.765	78%	0.78	S	S	*	*			trans	-101.4	57.2	-173.3	-63.7	-59.1	0	0	0	114.6
39	Y	25	Very low	26.1	Very low	197 Å²	197	147.4 Å²	147.4	77%	0.773	78%	0.781	S	S	*	*			trans	-130	27.8	175.8	-90.4	-75.3	0	0	0	114.7	T37	T37-Y39 PolarHBondContact O-N 3.25Å
40	F	25.3	Very low	26	Very low	205 Å²	205	147.4 Å²	147.4	90%	0.899	78%	0.779	S	S	*	*			trans	-119.4	48.3	-179.4	-91	-74.8	0	0	0	114.8
41	C	24.1	Very low	26.4	Very low	118 Å²	118	148.9 Å²	148.9	80%	0.797	78%	0.777	S	S	*	*			trans	-166.9	88.2	158.4	-127.2	0	0	0	0	113.6
42	F	23.4	Very low	26.4	Very low	196 Å²	196	155 Å²	155	86%	0.86	78%	0.781	S	S	*	*			trans	-164.5	51.9	156.1	-108.4	-61.4	0	0	0	114.8
43	S	25.7	Very low	26.4	Very low	118 Å²	118	151.7 Å²	151.7	83%	0.825	79%	0.785	S	S	*	*			trans	-112.4	81.2	167.3	-66.4	0	0	0	0	110.4	E45	S43-E45 PolarHBondContact O-N 2.95Å
44	K	29.3	Very low	26.8	Very low	184 Å²	184	150.2 Å²	150.2	80%	0.8	78%	0.775	S	S	*	*			trans	-76.7	89.3	172.4	-82.3	-167.5	174.2	-175.8	0	110.8
45	E	28.3	Very low	26.8	Very low	129 Å²	129	148.9 Å²	148.9	60%	0.603	78%	0.78	S	S	*	*			trans	29.2	103.8	130.4	-168.8	164.5	-126.7	0	0	117.4	S43 Q47	S43-E45 PolarHBondContact O-N 2.95Å; E45-Q47 HydrophobicContact CG-CB 4.43Å; E45-Q47 HydrophobicContact CG-CG 3.8Å; E45-Q47 PolarHBondContact OE1-NE2 3Å
46	V	27.2	Very low	27.1	Very low	150 Å²	150	155.1 Å²	155.1	91%	0.909	79%	0.789	S	S	*	*			trans	-106.1	80.7	160.5	-177	0	0	0	0	108.3
47	Q	24.8	Very low	27.4	Very low	119 Å²	119	154 Å²	154	56%	0.556	79%	0.785	S	S	*	*			trans	-80.8	146.7	163.6	-73.2	-165.7	32.5	0	0	110.2	E45 Y49	E45-Q47 HydrophobicContact CG-CB 4.43Å; E45-Q47 HydrophobicContact CG-CG 3.8Å; E45-Q47 PolarHBondContact OE1-NE2 3Å; Q47-Y49 PolarHBondContact O-N 3.44Å; Q47-Y49 VanDerWaalsContact O-N 3.11Å
48	P	26	Very low	27.7	Very low	121 Å²	121	157.5 Å²	157.5	79%	0.786	79%	0.791	S	S	*	*			trans	-68.6	108.3	170.4	29	-32.9	0	0	0	109.4	R50	P48-R50 PolarHBondContact O-N 2.83Å
49	Y	28	Very low	28.1	Very low	192 Å²	192	155.4 Å²	155.4	75%	0.753	79%	0.793	S	S	*	*			trans	-68.2	99.8	-172.6	-150.3	-86.7	0	0	0	111.1	Q47	Q47-Y49 PolarHBondContact O-N 3.44Å; Q47-Y49 VanDerWaalsContact O-N 3.11Å
50	R	27	Very low	28.3	Very low	235 Å²	235	149.9 Å²	149.9	89%	0.887	78%	0.78	S	S	*	*			trans	-70.7	129.3	168.3	-104.4	-176.9	171	173.1	-2.2	109.2	P48 R52	P48-R50 PolarHBondContact O-N 2.83Å; R50-R52 PolarHBondContact O-N 2.8Å
51	D	29.8	Very low	28.8	Very low	148 Å²	148	146.2 Å²	146.2	79%	0.791	77%	0.774	S	S	*	*			trans	-62.2	118.6	-169.2	-172.4	15.3	0	0	0	113.4
52	R	27	Very low	29.1	Very low	220 Å²	220	144.5 Å²	144.5	83%	0.83	76%	0.764	S	S	*	*			trans	-145.3	131.5	155.2	-68.7	-164.4	-176.1	-128	-1.1	108.2	R50 S54	R50-R52 PolarHBondContact O-N 2.8Å; R52-S54 PolarHBondContact O-N 2.88Å
53	G	29.2	Very low	30	Very low	85 Å²	85	140.5 Å²	140.5	88%	0.876	75%	0.748	S	S	*	*			trans	-63.2	122.9	-167.4	0	0	0	0	0	115
54	S	31.7	Very low	30.7	Very low	90 Å²	90	142 Å²	142	63%	0.629	75%	0.747	S	S	*	*			trans	-142.4	131.7	154.1	179.1	0	0	0	0	106.7	R52 R56	R52-S54 PolarHBondContact O-N 2.88Å; S54-R56 PolarHBondContact O-N 3.41Å; S54-R56 VanDerWaalsContact O-N 3.11Å
55	P	28.5	Very low	31.6	Very low	123 Å²	123	135.2 Å²	135.2	80%	0.799	72%	0.72	S	S	*	*			trans	-67.9	114.6	-173.5	26.9	-33.3	0	0	0	110.3
56	R	33.1	Very low	32.8	Very low	223 Å²	223	134 Å²	134	84%	0.842	72%	0.718	S	S	*	*			trans	-54	138.6	161.6	-72.8	-174.5	177.9	-172.6	-0	108	S54 K58	S54-R56 PolarHBondContact O-N 3.41Å; S54-R56 VanDerWaalsContact O-N 3.11Å; R56-K58 PolarHBondContact O-N 3.39Å
57	P	30.7	Very low	34	Very low	127 Å²	127	133.1 Å²	133.1	83%	0.825	70%	0.704	S	S	*	*			trans	-63.2	102.6	168.6	27.3	-32.6	0	0	0	108	A59	P57-A59 PolarHBondContact O-N 3.2Å
58	K	32	Very low	35.4	Very low	185 Å²	185	133.2 Å²	133.2	80%	0.804	71%	0.708	S	S	*	*			trans	-63.4	103.6	164.9	-77.8	-170.5	176.4	-173.8	0	106.5	R56 T60	R56-K58 PolarHBondContact O-N 3.39Å; K58-T60 PolarHBondContact O-N 3.06Å
59	A	34.4	Very low	37.5	Very low	98 Å²	98	128.8 Å²	128.8	81%	0.81	68%	0.677	S	S	*	*			trans	-70.5	37.1	166	0	0	0	0	0	111.5	P57 V61	P57-A59 PolarHBondContact O-N 3.2Å; A59-V61 PolarHBondContact O-N 3.27Å; A59-V61 VanDerWaalsContact O-N 3.12Å
60	T	28.5	Very low	40.1	Very low	81 Å²	81	121.5 Å²	121.5	50%	0.497	65%	0.654	S	S	.	*			trans	-85.9	64.6	171.5	-46.5	0	0	0	0	107.6	K58 S62	K58-T60 PolarHBondContact O-N 3.06Å; T60-S62 VanDerWaalsContact C-N 3.32Å; T60-S62 PolarHBondContact O-N 3.39Å; T60-S62 VanDerWaalsContact O-N 3.1Å
61	V	35.4	Very low	42.9	Very low	128 Å²	128	111.8 Å²	111.8	78%	0.776	62%	0.619	S	S	*	*			trans	-73.9	96.6	163.6	177.9	0	0	0	0	106	A59 Q63	A59-V61 PolarHBondContact O-N 3.27Å; A59-V61 VanDerWaalsContact O-N 3.12Å; V61-Q63 PolarHBondContact O-N 3.47Å
62	S	30.9	Very low	45.5	Very low	83 Å²	83	111.2 Å²	111.2	58%	0.58	61%	0.612	S	S	*	*			trans	-60.5	111.5	177.5	-57.8	0	0	0	0	110.1	T60	T60-S62 VanDerWaalsContact C-N 3.32Å; T60-S62 PolarHBondContact O-N 3.39Å; T60-S62 VanDerWaalsContact O-N 3.1Å
63	Q	42.4	Very low	48.2	Very low	112 Å²	112	105.2 Å²	105.2	52%	0.523	59%	0.593	S	S	.	*			trans	-61	140.7	139.5	-65.5	-174.4	-13.5	0	0	106.7	V61 V65	V61-Q63 PolarHBondContact O-N 3.47Å; Q63-V65 PolarHBondContact O-N 3.1Å
64	N	40.3	Very low	51	Low	150 Å²	150	101.5 Å²	101.5	80%	0.802	55%	0.553	S	S	*	*	S	Bend	trans	-76.6	46.3	-178.6	-83.7	-17.8	0	0	0	112.9
65	V	48.7	Very low	53.6	Low	41 Å²	41	98.7 Å²	98.7	25%	0.248	53%	0.531	C	S	.	.			trans	-85.9	121.6	158.3	-180	0	0	0	0	105.8	Q63 Q67 I74 P82	Q63-V65 PolarHBondContact O-N 3.1Å; V65-Q67 PolarHBondContact O-N 2.8Å; V65-I74 HydrophobicContact CG1-CD1 3.53Å; V65-I74 HydrophobicContact CG1-CG1 3.99Å; V65-P82 HydrophobicContact CG2-CG 4.21Å
66	N	53.1	Low	56.5	Low	103 Å²	103	97.5 Å²	97.5	55%	0.551	53%	0.526	S	S	*	.			trans	-69.3	134.1	176.6	-163.2	1.2	0	0	0	108.3	N68 E69	N66-N68 PolarHBondContact O-N 2.81Å; N66-E69 HydrophobicContact CB-CG 3.96Å; N66-E69 WeakPolarHBondContact CB-OE2 3.39Å; N66-E69 PolarHBondContact N-OE2 3.5Å; N66-E69 WeakPolarHBondContact O-CB 3.3Å; N66-E69 PolarHBondContact O-N 3.43Å
67	Q	52.7	Low	59	Low	132 Å²	132	94.4 Å²	94.4	62%	0.617	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.3	-173	-70.5	-175.8	-23.9	0	0	113.6	V65	V65-Q67 PolarHBondContact O-N 2.8Å
68	N	54.9	Low	61.2	Low	120 Å²	120	90.1 Å²	90.1	64%	0.642	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	4.2	177	-58.2	-5.1	0	0	0	113.4	N66 Q88	N66-N68 PolarHBondContact O-N 2.81Å; N68-Q88 PolarHBondContact O-NE2 2.76Å; N68-Q88 VanDerWaalsContact O-NE2 3.16Å
69	E	69.3	Low	63.6	Low	28 Å²	28	83.8 Å²	83.8	13%	0.131	48%	0.48	C	S	.	.			trans	-72.1	145.6	174.3	-88.5	176.7	117.1	0	0	111.4	N66 Q73 I74 R77 Q88	N66-E69 HydrophobicContact CB-CG 3.96Å; N66-E69 WeakPolarHBondContact CB-OE2 3.39Å; N66-E69 PolarHBondContact N-OE2 3.5Å; N66-E69 WeakPolarHBondContact O-CB 3.3Å; N66-E69 PolarHBondContact O-N 3.43Å; E69-Q73 HydrophobicContact CB-CB 4.39Å; E69-Q73 HydrophobicContact CG-CB 4.31Å; E69-I74 HydrophobicContact CB-CG1 4.46Å; E69-R77 IonicContact OE1-CZ 3.44Å; E69-R77 IonicContact OE1-NE 2.81Å; E69-R77 PolarHBondContact OE1-NE 3.17Å; E69-R77 IonicContact OE1-NH2 2.94Å; E69-R77 PolarHBondContact OE1-NH2 3.19Å; E69-R77 IonicContact OE2-CZ 3.34Å; E69-R77 IonicContact OE2-NE 3.78Å; E69-R77 IonicContact OE2-NH2 3.71Å; E69-R77 PolarHBondContact OE2-NH2 3.26Å; E69-Q88 PolarHBondContact O-NE2 3.41Å
70	S	82.4	Confident	66	Low	39 Å²	39	84.3 Å²	84.3	27%	0.273	48%	0.475	S	S	.	.			trans	-80	154.8	171.5	78.6	0	0	0	0	110.7	Q72 Q73 I74	S70-Q72 PolarHBondContact O-N 3.23Å; S70-Q72 VanDerWaalsContact O-N 3.16Å; S70-Q73 WeakPolarHBondContact O-CB 3.47Å; S70-Q73 PolarHBondContact O-N 3.34Å; S70-Q73 WeakPolarHBondContact OG-CG 3.46Å; S70-Q73 PolarHBondContact OG-N 2.95Å; S70-I74 PolarHBondContact O-N 2.99Å; S70-I74 VanDerWaalsContact O-N 3.12Å
71	I	85.6	Confident	68.9	Low	31 Å²	31	82.3 Å²	82.3	16%	0.159	46%	0.459	C	S	.	.	H	α-helix	trans	-58.2	-30.1	176.7	-167.2	165.4	0	0	0	112.8	I74 L75 T264 P362 V364 M367	I71-I74 PolarHBondContact O-N 2.94Å; I71-L75 WeakPolarHBondContact O-CG 3.36Å; I71-L75 PolarHBondContact O-N 2.79Å; I71-T264 HydrophobicContact CB-CG2 4.39Å; I71-T264 HydrophobicContact CD1-CG2 3.59Å; I71-T264 HydrophobicContact CG1-CG2 3.71Å; I71-T264 HydrophobicContact CG2-CG2 3.85Å; I71-P362 HydrophobicContact CD1-CB 3.96Å; I71-P362 HydrophobicContact CG1-CB 3.86Å; I71-P362 HydrophobicContact CG1-CG 4.32Å; I71-V364 HydrophobicContact CD1-CG2 4.26Å; I71-M367 HydrophobicContact CD1-SD 3.44Å; I71-M367 WeakPolarHBondContact CD1-SD 3.28Å
72	Q	83.9	Confident	71.5	Confident	137 Å²	137	76.8 Å²	76.8	64%	0.64	43%	0.426	S	S	*	.	H	α-helix	trans	-68.6	-38.5	173.8	-64.3	176.7	-9.2	0	0	112.3	S70 L75 S76	S70-Q72 PolarHBondContact O-N 3.23Å; S70-Q72 VanDerWaalsContact O-N 3.16Å; Q72-L75 PolarHBondContact O-N 3.45Å; Q72-S76 PolarHBondContact O-N 2.79Å
73	Q	85.5	Confident	74.4	Confident	94 Å²	94	73 Å²	73	44%	0.439	40%	0.399	S	S	.	.	H	α-helix	trans	-65	-40.6	174.3	-71.9	165.6	-23.2	0	0	111	E69 S70 L75 S76 R77	E69-Q73 HydrophobicContact CB-CB 4.39Å; E69-Q73 HydrophobicContact CG-CB 4.31Å; S70-Q73 WeakPolarHBondContact O-CB 3.47Å; S70-Q73 PolarHBondContact O-N 3.34Å; S70-Q73 WeakPolarHBondContact OG-CG 3.46Å; S70-Q73 PolarHBondContact OG-N 2.95Å; Q73-L75 PolarHBondContact O-N 3.48Å; Q73-S76 WeakPolarHBondContact CA-OG 3.49Å; Q73-S76 PolarHBondContact O-N 2.88Å; Q73-S76 PolarHBondContact O-OG 2.74Å; Q73-R77 PolarHBondContact O-N 2.84Å
74	I	86.3	Confident	76.8	Confident	6 Å²	6	68.2 Å²	68.2	3%	0.031	38%	0.377	C	S	.	.	H	α-helix	trans	-60.4	-45.7	174.7	-61.2	173.5	0	0	0	110.9	V65 E69 S70 I71 S76 R77 Y81 P82 V85 P362	V65-I74 HydrophobicContact CG1-CD1 3.53Å; V65-I74 HydrophobicContact CG1-CG1 3.99Å; E69-I74 HydrophobicContact CB-CG1 4.46Å; S70-I74 PolarHBondContact O-N 2.99Å; S70-I74 VanDerWaalsContact O-N 3.12Å; I71-I74 PolarHBondContact O-N 2.94Å; I74-S76 PolarHBondContact O-N 2.69Å; I74-R77 PolarHBondContact O-N 2.84Å; I74-Y81 HydrophobicContact CG2-CD1 4.34Å; I74-Y81 WeakPolarHBondContact O-CE1 3.28Å; I74-P82 HydrophobicContact CG2-CG 3.89Å; I74-V85 HydrophobicContact CD1-CB 4.43Å; I74-V85 HydrophobicContact CD1-CG1 3.84Å; I74-V85 HydrophobicContact CD1-CG2 3.78Å; I74-P362 HydrophobicContact CB-CG 4.46Å; I74-P362 HydrophobicContact CG2-CG 3.74Å
75	L	87.6	Confident	79.3	Confident	32 Å²	32	61.9 Å²	61.9	17%	0.168	34%	0.344	C	S	.	.	H	α-helix	trans	-62.8	-39.4	175.6	-74.5	169.1	0	0	0	112.6	I71 Q72 Q73 R77 G78 Y81 T264 P362	I71-L75 WeakPolarHBondContact O-CG 3.36Å; I71-L75 PolarHBondContact O-N 2.79Å; Q72-L75 PolarHBondContact O-N 3.45Å; Q73-L75 PolarHBondContact O-N 3.48Å; L75-R77 VanDerWaalsContact C-N 3.26Å; L75-R77 PolarHBondContact O-N 3.39Å; L75-G78 PolarHBondContact O-N 2.87Å; L75-Y81 HydrophobicContact CD2-CE1 4.26Å; L75-Y81 PolarHBondContact O-OH 2.82Å; L75-T264 HydrophobicContact CD1-CG2 3.71Å; L75-P362 HydrophobicContact CD2-CG 4.26Å; L75-P362 HydrophobicContact CG-CG 4.38Å
76	S	87.8	Confident	81.3	Confident	98 Å²	98	63.1 Å²	63.1	69%	0.685	35%	0.348	S	S	*	.	H	α-helix	trans	-67.5	-19	-179.1	71.1	0	0	0	0	115.3	Q72 Q73 I74 G78	Q72-S76 PolarHBondContact O-N 2.79Å; Q73-S76 WeakPolarHBondContact CA-OG 3.49Å; Q73-S76 PolarHBondContact O-N 2.88Å; Q73-S76 PolarHBondContact O-OG 2.74Å; I74-S76 PolarHBondContact O-N 2.69Å; S76-G78 VanDerWaalsContact C-N 3.3Å; S76-G78 PolarHBondContact O-N 2.94Å
77	R	85.5	Confident	83.1	Confident	158 Å²	158	58.7 Å²	58.7	60%	0.596	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-15.2	180	-75.9	170.2	171	-127.4	4.4	113.7	E69 Q73 I74 L75	E69-R77 IonicContact OE1-CZ 3.44Å; E69-R77 IonicContact OE1-NE 2.81Å; E69-R77 PolarHBondContact OE1-NE 3.17Å; E69-R77 IonicContact OE1-NH2 2.94Å; E69-R77 PolarHBondContact OE1-NH2 3.19Å; E69-R77 IonicContact OE2-CZ 3.34Å; E69-R77 IonicContact OE2-NE 3.78Å; E69-R77 IonicContact OE2-NH2 3.71Å; E69-R77 PolarHBondContact OE2-NH2 3.26Å; Q73-R77 PolarHBondContact O-N 2.84Å; I74-R77 PolarHBondContact O-N 2.84Å; L75-R77 VanDerWaalsContact C-N 3.26Å; L75-R77 PolarHBondContact O-N 3.39Å
78	G	78.4	Confident	84.7	Confident	36 Å²	36	57.3 Å²	57.3	37%	0.371	32%	0.318	S	S	.	.			trans	79.6	164.1	-167.3	0	0	0	0	0	112.9	L75 S76 Y81	L75-G78 PolarHBondContact O-N 2.87Å; S76-G78 VanDerWaalsContact C-N 3.3Å; S76-G78 PolarHBondContact O-N 2.94Å; G78-Y81 WeakPolarHBondContact CA-OH 3.41Å; G78-Y81 WeakPolarHBondContact O-CE1 3.27Å
79	G	82.3	Confident	86.2	Confident	53 Å²	53	60.2 Å²	60.2	55%	0.546	33%	0.328	S	S	.	.	S	Bend	trans	-78.6	173.6	-178.1	0	0	0	0	0	114.3
80	P	83.5	Confident	87.1	Confident	108 Å²	108	60.2 Å²	60.2	70%	0.701	34%	0.335	S	S	*	.	S	Bend	cis	-77.5	133.3	5	30.8	-35	0	0	0	112.6
81	Y	89.8	Confident	87.6	Confident	40 Å²	40	59.9 Å²	59.9	16%	0.157	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-82.3	147.2	-176.8	-56.8	-66.9	0	0	0	112.5	I74 L75 G78 T83 F261 S360	I74-Y81 HydrophobicContact CG2-CD1 4.34Å; I74-Y81 WeakPolarHBondContact O-CE1 3.28Å; L75-Y81 HydrophobicContact CD2-CE1 4.26Å; L75-Y81 PolarHBondContact O-OH 2.82Å; G78-Y81 WeakPolarHBondContact CA-OH 3.41Å; G78-Y81 WeakPolarHBondContact O-CE1 3.27Å; Y81-T83 PolarHBondContact O-N 2.78Å; Y81-F261 HydrophobicContact CD2-CE2 4.48Å; Y81-F261 AromaticContact CE2-CE2 3.82Å; Y81-F261 HydrophobicContact CE2-CE2 3.82Å; Y81-F261 HydrophobicContact CE2-CZ 4.23Å; Y81-S360 VanDerWaalsContact CD2-O 3.24Å; Y81-S360 WeakPolarHBondContact CD2-O 3.41Å
82	P	89.6	Confident	88.1	Confident	12 Å²	12	58.9 Å²	58.9	8%	0.078	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-59.7	131.3	165.4	26.9	-35.6	0	0	0	109.9	V65 I74 V84 V85 P362	V65-P82 HydrophobicContact CG2-CG 4.21Å; I74-P82 HydrophobicContact CG2-CG 3.89Å; P82-V84 VanDerWaalsContact C-N 3.34Å; P82-V85 HydrophobicContact CB-CG2 3.78Å; P82-V85 HydrophobicContact CG-CG2 3.32Å; P82-P362 WeakPolarHBondContact O-CA 3.46Å
83	T	92	Very high	88.6	Confident	4 Å²	4	54.7 Å²	54.7	3%	0.025	31%	0.311	C	S	.	.	S	Bend	trans	-68.7	-35.3	177.7	-62.4	0	0	0	0	111.8	Y81 F363 V378 K392 A394	Y81-T83 PolarHBondContact O-N 2.78Å; T83-F363 PolarHBondContact O-N 3.29Å; T83-V378 HydrophobicContact CG2-CB 4.17Å; T83-V378 HydrophobicContact CG2-CG1 3.68Å; T83-K392 WeakPolarHBondContact OG1-CE 3.48Å; T83-K392 PolarHBondContact OG1-NZ 2.92Å; T83-A394 HydrophobicContact CG2-CB 3.94Å
84	V	93.9	Very high	89.1	Confident	10 Å²	10	52.6 Å²	52.6	6%	0.061	30%	0.302	C	S	.	.	S	Bend	trans	-131.7	138.3	172.5	-171.2	0	0	0	0	108.3	P82 I94 F363 V378 A394 A396	P82-V84 VanDerWaalsContact C-N 3.34Å; V84-I94 HydrophobicContact CB-CD1 4.31Å; V84-I94 HydrophobicContact CB-CG2 4.1Å; V84-I94 HydrophobicContact CG1-CD1 3.62Å; V84-I94 HydrophobicContact CG1-CG1 3.99Å; V84-I94 HydrophobicContact CG1-CG2 4.27Å; V84-F363 CarbonylContact C-O 3.58Å; V84-F363 VanDerWaalsContact CA-O 3.28Å; V84-F363 WeakPolarHBondContact CA-O 3.33Å; V84-F363 WeakPolarHBondContact CG1-O 3.36Å; V84-V378 HydrophobicContact CG2-CB 4.21Å; V84-V378 HydrophobicContact CG2-CG2 3.78Å; V84-A394 HydrophobicContact CG2-CB 3.63Å; V84-A396 HydrophobicContact CG1-CB 3.99Å
85	V	93	Very high	89.4	Confident	17 Å²	17	53.7 Å²	53.7	10%	0.103	31%	0.308	C	S	.	.			trans	-116.8	140	175.4	174.1	0	0	0	0	108.7	I74 P82 P362 F363 V364 P365	I74-V85 HydrophobicContact CD1-CB 4.43Å; I74-V85 HydrophobicContact CD1-CG1 3.84Å; I74-V85 HydrophobicContact CD1-CG2 3.78Å; P82-V85 HydrophobicContact CB-CG2 3.78Å; P82-V85 HydrophobicContact CG-CG2 3.32Å; V85-P362 HydrophobicContact CG2-CB 3.99Å; V85-F363 PolarHBondContact N-O 2.83Å; V85-V364 HydrophobicContact CB-CG2 3.67Å; V85-V364 HydrophobicContact CG1-CG2 3.89Å; V85-P365 WeakPolarHBondContact O-CD 3.44Å
86	M	91	Very high	89.5	Confident	68 Å²	68	54.7 Å²	54.7	34%	0.335	32%	0.315	S	S	.	.			trans	-69.8	135.7	176.4	-167.9	63	76.8	0	0	110.1	Y92 I94	M86-Y92 WeakPolarHBondContact CE-O 3.42Å; M86-I94 HydrophobicContact CB-CD1 4.17Å; M86-I94 HydrophobicContact CE-CB 4.5Å; M86-I94 HydrophobicContact CE-CD1 3.75Å; M86-I94 HydrophobicContact CE-CG1 3.94Å; M86-I94 HydrophobicContact SD-CD1 4.02Å; M86-I94 HydrophobicContact SD-CG1 4.44Å
87	P	90.8	Very high	88.5	Confident	9 Å²	9	50.2 Å²	50.2	6%	0.058	28%	0.284	C	S	.	.			trans	-59.4	148.8	169.8	-20	32	0	0	0	111.4	H89 G90 Y92 V364 D366	P87-H89 PolarHBondContact O-N 3.04Å; P87-G90 PolarHBondContact O-N 2.83Å; P87-Y92 HydrophobicContact CG-CD2 3.73Å; P87-Y92 HydrophobicContact CG-CE2 3.96Å; P87-V364 HydrophobicContact CB-CG1 4.07Å; P87-V364 HydrophobicContact CG-CG1 3.81Å; P87-D366 HydrophobicContact CB-CB 4.46Å; P87-D366 WeakPolarHBondContact CB-OD2 3.41Å; P87-D366 HydrophobicContact CG-CB 4.36Å; P87-D366 WeakPolarHBondContact CG-OD2 3.42Å
88	Q	85.8	Confident	86.7	Confident	104 Å²	104	46.8 Å²	46.8	49%	0.486	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.9	-176.8	-60.6	-171.4	-16.4	0	0	113.4	N68 E69	N68-Q88 PolarHBondContact O-NE2 2.76Å; N68-Q88 VanDerWaalsContact O-NE2 3.16Å; E69-Q88 PolarHBondContact O-NE2 3.41Å
89	H	85.5	Confident	84.9	Confident	181 Å²	181	48.3 Å²	48.3	84%	0.838	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	4.4	176.9	-54.7	-41.2	0	0	0	113.7	P87	P87-H89 PolarHBondContact O-N 3.04Å
90	G	89.8	Confident	82.5	Confident	27 Å²	27	50.6 Å²	50.6	28%	0.278	30%	0.302	S	S	.	.			trans	71.3	-134.8	-175.3	0	0	0	0	0	112.1	P87 Y92	P87-G90 PolarHBondContact O-N 2.83Å; G90-Y92 VanDerWaalsContact C-N 3.35Å; G90-Y92 WeakPolarHBondContact O-CD2 3.24Å; G90-Y92 PolarHBondContact O-N 3.44Å
91	G	92.5	Very high	80.1	Confident	33 Å²	33	53.4 Å²	53.4	34%	0.34	31%	0.305	S	S	.	.			trans	87	-3.7	175.7	0	0	0	0	0	115.4	R398 D399	G91-R398 CarbonylContact O-C 3.51Å; G91-R398 VanDerWaalsContact O-CA 3.26Å; G91-R398 WeakPolarHBondContact O-CA 3.32Å; G91-D399 VanDerWaalsContact C-CG 3.41Å; G91-D399 WeakPolarHBondContact CA-OD2 3.41Å; G91-D399 PolarHBondContact N-OD2 3.13Å; G91-D399 PolarHBondContact O-N 2.96Å
92	Y	95.6	Very high	77.2	Confident	10 Å²	10	58.2 Å²	58.2	4%	0.039	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	151.9	-178.7	-61.2	-103.1	0	0	0	111.7	M86 P87 G90 P365 D366 Y376 A397 R398 D399	M86-Y92 WeakPolarHBondContact CE-O 3.42Å; P87-Y92 HydrophobicContact CG-CD2 3.73Å; P87-Y92 HydrophobicContact CG-CE2 3.96Å; G90-Y92 VanDerWaalsContact C-N 3.35Å; G90-Y92 WeakPolarHBondContact O-CD2 3.24Å; G90-Y92 PolarHBondContact O-N 3.44Å; Y92-P365 HydrophobicContact CD1-CB 3.72Å; Y92-P365 HydrophobicContact CD1-CG 4.02Å; Y92-P365 HydrophobicContact CD2-CB 4.22Å; Y92-P365 HydrophobicContact CE1-CB 3.46Å; Y92-P365 VanDerWaalsContact CE1-CB 3.46Å; Y92-P365 HydrophobicContact CE1-CG 4.28Å; Y92-P365 HydrophobicContact CE2-CB 3.99Å; Y92-P365 HydrophobicContact CG-CB 4.12Å; Y92-P365 HydrophobicContact CG-CG 4.19Å; Y92-D366 WeakPolarHBondContact CE2-OD1 3.5Å; Y92-D366 WeakPolarHBondContact CE2-OD2 3.42Å; Y92-D366 VanDerWaalsContact CZ-OD1 3.24Å; Y92-D366 PolarHBondContact OH-OD1 3.34Å; Y92-Y376 HydrophobicContact CE1-CE2 4.48Å; Y92-A397 CarbonylContact C-O 3.59Å; Y92-A397 WeakPolarHBondContact CA-O 3.34Å; Y92-A397 WeakPolarHBondContact CB-O 3.48Å; Y92-A397 VanDerWaalsContact CD1-C 3.5Å; Y92-R398 HydrophobicContact CD1-CB 4.46Å; Y92-R398 HydrophobicContact CD1-CG 3.8Å; Y92-R398 HydrophobicContact CE1-CB 4.45Å; Y92-R398 HydrophobicContact CE1-CG 3.37Å; Y92-R398 HydrophobicContact CE2-CG 4.45Å; Y92-R398 HydrophobicContact CG-CG 4.48Å; Y92-R398 PolarHBondContact OH-NE 2.95Å; Y92-R398 PolarHBondContact OH-NH2 2.83Å; Y92-D399 PolarHBondContact N-OD2 3.26Å
93	W	95.6	Very high	74.4	Confident	49 Å²	49	62.4 Å²	62.4	19%	0.186	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	152.8	157.6	59.2	-93.8	0	0	0	110.7	D95 V395 A396 A397 R398 V401 F403 F404	W93-D95 HydrophobicContact CE3-CB 4.42Å; W93-D95 HydrophobicContact CZ3-CB 4.03Å; W93-V395 HydrophobicContact CH2-CG1 4.06Å; W93-V395 HydrophobicContact CZ3-CG1 3.96Å; W93-A396 WeakPolarHBondContact O-CA 3.16Å; W93-A397 HydrophobicContact CD2-CB 4.44Å; W93-A397 HydrophobicContact CH2-CB 4.27Å; W93-A397 HydrophobicContact CZ2-CB 3.7Å; W93-A397 PolarHBondContact N-O 2.98Å; W93-A397 PolarHBondContact O-N 2.81Å; W93-R398 PolarHBondContact NE1-O 3.29Å; W93-V401 PolarHBondContact NE1-O 2.69Å; W93-F403 HydrophobicContact CH2-CD2 4.03Å; W93-F403 HydrophobicContact CZ3-CD2 4.09Å; W93-F403 HydrophobicContact CZ3-CE2 4.5Å; W93-F404 AromaticContact CH2-CD1 3.96Å; W93-F404 HydrophobicContact CH2-CD1 3.96Å; W93-F404 AromaticContact CH2-CE1 3.5Å; W93-F404 HydrophobicContact CH2-CE1 3.5Å; W93-F404 VanDerWaalsContact CH2-CE1 3.5Å; W93-F404 AromaticContact CH2-CZ 3.92Å; W93-F404 HydrophobicContact CH2-CZ 3.92Å; W93-F404 AromaticContact CZ2-CD1 3.9Å; W93-F404 HydrophobicContact CZ2-CD1 3.9Å; W93-F404 AromaticContact CZ2-CE1 3.54Å; W93-F404 HydrophobicContact CZ2-CE1 3.54Å; W93-F404 HydrophobicContact CZ2-CZ 4.37Å
94	I	94.9	Very high	71.9	Confident	49 Å²	49	68.7 Å²	68.7	25%	0.251	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	130.2	-179	-65.3	172.1	0	0	0	108.7	V84 M86 T96 V395 A396	V84-I94 HydrophobicContact CB-CD1 4.31Å; V84-I94 HydrophobicContact CB-CG2 4.1Å; V84-I94 HydrophobicContact CG1-CD1 3.62Å; V84-I94 HydrophobicContact CG1-CG1 3.99Å; V84-I94 HydrophobicContact CG1-CG2 4.27Å; M86-I94 HydrophobicContact CB-CD1 4.17Å; M86-I94 HydrophobicContact CE-CB 4.5Å; M86-I94 HydrophobicContact CE-CD1 3.75Å; M86-I94 HydrophobicContact CE-CG1 3.94Å; M86-I94 HydrophobicContact SD-CD1 4.02Å; M86-I94 HydrophobicContact SD-CG1 4.44Å; I94-T96 HydrophobicContact CG2-CG2 3.72Å; I94-V395 CarbonylContact C-O 3.57Å; I94-V395 WeakPolarHBondContact CA-O 3.46Å; I94-A396 HydrophobicContact CG1-CB 4.14Å
95	D	93.5	Very high	68.8	Low	30 Å²	30	75.5 Å²	75.5	16%	0.16	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	114.9	169.6	176.7	15.2	0	0	0	109.1	W93 G97 A394 V395 L408	W93-D95 HydrophobicContact CE3-CB 4.42Å; W93-D95 HydrophobicContact CZ3-CB 4.03Å; D95-G97 PolarHBondContact OD1-N 3.48Å; D95-A394 CarbonylContact O-C 3.59Å; D95-A394 WeakPolarHBondContact O-CA 3.14Å; D95-V395 HydrophobicContact CB-CB 4.35Å; D95-V395 PolarHBondContact N-O 3.12Å; D95-V395 PolarHBondContact O-N 2.86Å; D95-L408 HydrophobicContact CB-CD1 4.45Å; D95-L408 WeakPolarHBondContact O-CD1 3.34Å
96	T	88.2	Confident	65.8	Low	52 Å²	52	82 Å²	82	32%	0.319	46%	0.457	S	S	.	.			trans	-119.4	19.7	179.2	45.6	0	0	0	0	112.1	I94 S98 A394 P412	I94-T96 HydrophobicContact CG2-CG2 3.72Å; T96-S98 PolarHBondContact O-N 3.12Å; T96-A394 HydrophobicContact CG2-CB 3.82Å; T96-P412 WeakPolarHBondContact O-CG 3.49Å
97	G	67.3	Low	63.1	Low	4 Å²	4	86.9 Å²	86.9	4%	0.041	48%	0.479	C	S	.	.			trans	53.9	51.7	176.6	0	0	0	0	0	113.7	D95 A99	D95-G97 PolarHBondContact OD1-N 3.48Å; G97-A99 PolarHBondContact O-N 3.43Å
98	S	48.3	Very low	60.4	Low	87 Å²	87	93.9 Å²	93.9	61%	0.608	51%	0.509	S	S	*	.			trans	-11.4	98.7	-172.1	-60.2	0	0	0	0	116.8	T96 M410	T96-S98 PolarHBondContact O-N 3.12Å; S98-M410 VanDerWaalsContact O-CE 3.3Å; S98-M410 WeakPolarHBondContact O-CE 3.46Å
99	A	41.1	Very low	57.6	Low	68 Å²	68	93.8 Å²	93.8	56%	0.562	52%	0.515	S	S	*	.			trans	-122.3	123.1	169.2	0	0	0	0	0	110.6	G97	G97-A99 PolarHBondContact O-N 3.43Å
100	S	31.6	Very low	54.9	Low	101 Å²	101	90.7 Å²	90.7	71%	0.706	51%	0.514	S	S	*	.			trans	-63.9	156.6	160.9	47.2	0	0	0	0	110.4	L102	S100-L102 PolarHBondContact O-N 3.36Å
101	H	32	Very low	52	Low	166 Å²	166	93.6 Å²	93.6	77%	0.769	53%	0.53	S	S	*	.			trans	-56.7	111.3	171.6	-78.3	-105	0	0	0	110.8
102	L	28.8	Very low	48.9	Very low	142 Å²	142	99.7 Å²	99.7	74%	0.743	56%	0.555	S	S	*	*			trans	-120.4	140	155.6	-69	176.1	0	0	0	107	S100	S100-L102 PolarHBondContact O-N 3.36Å
103	P	31	Very low	45.8	Very low	100 Å²	100	105.6 Å²	105.6	65%	0.649	59%	0.587	S	S	*	*			trans	-57.3	147.3	171.4	-22.6	34	0	0	0	111.1	E105	P103-E105 HydrophobicContact CB-CG 4.26Å; P103-E105 PolarHBondContact O-N 3.05Å
104	I	39.3	Very low	42.8	Very low	136 Å²	136	108 Å²	108	70%	0.697	61%	0.611	S	S	*	*			trans	-83.4	73.5	173.2	-53.7	179.6	0	0	0	108
105	E	29.8	Very low	39.9	Very low	152 Å²	152	110.4 Å²	110.4	71%	0.71	63%	0.633	S	S	*	*			trans	-126.7	122	175.7	-65.2	-173.6	159.8	0	0	109.9	P103 H107	P103-E105 HydrophobicContact CB-CG 4.26Å; P103-E105 PolarHBondContact O-N 3.05Å; E105-H107 PolarHBondContact O-N 2.97Å
106	D	29.8	Very low	37	Very low	153 Å²	153	112.9 Å²	112.9	82%	0.818	65%	0.652	S	S	*	*	S	Bend	trans	50.6	14.9	159.4	-68.3	4.3	0	0	0	122.6	F108	D106-F108 PolarHBondContact O-N 2.92Å
107	H	32.9	Very low	34.7	Very low	171 Å²	171	117.1 Å²	117.1	79%	0.792	67%	0.668	S	S	*	*			trans	-95.6	52.8	166.4	-77.3	-51.9	0	0	0	115.2	E105 T109	E105-H107 PolarHBondContact O-N 2.97Å; H107-T109 VanDerWaalsContact C-N 3.28Å
108	F	34.5	Very low	33.7	Very low	157 Å²	157	126.5 Å²	126.5	69%	0.689	70%	0.702	S	S	*	*			trans	-92.1	32.4	162.2	-78.3	-74.5	0	0	0	112.8	D106 H390	D106-F108 PolarHBondContact O-N 2.92Å; F108-H390 AromaticContact CE1-NE2 3.62Å
109	T	27.9	Very low	34.3	Very low	102 Å²	102	125.4 Å²	125.4	63%	0.626	69%	0.688	S	S	*	*			trans	-79.8	120	174.4	48.3	0	0	0	0	110.8	H107 S111	H107-T109 VanDerWaalsContact C-N 3.28Å; T109-S111 PolarHBondContact O-N 2.98Å
110	S	27.6	Very low	35.7	Very low	115 Å²	115	128.2 Å²	128.2	80%	0.804	69%	0.688	S	S	*	*			trans	-32.9	114.9	176.4	51.5	0	0	0	0	114.6
111	S	29.8	Very low	37.8	Very low	89 Å²	89	124.6 Å²	124.6	62%	0.622	66%	0.659	S	S	*	*			trans	-124.7	100.9	168.9	-171.9	0	0	0	0	108.6	T109 N113	T109-S111 PolarHBondContact O-N 2.98Å; S111-N113 PolarHBondContact O-N 3.27Å; S111-N113 PolarHBondContact OG-ND2 2.78Å
112	D	27.9	Very low	39.8	Very low	161 Å²	161	120 Å²	120	86%	0.861	64%	0.638	S	S	*	*			trans	-73.1	44.1	175.9	-73	-52.5	0	0	0	112.2	S114	D112-S114 PolarHBondContact O-N 2.95Å
113	N	30.9	Very low	41.8	Very low	133 Å²	133	114.6 Å²	114.6	71%	0.711	61%	0.613	S	S	*	*			trans	-75	63.8	166.4	-88	-30.5	0	0	0	109.7	S111 S115	S111-N113 PolarHBondContact O-N 3.27Å; S111-N113 PolarHBondContact OG-ND2 2.78Å; N113-S115 PolarHBondContact O-N 3.21Å
114	S	31.9	Very low	43.7	Very low	99 Å²	99	113.9 Å²	113.9	69%	0.692	60%	0.603	S	S	*	*			trans	-69.9	68.1	161.3	-163.9	0	0	0	0	108.7	D112 C116	D112-S114 PolarHBondContact O-N 2.95Å; S114-C116 PolarHBondContact O-N 2.79Å
115	S	33.4	Very low	45.5	Very low	101 Å²	101	110.5 Å²	110.5	71%	0.706	59%	0.585	S	S	*	*			trans	-73	60.7	171	62.4	0	0	0	0	109.3	N113 Q117	N113-S115 PolarHBondContact O-N 3.21Å; S115-Q117 PolarHBondContact O-N 2.77Å
116	C	33.9	Very low	48.1	Very low	82 Å²	82	106 Å²	106	55%	0.554	56%	0.564	S	S	*	*			trans	-70.8	68.1	172.1	-168.5	0	0	0	0	109.2	S114 R118	S114-C116 PolarHBondContact O-N 2.79Å; C116-R118 VanDerWaalsContact C-N 3.26Å; C116-R118 PolarHBondContact O-N 3.27Å
117	Q	39.5	Very low	50.9	Low	141 Å²	141	98.9 Å²	98.9	66%	0.659	53%	0.527	S	S	*	.			trans	-49.2	105.3	143.1	-69.6	-171.9	4.5	0	0	105.1	S115 I119	S115-Q117 PolarHBondContact O-N 2.77Å; Q117-I119 PolarHBondContact O-N 3.08Å
118	R	45.8	Very low	53.6	Low	200 Å²	200	93.7 Å²	93.7	76%	0.755	50%	0.502	S	S	*	.			trans	-43.9	119.9	-168.3	-83.2	-177.5	168.8	127.9	-4.8	109.3	C116 K120	C116-R118 VanDerWaalsContact C-N 3.26Å; C116-R118 PolarHBondContact O-N 3.27Å; R118-K120 WeakPolarHBondContact O-CB 3.45Å; R118-K120 PolarHBondContact O-N 2.91Å
119	I	60.3	Low	56.3	Low	64 Å²	64	86.3 Å²	86.3	33%	0.328	47%	0.471	S	S	.	.			trans	-68.1	77	-174	-56.4	-179.9	0	0	0	109.4	Q117 K319 T426	Q117-I119 PolarHBondContact O-N 3.08Å; I119-K319 PolarHBondContact O-NZ 2.93Å; I119-T426 HydrophobicContact CG2-CG2 3.65Å; I119-T426 WeakPolarHBondContact CG2-OG1 3.42Å
120	K	70.7	Confident	59.6	Low	127 Å²	127	81.5 Å²	81.5	55%	0.552	44%	0.441	S	S	*	.			trans	-101	142.8	-171.6	-165.7	-164.5	173.7	-169.7	0	109.3	R118 E125 N430	R118-K120 WeakPolarHBondContact O-CB 3.45Å; R118-K120 PolarHBondContact O-N 2.91Å; K120-E125 VanDerWaalsContact CE-OE1 3.31Å; K120-E125 WeakPolarHBondContact CE-OE1 3.37Å; K120-E125 IonicContact NZ-OE1 2.68Å; K120-E125 PolarHBondContact NZ-OE1 2.86Å; K120-N430 PolarHBondContact O-ND2 2.95Å
121	F	76.4	Confident	62.8	Low	25 Å²	25	82.1 Å²	82.1	11%	0.11	43%	0.425	C	S	.	.			trans	-73.2	134.1	168.4	-59.5	-57.6	0	0	0	111.2	S123 F318 K319 R321 T426 I429 N430	F121-S123 PolarHBondContact O-N 2.62Å; F121-F318 HydrophobicContact CE1-CD1 4.24Å; F121-F318 AromaticContact CE1-CE1 3.91Å; F121-F318 HydrophobicContact CE1-CE1 3.91Å; F121-F318 AromaticContact CZ-CD1 3.86Å; F121-F318 HydrophobicContact CZ-CD1 3.86Å; F121-F318 AromaticContact CZ-CE1 3.77Å; F121-F318 HydrophobicContact CZ-CE1 3.77Å; F121-K319 HydrophobicContact CE2-CB 3.66Å; F121-K319 HydrophobicContact CE2-CD 3.62Å; F121-K319 HydrophobicContact CE2-CG 4.31Å; F121-K319 HydrophobicContact CZ-CB 3.87Å; F121-K319 HydrophobicContact CZ-CD 3.57Å; F121-K319 HydrophobicContact CZ-CG 4.29Å; F121-R321 VanDerWaalsContact CE2-NE 3.3Å; F121-T426 HydrophobicContact CD1-CG2 4Å; F121-T426 HydrophobicContact CE1-CG2 4.14Å; F121-I429 HydrophobicContact CD1-CB 4.11Å; F121-I429 HydrophobicContact CD1-CD1 4.38Å; F121-I429 HydrophobicContact CD1-CG2 3.51Å; F121-I429 HydrophobicContact CE1-CB 4.04Å; F121-I429 HydrophobicContact CE1-CD1 3.54Å; F121-I429 HydrophobicContact CE1-CG1 4.39Å; F121-I429 HydrophobicContact CE1-CG2 3.81Å; F121-I429 HydrophobicContact CG-CG2 4.3Å; F121-I429 HydrophobicContact CZ-CD1 3.97Å; F121-N430 VanDerWaalsContact CA-OD1 3.31Å; F121-N430 WeakPolarHBondContact CA-OD1 3.44Å
122	E	74.4	Confident	65.8	Low	70 Å²	70	83 Å²	83	33%	0.327	42%	0.415	S	S	.	.			trans	-83.2	57.4	172.5	-68.5	179.1	-146.2	0	0	110.9	G405 N430 N433	E122-G405 WeakPolarHBondContact OE1-CA 3.48Å; E122-G405 PolarHBondContact OE1-N 2.87Å; E122-N430 PolarHBondContact N-OD1 2.78Å; E122-N433 WeakPolarHBondContact O-CB 3.15Å; E122-N433 PolarHBondContact O-ND2 2.96Å
123	S	69.4	Low	69	Low	29 Å²	29	77.7 Å²	77.7	20%	0.203	39%	0.385	C	S	.	.			trans	-85.9	153.7	174.4	59.3	0	0	0	0	111.8	F121 E125	F121-S123 PolarHBondContact O-N 2.62Å; S123-E125 PolarHBondContact O-N 3.22Å; S123-E125 VanDerWaalsContact O-N 3.14Å
124	D	71	Confident	72.1	Confident	84 Å²	84	71.3 Å²	71.3	45%	0.449	35%	0.351	S	S	.	.			trans	-61.8	114.3	168.6	-178.3	14.7	0	0	0	111.2	I126 A127	D124-I126 VanDerWaalsContact C-N 3.33Å; D124-I126 VanDerWaalsContact OD1-CB 3.25Å; D124-I126 WeakPolarHBondContact OD1-CB 3.41Å; D124-I126 WeakPolarHBondContact OD1-CG1 3.4Å; D124-I126 PolarHBondContact OD1-N 2.83Å; D124-A127 HydrophobicContact CB-CB 4.5Å; D124-A127 PolarHBondContact OD2-N 3.27Å
125	E	76.9	Confident	75	Confident	66 Å²	66	70 Å²	70	31%	0.308	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-19.1	177.7	-67.3	-75.6	-164	0	0	112.5	K120 S123 K128 C129 R132	K120-E125 VanDerWaalsContact CE-OE1 3.31Å; K120-E125 WeakPolarHBondContact CE-OE1 3.37Å; K120-E125 IonicContact NZ-OE1 2.68Å; K120-E125 PolarHBondContact NZ-OE1 2.86Å; S123-E125 PolarHBondContact O-N 3.22Å; S123-E125 VanDerWaalsContact O-N 3.14Å; E125-K128 PolarHBondContact O-N 2.76Å; E125-C129 PolarHBondContact O-N 3.35Å; E125-R132 PolarHBondContact O-NH1 3.3Å; E125-R132 IonicContact OE2-CZ 3.81Å; E125-R132 IonicContact OE2-NH1 2.76Å; E125-R132 PolarHBondContact OE2-NH1 3.23Å; E125-R132 IonicContact OE2-NH2 2.92Å; E125-R132 PolarHBondContact OE2-NH2 3.3Å
126	I	85.4	Confident	77.9	Confident	56 Å²	56	68.9 Å²	68.9	29%	0.287	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-41.6	-179.5	-55.7	176.9	0	0	0	110	D124 K128 C129 M170 T177 H179	D124-I126 VanDerWaalsContact C-N 3.33Å; D124-I126 VanDerWaalsContact OD1-CB 3.25Å; D124-I126 WeakPolarHBondContact OD1-CB 3.41Å; D124-I126 WeakPolarHBondContact OD1-CG1 3.4Å; D124-I126 PolarHBondContact OD1-N 2.83Å; I126-K128 PolarHBondContact O-N 2.86Å; I126-K128 VanDerWaalsContact O-N 3.16Å; I126-C129 WeakPolarHBondContact O-CB 3.49Å; I126-C129 PolarHBondContact O-N 3.29Å; I126-M170 HydrophobicContact CG2-SD 4.12Å; I126-T177 HydrophobicContact CG2-CG2 3.59Å; I126-H179 HydrophobicContact CG2-CB 3.93Å
127	A	87.4	Confident	80.7	Confident	5 Å²	5	69.7 Å²	69.7	4%	0.041	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-36.9	173.5	0	0	0	0	0	113.2	D124 D244 L248	D124-A127 HydrophobicContact CB-CB 4.5Å; D124-A127 PolarHBondContact OD2-N 3.27Å; A127-D244 WeakPolarHBondContact CB-O 3.46Å; A127-L248 HydrophobicContact CB-CD2 3.77Å; A127-L248 HydrophobicContact CB-CG 4.1Å
128	K	90.4	Very high	83.3	Confident	61 Å²	61	70.2 Å²	70.2	27%	0.265	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-7	176.5	-69.4	-178.1	178.4	-176.2	0	114.2	E125 I126 Y130 R132 L248	E125-K128 PolarHBondContact O-N 2.76Å; I126-K128 PolarHBondContact O-N 2.86Å; I126-K128 VanDerWaalsContact O-N 3.16Å; K128-Y130 PolarHBondContact O-N 3.27Å; K128-R132 WeakPolarHBondContact O-CD 3.44Å; K128-R132 VanDerWaalsContact O-CG 3.29Å; K128-R132 WeakPolarHBondContact O-CG 3.38Å; K128-R132 PolarHBondContact O-N 3.37Å; K128-L248 HydrophobicContact CD-CD1 4.32Å; K128-L248 HydrophobicContact CD-CD2 4.48Å; K128-L248 HydrophobicContact CG-CD1 3.61Å; K128-L248 HydrophobicContact CG-CD2 4.07Å; K128-L248 HydrophobicContact CG-CG 4.5Å
129	C	92.4	Very high	85.7	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.02	31%	0.311	C	S	.	.	H	α-helix	trans	-64.3	-39.6	-173.9	-174.3	0	0	0	0	112.3	E125 I126 R132 H133 M170 H179	E125-C129 PolarHBondContact O-N 3.35Å; I126-C129 WeakPolarHBondContact O-CB 3.49Å; I126-C129 PolarHBondContact O-N 3.29Å; C129-R132 PolarHBondContact O-N 2.86Å; C129-H133 PolarHBondContact O-N 3.48Å; C129-H133 PolarHBondContact O-ND1 3.21Å; C129-H133 VanDerWaalsContact O-ND1 3.07Å; C129-H133 PolarHBondContact SG-ND1 3.04Å; C129-M170 HydrophobicContact CB-CE 4.38Å; C129-M170 HydrophobicContact CB-SD 3.74Å; C129-H179 PolarHBondContact SG-CD2 2.86Å; C129-H179 PolarHBondContact SG-CE1 2.89Å; C129-H179 PolarHBondContact SG-NE2 2.88Å
130	Y	95.7	Very high	87.3	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-62.3	-47.9	-179.3	-164.3	-106.5	0	0	0	112.6	K128 R132 H133 F134 F135 H139 N141 S155 M170 S237 I240 M241 D244	K128-Y130 PolarHBondContact O-N 3.27Å; Y130-R132 VanDerWaalsContact C-N 3.28Å; Y130-R132 PolarHBondContact O-N 3.46Å; Y130-H133 PolarHBondContact O-N 3.42Å; Y130-F134 HydrophobicContact CD2-CB 3.5Å; Y130-F134 VanDerWaalsContact CD2-CB 3.5Å; Y130-F134 HydrophobicContact CD2-CD1 4.33Å; Y130-F134 AromaticContact CD2-CD2 3.81Å; Y130-F134 HydrophobicContact CD2-CD2 3.81Å; Y130-F134 AromaticContact CD2-CG 3.64Å; Y130-F134 HydrophobicContact CD2-CG 3.64Å; Y130-F134 HydrophobicContact CE2-CB 3.45Å; Y130-F134 VanDerWaalsContact CE2-CB 3.45Å; Y130-F134 HydrophobicContact CE2-CD1 4.18Å; Y130-F134 HydrophobicContact CE2-CD2 4.43Å; Y130-F134 AromaticContact CE2-CG 3.81Å; Y130-F134 HydrophobicContact CE2-CG 3.81Å; Y130-F134 HydrophobicContact CG-CB 4.16Å; Y130-F134 PolarHBondContact O-N 2.87Å; Y130-F135 HydrophobicContact CD1-CB 4.45Å; Y130-F135 HydrophobicContact CE1-CD2 4.42Å; Y130-F135 PolarHBondContact O-N 3.33Å; Y130-H139 AromaticContact CZ-NE2 3.78Å; Y130-H139 PolarHBondContact OH-CD2 3.46Å; Y130-H139 PolarHBondContact OH-NE2 2.82Å; Y130-N141 PolarHBondContact OH-ND2 3.36Å; Y130-N141 PolarHBondContact OH-OD1 3.11Å; Y130-S155 VanDerWaalsContact CE2-OG 3.24Å; Y130-S155 WeakPolarHBondContact CE2-OG 3.31Å; Y130-M170 HydrophobicContact CD2-CE 4.4Å; Y130-S237 WeakPolarHBondContact CE1-O 3.23Å; Y130-S237 WeakPolarHBondContact OH-CB 3.44Å; Y130-S237 PolarHBondContact OH-OG 3.16Å; Y130-I240 HydrophobicContact CD1-CG2 4.31Å; Y130-I240 HydrophobicContact CD2-CG2 4.23Å; Y130-I240 HydrophobicContact CE1-CB 4.2Å; Y130-I240 HydrophobicContact CE1-CG2 3.92Å; Y130-I240 HydrophobicContact CE2-CG2 3.84Å; Y130-I240 HydrophobicContact CG-CG2 4.42Å; Y130-M241 HydrophobicContact CD1-CB 3.67Å; Y130-M241 HydrophobicContact CD1-CG 4.18Å; Y130-M241 HydrophobicContact CE1-CB 3.99Å; Y130-D244 WeakPolarHBondContact CB-OD2 2.9Å
131	R	94.9	Very high	88.6	Confident	128 Å²	128	60.6 Å²	60.6	48%	0.483	30%	0.301	S	S	.	.	H	α-helix	trans	-60.2	-35	177	-177.3	-180	-69.6	-87.9	2.9	113	M241 E245	R131-M241 HydrophobicContact CB-CG 4.47Å; R131-M241 HydrophobicContact CB-SD 3.95Å; R131-M241 HydrophobicContact CG-SD 4.04Å; R131-M241 VanDerWaalsContact CZ-SD 3.55Å; R131-E245 WeakPolarHBondContact CD-OE1 3.46Å; R131-E245 IonicContact CZ-OE1 3.42Å; R131-E245 IonicContact CZ-OE2 3.54Å; R131-E245 IonicContact NE-OE1 2.77Å; R131-E245 PolarHBondContact NE-OE1 3.16Å; R131-E245 IonicContact NE-OE2 2.71Å; R131-E245 PolarHBondContact NE-OE2 3.02Å; R131-E245 IonicContact NH2-OE1 3.22Å; R131-E245 IonicContact NH2-OE2 2.68Å; R131-E245 PolarHBondContact NH2-OE2 2.91Å
132	R	93.6	Very high	89.5	Confident	109 Å²	109	61 Å²	61	41%	0.411	30%	0.303	S	S	.	.	H	α-helix	trans	-77.9	-40.9	-178.8	-68.8	165.2	176.6	157	-9.2	113.4	E125 K128 C129 Y130 K137	E125-R132 PolarHBondContact O-NH1 3.3Å; E125-R132 IonicContact OE2-CZ 3.81Å; E125-R132 IonicContact OE2-NH1 2.76Å; E125-R132 PolarHBondContact OE2-NH1 3.23Å; E125-R132 IonicContact OE2-NH2 2.92Å; E125-R132 PolarHBondContact OE2-NH2 3.3Å; K128-R132 WeakPolarHBondContact O-CD 3.44Å; K128-R132 VanDerWaalsContact O-CG 3.29Å; K128-R132 WeakPolarHBondContact O-CG 3.38Å; K128-R132 PolarHBondContact O-N 3.37Å; C129-R132 PolarHBondContact O-N 2.86Å; Y130-R132 VanDerWaalsContact C-N 3.28Å; Y130-R132 PolarHBondContact O-N 3.46Å; R132-K137 PolarHBondContact O-NZ 3.35Å
133	H	94	Very high	90.6	Very high	48 Å²	48	57.7 Å²	57.7	22%	0.222	29%	0.287	C	S	.	.	H	α-helix	trans	-117.3	-16.6	-163.7	-49.2	109.9	0	0	0	115.2	C129 Y130 K137 H157	C129-H133 PolarHBondContact O-N 3.48Å; C129-H133 PolarHBondContact O-ND1 3.21Å; C129-H133 VanDerWaalsContact O-ND1 3.07Å; C129-H133 PolarHBondContact SG-ND1 3.04Å; Y130-H133 PolarHBondContact O-N 3.42Å; H133-K137 VanDerWaalsContact O-CD 3.32Å; H133-K137 WeakPolarHBondContact O-CD 3.4Å; H133-H157 PolarHBondContact O-CD2 3.33Å; H133-H157 VanDerWaalsContact O-CD2 3.26Å
134	F	95.6	Very high	91.8	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-48.3	-176.5	-60.9	-103.6	0	0	0	111.8	Y130 G136 K137 H139 H157 R168 M170	Y130-F134 HydrophobicContact CD2-CB 3.5Å; Y130-F134 VanDerWaalsContact CD2-CB 3.5Å; Y130-F134 HydrophobicContact CD2-CD1 4.33Å; Y130-F134 AromaticContact CD2-CD2 3.81Å; Y130-F134 HydrophobicContact CD2-CD2 3.81Å; Y130-F134 AromaticContact CD2-CG 3.64Å; Y130-F134 HydrophobicContact CD2-CG 3.64Å; Y130-F134 HydrophobicContact CE2-CB 3.45Å; Y130-F134 VanDerWaalsContact CE2-CB 3.45Å; Y130-F134 HydrophobicContact CE2-CD1 4.18Å; Y130-F134 HydrophobicContact CE2-CD2 4.43Å; Y130-F134 AromaticContact CE2-CG 3.81Å; Y130-F134 HydrophobicContact CE2-CG 3.81Å; Y130-F134 HydrophobicContact CG-CB 4.16Å; Y130-F134 PolarHBondContact O-N 2.87Å; F134-G136 PolarHBondContact O-N 3.22Å; F134-K137 PolarHBondContact O-N 2.84Å; F134-K137 VanDerWaalsContact O-N 3.07Å; F134-H139 HydrophobicContact CB-CB 4.38Å; F134-H139 HydrophobicContact CD1-CB 3.97Å; F134-H139 PolarHBondContact O-CE1 3.49Å; F134-H139 VanDerWaalsContact O-CE1 3.26Å; F134-H139 PolarHBondContact O-ND1 3.27Å; F134-H157 HydrophobicContact CD1-CB 3.76Å; F134-H157 HydrophobicContact CE1-CB 3.76Å; F134-H157 HydrophobicContact CG-CB 4.47Å; F134-R168 HydrophobicContact CE2-CG 4Å; F134-R168 HydrophobicContact CZ-CB 4.37Å; F134-R168 HydrophobicContact CZ-CG 3.77Å; F134-M170 HydrophobicContact CE2-CB 4.19Å; F134-M170 HydrophobicContact CZ-CB 3.88Å
135	F	94.2	Very high	92.9	Very high	72 Å²	72	56.8 Å²	56.8	32%	0.316	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	127.6	-177.1	-165.7	-95.2	0	0	0	111.5	Y130 K137 E238 M241	Y130-F135 HydrophobicContact CD1-CB 4.45Å; Y130-F135 HydrophobicContact CE1-CD2 4.42Å; Y130-F135 PolarHBondContact O-N 3.33Å; F135-K137 VanDerWaalsContact C-N 3.32Å; F135-E238 HydrophobicContact CE2-CG 4.03Å; F135-E238 HydrophobicContact CZ-CG 4.28Å; F135-M241 HydrophobicContact CB-SD 4.06Å; F135-M241 HydrophobicContact CD1-CE 4.22Å; F135-M241 HydrophobicContact CD1-SD 4.02Å; F135-M241 HydrophobicContact CD2-CB 4.42Å; F135-M241 HydrophobicContact CD2-CE 3.82Å; F135-M241 HydrophobicContact CD2-SD 3.76Å; F135-M241 HydrophobicContact CE1-CE 4.03Å; F135-M241 HydrophobicContact CE1-SD 4.44Å; F135-M241 HydrophobicContact CE2-CE 3.63Å; F135-M241 HydrophobicContact CE2-SD 4.21Å; F135-M241 HydrophobicContact CG-CE 4.12Å; F135-M241 HydrophobicContact CG-SD 3.66Å; F135-M241 HydrophobicContact CZ-CE 3.74Å
136	G	93.1	Very high	93.7	Very high	77 Å²	77	53.7 Å²	53.7	79%	0.794	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	11.2	-176	0	0	0	0	0	115.5	F134	F134-G136 PolarHBondContact O-N 3.22Å
137	K	94.4	Very high	94	Very high	98 Å²	98	58 Å²	58	43%	0.426	29%	0.29	S	S	.	.	S	Bend	trans	-125.3	167.3	175.9	-68	166.7	173.3	174.2	0	110.4	R132 H133 F134 F135 H139	R132-K137 PolarHBondContact O-NZ 3.35Å; H133-K137 VanDerWaalsContact O-CD 3.32Å; H133-K137 WeakPolarHBondContact O-CD 3.4Å; F134-K137 PolarHBondContact O-N 2.84Å; F134-K137 VanDerWaalsContact O-N 3.07Å; F135-K137 VanDerWaalsContact C-N 3.32Å; K137-H139 PolarHBondContact O-N 2.87Å; K137-H139 PolarHBondContact O-ND1 3.17Å
138	D	93.5	Very high	94	Very high	152 Å²	152	65.1 Å²	65.1	81%	0.813	32%	0.32	S	S	*	.	S	Bend	trans	-71.1	112.5	174.9	-62.3	-48.1	0	0	0	110.9	H157	D138-H157 PolarHBondContact O-ND1 3.36Å
139	H	95.3	Very high	94	Very high	38 Å²	38	63.8 Å²	63.8	18%	0.176	32%	0.315	C	S	.	.			trans	-149.8	152.6	-178.9	65.3	-68.3	0	0	0	110.9	Y130 F134 K137 N141 I156 H157 S237	Y130-H139 AromaticContact CZ-NE2 3.78Å; Y130-H139 PolarHBondContact OH-CD2 3.46Å; Y130-H139 PolarHBondContact OH-NE2 2.82Å; F134-H139 HydrophobicContact CB-CB 4.38Å; F134-H139 HydrophobicContact CD1-CB 3.97Å; F134-H139 PolarHBondContact O-CE1 3.49Å; F134-H139 VanDerWaalsContact O-CE1 3.26Å; F134-H139 PolarHBondContact O-ND1 3.27Å; K137-H139 PolarHBondContact O-N 2.87Å; K137-H139 PolarHBondContact O-ND1 3.17Å; H139-N141 PolarHBondContact CD2-ND2 3.04Å; H139-N141 PolarHBondContact NE2-ND2 3.14Å; H139-I156 CarbonylContact C-O 3.54Å; H139-I156 WeakPolarHBondContact CA-O 3.5Å; H139-I156 WeakPolarHBondContact CB-O 3.46Å; H139-H157 HydrophobicContact CB-CB 4.21Å; H139-S237 PolarHBondContact CE1-OG 3.1Å; H139-S237 PolarHBondContact NE2-OG 2.96Å
140	F	94.7	Very high	94.1	Very high	140 Å²	140	64.3 Å²	64.3	61%	0.614	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.1	141.9	174.4	-61.4	-79	0	0	0	110.5	F142 S155 I156	F140-F142 HydrophobicContact CB-CD2 4.5Å; F140-F142 HydrophobicContact CB-CE2 3.63Å; F140-F142 HydrophobicContact CB-CZ 4.05Å; F140-S155 CarbonylContact O-C 3.52Å; F140-S155 WeakPolarHBondContact O-CA 3.48Å; F140-I156 PolarHBondContact N-O 2.74Å; F140-I156 PolarHBondContact O-N 3.43Å
141	N	97	Very high	94.1	Very high	11 Å²	11	64.6 Å²	64.6	6%	0.059	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.2	175.6	-69.4	-54.2	0	0	0	109.4	Y130 H139 L154 S155 P230 V231 S237 I240	Y130-N141 PolarHBondContact OH-ND2 3.36Å; Y130-N141 PolarHBondContact OH-OD1 3.11Å; H139-N141 PolarHBondContact CD2-ND2 3.04Å; H139-N141 PolarHBondContact NE2-ND2 3.14Å; N141-L154 CarbonylContact C-O 3.54Å; N141-L154 WeakPolarHBondContact CA-O 3.21Å; N141-S155 VanDerWaalsContact OD1-CB 3.27Å; N141-S155 WeakPolarHBondContact OD1-CB 3.34Å; N141-S155 PolarHBondContact OD1-OG 2.95Å; N141-P230 CarbonylContact O-C 3.48Å; N141-P230 WeakPolarHBondContact O-CA 3.44Å; N141-V231 HydrophobicContact CB-CB 3.87Å; N141-V231 HydrophobicContact CB-CG2 3.89Å; N141-V231 PolarHBondContact O-N 3.38Å; N141-S237 PolarHBondContact ND2-OG 2.69Å; N141-I240 HydrophobicContact CB-CD1 3.87Å
142	F	96.3	Very high	94.1	Very high	33 Å²	33	58.5 Å²	58.5	15%	0.145	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.3	177.4	-54.6	-96.2	0	0	0	110.6	F140 V153 L154 I156 A193 F228 T229 P230	F140-F142 HydrophobicContact CB-CD2 4.5Å; F140-F142 HydrophobicContact CB-CE2 3.63Å; F140-F142 HydrophobicContact CB-CZ 4.05Å; F142-V153 WeakPolarHBondContact O-CA 3.42Å; F142-L154 HydrophobicContact CB-CB 4.33Å; F142-L154 HydrophobicContact CB-CD2 4.47Å; F142-L154 HydrophobicContact CD2-CD2 4.1Å; F142-L154 PolarHBondContact N-O 3.02Å; F142-L154 PolarHBondContact O-N 2.91Å; F142-I156 HydrophobicContact CD2-CD1 4.22Å; F142-I156 HydrophobicContact CE2-CD1 3.87Å; F142-I156 HydrophobicContact CE2-CG1 4.41Å; F142-A193 HydrophobicContact CD1-CB 3.85Å; F142-A193 HydrophobicContact CD2-CB 4.02Å; F142-A193 HydrophobicContact CE1-CB 3.88Å; F142-A193 HydrophobicContact CE2-CB 4.04Å; F142-A193 HydrophobicContact CG-CB 3.93Å; F142-A193 HydrophobicContact CZ-CB 3.98Å; F142-F228 HydrophobicContact CB-CB 4.09Å; F142-F228 HydrophobicContact CB-CD1 3.97Å; F142-F228 HydrophobicContact CD1-CB 4.3Å; F142-F228 HydrophobicContact CG-CB 4.44Å; F142-T229 CarbonylContact C-O 3.23Å; F142-T229 WeakPolarHBondContact CA-O 3.28Å; F142-P230 HydrophobicContact CD1-CB 3.99Å; F142-P230 HydrophobicContact CE1-CB 3.98Å
143	Y	96.5	Very high	94.2	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	147.1	169.3	62.8	-79.7	0	0	0	110.1	V152 T229 V231 Y457 L460 K461 N464 H473	Y143-V152 WeakPolarHBondContact CA-O 3.49Å; Y143-T229 VanDerWaalsContact CD1-O 3.29Å; Y143-T229 WeakPolarHBondContact CD1-O 3.35Å; Y143-T229 HydrophobicContact CE1-CG2 3.87Å; Y143-T229 HydrophobicContact CE2-CG2 4.41Å; Y143-T229 PolarHBondContact N-O 3.42Å; Y143-T229 PolarHBondContact O-N 2.98Å; Y143-T229 WeakPolarHBondContact OH-CG2 3.16Å; Y143-V231 HydrophobicContact CD1-CG2 3.68Å; Y143-V231 HydrophobicContact CE1-CG2 4.27Å; Y143-Y457 AromaticContact CD2-CD2 3.93Å; Y143-Y457 HydrophobicContact CD2-CD2 3.93Å; Y143-Y457 AromaticContact CD2-CE2 3.74Å; Y143-Y457 HydrophobicContact CD2-CE2 3.74Å; Y143-L460 HydrophobicContact CD1-CB 4.37Å; Y143-L460 HydrophobicContact CG-CB 4.45Å; Y143-K461 HydrophobicContact CD2-CB 4.32Å; Y143-K461 HydrophobicContact CE2-CB 3.62Å; Y143-K461 HydrophobicContact CE2-CD 4.47Å; Y143-K461 HydrophobicContact CE2-CG 4.02Å; Y143-N464 HydrophobicContact CE1-CB 4.43Å; Y143-N464 VanDerWaalsContact OH-CB 3.29Å; Y143-N464 WeakPolarHBondContact OH-CB 3.36Å; Y143-N464 PolarHBondContact OH-ND2 2.62Å; Y143-N464 VanDerWaalsContact OH-ND2 3.08Å; Y143-H473 AromaticContact CE2-NE2 3.96Å; Y143-H473 AromaticContact CZ-NE2 3.83Å; Y143-H473 PolarHBondContact OH-NE2 3.28Å
144	A	95.6	Very high	94.3	Very high	2 Å²	2	51 Å²	51	2%	0.017	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	160.7	175.6	0	0	0	0	0	109.9	V152 T225 L227 F228 Y457	A144-V152 HydrophobicContact CB-CB 4.39Å; A144-V152 PolarHBondContact N-O 2.86Å; A144-V152 PolarHBondContact O-N 2.83Å; A144-T225 HydrophobicContact CB-CG2 3.84Å; A144-L227 WeakPolarHBondContact CB-O 3.33Å; A144-F228 HydrophobicContact CB-CD1 3.79Å; A144-F228 HydrophobicContact CB-CD2 4.18Å; A144-F228 HydrophobicContact CB-CE1 3.83Å; A144-F228 HydrophobicContact CB-CE2 4.22Å; A144-F228 HydrophobicContact CB-CG 3.97Å; A144-F228 HydrophobicContact CB-CZ 4.04Å; A144-Y457 WeakPolarHBondContact O-CE2 3.47Å
145	L	94.9	Very high	94.3	Very high	92 Å²	92	51 Å²	51	48%	0.482	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	130.9	162.3	-171.2	65.2	0	0	0	107.4	P151 T225 Y457	L145-P151 HydrophobicContact CD1-CG 4.02Å; L145-T225 WeakPolarHBondContact O-CB 3.44Å; L145-T225 PolarHBondContact O-OG1 3.44Å; L145-Y457 HydrophobicContact CB-CE2 4.2Å
146	D	93.2	Very high	94.2	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.011	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.7	178.3	-176.2	-85	0	0	0	109.5	K148 L149 G150 V152 I223 T224 T225	D146-K148 PolarHBondContact O-N 3.43Å; D146-K148 PolarHBondContact OD1-N 3.44Å; D146-L149 HydrophobicContact CB-CB 4.13Å; D146-L149 WeakPolarHBondContact OD1-CB 3.31Å; D146-L149 PolarHBondContact OD1-N 2.9Å; D146-G150 WeakPolarHBondContact CB-O 3.1Å; D146-G150 PolarHBondContact N-O 3.29Å; D146-G150 VanDerWaalsContact O-CA 3.25Å; D146-G150 WeakPolarHBondContact O-CA 3.42Å; D146-G150 PolarHBondContact O-N 2.76Å; D146-V152 HydrophobicContact CB-CG2 3.86Å; D146-I223 WeakPolarHBondContact OD2-CA 3.38Å; D146-T224 PolarHBondContact OD2-N 3.23Å; D146-T224 PolarHBondContact OD2-OG1 2.77Å; D146-T225 HydrophobicContact CB-CG2 3.88Å; D146-T225 PolarHBondContact OD2-N 2.94Å
147	D	90.2	Very high	94.2	Very high	147 Å²	147	45.4 Å²	45.4	79%	0.786	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-23.2	-171.9	-49.2	-61.4	0	0	0	113.2	T224	D147-T224 PolarHBondContact OD2-OG1 2.96Å
148	K	89.5	Confident	94	Very high	154 Å²	154	44.1 Å²	44.1	67%	0.67	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-37.9	-178.1	-64.1	-180	-176.2	167	0	112.6	D146 T224	D146-K148 PolarHBondContact O-N 3.43Å; D146-K148 PolarHBondContact OD1-N 3.44Å; K148-T224 HydrophobicContact CD-CG2 3.78Å; K148-T224 HydrophobicContact CG-CG2 4.34Å
149	L	89.6	Confident	93.8	Very high	33 Å²	33	38.2 Å²	38.2	17%	0.173	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-13.4	-174.2	-57.1	175.3	0	0	0	113	D146 L173 N222 I223	D146-L149 HydrophobicContact CB-CB 4.13Å; D146-L149 WeakPolarHBondContact OD1-CB 3.31Å; D146-L149 PolarHBondContact OD1-N 2.9Å; L149-L173 HydrophobicContact CB-CD2 4.42Å; L149-L173 HydrophobicContact CD1-CD1 4.32Å; L149-L173 HydrophobicContact CD1-CD2 4.13Å; L149-N222 HydrophobicContact CD1-CB 4.21Å; L149-N222 HydrophobicContact CD2-CB 4.2Å; L149-I223 HydrophobicContact CD1-CB 4.49Å; L149-I223 HydrophobicContact CD1-CG1 3.69Å
150	G	93.3	Very high	93.5	Very high	13 Å²	13	41.3 Å²	41.3	13%	0.134	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.7	-145.8	-173	0	0	0	0	0	111.6	D146 V152	D146-G150 WeakPolarHBondContact CB-O 3.1Å; D146-G150 PolarHBondContact N-O 3.29Å; D146-G150 VanDerWaalsContact O-CA 3.25Å; D146-G150 WeakPolarHBondContact O-CA 3.42Å; D146-G150 PolarHBondContact O-N 2.76Å; G150-V152 PolarHBondContact O-N 2.85Å
151	P	96.2	Very high	92.8	Very high	7 Å²	7	38.8 Å²	38.8	5%	0.045	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	134.4	-179.5	-26	37.7	0	0	0	113.6	L145 E454 Y457	L145-P151 HydrophobicContact CD1-CG 4.02Å; P151-E454 HydrophobicContact CG-CG 3.9Å; P151-Y457 HydrophobicContact CB-CD1 4.25Å; P151-Y457 HydrophobicContact CB-CD2 4.09Å; P151-Y457 HydrophobicContact CB-CG 3.71Å; P151-Y457 HydrophobicContact CG-CD1 4.19Å; P151-Y457 HydrophobicContact CG-CG 4.16Å
152	V	94.7	Very high	92.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	133	178.6	-176.4	0	0	0	0	108.9	Y143 A144 D146 G150 L171 L173 F228	Y143-V152 WeakPolarHBondContact CA-O 3.49Å; A144-V152 HydrophobicContact CB-CB 4.39Å; A144-V152 PolarHBondContact N-O 2.86Å; A144-V152 PolarHBondContact O-N 2.83Å; D146-V152 HydrophobicContact CB-CG2 3.86Å; G150-V152 PolarHBondContact O-N 2.85Å; V152-L171 HydrophobicContact CG1-CD1 3.45Å; V152-L171 VanDerWaalsContact CG1-CD1 3.45Å; V152-L173 HydrophobicContact CB-CD2 4.36Å; V152-L173 HydrophobicContact CG1-CD2 3.99Å; V152-L173 HydrophobicContact CG2-CD2 3.8Å; V152-F228 HydrophobicContact CG1-CE1 3.94Å; V152-F228 HydrophobicContact CG1-CZ 4.21Å
153	V	96.5	Very high	91.5	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126	171.9	-178	0	0	0	0	109.8	F142 R172 I240 L456 L460	F142-V153 WeakPolarHBondContact O-CA 3.42Å; V153-R172 HydrophobicContact CB-CB 4.28Å; V153-R172 PolarHBondContact N-O 2.84Å; V153-R172 VanDerWaalsContact N-O 3.13Å; V153-R172 PolarHBondContact O-N 3.38Å; V153-I240 HydrophobicContact CG1-CD1 4Å; V153-I240 HydrophobicContact CG1-CG1 4.13Å; V153-L456 HydrophobicContact CG2-CD2 4.01Å; V153-L456 HydrophobicContact CG2-CG 4.49Å; V153-L460 HydrophobicContact CG1-CD1 4.14Å; V153-L460 HydrophobicContact CG2-CD1 3.99Å
154	L	95.4	Very high	91	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	132	-171.3	175.6	70.9	0	0	0	109.5	N141 F142 I156 I169 L171 A193 A197 F228	N141-L154 CarbonylContact C-O 3.54Å; N141-L154 WeakPolarHBondContact CA-O 3.21Å; F142-L154 HydrophobicContact CB-CB 4.33Å; F142-L154 HydrophobicContact CB-CD2 4.47Å; F142-L154 HydrophobicContact CD2-CD2 4.1Å; F142-L154 PolarHBondContact N-O 3.02Å; F142-L154 PolarHBondContact O-N 2.91Å; L154-I156 HydrophobicContact CD1-CG1 4.31Å; L154-I156 HydrophobicContact CD2-CD1 3.81Å; L154-I156 HydrophobicContact CD2-CG1 4.21Å; L154-I156 HydrophobicContact CG-CD1 4.11Å; L154-I156 HydrophobicContact CG-CG1 3.94Å; L154-I169 HydrophobicContact CD1-CG2 3.85Å; L154-L171 HydrophobicContact CD1-CB 4.44Å; L154-L171 HydrophobicContact CD1-CD1 4.07Å; L154-A193 HydrophobicContact CD2-CB 4.17Å; L154-A193 WeakPolarHBondContact CD2-O 3.35Å; L154-A197 HydrophobicContact CD1-CB 4.17Å; L154-A197 HydrophobicContact CD2-CB 4.01Å; L154-F228 HydrophobicContact CB-CD1 4.35Å; L154-F228 HydrophobicContact CB-CE1 4.14Å; L154-F228 HydrophobicContact CD2-CD1 4.01Å; L154-F228 HydrophobicContact CD2-CE1 4.04Å
155	S	96.1	Very high	90.6	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	142.6	168.5	-57.2	0	0	0	0	110.4	Y130 F140 N141 M170 R172	Y130-S155 VanDerWaalsContact CE2-OG 3.24Å; Y130-S155 WeakPolarHBondContact CE2-OG 3.31Å; F140-S155 CarbonylContact O-C 3.52Å; F140-S155 WeakPolarHBondContact O-CA 3.48Å; N141-S155 VanDerWaalsContact OD1-CB 3.27Å; N141-S155 WeakPolarHBondContact OD1-CB 3.34Å; N141-S155 PolarHBondContact OD1-OG 2.95Å; S155-M170 PolarHBondContact N-O 2.88Å; S155-M170 PolarHBondContact O-N 2.88Å; S155-R172 VanDerWaalsContact CB-NH1 3.28Å; S155-R172 PolarHBondContact OG-NH1 2.97Å; S155-R172 PolarHBondContact OG-NH2 3.23Å
156	I	93.2	Very high	90.3	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.026	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	127.1	-175.3	-43.5	-176.7	0	0	0	109.3	H139 F140 F142 L154 L167 R168 I169 M196	H139-I156 CarbonylContact C-O 3.54Å; H139-I156 WeakPolarHBondContact CA-O 3.5Å; H139-I156 WeakPolarHBondContact CB-O 3.46Å; F140-I156 PolarHBondContact N-O 2.74Å; F140-I156 PolarHBondContact O-N 3.43Å; F142-I156 HydrophobicContact CD2-CD1 4.22Å; F142-I156 HydrophobicContact CE2-CD1 3.87Å; F142-I156 HydrophobicContact CE2-CG1 4.41Å; L154-I156 HydrophobicContact CD1-CG1 4.31Å; L154-I156 HydrophobicContact CD2-CD1 3.81Å; L154-I156 HydrophobicContact CD2-CG1 4.21Å; L154-I156 HydrophobicContact CG-CD1 4.11Å; L154-I156 HydrophobicContact CG-CG1 3.94Å; I156-L167 HydrophobicContact CG2-CD2 3.65Å; I156-R168 WeakPolarHBondContact CA-O 3.44Å; I156-I169 HydrophobicContact CG2-CG1 4.44Å; I156-M196 HydrophobicContact CD1-CB 3.89Å; I156-M196 HydrophobicContact CD1-CE 3.46Å; I156-M196 VanDerWaalsContact CD1-CE 3.46Å; I156-M196 HydrophobicContact CD1-CG 4.39Å; I156-M196 HydrophobicContact CD1-SD 3.68Å; I156-M196 HydrophobicContact CG2-SD 3.94Å
157	H	92.9	Very high	90.1	Very high	26 Å²	26	61.4 Å²	61.4	12%	0.12	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.9	174.9	174.7	56.1	0	0	0	109.2	H133 F134 D138 H139 E159 R168	H133-H157 PolarHBondContact O-CD2 3.33Å; H133-H157 VanDerWaalsContact O-CD2 3.26Å; F134-H157 HydrophobicContact CD1-CB 3.76Å; F134-H157 HydrophobicContact CE1-CB 3.76Å; F134-H157 HydrophobicContact CG-CB 4.47Å; D138-H157 PolarHBondContact O-ND1 3.36Å; H139-H157 HydrophobicContact CB-CB 4.21Å; H157-E159 IonicContact CD2-OE2 2.93Å; H157-R168 HydrophobicContact CB-CB 4.47Å; H157-R168 PolarHBondContact N-O 2.81Å; H157-R168 PolarHBondContact O-N 3.41Å
158	T	90.1	Very high	90.1	Very high	70 Å²	70	55.4 Å²	55.4	43%	0.429	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	127.7	172.9	-46	0	0	0	0	109.2	H166 L167	T158-H166 WeakPolarHBondContact CA-O 3.4Å; T158-L167 HydrophobicContact CG2-CD2 4.33Å; T158-L167 VanDerWaalsContact OG1-CD2 3.31Å; T158-L167 WeakPolarHBondContact OG1-CD2 3.45Å
159	E	88.8	Confident	90.2	Very high	29 Å²	29	48.3 Å²	48.3	14%	0.136	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	133	179.9	56.5	-176.1	-144.9	0	0	110.6	H157 M161 H166 R168	H157-E159 IonicContact CD2-OE2 2.93Å; E159-M161 HydrophobicContact CG-CG 4.44Å; E159-H166 HydrophobicContact CG-CB 4.2Å; E159-H166 PolarHBondContact N-O 2.84Å; E159-H166 PolarHBondContact O-N 2.84Å; E159-R168 VanDerWaalsContact CD-NH2 3.29Å; E159-R168 IonicContact OE1-CZ 2.64Å; E159-R168 IonicContact OE1-NE 2.62Å; E159-R168 PolarHBondContact OE1-NE 3.02Å; E159-R168 IonicContact OE1-NH2 3.65Å; E159-R168 PolarHBondContact OE1-NH2 3.14Å; E159-R168 IonicContact OE2-CZ 3.69Å; E159-R168 IonicContact OE2-NE 3.45Å; E159-R168 PolarHBondContact OE2-NE 2.73Å; E159-R168 IonicContact OE2-NH2 3.91Å; E159-R168 PolarHBondContact OE2-NH2 2.96Å
160	T	87.8	Confident	90.3	Very high	103 Å²	103	46.7 Å²	46.7	63%	0.632	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	115	176.4	-43.9	0	0	0	0	109.7
161	M	81.8	Confident	90.3	Very high	87 Å²	87	46.4 Å²	46.4	43%	0.429	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125	176.2	-60.3	-169.3	73.8	0	0	109.6	E159 F163 Q164	E159-M161 HydrophobicContact CG-CG 4.44Å; M161-F163 VanDerWaalsContact C-N 3.28Å; M161-F163 PolarHBondContact O-N 3.43Å; M161-Q164 PolarHBondContact N-O 3.26Å; M161-Q164 PolarHBondContact O-N 3.29Å
162	S	81.8	Confident	90.2	Very high	112 Å²	112	46 Å²	46	78%	0.783	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	45.1	177.5	-57.3	0	0	0	0	114.2	Q164	S162-Q164 PolarHBondContact O-N 3.49Å
163	F	84.1	Confident	90.1	Very high	210 Å²	210	46.6 Å²	46.6	92%	0.921	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.9	13.8	-175.9	-47.4	-80.9	0	0	0	115.9	M161	M161-F163 VanDerWaalsContact C-N 3.28Å; M161-F163 PolarHBondContact O-N 3.43Å
164	Q	84.3	Confident	89.8	Confident	126 Å²	126	49.3 Å²	49.3	59%	0.589	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118	133.2	173.4	-66.9	-175.9	-9.3	0	0	110.9	M161 S162 H166	M161-Q164 PolarHBondContact N-O 3.26Å; M161-Q164 PolarHBondContact O-N 3.29Å; S162-Q164 PolarHBondContact O-N 3.49Å; Q164-H166 PolarHBondContact O-N 2.94Å; Q164-H166 PolarHBondContact O-ND1 3.05Å
165	E	87.7	Confident	89.3	Confident	123 Å²	123	54 Å²	54	58%	0.575	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.5	129.1	174.5	-64.6	-169.9	139.5	0	0	111.1	A184	E165-A184 HydrophobicContact CB-CB 3.92Å; E165-A184 WeakPolarHBondContact O-CB 3.42Å; E165-A184 PolarHBondContact O-N 3.37Å
166	H	88.7	Confident	88.9	Confident	31 Å²	31	55.1 Å²	55.1	14%	0.144	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	147.8	175.8	-72	70.3	0	0	0	109.4	T158 E159 Q164 I181 I182	T158-H166 WeakPolarHBondContact CA-O 3.4Å; E159-H166 HydrophobicContact CG-CB 4.2Å; E159-H166 PolarHBondContact N-O 2.84Å; E159-H166 PolarHBondContact O-N 2.84Å; Q164-H166 PolarHBondContact O-N 2.94Å; Q164-H166 PolarHBondContact O-ND1 3.05Å; H166-I181 HydrophobicContact CB-CG2 3.88Å; H166-I182 CarbonylContact C-O 3.27Å; H166-I182 VanDerWaalsContact CA-O 3.28Å; H166-I182 WeakPolarHBondContact CA-O 3.4Å
167	L	88.6	Confident	88.7	Confident	13 Å²	13	56.2 Å²	56.2	7%	0.068	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.6	174.8	-79.7	157.9	0	0	0	108.5	I156 T158 I169 I182 A184 L187 M196	I156-L167 HydrophobicContact CG2-CD2 3.65Å; T158-L167 HydrophobicContact CG2-CD2 4.33Å; T158-L167 VanDerWaalsContact OG1-CD2 3.31Å; T158-L167 WeakPolarHBondContact OG1-CD2 3.45Å; L167-I169 HydrophobicContact CB-CG1 4.49Å; L167-I182 HydrophobicContact CB-CG1 4.09Å; L167-I182 PolarHBondContact N-O 3.22Å; L167-I182 PolarHBondContact O-N 2.89Å; L167-A184 HydrophobicContact CD1-CB 4.09Å; L167-L187 HydrophobicContact CD1-CD1 3.32Å; L167-M196 HydrophobicContact CD1-SD 4.26Å
168	R	91.5	Very high	88.4	Confident	22 Å²	22	56.4 Å²	56.4	8%	0.083	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	115.6	170.9	-174.4	-177.8	-64.9	-81.4	-5.9	108.3	F134 I156 H157 E159 H179 E180 I181	F134-R168 HydrophobicContact CE2-CG 4Å; F134-R168 HydrophobicContact CZ-CB 4.37Å; F134-R168 HydrophobicContact CZ-CG 3.77Å; I156-R168 WeakPolarHBondContact CA-O 3.44Å; H157-R168 HydrophobicContact CB-CB 4.47Å; H157-R168 PolarHBondContact N-O 2.81Å; H157-R168 PolarHBondContact O-N 3.41Å; E159-R168 VanDerWaalsContact CD-NH2 3.29Å; E159-R168 IonicContact OE1-CZ 2.64Å; E159-R168 IonicContact OE1-NE 2.62Å; E159-R168 PolarHBondContact OE1-NE 3.02Å; E159-R168 IonicContact OE1-NH2 3.65Å; E159-R168 PolarHBondContact OE1-NH2 3.14Å; E159-R168 IonicContact OE2-CZ 3.69Å; E159-R168 IonicContact OE2-NE 3.45Å; E159-R168 PolarHBondContact OE2-NE 2.73Å; E159-R168 IonicContact OE2-NH2 3.91Å; E159-R168 PolarHBondContact OE2-NH2 2.96Å; R168-H179 PolarHBondContact NH1-CE1 3.41Å; R168-H179 PolarHBondContact NH1-NE2 3.47Å; R168-E180 WeakPolarHBondContact CA-O 3.26Å; R168-I181 HydrophobicContact CG-CG1 4.42Å
169	I	90.7	Very high	88.3	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.5	-174.4	-63.7	173.8	0	0	0	108.5	L154 I156 L167 H179 E180 I182 M196	L154-I169 HydrophobicContact CD1-CG2 3.85Å; I156-I169 HydrophobicContact CG2-CG1 4.44Å; L167-I169 HydrophobicContact CB-CG1 4.49Å; I169-H179 WeakPolarHBondContact O-CA 3.28Å; I169-E180 PolarHBondContact N-O 2.9Å; I169-E180 PolarHBondContact O-N 2.75Å; I169-I182 HydrophobicContact CD1-CD1 3.61Å; I169-I182 HydrophobicContact CD1-CG1 4.02Å; I169-M196 HydrophobicContact CD1-CB 4.1Å; I169-M196 HydrophobicContact CD1-CG 4.49Å
170	M	92.9	Very high	88.1	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	112.9	172	-159.5	153.8	103.8	0	0	111.7	I126 C129 Y130 F134 S155 R172 T177 V178 H179 D244	I126-M170 HydrophobicContact CG2-SD 4.12Å; C129-M170 HydrophobicContact CB-CE 4.38Å; C129-M170 HydrophobicContact CB-SD 3.74Å; Y130-M170 HydrophobicContact CD2-CE 4.4Å; F134-M170 HydrophobicContact CE2-CB 4.19Å; F134-M170 HydrophobicContact CZ-CB 3.88Å; S155-M170 PolarHBondContact N-O 2.88Å; S155-M170 PolarHBondContact O-N 2.88Å; M170-R172 PolarHBondContact O-NH1 2.9Å; M170-T177 HydrophobicContact CE-CG2 4.17Å; M170-T177 HydrophobicContact CG-CG2 3.53Å; M170-T177 HydrophobicContact SD-CG2 4.07Å; M170-V178 CarbonylContact C-O 3.58Å; M170-V178 WeakPolarHBondContact CA-O 3.22Å; M170-H179 HydrophobicContact CG-CB 4.01Å; M170-H179 HydrophobicContact SD-CB 3.9Å; M170-D244 HydrophobicContact CE-CB 4.41Å; M170-D244 WeakPolarHBondContact CE-OD2 3.43Å
171	L	92.7	Very high	88.1	Confident	6 Å²	6	54.1 Å²	54.1	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.8	-172.8	178.6	75.6	0	0	0	109.6	V152 L154 L173 T177 V178 A197 I223	V152-L171 HydrophobicContact CG1-CD1 3.45Å; V152-L171 VanDerWaalsContact CG1-CD1 3.45Å; L154-L171 HydrophobicContact CD1-CB 4.44Å; L154-L171 HydrophobicContact CD1-CD1 4.07Å; L171-L173 HydrophobicContact CD2-CD1 4.3Å; L171-L173 HydrophobicContact CD2-CD2 4.4Å; L171-L173 HydrophobicContact CD2-CG 4.35Å; L171-L173 HydrophobicContact CG-CD2 4.27Å; L171-L173 HydrophobicContact CG-CG 4.3Å; L171-T177 CarbonylContact O-C 3.58Å; L171-T177 WeakPolarHBondContact O-CA 3.44Å; L171-V178 HydrophobicContact CB-CB 4.41Å; L171-V178 PolarHBondContact N-O 2.69Å; L171-V178 PolarHBondContact O-N 2.76Å; L171-A197 HydrophobicContact CD1-CB 4.07Å; L171-I223 HydrophobicContact CD1-CD1 4.43Å; L171-I223 HydrophobicContact CD2-CD1 4.04Å
172	R	93.9	Very high	88.1	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.4	177.5	-68.9	58	159.2	-141.8	-9.4	108.2	V153 S155 M170 T177 F243 D244 I453	V153-R172 HydrophobicContact CB-CB 4.28Å; V153-R172 PolarHBondContact N-O 2.84Å; V153-R172 VanDerWaalsContact N-O 3.13Å; V153-R172 PolarHBondContact O-N 3.38Å; S155-R172 VanDerWaalsContact CB-NH1 3.28Å; S155-R172 PolarHBondContact OG-NH1 2.97Å; S155-R172 PolarHBondContact OG-NH2 3.23Å; M170-R172 PolarHBondContact O-NH1 2.9Å; R172-T177 HydrophobicContact CG-CG2 4.24Å; R172-F243 HydrophobicContact CB-CE1 4.07Å; R172-F243 HydrophobicContact CG-CD1 4.12Å; R172-F243 HydrophobicContact CG-CE1 3.66Å; R172-D244 WeakPolarHBondContact CG-OD1 3.41Å; R172-D244 IonicContact CZ-OD1 3.06Å; R172-D244 IonicContact CZ-OD2 3.33Å; R172-D244 VanDerWaalsContact CZ-OD2 3.29Å; R172-D244 IonicContact NE-OD1 3.74Å; R172-D244 PolarHBondContact NE-OD1 3.08Å; R172-D244 IonicContact NE-OD2 3.6Å; R172-D244 PolarHBondContact NE-OD2 2.86Å; R172-D244 VanDerWaalsContact NE-OD2 3.11Å; R172-D244 IonicContact NH2-OD1 2.77Å; R172-D244 IonicContact NH2-OD2 3.81Å; R172-D244 PolarHBondContact NH2-OD2 2.66Å; R172-I453 HydrophobicContact CB-CD1 3.79Å; R172-I453 WeakPolarHBondContact O-CD1 3.33Å
173	L	92	Very high	88.2	Confident	11 Å²	11	46.8 Å²	46.8	6%	0.058	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	167.5	171.3	-55.5	176.2	0	0	0	109.2	L149 V152 L171 T175 G176 R449	L149-L173 HydrophobicContact CB-CD2 4.42Å; L149-L173 HydrophobicContact CD1-CD1 4.32Å; L149-L173 HydrophobicContact CD1-CD2 4.13Å; V152-L173 HydrophobicContact CB-CD2 4.36Å; V152-L173 HydrophobicContact CG1-CD2 3.99Å; V152-L173 HydrophobicContact CG2-CD2 3.8Å; L171-L173 HydrophobicContact CD2-CD1 4.3Å; L171-L173 HydrophobicContact CD2-CD2 4.4Å; L171-L173 HydrophobicContact CD2-CG 4.35Å; L171-L173 HydrophobicContact CG-CD2 4.27Å; L171-L173 HydrophobicContact CG-CG 4.3Å; L173-T175 VanDerWaalsContact C-N 3.27Å; L173-T175 PolarHBondContact O-N 2.71Å; L173-G176 PolarHBondContact N-O 3.09Å; L173-G176 PolarHBondContact O-N 3.42Å; L173-R449 PolarHBondContact O-NE 3.39Å; L173-R449 PolarHBondContact O-NH2 2.82Å
174	K	91.2	Very high	88.1	Confident	57 Å²	57	37.9 Å²	37.9	25%	0.248	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-46	170.4	-71.2	-174.5	172.1	-168	0	112.6	G176 R449 I453 E454	K174-G176 PolarHBondContact O-N 3.05Å; K174-R449 VanDerWaalsContact O-CD 3.23Å; K174-R449 WeakPolarHBondContact O-CD 3.46Å; K174-R449 PolarHBondContact O-NE 2.76Å; K174-I453 HydrophobicContact CG-CG2 3.82Å; K174-E454 WeakPolarHBondContact CE-OE1 3.49Å; K174-E454 IonicContact NZ-OE1 2.76Å; K174-E454 PolarHBondContact NZ-OE1 2.97Å
175	T	85.2	Confident	87.8	Confident	100 Å²	100	37 Å²	37	61%	0.613	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-13.7	-175.5	54.1	0	0	0	0	114.9	L173	L173-T175 VanDerWaalsContact C-N 3.27Å; L173-T175 PolarHBondContact O-N 2.71Å
176	G	86.7	Confident	87.1	Confident	23 Å²	23	33.4 Å²	33.4	24%	0.237	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.4	175.7	-178.6	0	0	0	0	0	114.5	L173 K174 R449	L173-G176 PolarHBondContact N-O 3.09Å; L173-G176 PolarHBondContact O-N 3.42Å; K174-G176 PolarHBondContact O-N 3.05Å; G176-R449 PolarHBondContact O-NH2 3.3Å
177	T	89.2	Confident	86.2	Confident	27 Å²	27	32 Å²	32	17%	0.166	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.7	169.1	-62	0	0	0	0	108.9	I126 M170 L171 R172 R449	I126-T177 HydrophobicContact CG2-CG2 3.59Å; M170-T177 HydrophobicContact CE-CG2 4.17Å; M170-T177 HydrophobicContact CG-CG2 3.53Å; M170-T177 HydrophobicContact SD-CG2 4.07Å; L171-T177 CarbonylContact O-C 3.58Å; L171-T177 WeakPolarHBondContact O-CA 3.44Å; R172-T177 HydrophobicContact CG-CG2 4.24Å; T177-R449 PolarHBondContact OG1-NH1 2.88Å; T177-R449 VanDerWaalsContact OG1-NH1 3.14Å; T177-R449 PolarHBondContact OG1-NH2 3.08Å
178	V	86.8	Confident	85.3	Confident	31 Å²	31	33 Å²	33	19%	0.188	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.6	170.3	-176.1	0	0	0	0	108	M170 L171 E180 G200	M170-V178 CarbonylContact C-O 3.58Å; M170-V178 WeakPolarHBondContact CA-O 3.22Å; L171-V178 HydrophobicContact CB-CB 4.41Å; L171-V178 PolarHBondContact N-O 2.69Å; L171-V178 PolarHBondContact O-N 2.76Å; V178-E180 HydrophobicContact CG1-CG 4.15Å; V178-G200 WeakPolarHBondContact CG1-O 3.49Å
179	H	88.3	Confident	84.2	Confident	50 Å²	50	40 Å²	40	23%	0.231	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.4	176.7	163.5	-114.3	0	0	0	109.3	I126 C129 R168 I169 M170	I126-H179 HydrophobicContact CG2-CB 3.93Å; C129-H179 PolarHBondContact SG-CD2 2.86Å; C129-H179 PolarHBondContact SG-CE1 2.89Å; C129-H179 PolarHBondContact SG-NE2 2.88Å; R168-H179 PolarHBondContact NH1-CE1 3.41Å; R168-H179 PolarHBondContact NH1-NE2 3.47Å; I169-H179 WeakPolarHBondContact O-CA 3.28Å; M170-H179 HydrophobicContact CG-CB 4.01Å; M170-H179 HydrophobicContact SD-CB 3.9Å
180	E	83.9	Confident	83.1	Confident	43 Å²	43	46.4 Å²	46.4	20%	0.201	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	160.8	-173.7	-74.1	-75.2	-167.3	0	0	110.9	R168 I169 V178	R168-E180 WeakPolarHBondContact CA-O 3.26Å; I169-E180 PolarHBondContact N-O 2.9Å; I169-E180 PolarHBondContact O-N 2.75Å; V178-E180 HydrophobicContact CG1-CG 4.15Å
181	I	87.1	Confident	82.3	Confident	61 Å²	61	49.3 Å²	49.3	31%	0.313	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.5	168.9	-48.4	169.7	0	0	0	107	H166 R168	H166-I181 HydrophobicContact CB-CG2 3.88Å; R168-I181 HydrophobicContact CG-CG1 4.42Å
182	I	83.1	Confident	81.9	Confident	3 Å²	3	52.3 Å²	52.3	2%	0.015	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.2	178.3	63.7	171.9	0	0	0	110.8	H166 L167 I169 L187 V199	H166-I182 CarbonylContact C-O 3.27Å; H166-I182 VanDerWaalsContact CA-O 3.28Å; H166-I182 WeakPolarHBondContact CA-O 3.4Å; L167-I182 HydrophobicContact CB-CG1 4.09Å; L167-I182 PolarHBondContact N-O 3.22Å; L167-I182 PolarHBondContact O-N 2.89Å; I169-I182 HydrophobicContact CD1-CD1 3.61Å; I169-I182 HydrophobicContact CD1-CG1 4.02Å; I182-L187 HydrophobicContact CD1-CD1 4.02Å; I182-L187 HydrophobicContact CD1-CD2 4.11Å; I182-L187 HydrophobicContact CD1-CG 3.97Å; I182-V199 HydrophobicContact CD1-CB 4.21Å; I182-V199 HydrophobicContact CD1-CG1 3.66Å
183	P	84.2	Confident	81.5	Confident	41 Å²	41	53 Å²	53	27%	0.266	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	136.5	166	-22.4	33.6	0	0	0	110.4	S185 C186	P183-S185 PolarHBondContact O-N 3.5Å; P183-C186 VanDerWaalsContact O-CB 3.3Å; P183-C186 WeakPolarHBondContact O-CB 3.06Å; P183-C186 PolarHBondContact O-N 2.87Å
184	A	81.1	Confident	81.1	Confident	24 Å²	24	52.6 Å²	52.6	20%	0.198	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-60.7	-31	-177.6	0	0	0	0	0	112.6	E165 L167 C186 L187	E165-A184 HydrophobicContact CB-CB 3.92Å; E165-A184 WeakPolarHBondContact O-CB 3.42Å; E165-A184 PolarHBondContact O-N 3.37Å; L167-A184 HydrophobicContact CD1-CB 4.09Å; A184-C186 PolarHBondContact O-N 3.22Å; A184-C186 VanDerWaalsContact O-N 3.08Å; A184-L187 PolarHBondContact O-N 3.23Å; A184-L187 VanDerWaalsContact O-N 3.14Å
185	S	78.5	Confident	80.6	Confident	106 Å²	106	54.6 Å²	54.6	74%	0.741	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-57.8	-18.5	174.1	54.9	0	0	0	0	114.7	P183 L187	P183-S185 PolarHBondContact O-N 3.5Å; S185-L187 VanDerWaalsContact C-N 3.28Å; S185-L187 PolarHBondContact O-N 2.93Å
186	C	72.2	Confident	80.6	Confident	48 Å²	48	50.7 Å²	50.7	32%	0.324	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-72.6	-16.2	176.9	-68.2	0	0	0	0	114	P183 A184 L216	P183-C186 VanDerWaalsContact O-CB 3.3Å; P183-C186 WeakPolarHBondContact O-CB 3.06Å; P183-C186 PolarHBondContact O-N 2.87Å; A184-C186 PolarHBondContact O-N 3.22Å; A184-C186 VanDerWaalsContact O-N 3.08Å; C186-L216 VanDerWaalsContact O-CD2 3.22Å; C186-L216 WeakPolarHBondContact O-CD2 3.25Å
187	L	71.1	Confident	80.3	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	29%	0.289	C	S	.	.	S	Bend	trans	-95	-18	-176	-67.1	162.6	0	0	0	114	L167 I182 A184 S185 P191 R195 M196 V199	L167-L187 HydrophobicContact CD1-CD1 3.32Å; I182-L187 HydrophobicContact CD1-CD1 4.02Å; I182-L187 HydrophobicContact CD1-CD2 4.11Å; I182-L187 HydrophobicContact CD1-CG 3.97Å; A184-L187 PolarHBondContact O-N 3.23Å; A184-L187 VanDerWaalsContact O-N 3.14Å; S185-L187 VanDerWaalsContact C-N 3.28Å; S185-L187 PolarHBondContact O-N 2.93Å; L187-P191 HydrophobicContact CB-CB 3.96Å; L187-P191 HydrophobicContact CD1-CB 3.79Å; L187-P191 HydrophobicContact CG-CB 4.4Å; L187-R195 HydrophobicContact CD2-CG 4.33Å; L187-R195 PolarHBondContact O-NE 2.74Å; L187-R195 VanDerWaalsContact O-NE 3.11Å; L187-R195 PolarHBondContact O-NH1 2.84Å; L187-R195 PolarHBondContact O-NH2 3.39Å; L187-M196 HydrophobicContact CD1-CG 3.6Å; L187-M196 HydrophobicContact CD1-SD 3.96Å; L187-M196 HydrophobicContact CD2-CG 3.8Å; L187-M196 HydrophobicContact CG-CG 4.37Å; L187-V199 HydrophobicContact CD2-CB 3.9Å; L187-V199 HydrophobicContact CD2-CG1 4.26Å; L187-V199 HydrophobicContact CD2-CG2 3.95Å
188	G	69.2	Low	79.8	Confident	35 Å²	35	50 Å²	50	36%	0.361	29%	0.288	S	S	.	.			trans	70.2	-178	-170.2	0	0	0	0	0	113.5	L190	G188-L190 PolarHBondContact O-N 2.94Å
189	D	68.3	Low	78.9	Confident	170 Å²	170	48.8 Å²	48.8	91%	0.909	28%	0.281	S	S	*	.	S	Bend	trans	-66.5	-12	-158.6	-41.8	-46.6	0	0	0	116
190	L	67.5	Low	77.3	Confident	137 Å²	137	46.6 Å²	46.6	72%	0.717	27%	0.272	S	S	*	.			trans	-139.4	86.1	178.6	-150.7	75.3	0	0	0	111.5	G188 T192	G188-L190 PolarHBondContact O-N 2.94Å; L190-T192 PolarHBondContact O-N 3.02Å
191	P	75.6	Confident	75.7	Confident	61 Å²	61	51.7 Å²	51.7	40%	0.396	29%	0.289	S	S	.	.			trans	-76.1	104.4	178.5	30.1	-34.3	0	0	0	111.2	L187 M196	L187-P191 HydrophobicContact CB-CB 3.96Å; L187-P191 HydrophobicContact CD1-CB 3.79Å; L187-P191 HydrophobicContact CG-CB 4.4Å; P191-M196 HydrophobicContact CB-CE 4.09Å; P191-M196 HydrophobicContact CB-CG 4.2Å; P191-M196 HydrophobicContact CB-SD 3.97Å; P191-M196 WeakPolarHBondContact O-CE 3.28Å
192	T	84	Confident	73.5	Confident	70 Å²	70	52.7 Å²	52.7	43%	0.429	30%	0.295	S	S	.	.			trans	-81.9	155.8	170.5	68.6	0	0	0	0	111.2	L190 S194 R195 M196	L190-T192 PolarHBondContact O-N 3.02Å; T192-S194 VanDerWaalsContact C-N 3.28Å; T192-S194 PolarHBondContact O-N 3.26Å; T192-R195 PolarHBondContact O-N 2.84Å; T192-R195 WeakPolarHBondContact OG1-CB 3.42Å; T192-R195 PolarHBondContact OG1-N 3.5Å; T192-R195 VanDerWaalsContact OG1-N 3.1Å; T192-M196 PolarHBondContact O-N 2.96Å
193	A	85.8	Confident	71.6	Confident	13 Å²	13	55.2 Å²	55.2	11%	0.107	32%	0.317	C	S	.	.	H	α-helix	trans	-57.8	-40.1	176.3	0	0	0	0	0	112.4	F142 L154 M196 A197 F228	F142-A193 HydrophobicContact CD1-CB 3.85Å; F142-A193 HydrophobicContact CD2-CB 4.02Å; F142-A193 HydrophobicContact CE1-CB 3.88Å; F142-A193 HydrophobicContact CE2-CB 4.04Å; F142-A193 HydrophobicContact CG-CB 3.93Å; F142-A193 HydrophobicContact CZ-CB 3.98Å; L154-A193 HydrophobicContact CD2-CB 4.17Å; L154-A193 WeakPolarHBondContact CD2-O 3.35Å; A193-M196 PolarHBondContact O-N 2.72Å; A193-A197 WeakPolarHBondContact O-CB 3.38Å; A193-A197 PolarHBondContact O-N 3.2Å; A193-F228 HydrophobicContact CB-CB 3.69Å; A193-F228 HydrophobicContact CB-CG 4.09Å
194	S	84.9	Confident	69.4	Low	4 Å²	4	58.9 Å²	58.9	3%	0.028	34%	0.338	C	S	.	.	H	α-helix	trans	-58.5	-50.3	170.2	172.3	0	0	0	0	111.9	T192 M196 A197 K198 D226	T192-S194 VanDerWaalsContact C-N 3.28Å; T192-S194 PolarHBondContact O-N 3.26Å; S194-M196 VanDerWaalsContact C-N 3.28Å; S194-M196 PolarHBondContact O-N 2.76Å; S194-A197 PolarHBondContact O-N 2.81Å; S194-K198 VanDerWaalsContact O-CB 3.25Å; S194-K198 WeakPolarHBondContact O-CB 3.18Å; S194-K198 WeakPolarHBondContact O-CG 3.44Å; S194-K198 PolarHBondContact O-N 2.97Å; S194-K198 WeakPolarHBondContact OG-CD 3.37Å; S194-K198 WeakPolarHBondContact OG-CE 3.25Å; S194-K198 PolarHBondContact OG-NZ 2.96Å; S194-D226 WeakPolarHBondContact CB-OD1 3.33Å; S194-D226 PolarHBondContact OG-OD1 2.78Å
195	R	80.9	Confident	67.2	Low	99 Å²	99	65.2 Å²	65.2	37%	0.374	36%	0.362	S	S	.	.	H	α-helix	trans	-60.7	-37.2	179.1	-166.4	174.5	-171.3	170.6	-1.4	111.9	L187 T192 K198 V199	L187-R195 HydrophobicContact CD2-CG 4.33Å; L187-R195 PolarHBondContact O-NE 2.74Å; L187-R195 VanDerWaalsContact O-NE 3.11Å; L187-R195 PolarHBondContact O-NH1 2.84Å; L187-R195 PolarHBondContact O-NH2 3.39Å; T192-R195 PolarHBondContact O-N 2.84Å; T192-R195 WeakPolarHBondContact OG1-CB 3.42Å; T192-R195 PolarHBondContact OG1-N 3.5Å; T192-R195 VanDerWaalsContact OG1-N 3.1Å; R195-K198 CarbonylContact O-C 3.54Å; R195-K198 PolarHBondContact O-N 2.84Å; R195-V199 VanDerWaalsContact O-CG2 3.23Å; R195-V199 WeakPolarHBondContact O-CG2 3.11Å; R195-V199 PolarHBondContact O-N 3.11Å; R195-V199 VanDerWaalsContact O-N 3.12Å
196	M	83.6	Confident	65	Low	17 Å²	17	68.8 Å²	68.8	8%	0.084	36%	0.364	C	S	.	.	H	α-helix	trans	-72.3	-40.8	176.3	-72.5	-177.2	-76.5	0	0	113	I156 L167 I169 L187 P191 T192 A193 S194 K198 V199	I156-M196 HydrophobicContact CD1-CB 3.89Å; I156-M196 HydrophobicContact CD1-CE 3.46Å; I156-M196 VanDerWaalsContact CD1-CE 3.46Å; I156-M196 HydrophobicContact CD1-CG 4.39Å; I156-M196 HydrophobicContact CD1-SD 3.68Å; I156-M196 HydrophobicContact CG2-SD 3.94Å; L167-M196 HydrophobicContact CD1-SD 4.26Å; I169-M196 HydrophobicContact CD1-CB 4.1Å; I169-M196 HydrophobicContact CD1-CG 4.49Å; L187-M196 HydrophobicContact CD1-CG 3.6Å; L187-M196 HydrophobicContact CD1-SD 3.96Å; L187-M196 HydrophobicContact CD2-CG 3.8Å; L187-M196 HydrophobicContact CG-CG 4.37Å; P191-M196 HydrophobicContact CB-CE 4.09Å; P191-M196 HydrophobicContact CB-CG 4.2Å; P191-M196 HydrophobicContact CB-SD 3.97Å; P191-M196 WeakPolarHBondContact O-CE 3.28Å; T192-M196 PolarHBondContact O-N 2.96Å; A193-M196 PolarHBondContact O-N 2.72Å; S194-M196 VanDerWaalsContact C-N 3.28Å; S194-M196 PolarHBondContact O-N 2.76Å; M196-K198 PolarHBondContact O-N 3.1Å; M196-V199 CarbonylContact O-C 3.59Å; M196-V199 PolarHBondContact O-N 2.79Å
197	A	81.6	Confident	63.2	Low	2 Å²	2	70 Å²	70	2%	0.017	38%	0.384	C	S	.	.	H	α-helix	trans	-59.6	-37.2	170	0	0	0	0	0	111.5	L154 L171 A193 S194 V199 I223 F228	L154-A197 HydrophobicContact CD1-CB 4.17Å; L154-A197 HydrophobicContact CD2-CB 4.01Å; L171-A197 HydrophobicContact CD1-CB 4.07Å; A193-A197 WeakPolarHBondContact O-CB 3.38Å; A193-A197 PolarHBondContact O-N 3.2Å; S194-A197 PolarHBondContact O-N 2.81Å; A197-V199 PolarHBondContact O-N 2.85Å; A197-I223 HydrophobicContact CB-CD1 3.87Å; A197-F228 HydrophobicContact CB-CE1 4.02Å; A197-F228 HydrophobicContact CB-CE2 4.23Å; A197-F228 HydrophobicContact CB-CZ 3.57Å
198	K	78.6	Confident	61.5	Low	34 Å²	34	75.2 Å²	75.2	15%	0.148	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	12.8	172.4	-63.4	170.7	-174	-179.6	0	113	S194 R195 M196 L218 L219 I223 T225 D226	S194-K198 VanDerWaalsContact O-CB 3.25Å; S194-K198 WeakPolarHBondContact O-CB 3.18Å; S194-K198 WeakPolarHBondContact O-CG 3.44Å; S194-K198 PolarHBondContact O-N 2.97Å; S194-K198 WeakPolarHBondContact OG-CD 3.37Å; S194-K198 WeakPolarHBondContact OG-CE 3.25Å; S194-K198 PolarHBondContact OG-NZ 2.96Å; R195-K198 CarbonylContact O-C 3.54Å; R195-K198 PolarHBondContact O-N 2.84Å; M196-K198 PolarHBondContact O-N 3.1Å; K198-L218 HydrophobicContact CB-CB 4.33Å; K198-L218 HydrophobicContact CB-CD2 3.73Å; K198-L218 CarbonylContact O-C 3.54Å; K198-L218 WeakPolarHBondContact O-CA 3.48Å; K198-L218 WeakPolarHBondContact O-CB 3.04Å; K198-L218 WeakPolarHBondContact O-CD2 3.13Å; K198-L219 CarbonylContact C-O 3.57Å; K198-L219 VanDerWaalsContact C-O 3.27Å; K198-L219 VanDerWaalsContact CA-O 3.25Å; K198-L219 WeakPolarHBondContact CA-O 3.38Å; K198-L219 PolarHBondContact O-N 3.26Å; K198-I223 WeakPolarHBondContact CE-O 3.35Å; K198-I223 HydrophobicContact CG-CB 4.23Å; K198-I223 HydrophobicContact CG-CG2 4.47Å; K198-T225 PolarHBondContact NZ-O 2.59Å; K198-D226 IonicContact NZ-OD1 2.67Å; K198-D226 PolarHBondContact NZ-OD1 2.58Å; K198-D226 IonicContact NZ-OD2 3.06Å
199	V	67.8	Low	59.9	Low	5 Å²	5	79.5 Å²	79.5	3%	0.03	44%	0.441	C	S	.	.	S	Bend	trans	-138.8	59.9	173	-171.7	0	0	0	0	112.5	I182 L187 R195 M196 A197 L216 L218 L219	I182-V199 HydrophobicContact CD1-CB 4.21Å; I182-V199 HydrophobicContact CD1-CG1 3.66Å; L187-V199 HydrophobicContact CD2-CB 3.9Å; L187-V199 HydrophobicContact CD2-CG1 4.26Å; L187-V199 HydrophobicContact CD2-CG2 3.95Å; R195-V199 VanDerWaalsContact O-CG2 3.23Å; R195-V199 WeakPolarHBondContact O-CG2 3.11Å; R195-V199 PolarHBondContact O-N 3.11Å; R195-V199 VanDerWaalsContact O-N 3.12Å; M196-V199 CarbonylContact O-C 3.59Å; M196-V199 PolarHBondContact O-N 2.79Å; A197-V199 PolarHBondContact O-N 2.85Å; V199-L216 HydrophobicContact CG2-CD2 4.45Å; V199-L218 HydrophobicContact CG2-CD2 4.08Å; V199-L219 HydrophobicContact CB-CD1 4.23Å; V199-L219 HydrophobicContact CG1-CD1 3.71Å; V199-L219 HydrophobicContact CG1-CG 4.44Å
200	G	55.1	Low	58.2	Low	5 Å²	5	79 Å²	79	5%	0.052	44%	0.439	C	S	.	.	S	Bend	trans	-144.4	91.2	156.7	0	0	0	0	0	115.4	V178	V178-G200 WeakPolarHBondContact CG1-O 3.49Å
201	R	49.4	Very low	56.7	Low	149 Å²	149	84 Å²	84	56%	0.562	45%	0.448	S	S	*	.	S	Bend	trans	-176.2	-28.1	171.7	-129	175.1	-179.4	177.7	-0.7	119.7	L219	R201-L219 HydrophobicContact CB-CB 3.88Å; R201-L219 HydrophobicContact CB-CD2 4.27Å; R201-L219 VanDerWaalsContact N-CD1 3.3Å
202	N	41.4	Very low	54.5	Low	82 Å²	82	88.2 Å²	88.2	44%	0.439	47%	0.466	S	S	.	.			trans	-116.1	12.1	-172.6	-53.7	-24.9	0	0	0	114.5	V204 L219	N202-V204 PolarHBondContact O-N 3.03Å; N202-V204 VanDerWaalsContact O-N 3.13Å; N202-L219 HydrophobicContact CB-CD2 3.36Å; N202-L219 VanDerWaalsContact N-CD2 3.3Å; N202-L219 WeakPolarHBondContact ND2-CD2 3.17Å
203	A	42.7	Very low	52.2	Low	57 Å²	57	91 Å²	91	47%	0.471	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-61.7	-21.5	179.5	0	0	0	0	0	113.1	F205	A203-F205 VanDerWaalsContact C-N 3.3Å; A203-F205 PolarHBondContact O-N 2.89Å
204	V	37.5	Very low	49.6	Very low	118 Å²	118	94.8 Å²	94.8	72%	0.715	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-70.4	-16.1	-173.6	-176.2	0	0	0	0	114.1	N202	N202-V204 PolarHBondContact O-N 3.03Å; N202-V204 VanDerWaalsContact O-N 3.13Å
205	F	36.1	Very low	47.4	Very low	157 Å²	157	102.3 Å²	102.3	69%	0.689	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-104.4	27.5	-170.7	-124.5	-81.6	0	0	0	116.3	A203	A203-F205 VanDerWaalsContact C-N 3.3Å; A203-F205 PolarHBondContact O-N 2.89Å
206	K	32.6	Very low	45.4	Very low	180 Å²	180	101.2 Å²	101.2	78%	0.783	55%	0.547	S	S	*	.			trans	-119.3	56.2	174.9	-78.6	-167.9	174.1	-179.4	0	114.5
207	G	33.4	Very low	43.3	Very low	73 Å²	73	105.1 Å²	105.1	75%	0.753	57%	0.566	S	S	*	*			trans	-93.2	-0.4	166.6	0	0	0	0	0	115.5	P209	G207-P209 WeakPolarHBondContact O-CD 3.15Å
208	C	35.3	Very low	41.3	Very low	112 Å²	112	108.7 Å²	108.7	76%	0.757	58%	0.584	S	S	*	*			trans	-112.9	101.7	-171.4	-70.5	0	0	0	0	112.3	N210	C208-N210 PolarHBondContact O-N 3.49Å
209	P	36.2	Very low	39.9	Very low	124 Å²	124	107.5 Å²	107.5	81%	0.805	58%	0.579	S	S	*	*	S	Bend	trans	-82.8	54.6	-174.1	35.4	-37.8	0	0	0	112.9	G207	G207-P209 WeakPolarHBondContact O-CD 3.15Å
210	N	32.5	Very low	39.1	Very low	161 Å²	161	107.9 Å²	107.9	86%	0.861	58%	0.582	S	S	*	*			trans	-163	49.5	174.7	-110.4	-28.1	0	0	0	114.8	C208	C208-N210 PolarHBondContact O-N 3.49Å
211	R	35.1	Very low	39	Very low	241 Å²	241	114.1 Å²	114.1	91%	0.909	61%	0.61	S	S	*	*	S	Bend	trans	-138.8	152.2	162.5	-70.8	-164.7	-173.6	-169	4.8	112
212	L	29.7	Very low	39.9	Very low	149 Å²	149	111.6 Å²	111.6	78%	0.78	61%	0.607	S	S	*	*			trans	-52.2	152.5	-175.4	-137	59.5	0	0	0	113	S214	L212-S214 PolarHBondContact O-N 2.93Å
213	P	35.6	Very low	41.7	Very low	128 Å²	128	108 Å²	108	83%	0.831	59%	0.588	S	S	*	*			trans	-72.9	56.8	176	31.4	-38.4	0	0	0	113.3	Q215	P213-Q215 PolarHBondContact O-N 3.22Å
214	S	32	Very low	43.7	Very low	94 Å²	94	107.9 Å²	107.9	66%	0.657	58%	0.581	S	S	*	*			trans	-78.5	106.6	171	57.5	0	0	0	0	110.4	L212	L212-S214 PolarHBondContact O-N 2.93Å
215	Q	38.4	Very low	46.1	Very low	161 Å²	161	103.1 Å²	103.1	75%	0.752	55%	0.553	S	S	*	*			trans	57.8	122.2	153.3	-141.7	145.9	-20.4	0	0	118	P213 Q217	P213-Q215 PolarHBondContact O-N 3.22Å; Q215-Q217 PolarHBondContact O-N 3.45Å
216	L	39.1	Very low	48.5	Very low	77 Å²	77	101 Å²	101	40%	0.403	55%	0.548	S	S	.	.			trans	-71	82.7	163.4	-171.7	85.2	0	0	0	108	C186 V199 L218	C186-L216 VanDerWaalsContact O-CD2 3.22Å; C186-L216 WeakPolarHBondContact O-CD2 3.25Å; V199-L216 HydrophobicContact CG2-CD2 4.45Å; L216-L218 PolarHBondContact O-N 3.24Å
217	Q	39.5	Very low	51.2	Low	99 Å²	99	98.8 Å²	98.8	46%	0.463	54%	0.544	S	S	.	.			trans	-55.5	116.6	180	-165.3	89.8	41.6	0	0	108.4	Q215 L219 E221	Q215-Q217 PolarHBondContact O-N 3.45Å; Q217-L219 WeakPolarHBondContact O-CD2 3.39Å; Q217-L219 WeakPolarHBondContact O-CG 3.14Å; Q217-E221 PolarHBondContact NE2-OE1 3.47Å
218	L	39.8	Very low	54.1	Low	76 Å²	76	96.2 Å²	96.2	40%	0.398	51%	0.513	S	S	.	.			trans	-74.6	150.1	-179	-70.7	119.6	0	0	0	110.1	K198 V199 L216	K198-L218 HydrophobicContact CB-CB 4.33Å; K198-L218 HydrophobicContact CB-CD2 3.73Å; K198-L218 CarbonylContact O-C 3.54Å; K198-L218 WeakPolarHBondContact O-CA 3.48Å; K198-L218 WeakPolarHBondContact O-CB 3.04Å; K198-L218 WeakPolarHBondContact O-CD2 3.13Å; V199-L218 HydrophobicContact CG2-CD2 4.08Å; L216-L218 PolarHBondContact O-N 3.24Å
219	L	48.4	Very low	57	Low	9 Å²	9	91.5 Å²	91.5	5%	0.047	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	116.2	-151.7	-53.1	-175	0	0	0	107.4	K198 V199 R201 N202 Q217	K198-L219 CarbonylContact C-O 3.57Å; K198-L219 VanDerWaalsContact C-O 3.27Å; K198-L219 VanDerWaalsContact CA-O 3.25Å; K198-L219 WeakPolarHBondContact CA-O 3.38Å; K198-L219 PolarHBondContact O-N 3.26Å; V199-L219 HydrophobicContact CB-CD1 4.23Å; V199-L219 HydrophobicContact CG1-CD1 3.71Å; V199-L219 HydrophobicContact CG1-CG 4.44Å; R201-L219 HydrophobicContact CB-CB 3.88Å; R201-L219 HydrophobicContact CB-CD2 4.27Å; R201-L219 VanDerWaalsContact N-CD1 3.3Å; N202-L219 HydrophobicContact CB-CD2 3.36Å; N202-L219 VanDerWaalsContact N-CD2 3.3Å; N202-L219 WeakPolarHBondContact ND2-CD2 3.17Å; Q217-L219 WeakPolarHBondContact O-CD2 3.39Å; Q217-L219 WeakPolarHBondContact O-CG 3.14Å
220	C	51.7	Low	59.8	Low	14 Å²	14	87.5 Å²	87.5	10%	0.095	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	62.5	-149.6	-60.5	0	0	0	0	111.9	N222 I223	C220-N222 PolarHBondContact O-N 3.22Å; C220-I223 HydrophobicContact CB-CD1 3.89Å; C220-I223 HydrophobicContact CB-CG1 3.95Å; C220-I223 PolarHBondContact O-N 3.4Å
221	E	52.6	Low	62.8	Low	136 Å²	136	80.9 Å²	80.9	64%	0.636	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-6.7	161.5	-155.5	163.1	-103.6	0	0	113.9	Q217	Q217-E221 PolarHBondContact NE2-OE1 3.47Å
222	N	67.2	Low	65.5	Low	95 Å²	95	73.7 Å²	73.7	51%	0.508	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-17.5	175	-63.8	4.8	0	0	0	114.4	L149 C220 T224	L149-N222 HydrophobicContact CD1-CB 4.21Å; L149-N222 HydrophobicContact CD2-CB 4.2Å; C220-N222 PolarHBondContact O-N 3.22Å; N222-T224 PolarHBondContact O-N 3.3Å
223	I	80.1	Confident	68.4	Low	7 Å²	7	67 Å²	67	4%	0.036	36%	0.362	C	S	.	.			trans	-73.2	109	177.3	-60.6	172.9	0	0	0	108	D146 L149 L171 A197 K198 C220 T225 F228	D146-I223 WeakPolarHBondContact OD2-CA 3.38Å; L149-I223 HydrophobicContact CD1-CB 4.49Å; L149-I223 HydrophobicContact CD1-CG1 3.69Å; L171-I223 HydrophobicContact CD1-CD1 4.43Å; L171-I223 HydrophobicContact CD2-CD1 4.04Å; A197-I223 HydrophobicContact CB-CD1 3.87Å; K198-I223 WeakPolarHBondContact CE-O 3.35Å; K198-I223 HydrophobicContact CG-CB 4.23Å; K198-I223 HydrophobicContact CG-CG2 4.47Å; C220-I223 HydrophobicContact CB-CD1 3.89Å; C220-I223 HydrophobicContact CB-CG1 3.95Å; C220-I223 PolarHBondContact O-N 3.4Å; I223-T225 HydrophobicContact CG2-CG2 4.03Å; I223-F228 HydrophobicContact CG2-CE2 4.47Å; I223-F228 HydrophobicContact CG2-CZ 4.43Å
224	T	85.7	Confident	70.8	Confident	54 Å²	54	66.3 Å²	66.3	33%	0.331	36%	0.358	S	S	.	.			trans	-85.7	-31.7	175.5	55.1	0	0	0	0	112	D146 D147 K148 N222	D146-T224 PolarHBondContact OD2-N 3.23Å; D146-T224 PolarHBondContact OD2-OG1 2.77Å; D147-T224 PolarHBondContact OD2-OG1 2.96Å; K148-T224 HydrophobicContact CD-CG2 3.78Å; K148-T224 HydrophobicContact CG-CG2 4.34Å; N222-T224 PolarHBondContact O-N 3.3Å
225	T	87.5	Confident	73.7	Confident	19 Å²	19	68.2 Å²	68.2	12%	0.117	35%	0.354	C	S	.	.			trans	-71.1	140.5	-176.8	-166	0	0	0	0	112.8	A144 L145 D146 K198 I223 L227 F228	A144-T225 HydrophobicContact CB-CG2 3.84Å; L145-T225 WeakPolarHBondContact O-CB 3.44Å; L145-T225 PolarHBondContact O-OG1 3.44Å; D146-T225 HydrophobicContact CB-CG2 3.88Å; D146-T225 PolarHBondContact OD2-N 2.94Å; K198-T225 PolarHBondContact NZ-O 2.59Å; I223-T225 HydrophobicContact CG2-CG2 4.03Å; T225-L227 PolarHBondContact OG1-N 3.05Å; T225-F228 HydrophobicContact CG2-CE2 4.01Å; T225-F228 HydrophobicContact CG2-CZ 4.37Å
226	D	86.1	Confident	76.4	Confident	111 Å²	111	60.5 Å²	60.5	59%	0.594	32%	0.318	S	S	*	.			trans	-107.3	-11	168.2	-76.2	-53.5	0	0	0	112.5	S194 K198 F228	S194-D226 WeakPolarHBondContact CB-OD1 3.33Å; S194-D226 PolarHBondContact OG-OD1 2.78Å; K198-D226 IonicContact NZ-OD1 2.67Å; K198-D226 PolarHBondContact NZ-OD1 2.58Å; K198-D226 IonicContact NZ-OD2 3.06Å; D226-F228 PolarHBondContact O-N 3.27Å
227	L	90.2	Very high	79.1	Confident	134 Å²	134	58 Å²	58	70%	0.702	31%	0.307	S	S	*	.			trans	-90.5	92	-174.9	-176.2	61.1	0	0	0	111.6	A144 T225	A144-L227 WeakPolarHBondContact CB-O 3.33Å; T225-L227 PolarHBondContact OG1-N 3.05Å
228	F	93.4	Very high	81.8	Confident	20 Å²	20	57.6 Å²	57.6	9%	0.088	31%	0.305	C	S	.	.			trans	-101.5	114.2	173.5	-79.3	-99.9	0	0	0	110.6	F142 A144 V152 L154 A193 A197 I223 T225 D226	F142-F228 HydrophobicContact CB-CB 4.09Å; F142-F228 HydrophobicContact CB-CD1 3.97Å; F142-F228 HydrophobicContact CD1-CB 4.3Å; F142-F228 HydrophobicContact CG-CB 4.44Å; A144-F228 HydrophobicContact CB-CD1 3.79Å; A144-F228 HydrophobicContact CB-CD2 4.18Å; A144-F228 HydrophobicContact CB-CE1 3.83Å; A144-F228 HydrophobicContact CB-CE2 4.22Å; A144-F228 HydrophobicContact CB-CG 3.97Å; A144-F228 HydrophobicContact CB-CZ 4.04Å; V152-F228 HydrophobicContact CG1-CE1 3.94Å; V152-F228 HydrophobicContact CG1-CZ 4.21Å; L154-F228 HydrophobicContact CB-CD1 4.35Å; L154-F228 HydrophobicContact CB-CE1 4.14Å; L154-F228 HydrophobicContact CD2-CD1 4.01Å; L154-F228 HydrophobicContact CD2-CE1 4.04Å; A193-F228 HydrophobicContact CB-CB 3.69Å; A193-F228 HydrophobicContact CB-CG 4.09Å; A197-F228 HydrophobicContact CB-CE1 4.02Å; A197-F228 HydrophobicContact CB-CE2 4.23Å; A197-F228 HydrophobicContact CB-CZ 3.57Å; I223-F228 HydrophobicContact CG2-CE2 4.47Å; I223-F228 HydrophobicContact CG2-CZ 4.43Å; T225-F228 HydrophobicContact CG2-CE2 4.01Å; T225-F228 HydrophobicContact CG2-CZ 4.37Å; D226-F228 PolarHBondContact O-N 3.27Å
229	T	95.2	Very high	84.5	Confident	13 Å²	13	55.7 Å²	55.7	8%	0.08	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	130.9	175.4	-47.4	0	0	0	0	110.1	F142 Y143 L472	F142-T229 CarbonylContact C-O 3.23Å; F142-T229 WeakPolarHBondContact CA-O 3.28Å; Y143-T229 VanDerWaalsContact CD1-O 3.29Å; Y143-T229 WeakPolarHBondContact CD1-O 3.35Å; Y143-T229 HydrophobicContact CE1-CG2 3.87Å; Y143-T229 HydrophobicContact CE2-CG2 4.41Å; Y143-T229 PolarHBondContact N-O 3.42Å; Y143-T229 PolarHBondContact O-N 2.98Å; Y143-T229 WeakPolarHBondContact OH-CG2 3.16Å; T229-L472 HydrophobicContact CG2-CB 3.94Å; T229-L472 HydrophobicContact CG2-CD1 4.14Å
230	P	95.3	Very high	86.9	Confident	40 Å²	40	55.3 Å²	55.3	26%	0.26	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	144.6	175	29.4	-35.3	0	0	0	111.6	N141 F142 M232 N464	N141-P230 CarbonylContact O-C 3.48Å; N141-P230 WeakPolarHBondContact O-CA 3.44Å; F142-P230 HydrophobicContact CD1-CB 3.99Å; F142-P230 HydrophobicContact CE1-CB 3.98Å; P230-M232 HydrophobicContact CB-CG 4.42Å; P230-M232 HydrophobicContact CB-SD 3.82Å; P230-M232 HydrophobicContact CG-CG 4.19Å; P230-M232 HydrophobicContact CG-SD 3.81Å; P230-N464 PolarHBondContact O-ND2 3.41Å
231	V	95.5	Very high	88.9	Confident	22 Å²	22	55.4 Å²	55.4	13%	0.133	29%	0.292	C	S	.	.			trans	-81.9	112.7	170.7	-179.3	0	0	0	0	108.2	N141 Y143 F233 L460	N141-V231 HydrophobicContact CB-CB 3.87Å; N141-V231 HydrophobicContact CB-CG2 3.89Å; N141-V231 PolarHBondContact O-N 3.38Å; Y143-V231 HydrophobicContact CD1-CG2 3.68Å; Y143-V231 HydrophobicContact CE1-CG2 4.27Å; V231-F233 HydrophobicContact CG1-CD1 3.98Å; V231-F233 HydrophobicContact CG1-CE1 3.68Å; V231-F233 HydrophobicContact CG1-CZ 4.35Å; V231-L460 HydrophobicContact CG1-CD2 3.91Å; V231-L460 HydrophobicContact CG2-CD1 4.29Å; V231-L460 HydrophobicContact CG2-CD2 4.08Å
232	M	91.6	Very high	90.9	Very high	90 Å²	90	51.2 Å²	51.2	44%	0.443	28%	0.278	S	S	.	.			trans	-104.3	-9.7	-167.4	-64.4	-60.1	-66.1	0	0	114.6	P230 N464 Y468 L472	P230-M232 HydrophobicContact CB-CG 4.42Å; P230-M232 HydrophobicContact CB-SD 3.82Å; P230-M232 HydrophobicContact CG-CG 4.19Å; P230-M232 HydrophobicContact CG-SD 3.81Å; M232-N464 PolarHBondContact N-OD1 3.42Å; M232-Y468 HydrophobicContact CB-CD2 3.65Å; M232-Y468 HydrophobicContact CB-CE2 3.39Å; M232-Y468 HydrophobicContact CB-CG 4.41Å; M232-Y468 WeakPolarHBondContact O-CE2 3.27Å; M232-Y468 PolarHBondContact O-OH 2.79Å; M232-L472 HydrophobicContact CG-CD1 3.92Å
233	F	91.1	Very high	92.3	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.035	26%	0.256	C	S	.	.	S	Bend	trans	-101.3	145.5	-174.1	68.6	-81.7	0	0	0	112.8	V231 K235 G236 M239 L460 Q463 N464 H467	V231-F233 HydrophobicContact CG1-CD1 3.98Å; V231-F233 HydrophobicContact CG1-CE1 3.68Å; V231-F233 HydrophobicContact CG1-CZ 4.35Å; F233-K235 VanDerWaalsContact C-N 3.29Å; F233-K235 HydrophobicContact CD2-CB 4.1Å; F233-K235 HydrophobicContact CE2-CB 4.03Å; F233-K235 PolarHBondContact O-N 3.23Å; F233-G236 VanDerWaalsContact CE2-N 3.34Å; F233-G236 PolarHBondContact O-N 2.79Å; F233-M239 HydrophobicContact CE2-SD 3.71Å; F233-M239 HydrophobicContact CZ-CE 4.24Å; F233-M239 HydrophobicContact CZ-SD 3.68Å; F233-L460 HydrophobicContact CE1-CD2 4.06Å; F233-L460 HydrophobicContact CZ-CD2 3.85Å; F233-Q463 HydrophobicContact CD1-CB 3.68Å; F233-Q463 HydrophobicContact CD2-CB 3.95Å; F233-Q463 HydrophobicContact CD2-CG 4.41Å; F233-Q463 HydrophobicContact CE1-CB 3.35Å; F233-Q463 HydrophobicContact CE1-CG 4.29Å; F233-Q463 HydrophobicContact CE2-CB 3.63Å; F233-Q463 HydrophobicContact CE2-CG 3.82Å; F233-Q463 HydrophobicContact CG-CB 3.97Å; F233-Q463 HydrophobicContact CZ-CB 3.31Å; F233-Q463 HydrophobicContact CZ-CG 3.75Å; F233-N464 WeakPolarHBondContact CD1-OD1 3.31Å; F233-H467 HydrophobicContact CB-CB 4.48Å
234	P	86.5	Confident	92.9	Very high	114 Å²	114	47.1 Å²	47.1	74%	0.74	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-30	-168.4	-28.7	35.7	0	0	0	116.4	G236	P234-G236 VanDerWaalsContact C-N 3.33Å
235	K	92.8	Very high	93.2	Very high	133 Å²	133	46.3 Å²	46.3	58%	0.578	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.6	-178.1	-70.2	-178.4	177.1	173.9	0	114.3	F233 S237 E238 M239	F233-K235 VanDerWaalsContact C-N 3.29Å; F233-K235 HydrophobicContact CD2-CB 4.1Å; F233-K235 HydrophobicContact CE2-CB 4.03Å; F233-K235 PolarHBondContact O-N 3.23Å; K235-S237 VanDerWaalsContact C-N 3.31Å; K235-S237 PolarHBondContact O-N 2.93Å; K235-E238 PolarHBondContact O-N 2.92Å; K235-E238 VanDerWaalsContact O-N 3.1Å; K235-M239 PolarHBondContact O-N 3.5Å; K235-M239 VanDerWaalsContact O-N 3.1Å
236	G	95.4	Very high	93.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-54.5	-45.2	-179.7	0	0	0	0	0	112.9	F233 P234 E238 M239 I240	F233-G236 VanDerWaalsContact CE2-N 3.34Å; F233-G236 PolarHBondContact O-N 2.79Å; P234-G236 VanDerWaalsContact C-N 3.33Å; G236-E238 PolarHBondContact O-N 2.95Å; G236-M239 PolarHBondContact O-N 2.86Å; G236-I240 VanDerWaalsContact O-CG1 3.32Å; G236-I240 WeakPolarHBondContact O-CG1 3.44Å; G236-I240 PolarHBondContact O-N 3.45Å
237	S	96.5	Very high	92.9	Very high	23 Å²	23	46.1 Å²	46.1	16%	0.161	24%	0.243	C	C	.	.	H	α-helix	trans	-68.9	-31.8	178.6	-57.4	0	0	0	0	113.4	Y130 H139 N141 K235 M241	Y130-S237 WeakPolarHBondContact CE1-O 3.23Å; Y130-S237 WeakPolarHBondContact OH-CB 3.44Å; Y130-S237 PolarHBondContact OH-OG 3.16Å; H139-S237 PolarHBondContact CE1-OG 3.1Å; H139-S237 PolarHBondContact NE2-OG 2.96Å; N141-S237 PolarHBondContact ND2-OG 2.69Å; K235-S237 VanDerWaalsContact C-N 3.31Å; K235-S237 PolarHBondContact O-N 2.93Å; S237-M241 WeakPolarHBondContact O-CB 3.39Å; S237-M241 PolarHBondContact O-N 3.41Å
238	E	96.2	Very high	92.5	Very high	91 Å²	91	41.7 Å²	41.7	43%	0.425	22%	0.22	S	C	.	.	H	α-helix	trans	-66.3	-38.9	172.9	-66.1	-174.6	173.9	0	0	111.9	F135 K235 G236 S242	F135-E238 HydrophobicContact CE2-CG 4.03Å; F135-E238 HydrophobicContact CZ-CG 4.28Å; K235-E238 PolarHBondContact O-N 2.92Å; K235-E238 VanDerWaalsContact O-N 3.1Å; G236-E238 PolarHBondContact O-N 2.95Å; E238-S242 WeakPolarHBondContact O-CB 3.4Å; E238-S242 PolarHBondContact O-N 3.41Å; E238-S242 PolarHBondContact O-OG 3.06Å
239	M	96.2	Very high	92.1	Very high	37 Å²	37	42.9 Å²	42.9	18%	0.182	23%	0.229	C	C	.	.	H	α-helix	trans	-67.1	-46	176.9	-69.5	168.5	47.4	0	0	111.6	F233 K235 G236 S242 F243 L456 E459 L460	F233-M239 HydrophobicContact CE2-SD 3.71Å; F233-M239 HydrophobicContact CZ-CE 4.24Å; F233-M239 HydrophobicContact CZ-SD 3.68Å; K235-M239 PolarHBondContact O-N 3.5Å; K235-M239 VanDerWaalsContact O-N 3.1Å; G236-M239 PolarHBondContact O-N 2.86Å; M239-S242 WeakPolarHBondContact O-CB 3.47Å; M239-S242 PolarHBondContact O-N 2.87Å; M239-F243 PolarHBondContact O-N 3.24Å; M239-L456 HydrophobicContact CB-CD1 3.94Å; M239-L456 HydrophobicContact CE-CD1 4.06Å; M239-E459 HydrophobicContact CE-CB 3.74Å; M239-E459 HydrophobicContact CE-CG 3.43Å; M239-E459 VanDerWaalsContact CE-CG 3.43Å; M239-E459 HydrophobicContact SD-CG 4.16Å; M239-L460 HydrophobicContact CE-CD2 3.78Å; M239-L460 HydrophobicContact CE-CG 3.99Å
240	I	97.3	Very high	91.8	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.3	-43.3	177.6	-68.5	168.7	0	0	0	110.7	Y130 N141 V153 G236 F243 D244 L456 L460	Y130-I240 HydrophobicContact CD1-CG2 4.31Å; Y130-I240 HydrophobicContact CD2-CG2 4.23Å; Y130-I240 HydrophobicContact CE1-CB 4.2Å; Y130-I240 HydrophobicContact CE1-CG2 3.92Å; Y130-I240 HydrophobicContact CE2-CG2 3.84Å; Y130-I240 HydrophobicContact CG-CG2 4.42Å; N141-I240 HydrophobicContact CB-CD1 3.87Å; V153-I240 HydrophobicContact CG1-CD1 4Å; V153-I240 HydrophobicContact CG1-CG1 4.13Å; G236-I240 VanDerWaalsContact O-CG1 3.32Å; G236-I240 WeakPolarHBondContact O-CG1 3.44Å; G236-I240 PolarHBondContact O-N 3.45Å; I240-F243 WeakPolarHBondContact O-CB 3.29Å; I240-F243 PolarHBondContact O-N 3.45Å; I240-D244 PolarHBondContact O-N 3.13Å; I240-L456 HydrophobicContact CG1-CD1 4.48Å; I240-L460 HydrophobicContact CD1-CD1 4.45Å; I240-L460 HydrophobicContact CG1-CD1 4.34Å; I240-L460 HydrophobicContact CG1-CD2 4.45Å
241	M	95.4	Very high	91.7	Very high	17 Å²	17	46.2 Å²	46.2	8%	0.084	25%	0.246	C	C	.	.	H	α-helix	trans	-61.3	-44	172.8	-171.3	171.2	60.4	0	0	112.1	Y130 R131 F135 S237 F243 D244 E245	Y130-M241 HydrophobicContact CD1-CB 3.67Å; Y130-M241 HydrophobicContact CD1-CG 4.18Å; Y130-M241 HydrophobicContact CE1-CB 3.99Å; R131-M241 HydrophobicContact CB-CG 4.47Å; R131-M241 HydrophobicContact CB-SD 3.95Å; R131-M241 HydrophobicContact CG-SD 4.04Å; R131-M241 VanDerWaalsContact CZ-SD 3.55Å; F135-M241 HydrophobicContact CB-SD 4.06Å; F135-M241 HydrophobicContact CD1-CE 4.22Å; F135-M241 HydrophobicContact CD1-SD 4.02Å; F135-M241 HydrophobicContact CD2-CB 4.42Å; F135-M241 HydrophobicContact CD2-CE 3.82Å; F135-M241 HydrophobicContact CD2-SD 3.76Å; F135-M241 HydrophobicContact CE1-CE 4.03Å; F135-M241 HydrophobicContact CE1-SD 4.44Å; F135-M241 HydrophobicContact CE2-CE 3.63Å; F135-M241 HydrophobicContact CE2-SD 4.21Å; F135-M241 HydrophobicContact CG-CE 4.12Å; F135-M241 HydrophobicContact CG-SD 3.66Å; F135-M241 HydrophobicContact CZ-CE 3.74Å; S237-M241 WeakPolarHBondContact O-CB 3.39Å; S237-M241 PolarHBondContact O-N 3.41Å; M241-F243 PolarHBondContact O-N 3.03Å; M241-D244 PolarHBondContact O-N 3.18Å; M241-E245 HydrophobicContact CG-CG 4.49Å; M241-E245 WeakPolarHBondContact O-CB 3.37Å; M241-E245 WeakPolarHBondContact O-CG 3.38Å; M241-E245 PolarHBondContact O-N 2.94Å; M241-E245 VanDerWaalsContact O-N 3.07Å
242	S	94.5	Very high	91.8	Very high	48 Å²	48	45.2 Å²	45.2	34%	0.336	24%	0.241	S	C	.	.	H	α-helix	trans	-63.2	-28	177.2	-56.2	0	0	0	0	112.2	E238 M239 K491	E238-S242 WeakPolarHBondContact O-CB 3.4Å; E238-S242 PolarHBondContact O-N 3.41Å; E238-S242 PolarHBondContact O-OG 3.06Å; M239-S242 WeakPolarHBondContact O-CB 3.47Å; M239-S242 PolarHBondContact O-N 2.87Å; S242-K491 PolarHBondContact OG-NZ 2.96Å
243	F	95.4	Very high	92.1	Very high	11 Å²	11	43.8 Å²	43.8	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-75.8	-51.3	172.3	171	-91.6	0	0	0	112	R172 M239 I240 M241 E245 H246 R449 L452 I453 L456	R172-F243 HydrophobicContact CB-CE1 4.07Å; R172-F243 HydrophobicContact CG-CD1 4.12Å; R172-F243 HydrophobicContact CG-CE1 3.66Å; M239-F243 PolarHBondContact O-N 3.24Å; I240-F243 WeakPolarHBondContact O-CB 3.29Å; I240-F243 PolarHBondContact O-N 3.45Å; M241-F243 PolarHBondContact O-N 3.03Å; F243-E245 PolarHBondContact O-N 3.5Å; F243-H246 PolarHBondContact O-N 3.03Å; F243-H246 PolarHBondContact O-ND1 3.3Å; F243-R449 HydrophobicContact CZ-CG 4.17Å; F243-L452 HydrophobicContact CD2-CB 4.01Å; F243-L452 HydrophobicContact CE2-CB 3.85Å; F243-I453 HydrophobicContact CE2-CB 3.75Å; F243-I453 HydrophobicContact CE2-CG1 4.31Å; F243-I453 HydrophobicContact CZ-CB 3.83Å; F243-I453 HydrophobicContact CZ-CD1 4.27Å; F243-I453 HydrophobicContact CZ-CG1 4.09Å; F243-L456 HydrophobicContact CB-CD1 4.49Å; F243-L456 HydrophobicContact CB-CD2 3.76Å; F243-L456 HydrophobicContact CD1-CD2 4.04Å; F243-L456 HydrophobicContact CD2-CB 4.47Å; F243-L456 HydrophobicContact CD2-CD2 4.12Å; F243-L456 HydrophobicContact CG-CD2 3.69Å
244	D	93.6	Very high	92.5	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.027	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-33.6	-177.4	-70.8	-45.2	0	0	0	111.9	A127 Y130 M170 R172 I240 M241 H246	A127-D244 WeakPolarHBondContact CB-O 3.46Å; Y130-D244 WeakPolarHBondContact CB-OD2 2.9Å; M170-D244 HydrophobicContact CE-CB 4.41Å; M170-D244 WeakPolarHBondContact CE-OD2 3.43Å; R172-D244 WeakPolarHBondContact CG-OD1 3.41Å; R172-D244 IonicContact CZ-OD1 3.06Å; R172-D244 IonicContact CZ-OD2 3.33Å; R172-D244 VanDerWaalsContact CZ-OD2 3.29Å; R172-D244 IonicContact NE-OD1 3.74Å; R172-D244 PolarHBondContact NE-OD1 3.08Å; R172-D244 IonicContact NE-OD2 3.6Å; R172-D244 PolarHBondContact NE-OD2 2.86Å; R172-D244 VanDerWaalsContact NE-OD2 3.11Å; R172-D244 IonicContact NH2-OD1 2.77Å; R172-D244 IonicContact NH2-OD2 3.81Å; R172-D244 PolarHBondContact NH2-OD2 2.66Å; I240-D244 PolarHBondContact O-N 3.13Å; M241-D244 PolarHBondContact O-N 3.18Å; D244-H246 PolarHBondContact O-N 3.14Å
245	E	91.6	Very high	93.1	Very high	37 Å²	37	38 Å²	38	17%	0.173	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-84.6	0.3	-177.4	-65.4	-169.2	147.1	0	0	115.1	R131 M241 F243 M247 L248	R131-E245 WeakPolarHBondContact CD-OE1 3.46Å; R131-E245 IonicContact CZ-OE1 3.42Å; R131-E245 IonicContact CZ-OE2 3.54Å; R131-E245 IonicContact NE-OE1 2.77Å; R131-E245 PolarHBondContact NE-OE1 3.16Å; R131-E245 IonicContact NE-OE2 2.71Å; R131-E245 PolarHBondContact NE-OE2 3.02Å; R131-E245 IonicContact NH2-OE1 3.22Å; R131-E245 IonicContact NH2-OE2 2.68Å; R131-E245 PolarHBondContact NH2-OE2 2.91Å; M241-E245 HydrophobicContact CG-CG 4.49Å; M241-E245 WeakPolarHBondContact O-CB 3.37Å; M241-E245 WeakPolarHBondContact O-CG 3.38Å; M241-E245 PolarHBondContact O-N 2.94Å; M241-E245 VanDerWaalsContact O-N 3.07Å; F243-E245 PolarHBondContact O-N 3.5Å; E245-M247 PolarHBondContact O-N 3.11Å; E245-M247 VanDerWaalsContact O-N 3.13Å; E245-L248 HydrophobicContact CB-CD1 3.82Å; E245-L248 HydrophobicContact CB-CG 4.31Å; E245-L248 HydrophobicContact CG-CD1 3.69Å; E245-L248 WeakPolarHBondContact O-CB 3.42Å; E245-L248 PolarHBondContact O-N 2.82Å
246	H	87.6	Confident	93.4	Very high	45 Å²	45	31.6 Å²	31.6	21%	0.208	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-62	-22.9	-179.2	82.4	-84	0	0	0	114.2	F243 D244 L248 L452	F243-H246 PolarHBondContact O-N 3.03Å; F243-H246 PolarHBondContact O-ND1 3.3Å; D244-H246 PolarHBondContact O-N 3.14Å; H246-L248 VanDerWaalsContact C-N 3.34Å; H246-L452 HydrophobicContact CB-CD1 4.28Å; H246-L452 WeakPolarHBondContact CD2-CD1 3.31Å
247	M	79.6	Confident	93.5	Very high	81 Å²	81	31.6 Å²	31.6	40%	0.399	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-85.5	-1.8	177.4	-64.1	-61.9	-64.5	0	0	113.5	E245 V249 A445	E245-M247 PolarHBondContact O-N 3.11Å; E245-M247 VanDerWaalsContact O-N 3.13Å; M247-V249 PolarHBondContact O-N 3.1Å; M247-A445 HydrophobicContact CE-CB 4.24Å
248	L	82.8	Confident	93.6	Very high	41 Å²	41	30.5 Å²	30.5	22%	0.215	16%	0.16	C	C	.	.			trans	-82.6	80.9	-176.6	-64.7	-176.7	0	0	0	112.2	A127 K128 E245 H246 N250	A127-L248 HydrophobicContact CB-CD2 3.77Å; A127-L248 HydrophobicContact CB-CG 4.1Å; K128-L248 HydrophobicContact CD-CD1 4.32Å; K128-L248 HydrophobicContact CD-CD2 4.48Å; K128-L248 HydrophobicContact CG-CD1 3.61Å; K128-L248 HydrophobicContact CG-CD2 4.07Å; K128-L248 HydrophobicContact CG-CG 4.5Å; E245-L248 HydrophobicContact CB-CD1 3.82Å; E245-L248 HydrophobicContact CB-CG 4.31Å; E245-L248 HydrophobicContact CG-CD1 3.69Å; E245-L248 WeakPolarHBondContact O-CB 3.42Å; E245-L248 PolarHBondContact O-N 2.82Å; H246-L248 VanDerWaalsContact C-N 3.34Å; L248-N250 PolarHBondContact O-N 3.24Å
249	V	83.4	Confident	93.7	Very high	45 Å²	45	26.2 Å²	26.2	27%	0.273	14%	0.139	S	C	.	.			trans	-65.2	123.2	168.7	-175.5	0	0	0	0	109.9	M247 C251 Y252 R321	M247-V249 PolarHBondContact O-N 3.1Å; V249-C251 VanDerWaalsContact CG1-O 3.23Å; V249-C251 WeakPolarHBondContact CG1-O 3.38Å; V249-Y252 HydrophobicContact CB-CE2 4.49Å; V249-Y252 HydrophobicContact CG1-CD2 4.31Å; V249-Y252 HydrophobicContact CG1-CE1 4.22Å; V249-Y252 HydrophobicContact CG1-CE2 3.87Å; V249-Y252 PolarHBondContact O-OH 3.31Å; V249-R321 PolarHBondContact O-NH1 2.77Å
250	N	88.7	Confident	93.7	Very high	77 Å²	77	27.8 Å²	27.8	41%	0.412	15%	0.145	S	C	.	.			trans	-116.6	-5.4	169.7	-66.4	-28.7	0	0	0	112.4	L248 R321 E322	L248-N250 PolarHBondContact O-N 3.24Å; N250-R321 CarbonylContact O-C 3.22Å; N250-R321 WeakPolarHBondContact O-CA 3.38Å; N250-R321 WeakPolarHBondContact O-CB 3.47Å; N250-E322 PolarHBondContact O-N 3.31Å
251	C	95	Very high	93.6	Very high	45 Å²	45	33 Å²	33	30%	0.304	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118.8	-176.3	-54.6	0	0	0	0	108.8	V249 F298 E322	V249-C251 VanDerWaalsContact CG1-O 3.23Å; V249-C251 WeakPolarHBondContact CG1-O 3.38Å; C251-F298 HydrophobicContact CB-CB 4.28Å; C251-F298 HydrophobicContact CB-CD1 3.86Å; C251-F298 HydrophobicContact CB-CD2 3.55Å; C251-F298 HydrophobicContact CB-CE1 4.01Å; C251-F298 HydrophobicContact CB-CE2 3.72Å; C251-F298 HydrophobicContact CB-CG 3.62Å; C251-F298 HydrophobicContact CB-CZ 3.94Å; C251-E322 CarbonylContact C-O 3.54Å; C251-E322 WeakPolarHBondContact CA-O 3.34Å
252	Y	97.2	Very high	93.5	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	149.4	-171.6	-72	-96.7	0	0	0	111.7	V249 F254 F298 R321 E322 I323 M324 I429 E432 N433	V249-Y252 HydrophobicContact CB-CE2 4.49Å; V249-Y252 HydrophobicContact CG1-CD2 4.31Å; V249-Y252 HydrophobicContact CG1-CE1 4.22Å; V249-Y252 HydrophobicContact CG1-CE2 3.87Å; V249-Y252 PolarHBondContact O-OH 3.31Å; Y252-F254 HydrophobicContact CD1-CE1 4.15Å; Y252-F254 AromaticContact CD1-CZ 3.66Å; Y252-F254 HydrophobicContact CD1-CZ 3.66Å; Y252-F254 HydrophobicContact CG-CE2 4.46Å; Y252-F254 AromaticContact CG-CZ 3.97Å; Y252-F254 HydrophobicContact CG-CZ 3.97Å; Y252-F298 WeakPolarHBondContact O-CE1 3.24Å; Y252-R321 HydrophobicContact CD2-CB 4.38Å; Y252-R321 HydrophobicContact CE2-CB 4.49Å; Y252-R321 HydrophobicContact CE2-CG 4.34Å; Y252-R321 VanDerWaalsContact CE2-NH1 3.25Å; Y252-R321 PolarHBondContact OH-NH1 3.2Å; Y252-E322 PolarHBondContact N-O 3.07Å; Y252-I323 WeakPolarHBondContact O-CA 3.46Å; Y252-M324 PolarHBondContact O-N 3.48Å; Y252-I429 HydrophobicContact CD1-CG1 4.06Å; Y252-I429 HydrophobicContact CD2-CG1 4.18Å; Y252-I429 HydrophobicContact CE1-CB 4.36Å; Y252-I429 HydrophobicContact CE1-CG1 4.17Å; Y252-I429 HydrophobicContact CE1-CG2 4.02Å; Y252-I429 HydrophobicContact CE2-CG1 4.31Å; Y252-I429 HydrophobicContact CE2-CG2 4.36Å; Y252-I429 HydrophobicContact CG-CG1 4.06Å; Y252-E432 HydrophobicContact CD1-CB 4.35Å; Y252-E432 HydrophobicContact CD1-CG 4.47Å; Y252-E432 WeakPolarHBondContact CD1-OE1 3.26Å; Y252-E432 HydrophobicContact CE1-CB 4.2Å; Y252-E432 HydrophobicContact CE1-CG 4.37Å; Y252-E432 WeakPolarHBondContact CE1-OE1 3.21Å; Y252-N433 PolarHBondContact OH-OD1 3.26Å
253	K	98.1	Very high	93.5	Very high	59 Å²	59	32.2 Å²	32.2	26%	0.257	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	123.8	177	63	-171.9	-163.1	84.4	0	110.7	F298 G300 M324 N349 D350	K253-F298 HydrophobicContact CB-CE1 4.35Å; K253-G300 VanDerWaalsContact CD-O 3.31Å; K253-G300 WeakPolarHBondContact CD-O 3.33Å; K253-M324 WeakPolarHBondContact CA-O 3.49Å; K253-N349 PolarHBondContact NZ-O 2.88Å; K253-D350 WeakPolarHBondContact CG-OD1 3.47Å; K253-D350 IonicContact NZ-OD1 2.61Å; K253-D350 PolarHBondContact NZ-OD1 3.35Å
254	F	98.8	Very high	93.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130	-175.5	-56.9	-52.2	0	0	0	111.3	Y252 I323 M324 F325 H326 V352 L428 I429 E432	Y252-F254 HydrophobicContact CD1-CE1 4.15Å; Y252-F254 AromaticContact CD1-CZ 3.66Å; Y252-F254 HydrophobicContact CD1-CZ 3.66Å; Y252-F254 HydrophobicContact CG-CE2 4.46Å; Y252-F254 AromaticContact CG-CZ 3.97Å; Y252-F254 HydrophobicContact CG-CZ 3.97Å; F254-I323 HydrophobicContact CD2-CG2 3.54Å; F254-I323 HydrophobicContact CE2-CG2 3.69Å; F254-M324 PolarHBondContact N-O 2.98Å; F254-F325 HydrophobicContact CB-CD1 3.93Å; F254-F325 HydrophobicContact CB-CE1 4.03Å; F254-F325 AromaticContact CD2-CE1 3.93Å; F254-F325 HydrophobicContact CD2-CE1 3.93Å; F254-F325 HydrophobicContact CD2-CZ 4.44Å; F254-F325 HydrophobicContact CG-CE1 4.47Å; F254-F325 CarbonylContact O-C 3.52Å; F254-F325 WeakPolarHBondContact O-CA 3.34Å; F254-H326 PolarHBondContact O-N 3.06Å; F254-V352 HydrophobicContact CD1-CB 3.97Å; F254-V352 HydrophobicContact CE1-CB 4.24Å; F254-L428 HydrophobicContact CD1-CB 4.49Å; F254-L428 HydrophobicContact CD1-CD2 4.43Å; F254-L428 HydrophobicContact CD2-CB 4.02Å; F254-L428 HydrophobicContact CD2-CD1 3.95Å; F254-L428 HydrophobicContact CD2-CD2 4.49Å; F254-L428 HydrophobicContact CD2-CG 4.39Å; F254-L428 HydrophobicContact CE1-CB 4.14Å; F254-L428 HydrophobicContact CE2-CB 3.62Å; F254-L428 HydrophobicContact CE2-CD1 4.28Å; F254-L428 HydrophobicContact CE2-CG 4.46Å; F254-L428 HydrophobicContact CG-CB 4.44Å; F254-L428 HydrophobicContact CG-CD1 4.46Å; F254-L428 HydrophobicContact CG-CD2 4.27Å; F254-L428 HydrophobicContact CZ-CB 3.69Å; F254-I429 HydrophobicContact CE2-CG1 4.35Å; F254-I429 HydrophobicContact CZ-CG1 4.08Å; F254-E432 HydrophobicContact CE1-CB 4.28Å; F254-E432 WeakPolarHBondContact CE1-OE2 3.47Å
255	G	98.7	Very high	93.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	142.7	171.7	0	0	0	0	0	111	D350 V352 A353 L354	G255-D350 WeakPolarHBondContact CA-OD2 3.16Å; G255-D350 PolarHBondContact N-OD2 3.07Å; G255-V352 PolarHBondContact N-O 3.05Å; G255-A353 CarbonylContact O-C 3.23Å; G255-A353 WeakPolarHBondContact O-CA 3.4Å; G255-L354 PolarHBondContact O-N 2.73Å
256	V	98.8	Very high	93.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	111.4	168.6	-172.2	0	0	0	0	108.5	M279 L283 L286 F325 H326 V327 S328 L354	V256-M279 HydrophobicContact CG1-CE 3.67Å; V256-L283 HydrophobicContact CG1-CD2 4.38Å; V256-L286 HydrophobicContact CG2-CD1 4.15Å; V256-F325 HydrophobicContact CG2-CB 3.98Å; V256-F325 HydrophobicContact CG2-CD1 3.54Å; V256-F325 HydrophobicContact CG2-CE1 4.41Å; V256-F325 HydrophobicContact CG2-CG 4.1Å; V256-H326 PolarHBondContact N-O 3.45Å; V256-V327 HydrophobicContact CB-CB 4.49Å; V256-V327 HydrophobicContact CB-CG1 4.47Å; V256-V327 HydrophobicContact CB-CG2 4.21Å; V256-V327 HydrophobicContact CG2-CG2 4.34Å; V256-S328 PolarHBondContact O-N 3.1Å; V256-L354 CarbonylContact C-O 3.57Å; V256-L354 WeakPolarHBondContact CA-O 3.16Å; V256-L354 HydrophobicContact CG1-CD2 4.29Å
257	I	98.5	Very high	94.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.5	-173.3	-56	178.1	0	0	0	108.8	L269 F270 I347 A353 L354 F356 I368	I257-L269 HydrophobicContact CG2-CB 4Å; I257-L269 HydrophobicContact CG2-CD1 4.49Å; I257-L269 HydrophobicContact CG2-CD2 4.33Å; I257-F270 HydrophobicContact CD1-CE1 4.19Å; I257-F270 HydrophobicContact CD1-CZ 4.37Å; I257-F270 HydrophobicContact CG1-CE1 4.26Å; I257-I347 HydrophobicContact CD1-CG2 3.77Å; I257-I347 HydrophobicContact CG1-CD1 4.46Å; I257-I347 HydrophobicContact CG1-CG2 3.86Å; I257-A353 HydrophobicContact CD1-CB 4.23Å; I257-L354 PolarHBondContact N-O 2.89Å; I257-F356 PolarHBondContact O-N 3.31Å; I257-I368 HydrophobicContact CD1-CD1 3.41Å; I257-I368 VanDerWaalsContact CD1-CD1 3.41Å; I257-I368 HydrophobicContact CD1-CG1 4.47Å
258	Y	98.4	Very high	94.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	126.2	174.9	-168.5	-129.5	0	0	0	111.1	K260 N272 H275 G276 M279 S328 F356 E358	Y258-K260 HydrophobicContact CD1-CG 4.03Å; Y258-K260 HydrophobicContact CE1-CD 4.27Å; Y258-K260 HydrophobicContact CE1-CG 3.59Å; Y258-N272 HydrophobicContact CD1-CB 4.26Å; Y258-N272 PolarHBondContact O-ND2 3.04Å; Y258-H275 HydrophobicContact CD1-CB 3.98Å; Y258-H275 HydrophobicContact CD2-CB 4.18Å; Y258-H275 HydrophobicContact CE1-CB 3.88Å; Y258-H275 HydrophobicContact CE2-CB 4.07Å; Y258-H275 HydrophobicContact CG-CB 4.11Å; Y258-G276 WeakPolarHBondContact OH-CA 3.45Å; Y258-G276 PolarHBondContact OH-N 3.36Å; Y258-M279 HydrophobicContact CD2-CB 4.14Å; Y258-M279 HydrophobicContact CD2-CG 4.22Å; Y258-M279 HydrophobicContact CD2-SD 3.22Å; Y258-M279 WeakPolarHBondContact CD2-SD 3.45Å; Y258-M279 HydrophobicContact CE2-CB 3.77Å; Y258-M279 HydrophobicContact CE2-CG 4.36Å; Y258-M279 HydrophobicContact CE2-SD 3.84Å; Y258-M279 HydrophobicContact CG-SD 3.7Å; Y258-S328 PolarHBondContact N-OG 2.88Å; Y258-F356 AromaticContact CD2-CD1 3.95Å; Y258-F356 HydrophobicContact CD2-CD1 3.95Å; Y258-F356 AromaticContact CE2-CD1 3.86Å; Y258-F356 HydrophobicContact CE2-CD1 3.86Å; Y258-F356 HydrophobicContact CE2-CE1 4.27Å; Y258-E358 HydrophobicContact CE2-CB 4.05Å; Y258-E358 PolarHBondContact OH-OE1 2.89Å; Y258-E358 PolarHBondContact OH-OE2 3.2Å
259	Q	98.1	Very high	95.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	113.5	172.7	-175	176.6	24.5	0	0	109.4	Q263 L269 V355 F356 Q357 E358 T361 P362	Q259-Q263 HydrophobicContact CG-CB 4.34Å; Q259-Q263 PolarHBondContact NE2-O 3.31Å; Q259-L269 HydrophobicContact CB-CD2 3.61Å; Q259-L269 HydrophobicContact CG-CD2 3.69Å; Q259-V355 HydrophobicContact CB-CG1 4.21Å; Q259-F356 PolarHBondContact N-O 2.78Å; Q259-Q357 HydrophobicContact CB-CG 4.38Å; Q259-Q357 CarbonylContact O-C 3.47Å; Q259-Q357 WeakPolarHBondContact O-CA 3.3Å; Q259-E358 PolarHBondContact O-N 2.75Å; Q259-T361 HydrophobicContact CG-CG2 4.34Å; Q259-P362 PolarHBondContact NE2-O 3.47Å
260	K	96.6	Very high	96.2	Very high	71 Å²	71	30.7 Å²	30.7	31%	0.309	16%	0.16	S	C	.	.			trans	-79.1	165.2	168.1	-63.6	174	178.9	152.7	0	110.2	Y258 G262 Q263 N272	Y258-K260 HydrophobicContact CD1-CG 4.03Å; Y258-K260 HydrophobicContact CE1-CD 4.27Å; Y258-K260 HydrophobicContact CE1-CG 3.59Å; K260-G262 PolarHBondContact O-N 2.77Å; K260-Q263 HydrophobicContact CB-CG 4.05Å; K260-Q263 PolarHBondContact O-N 3.22Å; K260-N272 VanDerWaalsContact CD-OD1 3.28Å; K260-N272 WeakPolarHBondContact CD-OD1 3.48Å; K260-N272 WeakPolarHBondContact CE-OD1 3.38Å; K260-N272 PolarHBondContact NZ-OD1 2.92Å
261	F	94.7	Very high	96.6	Very high	110 Å²	110	28.2 Å²	28.2	48%	0.482	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	132.9	175.5	-176.8	-105.3	0	0	0	111.9	Y81 Q263 E359	Y81-F261 HydrophobicContact CD2-CE2 4.48Å; Y81-F261 AromaticContact CE2-CE2 3.82Å; Y81-F261 HydrophobicContact CE2-CE2 3.82Å; Y81-F261 HydrophobicContact CE2-CZ 4.23Å; F261-Q263 VanDerWaalsContact C-N 3.27Å; F261-Q263 PolarHBondContact O-N 3.21Å; F261-E359 HydrophobicContact CB-CB 4.36Å; F261-E359 HydrophobicContact CD2-CB 4.44Å
262	G	93.1	Very high	96.7	Very high	25 Å²	25	26.3 Å²	26.3	26%	0.258	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	-4.1	176.1	0	0	0	0	0	116.4	K260	K260-G262 PolarHBondContact O-N 2.77Å
263	Q	95.5	Very high	96.7	Very high	23 Å²	23	31.1 Å²	31.1	11%	0.107	16%	0.163	C	C	.	.			trans	-73.7	131.6	177.4	-65.5	-169.2	-56	0	0	111.7	Q259 K260 F261 E268 L269 N272	Q259-Q263 HydrophobicContact CG-CB 4.34Å; Q259-Q263 PolarHBondContact NE2-O 3.31Å; K260-Q263 HydrophobicContact CB-CG 4.05Å; K260-Q263 PolarHBondContact O-N 3.22Å; F261-Q263 VanDerWaalsContact C-N 3.27Å; F261-Q263 PolarHBondContact O-N 3.21Å; Q263-E268 WeakPolarHBondContact CA-OE2 3.47Å; Q263-E268 HydrophobicContact CB-CB 4.04Å; Q263-E268 HydrophobicContact CG-CB 4.08Å; Q263-E268 PolarHBondContact NE2-O 3.06Å; Q263-L269 HydrophobicContact CB-CD2 4.46Å; Q263-N272 PolarHBondContact NE2-OD1 2.8Å; Q263-N272 PolarHBondContact OE1-ND2 3Å
264	T	93.7	Very high	96.6	Very high	27 Å²	27	32 Å²	32	17%	0.166	18%	0.177	C	C	.	.			trans	-140.9	-8.3	-171	58.9	0	0	0	0	115.2	I71 L75 E268 M367	I71-T264 HydrophobicContact CB-CG2 4.39Å; I71-T264 HydrophobicContact CD1-CG2 3.59Å; I71-T264 HydrophobicContact CG1-CG2 3.71Å; I71-T264 HydrophobicContact CG2-CG2 3.85Å; L75-T264 HydrophobicContact CD1-CG2 3.71Å; T264-E268 PolarHBondContact N-OE2 2.78Å; T264-M367 VanDerWaalsContact O-SD 3.42Å
265	S	94.4	Very high	96.5	Very high	37 Å²	37	33.9 Å²	33.9	26%	0.259	19%	0.186	S	C	.	.	S	Bend	trans	-105.2	161.5	173.5	105.4	0	0	0	0	113.4	E267 E268 L269	S265-E267 VanDerWaalsContact C-N 3.34Å; S265-E267 VanDerWaalsContact CB-OE2 3.25Å; S265-E267 WeakPolarHBondContact CB-OE2 3.46Å; S265-E267 PolarHBondContact OG-N 2.89Å; S265-E267 PolarHBondContact OG-OE2 3.47Å; S265-E268 PolarHBondContact N-OE2 3.41Å; S265-E268 PolarHBondContact O-N 3.27Å; S265-E268 PolarHBondContact OG-N 3.22Å; S265-L269 WeakPolarHBondContact O-CG 3.31Å; S265-L269 PolarHBondContact O-N 2.88Å
266	E	95.3	Very high	96.4	Very high	15 Å²	15	34.9 Å²	34.9	7%	0.07	20%	0.196	C	C	.	.	H	α-helix	trans	-64.2	-41.2	177.3	-162.8	-175.2	67.2	0	0	111.7	E268 L269 F270 K344 M367 I368 A369	E266-E268 VanDerWaalsContact C-N 3.33Å; E266-E268 PolarHBondContact O-N 2.98Å; E266-L269 PolarHBondContact O-N 3.23Å; E266-F270 HydrophobicContact CG-CD2 3.71Å; E266-F270 HydrophobicContact CG-CE2 3.6Å; E266-F270 PolarHBondContact O-N 3.04Å; E266-K344 WeakPolarHBondContact OE1-CD 3.41Å; E266-K344 WeakPolarHBondContact OE1-CE 3.34Å; E266-K344 IonicContact OE1-NZ 3.84Å; E266-K344 PolarHBondContact OE1-NZ 3.42Å; E266-K344 WeakPolarHBondContact OE2-CE 3.45Å; E266-K344 IonicContact OE2-NZ 2.75Å; E266-K344 PolarHBondContact OE2-NZ 3.1Å; E266-M367 WeakPolarHBondContact CB-O 3.31Å; E266-I368 WeakPolarHBondContact OE2-CA 3.39Å; E266-A369 PolarHBondContact OE2-N 2.76Å
267	E	96	Very high	96.2	Very high	78 Å²	78	44 Å²	44	36%	0.364	24%	0.235	S	C	.	.	H	α-helix	trans	-62.9	-38.1	178.1	-56.2	79.7	-175.6	0	0	111.4	S265 G271 S338	S265-E267 VanDerWaalsContact C-N 3.34Å; S265-E267 VanDerWaalsContact CB-OE2 3.25Å; S265-E267 WeakPolarHBondContact CB-OE2 3.46Å; S265-E267 PolarHBondContact OG-N 2.89Å; S265-E267 PolarHBondContact OG-OE2 3.47Å; E267-G271 VanDerWaalsContact O-CA 3.24Å; E267-G271 WeakPolarHBondContact O-CA 3.45Å; E267-G271 PolarHBondContact O-N 2.78Å; E267-S338 VanDerWaalsContact CB-O 3.31Å; E267-S338 WeakPolarHBondContact CB-O 3.1Å; E267-S338 WeakPolarHBondContact CG-O 3.3Å
268	E	96.3	Very high	96	Very high	76 Å²	76	46.8 Å²	46.8	36%	0.355	25%	0.248	S	C	.	.	H	α-helix	trans	-66.1	-43.9	174.7	-68.8	-176.5	124.2	0	0	111.9	Q263 T264 S265 E266 N272	Q263-E268 WeakPolarHBondContact CA-OE2 3.47Å; Q263-E268 HydrophobicContact CB-CB 4.04Å; Q263-E268 HydrophobicContact CG-CB 4.08Å; Q263-E268 PolarHBondContact NE2-O 3.06Å; T264-E268 PolarHBondContact N-OE2 2.78Å; S265-E268 PolarHBondContact N-OE2 3.41Å; S265-E268 PolarHBondContact O-N 3.27Å; S265-E268 PolarHBondContact OG-N 3.22Å; E266-E268 VanDerWaalsContact C-N 3.33Å; E266-E268 PolarHBondContact O-N 2.98Å; E268-N272 PolarHBondContact O-ND2 2.68Å
269	L	97.1	Very high	95.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.5	-48.3	-178.8	-69	173.4	0	0	0	112.2	I257 Q259 Q263 S265 E266 N272 M367 I368	I257-L269 HydrophobicContact CG2-CB 4Å; I257-L269 HydrophobicContact CG2-CD1 4.49Å; I257-L269 HydrophobicContact CG2-CD2 4.33Å; Q259-L269 HydrophobicContact CB-CD2 3.61Å; Q259-L269 HydrophobicContact CG-CD2 3.69Å; Q263-L269 HydrophobicContact CB-CD2 4.46Å; S265-L269 WeakPolarHBondContact O-CG 3.31Å; S265-L269 PolarHBondContact O-N 2.88Å; E266-L269 PolarHBondContact O-N 3.23Å; L269-N272 PolarHBondContact O-ND2 2.96Å; L269-M367 HydrophobicContact CD1-CE 4.21Å; L269-I368 HydrophobicContact CD1-CD1 4.23Å; L269-I368 HydrophobicContact CD1-CG1 4.09Å
270	F	97.4	Very high	95.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-80.4	-24.3	177.9	-65.7	-49.4	0	0	0	113.3	I257 E266 N272 Q340 R343 K344 I347 I368	I257-F270 HydrophobicContact CD1-CE1 4.19Å; I257-F270 HydrophobicContact CD1-CZ 4.37Å; I257-F270 HydrophobicContact CG1-CE1 4.26Å; E266-F270 HydrophobicContact CG-CD2 3.71Å; E266-F270 HydrophobicContact CG-CE2 3.6Å; E266-F270 PolarHBondContact O-N 3.04Å; F270-N272 PolarHBondContact O-N 3.21Å; F270-Q340 HydrophobicContact CB-CB 3.85Å; F270-Q340 HydrophobicContact CB-CG 4.23Å; F270-R343 HydrophobicContact CD1-CB 4.35Å; F270-R343 VanDerWaalsContact O-CD 3.29Å; F270-R343 WeakPolarHBondContact O-CD 3.19Å; F270-R343 PolarHBondContact O-NH1 3.12Å; F270-K344 HydrophobicContact CD2-CB 4.33Å; F270-K344 HydrophobicContact CE2-CB 4.11Å; F270-K344 HydrophobicContact CE2-CD 4.39Å; F270-K344 HydrophobicContact CE2-CG 4.07Å; F270-I347 HydrophobicContact CD1-CD1 4.37Å; F270-I347 HydrophobicContact CE1-CB 4.05Å; F270-I347 HydrophobicContact CE1-CD1 3.85Å; F270-I347 HydrophobicContact CE1-CG2 3.9Å; F270-I347 HydrophobicContact CZ-CB 4.34Å; F270-I347 HydrophobicContact CZ-CG2 4.07Å; F270-I368 HydrophobicContact CE2-CG2 4.35Å; F270-I368 HydrophobicContact CZ-CG2 4.24Å
271	G	97.1	Very high	95.8	Very high	24 Å²	24	48.6 Å²	48.6	25%	0.247	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-6.6	176.5	0	0	0	0	0	115	E267 I273	E267-G271 VanDerWaalsContact O-CA 3.24Å; E267-G271 WeakPolarHBondContact O-CA 3.45Å; E267-G271 PolarHBondContact O-N 2.78Å; G271-I273 PolarHBondContact O-N 2.92Å
272	N	97.3	Very high	95.9	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.027	23%	0.234	C	C	.	.			trans	-63.3	99.5	176.3	-82.3	-45.4	0	0	0	112.4	Y258 K260 Q263 E268 L269 F270 S274 T329 R343	Y258-N272 HydrophobicContact CD1-CB 4.26Å; Y258-N272 PolarHBondContact O-ND2 3.04Å; K260-N272 VanDerWaalsContact CD-OD1 3.28Å; K260-N272 WeakPolarHBondContact CD-OD1 3.48Å; K260-N272 WeakPolarHBondContact CE-OD1 3.38Å; K260-N272 PolarHBondContact NZ-OD1 2.92Å; Q263-N272 PolarHBondContact NE2-OD1 2.8Å; Q263-N272 PolarHBondContact OE1-ND2 3Å; E268-N272 PolarHBondContact O-ND2 2.68Å; L269-N272 PolarHBondContact O-ND2 2.96Å; F270-N272 PolarHBondContact O-N 3.21Å; N272-S274 VanDerWaalsContact C-N 3.33Å; N272-S274 PolarHBondContact O-N 3.45Å; N272-T329 HydrophobicContact CB-CG2 4.23Å; N272-T329 WeakPolarHBondContact O-CG2 3.47Å; N272-R343 PolarHBondContact O-NH1 2.97Å
273	I	96.2	Very high	96.2	Very high	103 Å²	103	42.3 Å²	42.3	53%	0.528	22%	0.223	S	C	.	.			trans	-58.5	-43.3	179.5	-57.7	177.5	0	0	0	111.5	G271 Y333	G271-I273 PolarHBondContact O-N 2.92Å; I273-Y333 HydrophobicContact CD1-CD1 4.22Å; I273-Y333 HydrophobicContact CD1-CE1 3.98Å; I273-Y333 HydrophobicContact CD1-CE2 4.45Å; I273-Y333 HydrophobicContact CG1-CD1 4.06Å; I273-Y333 HydrophobicContact CG1-CD2 3.8Å; I273-Y333 HydrophobicContact CG1-CE1 4.12Å; I273-Y333 HydrophobicContact CG1-CE2 3.86Å; I273-Y333 HydrophobicContact CG1-CG 3.89Å
274	S	96.2	Very high	96.2	Very high	79 Å²	79	46.7 Å²	46.7	55%	0.552	24%	0.243	S	C	*	.			trans	-142	165.8	-179.5	61.2	0	0	0	0	112.4	N272	N272-S274 VanDerWaalsContact C-N 3.33Å; N272-S274 PolarHBondContact O-N 3.45Å
275	H	97.4	Very high	96.4	Very high	39 Å²	39	46 Å²	46	18%	0.181	24%	0.238	C	C	.	.			trans	-112.9	160.5	177.8	60.6	-101.4	0	0	0	113.2	Y258 M279 T329	Y258-H275 HydrophobicContact CD1-CB 3.98Å; Y258-H275 HydrophobicContact CD2-CB 4.18Å; Y258-H275 HydrophobicContact CE1-CB 3.88Å; Y258-H275 HydrophobicContact CE2-CB 4.07Å; Y258-H275 HydrophobicContact CG-CB 4.11Å; H275-M279 HydrophobicContact CB-CB 3.94Å; H275-M279 HydrophobicContact CB-CG 4.09Å; H275-M279 HydrophobicContact CB-SD 3.43Å; H275-M279 WeakPolarHBondContact CB-SD 3.48Å; H275-T329 HydrophobicContact CB-CG2 4.1Å; H275-T329 PolarHBondContact ND1-OG1 2.79Å
276	G	95.5	Very high	96.5	Very high	20 Å²	20	44.3 Å²	44.3	21%	0.206	23%	0.226	C	C	.	.			trans	-86.9	167.2	177.9	0	0	0	0	0	113.8	Y258 K278 M279 E280	Y258-G276 WeakPolarHBondContact OH-CA 3.45Å; Y258-G276 PolarHBondContact OH-N 3.36Å; G276-K278 PolarHBondContact O-N 2.71Å; G276-K278 VanDerWaalsContact O-N 3.08Å; G276-M279 PolarHBondContact O-N 3.38Å; G276-E280 PolarHBondContact O-N 2.76Å
277	K	95.2	Very high	96.7	Very high	191 Å²	191	43.8 Å²	43.8	83%	0.83	23%	0.225	S	C	*	.	H	α-helix	trans	-55	-31	-174.6	-64.6	-176.7	179.6	-178.8	0	114.5	M279 E280 E281	K277-M279 VanDerWaalsContact C-N 3.29Å; K277-M279 PolarHBondContact O-N 3.42Å; K277-E280 PolarHBondContact O-N 3.42Å; K277-E281 WeakPolarHBondContact O-CB 3.36Å; K277-E281 PolarHBondContact O-N 3.3Å
278	K	95	Very high	96.8	Very high	60 Å²	60	44.4 Å²	44.4	26%	0.261	23%	0.231	S	C	.	.	H	α-helix	trans	-62.8	-35.3	176.8	-58.1	177.7	-170	156.1	0	112.1	G276 F282 F356 E358 E359 P381	G276-K278 PolarHBondContact O-N 2.71Å; G276-K278 VanDerWaalsContact O-N 3.08Å; K278-F282 WeakPolarHBondContact O-CB 3.5Å; K278-F282 PolarHBondContact O-N 3.27Å; K278-F356 HydrophobicContact CB-CE1 4.13Å; K278-F356 HydrophobicContact CB-CZ 4.03Å; K278-F356 VanDerWaalsContact O-CZ 3.23Å; K278-F356 WeakPolarHBondContact O-CZ 3.17Å; K278-E358 HydrophobicContact CD-CG 4.21Å; K278-E358 VanDerWaalsContact CD-O 3.31Å; K278-E358 WeakPolarHBondContact CD-O 3.47Å; K278-E358 PolarHBondContact NZ-O 2.79Å; K278-E359 IonicContact NZ-OE1 3.09Å; K278-E359 PolarHBondContact NZ-OE1 3.44Å; K278-P381 HydrophobicContact CB-CG 4.35Å; K278-P381 HydrophobicContact CD-CG 3.87Å
279	M	96.8	Very high	96.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-78.4	-42.6	177.1	-177.9	173.9	-179.4	0	0	111.1	V256 Y258 H275 G276 K277 E281 F282 L283 V327 F356	V256-M279 HydrophobicContact CG1-CE 3.67Å; Y258-M279 HydrophobicContact CD2-CB 4.14Å; Y258-M279 HydrophobicContact CD2-CG 4.22Å; Y258-M279 HydrophobicContact CD2-SD 3.22Å; Y258-M279 WeakPolarHBondContact CD2-SD 3.45Å; Y258-M279 HydrophobicContact CE2-CB 3.77Å; Y258-M279 HydrophobicContact CE2-CG 4.36Å; Y258-M279 HydrophobicContact CE2-SD 3.84Å; Y258-M279 HydrophobicContact CG-SD 3.7Å; H275-M279 HydrophobicContact CB-CB 3.94Å; H275-M279 HydrophobicContact CB-CG 4.09Å; H275-M279 HydrophobicContact CB-SD 3.43Å; H275-M279 WeakPolarHBondContact CB-SD 3.48Å; G276-M279 PolarHBondContact O-N 3.38Å; K277-M279 VanDerWaalsContact C-N 3.29Å; K277-M279 PolarHBondContact O-N 3.42Å; M279-E281 VanDerWaalsContact C-N 3.33Å; M279-E281 PolarHBondContact O-N 2.68Å; M279-F282 CarbonylContact O-C 3.54Å; M279-F282 WeakPolarHBondContact O-CA 3.27Å; M279-F282 WeakPolarHBondContact O-CB 3.34Å; M279-F282 PolarHBondContact O-N 2.88Å; M279-L283 HydrophobicContact CE-CD1 4.42Å; M279-L283 HydrophobicContact CE-CD2 4.04Å; M279-L283 HydrophobicContact CE-CG 4.44Å; M279-L283 HydrophobicContact CG-CG 4.26Å; M279-L283 WeakPolarHBondContact O-CG 3.46Å; M279-L283 PolarHBondContact O-N 2.84Å; M279-V327 HydrophobicContact CE-CG1 3.65Å; M279-F356 HydrophobicContact CB-CD1 3.65Å; M279-F356 HydrophobicContact CB-CE1 3.69Å; M279-F356 HydrophobicContact CB-CG 4.34Å; M279-F356 HydrophobicContact CB-CZ 4.39Å; M279-F356 HydrophobicContact CG-CD1 3.93Å; M279-F356 HydrophobicContact CG-CE1 4.41Å; M279-F356 HydrophobicContact CG-CG 4.18Å; M279-F356 HydrophobicContact SD-CD1 4.45Å
280	E	96.9	Very high	96.9	Very high	56 Å²	56	47.4 Å²	47.4	26%	0.262	24%	0.242	S	C	.	.	H	α-helix	trans	-53.8	-50.6	174.2	179.5	66.5	-88.1	0	0	110.5	G276 K277 F282 L283 E284 R289	G276-E280 PolarHBondContact O-N 2.76Å; K277-E280 PolarHBondContact O-N 3.42Å; E280-F282 PolarHBondContact O-N 3.2Å; E280-F282 VanDerWaalsContact O-N 3.14Å; E280-L283 PolarHBondContact O-N 2.71Å; E280-L283 VanDerWaalsContact O-N 3.1Å; E280-E284 PolarHBondContact O-N 2.97Å; E280-R289 VanDerWaalsContact CD-NH2 3.27Å; E280-R289 IonicContact OE1-CZ 3.87Å; E280-R289 IonicContact OE1-NH1 3.08Å; E280-R289 PolarHBondContact OE1-NH1 2.84Å; E280-R289 IonicContact OE1-NH2 3.21Å; E280-R289 PolarHBondContact OE1-NH2 2.84Å; E280-R289 VanDerWaalsContact OE1-NH2 3.08Å; E280-R289 IonicContact OE2-CZ 3.65Å; E280-R289 VanDerWaalsContact OE2-CZ 3.31Å; E280-R289 IonicContact OE2-NH1 2.88Å; E280-R289 PolarHBondContact OE2-NH1 2.94Å; E280-R289 IonicContact OE2-NH2 3.31Å; E280-R289 PolarHBondContact OE2-NH2 2.84Å
281	E	95.1	Very high	97	Very high	52 Å²	52	54.8 Å²	54.8	24%	0.243	27%	0.274	C	S	.	.	H	α-helix	trans	-55.3	-32.6	174	-170	-173.4	-171.3	0	0	113.3	K277 M279 I285 T389 K416	K277-E281 WeakPolarHBondContact O-CB 3.36Å; K277-E281 PolarHBondContact O-N 3.3Å; M279-E281 VanDerWaalsContact C-N 3.33Å; M279-E281 PolarHBondContact O-N 2.68Å; E281-I285 WeakPolarHBondContact O-CG1 3.34Å; E281-T389 PolarHBondContact OE1-OG1 3.2Å; E281-T389 PolarHBondContact OE2-OG1 3.32Å; E281-K416 HydrophobicContact CG-CD 4.26Å; E281-K416 WeakPolarHBondContact OE1-CD 3.37Å; E281-K416 WeakPolarHBondContact OE1-CE 3.22Å; E281-K416 IonicContact OE1-NZ 2.69Å; E281-K416 PolarHBondContact OE1-NZ 3.12Å
282	F	97.1	Very high	97	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-83.6	-30.1	179.9	168.5	-95.3	0	0	0	113.1	K278 M279 E280 E284 I285 L286 L354 F356 V379 Y391 F420 L424	K278-F282 WeakPolarHBondContact O-CB 3.5Å; K278-F282 PolarHBondContact O-N 3.27Å; M279-F282 CarbonylContact O-C 3.54Å; M279-F282 WeakPolarHBondContact O-CA 3.27Å; M279-F282 WeakPolarHBondContact O-CB 3.34Å; M279-F282 PolarHBondContact O-N 2.88Å; E280-F282 PolarHBondContact O-N 3.2Å; E280-F282 VanDerWaalsContact O-N 3.14Å; F282-E284 VanDerWaalsContact C-N 3.31Å; F282-E284 PolarHBondContact O-N 2.85Å; F282-I285 HydrophobicContact CD2-CD1 4.39Å; F282-I285 WeakPolarHBondContact O-CA 3.25Å; F282-I285 WeakPolarHBondContact O-CB 3.34Å; F282-I285 PolarHBondContact O-N 2.77Å; F282-L286 HydrophobicContact CD1-CD1 4.38Å; F282-L286 HydrophobicContact CE1-CD1 3.63Å; F282-L286 HydrophobicContact CE1-CD2 4.4Å; F282-L286 HydrophobicContact CE1-CG 3.9Å; F282-L286 HydrophobicContact CZ-CD1 4.05Å; F282-L286 HydrophobicContact CZ-CD2 3.97Å; F282-L286 HydrophobicContact CZ-CG 3.93Å; F282-L286 PolarHBondContact O-N 3.24Å; F282-L286 VanDerWaalsContact O-N 3.17Å; F282-L354 HydrophobicContact CE1-CD1 4.37Å; F282-L354 HydrophobicContact CE1-CD2 3.59Å; F282-L354 HydrophobicContact CZ-CD1 3.79Å; F282-L354 HydrophobicContact CZ-CD2 3.62Å; F282-L354 HydrophobicContact CZ-CG 4.38Å; F282-F356 HydrophobicContact CB-CD2 3.95Å; F282-F356 HydrophobicContact CB-CE2 3.45Å; F282-F356 VanDerWaalsContact CB-CE2 3.45Å; F282-F356 HydrophobicContact CB-CZ 4.12Å; F282-F356 HydrophobicContact CD1-CB 4.49Å; F282-F356 AromaticContact CD1-CD2 3.3Å; F282-F356 HydrophobicContact CD1-CD2 3.3Å; F282-F356 AromaticContact CD1-CE2 3.76Å; F282-F356 HydrophobicContact CD1-CE2 3.76Å; F282-F356 HydrophobicContact CD1-CG 4.09Å; F282-F356 HydrophobicContact CD2-CD2 4.06Å; F282-F356 AromaticContact CD2-CE2 3.94Å; F282-F356 HydrophobicContact CD2-CE2 3.94Å; F282-F356 HydrophobicContact CE1-CB 4.48Å; F282-F356 AromaticContact CE1-CD2 3.74Å; F282-F356 HydrophobicContact CE1-CD2 3.74Å; F282-F356 HydrophobicContact CE1-CG 4.48Å; F282-F356 HydrophobicContact CE2-CD2 4.44Å; F282-F356 AromaticContact CG-CD2 3.48Å; F282-F356 HydrophobicContact CG-CD2 3.48Å; F282-F356 VanDerWaalsContact CG-CD2 3.48Å; F282-F356 AromaticContact CG-CE2 3.42Å; F282-F356 HydrophobicContact CG-CE2 3.42Å; F282-F356 VanDerWaalsContact CG-CE2 3.42Å; F282-F356 HydrophobicContact CG-CZ 4.5Å; F282-F356 HydrophobicContact CZ-CD2 4.29Å; F282-V379 HydrophobicContact CD2-CG1 4.29Å; F282-V379 HydrophobicContact CE2-CB 4.43Å; F282-V379 HydrophobicContact CE2-CG1 3.85Å; F282-V379 HydrophobicContact CE2-CG2 4.36Å; F282-V379 HydrophobicContact CZ-CB 4.44Å; F282-V379 HydrophobicContact CZ-CG1 4.35Å; F282-V379 HydrophobicContact CZ-CG2 4.23Å; F282-Y391 HydrophobicContact CB-CE1 4.19Å; F282-Y391 HydrophobicContact CD2-CD1 4.32Å; F282-Y391 AromaticContact CD2-CE1 3.97Å; F282-Y391 HydrophobicContact CD2-CE1 3.97Å; F282-Y391 HydrophobicContact CG-CE1 4.46Å; F282-F420 HydrophobicContact CD2-CE1 4.24Å; F282-F420 AromaticContact CE2-CE1 3.97Å; F282-F420 HydrophobicContact CE2-CE1 3.97Å; F282-F420 HydrophobicContact CE2-CZ 4.11Å; F282-L424 HydrophobicContact CE2-CD2 3.81Å; F282-L424 HydrophobicContact CZ-CD2 3.87Å
283	L	98.3	Very high	97.1	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-38.3	173.2	-70	-176.9	0	0	0	111.1	V256 M279 E280 I285 L286 G287 V314 V327	V256-L283 HydrophobicContact CG1-CD2 4.38Å; M279-L283 HydrophobicContact CE-CD1 4.42Å; M279-L283 HydrophobicContact CE-CD2 4.04Å; M279-L283 HydrophobicContact CE-CG 4.44Å; M279-L283 HydrophobicContact CG-CG 4.26Å; M279-L283 WeakPolarHBondContact O-CG 3.46Å; M279-L283 PolarHBondContact O-N 2.84Å; E280-L283 PolarHBondContact O-N 2.71Å; E280-L283 VanDerWaalsContact O-N 3.1Å; L283-I285 PolarHBondContact O-N 3.17Å; L283-L286 HydrophobicContact CD2-CD1 4.22Å; L283-L286 PolarHBondContact O-N 2.88Å; L283-L286 VanDerWaalsContact O-N 3.09Å; L283-G287 PolarHBondContact O-N 2.77Å; L283-V314 HydrophobicContact CB-CG2 4.04Å; L283-V314 HydrophobicContact CD1-CG2 4.2Å; L283-V314 HydrophobicContact CD2-CG2 4.16Å; L283-V314 HydrophobicContact CG-CG2 4.34Å; L283-V327 HydrophobicContact CD1-CG1 4.17Å; L283-V327 HydrophobicContact CD2-CG1 4.28Å; L283-V327 HydrophobicContact CD2-CG2 4.18Å
284	E	96.9	Very high	97.1	Very high	116 Å²	116	58.9 Å²	58.9	54%	0.542	29%	0.291	S	S	.	.	H	α-helix	trans	-55.3	-35.2	169.4	-60.5	176.1	157.3	0	0	112.6	E280 F282 K416 R421	E280-E284 PolarHBondContact O-N 2.97Å; F282-E284 VanDerWaalsContact C-N 3.31Å; F282-E284 PolarHBondContact O-N 2.85Å; E284-K416 IonicContact OE2-NZ 3.29Å; E284-R421 PolarHBondContact O-NH1 2.89Å; E284-R421 VanDerWaalsContact O-NH1 3.08Å
285	I	96.5	Very high	97.2	Very high	12 Å²	12	57 Å²	57	6%	0.062	27%	0.273	C	S	.	.	H	α-helix	trans	-72.7	-36.8	178.4	-56	169.3	0	0	0	110.4	E281 F282 L283 Y391 K416 F420 R421	E281-I285 WeakPolarHBondContact O-CG1 3.34Å; F282-I285 HydrophobicContact CD2-CD1 4.39Å; F282-I285 WeakPolarHBondContact O-CA 3.25Å; F282-I285 WeakPolarHBondContact O-CB 3.34Å; F282-I285 PolarHBondContact O-N 2.77Å; L283-I285 PolarHBondContact O-N 3.17Å; I285-Y391 HydrophobicContact CD1-CD2 4.37Å; I285-Y391 HydrophobicContact CD1-CE2 3.38Å; I285-Y391 WeakPolarHBondContact CD1-OH 3.42Å; I285-K416 HydrophobicContact CD1-CB 4.45Å; I285-K416 HydrophobicContact CD1-CD 4.07Å; I285-K416 HydrophobicContact CD1-CG 3.72Å; I285-K416 HydrophobicContact CG1-CG 4.23Å; I285-F420 HydrophobicContact CD1-CD1 4.43Å; I285-F420 HydrophobicContact CG2-CD1 4.01Å; I285-F420 HydrophobicContact CG2-CE1 4.46Å; I285-R421 HydrophobicContact CG2-CB 4.05Å; I285-R421 WeakPolarHBondContact O-CD 3.23Å; I285-R421 WeakPolarHBondContact O-CG 3.23Å; I285-R421 PolarHBondContact O-NE 2.78Å; I285-R421 PolarHBondContact O-NH1 2.99Å
286	L	97.9	Very high	97.1	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-70.2	-46.6	178.7	-71.7	-178.3	0	0	0	113	V256 F282 L283 V314 F325 L354 L424 L425	V256-L286 HydrophobicContact CG2-CD1 4.15Å; F282-L286 HydrophobicContact CD1-CD1 4.38Å; F282-L286 HydrophobicContact CE1-CD1 3.63Å; F282-L286 HydrophobicContact CE1-CD2 4.4Å; F282-L286 HydrophobicContact CE1-CG 3.9Å; F282-L286 HydrophobicContact CZ-CD1 4.05Å; F282-L286 HydrophobicContact CZ-CD2 3.97Å; F282-L286 HydrophobicContact CZ-CG 3.93Å; F282-L286 PolarHBondContact O-N 3.24Å; F282-L286 VanDerWaalsContact O-N 3.17Å; L283-L286 HydrophobicContact CD2-CD1 4.22Å; L283-L286 PolarHBondContact O-N 2.88Å; L283-L286 VanDerWaalsContact O-N 3.09Å; L286-V314 HydrophobicContact CB-CG1 4.36Å; L286-F325 HydrophobicContact CB-CE2 4Å; L286-F325 HydrophobicContact CB-CZ 4.05Å; L286-F325 HydrophobicContact CD1-CD1 4.24Å; L286-F325 HydrophobicContact CD1-CE1 4.05Å; L286-F325 HydrophobicContact CD1-CZ 4.26Å; L286-F325 HydrophobicContact CD2-CE1 4.31Å; L286-F325 HydrophobicContact CD2-CZ 4.1Å; L286-F325 HydrophobicContact CG-CZ 4.38Å; L286-L354 HydrophobicContact CD2-CD1 4.23Å; L286-L424 HydrophobicContact CD2-CD2 3.64Å; L286-L424 HydrophobicContact CD2-CG 4.26Å; L286-L425 HydrophobicContact CD2-CD2 4.43Å
287	G	97.9	Very high	97.1	Very high	5 Å²	5	62.5 Å²	62.5	5%	0.052	30%	0.298	C	S	.	.			trans	-169.3	-173	-167.4	0	0	0	0	0	114.5	L283 Y315	L283-G287 PolarHBondContact O-N 2.77Å; G287-Y315 WeakPolarHBondContact CA-O 3.37Å
288	D	98.2	Very high	97.2	Very high	91 Å²	91	56.1 Å²	56.1	49%	0.487	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	134.4	178.7	-49.5	-82.3	0	0	0	108.1	V290 Y315 T316 R421	D288-V290 PolarHBondContact O-N 2.91Å; D288-Y315 PolarHBondContact N-O 2.82Å; D288-Y315 PolarHBondContact O-N 2.85Å; D288-T316 PolarHBondContact OD2-OG1 3.05Å; D288-R421 IonicContact OD2-NH2 2.79Å
289	R	98.3	Very high	97.3	Very high	112 Å²	112	59.2 Å²	59.2	42%	0.423	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	121	176.2	-173.7	145.6	62	-161.4	-0.9	109.9	E280 E312 S313	E280-R289 VanDerWaalsContact CD-NH2 3.27Å; E280-R289 IonicContact OE1-CZ 3.87Å; E280-R289 IonicContact OE1-NH1 3.08Å; E280-R289 PolarHBondContact OE1-NH1 2.84Å; E280-R289 IonicContact OE1-NH2 3.21Å; E280-R289 PolarHBondContact OE1-NH2 2.84Å; E280-R289 VanDerWaalsContact OE1-NH2 3.08Å; E280-R289 IonicContact OE2-CZ 3.65Å; E280-R289 VanDerWaalsContact OE2-CZ 3.31Å; E280-R289 IonicContact OE2-NH1 2.88Å; E280-R289 PolarHBondContact OE2-NH1 2.94Å; E280-R289 IonicContact OE2-NH2 3.31Å; E280-R289 PolarHBondContact OE2-NH2 2.84Å; R289-E312 WeakPolarHBondContact CD-OE1 3.32Å; R289-E312 WeakPolarHBondContact CD-OE2 3.35Å; R289-E312 HydrophobicContact CG-CB 4.38Å; R289-E312 IonicContact NE-OE1 3.17Å; R289-E312 IonicContact NE-OE2 3.81Å; R289-S313 WeakPolarHBondContact CA-O 3.38Å
290	V	98.3	Very high	97.3	Very high	26 Å²	26	59.7 Å²	59.7	16%	0.158	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	138.7	-173.6	-62.4	0	0	0	0	110.6	D288 F295 E312 S313 Y315 M324	D288-V290 PolarHBondContact O-N 2.91Å; V290-F295 HydrophobicContact CB-CD2 4.08Å; V290-F295 HydrophobicContact CB-CE2 3.84Å; V290-F295 HydrophobicContact CG1-CE2 3.92Å; V290-F295 HydrophobicContact CG2-CD2 4.13Å; V290-F295 HydrophobicContact CG2-CE2 3.84Å; V290-F295 HydrophobicContact CG2-CZ 4.26Å; V290-E312 CarbonylContact O-C 3.49Å; V290-E312 WeakPolarHBondContact O-CA 3.46Å; V290-E312 WeakPolarHBondContact O-CB 3.32Å; V290-S313 PolarHBondContact N-O 3.14Å; V290-S313 PolarHBondContact O-N 3.23Å; V290-Y315 HydrophobicContact CG1-CD1 4.45Å; V290-M324 HydrophobicContact CG2-CE 4.48Å
291	K	98.4	Very high	97.3	Very high	156 Å²	156	59.1 Å²	59.1	68%	0.678	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	137.1	167.4	-64.4	-165.5	174.8	-160.5	0	109.4	E311	K291-E311 CarbonylContact C-O 3.59Å; K291-E311 WeakPolarHBondContact CA-O 3.34Å
292	L	98.3	Very high	97.4	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	28%	0.283	C	S	.	.	S	Bend	trans	-79.4	-37.5	-180	-64.7	177.2	0	0	0	111.7	D294 F295 L302 T304 E311 M324	L292-D294 PolarHBondContact O-N 3Å; L292-F295 VanDerWaalsContact O-CB 3.26Å; L292-F295 WeakPolarHBondContact O-CB 3.47Å; L292-F295 PolarHBondContact O-N 3.45Å; L292-L302 HydrophobicContact CD1-CB 4.28Å; L292-L302 HydrophobicContact CD1-CD1 3.98Å; L292-L302 HydrophobicContact CD2-CB 4.28Å; L292-L302 HydrophobicContact CD2-CD1 3.65Å; L292-L302 HydrophobicContact CG-CD1 4.5Å; L292-T304 WeakPolarHBondContact O-CA 3.26Å; L292-T304 WeakPolarHBondContact O-CB 3.46Å; L292-T304 WeakPolarHBondContact O-CG2 3.29Å; L292-E311 PolarHBondContact N-O 3.35Å; L292-M324 HydrophobicContact CD2-CE 4.26Å
293	L	98	Very high	97.5	Very high	110 Å²	110	57.6 Å²	57.6	58%	0.576	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	126.2	174.4	-178.2	64	0	0	0	110.3	F295	L293-F295 PolarHBondContact O-N 2.97Å; L293-F295 VanDerWaalsContact O-N 3.17Å
294	D	97.1	Very high	97.4	Very high	106 Å²	106	58.4 Å²	58.4	57%	0.567	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	13.1	-177	-101.3	-56.7	0	0	0	115.6	L292 K296 T304	L292-D294 PolarHBondContact O-N 3Å; D294-K296 WeakPolarHBondContact O-CD 3.29Å; D294-K296 WeakPolarHBondContact O-CE 3.36Å; D294-K296 WeakPolarHBondContact O-CG 3.38Å; D294-K296 PolarHBondContact O-NZ 2.69Å; D294-K296 IonicContact OD1-NZ 2.65Å; D294-K296 PolarHBondContact OD1-NZ 3.18Å; D294-T304 PolarHBondContact N-O 3.31Å
295	F	97.7	Very high	97.3	Very high	39 Å²	39	58.4 Å²	58.4	17%	0.171	30%	0.296	C	S	.	.			trans	-57.3	140.3	177.7	-171	-112.7	0	0	0	112.6	V290 L292 L293 G297 T304 Y315 M324	V290-F295 HydrophobicContact CB-CD2 4.08Å; V290-F295 HydrophobicContact CB-CE2 3.84Å; V290-F295 HydrophobicContact CG1-CE2 3.92Å; V290-F295 HydrophobicContact CG2-CD2 4.13Å; V290-F295 HydrophobicContact CG2-CE2 3.84Å; V290-F295 HydrophobicContact CG2-CZ 4.26Å; L292-F295 VanDerWaalsContact O-CB 3.26Å; L292-F295 WeakPolarHBondContact O-CB 3.47Å; L292-F295 PolarHBondContact O-N 3.45Å; L293-F295 PolarHBondContact O-N 2.97Å; L293-F295 VanDerWaalsContact O-N 3.17Å; F295-G297 VanDerWaalsContact CE1-C 3.43Å; F295-G297 VanDerWaalsContact CE1-CA 3.48Å; F295-T304 HydrophobicContact CB-CG2 3.97Å; F295-Y315 AromaticContact CE1-CD2 3.99Å; F295-Y315 HydrophobicContact CE1-CD2 3.99Å; F295-Y315 HydrophobicContact CE1-CE2 4.27Å; F295-Y315 HydrophobicContact CE1-CG 4.42Å; F295-Y315 HydrophobicContact CE2-CG 4.47Å; F295-Y315 AromaticContact CZ-CD1 3.98Å; F295-Y315 HydrophobicContact CZ-CD1 3.98Å; F295-Y315 AromaticContact CZ-CD2 3.63Å; F295-Y315 HydrophobicContact CZ-CD2 3.63Å; F295-Y315 HydrophobicContact CZ-CE1 4.31Å; F295-Y315 AromaticContact CZ-CE2 3.95Å; F295-Y315 HydrophobicContact CZ-CE2 3.95Å; F295-Y315 AromaticContact CZ-CG 3.67Å; F295-Y315 HydrophobicContact CZ-CG 3.67Å; F295-M324 HydrophobicContact CD1-CE 4.14Å; F295-M324 HydrophobicContact CE1-CE 3.74Å; F295-M324 HydrophobicContact CZ-CE 4.34Å
296	K	96.3	Very high	97.3	Very high	148 Å²	148	64.5 Å²	64.5	64%	0.643	32%	0.324	S	S	*	.			trans	-114.2	-8.4	-171.1	-55.9	-58.3	179.1	-126.9	0	115.3	D294	D294-K296 WeakPolarHBondContact O-CD 3.29Å; D294-K296 WeakPolarHBondContact O-CE 3.36Å; D294-K296 WeakPolarHBondContact O-CG 3.38Å; D294-K296 PolarHBondContact O-NZ 2.69Å; D294-K296 IonicContact OD1-NZ 2.65Å; D294-K296 PolarHBondContact OD1-NZ 3.18Å
297	G	95.8	Very high	97.1	Very high	28 Å²	28	66.1 Å²	66.1	29%	0.289	34%	0.341	S	S	.	.	S	Bend	trans	-89.7	-171.3	173.2	0	0	0	0	0	112.6	F295 R299 E322	F295-G297 VanDerWaalsContact CE1-C 3.43Å; F295-G297 VanDerWaalsContact CE1-CA 3.48Å; G297-R299 PolarHBondContact O-N 2.65Å; G297-R299 VanDerWaalsContact O-N 3.12Å; G297-E322 WeakPolarHBondContact CA-OE1 3.17Å
298	F	97.5	Very high	96.9	Very high	57 Å²	57	72.7 Å²	72.7	25%	0.25	37%	0.37	C	S	.	.			trans	-60.5	112.9	175.7	176.6	-110.1	0	0	0	112.2	C251 Y252 K253 G300 E322 M324	C251-F298 HydrophobicContact CB-CB 4.28Å; C251-F298 HydrophobicContact CB-CD1 3.86Å; C251-F298 HydrophobicContact CB-CD2 3.55Å; C251-F298 HydrophobicContact CB-CE1 4.01Å; C251-F298 HydrophobicContact CB-CE2 3.72Å; C251-F298 HydrophobicContact CB-CG 3.62Å; C251-F298 HydrophobicContact CB-CZ 3.94Å; Y252-F298 WeakPolarHBondContact O-CE1 3.24Å; K253-F298 HydrophobicContact CB-CE1 4.35Å; F298-G300 PolarHBondContact O-N 3.24Å; F298-E322 HydrophobicContact CB-CB 3.74Å; F298-E322 HydrophobicContact CB-CG 4.3Å; F298-E322 PolarHBondContact N-OE1 3.17Å; F298-M324 HydrophobicContact CD1-CB 4.11Å; F298-M324 HydrophobicContact CE1-CB 4.36Å; F298-M324 WeakPolarHBondContact O-CE 3.36Å
299	R	97.1	Very high	96.9	Very high	125 Å²	125	69 Å²	69	47%	0.472	35%	0.352	S	S	.	.			trans	-82.3	1.2	-173.3	71.3	-174.6	179.2	99.3	-1.7	116.3	G297 G301 L302 T304	G297-R299 PolarHBondContact O-N 2.65Å; G297-R299 VanDerWaalsContact O-N 3.12Å; R299-G301 PolarHBondContact O-N 3.33Å; R299-L302 WeakPolarHBondContact CD-O 3.21Å; R299-L302 PolarHBondContact NH1-O 2.77Å; R299-L302 VanDerWaalsContact O-CB 3.28Å; R299-L302 WeakPolarHBondContact O-CB 3.39Å; R299-L302 WeakPolarHBondContact O-CG 3.33Å; R299-L302 PolarHBondContact O-N 3.06Å; R299-T304 HydrophobicContact CB-CG2 3.66Å; R299-T304 HydrophobicContact CG-CG2 4.42Å
300	G	96.3	Very high	96.8	Very high	9 Å²	9	64.2 Å²	64.2	9%	0.093	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	-19.1	-179.3	0	0	0	0	0	117.4	K253 F298	K253-G300 VanDerWaalsContact CD-O 3.31Å; K253-G300 WeakPolarHBondContact CD-O 3.33Å; F298-G300 PolarHBondContact O-N 3.24Å
301	G	96.5	Very high	96.7	Very high	44 Å²	44	70.7 Å²	70.7	45%	0.454	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	121.1	-8.5	-166.1	0	0	0	0	0	113.1	R299	R299-G301 PolarHBondContact O-N 3.33Å
302	L	98.1	Very high	96.7	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.005	35%	0.348	C	S	.	.			trans	-65.7	154.1	174.9	-57.8	176.8	0	0	0	112.1	L292 R299 T309 M324 L331	L292-L302 HydrophobicContact CD1-CB 4.28Å; L292-L302 HydrophobicContact CD1-CD1 3.98Å; L292-L302 HydrophobicContact CD2-CB 4.28Å; L292-L302 HydrophobicContact CD2-CD1 3.65Å; L292-L302 HydrophobicContact CG-CD1 4.5Å; R299-L302 WeakPolarHBondContact CD-O 3.21Å; R299-L302 PolarHBondContact NH1-O 2.77Å; R299-L302 VanDerWaalsContact O-CB 3.28Å; R299-L302 WeakPolarHBondContact O-CB 3.39Å; R299-L302 WeakPolarHBondContact O-CG 3.33Å; R299-L302 PolarHBondContact O-N 3.06Å; L302-T309 WeakPolarHBondContact CA-OG1 3.34Å; L302-T309 WeakPolarHBondContact CB-OG1 3.3Å; L302-T309 HydrophobicContact CD2-CG2 4.47Å; L302-M324 HydrophobicContact CD1-CE 4.41Å; L302-M324 HydrophobicContact CD1-CG 3.91Å; L302-M324 HydrophobicContact CD1-SD 3.76Å; L302-L331 HydrophobicContact CD2-CD2 3.65Å
303	D	97.6	Very high	96.7	Very high	20 Å²	20	66.6 Å²	66.6	11%	0.107	35%	0.349	C	S	.	.			trans	-81.4	125	174.5	176.4	27.8	0	0	0	110.8	L305 H306 G307 Q308 T309	D303-L305 PolarHBondContact OD1-N 2.9Å; D303-H306 PolarHBondContact OD1-N 3.04Å; D303-H306 IonicContact OD1-ND1 3.95Å; D303-H306 PolarHBondContact OD1-ND1 2.77Å; D303-H306 WeakPolarHBondContact OD2-CA 3.35Å; D303-H306 VanDerWaalsContact OD2-CB 3.29Å; D303-H306 WeakPolarHBondContact OD2-CB 3.31Å; D303-H306 IonicContact OD2-CG 2.74Å; D303-H306 PolarHBondContact OD2-N 2.95Å; D303-H306 IonicContact OD2-ND1 3.37Å; D303-G307 PolarHBondContact OD2-N 3.22Å; D303-Q308 HydrophobicContact CB-CB 4.22Å; D303-Q308 WeakPolarHBondContact OD2-CB 3.38Å; D303-Q308 PolarHBondContact OD2-N 3.21Å; D303-T309 HydrophobicContact CB-CG2 3.99Å; D303-T309 PolarHBondContact N-OG1 2.79Å
304	T	96.8	Very high	96.8	Very high	20 Å²	20	61.4 Å²	61.4	12%	0.123	32%	0.322	C	S	.	.	S	Bend	trans	-111.1	10.2	-179.9	60.9	0	0	0	0	112.8	L292 D294 F295 R299	L292-T304 WeakPolarHBondContact O-CA 3.26Å; L292-T304 WeakPolarHBondContact O-CB 3.46Å; L292-T304 WeakPolarHBondContact O-CG2 3.29Å; D294-T304 PolarHBondContact N-O 3.31Å; F295-T304 HydrophobicContact CB-CG2 3.97Å; R299-T304 HydrophobicContact CB-CG2 3.66Å; R299-T304 HydrophobicContact CG-CG2 4.42Å
305	L	95.6	Very high	96.8	Very high	116 Å²	116	57.5 Å²	57.5	61%	0.607	30%	0.299	S	S	*	.	S	Bend	trans	-123.4	-39.5	-172.8	-63.4	176.5	0	0	0	113.5	D303	D303-L305 PolarHBondContact OD1-N 2.9Å
306	H	95.6	Very high	96.9	Very high	139 Å²	139	55.9 Å²	55.9	64%	0.644	29%	0.293	S	S	*	.	S	Bend	trans	-123.7	3.6	-171.9	-36.9	89.7	0	0	0	114.1	D303 Q308	D303-H306 PolarHBondContact OD1-N 3.04Å; D303-H306 IonicContact OD1-ND1 3.95Å; D303-H306 PolarHBondContact OD1-ND1 2.77Å; D303-H306 WeakPolarHBondContact OD2-CA 3.35Å; D303-H306 VanDerWaalsContact OD2-CB 3.29Å; D303-H306 WeakPolarHBondContact OD2-CB 3.31Å; D303-H306 IonicContact OD2-CG 2.74Å; D303-H306 PolarHBondContact OD2-N 2.95Å; D303-H306 IonicContact OD2-ND1 3.37Å; H306-Q308 VanDerWaalsContact C-N 3.27Å; H306-Q308 HydrophobicContact CB-CG 4.2Å; H306-Q308 PolarHBondContact O-N 3.49Å
307	G	93.5	Very high	96.9	Very high	35 Å²	35	53 Å²	53	36%	0.361	29%	0.288	S	S	.	.			trans	70.7	12.9	178.9	0	0	0	0	0	115.3	D303 T309 G310	D303-G307 PolarHBondContact OD2-N 3.22Å; G307-T309 PolarHBondContact O-N 3.42Å; G307-T309 VanDerWaalsContact O-N 3.07Å; G307-G310 PolarHBondContact O-N 3.11Å
308	Q	94.9	Very high	97	Very high	143 Å²	143	52.4 Å²	52.4	67%	0.668	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-11.7	-172.5	-69.9	-177.3	-3.2	0	0	114.6	D303 H306	D303-Q308 HydrophobicContact CB-CB 4.22Å; D303-Q308 WeakPolarHBondContact OD2-CB 3.38Å; D303-Q308 PolarHBondContact OD2-N 3.21Å; H306-Q308 VanDerWaalsContact C-N 3.27Å; H306-Q308 HydrophobicContact CB-CG 4.2Å; H306-Q308 PolarHBondContact O-N 3.49Å
309	T	97	Very high	96.7	Very high	15 Å²	15	54.1 Å²	54.1	9%	0.092	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	29.1	179.6	67.7	0	0	0	0	112.3	L302 D303 G307 P332 H346	L302-T309 WeakPolarHBondContact CA-OG1 3.34Å; L302-T309 WeakPolarHBondContact CB-OG1 3.3Å; L302-T309 HydrophobicContact CD2-CG2 4.47Å; D303-T309 HydrophobicContact CB-CG2 3.99Å; D303-T309 PolarHBondContact N-OG1 2.79Å; G307-T309 PolarHBondContact O-N 3.42Å; G307-T309 VanDerWaalsContact O-N 3.07Å; T309-P332 VanDerWaalsContact C-CD 3.5Å; T309-H346 WeakPolarHBondContact CG2-NE2 3.35Å
310	G	95.8	Very high	96.5	Very high	11 Å²	11	57 Å²	57	11%	0.113	30%	0.304	C	S	.	.			trans	99.9	171.2	-177.5	0	0	0	0	0	112.8	G307	G307-G310 PolarHBondContact O-N 3.11Å
311	E	97.5	Very high	96.3	Very high	161 Å²	161	57.3 Å²	57.3	75%	0.752	30%	0.302	S	S	*	.	S	Bend	trans	-88.3	-27.5	178.6	-64	-171.1	-168.6	0	0	113	K291 L292	K291-E311 CarbonylContact C-O 3.59Å; K291-E311 WeakPolarHBondContact CA-O 3.34Å; L292-E311 PolarHBondContact N-O 3.35Å
312	E	98.2	Very high	96.4	Very high	68 Å²	68	57.9 Å²	57.9	32%	0.318	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	159.8	-173	58.2	175.5	-161.1	0	0	112.3	R289 V290	R289-E312 WeakPolarHBondContact CD-OE1 3.32Å; R289-E312 WeakPolarHBondContact CD-OE2 3.35Å; R289-E312 HydrophobicContact CG-CB 4.38Å; R289-E312 IonicContact NE-OE1 3.17Å; R289-E312 IonicContact NE-OE2 3.81Å; V290-E312 CarbonylContact O-C 3.49Å; V290-E312 WeakPolarHBondContact O-CA 3.46Å; V290-E312 WeakPolarHBondContact O-CB 3.32Å
313	S	98.6	Very high	96.4	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	-176.8	165.8	-161.6	0	0	0	0	110.6	R289 V290 F325	R289-S313 WeakPolarHBondContact CA-O 3.38Å; V290-S313 PolarHBondContact N-O 3.14Å; V290-S313 PolarHBondContact O-N 3.23Å; S313-F325 PolarHBondContact OG-O 2.85Å
314	V	98.8	Very high	96.5	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.012	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	133.3	173.5	-177.2	0	0	0	0	109.5	L283 L286 F325 V327 L330	L283-V314 HydrophobicContact CB-CG2 4.04Å; L283-V314 HydrophobicContact CD1-CG2 4.2Å; L283-V314 HydrophobicContact CD2-CG2 4.16Å; L283-V314 HydrophobicContact CG-CG2 4.34Å; L286-V314 HydrophobicContact CB-CG1 4.36Å; V314-F325 HydrophobicContact CB-CB 4.28Å; V314-F325 HydrophobicContact CB-CD2 4.17Å; V314-F325 HydrophobicContact CG1-CD2 3.91Å; V314-F325 HydrophobicContact CG1-CE2 4.47Å; V314-F325 WeakPolarHBondContact O-CB 3.4Å; V314-F325 WeakPolarHBondContact O-CD2 3.34Å; V314-F325 PolarHBondContact O-N 3.4Å; V314-V327 HydrophobicContact CB-CG2 4.36Å; V314-V327 HydrophobicContact CG2-CG2 4.18Å; V314-L330 HydrophobicContact CG2-CD1 4.44Å
315	Y	98.8	Very high	96.6	Very high	23 Å²	23	56 Å²	56	9%	0.09	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	152.4	-178.6	166.2	-85.2	0	0	0	109.8	G287 D288 V290 F295 T317 E322 I323 M324	G287-Y315 WeakPolarHBondContact CA-O 3.37Å; D288-Y315 PolarHBondContact N-O 2.82Å; D288-Y315 PolarHBondContact O-N 2.85Å; V290-Y315 HydrophobicContact CG1-CD1 4.45Å; F295-Y315 AromaticContact CE1-CD2 3.99Å; F295-Y315 HydrophobicContact CE1-CD2 3.99Å; F295-Y315 HydrophobicContact CE1-CE2 4.27Å; F295-Y315 HydrophobicContact CE1-CG 4.42Å; F295-Y315 HydrophobicContact CE2-CG 4.47Å; F295-Y315 AromaticContact CZ-CD1 3.98Å; F295-Y315 HydrophobicContact CZ-CD1 3.98Å; F295-Y315 AromaticContact CZ-CD2 3.63Å; F295-Y315 HydrophobicContact CZ-CD2 3.63Å; F295-Y315 HydrophobicContact CZ-CE1 4.31Å; F295-Y315 AromaticContact CZ-CE2 3.95Å; F295-Y315 HydrophobicContact CZ-CE2 3.95Å; F295-Y315 AromaticContact CZ-CG 3.67Å; F295-Y315 HydrophobicContact CZ-CG 3.67Å; Y315-T317 PolarHBondContact OH-OG1 2.88Å; Y315-E322 HydrophobicContact CE2-CB 4.08Å; Y315-E322 WeakPolarHBondContact OH-CG 3.15Å; Y315-E322 PolarHBondContact OH-OE1 2.95Å; Y315-I323 CarbonylContact C-O 3.57Å; Y315-I323 VanDerWaalsContact CA-O 3.32Å; Y315-I323 WeakPolarHBondContact CA-O 3.25Å; Y315-I323 VanDerWaalsContact CD2-O 3.25Å; Y315-I323 WeakPolarHBondContact CD2-O 3.46Å; Y315-M324 HydrophobicContact CD2-CE 4.04Å
316	T	98.5	Very high	96.7	Very high	6 Å²	6	50.5 Å²	50.5	4%	0.037	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	158.6	163.7	-155.1	0	0	0	0	113.3	D288 F318 I323 R421 L425	D288-T316 PolarHBondContact OD2-OG1 3.05Å; T316-F318 HydrophobicContact CG2-CB 4.41Å; T316-I323 HydrophobicContact CG2-CB 4.35Å; T316-I323 HydrophobicContact CG2-CD1 4.25Å; T316-I323 PolarHBondContact N-O 2.8Å; T316-I323 PolarHBondContact O-N 2.9Å; T316-R421 PolarHBondContact OG1-NH2 2.83Å; T316-L425 HydrophobicContact CG2-CD1 3.99Å
317	T	97.6	Very high	96.9	Very high	87 Å²	87	43.9 Å²	43.9	53%	0.534	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	113.1	168.2	-52.5	0	0	0	0	109.3	Y315 R321	Y315-T317 PolarHBondContact OH-OG1 2.88Å; T317-R321 CarbonylContact C-O 3.54Å; T317-R321 VanDerWaalsContact CA-O 3.32Å; T317-R321 WeakPolarHBondContact CA-O 3.25Å
318	F	96.1	Very high	97.1	Very high	15 Å²	15	42.2 Å²	42.2	7%	0.066	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	113.7	-176.8	179.4	-115.6	0	0	0	111.5	F121 T316 E320 R321 I323 L425 T426 I429	F121-F318 HydrophobicContact CE1-CD1 4.24Å; F121-F318 AromaticContact CE1-CE1 3.91Å; F121-F318 HydrophobicContact CE1-CE1 3.91Å; F121-F318 AromaticContact CZ-CD1 3.86Å; F121-F318 HydrophobicContact CZ-CD1 3.86Å; F121-F318 AromaticContact CZ-CE1 3.77Å; F121-F318 HydrophobicContact CZ-CE1 3.77Å; T316-F318 HydrophobicContact CG2-CB 4.41Å; F318-E320 PolarHBondContact O-N 3.13Å; F318-R321 PolarHBondContact N-O 3.18Å; F318-R321 WeakPolarHBondContact O-CB 3.32Å; F318-R321 PolarHBondContact O-N 3.48Å; F318-I323 HydrophobicContact CB-CD1 3.99Å; F318-L425 HydrophobicContact CB-CD1 4Å; F318-L425 HydrophobicContact CD1-CB 3.67Å; F318-L425 HydrophobicContact CD1-CD1 4.3Å; F318-L425 HydrophobicContact CD2-CB 4.44Å; F318-L425 HydrophobicContact CD2-CD1 3.84Å; F318-L425 HydrophobicContact CE1-CB 3.69Å; F318-L425 HydrophobicContact CE2-CB 4.46Å; F318-L425 HydrophobicContact CE2-CD1 4.36Å; F318-L425 HydrophobicContact CG-CB 4.05Å; F318-L425 HydrophobicContact CG-CD1 3.8Å; F318-L425 HydrophobicContact CZ-CB 4.1Å; F318-T426 WeakPolarHBondContact CE1-OG1 3.31Å; F318-T426 WeakPolarHBondContact CZ-OG1 3.46Å; F318-I429 HydrophobicContact CD1-CD1 4.09Å
319	K	92.6	Very high	97.3	Very high	94 Å²	94	36 Å²	36	41%	0.409	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	56.6	180	-60.3	171.7	-179.2	166.9	0	112.2	I119 F121 R321 T426	I119-K319 PolarHBondContact O-NZ 2.93Å; F121-K319 HydrophobicContact CE2-CB 3.66Å; F121-K319 HydrophobicContact CE2-CD 3.62Å; F121-K319 HydrophobicContact CE2-CG 4.31Å; F121-K319 HydrophobicContact CZ-CB 3.87Å; F121-K319 HydrophobicContact CZ-CD 3.57Å; F121-K319 HydrophobicContact CZ-CG 4.29Å; K319-R321 PolarHBondContact O-N 3.07Å; K319-T426 PolarHBondContact NZ-OG1 2.85Å
320	E	91.4	Very high	97.3	Very high	186 Å²	186	36.8 Å²	36.8	87%	0.869	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	10.4	-178.4	-55.1	174.1	177.2	0	0	115.7	F318	F318-E320 PolarHBondContact O-N 3.13Å
321	R	94	Very high	97.4	Very high	14 Å²	14	36.5 Å²	36.5	5%	0.053	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	136.2	173.8	-60	170.1	-178.3	-75.9	-23.6	110.7	F121 V249 N250 Y252 T317 F318 K319	F121-R321 VanDerWaalsContact CE2-NE 3.3Å; V249-R321 PolarHBondContact O-NH1 2.77Å; N250-R321 CarbonylContact O-C 3.22Å; N250-R321 WeakPolarHBondContact O-CA 3.38Å; N250-R321 WeakPolarHBondContact O-CB 3.47Å; Y252-R321 HydrophobicContact CD2-CB 4.38Å; Y252-R321 HydrophobicContact CE2-CB 4.49Å; Y252-R321 HydrophobicContact CE2-CG 4.34Å; Y252-R321 VanDerWaalsContact CE2-NH1 3.25Å; Y252-R321 PolarHBondContact OH-NH1 3.2Å; T317-R321 CarbonylContact C-O 3.54Å; T317-R321 VanDerWaalsContact CA-O 3.32Å; T317-R321 WeakPolarHBondContact CA-O 3.25Å; F318-R321 PolarHBondContact N-O 3.18Å; F318-R321 WeakPolarHBondContact O-CB 3.32Å; F318-R321 PolarHBondContact O-N 3.48Å; K319-R321 PolarHBondContact O-N 3.07Å
322	E	97.8	Very high	97.4	Very high	57 Å²	57	30.8 Å²	30.8	27%	0.266	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	138.8	171.1	-59.1	-174	85.7	0	0	109.6	N250 C251 Y252 G297 F298 Y315	N250-E322 PolarHBondContact O-N 3.31Å; C251-E322 CarbonylContact C-O 3.54Å; C251-E322 WeakPolarHBondContact CA-O 3.34Å; Y252-E322 PolarHBondContact N-O 3.07Å; G297-E322 WeakPolarHBondContact CA-OE1 3.17Å; F298-E322 HydrophobicContact CB-CB 3.74Å; F298-E322 HydrophobicContact CB-CG 4.3Å; F298-E322 PolarHBondContact N-OE1 3.17Å; Y315-E322 HydrophobicContact CE2-CB 4.08Å; Y315-E322 WeakPolarHBondContact OH-CG 3.15Å; Y315-E322 PolarHBondContact OH-OE1 2.95Å
323	I	98.6	Very high	97.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	120.3	178.9	-50.6	177.1	0	0	0	108.7	Y252 F254 Y315 T316 F318 F325 L425 I429	Y252-I323 WeakPolarHBondContact O-CA 3.46Å; F254-I323 HydrophobicContact CD2-CG2 3.54Å; F254-I323 HydrophobicContact CE2-CG2 3.69Å; Y315-I323 CarbonylContact C-O 3.57Å; Y315-I323 VanDerWaalsContact CA-O 3.32Å; Y315-I323 WeakPolarHBondContact CA-O 3.25Å; Y315-I323 VanDerWaalsContact CD2-O 3.25Å; Y315-I323 WeakPolarHBondContact CD2-O 3.46Å; T316-I323 HydrophobicContact CG2-CB 4.35Å; T316-I323 HydrophobicContact CG2-CD1 4.25Å; T316-I323 PolarHBondContact N-O 2.8Å; T316-I323 PolarHBondContact O-N 2.9Å; F318-I323 HydrophobicContact CB-CD1 3.99Å; I323-F325 HydrophobicContact CG2-CD2 4.33Å; I323-F325 HydrophobicContact CG2-CE1 4.23Å; I323-F325 HydrophobicContact CG2-CE2 3.78Å; I323-F325 HydrophobicContact CG2-CZ 3.73Å; I323-L425 HydrophobicContact CD1-CB 4.44Å; I323-L425 HydrophobicContact CD1-CD2 4.06Å; I323-I429 HydrophobicContact CD1-CD1 4Å
324	M	98.8	Very high	97.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.6	168.9	179.7	57.6	75.8	0	0	109.5	Y252 K253 F254 V290 L292 F295 F298 L302 Y315	Y252-M324 PolarHBondContact O-N 3.48Å; K253-M324 WeakPolarHBondContact CA-O 3.49Å; F254-M324 PolarHBondContact N-O 2.98Å; V290-M324 HydrophobicContact CG2-CE 4.48Å; L292-M324 HydrophobicContact CD2-CE 4.26Å; F295-M324 HydrophobicContact CD1-CE 4.14Å; F295-M324 HydrophobicContact CE1-CE 3.74Å; F295-M324 HydrophobicContact CZ-CE 4.34Å; F298-M324 HydrophobicContact CD1-CB 4.11Å; F298-M324 HydrophobicContact CE1-CB 4.36Å; F298-M324 WeakPolarHBondContact O-CE 3.36Å; L302-M324 HydrophobicContact CD1-CE 4.41Å; L302-M324 HydrophobicContact CD1-CG 3.91Å; L302-M324 HydrophobicContact CD1-SD 3.76Å; Y315-M324 HydrophobicContact CD2-CE 4.04Å
325	F	98.9	Very high	96.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	140.5	173.6	-66.5	-81.9	0	0	0	110.8	F254 V256 L286 S313 V314 I323 V327 L425 L428	F254-F325 HydrophobicContact CB-CD1 3.93Å; F254-F325 HydrophobicContact CB-CE1 4.03Å; F254-F325 AromaticContact CD2-CE1 3.93Å; F254-F325 HydrophobicContact CD2-CE1 3.93Å; F254-F325 HydrophobicContact CD2-CZ 4.44Å; F254-F325 HydrophobicContact CG-CE1 4.47Å; F254-F325 CarbonylContact O-C 3.52Å; F254-F325 WeakPolarHBondContact O-CA 3.34Å; V256-F325 HydrophobicContact CG2-CB 3.98Å; V256-F325 HydrophobicContact CG2-CD1 3.54Å; V256-F325 HydrophobicContact CG2-CE1 4.41Å; V256-F325 HydrophobicContact CG2-CG 4.1Å; L286-F325 HydrophobicContact CB-CE2 4Å; L286-F325 HydrophobicContact CB-CZ 4.05Å; L286-F325 HydrophobicContact CD1-CD1 4.24Å; L286-F325 HydrophobicContact CD1-CE1 4.05Å; L286-F325 HydrophobicContact CD1-CZ 4.26Å; L286-F325 HydrophobicContact CD2-CE1 4.31Å; L286-F325 HydrophobicContact CD2-CZ 4.1Å; L286-F325 HydrophobicContact CG-CZ 4.38Å; S313-F325 PolarHBondContact OG-O 2.85Å; V314-F325 HydrophobicContact CB-CB 4.28Å; V314-F325 HydrophobicContact CB-CD2 4.17Å; V314-F325 HydrophobicContact CG1-CD2 3.91Å; V314-F325 HydrophobicContact CG1-CE2 4.47Å; V314-F325 WeakPolarHBondContact O-CB 3.4Å; V314-F325 WeakPolarHBondContact O-CD2 3.34Å; V314-F325 PolarHBondContact O-N 3.4Å; I323-F325 HydrophobicContact CG2-CD2 4.33Å; I323-F325 HydrophobicContact CG2-CE1 4.23Å; I323-F325 HydrophobicContact CG2-CE2 3.78Å; I323-F325 HydrophobicContact CG2-CZ 3.73Å; F325-V327 HydrophobicContact CB-CG2 3.99Å; F325-L425 HydrophobicContact CE2-CD2 4.48Å; F325-L425 HydrophobicContact CZ-CD2 3.78Å; F325-L428 HydrophobicContact CE1-CD1 4.05Å; F325-L428 HydrophobicContact CZ-CD1 4.45Å
326	H	98.8	Very high	96.7	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.009	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	83.7	169.8	-63.5	147.6	0	0	0	108.4	F254 V256 S328 L331 H346 I347 D350	F254-H326 PolarHBondContact O-N 3.06Å; V256-H326 PolarHBondContact N-O 3.45Å; H326-S328 PolarHBondContact O-N 2.78Å; H326-L331 HydrophobicContact CB-CD1 4.42Å; H326-H346 HydrophobicContact CB-CB 4.28Å; H326-I347 HydrophobicContact CB-CG1 3.8Å; H326-I347 WeakPolarHBondContact O-CD1 3.29Å; H326-I347 WeakPolarHBondContact O-CG1 3.4Å; H326-D350 IonicContact CE1-OD1 3.29Å; H326-D350 PolarHBondContact CE1-OD1 2.84Å; H326-D350 IonicContact CE1-OD2 2.67Å; H326-D350 IonicContact CG-OD2 3.11Å; H326-D350 VanDerWaalsContact ND1-CG 3.31Å; H326-D350 IonicContact ND1-OD1 3.88Å; H326-D350 PolarHBondContact ND1-OD1 3.07Å; H326-D350 IonicContact ND1-OD2 3.99Å; H326-D350 PolarHBondContact ND1-OD2 2.83Å
327	V	98.7	Very high	96.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	116.6	-175.4	-172.5	0	0	0	0	109.9	V256 M279 L283 V314 F325 T329 L330 L331	V256-V327 HydrophobicContact CB-CB 4.49Å; V256-V327 HydrophobicContact CB-CG1 4.47Å; V256-V327 HydrophobicContact CB-CG2 4.21Å; V256-V327 HydrophobicContact CG2-CG2 4.34Å; M279-V327 HydrophobicContact CE-CG1 3.65Å; L283-V327 HydrophobicContact CD1-CG1 4.17Å; L283-V327 HydrophobicContact CD2-CG1 4.28Å; L283-V327 HydrophobicContact CD2-CG2 4.18Å; V314-V327 HydrophobicContact CB-CG2 4.36Å; V314-V327 HydrophobicContact CG2-CG2 4.18Å; F325-V327 HydrophobicContact CB-CG2 3.99Å; V327-T329 PolarHBondContact O-N 2.76Å; V327-L330 HydrophobicContact CB-CB 4.17Å; V327-L330 HydrophobicContact CB-CD1 3.95Å; V327-L330 HydrophobicContact CB-CG 3.98Å; V327-L330 HydrophobicContact CG1-CD1 4.18Å; V327-L330 HydrophobicContact CG1-CG 3.98Å; V327-L330 HydrophobicContact CG2-CD1 4.18Å; V327-L330 PolarHBondContact O-N 2.84Å; V327-L331 PolarHBondContact O-N 2.9Å; V327-L331 VanDerWaalsContact O-N 3.1Å
328	S	98.2	Very high	96.3	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-31.9	-168.8	70.3	0	0	0	0	114	V256 Y258 H326 R343	V256-S328 PolarHBondContact O-N 3.1Å; Y258-S328 PolarHBondContact N-OG 2.88Å; H326-S328 PolarHBondContact O-N 2.78Å; S328-R343 WeakPolarHBondContact O-CD 3.37Å; S328-R343 PolarHBondContact O-NE 3.02Å; S328-R343 PolarHBondContact O-NH1 3.17Å; S328-R343 PolarHBondContact O-NH2 3.41Å
329	T	98.1	Very high	96.2	Very high	13 Å²	13	46.1 Å²	46.1	8%	0.08	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-18.7	-179.5	48.7	0	0	0	0	114.3	N272 H275 V327	N272-T329 HydrophobicContact CB-CG2 4.23Å; N272-T329 WeakPolarHBondContact O-CG2 3.47Å; H275-T329 HydrophobicContact CB-CG2 4.1Å; H275-T329 PolarHBondContact ND1-OG1 2.79Å; V327-T329 PolarHBondContact O-N 2.76Å
330	L	98.1	Very high	96.4	Very high	30 Å²	30	41.8 Å²	41.8	16%	0.157	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-23.4	175.4	-56.9	-178.2	0	0	0	111.9	V314 V327	V314-L330 HydrophobicContact CG2-CD1 4.44Å; V327-L330 HydrophobicContact CB-CB 4.17Å; V327-L330 HydrophobicContact CB-CD1 3.95Å; V327-L330 HydrophobicContact CB-CG 3.98Å; V327-L330 HydrophobicContact CG1-CD1 4.18Å; V327-L330 HydrophobicContact CG1-CG 3.98Å; V327-L330 HydrophobicContact CG2-CD1 4.18Å; V327-L330 PolarHBondContact O-N 2.84Å
331	L	98.1	Very high	96.6	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	23%	0.23	C	C	.	.	S	Bend	trans	-65.7	149.2	165.9	-66.2	174.4	0	0	0	110.8	L302 H326 V327 R343 H346 I347	L302-L331 HydrophobicContact CD2-CD2 3.65Å; H326-L331 HydrophobicContact CB-CD1 4.42Å; V327-L331 PolarHBondContact O-N 2.9Å; V327-L331 VanDerWaalsContact O-N 3.1Å; L331-R343 HydrophobicContact CB-CG 3.97Å; L331-R343 HydrophobicContact CD1-CB 4.46Å; L331-R343 PolarHBondContact O-NE 2.68Å; L331-R343 PolarHBondContact O-NH2 3.25Å; L331-H346 HydrophobicContact CD1-CB 3.94Å; L331-I347 HydrophobicContact CD1-CD1 4.09Å; L331-I347 HydrophobicContact CD1-CG1 4.21Å
332	P	96.5	Very high	96.6	Very high	42 Å²	42	40.8 Å²	40.8	27%	0.273	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-58.6	143	-176.2	-24.7	34.8	0	0	0	113	T309 R343	T309-P332 VanDerWaalsContact C-CD 3.5Å; P332-R343 WeakPolarHBondContact O-CG 3.37Å; P332-R343 PolarHBondContact O-NE 3.44Å
333	Y	96.9	Very high	96.6	Very high	100 Å²	100	38.2 Å²	38.2	39%	0.392	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-95.1	129.6	169.8	175.3	-99.1	0	0	0	109.8	I273 A335 Q340	I273-Y333 HydrophobicContact CD1-CD1 4.22Å; I273-Y333 HydrophobicContact CD1-CE1 3.98Å; I273-Y333 HydrophobicContact CD1-CE2 4.45Å; I273-Y333 HydrophobicContact CG1-CD1 4.06Å; I273-Y333 HydrophobicContact CG1-CD2 3.8Å; I273-Y333 HydrophobicContact CG1-CE1 4.12Å; I273-Y333 HydrophobicContact CG1-CE2 3.86Å; I273-Y333 HydrophobicContact CG1-CG 3.89Å; Y333-A335 HydrophobicContact CE1-CB 4.16Å; Y333-Q340 VanDerWaalsContact CD2-OE1 3.25Å
334	T	95.4	Very high	96.5	Very high	53 Å²	53	40.1 Å²	40.1	33%	0.325	24%	0.243	S	C	.	.			trans	-107	109	178.9	-60.9	0	0	0	0	110.3	G336 D337 Q340	T334-G336 PolarHBondContact O-N 3.45Å; T334-D337 HydrophobicContact CG2-CB 3.68Å; T334-D337 PolarHBondContact O-N 3.04Å; T334-Q340 PolarHBondContact O-NE2 3.46Å
335	A	94.1	Very high	96.4	Very high	87 Å²	87	46.5 Å²	46.5	72%	0.719	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	129	178	0	0	0	0	0	111	Y333	Y333-A335 HydrophobicContact CE1-CB 4.16Å
336	G	93.1	Very high	96.3	Very high	86 Å²	86	47.7 Å²	47.7	89%	0.887	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	-10.3	-178.2	0	0	0	0	0	115.3	T334	T334-G336 PolarHBondContact O-N 3.45Å
337	D	95.1	Very high	96.3	Very high	35 Å²	35	47.6 Å²	47.6	19%	0.187	27%	0.272	C	S	.	.			trans	-93.3	100.6	171.3	174.7	3.7	0	0	0	109.2	T334 Q339 Q340 L341	T334-D337 HydrophobicContact CG2-CB 3.68Å; T334-D337 PolarHBondContact O-N 3.04Å; D337-Q339 VanDerWaalsContact C-N 3.32Å; D337-Q339 PolarHBondContact O-N 3.39Å; D337-Q339 PolarHBondContact OD1-N 3.14Å; D337-Q340 PolarHBondContact O-N 3.26Å; D337-Q340 PolarHBondContact O-NE2 2.86Å; D337-Q340 PolarHBondContact OD1-N 3.46Å; D337-Q340 WeakPolarHBondContact OD2-CA 3.27Å; D337-L341 PolarHBondContact OD2-N 3.32Å
338	S	93.5	Very high	96.2	Very high	85 Å²	85	48 Å²	48	59%	0.594	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-33.7	-178.3	51.5	0	0	0	0	113.1	E267 Q340	E267-S338 VanDerWaalsContact CB-O 3.31Å; E267-S338 WeakPolarHBondContact CB-O 3.1Å; E267-S338 WeakPolarHBondContact CG-O 3.3Å; S338-Q340 VanDerWaalsContact C-N 3.32Å
339	Q	93.8	Very high	96.1	Very high	80 Å²	80	49.9 Å²	49.9	37%	0.374	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-10.6	-179.3	-66.6	-174.9	-11	0	0	113.1	D337 L341	D337-Q339 VanDerWaalsContact C-N 3.32Å; D337-Q339 PolarHBondContact O-N 3.39Å; D337-Q339 PolarHBondContact OD1-N 3.14Å; Q339-L341 HydrophobicContact CB-CD2 3.99Å; Q339-L341 HydrophobicContact CB-CG 4.29Å; Q339-L341 PolarHBondContact O-N 3.07Å
340	Q	97	Very high	96.1	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.014	28%	0.282	C	S	.	.			trans	48.7	56.3	-176.1	-65.6	-68.1	-54.6	0	0	111.3	F270 Y333 T334 D337 S338 Q342 R343 K344	F270-Q340 HydrophobicContact CB-CB 3.85Å; F270-Q340 HydrophobicContact CB-CG 4.23Å; Y333-Q340 VanDerWaalsContact CD2-OE1 3.25Å; T334-Q340 PolarHBondContact O-NE2 3.46Å; D337-Q340 PolarHBondContact O-N 3.26Å; D337-Q340 PolarHBondContact O-NE2 2.86Å; D337-Q340 PolarHBondContact OD1-N 3.46Å; D337-Q340 WeakPolarHBondContact OD2-CA 3.27Å; S338-Q340 VanDerWaalsContact C-N 3.32Å; Q340-Q342 PolarHBondContact O-N 3.44Å; Q340-R343 HydrophobicContact CB-CB 4.13Å; Q340-R343 HydrophobicContact CB-CG 4.18Å; Q340-R343 WeakPolarHBondContact O-CA 3.41Å; Q340-R343 WeakPolarHBondContact O-CB 3.34Å; Q340-R343 PolarHBondContact O-N 3.16Å; Q340-K344 PolarHBondContact O-N 3.08Å
341	L	95.1	Very high	96	Very high	89 Å²	89	48.6 Å²	48.6	47%	0.466	28%	0.279	S	S	.	.	H	α-helix	trans	-54.4	-31.9	-171.4	-67.7	177	0	0	0	113.2	D337 Q339 R345	D337-L341 PolarHBondContact OD2-N 3.32Å; Q339-L341 HydrophobicContact CB-CD2 3.99Å; Q339-L341 HydrophobicContact CB-CG 4.29Å; Q339-L341 PolarHBondContact O-N 3.07Å; L341-R345 WeakPolarHBondContact O-CB 3.43Å; L341-R345 PolarHBondContact O-N 3.2Å
342	Q	93.5	Very high	96.1	Very high	90 Å²	90	48.3 Å²	48.3	42%	0.421	28%	0.277	S	S	.	.	H	α-helix	trans	-63.7	-40.1	173.5	-58.6	-58.3	-18.7	0	0	112.3	Q340 H346	Q340-Q342 PolarHBondContact O-N 3.44Å; Q342-H346 PolarHBondContact O-CD2 2.98Å; Q342-H346 VanDerWaalsContact O-CD2 3.3Å
343	R	97.7	Very high	96.2	Very high	3 Å²	3	46.3 Å²	46.3	1%	0.011	26%	0.264	C	S	.	.	H	α-helix	trans	-72.4	-46.8	177	-58.6	-178.4	163.6	-161.1	-19.3	110.7	F270 N272 S328 L331 P332 Q340 R345 H346 I347	F270-R343 HydrophobicContact CD1-CB 4.35Å; F270-R343 VanDerWaalsContact O-CD 3.29Å; F270-R343 WeakPolarHBondContact O-CD 3.19Å; F270-R343 PolarHBondContact O-NH1 3.12Å; N272-R343 PolarHBondContact O-NH1 2.97Å; S328-R343 WeakPolarHBondContact O-CD 3.37Å; S328-R343 PolarHBondContact O-NE 3.02Å; S328-R343 PolarHBondContact O-NH1 3.17Å; S328-R343 PolarHBondContact O-NH2 3.41Å; L331-R343 HydrophobicContact CB-CG 3.97Å; L331-R343 HydrophobicContact CD1-CB 4.46Å; L331-R343 PolarHBondContact O-NE 2.68Å; L331-R343 PolarHBondContact O-NH2 3.25Å; P332-R343 WeakPolarHBondContact O-CG 3.37Å; P332-R343 PolarHBondContact O-NE 3.44Å; Q340-R343 HydrophobicContact CB-CB 4.13Å; Q340-R343 HydrophobicContact CB-CG 4.18Å; Q340-R343 WeakPolarHBondContact O-CA 3.41Å; Q340-R343 WeakPolarHBondContact O-CB 3.34Å; Q340-R343 PolarHBondContact O-N 3.16Å; R343-R345 VanDerWaalsContact C-N 3.32Å; R343-R345 PolarHBondContact O-N 3Å; R343-H346 PolarHBondContact O-N 2.91Å; R343-I347 PolarHBondContact O-N 3.49Å; R343-I347 VanDerWaalsContact O-N 3.11Å
344	K	96.5	Very high	96.2	Very high	39 Å²	39	41.6 Å²	41.6	17%	0.17	25%	0.246	C	C	.	.	H	α-helix	trans	-62.9	-33.6	177.7	-169.9	171.2	-179.7	172.4	0	112.6	E266 F270 Q340 H346 G348 A369	E266-K344 WeakPolarHBondContact OE1-CD 3.41Å; E266-K344 WeakPolarHBondContact OE1-CE 3.34Å; E266-K344 IonicContact OE1-NZ 3.84Å; E266-K344 PolarHBondContact OE1-NZ 3.42Å; E266-K344 WeakPolarHBondContact OE2-CE 3.45Å; E266-K344 IonicContact OE2-NZ 2.75Å; E266-K344 PolarHBondContact OE2-NZ 3.1Å; F270-K344 HydrophobicContact CD2-CB 4.33Å; F270-K344 HydrophobicContact CE2-CB 4.11Å; F270-K344 HydrophobicContact CE2-CD 4.39Å; F270-K344 HydrophobicContact CE2-CG 4.07Å; Q340-K344 PolarHBondContact O-N 3.08Å; K344-H346 VanDerWaalsContact C-N 3.3Å; K344-H346 PolarHBondContact O-N 3.03Å; K344-G348 WeakPolarHBondContact O-CA 3.46Å; K344-G348 PolarHBondContact O-N 3.37Å; K344-A369 VanDerWaalsContact CE-O 3.29Å; K344-A369 WeakPolarHBondContact CE-O 3.17Å; K344-A369 PolarHBondContact NZ-O 2.92Å
345	R	96.5	Very high	96.4	Very high	134 Å²	134	39 Å²	39	51%	0.506	23%	0.23	S	C	.	.	H	α-helix	trans	-62.2	-31.8	175.8	-176.8	179.5	-172.1	-169.5	6.6	113.6	L341 R343 N349	L341-R345 WeakPolarHBondContact O-CB 3.43Å; L341-R345 PolarHBondContact O-N 3.2Å; R343-R345 VanDerWaalsContact C-N 3.32Å; R343-R345 PolarHBondContact O-N 3Å; R345-N349 WeakPolarHBondContact O-CB 3.45Å; R345-N349 PolarHBondContact O-ND2 2.88Å
346	H	97.6	Very high	96.6	Very high	26 Å²	26	34.9 Å²	34.9	12%	0.12	20%	0.196	C	C	.	.	H	α-helix	trans	-83.6	-62.7	174.2	-71.6	-75.1	0	0	0	110.5	T309 H326 L331 Q342 R343 K344 G348 N349 D350	T309-H346 WeakPolarHBondContact CG2-NE2 3.35Å; H326-H346 HydrophobicContact CB-CB 4.28Å; L331-H346 HydrophobicContact CD1-CB 3.94Å; Q342-H346 PolarHBondContact O-CD2 2.98Å; Q342-H346 VanDerWaalsContact O-CD2 3.3Å; R343-H346 PolarHBondContact O-N 2.91Å; K344-H346 VanDerWaalsContact C-N 3.3Å; K344-H346 PolarHBondContact O-N 3.03Å; H346-G348 PolarHBondContact O-N 2.9Å; H346-N349 PolarHBondContact O-N 2.79Å; H346-D350 PolarHBondContact O-N 2.75Å
347	I	98.1	Very high	96.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-68.1	-41.1	-170.8	-65.4	169.7	0	0	0	112.2	I257 F270 H326 L331 R343 N349 D350	I257-I347 HydrophobicContact CD1-CG2 3.77Å; I257-I347 HydrophobicContact CG1-CD1 4.46Å; I257-I347 HydrophobicContact CG1-CG2 3.86Å; F270-I347 HydrophobicContact CD1-CD1 4.37Å; F270-I347 HydrophobicContact CE1-CB 4.05Å; F270-I347 HydrophobicContact CE1-CD1 3.85Å; F270-I347 HydrophobicContact CE1-CG2 3.9Å; F270-I347 HydrophobicContact CZ-CB 4.34Å; F270-I347 HydrophobicContact CZ-CG2 4.07Å; H326-I347 HydrophobicContact CB-CG1 3.8Å; H326-I347 WeakPolarHBondContact O-CD1 3.29Å; H326-I347 WeakPolarHBondContact O-CG1 3.4Å; L331-I347 HydrophobicContact CD1-CD1 4.09Å; L331-I347 HydrophobicContact CD1-CG1 4.21Å; R343-I347 PolarHBondContact O-N 3.49Å; R343-I347 VanDerWaalsContact O-N 3.11Å; I347-N349 PolarHBondContact O-N 3.01Å; I347-D350 WeakPolarHBondContact O-CB 3.28Å; I347-D350 PolarHBondContact O-N 3.02Å; I347-D350 VanDerWaalsContact O-N 3.1Å
348	G	96.5	Very high	96.7	Very high	7 Å²	7	31.6 Å²	31.6	7%	0.072	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-9.5	178.4	0	0	0	0	0	114.4	K344 H346 S370	K344-G348 WeakPolarHBondContact O-CA 3.46Å; K344-G348 PolarHBondContact O-N 3.37Å; H346-G348 PolarHBondContact O-N 2.9Å; G348-S370 PolarHBondContact O-OG 2.77Å
349	N	96.6	Very high	96.6	Very high	40 Å²	40	32.3 Å²	32.3	21%	0.214	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	10.1	172.2	-71.6	-43.9	0	0	0	112.6	K253 R345 H346 I347 F372	K253-N349 PolarHBondContact NZ-O 2.88Å; R345-N349 WeakPolarHBondContact O-CB 3.45Å; R345-N349 PolarHBondContact O-ND2 2.88Å; H346-N349 PolarHBondContact O-N 2.79Å; I347-N349 PolarHBondContact O-N 3.01Å; N349-F372 HydrophobicContact CB-CD2 4.5Å; N349-F372 WeakPolarHBondContact OD1-CD2 3.46Å; N349-F372 WeakPolarHBondContact OD1-CE2 3.4Å
350	D	97.8	Very high	96.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-85.2	160.5	165.9	-62.9	-32.7	0	0	0	110.5	K253 G255 H326 H346 I347 F372 L373	K253-D350 WeakPolarHBondContact CG-OD1 3.47Å; K253-D350 IonicContact NZ-OD1 2.61Å; K253-D350 PolarHBondContact NZ-OD1 3.35Å; G255-D350 WeakPolarHBondContact CA-OD2 3.16Å; G255-D350 PolarHBondContact N-OD2 3.07Å; H326-D350 IonicContact CE1-OD1 3.29Å; H326-D350 PolarHBondContact CE1-OD1 2.84Å; H326-D350 IonicContact CE1-OD2 2.67Å; H326-D350 IonicContact CG-OD2 3.11Å; H326-D350 VanDerWaalsContact ND1-CG 3.31Å; H326-D350 IonicContact ND1-OD1 3.88Å; H326-D350 PolarHBondContact ND1-OD1 3.07Å; H326-D350 IonicContact ND1-OD2 3.99Å; H326-D350 PolarHBondContact ND1-OD2 2.83Å; H346-D350 PolarHBondContact O-N 2.75Å; I347-D350 WeakPolarHBondContact O-CB 3.28Å; I347-D350 PolarHBondContact O-N 3.02Å; I347-D350 VanDerWaalsContact O-N 3.1Å; D350-F372 CarbonylContact O-C 3.56Å; D350-F372 VanDerWaalsContact O-C 3.23Å; D350-F372 WeakPolarHBondContact O-CB 3.42Å; D350-L373 HydrophobicContact CB-CD2 4.33Å; D350-L373 WeakPolarHBondContact O-CD2 3.22Å; D350-L373 PolarHBondContact O-N 2.91Å
351	I	97.5	Very high	96.2	Very high	16 Å²	16	30.6 Å²	30.6	8%	0.082	15%	0.147	C	C	.	.	S	Bend	trans	-89.6	-31.8	-179.3	-59.3	-178.1	0	0	0	111.1	H374 E432 C435 Y436 F441	I351-H374 PolarHBondContact O-N 3.3Å; I351-E432 HydrophobicContact CB-CG 4.06Å; I351-E432 HydrophobicContact CD1-CG 4.03Å; I351-E432 HydrophobicContact CG2-CG 4.05Å; I351-C435 HydrophobicContact CG2-CB 3.27Å; I351-Y436 HydrophobicContact CD1-CE1 4.19Å; I351-Y436 HydrophobicContact CD1-CE2 4.08Å; I351-F441 HydrophobicContact CB-CZ 4.39Å; I351-F441 HydrophobicContact CD1-CE1 4.04Å; I351-F441 HydrophobicContact CD1-CZ 4.07Å; I351-F441 HydrophobicContact CG1-CE1 4.14Å; I351-F441 HydrophobicContact CG1-CE2 4.43Å; I351-F441 HydrophobicContact CG1-CZ 3.77Å; I351-F441 HydrophobicContact CG2-CE2 3.86Å; I351-F441 HydrophobicContact CG2-CZ 4.05Å
352	V	98.6	Very high	96.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	135.5	-178.5	-171.8	0	0	0	0	109.1	F254 G255 A375 L428 A431 E432	F254-V352 HydrophobicContact CD1-CB 3.97Å; F254-V352 HydrophobicContact CE1-CB 4.24Å; G255-V352 PolarHBondContact N-O 3.05Å; V352-A375 WeakPolarHBondContact CA-O 3.09Å; V352-A375 HydrophobicContact CG1-CB 4.25Å; V352-A375 HydrophobicContact CG2-CB 4.34Å; V352-L428 HydrophobicContact CG1-CD2 3.88Å; V352-A431 HydrophobicContact CG1-CB 3.94Å; V352-A431 HydrophobicContact CG2-CB 3.83Å; V352-E432 HydrophobicContact CG2-CB 3.86Å
353	A	98.7	Very high	96.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	151.1	171.6	0	0	0	0	0	111.7	G255 I257 L373 A375 Y376 I377	G255-A353 CarbonylContact O-C 3.23Å; G255-A353 WeakPolarHBondContact O-CA 3.4Å; I257-A353 HydrophobicContact CD1-CB 4.23Å; A353-L373 HydrophobicContact CB-CD2 3.66Å; A353-A375 PolarHBondContact N-O 3.38Å; A353-A375 VanDerWaalsContact N-O 3.1Å; A353-Y376 HydrophobicContact CB-CD1 3.98Å; A353-Y376 HydrophobicContact CB-CE1 4.13Å; A353-Y376 CarbonylContact O-C 3.57Å; A353-Y376 VanDerWaalsContact O-CA 3.29Å; A353-Y376 WeakPolarHBondContact O-CA 3.26Å; A353-I377 PolarHBondContact O-N 2.77Å
354	L	98.7	Very high	96.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.6	168.1	-166.7	150.1	0	0	0	108.8	G255 V256 I257 F282 L286 F356 I377 V379 L424 L428	G255-L354 PolarHBondContact O-N 2.73Å; V256-L354 CarbonylContact C-O 3.57Å; V256-L354 WeakPolarHBondContact CA-O 3.16Å; V256-L354 HydrophobicContact CG1-CD2 4.29Å; I257-L354 PolarHBondContact N-O 2.89Å; F282-L354 HydrophobicContact CE1-CD1 4.37Å; F282-L354 HydrophobicContact CE1-CD2 3.59Å; F282-L354 HydrophobicContact CZ-CD1 3.79Å; F282-L354 HydrophobicContact CZ-CD2 3.62Å; F282-L354 HydrophobicContact CZ-CG 4.38Å; L286-L354 HydrophobicContact CD2-CD1 4.23Å; L354-F356 HydrophobicContact CD2-CB 4.32Å; L354-I377 CarbonylContact C-O 3.6Å; L354-I377 VanDerWaalsContact CA-O 3.28Å; L354-I377 WeakPolarHBondContact CA-O 3.45Å; L354-V379 HydrophobicContact CD1-CG2 4.23Å; L354-V379 HydrophobicContact CD2-CB 4.41Å; L354-V379 HydrophobicContact CD2-CG2 4.02Å; L354-V379 HydrophobicContact CG-CG2 4.18Å; L354-L424 HydrophobicContact CD1-CD1 3.9Å; L354-L424 HydrophobicContact CD1-CD2 3.96Å; L354-L424 HydrophobicContact CD1-CG 4.17Å; L354-L428 HydrophobicContact CD1-CD1 4.4Å
355	V	98.5	Very high	96	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	108.8	176.6	-175.3	0	0	0	0	108	Q259 Q357 F363 Y376 I377 V378 V379	Q259-V355 HydrophobicContact CB-CG1 4.21Å; V355-Q357 HydrophobicContact CG1-CG 4.44Å; V355-F363 HydrophobicContact CB-CD2 4.46Å; V355-F363 HydrophobicContact CB-CE2 4.48Å; V355-F363 HydrophobicContact CG1-CD2 3.87Å; V355-F363 HydrophobicContact CG1-CE2 4.15Å; V355-F363 HydrophobicContact CG1-CG 4.49Å; V355-F363 HydrophobicContact CG2-CD2 4.1Å; V355-F363 HydrophobicContact CG2-CE1 4.28Å; V355-F363 HydrophobicContact CG2-CE2 3.66Å; V355-F363 HydrophobicContact CG2-CZ 3.77Å; V355-Y376 HydrophobicContact CG2-CD1 4.15Å; V355-I377 PolarHBondContact N-O 3.26Å; V355-V378 HydrophobicContact CB-CG1 4.36Å; V355-V378 HydrophobicContact CB-CG2 4.18Å; V355-V378 HydrophobicContact CG2-CG2 4.46Å; V355-V378 WeakPolarHBondContact O-CA 3.38Å; V355-V379 PolarHBondContact O-N 2.94Å
356	F	98.5	Very high	95.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	118.6	173.8	-172.8	-86.6	0	0	0	109.6	I257 Y258 Q259 K278 M279 F282 L354 V379 P381 Y391	I257-F356 PolarHBondContact O-N 3.31Å; Y258-F356 AromaticContact CD2-CD1 3.95Å; Y258-F356 HydrophobicContact CD2-CD1 3.95Å; Y258-F356 AromaticContact CE2-CD1 3.86Å; Y258-F356 HydrophobicContact CE2-CD1 3.86Å; Y258-F356 HydrophobicContact CE2-CE1 4.27Å; Q259-F356 PolarHBondContact N-O 2.78Å; K278-F356 HydrophobicContact CB-CE1 4.13Å; K278-F356 HydrophobicContact CB-CZ 4.03Å; K278-F356 VanDerWaalsContact O-CZ 3.23Å; K278-F356 WeakPolarHBondContact O-CZ 3.17Å; M279-F356 HydrophobicContact CB-CD1 3.65Å; M279-F356 HydrophobicContact CB-CE1 3.69Å; M279-F356 HydrophobicContact CB-CG 4.34Å; M279-F356 HydrophobicContact CB-CZ 4.39Å; M279-F356 HydrophobicContact CG-CD1 3.93Å; M279-F356 HydrophobicContact CG-CE1 4.41Å; M279-F356 HydrophobicContact CG-CG 4.18Å; M279-F356 HydrophobicContact SD-CD1 4.45Å; F282-F356 HydrophobicContact CB-CD2 3.95Å; F282-F356 HydrophobicContact CB-CE2 3.45Å; F282-F356 VanDerWaalsContact CB-CE2 3.45Å; F282-F356 HydrophobicContact CB-CZ 4.12Å; F282-F356 HydrophobicContact CD1-CB 4.49Å; F282-F356 AromaticContact CD1-CD2 3.3Å; F282-F356 HydrophobicContact CD1-CD2 3.3Å; F282-F356 AromaticContact CD1-CE2 3.76Å; F282-F356 HydrophobicContact CD1-CE2 3.76Å; F282-F356 HydrophobicContact CD1-CG 4.09Å; F282-F356 HydrophobicContact CD2-CD2 4.06Å; F282-F356 AromaticContact CD2-CE2 3.94Å; F282-F356 HydrophobicContact CD2-CE2 3.94Å; F282-F356 HydrophobicContact CE1-CB 4.48Å; F282-F356 AromaticContact CE1-CD2 3.74Å; F282-F356 HydrophobicContact CE1-CD2 3.74Å; F282-F356 HydrophobicContact CE1-CG 4.48Å; F282-F356 HydrophobicContact CE2-CD2 4.44Å; F282-F356 AromaticContact CG-CD2 3.48Å; F282-F356 HydrophobicContact CG-CD2 3.48Å; F282-F356 VanDerWaalsContact CG-CD2 3.48Å; F282-F356 AromaticContact CG-CE2 3.42Å; F282-F356 HydrophobicContact CG-CE2 3.42Å; F282-F356 VanDerWaalsContact CG-CE2 3.42Å; F282-F356 HydrophobicContact CG-CZ 4.5Å; F282-F356 HydrophobicContact CZ-CD2 4.29Å; L354-F356 HydrophobicContact CD2-CB 4.32Å; F356-V379 HydrophobicContact CD2-CB 4.42Å; F356-V379 HydrophobicContact CD2-CG1 4.32Å; F356-V379 HydrophobicContact CE2-CG1 4.45Å; F356-P381 HydrophobicContact CE1-CG 4.4Å; F356-P381 HydrophobicContact CZ-CB 4.37Å; F356-P381 HydrophobicContact CZ-CG 3.86Å; F356-Y391 HydrophobicContact CE2-CD1 4.41Å; F356-Y391 AromaticContact CE2-CE1 3.99Å; F356-Y391 HydrophobicContact CE2-CE1 3.99Å
357	Q	97	Very high	95.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	129.5	178.5	-57.2	-172.4	-38.9	0	0	109.7	Q259 V355 E359 T361 V378 V379 T380 P381	Q259-Q357 HydrophobicContact CB-CG 4.38Å; Q259-Q357 CarbonylContact O-C 3.47Å; Q259-Q357 WeakPolarHBondContact O-CA 3.3Å; V355-Q357 HydrophobicContact CG1-CG 4.44Å; Q357-E359 VanDerWaalsContact C-N 3.33Å; Q357-T361 PolarHBondContact NE2-O 3.39Å; Q357-V378 HydrophobicContact CG-CG1 3.86Å; Q357-V379 PolarHBondContact N-O 2.96Å; Q357-T380 HydrophobicContact CB-CG2 4.19Å; Q357-T380 PolarHBondContact OE1-OG1 3.48Å; Q357-P381 WeakPolarHBondContact O-CD 3.31Å
358	E	93	Very high	95.3	Very high	52 Å²	52	18.5 Å²	18.5	24%	0.243	10%	0.1	C	C	.	.	S	Bend	trans	-68.5	-37	174.6	-175.1	159.1	-152.2	0	0	111.5	Y258 Q259 K278	Y258-E358 HydrophobicContact CE2-CB 4.05Å; Y258-E358 PolarHBondContact OH-OE1 2.89Å; Y258-E358 PolarHBondContact OH-OE2 3.2Å; Q259-E358 PolarHBondContact O-N 2.75Å; K278-E358 HydrophobicContact CD-CG 4.21Å; K278-E358 VanDerWaalsContact CD-O 3.31Å; K278-E358 WeakPolarHBondContact CD-O 3.47Å; K278-E358 PolarHBondContact NZ-O 2.79Å
359	E	91	Very high	95.2	Very high	99 Å²	99	21.6 Å²	21.6	46%	0.463	12%	0.124	S	C	.	.	S	Bend	trans	-145.2	161.9	178	-59.6	-165.5	164.8	0	0	110.1	F261 K278 Q357 T361	F261-E359 HydrophobicContact CB-CB 4.36Å; F261-E359 HydrophobicContact CD2-CB 4.44Å; K278-E359 IonicContact NZ-OE1 3.09Å; K278-E359 PolarHBondContact NZ-OE1 3.44Å; Q357-E359 VanDerWaalsContact C-N 3.33Å; E359-T361 PolarHBondContact O-N 3.37Å; E359-T361 PolarHBondContact O-OG1 3.13Å
360	S	90.9	Very high	95.1	Very high	47 Å²	47	20.1 Å²	20.1	33%	0.329	12%	0.117	S	C	.	.			trans	-57.2	109.1	-176.4	-168.6	0	0	0	0	111	Y81	Y81-S360 VanDerWaalsContact CD2-O 3.24Å; Y81-S360 WeakPolarHBondContact CD2-O 3.41Å
361	T	92.8	Very high	94.8	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.145	C	C	.	.			trans	-135.2	143.6	-177.5	-49.2	0	0	0	0	107.6	Q259 Q357 E359	Q259-T361 HydrophobicContact CG-CG2 4.34Å; Q357-T361 PolarHBondContact NE2-O 3.39Å; E359-T361 PolarHBondContact O-N 3.37Å; E359-T361 PolarHBondContact O-OG1 3.13Å
362	P	94.1	Very high	94.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.			trans	-63.5	140.4	171.3	-19	31.5	0	0	0	111.6	I71 I74 L75 P82 V85 Q259	I71-P362 HydrophobicContact CD1-CB 3.96Å; I71-P362 HydrophobicContact CG1-CB 3.86Å; I71-P362 HydrophobicContact CG1-CG 4.32Å; I74-P362 HydrophobicContact CB-CG 4.46Å; I74-P362 HydrophobicContact CG2-CG 3.74Å; L75-P362 HydrophobicContact CD2-CG 4.26Å; L75-P362 HydrophobicContact CG-CG 4.38Å; P82-P362 WeakPolarHBondContact O-CA 3.46Å; V85-P362 HydrophobicContact CG2-CB 3.99Å; Q259-P362 PolarHBondContact NE2-O 3.47Å
363	F	95.2	Very high	94.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.			trans	-120.8	125.2	168.2	177.8	-94.8	0	0	0	109.7	T83 V84 V85 V355 P365 M367 I368 Y376 V378	T83-F363 PolarHBondContact O-N 3.29Å; V84-F363 CarbonylContact C-O 3.58Å; V84-F363 VanDerWaalsContact CA-O 3.28Å; V84-F363 WeakPolarHBondContact CA-O 3.33Å; V84-F363 WeakPolarHBondContact CG1-O 3.36Å; V85-F363 PolarHBondContact N-O 2.83Å; V355-F363 HydrophobicContact CB-CD2 4.46Å; V355-F363 HydrophobicContact CB-CE2 4.48Å; V355-F363 HydrophobicContact CG1-CD2 3.87Å; V355-F363 HydrophobicContact CG1-CE2 4.15Å; V355-F363 HydrophobicContact CG1-CG 4.49Å; V355-F363 HydrophobicContact CG2-CD2 4.1Å; V355-F363 HydrophobicContact CG2-CE1 4.28Å; V355-F363 HydrophobicContact CG2-CE2 3.66Å; V355-F363 HydrophobicContact CG2-CZ 3.77Å; F363-P365 HydrophobicContact CE1-CB 4.46Å; F363-P365 HydrophobicContact CE1-CG 4.29Å; F363-M367 HydrophobicContact CB-CE 4.36Å; F363-M367 HydrophobicContact CD2-CE 3.26Å; F363-M367 HydrophobicContact CE2-CE 3.63Å; F363-M367 HydrophobicContact CG-CE 3.99Å; F363-I368 HydrophobicContact CE2-CD1 3.96Å; F363-I368 HydrophobicContact CZ-CD1 4.06Å; F363-Y376 HydrophobicContact CE1-CD1 4.1Å; F363-Y376 HydrophobicContact CE1-CD2 4.15Å; F363-Y376 AromaticContact CE1-CG 3.85Å; F363-Y376 HydrophobicContact CE1-CG 3.85Å; F363-Y376 AromaticContact CZ-CD1 3.78Å; F363-Y376 HydrophobicContact CZ-CD1 3.78Å; F363-Y376 HydrophobicContact CZ-CD2 4.4Å; F363-Y376 AromaticContact CZ-CE1 3.97Å; F363-Y376 HydrophobicContact CZ-CE1 3.97Å; F363-Y376 HydrophobicContact CZ-CG 4Å; F363-V378 HydrophobicContact CB-CG2 4.38Å; F363-V378 HydrophobicContact CD1-CG2 3.75Å; F363-V378 HydrophobicContact CE1-CG2 4.35Å; F363-V378 HydrophobicContact CG-CG2 4.14Å
364	V	94.5	Very high	94.5	Very high	22 Å²	22	28.1 Å²	28.1	13%	0.133	15%	0.153	C	C	.	.			trans	-107.2	127.3	169.9	174.7	0	0	0	0	108.2	I71 V85 P87 D366 M367	I71-V364 HydrophobicContact CD1-CG2 4.26Å; V85-V364 HydrophobicContact CB-CG2 3.67Å; V85-V364 HydrophobicContact CG1-CG2 3.89Å; P87-V364 HydrophobicContact CB-CG1 4.07Å; P87-V364 HydrophobicContact CG-CG1 3.81Å; V364-D366 PolarHBondContact O-N 3.06Å; V364-D366 VanDerWaalsContact O-N 3.14Å; V364-M367 HydrophobicContact CB-CG 3.91Å; V364-M367 HydrophobicContact CB-SD 4.14Å; V364-M367 WeakPolarHBondContact O-CB 3.47Å; V364-M367 VanDerWaalsContact O-CG 3.25Å; V364-M367 WeakPolarHBondContact O-CG 3.23Å; V364-M367 PolarHBondContact O-N 2.72Å
365	P	93.5	Very high	94.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-53.4	-32.7	-178	-31.7	37.5	0	0	0	116	V85 Y92 F363 M367 Y376 A396	V85-P365 WeakPolarHBondContact O-CD 3.44Å; Y92-P365 HydrophobicContact CD1-CB 3.72Å; Y92-P365 HydrophobicContact CD1-CG 4.02Å; Y92-P365 HydrophobicContact CD2-CB 4.22Å; Y92-P365 HydrophobicContact CE1-CB 3.46Å; Y92-P365 VanDerWaalsContact CE1-CB 3.46Å; Y92-P365 HydrophobicContact CE1-CG 4.28Å; Y92-P365 HydrophobicContact CE2-CB 3.99Å; Y92-P365 HydrophobicContact CG-CB 4.12Å; Y92-P365 HydrophobicContact CG-CG 4.19Å; F363-P365 HydrophobicContact CE1-CB 4.46Å; F363-P365 HydrophobicContact CE1-CG 4.29Å; P365-M367 VanDerWaalsContact C-N 3.3Å; P365-M367 PolarHBondContact O-N 3.32Å; P365-Y376 HydrophobicContact CB-CD2 3.88Å; P365-Y376 HydrophobicContact CB-CE2 3.76Å; P365-Y376 HydrophobicContact CG-CD2 4.46Å; P365-Y376 PolarHBondContact O-OH 2.85Å; P365-A396 HydrophobicContact CG-CB 3.68Å
366	D	91.4	Very high	94.5	Very high	80 Å²	80	28.1 Å²	28.1	43%	0.428	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-83.8	4.9	-179.8	-66.9	-32.9	0	0	0	114.2	P87 Y92 V364 I368	P87-D366 HydrophobicContact CB-CB 4.46Å; P87-D366 WeakPolarHBondContact CB-OD2 3.41Å; P87-D366 HydrophobicContact CG-CB 4.36Å; P87-D366 WeakPolarHBondContact CG-OD2 3.42Å; Y92-D366 WeakPolarHBondContact CE2-OD1 3.5Å; Y92-D366 WeakPolarHBondContact CE2-OD2 3.42Å; Y92-D366 VanDerWaalsContact CZ-OD1 3.24Å; Y92-D366 PolarHBondContact OH-OD1 3.34Å; V364-D366 PolarHBondContact O-N 3.06Å; V364-D366 VanDerWaalsContact O-N 3.14Å; D366-I368 PolarHBondContact O-N 2.94Å
367	M	93.1	Very high	94.5	Very high	24 Å²	24	28.1 Å²	28.1	12%	0.118	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-66.9	-10.7	167.3	-64.6	177.9	-30.9	0	0	112.9	I71 T264 E266 L269 F363 V364 P365	I71-M367 HydrophobicContact CD1-SD 3.44Å; I71-M367 WeakPolarHBondContact CD1-SD 3.28Å; T264-M367 VanDerWaalsContact O-SD 3.42Å; E266-M367 WeakPolarHBondContact CB-O 3.31Å; L269-M367 HydrophobicContact CD1-CE 4.21Å; F363-M367 HydrophobicContact CB-CE 4.36Å; F363-M367 HydrophobicContact CD2-CE 3.26Å; F363-M367 HydrophobicContact CE2-CE 3.63Å; F363-M367 HydrophobicContact CG-CE 3.99Å; V364-M367 HydrophobicContact CB-CG 3.91Å; V364-M367 HydrophobicContact CB-SD 4.14Å; V364-M367 WeakPolarHBondContact O-CB 3.47Å; V364-M367 VanDerWaalsContact O-CG 3.25Å; V364-M367 WeakPolarHBondContact O-CG 3.23Å; V364-M367 PolarHBondContact O-N 2.72Å; P365-M367 VanDerWaalsContact C-N 3.3Å; P365-M367 PolarHBondContact O-N 3.32Å
368	I	94.1	Very high	94.5	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.01	15%	0.153	C	C	.	.	S	Bend	trans	-122.6	110.4	178.4	-61.1	153.7	0	0	0	107.9	I257 E266 L269 F270 F363 D366 S370 L373 Y376	I257-I368 HydrophobicContact CD1-CD1 3.41Å; I257-I368 VanDerWaalsContact CD1-CD1 3.41Å; I257-I368 HydrophobicContact CD1-CG1 4.47Å; E266-I368 WeakPolarHBondContact OE2-CA 3.39Å; L269-I368 HydrophobicContact CD1-CD1 4.23Å; L269-I368 HydrophobicContact CD1-CG1 4.09Å; F270-I368 HydrophobicContact CE2-CG2 4.35Å; F270-I368 HydrophobicContact CZ-CG2 4.24Å; F363-I368 HydrophobicContact CE2-CD1 3.96Å; F363-I368 HydrophobicContact CZ-CD1 4.06Å; D366-I368 PolarHBondContact O-N 2.94Å; I368-S370 PolarHBondContact O-N 3.02Å; I368-L373 HydrophobicContact CG2-CD1 3.83Å; I368-Y376 HydrophobicContact CD1-CE1 3.86Å
369	A	93.7	Very high	94.8	Very high	71 Å²	71	25.6 Å²	25.6	59%	0.587	14%	0.142	S	C	*	.			trans	-78.4	86.2	-176.7	0	0	0	0	0	109.9	E266 K344	E266-A369 PolarHBondContact OE2-N 2.76Å; K344-A369 VanDerWaalsContact CE-O 3.29Å; K344-A369 WeakPolarHBondContact CE-O 3.17Å; K344-A369 PolarHBondContact NZ-O 2.92Å
370	S	94.8	Very high	95	Very high	10 Å²	10	21.2 Å²	21.2	7%	0.07	12%	0.122	C	C	.	.			trans	-127.3	136.4	178.4	174.2	0	0	0	0	114.2	G348 I368 F372 L373 R398	G348-S370 PolarHBondContact O-OG 2.77Å; I368-S370 PolarHBondContact O-N 3.02Å; S370-F372 PolarHBondContact OG-N 3.37Å; S370-L373 PolarHBondContact OG-N 3.32Å; S370-R398 PolarHBondContact O-NH2 3.34Å
371	H	92.1	Very high	95.2	Very high	124 Å²	124	19.9 Å²	19.9	57%	0.574	11%	0.112	S	C	*	.	S	Bend	trans	-82	-13	171.4	-92.3	6.2	0	0	0	114.6	K440	H371-K440 VanDerWaalsContact CB-NZ 3.32Å; H371-K440 PolarHBondContact O-NZ 3.13Å
372	F	93.9	Very high	95.1	Very high	54 Å²	54	22.1 Å²	22.1	24%	0.237	12%	0.123	C	C	.	.	S	Bend	trans	-113.7	-35.6	-175.7	-67.4	-86.4	0	0	0	113.2	N349 D350 S370 H374 F441	N349-F372 HydrophobicContact CB-CD2 4.5Å; N349-F372 WeakPolarHBondContact OD1-CD2 3.46Å; N349-F372 WeakPolarHBondContact OD1-CE2 3.4Å; D350-F372 CarbonylContact O-C 3.56Å; D350-F372 VanDerWaalsContact O-C 3.23Å; D350-F372 WeakPolarHBondContact O-CB 3.42Å; S370-F372 PolarHBondContact OG-N 3.37Å; F372-H374 PolarHBondContact O-N 3.17Å; F372-H374 PolarHBondContact O-ND1 3.01Å; F372-F441 HydrophobicContact CD1-CE1 4.16Å; F372-F441 HydrophobicContact CD1-CZ 4.33Å; F372-F441 WeakPolarHBondContact O-CZ 3.49Å
373	L	96.9	Very high	94.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.159	C	C	.	.			trans	-63.5	121.2	174.4	-66.6	169.9	0	0	0	109.5	D350 A353 I368 S370 Y376 R398	D350-L373 HydrophobicContact CB-CD2 4.33Å; D350-L373 WeakPolarHBondContact O-CD2 3.22Å; D350-L373 PolarHBondContact O-N 2.91Å; A353-L373 HydrophobicContact CB-CD2 3.66Å; I368-L373 HydrophobicContact CG2-CD1 3.83Å; S370-L373 PolarHBondContact OG-N 3.32Å; L373-Y376 HydrophobicContact CB-CE1 4.43Å; L373-Y376 HydrophobicContact CD1-CE1 4Å; L373-R398 VanDerWaalsContact O-CZ 3.23Å; L373-R398 PolarHBondContact O-NH1 2.67Å; L373-R398 PolarHBondContact O-NH2 3.03Å
374	H	96.9	Very high	92.9	Very high	5 Å²	5	28.7 Å²	28.7	2%	0.023	17%	0.174	C	C	.	.			trans	-125.4	-13.8	178.1	-76.4	63.3	0	0	0	112.7	I351 F372 A397 R398 V401 C435 F441	I351-H374 PolarHBondContact O-N 3.3Å; F372-H374 PolarHBondContact O-N 3.17Å; F372-H374 PolarHBondContact O-ND1 3.01Å; H374-A397 CarbonylContact O-C 3.5Å; H374-A397 WeakPolarHBondContact O-CA 3.48Å; H374-A397 WeakPolarHBondContact O-CB 3.49Å; H374-R398 PolarHBondContact CE1-NH1 2.93Å; H374-R398 PolarHBondContact ND1-NH1 3.11Å; H374-R398 PolarHBondContact NE2-NH1 3.48Å; H374-R398 PolarHBondContact O-N 2.89Å; H374-V401 HydrophobicContact CB-CG2 3.91Å; H374-C435 HydrophobicContact CB-CB 4.23Å; H374-F441 HydrophobicContact CB-CE2 4.4Å; H374-F441 AromaticContact CE1-CE2 3.51Å; H374-F441 AromaticContact CG-CE2 3.77Å; H374-F441 AromaticContact ND1-CE2 3.34Å; H374-F441 VanDerWaalsContact ND1-CE2 3.34Å; H374-F441 WeakPolarHBondContact ND1-CE2 3.49Å; H374-F441 AromaticContact ND1-CZ 3.96Å
375	A	98.3	Very high	91.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	145	173.7	0	0	0	0	0	112.1	V352 A353 A396 A397 F404 A431	V352-A375 WeakPolarHBondContact CA-O 3.09Å; V352-A375 HydrophobicContact CG1-CB 4.25Å; V352-A375 HydrophobicContact CG2-CB 4.34Å; A353-A375 PolarHBondContact N-O 3.38Å; A353-A375 VanDerWaalsContact N-O 3.1Å; A375-A396 CarbonylContact C-O 3.54Å; A375-A396 WeakPolarHBondContact CA-O 3.38Å; A375-A397 HydrophobicContact CB-CB 3.73Å; A375-F404 HydrophobicContact CB-CE1 4.41Å; A375-F404 HydrophobicContact CB-CZ 4.28Å; A375-A431 HydrophobicContact CB-CB 4.22Å
376	Y	98.6	Very high	89.7	Confident	0 Å²	0	39 Å²	39	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.3	176.9	-62.8	-82.6	0	0	0	109.7	Y92 A353 V355 F363 P365 I368 L373 V395 A396	Y92-Y376 HydrophobicContact CE1-CE2 4.48Å; A353-Y376 HydrophobicContact CB-CD1 3.98Å; A353-Y376 HydrophobicContact CB-CE1 4.13Å; A353-Y376 CarbonylContact O-C 3.57Å; A353-Y376 VanDerWaalsContact O-CA 3.29Å; A353-Y376 WeakPolarHBondContact O-CA 3.26Å; V355-Y376 HydrophobicContact CG2-CD1 4.15Å; F363-Y376 HydrophobicContact CE1-CD1 4.1Å; F363-Y376 HydrophobicContact CE1-CD2 4.15Å; F363-Y376 AromaticContact CE1-CG 3.85Å; F363-Y376 HydrophobicContact CE1-CG 3.85Å; F363-Y376 AromaticContact CZ-CD1 3.78Å; F363-Y376 HydrophobicContact CZ-CD1 3.78Å; F363-Y376 HydrophobicContact CZ-CD2 4.4Å; F363-Y376 AromaticContact CZ-CE1 3.97Å; F363-Y376 HydrophobicContact CZ-CE1 3.97Å; F363-Y376 HydrophobicContact CZ-CG 4Å; P365-Y376 HydrophobicContact CB-CD2 3.88Å; P365-Y376 HydrophobicContact CB-CE2 3.76Å; P365-Y376 HydrophobicContact CG-CD2 4.46Å; P365-Y376 PolarHBondContact O-OH 2.85Å; I368-Y376 HydrophobicContact CD1-CE1 3.86Å; L373-Y376 HydrophobicContact CB-CE1 4.43Å; L373-Y376 HydrophobicContact CD1-CE1 4Å; Y376-V395 WeakPolarHBondContact O-CA 3.45Å; Y376-A396 PolarHBondContact N-O 2.87Å; Y376-A396 PolarHBondContact O-N 3.14Å
377	I	98.4	Very high	88.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	114.7	166.7	-55.1	-175.5	0	0	0	107.6	A353 L354 V355 V379 V393 V395 L424 K427 L428	A353-I377 PolarHBondContact O-N 2.77Å; L354-I377 CarbonylContact C-O 3.6Å; L354-I377 VanDerWaalsContact CA-O 3.28Å; L354-I377 WeakPolarHBondContact CA-O 3.45Å; V355-I377 PolarHBondContact N-O 3.26Å; I377-V379 HydrophobicContact CG2-CG2 4.39Å; I377-V393 HydrophobicContact CG2-CG1 3.74Å; I377-V395 HydrophobicContact CG1-CG2 4.45Å; I377-L424 HydrophobicContact CD1-CD1 4.43Å; I377-L424 HydrophobicContact CG2-CD1 3.9Å; I377-K427 HydrophobicContact CD1-CB 4.03Å; I377-K427 HydrophobicContact CD1-CG 3.62Å; I377-L428 HydrophobicContact CD1-CD2 3.72Å; I377-L428 HydrophobicContact CD1-CG 3.91Å; I377-L428 HydrophobicContact CG1-CD2 4.32Å
378	V	98.3	Very high	87.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	130.3	-179.4	-172.2	0	0	0	0	108.9	T83 V84 V355 Q357 F363 V393 A394	T83-V378 HydrophobicContact CG2-CB 4.17Å; T83-V378 HydrophobicContact CG2-CG1 3.68Å; V84-V378 HydrophobicContact CG2-CB 4.21Å; V84-V378 HydrophobicContact CG2-CG2 3.78Å; V355-V378 HydrophobicContact CB-CG1 4.36Å; V355-V378 HydrophobicContact CB-CG2 4.18Å; V355-V378 HydrophobicContact CG2-CG2 4.46Å; V355-V378 WeakPolarHBondContact O-CA 3.38Å; Q357-V378 HydrophobicContact CG-CG1 3.86Å; F363-V378 HydrophobicContact CB-CG2 4.38Å; F363-V378 HydrophobicContact CD1-CG2 3.75Å; F363-V378 HydrophobicContact CE1-CG2 4.35Å; F363-V378 HydrophobicContact CG-CG2 4.14Å; V378-V393 WeakPolarHBondContact O-CA 3.49Å; V378-A394 HydrophobicContact CB-CB 4.48Å; V378-A394 PolarHBondContact N-O 2.99Å; V378-A394 PolarHBondContact O-N 2.94Å
379	V	97.9	Very high	87.8	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.5	-178.6	-177.2	0	0	0	0	109.3	F282 L354 V355 F356 Q357 I377 Y391 K392 F420	F282-V379 HydrophobicContact CD2-CG1 4.29Å; F282-V379 HydrophobicContact CE2-CB 4.43Å; F282-V379 HydrophobicContact CE2-CG1 3.85Å; F282-V379 HydrophobicContact CE2-CG2 4.36Å; F282-V379 HydrophobicContact CZ-CB 4.44Å; F282-V379 HydrophobicContact CZ-CG1 4.35Å; F282-V379 HydrophobicContact CZ-CG2 4.23Å; L354-V379 HydrophobicContact CD1-CG2 4.23Å; L354-V379 HydrophobicContact CD2-CB 4.41Å; L354-V379 HydrophobicContact CD2-CG2 4.02Å; L354-V379 HydrophobicContact CG-CG2 4.18Å; V355-V379 PolarHBondContact O-N 2.94Å; F356-V379 HydrophobicContact CD2-CB 4.42Å; F356-V379 HydrophobicContact CD2-CG1 4.32Å; F356-V379 HydrophobicContact CE2-CG1 4.45Å; Q357-V379 PolarHBondContact N-O 2.96Å; I377-V379 HydrophobicContact CG2-CG2 4.39Å; V379-Y391 HydrophobicContact CG1-CD1 3.78Å; V379-Y391 HydrophobicContact CG1-CG 4.21Å; V379-K392 WeakPolarHBondContact CA-O 3.38Å; V379-F420 HydrophobicContact CG1-CZ 4.14Å
380	T	96.3	Very high	87.8	Confident	7 Å²	7	46.7 Å²	46.7	4%	0.043	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.1	177	-35.1	0	0	0	0	109.2	Q357 Y391 K392	Q357-T380 HydrophobicContact CB-CG2 4.19Å; Q357-T380 PolarHBondContact OE1-OG1 3.48Å; T380-Y391 WeakPolarHBondContact O-CA 2.96Å; T380-K392 PolarHBondContact N-O 2.98Å; T380-K392 PolarHBondContact O-N 2.61Å
381	P	94.5	Very high	87.8	Confident	19 Å²	19	46.2 Å²	46.2	12%	0.123	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	135.8	174.2	30.4	-32.9	0	0	0	110.5	K278 F356 Q357 H390 Y391	K278-P381 HydrophobicContact CB-CG 4.35Å; K278-P381 HydrophobicContact CD-CG 3.87Å; F356-P381 HydrophobicContact CE1-CG 4.4Å; F356-P381 HydrophobicContact CZ-CB 4.37Å; F356-P381 HydrophobicContact CZ-CG 3.86Å; Q357-P381 WeakPolarHBondContact O-CD 3.31Å; P381-H390 CarbonylContact C-O 3.25Å; P381-H390 WeakPolarHBondContact CA-O 3.36Å; P381-Y391 HydrophobicContact CB-CD1 4.1Å; P381-Y391 HydrophobicContact CB-CE1 4.01Å
382	I	90.3	Very high	88	Confident	47 Å²	47	43.3 Å²	43.3	24%	0.241	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	115.7	170.6	-60.7	175.5	0	0	0	107.8	G384 H390 K392 I413	I382-G384 PolarHBondContact O-N 2.99Å; I382-H390 HydrophobicContact CB-CB 4.31Å; I382-H390 PolarHBondContact N-O 2.75Å; I382-H390 PolarHBondContact O-N 2.68Å; I382-H390 VanDerWaalsContact O-N 3.17Å; I382-K392 HydrophobicContact CD1-CB 3.93Å; I382-K392 HydrophobicContact CG1-CB 4.34Å; I382-I413 HydrophobicContact CD1-CD1 3.91Å; I382-I413 HydrophobicContact CD1-CG1 4.19Å
383	S	77.6	Confident	88.2	Confident	107 Å²	107	40.8 Å²	40.8	75%	0.748	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	108.9	164.7	-58.5	0	0	0	0	108.8
384	G	66	Low	88.2	Confident	30 Å²	30	40.8 Å²	40.8	31%	0.309	25%	0.247	S	C	.	.			trans	-82.9	173.8	170	0	0	0	0	0	112.3	I382 G386	I382-G384 PolarHBondContact O-N 2.99Å; G384-G386 PolarHBondContact O-N 3.33Å
385	N	58.3	Low	88.3	Confident	188 Å²	188	40.5 Å²	40.5	100%	1.005	25%	0.246	S	C	*	.	S	Bend	trans	-69.6	17.7	178	-69.2	-2.7	0	0	0	114.6
386	G	61.3	Low	88.2	Confident	51 Å²	51	40.5 Å²	40.5	53%	0.526	25%	0.246	S	C	.	.	S	Bend	trans	-152.5	168	179	0	0	0	0	0	111.1	G384 K388	G384-G386 PolarHBondContact O-N 3.33Å; G386-K388 PolarHBondContact O-N 3.28Å
387	S	68.8	Low	88.2	Confident	131 Å²	131	40.5 Å²	40.5	92%	0.916	25%	0.246	S	C	*	.	S	Bend	trans	-72.5	26.3	-168.4	75.5	0	0	0	0	116.1
388	K	79.4	Confident	88.1	Confident	153 Å²	153	42.8 Å²	42.8	67%	0.665	25%	0.254	S	S	*	.			trans	-112.2	108.1	177.5	-71.5	-174.8	177.8	-179.5	0	109.7	G386 H390	G386-K388 PolarHBondContact O-N 3.28Å; K388-H390 PolarHBondContact O-CE1 2.73Å; K388-H390 PolarHBondContact O-N 3.17Å; K388-H390 PolarHBondContact O-ND1 3.17Å
389	T	90.7	Very high	88	Confident	34 Å²	34	47.9 Å²	47.9	21%	0.209	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	127.1	170	-46.5	0	0	0	0	109.5	E281 Y391 K416	E281-T389 PolarHBondContact OE1-OG1 3.2Å; E281-T389 PolarHBondContact OE2-OG1 3.32Å; T389-Y391 HydrophobicContact CG2-CE1 4.12Å; T389-Y391 HydrophobicContact CG2-CE2 3.96Å; T389-K416 WeakPolarHBondContact O-CB 3.45Å; T389-K416 PolarHBondContact O-N 3.21Å
390	H	94.3	Very high	87.8	Confident	21 Å²	21	49.9 Å²	49.9	10%	0.097	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	158.7	170.9	-66.8	75.5	0	0	0	109.5	F108 P381 I382 K388 I413 F414 S415	F108-H390 AromaticContact CE1-NE2 3.62Å; P381-H390 CarbonylContact C-O 3.25Å; P381-H390 WeakPolarHBondContact CA-O 3.36Å; I382-H390 HydrophobicContact CB-CB 4.31Å; I382-H390 PolarHBondContact N-O 2.75Å; I382-H390 PolarHBondContact O-N 2.68Å; I382-H390 VanDerWaalsContact O-N 3.17Å; K388-H390 PolarHBondContact O-CE1 2.73Å; K388-H390 PolarHBondContact O-N 3.17Å; K388-H390 PolarHBondContact O-ND1 3.17Å; H390-I413 HydrophobicContact CB-CG2 4Å; H390-F414 CarbonylContact C-O 3.48Å; H390-F414 VanDerWaalsContact CA-O 3.27Å; H390-F414 WeakPolarHBondContact CA-O 3.3Å; H390-S415 PolarHBondContact NE2-OG 3.11Å
391	Y	95.7	Very high	87.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	122.9	179	-62.2	-80.9	0	0	0	110.1	F282 I285 F356 V379 T380 P381 T389 I413 F414 K416 F420	F282-Y391 HydrophobicContact CB-CE1 4.19Å; F282-Y391 HydrophobicContact CD2-CD1 4.32Å; F282-Y391 AromaticContact CD2-CE1 3.97Å; F282-Y391 HydrophobicContact CD2-CE1 3.97Å; F282-Y391 HydrophobicContact CG-CE1 4.46Å; I285-Y391 HydrophobicContact CD1-CD2 4.37Å; I285-Y391 HydrophobicContact CD1-CE2 3.38Å; I285-Y391 WeakPolarHBondContact CD1-OH 3.42Å; F356-Y391 HydrophobicContact CE2-CD1 4.41Å; F356-Y391 AromaticContact CE2-CE1 3.99Å; F356-Y391 HydrophobicContact CE2-CE1 3.99Å; V379-Y391 HydrophobicContact CG1-CD1 3.78Å; V379-Y391 HydrophobicContact CG1-CG 4.21Å; T380-Y391 WeakPolarHBondContact O-CA 2.96Å; P381-Y391 HydrophobicContact CB-CD1 4.1Å; P381-Y391 HydrophobicContact CB-CE1 4.01Å; T389-Y391 HydrophobicContact CG2-CE1 4.12Å; T389-Y391 HydrophobicContact CG2-CE2 3.96Å; Y391-I413 WeakPolarHBondContact O-CA 3.23Å; Y391-F414 PolarHBondContact N-O 3.21Å; Y391-F414 PolarHBondContact O-N 3.45Å; Y391-K416 HydrophobicContact CE2-CB 4.04Å; Y391-K416 HydrophobicContact CE2-CG 4.49Å; Y391-F420 HydrophobicContact CD1-CE1 4.37Å; Y391-F420 AromaticContact CD2-CD1 3.7Å; Y391-F420 HydrophobicContact CD2-CD1 3.7Å; Y391-F420 AromaticContact CD2-CE1 3.35Å; Y391-F420 HydrophobicContact CD2-CE1 3.35Å; Y391-F420 HydrophobicContact CD2-CZ 4.18Å; Y391-F420 HydrophobicContact CE2-CD1 4.27Å; Y391-F420 HydrophobicContact CE2-CE1 4.01Å; Y391-F420 HydrophobicContact CG-CD1 4.32Å; Y391-F420 AromaticContact CG-CE1 3.56Å; Y391-F420 HydrophobicContact CG-CE1 3.56Å; Y391-F420 AromaticContact CG-CZ 3.97Å; Y391-F420 HydrophobicContact CG-CZ 3.97Å
392	K	96	Very high	87.9	Confident	63 Å²	63	51.2 Å²	51.2	27%	0.274	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	137.1	165.7	-169.6	-174.1	-178.6	-170.4	0	108.5	T83 V379 T380 I382 P412	T83-K392 WeakPolarHBondContact OG1-CE 3.48Å; T83-K392 PolarHBondContact OG1-NZ 2.92Å; V379-K392 WeakPolarHBondContact CA-O 3.38Å; T380-K392 PolarHBondContact N-O 2.98Å; T380-K392 PolarHBondContact O-N 2.61Å; I382-K392 HydrophobicContact CD1-CB 3.93Å; I382-K392 HydrophobicContact CG1-CB 4.34Å; K392-P412 WeakPolarHBondContact CA-O 3.21Å; K392-P412 HydrophobicContact CG-CG 4.38Å
393	V	97.3	Very high	88.1	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	142.4	176.1	-174.1	0	0	0	0	110.3	I377 V378 L408 P412 F414 F420	I377-V393 HydrophobicContact CG2-CG1 3.74Å; V378-V393 WeakPolarHBondContact O-CA 3.49Å; V393-L408 HydrophobicContact CB-CD2 3.79Å; V393-L408 HydrophobicContact CG1-CD2 3.78Å; V393-P412 PolarHBondContact N-O 2.96Å; V393-P412 WeakPolarHBondContact O-CB 3.29Å; V393-F414 HydrophobicContact CB-CD2 4.47Å; V393-F414 HydrophobicContact CB-CE2 4.12Å; V393-F414 HydrophobicContact CG2-CD2 3.65Å; V393-F414 HydrophobicContact CG2-CE2 3.68Å; V393-F420 HydrophobicContact CG2-CE2 3.72Å; V393-F420 HydrophobicContact CG2-CZ 4.28Å
394	A	97.6	Very high	89	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	159.8	165.1	0	0	0	0	0	109.8	T83 V84 D95 T96 V378	T83-A394 HydrophobicContact CG2-CB 3.94Å; V84-A394 HydrophobicContact CG2-CB 3.63Å; D95-A394 CarbonylContact O-C 3.59Å; D95-A394 WeakPolarHBondContact O-CA 3.14Å; T96-A394 HydrophobicContact CG2-CB 3.82Å; V378-A394 HydrophobicContact CB-CB 4.48Å; V378-A394 PolarHBondContact N-O 2.99Å; V378-A394 PolarHBondContact O-N 2.94Å
395	V	98.1	Very high	90.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	140.3	179.6	-179.1	0	0	0	0	109.2	W93 I94 D95 Y376 I377 F404	W93-V395 HydrophobicContact CH2-CG1 4.06Å; W93-V395 HydrophobicContact CZ3-CG1 3.96Å; I94-V395 CarbonylContact C-O 3.57Å; I94-V395 WeakPolarHBondContact CA-O 3.46Å; D95-V395 HydrophobicContact CB-CB 4.35Å; D95-V395 PolarHBondContact N-O 3.12Å; D95-V395 PolarHBondContact O-N 2.86Å; Y376-V395 WeakPolarHBondContact O-CA 3.45Å; I377-V395 HydrophobicContact CG1-CG2 4.45Å; V395-F404 HydrophobicContact CG1-CE1 4.49Å; V395-F404 HydrophobicContact CG1-CE2 4.01Å; V395-F404 HydrophobicContact CG1-CZ 3.55Å
396	A	97.6	Very high	92	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	135.2	168.3	0	0	0	0	0	109.4	V84 W93 I94 P365 A375 Y376	V84-A396 HydrophobicContact CG1-CB 3.99Å; W93-A396 WeakPolarHBondContact O-CA 3.16Å; I94-A396 HydrophobicContact CG1-CB 4.14Å; P365-A396 HydrophobicContact CG-CB 3.68Å; A375-A396 CarbonylContact C-O 3.54Å; A375-A396 WeakPolarHBondContact CA-O 3.38Å; Y376-A396 PolarHBondContact N-O 2.87Å; Y376-A396 PolarHBondContact O-N 3.14Å
397	A	97.8	Very high	93.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	155.9	174.5	0	0	0	0	0	111.2	Y92 W93 H374 A375 V401 F404	Y92-A397 CarbonylContact C-O 3.59Å; Y92-A397 WeakPolarHBondContact CA-O 3.34Å; Y92-A397 WeakPolarHBondContact CB-O 3.48Å; Y92-A397 VanDerWaalsContact CD1-C 3.5Å; W93-A397 HydrophobicContact CD2-CB 4.44Å; W93-A397 HydrophobicContact CH2-CB 4.27Å; W93-A397 HydrophobicContact CZ2-CB 3.7Å; W93-A397 PolarHBondContact N-O 2.98Å; W93-A397 PolarHBondContact O-N 2.81Å; H374-A397 CarbonylContact O-C 3.5Å; H374-A397 WeakPolarHBondContact O-CA 3.48Å; H374-A397 WeakPolarHBondContact O-CB 3.49Å; A375-A397 HydrophobicContact CB-CB 3.73Å; A397-V401 HydrophobicContact CB-CB 4.05Å; A397-V401 HydrophobicContact CB-CG1 4.09Å; A397-V401 HydrophobicContact CB-CG2 4.35Å; A397-F404 HydrophobicContact CB-CE1 4.11Å
398	R	96.4	Very high	94.8	Very high	48 Å²	48	35.7 Å²	35.7	18%	0.181	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	151.3	-175.9	-73.7	-175.4	176.1	145	3.4	112	G91 Y92 W93 S370 L373 H374 D400 V401	G91-R398 CarbonylContact O-C 3.51Å; G91-R398 VanDerWaalsContact O-CA 3.26Å; G91-R398 WeakPolarHBondContact O-CA 3.32Å; Y92-R398 HydrophobicContact CD1-CB 4.46Å; Y92-R398 HydrophobicContact CD1-CG 3.8Å; Y92-R398 HydrophobicContact CE1-CB 4.45Å; Y92-R398 HydrophobicContact CE1-CG 3.37Å; Y92-R398 HydrophobicContact CE2-CG 4.45Å; Y92-R398 HydrophobicContact CG-CG 4.48Å; Y92-R398 PolarHBondContact OH-NE 2.95Å; Y92-R398 PolarHBondContact OH-NH2 2.83Å; W93-R398 PolarHBondContact NE1-O 3.29Å; S370-R398 PolarHBondContact O-NH2 3.34Å; L373-R398 VanDerWaalsContact O-CZ 3.23Å; L373-R398 PolarHBondContact O-NH1 2.67Å; L373-R398 PolarHBondContact O-NH2 3.03Å; H374-R398 PolarHBondContact CE1-NH1 2.93Å; H374-R398 PolarHBondContact ND1-NH1 3.11Å; H374-R398 PolarHBondContact NE2-NH1 3.48Å; H374-R398 PolarHBondContact O-N 2.89Å; R398-D400 PolarHBondContact O-N 3.24Å; R398-V401 HydrophobicContact CB-CG2 4.15Å; R398-V401 VanDerWaalsContact O-CB 3.31Å; R398-V401 WeakPolarHBondContact O-CB 3.31Å; R398-V401 PolarHBondContact O-N 3.07Å
399	D	95.4	Very high	95.5	Very high	107 Å²	107	30.8 Å²	30.8	57%	0.572	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-21.5	-174.3	-80	-32.1	0	0	0	115.1	G91 Y92	G91-D399 VanDerWaalsContact C-CG 3.41Å; G91-D399 WeakPolarHBondContact CA-OD2 3.41Å; G91-D399 PolarHBondContact N-OD2 3.13Å; G91-D399 PolarHBondContact O-N 2.96Å; Y92-D399 PolarHBondContact N-OD2 3.26Å
400	D	94.7	Very high	95.5	Very high	41 Å²	41	36 Å²	36	22%	0.219	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	1.3	174.6	68.2	-20.4	0	0	0	114.7	R398 A438 R439	R398-D400 PolarHBondContact O-N 3.24Å; D400-A438 WeakPolarHBondContact O-CA 3.47Å; D400-R439 HydrophobicContact CB-CG 4.36Å; D400-R439 VanDerWaalsContact OD2-CB 3.3Å; D400-R439 WeakPolarHBondContact OD2-CB 3.14Å; D400-R439 WeakPolarHBondContact OD2-CG 3.34Å; D400-R439 IonicContact OD2-CZ 2.69Å; D400-R439 PolarHBondContact OD2-N 3.31Å; D400-R439 IonicContact OD2-NE 2.76Å; D400-R439 PolarHBondContact OD2-NE 2.88Å; D400-R439 IonicContact OD2-NH2 2.69Å; D400-R439 PolarHBondContact OD2-NH2 3.17Å
401	V	96.6	Very high	95.4	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.018	21%	0.208	C	C	.	.	S	Bend	trans	-80.8	118.8	163.6	-176.3	0	0	0	0	108.1	W93 H374 A397 R398 F404 A434 A438	W93-V401 PolarHBondContact NE1-O 2.69Å; H374-V401 HydrophobicContact CB-CG2 3.91Å; A397-V401 HydrophobicContact CB-CB 4.05Å; A397-V401 HydrophobicContact CB-CG1 4.09Å; A397-V401 HydrophobicContact CB-CG2 4.35Å; R398-V401 HydrophobicContact CB-CG2 4.15Å; R398-V401 VanDerWaalsContact O-CB 3.31Å; R398-V401 WeakPolarHBondContact O-CB 3.31Å; R398-V401 PolarHBondContact O-N 3.07Å; V401-F404 HydrophobicContact CG1-CD1 4.27Å; V401-F404 HydrophobicContact CG1-CE1 4.17Å; V401-A434 HydrophobicContact CG1-CB 3.93Å; V401-A438 HydrophobicContact CG2-CB 4Å
402	P	95.1	Very high	95.4	Very high	52 Å²	52	38.7 Å²	38.7	34%	0.338	21%	0.209	S	C	.	.	P	Polyproline II helix	trans	-68.5	155.1	175	28.6	-33.6	0	0	0	111.2	A434 K437	P402-A434 WeakPolarHBondContact CD-O 3.47Å; P402-A434 HydrophobicContact CG-CB 4.2Å; P402-K437 HydrophobicContact CG-CB 3.99Å; P402-K437 HydrophobicContact CG-CD 3.66Å; P402-K437 HydrophobicContact CG-CG 4.44Å
403	F	95.7	Very high	95.4	Very high	108 Å²	108	38.7 Å²	38.7	47%	0.474	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-56.4	141.5	174.6	-177.1	-90.2	0	0	0	111.7	W93 T407	W93-F403 HydrophobicContact CH2-CD2 4.03Å; W93-F403 HydrophobicContact CZ3-CD2 4.09Å; W93-F403 HydrophobicContact CZ3-CE2 4.5Å; F403-T407 HydrophobicContact CE1-CG2 4.03Å; F403-T407 HydrophobicContact CZ-CG2 4Å
404	F	96.1	Very high	95.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.217	C	C	.	.			trans	-131.8	136.5	-177.4	50.7	-93.5	0	0	0	111.7	W93 A375 V395 A397 V401 K427 N430 A431 A434	W93-F404 AromaticContact CH2-CD1 3.96Å; W93-F404 HydrophobicContact CH2-CD1 3.96Å; W93-F404 AromaticContact CH2-CE1 3.5Å; W93-F404 HydrophobicContact CH2-CE1 3.5Å; W93-F404 VanDerWaalsContact CH2-CE1 3.5Å; W93-F404 AromaticContact CH2-CZ 3.92Å; W93-F404 HydrophobicContact CH2-CZ 3.92Å; W93-F404 AromaticContact CZ2-CD1 3.9Å; W93-F404 HydrophobicContact CZ2-CD1 3.9Å; W93-F404 AromaticContact CZ2-CE1 3.54Å; W93-F404 HydrophobicContact CZ2-CE1 3.54Å; W93-F404 HydrophobicContact CZ2-CZ 4.37Å; A375-F404 HydrophobicContact CB-CE1 4.41Å; A375-F404 HydrophobicContact CB-CZ 4.28Å; V395-F404 HydrophobicContact CG1-CE1 4.49Å; V395-F404 HydrophobicContact CG1-CE2 4.01Å; V395-F404 HydrophobicContact CG1-CZ 3.55Å; A397-F404 HydrophobicContact CB-CE1 4.11Å; V401-F404 HydrophobicContact CG1-CD1 4.27Å; V401-F404 HydrophobicContact CG1-CE1 4.17Å; F404-K427 HydrophobicContact CD2-CD 3.91Å; F404-K427 HydrophobicContact CD2-CG 4.47Å; F404-K427 HydrophobicContact CE2-CD 3.97Å; F404-K427 HydrophobicContact CE2-CG 4.19Å; F404-K427 PolarHBondContact O-NZ 3.42Å; F404-N430 HydrophobicContact CB-CB 4.19Å; F404-A431 HydrophobicContact CD1-CB 4.4Å; F404-A431 HydrophobicContact CD2-CB 3.84Å; F404-A431 HydrophobicContact CE1-CB 4Å; F404-A431 HydrophobicContact CE2-CB 3.39Å; F404-A431 HydrophobicContact CG-CB 4.33Å; F404-A431 HydrophobicContact CZ-CB 3.48Å; F404-A431 VanDerWaalsContact CZ-CB 3.48Å; F404-A434 HydrophobicContact CB-CB 3.87Å; F404-A434 HydrophobicContact CD1-CB 3.74Å; F404-A434 HydrophobicContact CG-CB 4.17Å
405	G	91.7	Very high	95.1	Very high	12 Å²	12	43.3 Å²	43.3	12%	0.124	24%	0.24	C	C	.	.	S	Bend	trans	-81.4	174.6	176.6	0	0	0	0	0	113.5	E122 N430	E122-G405 WeakPolarHBondContact OE1-CA 3.48Å; E122-G405 PolarHBondContact OE1-N 2.87Å; G405-N430 WeakPolarHBondContact O-CB 3.48Å; G405-N430 PolarHBondContact O-ND2 3.41Å
406	P	95.7	Very high	94.9	Very high	24 Å²	24	47.2 Å²	47.2	16%	0.156	26%	0.257	C	S	.	.	S	Bend	cis	-62.1	151.8	-8.3	25.2	-34.7	0	0	0	112.9	F423 K427	P406-F423 HydrophobicContact CB-CD2 3.91Å; P406-F423 HydrophobicContact CB-CE2 3.74Å; P406-F423 HydrophobicContact CG-CD2 3.41Å; P406-F423 VanDerWaalsContact CG-CD2 3.41Å; P406-F423 HydrophobicContact CG-CE2 3.42Å; P406-F423 VanDerWaalsContact CG-CE2 3.42Å; P406-F423 HydrophobicContact CG-CG 4.14Å; P406-F423 HydrophobicContact CG-CZ 4.13Å; P406-K427 HydrophobicContact CG-CB 4.47Å; P406-K427 HydrophobicContact CG-CD 4.44Å; P406-K427 VanDerWaalsContact O-CD 3.26Å; P406-K427 WeakPolarHBondContact O-CD 3.37Å; P406-K427 WeakPolarHBondContact O-CE 3.44Å; P406-K427 PolarHBondContact O-NZ 2.96Å
407	T	94.7	Very high	94.6	Very high	68 Å²	68	48.9 Å²	48.9	42%	0.417	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-65.5	144.9	173.8	47.7	0	0	0	0	110.8	F403 F423	F403-T407 HydrophobicContact CE1-CG2 4.03Å; F403-T407 HydrophobicContact CZ-CG2 4Å; T407-F423 WeakPolarHBondContact O-CE2 3.49Å
408	L	95	Very high	94.5	Very high	15 Å²	15	54.4 Å²	54.4	8%	0.079	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-62.6	143.7	169.3	-75.1	176.3	0	0	0	110.5	D95 V393 P412 F414 F423	D95-L408 HydrophobicContact CB-CD1 4.45Å; D95-L408 WeakPolarHBondContact O-CD1 3.34Å; V393-L408 HydrophobicContact CB-CD2 3.79Å; V393-L408 HydrophobicContact CG1-CD2 3.78Å; L408-P412 HydrophobicContact CB-CB 4.29Å; L408-P412 HydrophobicContact CD1-CB 4.14Å; L408-P412 HydrophobicContact CD2-CB 4.3Å; L408-P412 HydrophobicContact CG-CB 4.5Å; L408-F414 HydrophobicContact CD2-CE2 4.2Å; L408-F423 HydrophobicContact CD2-CE1 4.19Å; L408-F423 HydrophobicContact CD2-CZ 3.77Å
409	P	93.5	Very high	94.4	Very high	50 Å²	50	59.7 Å²	59.7	33%	0.325	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-69.8	167.8	167.4	28.8	-30.8	0	0	0	110.7	P411 P412 F414	P409-P411 CarbonylContact C-O 3.59Å; P409-P411 VanDerWaalsContact C-O 3.25Å; P409-P411 CarbonylContact O-C 3.15Å; P409-P412 VanDerWaalsContact O-CA 3.28Å; P409-P412 WeakPolarHBondContact O-CA 3.16Å; P409-F414 HydrophobicContact CG-CE1 4.04Å; P409-F414 HydrophobicContact CG-CE2 3.92Å; P409-F414 HydrophobicContact CG-CZ 3.61Å
410	M	90.6	Very high	94.4	Very high	144 Å²	144	54.7 Å²	54.7	71%	0.709	30%	0.3	S	S	*	.	S	Bend	trans	-120.8	110.1	173.7	-68	170.1	70.8	0	0	108.2	S98	S98-M410 VanDerWaalsContact O-CE 3.3Å; S98-M410 WeakPolarHBondContact O-CE 3.46Å
411	P	92.8	Very high	94.6	Very high	73 Å²	73	54.5 Å²	54.5	47%	0.474	30%	0.296	S	S	.	.	S	Bend	cis	-68.4	162.3	-4	32.1	-37.3	0	0	0	113	P409 I413	P409-P411 CarbonylContact C-O 3.59Å; P409-P411 VanDerWaalsContact C-O 3.25Å; P409-P411 CarbonylContact O-C 3.15Å; P411-I413 HydrophobicContact CB-CD1 4.06Å; P411-I413 HydrophobicContact CB-CG1 4.18Å; P411-I413 HydrophobicContact CG-CD1 4.22Å; P411-I413 HydrophobicContact CG-CG1 4.46Å; P411-I413 PolarHBondContact O-N 3.18Å
412	P	95.1	Very high	94.6	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.032	31%	0.308	C	S	.	.			trans	-81.3	47.6	-176.1	38	-41.6	0	0	0	112.1	T96 K392 V393 L408 P409	T96-P412 WeakPolarHBondContact O-CG 3.49Å; K392-P412 WeakPolarHBondContact CA-O 3.21Å; K392-P412 HydrophobicContact CG-CG 4.38Å; V393-P412 PolarHBondContact N-O 2.96Å; V393-P412 WeakPolarHBondContact O-CB 3.29Å; L408-P412 HydrophobicContact CB-CB 4.29Å; L408-P412 HydrophobicContact CD1-CB 4.14Å; L408-P412 HydrophobicContact CD2-CB 4.3Å; L408-P412 HydrophobicContact CG-CB 4.5Å; P409-P412 VanDerWaalsContact O-CA 3.28Å; P409-P412 WeakPolarHBondContact O-CA 3.16Å
413	I	94.9	Very high	94.7	Very high	62 Å²	62	54.9 Å²	54.9	32%	0.318	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.8	-171	-59.9	173.7	0	0	0	109.1	I382 H390 Y391 P411	I382-I413 HydrophobicContact CD1-CD1 3.91Å; I382-I413 HydrophobicContact CD1-CG1 4.19Å; H390-I413 HydrophobicContact CB-CG2 4Å; Y391-I413 WeakPolarHBondContact O-CA 3.23Å; P411-I413 HydrophobicContact CB-CD1 4.06Å; P411-I413 HydrophobicContact CB-CG1 4.18Å; P411-I413 HydrophobicContact CG-CD1 4.22Å; P411-I413 HydrophobicContact CG-CG1 4.46Å; P411-I413 PolarHBondContact O-N 3.18Å
414	F	95.1	Very high	94.8	Very high	30 Å²	30	49.7 Å²	49.7	13%	0.132	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.6	180	-61	-98.7	0	0	0	110.6	H390 Y391 V393 L408 P409 F420 F423	H390-F414 CarbonylContact C-O 3.48Å; H390-F414 VanDerWaalsContact CA-O 3.27Å; H390-F414 WeakPolarHBondContact CA-O 3.3Å; Y391-F414 PolarHBondContact N-O 3.21Å; Y391-F414 PolarHBondContact O-N 3.45Å; V393-F414 HydrophobicContact CB-CD2 4.47Å; V393-F414 HydrophobicContact CB-CE2 4.12Å; V393-F414 HydrophobicContact CG2-CD2 3.65Å; V393-F414 HydrophobicContact CG2-CE2 3.68Å; L408-F414 HydrophobicContact CD2-CE2 4.2Å; P409-F414 HydrophobicContact CG-CE1 4.04Å; P409-F414 HydrophobicContact CG-CE2 3.92Å; P409-F414 HydrophobicContact CG-CZ 3.61Å; F414-F420 HydrophobicContact CB-CB 3.99Å; F414-F420 HydrophobicContact CB-CD2 3.51Å; F414-F420 HydrophobicContact CB-CE2 4.17Å; F414-F420 HydrophobicContact CB-CG 3.81Å; F414-F420 AromaticContact CD1-CD2 3.98Å; F414-F420 HydrophobicContact CD1-CD2 3.98Å; F414-F420 AromaticContact CD2-CD2 3.96Å; F414-F420 HydrophobicContact CD2-CD2 3.96Å; F414-F420 HydrophobicContact CD2-CE2 4.09Å; F414-F420 AromaticContact CG-CD2 3.56Å; F414-F420 HydrophobicContact CG-CD2 3.56Å; F414-F420 HydrophobicContact CG-CE2 4.15Å; F414-F420 HydrophobicContact CG-CG 4.3Å; F414-F423 HydrophobicContact CE1-CB 4.04Å; F414-F423 AromaticContact CE1-CD1 3.89Å; F414-F423 HydrophobicContact CE1-CD1 3.89Å; F414-F423 AromaticContact CE1-CD2 3.72Å; F414-F423 HydrophobicContact CE1-CD2 3.72Å; F414-F423 HydrophobicContact CE1-CE1 4.35Å; F414-F423 HydrophobicContact CE1-CE2 4.17Å; F414-F423 AromaticContact CE1-CG 3.59Å; F414-F423 HydrophobicContact CE1-CG 3.59Å; F414-F423 HydrophobicContact CE1-CZ 4.5Å; F414-F423 HydrophobicContact CE2-CD1 4.18Å; F414-F423 HydrophobicContact CE2-CE1 4.02Å; F414-F423 HydrophobicContact CE2-CZ 4.32Å; F414-F423 AromaticContact CZ-CD1 3.55Å; F414-F423 HydrophobicContact CZ-CD1 3.55Å; F414-F423 AromaticContact CZ-CD2 3.66Å; F414-F423 HydrophobicContact CZ-CD2 3.66Å; F414-F423 AromaticContact CZ-CE1 3.56Å; F414-F423 HydrophobicContact CZ-CE1 3.56Å; F414-F423 AromaticContact CZ-CE2 3.64Å; F414-F423 HydrophobicContact CZ-CE2 3.64Å; F414-F423 AromaticContact CZ-CG 3.64Å; F414-F423 HydrophobicContact CZ-CG 3.64Å; F414-F423 AromaticContact CZ-CZ 3.63Å; F414-F423 HydrophobicContact CZ-CZ 3.63Å
415	S	94	Very high	94.9	Very high	67 Å²	67	49.7 Å²	49.7	47%	0.469	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	147.1	166.9	-57.6	0	0	0	0	110.7	H390 G417	H390-S415 PolarHBondContact NE2-OG 3.11Å; S415-G417 PolarHBondContact O-N 3.37Å
416	K	93.4	Very high	95.2	Very high	82 Å²	82	49.1 Å²	49.1	36%	0.357	27%	0.266	S	S	.	.	S	Bend	trans	-54.1	123.4	167	179.3	171.5	-170.9	-169.8	0	110.3	E281 E284 I285 T389 Y391	E281-K416 HydrophobicContact CG-CD 4.26Å; E281-K416 WeakPolarHBondContact OE1-CD 3.37Å; E281-K416 WeakPolarHBondContact OE1-CE 3.22Å; E281-K416 IonicContact OE1-NZ 2.69Å; E281-K416 PolarHBondContact OE1-NZ 3.12Å; E284-K416 IonicContact OE2-NZ 3.29Å; I285-K416 HydrophobicContact CD1-CB 4.45Å; I285-K416 HydrophobicContact CD1-CD 4.07Å; I285-K416 HydrophobicContact CD1-CG 3.72Å; I285-K416 HydrophobicContact CG1-CG 4.23Å; T389-K416 WeakPolarHBondContact O-CB 3.45Å; T389-K416 PolarHBondContact O-N 3.21Å; Y391-K416 HydrophobicContact CE2-CB 4.04Å; Y391-K416 HydrophobicContact CE2-CG 4.49Å
417	G	92.3	Very high	95.3	Very high	36 Å²	36	48 Å²	48	37%	0.371	26%	0.259	S	S	.	.	S	Bend	trans	164.5	179.8	177.4	0	0	0	0	0	114.3	S415 E419 F420 R421	S415-G417 PolarHBondContact O-N 3.37Å; G417-E419 VanDerWaalsContact C-N 3.27Å; G417-E419 PolarHBondContact O-N 2.86Å; G417-F420 PolarHBondContact O-N 3.14Å; G417-R421 PolarHBondContact O-N 2.94Å
418	Q	94.6	Very high	95.5	Very high	116 Å²	116	44.8 Å²	44.8	54%	0.542	24%	0.239	S	C	.	.	H	α-helix	trans	-63.3	-30.1	-176.6	-172.4	60.5	40.1	0	0	113.2	R421 N422	Q418-R421 PolarHBondContact O-N 3.38Å; Q418-N422 PolarHBondContact NE2-OD1 3.43Å; Q418-N422 VanDerWaalsContact O-CB 3.31Å; Q418-N422 WeakPolarHBondContact O-CB 3.4Å; Q418-N422 PolarHBondContact O-N 2.89Å; Q418-N422 PolarHBondContact O-ND2 3.28Å; Q418-N422 PolarHBondContact O-OD1 3.36Å
419	E	94.7	Very high	95.5	Very high	159 Å²	159	44 Å²	44	74%	0.743	24%	0.235	S	C	*	.	H	α-helix	trans	-65.1	-42.6	176.6	-61.4	-169.3	137.4	0	0	111.8	G417 N422 F423	G417-E419 VanDerWaalsContact C-N 3.27Å; G417-E419 PolarHBondContact O-N 2.86Å; E419-N422 PolarHBondContact O-N 3.34Å; E419-F423 WeakPolarHBondContact O-CB 3.29Å; E419-F423 PolarHBondContact O-N 3.45Å
420	F	96.4	Very high	95.7	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-63.9	-43.8	174.5	179.1	-134.6	0	0	0	111.7	F282 I285 V379 Y391 V393 F414 G417 N422 F423 L424	F282-F420 HydrophobicContact CD2-CE1 4.24Å; F282-F420 AromaticContact CE2-CE1 3.97Å; F282-F420 HydrophobicContact CE2-CE1 3.97Å; F282-F420 HydrophobicContact CE2-CZ 4.11Å; I285-F420 HydrophobicContact CD1-CD1 4.43Å; I285-F420 HydrophobicContact CG2-CD1 4.01Å; I285-F420 HydrophobicContact CG2-CE1 4.46Å; V379-F420 HydrophobicContact CG1-CZ 4.14Å; Y391-F420 HydrophobicContact CD1-CE1 4.37Å; Y391-F420 AromaticContact CD2-CD1 3.7Å; Y391-F420 HydrophobicContact CD2-CD1 3.7Å; Y391-F420 AromaticContact CD2-CE1 3.35Å; Y391-F420 HydrophobicContact CD2-CE1 3.35Å; Y391-F420 HydrophobicContact CD2-CZ 4.18Å; Y391-F420 HydrophobicContact CE2-CD1 4.27Å; Y391-F420 HydrophobicContact CE2-CE1 4.01Å; Y391-F420 HydrophobicContact CG-CD1 4.32Å; Y391-F420 AromaticContact CG-CE1 3.56Å; Y391-F420 HydrophobicContact CG-CE1 3.56Å; Y391-F420 AromaticContact CG-CZ 3.97Å; Y391-F420 HydrophobicContact CG-CZ 3.97Å; V393-F420 HydrophobicContact CG2-CE2 3.72Å; V393-F420 HydrophobicContact CG2-CZ 4.28Å; F414-F420 HydrophobicContact CB-CB 3.99Å; F414-F420 HydrophobicContact CB-CD2 3.51Å; F414-F420 HydrophobicContact CB-CE2 4.17Å; F414-F420 HydrophobicContact CB-CG 3.81Å; F414-F420 AromaticContact CD1-CD2 3.98Å; F414-F420 HydrophobicContact CD1-CD2 3.98Å; F414-F420 AromaticContact CD2-CD2 3.96Å; F414-F420 HydrophobicContact CD2-CD2 3.96Å; F414-F420 HydrophobicContact CD2-CE2 4.09Å; F414-F420 AromaticContact CG-CD2 3.56Å; F414-F420 HydrophobicContact CG-CD2 3.56Å; F414-F420 HydrophobicContact CG-CE2 4.15Å; F414-F420 HydrophobicContact CG-CG 4.3Å; G417-F420 PolarHBondContact O-N 3.14Å; F420-N422 PolarHBondContact O-N 2.9Å; F420-F423 PolarHBondContact O-N 2.83Å; F420-L424 HydrophobicContact CE1-CD2 4.38Å; F420-L424 HydrophobicContact CE2-CB 4.38Å; F420-L424 HydrophobicContact CE2-CD2 4.16Å; F420-L424 HydrophobicContact CZ-CD2 3.88Å; F420-L424 WeakPolarHBondContact O-CB 3.25Å; F420-L424 PolarHBondContact O-N 3.09Å
421	R	97.5	Very high	96	Very high	37 Å²	37	34.9 Å²	34.9	14%	0.14	19%	0.186	C	C	.	.	H	α-helix	trans	-56.8	-48.4	171.8	-178.2	176.5	-172	133.3	-18.8	111.6	E284 I285 D288 T316 G417 Q418 F423 L424 L425	E284-R421 PolarHBondContact O-NH1 2.89Å; E284-R421 VanDerWaalsContact O-NH1 3.08Å; I285-R421 HydrophobicContact CG2-CB 4.05Å; I285-R421 WeakPolarHBondContact O-CD 3.23Å; I285-R421 WeakPolarHBondContact O-CG 3.23Å; I285-R421 PolarHBondContact O-NE 2.78Å; I285-R421 PolarHBondContact O-NH1 2.99Å; D288-R421 IonicContact OD2-NH2 2.79Å; T316-R421 PolarHBondContact OG1-NH2 2.83Å; G417-R421 PolarHBondContact O-N 2.94Å; Q418-R421 PolarHBondContact O-N 3.38Å; R421-F423 PolarHBondContact O-N 3.28Å; R421-L424 PolarHBondContact O-N 3.41Å; R421-L425 HydrophobicContact CG-CD1 3.66Å; R421-L425 HydrophobicContact CG-CG 4.17Å; R421-L425 WeakPolarHBondContact O-CB 3.2Å; R421-L425 WeakPolarHBondContact O-CG 3.25Å; R421-L425 PolarHBondContact O-N 2.99Å
422	N	97.4	Very high	96.2	Very high	48 Å²	48	31.8 Å²	31.8	26%	0.257	17%	0.166	S	C	.	.	H	α-helix	trans	-62.7	-40.6	-179.6	-73.2	-15.2	0	0	0	112.5	Q418 E419 F420 T426	Q418-N422 PolarHBondContact NE2-OD1 3.43Å; Q418-N422 VanDerWaalsContact O-CB 3.31Å; Q418-N422 WeakPolarHBondContact O-CB 3.4Å; Q418-N422 PolarHBondContact O-N 2.89Å; Q418-N422 PolarHBondContact O-ND2 3.28Å; Q418-N422 PolarHBondContact O-OD1 3.36Å; E419-N422 PolarHBondContact O-N 3.34Å; F420-N422 PolarHBondContact O-N 2.9Å; N422-T426 WeakPolarHBondContact O-CB 3.48Å; N422-T426 PolarHBondContact O-N 2.76Å; N422-T426 PolarHBondContact O-OG1 2.85Å
423	F	97.3	Very high	96.1	Very high	14 Å²	14	32.6 Å²	32.6	6%	0.061	17%	0.169	C	C	.	.	H	α-helix	trans	-61	-56.7	172.6	173.8	-86.8	0	0	0	110.3	P406 T407 L408 F414 E419 F420 R421 T426 K427	P406-F423 HydrophobicContact CB-CD2 3.91Å; P406-F423 HydrophobicContact CB-CE2 3.74Å; P406-F423 HydrophobicContact CG-CD2 3.41Å; P406-F423 VanDerWaalsContact CG-CD2 3.41Å; P406-F423 HydrophobicContact CG-CE2 3.42Å; P406-F423 VanDerWaalsContact CG-CE2 3.42Å; P406-F423 HydrophobicContact CG-CG 4.14Å; P406-F423 HydrophobicContact CG-CZ 4.13Å; T407-F423 WeakPolarHBondContact O-CE2 3.49Å; L408-F423 HydrophobicContact CD2-CE1 4.19Å; L408-F423 HydrophobicContact CD2-CZ 3.77Å; F414-F423 HydrophobicContact CE1-CB 4.04Å; F414-F423 AromaticContact CE1-CD1 3.89Å; F414-F423 HydrophobicContact CE1-CD1 3.89Å; F414-F423 AromaticContact CE1-CD2 3.72Å; F414-F423 HydrophobicContact CE1-CD2 3.72Å; F414-F423 HydrophobicContact CE1-CE1 4.35Å; F414-F423 HydrophobicContact CE1-CE2 4.17Å; F414-F423 AromaticContact CE1-CG 3.59Å; F414-F423 HydrophobicContact CE1-CG 3.59Å; F414-F423 HydrophobicContact CE1-CZ 4.5Å; F414-F423 HydrophobicContact CE2-CD1 4.18Å; F414-F423 HydrophobicContact CE2-CE1 4.02Å; F414-F423 HydrophobicContact CE2-CZ 4.32Å; F414-F423 AromaticContact CZ-CD1 3.55Å; F414-F423 HydrophobicContact CZ-CD1 3.55Å; F414-F423 AromaticContact CZ-CD2 3.66Å; F414-F423 HydrophobicContact CZ-CD2 3.66Å; F414-F423 AromaticContact CZ-CE1 3.56Å; F414-F423 HydrophobicContact CZ-CE1 3.56Å; F414-F423 AromaticContact CZ-CE2 3.64Å; F414-F423 HydrophobicContact CZ-CE2 3.64Å; F414-F423 AromaticContact CZ-CG 3.64Å; F414-F423 HydrophobicContact CZ-CG 3.64Å; F414-F423 AromaticContact CZ-CZ 3.63Å; F414-F423 HydrophobicContact CZ-CZ 3.63Å; E419-F423 WeakPolarHBondContact O-CB 3.29Å; E419-F423 PolarHBondContact O-N 3.45Å; F420-F423 PolarHBondContact O-N 2.83Å; R421-F423 PolarHBondContact O-N 3.28Å; F423-T426 PolarHBondContact O-N 3.47Å; F423-K427 HydrophobicContact CE1-CB 4.22Å; F423-K427 HydrophobicContact CE1-CG 4.31Å; F423-K427 HydrophobicContact CZ-CD 4.27Å; F423-K427 HydrophobicContact CZ-CG 4.41Å; F423-K427 WeakPolarHBondContact O-CB 3.31Å; F423-K427 PolarHBondContact O-N 2.77Å
424	L	98	Very high	96.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.2	-46.4	-168.8	-175.3	57.9	0	0	0	112.6	F282 L286 L354 I377 F420 R421 T426 K427 L428	F282-L424 HydrophobicContact CE2-CD2 3.81Å; F282-L424 HydrophobicContact CZ-CD2 3.87Å; L286-L424 HydrophobicContact CD2-CD2 3.64Å; L286-L424 HydrophobicContact CD2-CG 4.26Å; L354-L424 HydrophobicContact CD1-CD1 3.9Å; L354-L424 HydrophobicContact CD1-CD2 3.96Å; L354-L424 HydrophobicContact CD1-CG 4.17Å; I377-L424 HydrophobicContact CD1-CD1 4.43Å; I377-L424 HydrophobicContact CG2-CD1 3.9Å; F420-L424 HydrophobicContact CE1-CD2 4.38Å; F420-L424 HydrophobicContact CE2-CB 4.38Å; F420-L424 HydrophobicContact CE2-CD2 4.16Å; F420-L424 HydrophobicContact CZ-CD2 3.88Å; F420-L424 WeakPolarHBondContact O-CB 3.25Å; F420-L424 PolarHBondContact O-N 3.09Å; R421-L424 PolarHBondContact O-N 3.41Å; L424-T426 VanDerWaalsContact C-N 3.29Å; L424-T426 PolarHBondContact O-N 2.97Å; L424-K427 PolarHBondContact O-N 3.42Å; L424-L428 HydrophobicContact CG-CD1 4.49Å; L424-L428 WeakPolarHBondContact O-CG 3.49Å; L424-L428 PolarHBondContact O-N 3.28Å
425	L	98.2	Very high	96.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64.2	-34.3	176.4	-62.8	-179.7	0	0	0	112	L286 T316 F318 I323 F325 R421 L428 I429	L286-L425 HydrophobicContact CD2-CD2 4.43Å; T316-L425 HydrophobicContact CG2-CD1 3.99Å; F318-L425 HydrophobicContact CB-CD1 4Å; F318-L425 HydrophobicContact CD1-CB 3.67Å; F318-L425 HydrophobicContact CD1-CD1 4.3Å; F318-L425 HydrophobicContact CD2-CB 4.44Å; F318-L425 HydrophobicContact CD2-CD1 3.84Å; F318-L425 HydrophobicContact CE1-CB 3.69Å; F318-L425 HydrophobicContact CE2-CB 4.46Å; F318-L425 HydrophobicContact CE2-CD1 4.36Å; F318-L425 HydrophobicContact CG-CB 4.05Å; F318-L425 HydrophobicContact CG-CD1 3.8Å; F318-L425 HydrophobicContact CZ-CB 4.1Å; I323-L425 HydrophobicContact CD1-CB 4.44Å; I323-L425 HydrophobicContact CD1-CD2 4.06Å; F325-L425 HydrophobicContact CE2-CD2 4.48Å; F325-L425 HydrophobicContact CZ-CD2 3.78Å; R421-L425 HydrophobicContact CG-CD1 3.66Å; R421-L425 HydrophobicContact CG-CG 4.17Å; R421-L425 WeakPolarHBondContact O-CB 3.2Å; R421-L425 WeakPolarHBondContact O-CG 3.25Å; R421-L425 PolarHBondContact O-N 2.99Å; L425-L428 HydrophobicContact CD2-CD1 4.45Å; L425-I429 WeakPolarHBondContact O-CD1 3.45Å; L425-I429 WeakPolarHBondContact O-CG1 3.32Å; L425-I429 PolarHBondContact O-N 2.89Å
426	T	97.5	Very high	96	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-71.8	-40.6	174.1	-50.8	0	0	0	0	111.4	I119 F121 F318 K319 N422 F423 L424 L428 I429 N430	I119-T426 HydrophobicContact CG2-CG2 3.65Å; I119-T426 WeakPolarHBondContact CG2-OG1 3.42Å; F121-T426 HydrophobicContact CD1-CG2 4Å; F121-T426 HydrophobicContact CE1-CG2 4.14Å; F318-T426 WeakPolarHBondContact CE1-OG1 3.31Å; F318-T426 WeakPolarHBondContact CZ-OG1 3.46Å; K319-T426 PolarHBondContact NZ-OG1 2.85Å; N422-T426 WeakPolarHBondContact O-CB 3.48Å; N422-T426 PolarHBondContact O-N 2.76Å; N422-T426 PolarHBondContact O-OG1 2.85Å; F423-T426 PolarHBondContact O-N 3.47Å; L424-T426 VanDerWaalsContact C-N 3.29Å; L424-T426 PolarHBondContact O-N 2.97Å; T426-L428 PolarHBondContact O-N 3.45Å; T426-I429 PolarHBondContact O-N 3.4Å; T426-N430 WeakPolarHBondContact O-CB 3.4Å; T426-N430 PolarHBondContact O-N 2.64Å
427	K	97.8	Very high	95.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.2	-40.1	178.2	-168.6	72.4	170.5	-178.7	0	111.6	I377 F404 P406 F423 L424 A431	I377-K427 HydrophobicContact CD1-CB 4.03Å; I377-K427 HydrophobicContact CD1-CG 3.62Å; F404-K427 HydrophobicContact CD2-CD 3.91Å; F404-K427 HydrophobicContact CD2-CG 4.47Å; F404-K427 HydrophobicContact CE2-CD 3.97Å; F404-K427 HydrophobicContact CE2-CG 4.19Å; F404-K427 PolarHBondContact O-NZ 3.42Å; P406-K427 HydrophobicContact CG-CB 4.47Å; P406-K427 HydrophobicContact CG-CD 4.44Å; P406-K427 VanDerWaalsContact O-CD 3.26Å; P406-K427 WeakPolarHBondContact O-CD 3.37Å; P406-K427 WeakPolarHBondContact O-CE 3.44Å; P406-K427 PolarHBondContact O-NZ 2.96Å; F423-K427 HydrophobicContact CE1-CB 4.22Å; F423-K427 HydrophobicContact CE1-CG 4.31Å; F423-K427 HydrophobicContact CZ-CD 4.27Å; F423-K427 HydrophobicContact CZ-CG 4.41Å; F423-K427 WeakPolarHBondContact O-CB 3.31Å; F423-K427 PolarHBondContact O-N 2.77Å; L424-K427 PolarHBondContact O-N 3.42Å; K427-A431 VanDerWaalsContact O-CB 3.27Å; K427-A431 WeakPolarHBondContact O-CB 3.32Å; K427-A431 PolarHBondContact O-N 3.31Å
428	L	98.5	Very high	95.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.9	-50.1	173.3	-73.8	166.4	0	0	0	112.3	F254 F325 V352 L354 I377 L424 L425 T426 N430 A431 E432	F254-L428 HydrophobicContact CD1-CB 4.49Å; F254-L428 HydrophobicContact CD1-CD2 4.43Å; F254-L428 HydrophobicContact CD2-CB 4.02Å; F254-L428 HydrophobicContact CD2-CD1 3.95Å; F254-L428 HydrophobicContact CD2-CD2 4.49Å; F254-L428 HydrophobicContact CD2-CG 4.39Å; F254-L428 HydrophobicContact CE1-CB 4.14Å; F254-L428 HydrophobicContact CE2-CB 3.62Å; F254-L428 HydrophobicContact CE2-CD1 4.28Å; F254-L428 HydrophobicContact CE2-CG 4.46Å; F254-L428 HydrophobicContact CG-CB 4.44Å; F254-L428 HydrophobicContact CG-CD1 4.46Å; F254-L428 HydrophobicContact CG-CD2 4.27Å; F254-L428 HydrophobicContact CZ-CB 3.69Å; F325-L428 HydrophobicContact CE1-CD1 4.05Å; F325-L428 HydrophobicContact CZ-CD1 4.45Å; V352-L428 HydrophobicContact CG1-CD2 3.88Å; L354-L428 HydrophobicContact CD1-CD1 4.4Å; I377-L428 HydrophobicContact CD1-CD2 3.72Å; I377-L428 HydrophobicContact CD1-CG 3.91Å; I377-L428 HydrophobicContact CG1-CD2 4.32Å; L424-L428 HydrophobicContact CG-CD1 4.49Å; L424-L428 WeakPolarHBondContact O-CG 3.49Å; L424-L428 PolarHBondContact O-N 3.28Å; L425-L428 HydrophobicContact CD2-CD1 4.45Å; T426-L428 PolarHBondContact O-N 3.45Å; L428-N430 PolarHBondContact O-N 3.14Å; L428-A431 WeakPolarHBondContact O-CB 3.34Å; L428-A431 PolarHBondContact O-N 3.06Å; L428-E432 PolarHBondContact O-N 2.91Å; L428-E432 VanDerWaalsContact O-N 3.1Å
429	I	96.9	Very high	95.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.6	-41.7	178.5	-73.7	162.8	0	0	0	111.6	F121 Y252 F254 F318 I323 L425 T426 E432 N433	F121-I429 HydrophobicContact CD1-CB 4.11Å; F121-I429 HydrophobicContact CD1-CD1 4.38Å; F121-I429 HydrophobicContact CD1-CG2 3.51Å; F121-I429 HydrophobicContact CE1-CB 4.04Å; F121-I429 HydrophobicContact CE1-CD1 3.54Å; F121-I429 HydrophobicContact CE1-CG1 4.39Å; F121-I429 HydrophobicContact CE1-CG2 3.81Å; F121-I429 HydrophobicContact CG-CG2 4.3Å; F121-I429 HydrophobicContact CZ-CD1 3.97Å; Y252-I429 HydrophobicContact CD1-CG1 4.06Å; Y252-I429 HydrophobicContact CD2-CG1 4.18Å; Y252-I429 HydrophobicContact CE1-CB 4.36Å; Y252-I429 HydrophobicContact CE1-CG1 4.17Å; Y252-I429 HydrophobicContact CE1-CG2 4.02Å; Y252-I429 HydrophobicContact CE2-CG1 4.31Å; Y252-I429 HydrophobicContact CE2-CG2 4.36Å; Y252-I429 HydrophobicContact CG-CG1 4.06Å; F254-I429 HydrophobicContact CE2-CG1 4.35Å; F254-I429 HydrophobicContact CZ-CG1 4.08Å; F318-I429 HydrophobicContact CD1-CD1 4.09Å; I323-I429 HydrophobicContact CD1-CD1 4Å; L425-I429 WeakPolarHBondContact O-CD1 3.45Å; L425-I429 WeakPolarHBondContact O-CG1 3.32Å; L425-I429 PolarHBondContact O-N 2.89Å; T426-I429 PolarHBondContact O-N 3.4Å; I429-E432 PolarHBondContact O-N 3.03Å; I429-N433 WeakPolarHBondContact O-CB 3.25Å; I429-N433 PolarHBondContact O-N 3.47Å; I429-N433 PolarHBondContact O-ND2 3.02Å; I429-N433 PolarHBondContact O-OD1 2.9Å
430	N	96.3	Very high	95.4	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.011	12%	0.121	C	C	.	.	H	α-helix	trans	-71.5	-31.8	177.9	-72.9	-6.2	0	0	0	112.4	K120 F121 E122 F404 G405 T426 L428 N433 A434	K120-N430 PolarHBondContact O-ND2 2.95Å; F121-N430 VanDerWaalsContact CA-OD1 3.31Å; F121-N430 WeakPolarHBondContact CA-OD1 3.44Å; E122-N430 PolarHBondContact N-OD1 2.78Å; F404-N430 HydrophobicContact CB-CB 4.19Å; G405-N430 WeakPolarHBondContact O-CB 3.48Å; G405-N430 PolarHBondContact O-ND2 3.41Å; T426-N430 WeakPolarHBondContact O-CB 3.4Å; T426-N430 PolarHBondContact O-N 2.64Å; L428-N430 PolarHBondContact O-N 3.14Å; N430-N433 PolarHBondContact O-N 3Å; N430-A434 WeakPolarHBondContact O-CB 3.24Å; N430-A434 PolarHBondContact O-N 2.93Å
431	A	97.7	Very high	95.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-59.1	-48.6	170.4	0	0	0	0	0	111	V352 A375 F404 K427 L428 A434 C435	V352-A431 HydrophobicContact CG1-CB 3.94Å; V352-A431 HydrophobicContact CG2-CB 3.83Å; A375-A431 HydrophobicContact CB-CB 4.22Å; F404-A431 HydrophobicContact CD1-CB 4.4Å; F404-A431 HydrophobicContact CD2-CB 3.84Å; F404-A431 HydrophobicContact CE1-CB 4Å; F404-A431 HydrophobicContact CE2-CB 3.39Å; F404-A431 HydrophobicContact CG-CB 4.33Å; F404-A431 HydrophobicContact CZ-CB 3.48Å; F404-A431 VanDerWaalsContact CZ-CB 3.48Å; K427-A431 VanDerWaalsContact O-CB 3.27Å; K427-A431 WeakPolarHBondContact O-CB 3.32Å; K427-A431 PolarHBondContact O-N 3.31Å; L428-A431 WeakPolarHBondContact O-CB 3.34Å; L428-A431 PolarHBondContact O-N 3.06Å; A431-A434 CarbonylContact O-C 3.49Å; A431-A434 WeakPolarHBondContact O-CB 3.35Å; A431-A434 PolarHBondContact O-N 2.75Å; A431-A434 VanDerWaalsContact O-N 3.14Å; A431-C435 PolarHBondContact O-N 2.96Å; A431-C435 PolarHBondContact O-SG 3.41Å
432	E	96.4	Very high	94.6	Very high	8 Å²	8	29.5 Å²	29.5	4%	0.037	13%	0.132	C	C	.	.	H	α-helix	trans	-65	-45.1	179.1	-169.6	175.5	120.4	0	0	111.7	Y252 F254 I351 V352 L428 I429 A434 C435 Y436	Y252-E432 HydrophobicContact CD1-CB 4.35Å; Y252-E432 HydrophobicContact CD1-CG 4.47Å; Y252-E432 WeakPolarHBondContact CD1-OE1 3.26Å; Y252-E432 HydrophobicContact CE1-CB 4.2Å; Y252-E432 HydrophobicContact CE1-CG 4.37Å; Y252-E432 WeakPolarHBondContact CE1-OE1 3.21Å; F254-E432 HydrophobicContact CE1-CB 4.28Å; F254-E432 WeakPolarHBondContact CE1-OE2 3.47Å; I351-E432 HydrophobicContact CB-CG 4.06Å; I351-E432 HydrophobicContact CD1-CG 4.03Å; I351-E432 HydrophobicContact CG2-CG 4.05Å; V352-E432 HydrophobicContact CG2-CB 3.86Å; L428-E432 PolarHBondContact O-N 2.91Å; L428-E432 VanDerWaalsContact O-N 3.1Å; I429-E432 PolarHBondContact O-N 3.03Å; E432-A434 PolarHBondContact O-N 2.98Å; E432-C435 PolarHBondContact O-N 3.35Å; E432-C435 VanDerWaalsContact O-N 3.11Å; E432-Y436 HydrophobicContact CG-CD2 4.23Å; E432-Y436 HydrophobicContact CG-CE2 3.85Å; E432-Y436 VanDerWaalsContact O-CD2 3.25Å; E432-Y436 WeakPolarHBondContact O-CD2 3.41Å; E432-Y436 PolarHBondContact O-N 3.16Å
433	N	93.3	Very high	94.1	Very high	21 Å²	21	30 Å²	30	11%	0.112	14%	0.14	C	C	.	.	H	α-helix	trans	-60.5	-24.7	174.5	-63.1	-18.7	0	0	0	112.9	E122 Y252 I429 N430 K437	E122-N433 WeakPolarHBondContact O-CB 3.15Å; E122-N433 PolarHBondContact O-ND2 2.96Å; Y252-N433 PolarHBondContact OH-OD1 3.26Å; I429-N433 WeakPolarHBondContact O-CB 3.25Å; I429-N433 PolarHBondContact O-N 3.47Å; I429-N433 PolarHBondContact O-ND2 3.02Å; I429-N433 PolarHBondContact O-OD1 2.9Å; N430-N433 PolarHBondContact O-N 3Å; N433-K437 VanDerWaalsContact O-CE 3.27Å; N433-K437 WeakPolarHBondContact O-CE 3.35Å
434	A	95.3	Very high	93.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-83.9	-40.5	172	0	0	0	0	0	112.5	V401 P402 F404 N430 A431 E432 Y436 K437	V401-A434 HydrophobicContact CG1-CB 3.93Å; P402-A434 WeakPolarHBondContact CD-O 3.47Å; P402-A434 HydrophobicContact CG-CB 4.2Å; F404-A434 HydrophobicContact CB-CB 3.87Å; F404-A434 HydrophobicContact CD1-CB 3.74Å; F404-A434 HydrophobicContact CG-CB 4.17Å; N430-A434 WeakPolarHBondContact O-CB 3.24Å; N430-A434 PolarHBondContact O-N 2.93Å; A431-A434 CarbonylContact O-C 3.49Å; A431-A434 WeakPolarHBondContact O-CB 3.35Å; A431-A434 PolarHBondContact O-N 2.75Å; A431-A434 VanDerWaalsContact O-N 3.14Å; E432-A434 PolarHBondContact O-N 2.98Å; A434-Y436 PolarHBondContact O-N 3.24Å; A434-K437 WeakPolarHBondContact O-CA 3.32Å; A434-K437 VanDerWaalsContact O-CB 3.26Å; A434-K437 WeakPolarHBondContact O-CB 3.27Å; A434-K437 PolarHBondContact O-N 3.07Å
435	C	95.8	Very high	93.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57.4	-35.4	174.3	-70	0	0	0	0	112.1	I351 H374 A431 E432 K437 A438 F441	I351-C435 HydrophobicContact CG2-CB 3.27Å; H374-C435 HydrophobicContact CB-CB 4.23Å; A431-C435 PolarHBondContact O-N 2.96Å; A431-C435 PolarHBondContact O-SG 3.41Å; E432-C435 PolarHBondContact O-N 3.35Å; E432-C435 VanDerWaalsContact O-N 3.11Å; C435-K437 PolarHBondContact O-N 3.43Å; C435-A438 VanDerWaalsContact O-CB 3.27Å; C435-A438 WeakPolarHBondContact O-CB 3.33Å; C435-A438 PolarHBondContact O-N 3.26Å; C435-F441 HydrophobicContact CB-CD2 4.41Å; C435-F441 HydrophobicContact CB-CE2 4.41Å; C435-F441 VanDerWaalsContact O-CD2 3.3Å; C435-F441 WeakPolarHBondContact O-CD2 3.42Å
436	Y	91.2	Very high	92.7	Very high	83 Å²	83	38.7 Å²	38.7	33%	0.325	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-17.2	171.9	-82.2	-65.4	0	0	0	114.8	I351 E432 A434 F441	I351-Y436 HydrophobicContact CD1-CE1 4.19Å; I351-Y436 HydrophobicContact CD1-CE2 4.08Å; E432-Y436 HydrophobicContact CG-CD2 4.23Å; E432-Y436 HydrophobicContact CG-CE2 3.85Å; E432-Y436 VanDerWaalsContact O-CD2 3.25Å; E432-Y436 WeakPolarHBondContact O-CD2 3.41Å; E432-Y436 PolarHBondContact O-N 3.16Å; A434-Y436 PolarHBondContact O-N 3.24Å; Y436-F441 HydrophobicContact CD1-CB 4.22Å
437	K	90.1	Very high	92.4	Very high	110 Å²	110	46.9 Å²	46.9	48%	0.478	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-12.9	176	-53	163.7	-170.6	158.7	0	112.7	P402 N433 A434 C435	P402-K437 HydrophobicContact CG-CB 3.99Å; P402-K437 HydrophobicContact CG-CD 3.66Å; P402-K437 HydrophobicContact CG-CG 4.44Å; N433-K437 VanDerWaalsContact O-CE 3.27Å; N433-K437 WeakPolarHBondContact O-CE 3.35Å; A434-K437 WeakPolarHBondContact O-CA 3.32Å; A434-K437 VanDerWaalsContact O-CB 3.26Å; A434-K437 WeakPolarHBondContact O-CB 3.27Å; A434-K437 PolarHBondContact O-N 3.07Å; C435-K437 PolarHBondContact O-N 3.43Å
438	A	93.5	Very high	92.1	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-69.1	151.8	174.3	0	0	0	0	0	111.3	D400 V401 C435 K440 F441 A442	D400-A438 WeakPolarHBondContact O-CA 3.47Å; V401-A438 HydrophobicContact CG2-CB 4Å; C435-A438 VanDerWaalsContact O-CB 3.27Å; C435-A438 WeakPolarHBondContact O-CB 3.33Å; C435-A438 PolarHBondContact O-N 3.26Å; A438-K440 VanDerWaalsContact C-N 3.29Å; A438-K440 PolarHBondContact O-N 3.49Å; A438-K440 VanDerWaalsContact O-N 3.13Å; A438-F441 PolarHBondContact O-N 2.87Å; A438-A442 WeakPolarHBondContact O-CB 3.32Å; A438-A442 PolarHBondContact O-N 3.04Å
439	R	90.3	Very high	91.8	Very high	190 Å²	190	51.4 Å²	51.4	72%	0.717	24%	0.242	S	C	*	.	H	α-helix	trans	-57.3	-40.4	-163.8	-67.1	169.6	-67.4	174.9	-1.1	113	D400 S443	D400-R439 HydrophobicContact CB-CG 4.36Å; D400-R439 VanDerWaalsContact OD2-CB 3.3Å; D400-R439 WeakPolarHBondContact OD2-CB 3.14Å; D400-R439 WeakPolarHBondContact OD2-CG 3.34Å; D400-R439 IonicContact OD2-CZ 2.69Å; D400-R439 PolarHBondContact OD2-N 3.31Å; D400-R439 IonicContact OD2-NE 2.76Å; D400-R439 PolarHBondContact OD2-NE 2.88Å; D400-R439 IonicContact OD2-NH2 2.69Å; D400-R439 PolarHBondContact OD2-NH2 3.17Å; R439-S443 WeakPolarHBondContact O-CB 3.34Å; R439-S443 PolarHBondContact O-N 2.89Å; R439-S443 VanDerWaalsContact O-N 3.07Å; R439-S443 PolarHBondContact O-OG 2.83Å
440	K	88.2	Confident	91.7	Very high	90 Å²	90	52.6 Å²	52.6	39%	0.391	25%	0.25	S	S	.	.	H	α-helix	trans	-60.9	-53.4	-179.2	-168.9	170.9	-174	174.2	0	111.3	H371 A438 S443 L444	H371-K440 VanDerWaalsContact CB-NZ 3.32Å; H371-K440 PolarHBondContact O-NZ 3.13Å; A438-K440 VanDerWaalsContact C-N 3.29Å; A438-K440 PolarHBondContact O-N 3.49Å; A438-K440 VanDerWaalsContact O-N 3.13Å; K440-S443 PolarHBondContact O-OG 2.99Å; K440-L444 PolarHBondContact O-N 2.92Å
441	F	89.4	Confident	91.7	Very high	16 Å²	16	56.1 Å²	56.1	7%	0.07	28%	0.275	C	S	.	.	H	α-helix	trans	-72.1	-38.1	-179.8	-67.1	-64.9	0	0	0	112.9	I351 F372 H374 C435 Y436 A438 S443 L444 A445	I351-F441 HydrophobicContact CB-CZ 4.39Å; I351-F441 HydrophobicContact CD1-CE1 4.04Å; I351-F441 HydrophobicContact CD1-CZ 4.07Å; I351-F441 HydrophobicContact CG1-CE1 4.14Å; I351-F441 HydrophobicContact CG1-CE2 4.43Å; I351-F441 HydrophobicContact CG1-CZ 3.77Å; I351-F441 HydrophobicContact CG2-CE2 3.86Å; I351-F441 HydrophobicContact CG2-CZ 4.05Å; F372-F441 HydrophobicContact CD1-CE1 4.16Å; F372-F441 HydrophobicContact CD1-CZ 4.33Å; F372-F441 WeakPolarHBondContact O-CZ 3.49Å; H374-F441 HydrophobicContact CB-CE2 4.4Å; H374-F441 AromaticContact CE1-CE2 3.51Å; H374-F441 AromaticContact CG-CE2 3.77Å; H374-F441 AromaticContact ND1-CE2 3.34Å; H374-F441 VanDerWaalsContact ND1-CE2 3.34Å; H374-F441 WeakPolarHBondContact ND1-CE2 3.49Å; H374-F441 AromaticContact ND1-CZ 3.96Å; C435-F441 HydrophobicContact CB-CD2 4.41Å; C435-F441 HydrophobicContact CB-CE2 4.41Å; C435-F441 VanDerWaalsContact O-CD2 3.3Å; C435-F441 WeakPolarHBondContact O-CD2 3.42Å; Y436-F441 HydrophobicContact CD1-CB 4.22Å; A438-F441 PolarHBondContact O-N 2.87Å; F441-S443 VanDerWaalsContact C-N 3.31Å; F441-S443 PolarHBondContact O-N 3.06Å; F441-L444 PolarHBondContact O-N 3.2Å; F441-L444 VanDerWaalsContact O-N 3.13Å; F441-A445 WeakPolarHBondContact O-CB 3.38Å; F441-A445 PolarHBondContact O-N 2.97Å
442	A	88.1	Confident	91.6	Very high	38 Å²	38	58 Å²	58	31%	0.314	29%	0.285	S	S	.	.	H	α-helix	trans	-57.4	-43.3	175.8	0	0	0	0	0	111.8	A438 L444 A445 E446	A438-A442 WeakPolarHBondContact O-CB 3.32Å; A438-A442 PolarHBondContact O-N 3.04Å; A442-L444 VanDerWaalsContact C-N 3.32Å; A442-L444 PolarHBondContact O-N 3.29Å; A442-A445 PolarHBondContact O-N 2.68Å; A442-E446 WeakPolarHBondContact O-CB 3.49Å; A442-E446 PolarHBondContact O-N 2.93Å
443	S	87.4	Confident	91.6	Very high	59 Å²	59	57.6 Å²	57.6	41%	0.413	28%	0.283	S	S	.	.	H	α-helix	trans	-65	-32	177.4	76.4	0	0	0	0	113.8	R439 K440 F441 R447	R439-S443 WeakPolarHBondContact O-CB 3.34Å; R439-S443 PolarHBondContact O-N 2.89Å; R439-S443 VanDerWaalsContact O-N 3.07Å; R439-S443 PolarHBondContact O-OG 2.83Å; K440-S443 PolarHBondContact O-OG 2.99Å; F441-S443 VanDerWaalsContact C-N 3.31Å; F441-S443 PolarHBondContact O-N 3.06Å; S443-R447 WeakPolarHBondContact O-CB 3.44Å; S443-R447 PolarHBondContact O-N 3.21Å
444	L	87.4	Confident	91.8	Very high	75 Å²	75	60.3 Å²	60.3	39%	0.393	30%	0.295	S	S	.	.	H	α-helix	trans	-76.3	-39.4	176.2	-176.4	61.8	0	0	0	111.2	K440 F441 A442 R447 T448	K440-L444 PolarHBondContact O-N 2.92Å; F441-L444 PolarHBondContact O-N 3.2Å; F441-L444 VanDerWaalsContact O-N 3.13Å; A442-L444 VanDerWaalsContact C-N 3.32Å; A442-L444 PolarHBondContact O-N 3.29Å; L444-R447 PolarHBondContact O-N 3.44Å; L444-T448 WeakPolarHBondContact O-CB 3.2Å; L444-T448 PolarHBondContact O-N 3.37Å; L444-T448 PolarHBondContact O-OG1 2.88Å
445	A	87	Confident	91.9	Very high	26 Å²	26	61.7 Å²	61.7	22%	0.215	31%	0.306	C	S	.	.	H	α-helix	trans	-63.8	-44.9	174.5	0	0	0	0	0	111.6	M247 F441 A442 R447 T448 R449	M247-A445 HydrophobicContact CE-CB 4.24Å; F441-A445 WeakPolarHBondContact O-CB 3.38Å; F441-A445 PolarHBondContact O-N 2.97Å; A442-A445 PolarHBondContact O-N 2.68Å; A445-R447 PolarHBondContact O-N 3.25Å; A445-T448 PolarHBondContact O-N 2.93Å; A445-R449 VanDerWaalsContact O-CB 3.23Å; A445-R449 WeakPolarHBondContact O-CB 3.2Å; A445-R449 PolarHBondContact O-N 2.58Å
446	E	88.2	Confident	92	Very high	94 Å²	94	61.8 Å²	61.8	44%	0.439	31%	0.307	S	S	.	.	H	α-helix	trans	-61.6	-42	175.7	-177.6	172.2	-144	0	0	112.2	A442 S450	A442-E446 WeakPolarHBondContact O-CB 3.49Å; A442-E446 PolarHBondContact O-N 2.93Å; E446-S450 VanDerWaalsContact O-CB 3.29Å; E446-S450 WeakPolarHBondContact O-CB 3.36Å; E446-S450 PolarHBondContact O-N 3.19Å; E446-S450 PolarHBondContact O-OG 3.12Å
447	R	90.9	Very high	92.3	Very high	173 Å²	173	59.3 Å²	59.3	65%	0.653	30%	0.297	S	S	*	.	H	α-helix	trans	-61.8	-46.3	174.5	-172.2	-173.6	-58.8	169.7	2.7	111.8	S443 L444 A445 S450 S451	S443-R447 WeakPolarHBondContact O-CB 3.44Å; S443-R447 PolarHBondContact O-N 3.21Å; L444-R447 PolarHBondContact O-N 3.44Å; A445-R447 PolarHBondContact O-N 3.25Å; R447-S450 PolarHBondContact O-N 2.92Å; R447-S451 PolarHBondContact O-N 3.47Å; R447-S451 VanDerWaalsContact O-N 3.15Å
448	T	92.1	Very high	92.6	Very high	66 Å²	66	57.3 Å²	57.3	41%	0.405	30%	0.297	S	S	.	.	H	α-helix	trans	-62.6	-49	179.4	-57.5	0	0	0	0	110.6	L444 A445 S450 S451 L452	L444-T448 WeakPolarHBondContact O-CB 3.2Å; L444-T448 PolarHBondContact O-N 3.37Å; L444-T448 PolarHBondContact O-OG1 2.88Å; A445-T448 PolarHBondContact O-N 2.93Å; T448-S450 VanDerWaalsContact C-N 3.34Å; T448-S450 PolarHBondContact O-N 3.09Å; T448-S451 PolarHBondContact O-N 3.23Å; T448-L452 HydrophobicContact CG2-CD1 3.97Å; T448-L452 WeakPolarHBondContact O-CG 3.45Å; T448-L452 PolarHBondContact O-N 2.88Å
449	R	93.1	Very high	92.7	Very high	29 Å²	29	59 Å²	59	11%	0.109	31%	0.305	C	S	.	.	H	α-helix	trans	-58.7	-42.4	175.7	-179.2	178.5	174.1	91.2	10.4	112.5	L173 K174 G176 T177 F243 A445 L452 I453	L173-R449 PolarHBondContact O-NE 3.39Å; L173-R449 PolarHBondContact O-NH2 2.82Å; K174-R449 VanDerWaalsContact O-CD 3.23Å; K174-R449 WeakPolarHBondContact O-CD 3.46Å; K174-R449 PolarHBondContact O-NE 2.76Å; G176-R449 PolarHBondContact O-NH2 3.3Å; T177-R449 PolarHBondContact OG1-NH1 2.88Å; T177-R449 VanDerWaalsContact OG1-NH1 3.14Å; T177-R449 PolarHBondContact OG1-NH2 3.08Å; F243-R449 HydrophobicContact CZ-CG 4.17Å; A445-R449 VanDerWaalsContact O-CB 3.23Å; A445-R449 WeakPolarHBondContact O-CB 3.2Å; A445-R449 PolarHBondContact O-N 2.58Å; R449-L452 PolarHBondContact O-N 3.31Å; R449-I453 PolarHBondContact O-N 3.36Å
450	S	94.1	Very high	93	Very high	24 Å²	24	50 Å²	50	17%	0.168	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-43.9	178.9	-64.9	0	0	0	0	111.9	E446 R447 T448 I453 E454	E446-S450 VanDerWaalsContact O-CB 3.29Å; E446-S450 WeakPolarHBondContact O-CB 3.36Å; E446-S450 PolarHBondContact O-N 3.19Å; E446-S450 PolarHBondContact O-OG 3.12Å; R447-S450 PolarHBondContact O-N 2.92Å; T448-S450 VanDerWaalsContact C-N 3.34Å; T448-S450 PolarHBondContact O-N 3.09Å; S450-I453 WeakPolarHBondContact O-CG2 3.41Å; S450-E454 WeakPolarHBondContact O-CG 3.35Å; S450-E454 PolarHBondContact O-N 3.21Å
451	S	95.5	Very high	93.3	Very high	76 Å²	76	48 Å²	48	53%	0.531	26%	0.262	S	S	.	.	H	α-helix	trans	-66.9	-40.4	174.9	-176.3	0	0	0	0	112.2	R447 T448 E454 A455	R447-S451 PolarHBondContact O-N 3.47Å; R447-S451 VanDerWaalsContact O-N 3.15Å; T448-S451 PolarHBondContact O-N 3.23Å; S451-E454 PolarHBondContact O-N 3.1Å; S451-A455 WeakPolarHBondContact O-CB 3.5Å; S451-A455 PolarHBondContact O-N 2.88Å
452	L	96.7	Very high	93.6	Very high	39 Å²	39	52.3 Å²	52.3	20%	0.204	28%	0.278	C	S	.	.	H	α-helix	trans	-68	-35.9	179.3	-71.9	172.6	0	0	0	113.3	F243 H246 T448 R449 L456	F243-L452 HydrophobicContact CD2-CB 4.01Å; F243-L452 HydrophobicContact CE2-CB 3.85Å; H246-L452 HydrophobicContact CB-CD1 4.28Å; H246-L452 WeakPolarHBondContact CD2-CD1 3.31Å; T448-L452 HydrophobicContact CG2-CD1 3.97Å; T448-L452 WeakPolarHBondContact O-CG 3.45Å; T448-L452 PolarHBondContact O-N 2.88Å; R449-L452 PolarHBondContact O-N 3.31Å; L452-L456 WeakPolarHBondContact O-CB 3.25Å; L452-L456 PolarHBondContact O-N 3.13Å
453	I	96.8	Very high	93.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-75.5	-33	177.7	-160.5	173.5	0	0	0	112	R172 K174 F243 R449 S450 L456 Y457	R172-I453 HydrophobicContact CB-CD1 3.79Å; R172-I453 WeakPolarHBondContact O-CD1 3.33Å; K174-I453 HydrophobicContact CG-CG2 3.82Å; F243-I453 HydrophobicContact CE2-CB 3.75Å; F243-I453 HydrophobicContact CE2-CG1 4.31Å; F243-I453 HydrophobicContact CZ-CB 3.83Å; F243-I453 HydrophobicContact CZ-CD1 4.27Å; F243-I453 HydrophobicContact CZ-CG1 4.09Å; R449-I453 PolarHBondContact O-N 3.36Å; S450-I453 WeakPolarHBondContact O-CG2 3.41Å; I453-L456 PolarHBondContact O-N 2.51Å; I453-Y457 WeakPolarHBondContact O-CB 3.38Å; I453-Y457 PolarHBondContact O-N 2.89Å
454	E	97	Very high	94.2	Very high	78 Å²	78	49.4 Å²	49.4	36%	0.364	25%	0.252	S	S	.	.	H	α-helix	trans	-62.9	-45.2	170.2	-75.9	170.8	174.4	0	0	111.8	P151 K174 S450 S451 S458	P151-E454 HydrophobicContact CG-CG 3.9Å; K174-E454 WeakPolarHBondContact CE-OE1 3.49Å; K174-E454 IonicContact NZ-OE1 2.76Å; K174-E454 PolarHBondContact NZ-OE1 2.97Å; S450-E454 WeakPolarHBondContact O-CG 3.35Å; S450-E454 PolarHBondContact O-N 3.21Å; S451-E454 PolarHBondContact O-N 3.1Å; E454-S458 WeakPolarHBondContact O-CB 3.35Å; E454-S458 PolarHBondContact O-N 3.06Å; E454-S458 PolarHBondContact O-OG 3.34Å
455	A	97	Very high	94.4	Very high	29 Å²	29	48.2 Å²	48.2	24%	0.24	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-43.4	174.3	0	0	0	0	0	111.9	S451 S458 E459 F487	S451-A455 WeakPolarHBondContact O-CB 3.5Å; S451-A455 PolarHBondContact O-N 2.88Å; A455-S458 PolarHBondContact O-N 3.25Å; A455-E459 PolarHBondContact O-N 2.86Å; A455-F487 HydrophobicContact CB-CE2 4Å; A455-F487 HydrophobicContact CB-CZ 3.58Å; A455-F487 WeakPolarHBondContact O-CE2 3.48Å
456	L	97.8	Very high	94.5	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-60	-53.2	177.9	174.7	67.5	0	0	0	111.1	V153 M239 I240 F243 L452 I453 S458 E459 L460	V153-L456 HydrophobicContact CG2-CD2 4.01Å; V153-L456 HydrophobicContact CG2-CG 4.49Å; M239-L456 HydrophobicContact CB-CD1 3.94Å; M239-L456 HydrophobicContact CE-CD1 4.06Å; I240-L456 HydrophobicContact CG1-CD1 4.48Å; F243-L456 HydrophobicContact CB-CD1 4.49Å; F243-L456 HydrophobicContact CB-CD2 3.76Å; F243-L456 HydrophobicContact CD1-CD2 4.04Å; F243-L456 HydrophobicContact CD2-CB 4.47Å; F243-L456 HydrophobicContact CD2-CD2 4.12Å; F243-L456 HydrophobicContact CG-CD2 3.69Å; L452-L456 WeakPolarHBondContact O-CB 3.25Å; L452-L456 PolarHBondContact O-N 3.13Å; I453-L456 PolarHBondContact O-N 2.51Å; L456-S458 VanDerWaalsContact C-N 3.29Å; L456-S458 PolarHBondContact O-N 3.24Å; L456-E459 PolarHBondContact O-N 3.48Å; L456-L460 HydrophobicContact CD1-CD1 4.07Å; L456-L460 HydrophobicContact CD1-CD2 4.47Å; L456-L460 HydrophobicContact CD1-CG 4.01Å; L456-L460 HydrophobicContact CD2-CD1 4.46Å; L456-L460 HydrophobicContact CG-CD1 3.89Å; L456-L460 HydrophobicContact CG-CG 4.23Å; L456-L460 WeakPolarHBondContact O-CB 3.12Å; L456-L460 VanDerWaalsContact O-CG 3.27Å; L456-L460 WeakPolarHBondContact O-CG 3.3Å; L456-L460 PolarHBondContact O-N 2.9Å
457	Y	97.7	Very high	94.4	Very high	31 Å²	31	52.9 Å²	52.9	12%	0.122	26%	0.262	C	S	.	.	H	α-helix	trans	-57	-43.5	178.2	162.9	-90.1	0	0	0	111.9	Y143 A144 L145 P151 I453 L460 K461	Y143-Y457 AromaticContact CD2-CD2 3.93Å; Y143-Y457 HydrophobicContact CD2-CD2 3.93Å; Y143-Y457 AromaticContact CD2-CE2 3.74Å; Y143-Y457 HydrophobicContact CD2-CE2 3.74Å; A144-Y457 WeakPolarHBondContact O-CE2 3.47Å; L145-Y457 HydrophobicContact CB-CE2 4.2Å; P151-Y457 HydrophobicContact CB-CD1 4.25Å; P151-Y457 HydrophobicContact CB-CD2 4.09Å; P151-Y457 HydrophobicContact CB-CG 3.71Å; P151-Y457 HydrophobicContact CG-CD1 4.19Å; P151-Y457 HydrophobicContact CG-CG 4.16Å; I453-Y457 WeakPolarHBondContact O-CB 3.38Å; I453-Y457 PolarHBondContact O-N 2.89Å; Y457-L460 PolarHBondContact O-N 3.2Å; Y457-K461 WeakPolarHBondContact O-CB 3.33Å; Y457-K461 PolarHBondContact O-N 3.36Å
458	S	96.7	Very high	94.1	Very high	68 Å²	68	49.3 Å²	49.3	48%	0.476	25%	0.25	S	C	.	.	H	α-helix	trans	-62.8	-45.4	-179.6	-58.6	0	0	0	0	111.5	E454 A455 L456 K461 R462	E454-S458 WeakPolarHBondContact O-CB 3.35Å; E454-S458 PolarHBondContact O-N 3.06Å; E454-S458 PolarHBondContact O-OG 3.34Å; A455-S458 PolarHBondContact O-N 3.25Å; L456-S458 VanDerWaalsContact C-N 3.29Å; L456-S458 PolarHBondContact O-N 3.24Å; S458-K461 PolarHBondContact O-N 2.87Å; S458-R462 VanDerWaalsContact O-CB 3.28Å; S458-R462 WeakPolarHBondContact O-CB 3.49Å; S458-R462 PolarHBondContact O-N 3.27Å
459	E	96	Very high	93.4	Very high	36 Å²	36	47.8 Å²	47.8	17%	0.168	25%	0.246	C	C	.	.	H	α-helix	trans	-72	-37.9	177.8	-176.3	63.8	-172.8	0	0	112.3	M239 A455 L456 K461 R462 Q463 F487	M239-E459 HydrophobicContact CE-CB 3.74Å; M239-E459 HydrophobicContact CE-CG 3.43Å; M239-E459 VanDerWaalsContact CE-CG 3.43Å; M239-E459 HydrophobicContact SD-CG 4.16Å; A455-E459 PolarHBondContact O-N 2.86Å; L456-E459 PolarHBondContact O-N 3.48Å; E459-K461 VanDerWaalsContact C-N 3.34Å; E459-K461 PolarHBondContact O-N 3.15Å; E459-R462 PolarHBondContact O-N 2.99Å; E459-R462 IonicContact OE1-CZ 3.38Å; E459-R462 IonicContact OE1-NE 2.65Å; E459-R462 IonicContact OE1-NH2 2.76Å; E459-R462 PolarHBondContact OE1-NH2 3.3Å; E459-R462 IonicContact OE2-CZ 2.68Å; E459-R462 IonicContact OE2-NE 2.68Å; E459-R462 PolarHBondContact OE2-NE 3.41Å; E459-R462 IonicContact OE2-NH2 3.45Å; E459-R462 PolarHBondContact OE2-NH2 3.4Å; E459-Q463 HydrophobicContact CG-CG 4.1Å; E459-Q463 VanDerWaalsContact O-CB 3.26Å; E459-Q463 WeakPolarHBondContact O-CB 3.42Å; E459-Q463 WeakPolarHBondContact O-CG 3.48Å; E459-Q463 PolarHBondContact O-N 3.22Å; E459-Q463 WeakPolarHBondContact OE1-CG 3.42Å; E459-Q463 PolarHBondContact OE1-NE2 3.15Å; E459-F487 HydrophobicContact CB-CD2 4.18Å; E459-F487 HydrophobicContact CB-CE2 3.72Å; E459-F487 HydrophobicContact CG-CD2 4.18Å; E459-F487 HydrophobicContact CG-CE2 4.21Å
460	L	96.5	Very high	92.3	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-57.6	-47.1	172.1	-73.6	176.7	0	0	0	110.8	Y143 V153 V231 F233 M239 I240 L456 Y457 N464	Y143-L460 HydrophobicContact CD1-CB 4.37Å; Y143-L460 HydrophobicContact CG-CB 4.45Å; V153-L460 HydrophobicContact CG1-CD1 4.14Å; V153-L460 HydrophobicContact CG2-CD1 3.99Å; V231-L460 HydrophobicContact CG1-CD2 3.91Å; V231-L460 HydrophobicContact CG2-CD1 4.29Å; V231-L460 HydrophobicContact CG2-CD2 4.08Å; F233-L460 HydrophobicContact CE1-CD2 4.06Å; F233-L460 HydrophobicContact CZ-CD2 3.85Å; M239-L460 HydrophobicContact CE-CD2 3.78Å; M239-L460 HydrophobicContact CE-CG 3.99Å; I240-L460 HydrophobicContact CD1-CD1 4.45Å; I240-L460 HydrophobicContact CG1-CD1 4.34Å; I240-L460 HydrophobicContact CG1-CD2 4.45Å; L456-L460 HydrophobicContact CD1-CD1 4.07Å; L456-L460 HydrophobicContact CD1-CD2 4.47Å; L456-L460 HydrophobicContact CD1-CG 4.01Å; L456-L460 HydrophobicContact CD2-CD1 4.46Å; L456-L460 HydrophobicContact CG-CD1 3.89Å; L456-L460 HydrophobicContact CG-CG 4.23Å; L456-L460 WeakPolarHBondContact O-CB 3.12Å; L456-L460 VanDerWaalsContact O-CG 3.27Å; L456-L460 WeakPolarHBondContact O-CG 3.3Å; L456-L460 PolarHBondContact O-N 2.9Å; Y457-L460 PolarHBondContact O-N 3.2Å; L460-N464 WeakPolarHBondContact O-CB 3.36Å; L460-N464 PolarHBondContact O-N 3.04Å; L460-N464 VanDerWaalsContact O-N 3.08Å
461	K	94.9	Very high	91	Very high	48 Å²	48	55 Å²	55	21%	0.209	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-46.4	176.8	-179.2	167.2	175.6	163.1	0	111.8	Y143 Y457 S458 E459 N464 I465 H473	Y143-K461 HydrophobicContact CD2-CB 4.32Å; Y143-K461 HydrophobicContact CE2-CB 3.62Å; Y143-K461 HydrophobicContact CE2-CD 4.47Å; Y143-K461 HydrophobicContact CE2-CG 4.02Å; Y457-K461 WeakPolarHBondContact O-CB 3.33Å; Y457-K461 PolarHBondContact O-N 3.36Å; S458-K461 PolarHBondContact O-N 2.87Å; E459-K461 VanDerWaalsContact C-N 3.34Å; E459-K461 PolarHBondContact O-N 3.15Å; K461-N464 PolarHBondContact O-N 3.36Å; K461-I465 HydrophobicContact CG-CD1 3.91Å; K461-I465 WeakPolarHBondContact O-CG1 3.47Å; K461-I465 PolarHBondContact O-N 2.95Å; K461-I465 VanDerWaalsContact O-N 3.12Å; K461-H473 VanDerWaalsContact CE-ND1 3.27Å; K461-H473 WeakPolarHBondContact CE-ND1 3.46Å; K461-H473 PolarHBondContact NZ-ND1 3Å
462	R	94.5	Very high	89.5	Confident	106 Å²	106	54.3 Å²	54.3	40%	0.4	28%	0.278	S	S	.	.	H	α-helix	trans	-61.4	-48.1	-179.5	-163.8	-165.4	67.7	63.9	9.6	111.7	S458 E459 I465 E466	S458-R462 VanDerWaalsContact O-CB 3.28Å; S458-R462 WeakPolarHBondContact O-CB 3.49Å; S458-R462 PolarHBondContact O-N 3.27Å; E459-R462 PolarHBondContact O-N 2.99Å; E459-R462 IonicContact OE1-CZ 3.38Å; E459-R462 IonicContact OE1-NE 2.65Å; E459-R462 IonicContact OE1-NH2 2.76Å; E459-R462 PolarHBondContact OE1-NH2 3.3Å; E459-R462 IonicContact OE2-CZ 2.68Å; E459-R462 IonicContact OE2-NE 2.68Å; E459-R462 PolarHBondContact OE2-NE 3.41Å; E459-R462 IonicContact OE2-NH2 3.45Å; E459-R462 PolarHBondContact OE2-NH2 3.4Å; R462-I465 PolarHBondContact O-N 3.37Å; R462-E466 IonicContact CZ-OE2 3.24Å; R462-E466 IonicContact NH1-OE2 3.47Å; R462-E466 PolarHBondContact NH1-OE2 3.08Å; R462-E466 IonicContact NH2-OE2 3.35Å; R462-E466 PolarHBondContact NH2-OE2 3.2Å; R462-E466 WeakPolarHBondContact O-CB 3.31Å; R462-E466 PolarHBondContact O-N 3.24Å
463	Q	94.5	Very high	87.9	Confident	35 Å²	35	53.4 Å²	53.4	16%	0.164	27%	0.273	C	S	.	.	H	α-helix	trans	-63.7	-39.6	178.4	-71.8	-81.6	-7.6	0	0	112.3	F233 E459 E466 H467	F233-Q463 HydrophobicContact CD1-CB 3.68Å; F233-Q463 HydrophobicContact CD2-CB 3.95Å; F233-Q463 HydrophobicContact CD2-CG 4.41Å; F233-Q463 HydrophobicContact CE1-CB 3.35Å; F233-Q463 HydrophobicContact CE1-CG 4.29Å; F233-Q463 HydrophobicContact CE2-CB 3.63Å; F233-Q463 HydrophobicContact CE2-CG 3.82Å; F233-Q463 HydrophobicContact CG-CB 3.97Å; F233-Q463 HydrophobicContact CZ-CB 3.31Å; F233-Q463 HydrophobicContact CZ-CG 3.75Å; E459-Q463 HydrophobicContact CG-CG 4.1Å; E459-Q463 VanDerWaalsContact O-CB 3.26Å; E459-Q463 WeakPolarHBondContact O-CB 3.42Å; E459-Q463 WeakPolarHBondContact O-CG 3.48Å; E459-Q463 PolarHBondContact O-N 3.22Å; E459-Q463 WeakPolarHBondContact OE1-CG 3.42Å; E459-Q463 PolarHBondContact OE1-NE2 3.15Å; Q463-E466 PolarHBondContact O-N 2.74Å; Q463-H467 PolarHBondContact O-N 2.85Å; Q463-H467 PolarHBondContact O-ND1 2.91Å; Q463-H467 PolarHBondContact OE1-CE1 2.89Å; Q463-H467 VanDerWaalsContact OE1-CE1 3.22Å
464	N	93.4	Very high	85.8	Confident	2 Å²	2	58.8 Å²	58.8	1%	0.011	31%	0.308	C	S	.	.	H	α-helix	trans	-59.1	-46.7	173.5	-111.4	38.4	0	0	0	111.8	Y143 P230 M232 F233 L460 K461 H467 Y468	Y143-N464 HydrophobicContact CE1-CB 4.43Å; Y143-N464 VanDerWaalsContact OH-CB 3.29Å; Y143-N464 WeakPolarHBondContact OH-CB 3.36Å; Y143-N464 PolarHBondContact OH-ND2 2.62Å; Y143-N464 VanDerWaalsContact OH-ND2 3.08Å; P230-N464 PolarHBondContact O-ND2 3.41Å; M232-N464 PolarHBondContact N-OD1 3.42Å; F233-N464 WeakPolarHBondContact CD1-OD1 3.31Å; L460-N464 WeakPolarHBondContact O-CB 3.36Å; L460-N464 PolarHBondContact O-N 3.04Å; L460-N464 VanDerWaalsContact O-N 3.08Å; K461-N464 PolarHBondContact O-N 3.36Å; N464-H467 PolarHBondContact O-N 2.99Å; N464-Y468 PolarHBondContact O-N 2.86Å
465	I	91.1	Very high	83.6	Confident	50 Å²	50	63.4 Å²	63.4	26%	0.256	33%	0.33	S	S	.	.	H	α-helix	trans	-68.7	-35.3	179.2	-65	166.6	0	0	0	111	K461 R462 G469 H473 L476	K461-I465 HydrophobicContact CG-CD1 3.91Å; K461-I465 WeakPolarHBondContact O-CG1 3.47Å; K461-I465 PolarHBondContact O-N 2.95Å; K461-I465 VanDerWaalsContact O-N 3.12Å; R462-I465 PolarHBondContact O-N 3.37Å; I465-G469 WeakPolarHBondContact O-CA 3.43Å; I465-G469 PolarHBondContact O-N 3.08Å; I465-H473 HydrophobicContact CD1-CB 4.28Å; I465-H473 HydrophobicContact CG1-CB 4.48Å; I465-L476 HydrophobicContact CD1-CD1 3.86Å
466	E	90.1	Very high	81.2	Confident	121 Å²	121	66 Å²	66	57%	0.565	34%	0.339	S	S	*	.	H	α-helix	trans	-63.8	-40.3	175.2	-175.2	173.8	-174.9	0	0	112.5	R462 Q463	R462-E466 IonicContact CZ-OE2 3.24Å; R462-E466 IonicContact NH1-OE2 3.47Å; R462-E466 PolarHBondContact NH1-OE2 3.08Å; R462-E466 IonicContact NH2-OE2 3.35Å; R462-E466 PolarHBondContact NH2-OE2 3.2Å; R462-E466 WeakPolarHBondContact O-CB 3.31Å; R462-E466 PolarHBondContact O-N 3.24Å; Q463-E466 PolarHBondContact O-N 2.74Å
467	H	86.5	Confident	78.2	Confident	96 Å²	96	71.1 Å²	71.1	44%	0.444	37%	0.372	S	S	.	.	H	α-helix	trans	-87.5	-31.7	-177.2	-71.5	73.3	0	0	0	114.3	F233 Q463 N464	F233-H467 HydrophobicContact CB-CB 4.48Å; Q463-H467 PolarHBondContact O-N 2.85Å; Q463-H467 PolarHBondContact O-ND1 2.91Å; Q463-H467 PolarHBondContact OE1-CE1 2.89Å; Q463-H467 VanDerWaalsContact OE1-CE1 3.22Å; N464-H467 PolarHBondContact O-N 2.99Å
468	Y	84	Confident	75.1	Confident	99 Å²	99	80 Å²	80	39%	0.388	41%	0.411	S	S	.	.	H	α-helix	trans	-126.3	6.3	-171.1	-60.7	-81.9	0	0	0	113.9	M232 N464 I471	M232-Y468 HydrophobicContact CB-CD2 3.65Å; M232-Y468 HydrophobicContact CB-CE2 3.39Å; M232-Y468 HydrophobicContact CB-CG 4.41Å; M232-Y468 WeakPolarHBondContact O-CE2 3.27Å; M232-Y468 PolarHBondContact O-OH 2.79Å; N464-Y468 PolarHBondContact O-N 2.86Å; Y468-I471 WeakPolarHBondContact O-CD1 3.49Å; Y468-I471 WeakPolarHBondContact O-CG1 3.47Å
469	G	77.9	Confident	72.1	Confident	33 Å²	33	85.5 Å²	85.5	34%	0.34	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	64.5	-165.9	-177.9	0	0	0	0	0	113.5	I465 I471	I465-G469 WeakPolarHBondContact O-CA 3.43Å; I465-G469 PolarHBondContact O-N 3.08Å; G469-I471 PolarHBondContact O-N 2.94Å; G469-I471 VanDerWaalsContact O-N 3.14Å
470	S	69.5	Low	68.9	Low	56 Å²	56	89.2 Å²	89.2	39%	0.392	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-76	11.8	176.8	-113.7	0	0	0	0	114.3	L472 H473	S470-L472 PolarHBondContact O-N 2.97Å; S470-L472 VanDerWaalsContact O-N 3.12Å; S470-H473 WeakPolarHBondContact CB-O 3.41Å; S470-H473 CarbonylContact O-C 3.54Å; S470-H473 VanDerWaalsContact O-C 3.23Å; S470-H473 PolarHBondContact O-N 3.25Å; S470-H473 PolarHBondContact OG-O 3.5Å
471	I	67.6	Low	65.7	Low	148 Å²	148	97.2 Å²	97.2	76%	0.759	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-56.7	-31.1	178.5	-59.5	177.8	0	0	0	111.1	Y468 G469	Y468-I471 WeakPolarHBondContact O-CD1 3.49Å; Y468-I471 WeakPolarHBondContact O-CG1 3.47Å; G469-I471 PolarHBondContact O-N 2.94Å; G469-I471 VanDerWaalsContact O-N 3.14Å
472	L	64.4	Low	62.9	Low	62 Å²	62	99 Å²	99	33%	0.325	53%	0.526	S	S	.	.	G	3₁₀ helix	trans	-99.5	-1.2	177.3	-60.2	176.7	0	0	0	114.2	T229 M232 S470	T229-L472 HydrophobicContact CG2-CB 3.94Å; T229-L472 HydrophobicContact CG2-CD1 4.14Å; M232-L472 HydrophobicContact CG-CD1 3.92Å; S470-L472 PolarHBondContact O-N 2.97Å; S470-L472 VanDerWaalsContact O-N 3.12Å
473	H	62.2	Low	60.1	Low	20 Å²	20	99.6 Å²	99.6	9%	0.093	55%	0.547	C	S	.	.			trans	-142.8	82.7	-177.6	-71.9	-84.7	0	0	0	110.7	Y143 K461 I465 S470 E475 L476	Y143-H473 AromaticContact CE2-NE2 3.96Å; Y143-H473 AromaticContact CZ-NE2 3.83Å; Y143-H473 PolarHBondContact OH-NE2 3.28Å; K461-H473 VanDerWaalsContact CE-ND1 3.27Å; K461-H473 WeakPolarHBondContact CE-ND1 3.46Å; K461-H473 PolarHBondContact NZ-ND1 3Å; I465-H473 HydrophobicContact CD1-CB 4.28Å; I465-H473 HydrophobicContact CG1-CB 4.48Å; S470-H473 WeakPolarHBondContact CB-O 3.41Å; S470-H473 CarbonylContact O-C 3.54Å; S470-H473 VanDerWaalsContact O-C 3.23Å; S470-H473 PolarHBondContact O-N 3.25Å; S470-H473 PolarHBondContact OG-O 3.5Å; H473-E475 VanDerWaalsContact C-N 3.27Å; H473-E475 PolarHBondContact O-N 3.04Å; H473-L476 HydrophobicContact CB-CD1 4.33Å
474	P	53.4	Low	57.4	Low	113 Å²	113	104.6 Å²	104.6	73%	0.734	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-24.9	-179.4	-22.3	34.8	0	0	0	114.6	L476	P474-L476 PolarHBondContact O-N 3.05Å
475	E	50.3	Low	54.6	Low	176 Å²	176	107.2 Å²	107.2	82%	0.822	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	13.4	-164.6	-67.3	-72.1	120.8	0	0	115.6	H473	H473-E475 VanDerWaalsContact C-N 3.27Å; H473-E475 PolarHBondContact O-N 3.04Å
476	L	46.5	Very low	52.5	Low	84 Å²	84	110.7 Å²	110.7	44%	0.44	62%	0.62	S	S	.	*			trans	-115	119	-172.2	-74.4	175.8	0	0	0	114.2	I465 H473 P474	I465-L476 HydrophobicContact CD1-CD1 3.86Å; H473-L476 HydrophobicContact CB-CD1 4.33Å; P474-L476 PolarHBondContact O-N 3.05Å
477	P	34.7	Very low	50.1	Low	109 Å²	109	109 Å²	109	71%	0.708	61%	0.611	S	S	*	*			trans	-60.6	152.8	161.7	-20.8	33.3	0	0	0	111.9	E479	P477-E479 PolarHBondContact O-N 2.98Å
478	K	33.4	Very low	47.9	Very low	218 Å²	218	108.2 Å²	108.2	95%	0.948	62%	0.616	S	S	*	*			trans	-77.5	84.3	177	-68.2	-178.7	179.1	177.7	0	111.7
479	E	33.3	Very low	45.8	Very low	184 Å²	184	107 Å²	107	86%	0.86	62%	0.622	S	S	*	*			trans	-85.8	157	161.9	-65.3	-147.3	140.7	0	0	112	P477	P477-E479 PolarHBondContact O-N 2.98Å
480	S	29.1	Very low	44.1	Very low	114 Å²	114	108.8 Å²	108.8	80%	0.797	63%	0.626	S	S	*	*			trans	-93.5	159.6	-162.7	53.7	0	0	0	0	114.4	A482	S480-A482 PolarHBondContact O-N 3.04Å
481	N	28.2	Very low	42.7	Very low	168 Å²	168	111.5 Å²	111.5	90%	0.898	63%	0.631	S	S	*	*			trans	-52.8	98.3	-172.6	-66.4	-19.1	0	0	0	114.7
482	A	35.9	Very low	41.4	Very low	84 Å²	84	113.1 Å²	113.1	69%	0.694	63%	0.632	S	S	*	*			trans	-96.8	97.8	163.5	0	0	0	0	0	110.3	S480 L484	S480-A482 PolarHBondContact O-N 3.04Å; A482-L484 PolarHBondContact O-N 2.67Å; A482-L484 VanDerWaalsContact O-N 3.16Å
483	S	35.5	Very low	40	Very low	120 Å²	120	113.9 Å²	113.9	84%	0.839	65%	0.648	S	S	*	*			trans	-80.2	90.6	-176	47	0	0	0	0	113.2
484	L	38.3	Very low	38.7	Very low	139 Å²	139	119.1 Å²	119.1	73%	0.728	68%	0.676	S	S	*	*			trans	-104.2	83.1	178.2	-65.8	179.6	0	0	0	113	A482 L486	A482-L484 PolarHBondContact O-N 2.67Å; A482-L484 VanDerWaalsContact O-N 3.16Å; L484-L486 VanDerWaalsContact C-N 3.25Å; L484-L486 PolarHBondContact O-N 3.01Å
485	G	35	Very low	37.8	Very low	58 Å²	58	118.5 Å²	118.5	60%	0.598	67%	0.67	S	S	*	*			trans	-74.2	52.1	-178	0	0	0	0	0	116.5	F487 S488	G485-F487 PolarHBondContact O-N 3Å; G485-S488 PolarHBondContact O-OG 3.22Å
486	L	46.3	Very low	36.6	Very low	122 Å²	122	113.7 Å²	113.7	64%	0.639	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-33.6	-173.6	-70.9	165.8	0	0	0	114.5	L484 S488 S489	L484-L486 VanDerWaalsContact C-N 3.25Å; L484-L486 PolarHBondContact O-N 3.01Å; L486-S488 VanDerWaalsContact C-N 3.25Å; L486-S488 PolarHBondContact O-N 3.22Å; L486-S489 PolarHBondContact O-N 2.98Å
487	F	39.3	Very low	35.8	Very low	87 Å²	87	112.6 Å²	112.6	38%	0.382	68%	0.677	S	S	.	*	H	α-helix	trans	-70.9	-13.3	-175	-78.2	-76	0	0	0	115.3	A455 E459 G485	A455-F487 HydrophobicContact CB-CE2 4Å; A455-F487 HydrophobicContact CB-CZ 3.58Å; A455-F487 WeakPolarHBondContact O-CE2 3.48Å; E459-F487 HydrophobicContact CB-CD2 4.18Å; E459-F487 HydrophobicContact CB-CE2 3.72Å; E459-F487 HydrophobicContact CG-CD2 4.18Å; E459-F487 HydrophobicContact CG-CE2 4.21Å; G485-F487 PolarHBondContact O-N 3Å
488	S	42	Very low	35.5	Very low	79 Å²	79	112.1 Å²	112.1	55%	0.552	68%	0.676	S	S	*	*	H	α-helix	trans	-75.8	-34.1	178.4	65.2	0	0	0	0	113.1	G485 L486 K492	G485-S488 PolarHBondContact O-OG 3.22Å; L486-S488 VanDerWaalsContact C-N 3.25Å; L486-S488 PolarHBondContact O-N 3.22Å; S488-K492 PolarHBondContact O-N 3.43Å
489	S	40.1	Very low	35.3	Very low	74 Å²	74	111.6 Å²	111.6	52%	0.517	67%	0.674	S	S	.	*	H	α-helix	trans	-72.9	-43.3	-178.6	-56.8	0	0	0	0	112.3	L486 K491 K492 A493	L486-S489 PolarHBondContact O-N 2.98Å; S489-K491 PolarHBondContact O-N 2.68Å; S489-K492 PolarHBondContact O-N 3Å; S489-K492 VanDerWaalsContact O-N 3.17Å; S489-A493 PolarHBondContact O-N 3.21Å; S489-A493 VanDerWaalsContact O-N 3.12Å
490	V	41.1	Very low	35.1	Very low	70 Å²	70	109.3 Å²	109.3	42%	0.424	67%	0.667	S	S	.	*	H	α-helix	trans	-64.1	-40.4	-178.6	-175.7	0	0	0	0	111.5	K492 A493 L494	V490-K492 PolarHBondContact O-N 3.32Å; V490-A493 PolarHBondContact O-N 3.47Å; V490-L494 HydrophobicContact CG1-CD1 4.01Å; V490-L494 PolarHBondContact O-N 2.96Å; V490-L494 VanDerWaalsContact O-N 3.09Å
491	K	39.8	Very low	34.9	Very low	113 Å²	113	115.6 Å²	115.6	49%	0.491	67%	0.674	S	S	.	*	H	α-helix	trans	-63	-39.6	174.1	-94.9	-177.9	175.7	173.2	0	112.3	S242 S489 A493 L494 T495	S242-K491 PolarHBondContact OG-NZ 2.96Å; S489-K491 PolarHBondContact O-N 2.68Å; K491-A493 VanDerWaalsContact C-N 3.29Å; K491-A493 PolarHBondContact O-N 3.45Å; K491-L494 PolarHBondContact O-N 3.35Å; K491-T495 PolarHBondContact O-N 3.26Å; K491-T495 PolarHBondContact O-OG1 3.35Å
492	K	40.2	Very low	34.8	Very low	181 Å²	181	115.4 Å²	115.4	79%	0.787	67%	0.668	S	S	*	*	H	α-helix	trans	-64.8	-28.6	174.8	-80.6	-174.5	174.4	-178.8	0	113.9	S488 S489 V490	S488-K492 PolarHBondContact O-N 3.43Å; S489-K492 PolarHBondContact O-N 3Å; S489-K492 VanDerWaalsContact O-N 3.17Å; V490-K492 PolarHBondContact O-N 3.32Å
493	A	35	Very low	34.3	Very low	79 Å²	79	116.5 Å²	116.5	65%	0.653	67%	0.67	S	S	*	*	H	α-helix	trans	-79.6	-36.5	177.5	0	0	0	0	0	113.1	S489 V490 K491	S489-A493 PolarHBondContact O-N 3.21Å; S489-A493 VanDerWaalsContact O-N 3.12Å; V490-A493 PolarHBondContact O-N 3.47Å; K491-A493 VanDerWaalsContact C-N 3.29Å; K491-A493 PolarHBondContact O-N 3.45Å
494	L	35.8	Very low	33.8	Very low	129 Å²	129	115.9 Å²	115.9	68%	0.675	67%	0.666	S	S	*	*	H	α-helix	trans	-96.3	-20.4	-175.1	-68.3	174.5	0	0	0	114.7	V490 K491	V490-L494 HydrophobicContact CG1-CD1 4.01Å; V490-L494 PolarHBondContact O-N 2.96Å; V490-L494 VanDerWaalsContact O-N 3.09Å; K491-L494 PolarHBondContact O-N 3.35Å
495	T	33.3	Very low	33.1	Very low	100 Å²	100	115.2 Å²	115.2	61%	0.613	67%	0.667	S	S	*	*			trans	-102.9	80.9	169.1	68.3	0	0	0	0	110.7	K491 G497	K491-T495 PolarHBondContact O-N 3.26Å; K491-T495 PolarHBondContact O-OG1 3.35Å; T495-G497 PolarHBondContact O-N 3.38Å
496	G	26.4	Very low	32.7	Very low	75 Å²	75	121.5 Å²	121.5	77%	0.773	68%	0.681	S	S	*	*			trans	-67.7	38.5	165.9	0	0	0	0	0	113.5	S498	G496-S498 PolarHBondContact O-N 3.03Å
497	G	28.2	Very low	31.9	Very low	62 Å²	62	120.4 Å²	120.4	64%	0.639	68%	0.684	S	S	*	*			trans	-76.1	101.8	-176.8	0	0	0	0	0	111.1	T495 K499	T495-G497 PolarHBondContact O-N 3.38Å; G497-K499 PolarHBondContact O-N 2.96Å
498	S	29.8	Very low	31.2	Very low	99 Å²	99	124 Å²	124	69%	0.692	71%	0.707	S	S	*	*			trans	-52.9	100.1	173.8	-71.5	0	0	0	0	111.7	G496 N500	G496-S498 PolarHBondContact O-N 3.03Å; S498-N500 VanDerWaalsContact C-N 3.32Å; S498-N500 PolarHBondContact O-N 3.18Å
499	K	29.5	Very low	30.7	Very low	206 Å²	206	126.9 Å²	126.9	90%	0.896	72%	0.721	S	S	*	*			trans	-69.2	94.7	165	-82.5	-164.4	173.4	-171.3	0	108.6	G497 R501	G497-K499 PolarHBondContact O-N 2.96Å; K499-R501 PolarHBondContact O-N 3.19Å
500	N	27.5	Very low	30.2	Very low	136 Å²	136	129.2 Å²	129.2	73%	0.727	73%	0.732	S	S	*	*			trans	-46.7	111.4	168.4	-108.3	-8.7	0	0	0	109.7	S498 Q502	S498-N500 VanDerWaalsContact C-N 3.32Å; S498-N500 PolarHBondContact O-N 3.18Å; N500-Q502 HydrophobicContact CB-CG 4.42Å; N500-Q502 PolarHBondContact O-N 2.91Å
501	R	25	Very low	29.6	Very low	246 Å²	246	132.6 Å²	132.6	93%	0.928	75%	0.753	S	S	*	*			trans	-80	71.8	164.4	-160.8	177.9	-174.5	-167.4	-0.3	107	K499 S503	K499-R501 PolarHBondContact O-N 3.19Å; R501-S503 PolarHBondContact O-N 3.18Å
502	Q	27.4	Very low	29.1	Very low	165 Å²	165	131.8 Å²	131.8	77%	0.771	76%	0.762	S	S	*	*			trans	-55.2	124.8	177.5	-95.3	-179.6	-21.7	0	0	109.2	N500 S504	N500-Q502 HydrophobicContact CB-CG 4.42Å; N500-Q502 PolarHBondContact O-N 2.91Å; Q502-S504 PolarHBondContact O-N 2.95Å
503	S	24.3	Very low	28.7	Very low	106 Å²	106	129.1 Å²	129.1	74%	0.741	77%	0.765	S	S	*	*			trans	-71.8	90.9	174.8	50.5	0	0	0	0	109.6	R501 T505	R501-S503 PolarHBondContact O-N 3.18Å; S503-T505 VanDerWaalsContact C-N 3.27Å; S503-T505 PolarHBondContact O-N 3.46Å
504	S	25.7	Very low	28.5	Very low	108 Å²	108	130.7 Å²	130.7	76%	0.755	77%	0.767	S	S	*	*			trans	-73.3	85.2	164	58.3	0	0	0	0	109	Q502 Q506	Q502-S504 PolarHBondContact O-N 2.95Å; S504-Q506 PolarHBondContact O-N 3.38Å
505	T	24.1	Very low	28.3	Very low	124 Å²	124	133.8 Å²	133.8	76%	0.761	78%	0.778	S	S	*	*			trans	-64.2	100.6	165.6	43.6	0	0	0	0	108.9	S503	S503-T505 VanDerWaalsContact C-N 3.27Å; S503-T505 PolarHBondContact O-N 3.46Å
506	Q	26	Very low	28.1	Very low	191 Å²	191	139.5 Å²	139.5	89%	0.893	79%	0.788	S	S	*	*			trans	-88	108.2	159.8	-77.5	-174.3	-36.2	0	0	108	S504	S504-Q506 PolarHBondContact O-N 3.38Å
507	S	29.6	Very low	28.4	Very low	99 Å²	99	144.3 Å²	144.3	69%	0.692	79%	0.79	S	S	*	*			trans	-118.3	132.2	165.8	54.4	0	0	0	0	107.5
508	D	25.2	Very low	28.4	Very low	161 Å²	161	147.4 Å²	147.4	86%	0.861	79%	0.792	S	S	*	*			trans	-65.9	133.8	-167.2	-51.8	-92.8	0	0	0	114.1
509	V	30.7	Very low	28.6	Very low	140 Å²	140	148.8 Å²	148.8	85%	0.848	80%	0.802	S	S	*	*			trans	-136.9	134.4	153.6	-179	0	0	0	0	108.5
510	V	28.5	Very low	28.7	Very low	124 Å²	124	143.2 Å²	143.2	75%	0.752	80%	0.795	S	S	*	*			trans	-87.9	132.6	-174.6	175.8	0	0	0	0	111.6
511	T	29.7	Very low	28.8	Very low	141 Å²	141	148.7 Å²	148.7	87%	0.865	81%	0.805	S	S	*	*			trans	-139.6	131.6	153.8	48.5	0	0	0	0	110.4
512	S	28.3	Very low	28.9	Very low	96 Å²	96	146.8 Å²	146.8	67%	0.671	80%	0.803	S	S	*	*			trans	-124.4	125.3	-171	56.5	0	0	0	0	113.5
513	S	32.7	Very low	29	Very low	124 Å²	124	144.6 Å²	144.6	87%	0.867	81%	0.806	S	S	*	*			trans	-169.5	118.9	159.2	-75.8	0	0	0	0	106.2
514	V	31.6	Very low	29.1	Very low	112 Å²	112	147.2 Å²	147.2	68%	0.679	81%	0.812	S	S	*	*			cis	91.9	67.1	29.5	-167.7	0	0	0	0	114.6	R516	V514-R516 HydrophobicContact CG1-CG 4.49Å
515	E	30	Very low	29.9	Very low	194 Å²	194	147.2 Å²	147.2	91%	0.907	81%	0.809	S	S	*	*			trans	-137.5	125.5	137.3	-64.1	-171.7	141.6	0	0	104.8
516	R	30.1	Very low	30.1	Very low	221 Å²	221	149.9 Å²	149.9	83%	0.834	82%	0.818	S	S	*	*			cis	89.7	130.1	24	-75.2	-163.3	169.5	-166.3	-0.6	116.6	V514	V514-R516 HydrophobicContact CG1-CG 4.49Å
517	Q	32.1	Very low	30.1	Very low	175 Å²	175	149.5 Å²	149.5	82%	0.818	82%	0.817	S	S	*	*			trans	73.3	143.9	170.7	-50.4	-152	-92.4	0	0	117.4
518	D	29.1	Very low	30	Very low	127 Å²	127	152.4 Å²	152.4	68%	0.679	82%	0.823	S	S	*	*			cis	-163.6	139.2	-29.2	-111.6	-44.2	0	0	0	109.9
519	S	33.3	Very low	30.2	Very low	128 Å²	128	150.7 Å²	150.7	90%	0.895	82%	0.819	S	S	*	*			trans	-179.8	136.8	152.4	-86.4	0	0	0	0	110.6
520	A	31	Very low	30.1	Very low	90 Å²	90	151.9 Å²	151.9	74%	0.744	82%	0.815	S	S	*	*			trans	-127	154.3	-170.6	0	0	0	0	0	113.1
521	R	31.1	Very low	30	Very low	251 Å²	251	154.1 Å²	154.1	95%	0.947	82%	0.822	S	S	*	*				-168.5	155.6	117.6	-100.4	160.6	-167.8	-145	2	112.2
522	K	27.3	Very low	29.8	Very low	205 Å²	205	153.2 Å²	153.2	89%	0.891	82%	0.817	S	S	*	*			trans	-103.1	149.2	172.9	-56.1	173.4	177.9	179.9	0	109.3
523	S	29.4	Very low	30	Very low	119 Å²	119	156.9 Å²	156.9	83%	0.832	82%	0.823	S	S	*	*			trans	178.1	123.3	131.2	53.5	0	0	0	0	112.9
524	D	25.8	Very low	29.9	Very low	161 Å²	161	157.6 Å²	157.6	86%	0.861	81%	0.812	S	S	*	*			trans	-119.2	171.6	159.5	-84.6	-51.4	0	0	0	107.4
525	P	42.2	Very low	29.6	Very low	108 Å²	108	159 Å²	159	70%	0.701	81%	0.812	S	S	*	*			cis	-134.5	173.8	-45.7	38.8	-24.4	0	0	0	111.6
526	L	28.9	Very low	29.4	Very low	181 Å²	181	156.7 Å²	156.7	95%	0.948	81%	0.805	S	S	*	*			trans	-145	155.1	161.7	-87.2	-176.8	0	0	0	112.3
527	Q	26.1	Very low	29.3	Very low	183 Å²	183	151 Å²	151	86%	0.855	81%	0.806	S	S	*	*			trans	-121.5	143.7	-174.8	-63.6	176.3	-10.7	0	0	112.3
528	L	27.7	Very low	28.9	Very low	159 Å²	159	149.1 Å²	149.1	83%	0.832	81%	0.806	S	S	*	*			trans	-172.5	147.9	142	-124.6	65.4	0	0	0	106
529	T	29.2	Very low	28.8	Very low	126 Å²	126	148.7 Å²	148.7	77%	0.773	81%	0.808	S	S	*	*			cis	-124.5	166.5	16	42.5	0	0	0	0	114.1
530	E	27.9	Very low	28.6	Very low	164 Å²	164	149.7 Å²	149.7	77%	0.766	80%	0.803	S	S	*	*			trans	-73.9	156.6	-178.3	-58.1	147	106.3	0	0	114.2
531	L	26.9	Very low	28.2	Very low	171 Å²	171	155.5 Å²	155.5	90%	0.895	81%	0.808	S	S	*	*				-163.9	116.6	122.3	-106	173.8	0	0	0	109.4
532	T	24.6	Very low	28	Very low	123 Å²	123	152.1 Å²	152.1	76%	0.755	80%	0.8	S	S	*	*			trans	-133.7	111	-177.6	50	0	0	0	0	113
533	H	32.3	Very low	28	Very low	173 Å²	173	150 Å²	150	80%	0.801	79%	0.793	S	S	*	*			trans	-156.1	147.8	157.7	-84.5	-83.8	0	0	0	107.5
534	Q	30.6	Very low	27.9	Very low	138 Å²	138	154.6 Å²	154.6	65%	0.645	80%	0.798	S	S	*	*			cis	-159.9	137	-24.3	-173.3	165.8	-12.3	0	0	108.3
535	E	26.5	Very low	27.9	Very low	142 Å²	142	153.3 Å²	153.3	66%	0.664	79%	0.787	S	S	*	*			trans	29.6	144.4	156.4	-61.4	175.3	93.7	0	0	124.1
536	N	25.6	Very low	27.1	Very low	145 Å²	145	156.3 Å²	156.3	78%	0.775	80%	0.796	S	S	*	*			trans	65.4	99.5	147	-61.1	-27.9	0	0	0	120.5
537	A	28.7	Very low	26.9	Very low	103 Å²	103	152.1 Å²	152.1	85%	0.851	79%	0.788	S	S	*	*				-169.6	140.8	106.5	0	0	0	0	0	112.5
538	T	23.6	Very low	26.9	Very low	134 Å²	134	151.6 Å²	151.6	82%	0.822	79%	0.789	S	S	*	*			trans	-94.2	176.5	164.1	41.7	0	0	0	0	111.1
539	V	26.3	Very low	26.6	Very low	119 Å²	119	153.4 Å²	153.4	72%	0.721	79%	0.79	S	S	*	*			trans	96.3	134.1	162	-176.3	0	0	0	0	118
540	N	28.8	Very low	26.4	Very low	148 Å²	148	155.2 Å²	155.2	79%	0.791	80%	0.795	S	S	*	*			trans	73.4	97.7	163.9	-70.9	-11.3	0	0	0	122.3
541	Y	23.7	Very low	26.4	Very low	213 Å²	213	151.9 Å²	151.9	84%	0.835	80%	0.795	S	S	*	*				-13.9	160.7	125.5	-92.5	-106.3	0	0	0	119.5
542	F	25.5	Very low	26.4	Very low	180 Å²	180	152 Å²	152	79%	0.789	79%	0.794	S	S	*	*			trans	89.3	140	161.1	-87.4	-78.2	0	0	0	120.6
543	H	27.8	Very low	26.4	Very low	161 Å²	161	156.1 Å²	156.1	75%	0.745	80%	0.802	S	S	*	*			trans	62.7	99.8	167.9	-76.2	-75.4	0	0	0	121.1
544	K	26.8	Very low	26.2	Very low	214 Å²	214	153.4 Å²	153.4	93%	0.93	80%	0.802	S	S	*	*			trans	-130.1	83.8	141.8	-89.9	-171.1	173.5	179.6	0	110.1
545	E	25.7	Very low	26.1	Very low	134 Å²	134	154.8 Å²	154.8	63%	0.626	81%	0.812	S	S	*	*			trans	-163	49.1	173.6	-131.1	-64.2	99.5	0	0	110.6	K651	E545-K651 IonicContact OE2-NZ 3.05Å; E545-K651 PolarHBondContact OE2-NZ 3.48Å
546	L	25.4	Very low	26.5	Very low	172 Å²	172	152.7 Å²	152.7	90%	0.901	81%	0.811	S	S	*	*			trans	-156.7	70.2	172.6	-163.9	71.3	0	0	0	112.6
547	A	25.9	Very low	26.6	Very low	93 Å²	93	156.3 Å²	156.3	77%	0.769	81%	0.814	S	S	*	*			trans	-151.3	66.1	175.4	0	0	0	0	0	112.7
548	I	24.8	Very low	26.6	Very low	171 Å²	171	158.7 Å²	158.7	88%	0.877	81%	0.812	S	S	*	*			trans	-163.2	84.4	152.2	-92.6	141.2	0	0	0	107.2
549	F	23	Very low	27	Very low	197 Å²	197	160.1 Å²	160.1	86%	0.864	81%	0.814	S	S	*	*			trans	-160.9	154.6	157.9	-142.5	-103.3	0	0	0	107.9
550	L	24.6	Very low	26.9	Very low	165 Å²	165	165.6 Å²	165.6	86%	0.864	82%	0.822	S	S	*	*			trans	68.4	70.5	-174.3	-50.4	179.8	0	0	0	115.7
551	A	26.7	Very low	27.1	Very low	93 Å²	93	165.8 Å²	165.8	77%	0.769	82%	0.822	S	S	*	*			trans	-123.1	152.7	145.8	0	0	0	0	0	108.9
552	I	27.2	Very low	27.3	Very low	173 Å²	173	161.2 Å²	161.2	89%	0.887	82%	0.816	S	S	*	*	S	Bend	trans	64.3	75.6	-179	-43.7	177.7	0	0	0	114.9
553	K	25.1	Very low	27.4	Very low	210 Å²	210	161.7 Å²	161.7	91%	0.913	81%	0.813	S	S	*	*			trans	-161.9	75.9	144.1	-125.5	175.5	-172.8	174.4	0	115.4
554	S	27.1	Very low	27.4	Very low	116 Å²	116	162.5 Å²	162.5	81%	0.811	81%	0.81	S	S	*	*			trans	-168.6	129.9	153.7	49.6	0	0	0	0	113.4
555	I	29.1	Very low	27.4	Very low	167 Å²	167	162.4 Å²	162.4	86%	0.856	80%	0.803	S	S	*	*				-175	144.8	129.8	-97.7	162.3	0	0	0	108
556	P	34.9	Very low	27.5	Very low	99 Å²	99	160.2 Å²	160.2	64%	0.643	80%	0.802	S	S	*	*			trans	-138.8	173	-133.2	42.6	-25.7	0	0	0	117.8
557	R	27.8	Very low	27.9	Very low	221 Å²	221	161 Å²	161	83%	0.834	80%	0.801	S	S	*	*			trans	48.1	121.8	147.3	-69.1	165.9	-176.4	165.5	1.6	118.9
558	N	29.8	Very low	28.2	Very low	152 Å²	152	159.4 Å²	159.4	81%	0.813	79%	0.793	S	S	*	*				-178.5	123.2	106.8	-93.3	-32.7	0	0	0	113.5
559	L	30	Very low	28.6	Very low	165 Å²	165	156.9 Å²	156.9	86%	0.864	79%	0.786	S	S	*	*				-168.7	154.6	116.6	-126.5	73.6	0	0	0	111.1
560	R	25.8	Very low	29.1	Very low	234 Å²	234	156.3 Å²	156.3	88%	0.883	78%	0.783	S	S	*	*			trans	-127.7	149.4	166	-81.2	175.8	164.2	173	-5	107.4
561	L	31.3	Very low	29.5	Very low	152 Å²	152	159.9 Å²	159.9	80%	0.796	79%	0.785	S	S	*	*			trans	166.2	112.7	150.9	-90	154.6	0	0	0	107.3
562	T	29.7	Very low	29.9	Very low	116 Å²	116	164.5 Å²	164.5	71%	0.712	79%	0.788	S	S	*	*				64.9	148	96.3	60.4	0	0	0	0	117.3
563	R	26.2	Very low	30.2	Very low	191 Å²	191	163.1 Å²	163.1	72%	0.721	79%	0.787	S	S	*	*			cis	179.6	126.9	-14.4	173.4	-175.6	-161.1	-159.3	11	111.3
564	R	27.6	Very low	30.7	Very low	177 Å²	177	157.8 Å²	157.8	67%	0.668	78%	0.777	S	S	*	*			trans	68.3	137.5	154.9	-75.1	175.5	171.6	-178.2	-3.8	122.5
565	R	28	Very low	31.2	Very low	212 Å²	212	159 Å²	159	80%	0.8	78%	0.779	S	S	*	*			trans	73.9	157.9	136.3	-78.3	-178	171.5	-170.8	-4.2	118
566	C	27.3	Very low	31.4	Very low	89 Å²	89	156.7 Å²	156.7	60%	0.601	78%	0.778	S	S	*	*			cis	-157.2	176.8	6.5	-136.3	0	0	0	0	115.2
567	H	33.8	Very low	31.5	Very low	188 Å²	188	162.2 Å²	162.2	87%	0.87	79%	0.786	S	S	*	*			trans	80.2	137	162.7	-59.4	-9.5	0	0	0	118.8
568	G	31.7	Very low	31.8	Very low	59 Å²	59	157.6 Å²	157.6	61%	0.608	78%	0.778	S	S	*	*			cis	164.9	153.2	-17.3	0	0	0	0	0	117.5
569	T	34.1	Very low	32.1	Very low	119 Å²	119	154.1 Å²	154.1	73%	0.73	77%	0.765	S	S	*	*			trans	62.3	148.8	156.4	66.7	0	0	0	0	119.7
570	K	34.1	Very low	32.3	Very low	184 Å²	184	150.9 Å²	150.9	80%	0.8	76%	0.756	S	S	*	*			cis	-129.9	-155.1	3.2	-90.9	111.9	-166.3	163.9	0	107.8
571	R	33.2	Very low	32.7	Very low	241 Å²	241	148.5 Å²	148.5	91%	0.909	75%	0.753	S	S	*	*			cis	-142.8	-103.9	3.6	-159.4	173.3	-176.4	161.8	0	113.7
572	K	34.2	Very low	32.7	Very low	189 Å²	189	147.3 Å²	147.3	82%	0.822	75%	0.751	S	S	*	*			trans	-161.9	168.5	-166.3	-74.2	-163	177.6	-178.7	0	108.2
573	V	34.1	Very low	32.8	Very low	144 Å²	144	146.4 Å²	146.4	87%	0.873	76%	0.756	S	S	*	*			cis	-136.7	171.8	43	174.8	0	0	0	0	112.5
574	S	35.5	Very low	33	Very low	99 Å²	99	143.4 Å²	143.4	69%	0.692	76%	0.763	S	S	*	*			trans	-158.1	153.9	-160.1	58.2	0	0	0	0	114.3
575	T	36.9	Very low	33.2	Very low	140 Å²	140	144 Å²	144	86%	0.859	77%	0.77	S	S	*	*			trans	-147.9	144.3	156.1	21.1	0	0	0	0	110.3
576	S	34.1	Very low	33.7	Very low	119 Å²	119	139.3 Å²	139.3	83%	0.832	77%	0.767	S	S	*	*			trans	43.3	114.3	163.8	-114.5	0	0	0	0	119.9
577	R	35.5	Very low	33.8	Very low	215 Å²	215	139.4 Å²	139.4	81%	0.811	77%	0.769	S	S	*	*			cis	63.7	142.4	11.5	-65.7	-158.9	166.6	-176.1	-3.9	116.1
578	N	34.2	Very low	33.7	Very low	124 Å²	124	139.5 Å²	139.5	66%	0.663	76%	0.763	S	S	*	*			cis	-167	168.9	-2.1	-112.7	18	0	0	0	109.6
579	S	37.1	Very low	33.7	Very low	79 Å²	79	144.5 Å²	144.5	55%	0.552	78%	0.775	S	S	*	*			cis	179.5	128.2	-35.1	55.4	0	0	0	0	114
580	S	33.8	Very low	33.3	Very low	97 Å²	97	143 Å²	143	68%	0.678	77%	0.769	S	S	*	*			trans	74.2	159.5	140.8	74.8	0	0	0	0	124.1
581	K	34.2	Very low	33.1	Very low	185 Å²	185	142.3 Å²	142.3	80%	0.804	77%	0.773	S	S	*	*			trans	87	147.9	159.6	-59.8	177.2	-174.6	178.5	0	118.2
582	T	32.1	Very low	33	Very low	126 Å²	126	136 Å²	136	77%	0.773	77%	0.766	S	S	*	*			cis	-165.5	153.1	-11.8	18.7	0	0	0	0	112.2
583	A	31.6	Very low	33.3	Very low	97 Å²	97	132.3 Å²	132.3	80%	0.802	76%	0.761	S	S	*	*			trans	66.6	159.4	157.8	0	0	0	0	0	117.7
584	C	29.9	Very low	33.1	Very low	128 Å²	128	129.2 Å²	129.2	87%	0.865	75%	0.746	S	S	*	*			cis	-144.5	-179.1	3.3	-145.9	0	0	0	0	113.1
585	K	32.1	Very low	32.9	Very low	191 Å²	191	133.3 Å²	133.3	83%	0.83	75%	0.752	S	S	*	*			trans	-128.9	159.7	173	-122.5	-179.1	-175.6	-177.5	0	108.1
586	P	37.9	Very low	32.8	Very low	112 Å²	112	134.9 Å²	134.9	73%	0.727	75%	0.752	S	S	*	*				-150.5	-168.1	70.7	40.6	-19.4	0	0	0	116.2
587	S	30.6	Very low	32.6	Very low	92 Å²	92	133.4 Å²	133.4	64%	0.643	74%	0.741	S	S	*	*			trans	-67.9	176.9	168.2	45.2	0	0	0	0	112.3
588	Y	31.5	Very low	32.5	Very low	189 Å²	189	128.7 Å²	128.7	74%	0.741	74%	0.74	S	S	*	*			cis	-170	162.8	42	28.3	-108.9	0	0	0	112.5
589	L	30.8	Very low	32.4	Very low	164 Å²	164	129.3 Å²	129.3	86%	0.859	74%	0.744	S	S	*	*			trans	63.9	159.6	168.7	-62.4	164.6	0	0	0	115.7
590	S	26.7	Very low	32.2	Very low	88 Å²	88	132 Å²	132	62%	0.615	76%	0.756	S	S	*	*			cis	-169.3	164.1	-23.9	53	0	0	0	0	110.1
591	L	29.7	Very low	32.3	Very low	170 Å²	170	131.3 Å²	131.3	89%	0.89	76%	0.757	S	S	*	*			trans	72.3	146.9	160.3	-67.2	160	0	0	0	119.9
592	S	31.7	Very low	32.3	Very low	108 Å²	108	133.5 Å²	133.5	76%	0.755	76%	0.76	S	S	*	*			trans	-97.3	178.3	160.4	-47.5	0	0	0	0	108.5
593	P	38.8	Very low	32.4	Very low	111 Å²	111	132.8 Å²	132.8	72%	0.721	76%	0.76	S	S	*	*			cis	-145.1	180	16.3	43.7	-23.1	0	0	0	118.1
594	S	30.3	Very low	32.5	Very low	80 Å²	80	133.7 Å²	133.7	56%	0.559	76%	0.761	S	S	*	*			trans	27.1	134.6	147.2	61.3	0	0	0	0	122.8
595	F	32	Very low	32.9	Very low	185 Å²	185	133.9 Å²	133.9	81%	0.811	76%	0.76	S	S	*	*				178.4	142	99.8	-98.5	-63.1	0	0	0	115.7
596	M	34	Very low	32.9	Very low	172 Å²	172	129.9 Å²	129.9	85%	0.847	76%	0.757	S	S	*	*			trans	62.5	159.8	152.7	-62.3	-172.6	105.3	0	0	121.7
597	S	30.1	Very low	32.6	Very low	88 Å²	88	134.3 Å²	134.3	62%	0.615	77%	0.767	S	S	*	*			cis	-173.6	133.4	-35.1	-175.3	0	0	0	0	112.6
598	C	32.9	Very low	32.4	Very low	117 Å²	117	135.6 Å²	135.6	79%	0.791	78%	0.775	S	S	*	*			trans	-162	127	147.2	48.4	0	0	0	0	107.8
599	N	31.9	Very low	32.4	Very low	137 Å²	137	132 Å²	132	73%	0.733	78%	0.777	S	S	*	*				58.9	121.9	60.8	-68.2	-6.9	0	0	0	112.3
600	T	34.3	Very low	32.3	Very low	134 Å²	134	129.4 Å²	129.4	82%	0.822	77%	0.773	S	S	*	*			cis	-159.7	177	4.1	-3.4	0	0	0	0	107.9
601	A	35.9	Very low	33	Very low	84 Å²	84	130.5 Å²	130.5	69%	0.694	78%	0.778	S	S	*	*			cis	-153.5	151.8	9.4	0	0	0	0	0	108.1
602	R	34.2	Very low	33	Very low	231 Å²	231	127.9 Å²	127.9	87%	0.872	77%	0.765	S	S	*	*				105.8	98.9	65.8	-170.6	-175.7	-163.4	-126.7	5.4	113
603	S	33.6	Very low	33	Very low	110 Å²	110	132.4 Å²	132.4	77%	0.769	77%	0.766	S	S	*	*			trans	41.8	127.2	143.5	-42.9	0	0	0	0	122.6
604	S	33.4	Very low	32.5	Very low	116 Å²	116	132.6 Å²	132.6	81%	0.811	77%	0.765	S	S	*	*			trans	-63.5	165.1	159.5	-34.2	0	0	0	0	113.2
605	P	38.8	Very low	32.5	Very low	132 Å²	132	138.3 Å²	138.3	86%	0.857	78%	0.78	S	S	*	*				-136.8	179.2	110.7	39.2	-29.2	0	0	0	114.1
606	S	31.4	Very low	32.3	Very low	108 Å²	108	132.8 Å²	132.8	76%	0.755	77%	0.769	S	S	*	*			trans	-93.7	152.8	-169.8	51	0	0	0	0	115.3
607	Q	32.1	Very low	32.2	Very low	204 Å²	204	131.4 Å²	131.4	95%	0.953	77%	0.765	S	S	*	*			trans	-161.2	172.2	132.4	-117	170.9	86	0	0	113.9
608	C	26.1	Very low	32.3	Very low	120 Å²	120	134.9 Å²	134.9	81%	0.811	77%	0.771	S	S	*	*			trans	-92.5	144.5	-157.4	-178	0	0	0	0	114.9
609	S	30.8	Very low	32.1	Very low	112 Å²	112	134.6 Å²	134.6	78%	0.783	77%	0.766	S	S	*	*			trans	-159.5	155.4	150.3	60.5	0	0	0	0	112.8
610	S	29.8	Very low	32	Very low	111 Å²	111	134.7 Å²	134.7	78%	0.776	77%	0.766	S	S	*	*			trans	-160.5	174.2	176.1	-54.9	0	0	0	0	106.8
611	P	41.1	Very low	31.8	Very low	111 Å²	111	132.2 Å²	132.2	72%	0.721	75%	0.754	S	S	*	*			cis	-134.8	-151.2	0.1	41.9	-21.7	0	0	0	113.3
612	D	30.2	Very low	31.4	Very low	115 Å²	115	136.6 Å²	136.6	62%	0.615	76%	0.761	S	S	*	*			trans	101.1	120.5	147	-92.3	17.6	0	0	0	123.8
613	R	32.1	Very low	30.9	Very low	203 Å²	203	130.1 Å²	130.1	77%	0.766	75%	0.75	S	S	*	*			trans	82.4	91.1	136.1	-68.2	177.1	-158.1	-97.8	-13.8	124.3
614	T	27	Very low	30.7	Very low	114 Å²	114	130.2 Å²	130.2	70%	0.699	75%	0.751	S	S	*	*				49.5	149.9	109.1	56.4	0	0	0	0	124.3
615	F	30.8	Very low	30.3	Very low	200 Å²	200	129.1 Å²	129.1	88%	0.877	74%	0.743	S	S	*	*			trans	78.7	144.3	171.1	-67.3	-93.6	0	0	0	116.7
616	A	28.5	Very low	29.9	Very low	70 Å²	70	130.7 Å²	130.7	58%	0.579	74%	0.744	S	S	*	*			cis	-172.9	178	-24.4	0	0	0	0	0	109.8
617	N	31.9	Very low	29.7	Very low	143 Å²	143	131.8 Å²	131.8	77%	0.765	74%	0.741	S	S	*	*			trans	72.7	144.9	163.9	-64.4	-2.6	0	0	0	117.2
618	Q	31.2	Very low	29.4	Very low	160 Å²	160	127.6 Å²	127.6	75%	0.748	74%	0.735	S	S	*	*			cis	-163.7	172.1	-25.8	-134.2	173.5	-9.4	0	0	109.2
619	V	29.1	Very low	29.6	Very low	111 Å²	111	127.6 Å²	127.6	67%	0.673	73%	0.731	S	S	*	*			trans	-5	154.9	161.8	-67.1	0	0	0	0	120.3
620	D	29.5	Very low	29.4	Very low	139 Å²	139	131.2 Å²	131.2	74%	0.743	74%	0.736	S	S	*	*			cis	-164.3	177.3	18.6	-126.9	-28.3	0	0	0	109
621	S	30.3	Very low	29.4	Very low	82 Å²	82	133.4 Å²	133.4	57%	0.573	74%	0.738	S	S	*	*			cis	-160.5	-164	-6.8	-147.5	0	0	0	0	110.9
622	E	27.6	Very low	28.8	Very low	177 Å²	177	137.4 Å²	137.4	83%	0.827	75%	0.747	S	S	*	*			trans	43.5	150.4	146.6	-70.1	175.6	-179.8	0	0	122.5
623	S	23.8	Very low	28.9	Very low	94 Å²	94	140.1 Å²	140.1	66%	0.657	76%	0.755	S	S	*	*			cis	-174.1	167.4	-27.5	63.6	0	0	0	0	109.5
624	S	28.6	Very low	28.9	Very low	112 Å²	112	137.6 Å²	137.6	78%	0.783	76%	0.757	S	S	*	*			trans	74.1	151.8	163.3	82.4	0	0	0	0	119
625	S	25.6	Very low	29.3	Very low	93 Å²	93	136.1 Å²	136.1	65%	0.65	75%	0.751	S	S	*	*			cis	-174.7	157.1	-26.6	54.2	0	0	0	0	110.3
626	L	30.5	Very low	29.4	Very low	166 Å²	166	133 Å²	133	87%	0.869	74%	0.744	S	S	*	*			trans	69.4	152.3	172.2	-44.9	174	0	0	0	114.1
627	D	28.1	Very low	29.9	Very low	130 Å²	130	135.1 Å²	135.1	70%	0.695	75%	0.75	S	S	*	*			cis	-136.4	153.2	-0.7	-170.7	18.3	0	0	0	109.8
628	S	24.3	Very low	30	Very low	117 Å²	117	129.2 Å²	129.2	82%	0.818	72%	0.723	S	S	*	*			trans	-131.8	96.4	-178.9	-69.8	0	0	0	0	110
629	T	31.3	Very low	30.4	Very low	120 Å²	120	128.7 Å²	128.7	74%	0.736	72%	0.722	S	S	*	*			trans	-91.1	128	176	29	0	0	0	0	111
630	E	26	Very low	30.8	Very low	188 Å²	188	130.5 Å²	130.5	88%	0.879	72%	0.724	S	S	*	*			trans	-67.9	135.2	-179.5	-61.7	168.9	136	0	0	110.8
631	L	30.8	Very low	31.1	Very low	156 Å²	156	128.5 Å²	128.5	82%	0.817	72%	0.72	S	S	*	*			trans	-134.5	89.3	170.1	-74.7	177.1	0	0	0	108.9	H633	L631-H633 PolarHBondContact O-N 3.32Å; L631-H633 VanDerWaalsContact O-N 3.17Å
632	E	27.4	Very low	31.2	Very low	196 Å²	196	132.8 Å²	132.8	92%	0.916	73%	0.733	S	S	*	*			trans	-57.7	116.7	166.5	-63.6	-171.5	128.8	0	0	108.9
633	H	33.5	Very low	31.3	Very low	171 Å²	171	128.6 Å²	128.6	79%	0.792	72%	0.723	S	S	*	*			trans	-104.9	85.1	-176	-141.4	64.5	0	0	0	110.6	L631 S635	L631-H633 PolarHBondContact O-N 3.32Å; L631-H633 VanDerWaalsContact O-N 3.17Å; H633-S635 PolarHBondContact O-N 3.07Å
634	D	30.2	Very low	31.4	Very low	150 Å²	150	130.3 Å²	130.3	80%	0.802	74%	0.735	S	S	*	*			trans	-60.5	107.7	-178.8	-132.3	-11.7	0	0	0	110.4	D636	D634-D636 PolarHBondContact O-N 3.3Å
635	S	36.9	Very low	31.4	Very low	83 Å²	83	128 Å²	128	58%	0.58	72%	0.724	S	S	*	*			trans	-100.5	59.5	-168.2	33.4	0	0	0	0	111.5	H633 T637	H633-S635 PolarHBondContact O-N 3.07Å; S635-T637 PolarHBondContact O-N 3.27Å; S635-T637 PolarHBondContact O-OG1 3.1Å; S635-T637 VanDerWaalsContact O-OG1 3.06Å
636	D	33.4	Very low	31.4	Very low	135 Å²	135	133.5 Å²	133.5	72%	0.722	74%	0.739	S	S	*	*			trans	-67.2	69.9	-172.7	-168.3	21	0	0	0	114	D634	D634-D636 PolarHBondContact O-N 3.3Å
637	T	37.9	Very low	31.4	Very low	114 Å²	114	131.9 Å²	131.9	70%	0.699	74%	0.736	S	S	*	*			trans	-114	6.7	-175.4	54.3	0	0	0	0	112.8	S635 M639	S635-T637 PolarHBondContact O-N 3.27Å; S635-T637 PolarHBondContact O-OG1 3.1Å; S635-T637 VanDerWaalsContact O-OG1 3.06Å; T637-M639 PolarHBondContact O-N 3.48Å
638	G	35.1	Very low	31.4	Very low	20 Å²	20	129.7 Å²	129.7	21%	0.206	74%	0.736	C	S	.	*	T	Hydrogen-bonded Turn	trans	-80	-4.1	-173	0	0	0	0	0	116.4
639	M	38.3	Very low	31.6	Very low	148 Å²	148	131.3 Å²	131.3	73%	0.729	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-17.4	-165.1	-75.3	-84.1	-80.9	0	0	115.8	T637 S641	T637-M639 PolarHBondContact O-N 3.48Å; M639-S641 PolarHBondContact O-N 3.1Å
640	E	37.4	Very low	31.5	Very low	150 Å²	150	135.6 Å²	135.6	70%	0.701	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-72.6	-26.3	-170.9	-63.3	-162.8	132.7	0	0	114.3	M642 S643	E640-M642 PolarHBondContact O-N 2.99Å; E640-M642 VanDerWaalsContact O-N 3.09Å; E640-S643 PolarHBondContact O-N 3.12Å
641	S	35.5	Very low	31.8	Very low	96 Å²	96	133.9 Å²	133.9	67%	0.671	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-71.8	-2.8	-172.6	-61.9	0	0	0	0	115.5	M639	M639-S641 PolarHBondContact O-N 3.1Å
642	M	32.7	Very low	31.7	Very low	172 Å²	172	134.1 Å²	134.1	85%	0.847	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-110.8	0.5	178.3	-70.9	-139.3	71.3	0	0	115.2	E640	E640-M642 PolarHBondContact O-N 2.99Å; E640-M642 VanDerWaalsContact O-N 3.09Å
643	S	29.3	Very low	31.8	Very low	89 Å²	89	133 Å²	133	62%	0.622	73%	0.73	S	S	*	*			trans	-132.5	67.4	-175.3	-171.8	0	0	0	0	114.1	E640 A645	E640-S643 PolarHBondContact O-N 3.12Å; S643-A645 VanDerWaalsContact C-N 3.3Å; S643-A645 PolarHBondContact O-N 2.95Å; S643-A645 VanDerWaalsContact O-N 3.15Å
644	S	25.9	Very low	31.6	Very low	130 Å²	130	131.4 Å²	131.4	91%	0.909	73%	0.725	S	S	*	*			trans	-84.2	69	166.5	-69.2	0	0	0	0	111.6
645	A	29.8	Very low	31.5	Very low	65 Å²	65	129.7 Å²	129.7	54%	0.537	72%	0.723	S	S	.	*			trans	-137.5	105	173.4	0	0	0	0	0	110.3	S643 T647	S643-A645 VanDerWaalsContact C-N 3.3Å; S643-A645 PolarHBondContact O-N 2.95Å; S643-A645 VanDerWaalsContact O-N 3.15Å; A645-T647 PolarHBondContact O-N 3Å; A645-T647 VanDerWaalsContact O-N 3.13Å
646	E	25.8	Very low	31	Very low	207 Å²	207	131.9 Å²	131.9	97%	0.967	73%	0.733	S	S	*	*			trans	-68.6	107.3	175.9	-64.2	-175.7	120.6	0	0	110.6
647	T	30.7	Very low	30.8	Very low	132 Å²	132	134.2 Å²	134.2	81%	0.81	74%	0.737	S	S	*	*			trans	-102.2	114.5	173.1	10.9	0	0	0	0	111.4	A645	A645-T647 PolarHBondContact O-N 3Å; A645-T647 VanDerWaalsContact O-N 3.13Å
648	A	27.5	Very low	30.3	Very low	84 Å²	84	135 Å²	135	69%	0.694	75%	0.746	S	S	*	*			trans	-80.2	139.8	172.4	0	0	0	0	0	111.8
649	N	27.5	Very low	30.3	Very low	152 Å²	152	139 Å²	139	81%	0.813	77%	0.771	S	S	*	*			trans	42.6	89.8	155.6	-62.2	-22.1	0	0	0	118.7
650	F	30.7	Very low	29.8	Very low	210 Å²	210	139 Å²	139	92%	0.921	77%	0.774	S	S	*	*			trans	-96.9	105.6	150.1	-102.9	-88.3	0	0	0	110.7
651	K	31	Very low	29.7	Very low	152 Å²	152	138 Å²	138	66%	0.661	78%	0.781	S	S	*	*			trans	-83.3	117.2	166.2	-75.5	176	-175.5	167.4	0	109	E545	E545-K651 IonicContact OE2-NZ 3.05Å; E545-K651 PolarHBondContact OE2-NZ 3.48Å
652	H	28.4	Very low	29.4	Very low	160 Å²	160	138.3 Å²	138.3	74%	0.741	78%	0.783	S	S	*	*			trans	29.1	96.2	139.8	-144.3	-88.7	0	0	0	118.1	M654	H652-M654 WeakPolarHBondContact CE1-CG 3.23Å
653	L	30.9	Very low	29.5	Very low	173 Å²	173	136.6 Å²	136.6	91%	0.906	78%	0.782	S	S	*	*			trans	-112.2	127.2	152.8	-132.9	76.3	0	0	0	108.2
654	M	28.8	Very low	29.6	Very low	137 Å²	137	140.4 Å²	140.4	68%	0.675	79%	0.792	S	S	*	*			trans	-98	155.3	171.2	-65.4	-146.6	73.9	0	0	110.1	H652 T656	H652-M654 WeakPolarHBondContact CE1-CG 3.23Å; M654-T656 PolarHBondContact O-N 2.82Å
655	C	28.3	Very low	29.9	Very low	115 Å²	115	139.9 Å²	139.9	78%	0.777	79%	0.786	S	S	*	*			trans	-67.5	126.8	170.3	-175.4	0	0	0	0	110
656	T	26.8	Very low	29.8	Very low	128 Å²	128	141.6 Å²	141.6	79%	0.785	79%	0.792	S	S	*	*			trans	-113	65.7	177.5	-47.9	0	0	0	0	109.9	M654	M654-T656 PolarHBondContact O-N 2.82Å
657	F	28.8	Very low	30	Very low	184 Å²	184	139.2 Å²	139.2	81%	0.807	79%	0.786	S	S	*	*			trans	-135.6	69.6	169.9	-91.3	-74.4	0	0	0	110.7
658	C	26.7	Very low	29.9	Very low	130 Å²	130	137.6 Å²	137.6	88%	0.878	78%	0.78	S	S	*	*			trans	-120.1	122	156.8	-67.4	0	0	0	0	107
659	S	35.9	Very low	29.9	Very low	106 Å²	106	138.2 Å²	138.2	74%	0.741	78%	0.779	S	S	*	*			trans	-130.2	120.9	173.2	-59.3	0	0	0	0	108.3
660	D	27.5	Very low	30.1	Very low	146 Å²	146	138.5 Å²	138.5	78%	0.781	78%	0.78	S	S	*	*			trans	-64.7	150.4	178.4	-63.8	-76.8	0	0	0	112.2
661	P	35.2	Very low	30.1	Very low	131 Å²	131	135.6 Å²	135.6	85%	0.851	77%	0.774	S	S	*	*			trans	-120.6	98.5	139.8	33.4	-24.5	0	0	0	110.1
662	S	29.6	Very low	30.1	Very low	102 Å²	102	136.5 Å²	136.5	71%	0.713	78%	0.781	S	S	*	*			trans	-110.5	85.6	176.5	47.5	0	0	0	0	111.7
663	T	34.3	Very low	30.5	Very low	135 Å²	135	133.8 Å²	133.8	83%	0.828	78%	0.777	S	S	*	*			trans	-144.3	95.6	167.3	-47.3	0	0	0	0	111.3
664	M	30.5	Very low	30.8	Very low	169 Å²	169	133.8 Å²	133.8	83%	0.833	78%	0.775	S	S	*	*			trans	-86.6	150.1	153.1	-91.9	-78	-168.8	0	0	108.3
665	P	33.9	Very low	31.4	Very low	120 Å²	120	132.8 Å²	132.8	78%	0.779	78%	0.778	S	S	*	*				-131.3	159.2	106.8	37.5	-31.2	0	0	0	113.3
666	C	26.5	Very low	31.6	Very low	100 Å²	100	134.3 Å²	134.3	68%	0.676	78%	0.779	S	S	*	*			trans	-105.8	155	-179.4	50.6	0	0	0	0	111.9
667	L	29.9	Very low	32	Very low	158 Å²	158	135.9 Å²	135.9	83%	0.827	78%	0.782	S	S	*	*				171.6	151.3	118.9	-90.9	165.4	0	0	0	114.9
668	S	28.3	Very low	32.3	Very low	98 Å²	98	133.3 Å²	133.3	69%	0.685	78%	0.782	S	S	*	*			trans	60.9	110.5	147.6	59.7	0	0	0	0	123.2
669	S	27.5	Very low	32.5	Very low	96 Å²	96	132.2 Å²	132.2	67%	0.671	78%	0.776	S	S	*	*				61.1	122.7	127.6	63.9	0	0	0	0	122.8
670	N	32.7	Very low	32.7	Very low	158 Å²	158	133.6 Å²	133.6	85%	0.845	77%	0.773	S	S	*	*				-163.5	171.2	100.5	-91.6	-29.2	0	0	0	111.9
671	N	30.8	Very low	33	Very low	150 Å²	150	133 Å²	133	80%	0.802	78%	0.775	S	S	*	*			trans	-105.5	-179.9	-167.7	-63.5	-18.8	0	0	0	114.2
672	E	31.9	Very low	33	Very low	171 Å²	171	132.7 Å²	132.7	80%	0.799	77%	0.774	S	S	*	*			trans	77.4	151.3	159.9	-64.9	-76.6	91.5	0	0	117.2
673	P	36.4	Very low	33.5	Very low	102 Å²	102	131.9 Å²	131.9	66%	0.662	77%	0.769	S	S	*	*				-134.4	178.6	-63.6	33.5	-14.4	0	0	0	113.2
674	M	36.7	Very low	33.8	Very low	174 Å²	174	130.6 Å²	130.6	86%	0.857	76%	0.756	S	S	*	*			trans	-77.7	157.9	168.4	-79.4	-71.7	-178.5	0	0	112.3
675	P	41.4	Very low	34.7	Very low	115 Å²	115	129.3 Å²	129.3	75%	0.747	75%	0.752	S	S	*	*				-125.9	159.2	128.1	37.1	-31.5	0	0	0	112.9
676	D	31.4	Very low	35.7	Very low	148 Å²	148	128.6 Å²	128.6	79%	0.791	75%	0.747	S	S	*	*			trans	-76.4	153.3	-173.7	-47.4	-93.8	0	0	0	114.2
677	D	36.3	Very low	37	Very low	160 Å²	160	131 Å²	131	86%	0.856	75%	0.746	S	S	*	*			trans	-152.3	133.7	140	-140.1	-24.3	0	0	0	112.4
678	V	34.2	Very low	38.4	Very low	131 Å²	131	126 Å²	126	79%	0.794	73%	0.728	S	S	*	*			trans	-106.8	83	-167.2	-178.1	0	0	0	0	110.5
679	S	32.3	Very low	40	Very low	107 Å²	107	127.2 Å²	127.2	75%	0.748	73%	0.726	S	S	*	*			trans	-149	26.3	-174.9	-142.3	0	0	0	0	117.8
680	I	39.4	Very low	42.2	Very low	134 Å²	134	126.6 Å²	126.6	69%	0.687	72%	0.719	S	S	*	*			trans	-132.3	69.1	172.6	-44.6	-178.4	0	0	0	112.4	S683	I680-S683 WeakPolarHBondContact CG2-OG 3.42Å
681	V	34.1	Very low	44.1	Very low	135 Å²	135	124.3 Å²	124.3	82%	0.818	71%	0.706	S	S	*	*	S	Bend	trans	-128.1	62	172	-168.3	0	0	0	0	110.9
682	C	35.3	Very low	46.2	Very low	124 Å²	124	122.5 Å²	122.5	84%	0.838	70%	0.696	S	S	*	*	S	Bend	trans	-160	-1.1	167.4	-105	0	0	0	0	116.6
683	S	39.1	Very low	48.2	Very low	85 Å²	85	120.6 Å²	120.6	59%	0.594	69%	0.686	S	S	*	*	S	Bend	trans	-116.8	7.1	-164.4	53.4	0	0	0	0	116.7	I680	I680-S683 WeakPolarHBondContact CG2-OG 3.42Å
684	L	41.7	Very low	50.3	Low	107 Å²	107	120.4 Å²	120.4	56%	0.56	68%	0.68	S	S	*	*			trans	-111.3	-1.9	-174.5	-71.4	172.1	0	0	0	115.8	P686 K687	L684-P686 VanDerWaalsContact C-CD 3.42Å; L684-K687 HydrophobicContact CD2-CD 4.06Å; L684-K687 PolarHBondContact O-N 3.17Å
685	L	50.1	Low	52.5	Low	142 Å²	142	116.7 Å²	116.7	74%	0.743	66%	0.663	S	S	*	*	H	α-helix	trans	-52.6	-37.5	-176.4	-76.2	163.4	0	0	0	115.4	K687 A688	L685-K687 PolarHBondContact O-N 3.43Å; L685-K687 VanDerWaalsContact O-N 3.17Å; L685-A688 PolarHBondContact O-N 3.44Å
686	P	53.8	Low	54.6	Low	106 Å²	106	115.3 Å²	115.3	69%	0.688	65%	0.652	S	S	*	*	H	α-helix	trans	-64.7	-18.4	177.5	-23.8	35.2	0	0	0	115.1	L684	L684-P686 VanDerWaalsContact C-CD 3.42Å
687	K	54.6	Low	57.2	Low	150 Å²	150	112.6 Å²	112.6	65%	0.652	64%	0.638	S	S	*	*	H	α-helix	trans	-88.7	-16.1	-177.1	-62.7	-173.2	-178	178.5	0	113.6	L684 L685 L691	L684-K687 HydrophobicContact CD2-CD 4.06Å; L684-K687 PolarHBondContact O-N 3.17Å; L685-K687 PolarHBondContact O-N 3.43Å; L685-K687 VanDerWaalsContact O-N 3.17Å; K687-L691 PolarHBondContact O-N 2.92Å
688	A	57.7	Low	59.6	Low	54 Å²	54	110.1 Å²	110.1	45%	0.446	62%	0.624	S	S	.	*	H	α-helix	trans	-67.2	-42.5	-178.6	0	0	0	0	0	112.4	L685 L691 L692	L685-A688 PolarHBondContact O-N 3.44Å; A688-L691 PolarHBondContact O-N 3.12Å; A688-L692 PolarHBondContact O-N 3.25Å
689	N	63.3	Low	62.2	Low	122 Å²	122	112.2 Å²	112.2	65%	0.652	62%	0.617	S	S	*	*	H	α-helix	trans	-65.9	-43.7	-178.7	-68.9	6.2	0	0	0	112	L691 L692 E693	N689-L691 VanDerWaalsContact C-N 3.27Å; N689-L691 PolarHBondContact O-N 2.87Å; N689-L692 PolarHBondContact O-N 2.87Å; N689-L692 VanDerWaalsContact O-N 3.13Å; N689-E693 WeakPolarHBondContact O-CB 3.41Å; N689-E693 PolarHBondContact O-N 2.84Å
690	V	72.5	Confident	64.8	Low	84 Å²	84	115.1 Å²	115.1	51%	0.509	61%	0.612	S	S	.	*	H	α-helix	trans	-62.5	-36.1	177.5	-177.4	0	0	0	0	111.3	L694	V690-L694 HydrophobicContact CG1-CD1 4.31Å; V690-L694 WeakPolarHBondContact O-CB 3.48Å; V690-L694 PolarHBondContact O-N 2.94Å
691	L	72.3	Confident	67.1	Low	109 Å²	109	113.7 Å²	113.7	57%	0.571	61%	0.605	S	S	*	*	H	α-helix	trans	-67.4	-40.5	174.5	-168.5	73.9	0	0	0	111.8	K687 A688 N689 L695	K687-L691 PolarHBondContact O-N 2.92Å; A688-L691 PolarHBondContact O-N 3.12Å; N689-L691 VanDerWaalsContact C-N 3.27Å; N689-L691 PolarHBondContact O-N 2.87Å; L691-L695 HydrophobicContact CG-CD1 4.29Å; L691-L695 WeakPolarHBondContact O-CB 3.37Å; L691-L695 VanDerWaalsContact O-CG 3.25Å; L691-L695 WeakPolarHBondContact O-CG 3.21Å; L691-L695 PolarHBondContact O-N 3.02Å
692	L	75.8	Confident	69.7	Low	113 Å²	113	113.5 Å²	113.5	59%	0.592	60%	0.595	S	S	*	*	H	α-helix	trans	-68.1	-38.4	178.4	-174.5	63.2	0	0	0	112.3	A688 N689 L695 T696	A688-L692 PolarHBondContact O-N 3.25Å; N689-L692 PolarHBondContact O-N 2.87Å; N689-L692 VanDerWaalsContact O-N 3.13Å; L692-L695 PolarHBondContact O-N 3.38Å; L692-T696 PolarHBondContact O-N 3.25Å; L692-T696 PolarHBondContact O-OG1 2.92Å
693	E	74.4	Confident	72.4	Confident	130 Å²	130	111.7 Å²	111.7	61%	0.607	58%	0.577	S	S	*	*	H	α-helix	trans	-63.6	-49.4	174.3	-165.7	164.7	-148.9	0	0	110.5	N689 L695 T696 D697	N689-E693 WeakPolarHBondContact O-CB 3.41Å; N689-E693 PolarHBondContact O-N 2.84Å; E693-L695 VanDerWaalsContact C-N 3.33Å; E693-L695 PolarHBondContact O-N 3.31Å; E693-T696 WeakPolarHBondContact O-CA 3.32Å; E693-T696 WeakPolarHBondContact O-CB 3.34Å; E693-T696 PolarHBondContact O-N 3.37Å; E693-D697 PolarHBondContact O-N 3.42Å
694	L	79.2	Confident	74.8	Confident	99 Å²	99	112 Å²	112	52%	0.518	57%	0.572	S	S	.	*	H	α-helix	trans	-57.9	-39.1	173.2	-86.1	164.6	0	0	0	113.7	V690 T696 L698	V690-L694 HydrophobicContact CG1-CD1 4.31Å; V690-L694 WeakPolarHBondContact O-CB 3.48Å; V690-L694 PolarHBondContact O-N 2.94Å; L694-T696 VanDerWaalsContact C-N 3.31Å; L694-L698 VanDerWaalsContact O-CB 3.32Å; L694-L698 WeakPolarHBondContact O-CB 3.48Å; L694-L698 VanDerWaalsContact O-CG 3.31Å; L694-L698 WeakPolarHBondContact O-CG 3.42Å; L694-L698 PolarHBondContact O-N 2.9Å
695	L	83.5	Confident	77.1	Confident	96 Å²	96	112.3 Å²	112.3	50%	0.503	57%	0.573	S	S	.	*	H	α-helix	trans	-67.8	-31.7	175.3	-75.4	167.4	0	0	0	112.4	L691 L692 E693 R699	L691-L695 HydrophobicContact CG-CD1 4.29Å; L691-L695 WeakPolarHBondContact O-CB 3.37Å; L691-L695 VanDerWaalsContact O-CG 3.25Å; L691-L695 WeakPolarHBondContact O-CG 3.21Å; L691-L695 PolarHBondContact O-N 3.02Å; L692-L695 PolarHBondContact O-N 3.38Å; E693-L695 VanDerWaalsContact C-N 3.33Å; E693-L695 PolarHBondContact O-N 3.31Å; L695-R699 PolarHBondContact O-N 3.29Å; L695-R699 VanDerWaalsContact O-N 3.16Å
696	T	86	Confident	79.1	Confident	86 Å²	86	112.2 Å²	112.2	53%	0.528	57%	0.569	S	S	.	*	H	α-helix	trans	-72.2	-43.9	176.6	-54	0	0	0	0	110.8	L692 E693 L694 R699 R700	L692-T696 PolarHBondContact O-N 3.25Å; L692-T696 PolarHBondContact O-OG1 2.92Å; E693-T696 WeakPolarHBondContact O-CA 3.32Å; E693-T696 WeakPolarHBondContact O-CB 3.34Å; E693-T696 PolarHBondContact O-N 3.37Å; L694-T696 VanDerWaalsContact C-N 3.31Å; T696-R699 PolarHBondContact O-N 3.37Å; T696-R700 PolarHBondContact O-N 3.15Å
697	D	85.7	Confident	80.9	Confident	91 Å²	91	112.2 Å²	112.2	49%	0.487	56%	0.56	S	S	.	*	H	α-helix	trans	-66.7	-39.6	174.9	-82.1	-23.3	0	0	0	112.7	E693 R699 R700 L701	E693-D697 PolarHBondContact O-N 3.42Å; D697-R699 VanDerWaalsContact C-N 3.31Å; D697-R699 PolarHBondContact O-N 3.37Å; D697-R700 PolarHBondContact O-N 2.74Å; D697-L701 VanDerWaalsContact O-CB 3.32Å; D697-L701 WeakPolarHBondContact O-CB 3.41Å; D697-L701 PolarHBondContact O-N 3.38Å
698	L	86.3	Confident	82.5	Confident	107 Å²	107	111.3 Å²	111.3	56%	0.56	56%	0.56	S	S	*	*	H	α-helix	trans	-58.7	-42.7	173.4	-84.5	167.3	0	0	0	111.9	L694 L701 Q702	L694-L698 VanDerWaalsContact O-CB 3.32Å; L694-L698 WeakPolarHBondContact O-CB 3.48Å; L694-L698 VanDerWaalsContact O-CG 3.31Å; L694-L698 WeakPolarHBondContact O-CG 3.42Å; L694-L698 PolarHBondContact O-N 2.9Å; L698-L701 PolarHBondContact O-N 2.7Å; L698-Q702 PolarHBondContact O-N 3.48Å
699	R	88.6	Confident	84	Confident	176 Å²	176	111.8 Å²	111.8	66%	0.664	56%	0.56	S	S	*	*	H	α-helix	trans	-64	-48	175.7	-175.4	175.7	-179.6	169.4	1.6	111.3	L695 T696 D697 L701 Q702 D703	L695-R699 PolarHBondContact O-N 3.29Å; L695-R699 VanDerWaalsContact O-N 3.16Å; T696-R699 PolarHBondContact O-N 3.37Å; D697-R699 VanDerWaalsContact C-N 3.31Å; D697-R699 PolarHBondContact O-N 3.37Å; R699-L701 VanDerWaalsContact C-N 3.26Å; R699-L701 PolarHBondContact O-N 3.03Å; R699-Q702 WeakPolarHBondContact O-CA 3.4Å; R699-Q702 WeakPolarHBondContact O-CB 3.22Å; R699-Q702 PolarHBondContact O-N 3.01Å; R699-D703 VanDerWaalsContact O-CG 3.31Å; R699-D703 PolarHBondContact O-N 2.97Å
700	R	88.7	Confident	85.4	Confident	168 Å²	168	111.8 Å²	111.8	63%	0.634	55%	0.554	S	S	*	*	H	α-helix	trans	-59.3	-37.2	177.1	-170.3	179.8	-173	177.3	4	112.5	T696 D697 D703 L704	T696-R700 PolarHBondContact O-N 3.15Å; D697-R700 PolarHBondContact O-N 2.74Å; R700-D703 PolarHBondContact O-N 3.41Å; R700-L704 HydrophobicContact CG-CD1 4.49Å; R700-L704 WeakPolarHBondContact O-CB 3.5Å; R700-L704 VanDerWaalsContact O-CG 3.31Å; R700-L704 WeakPolarHBondContact O-CG 3.28Å; R700-L704 PolarHBondContact O-N 3.39Å
701	L	87.1	Confident	86.2	Confident	103 Å²	103	112 Å²	112	54%	0.539	55%	0.552	S	S	.	*	H	α-helix	trans	-70.4	-34.9	175.8	-169	147.9	0	0	0	111.7	D697 L698 R699 L705	D697-L701 VanDerWaalsContact O-CB 3.32Å; D697-L701 WeakPolarHBondContact O-CB 3.41Å; D697-L701 PolarHBondContact O-N 3.38Å; L698-L701 PolarHBondContact O-N 2.7Å; R699-L701 VanDerWaalsContact C-N 3.26Å; R699-L701 PolarHBondContact O-N 3.03Å; L701-L705 HydrophobicContact CD2-CD1 3.74Å; L701-L705 HydrophobicContact CD2-CG 4.29Å; L701-L705 VanDerWaalsContact O-CG 3.31Å; L701-L705 WeakPolarHBondContact O-CG 3.34Å; L701-L705 PolarHBondContact O-N 3.23Å
702	Q	88.9	Confident	87.1	Confident	131 Å²	131	115.4 Å²	115.4	61%	0.612	56%	0.557	S	S	*	*	H	α-helix	trans	-66	-42.8	171.6	-175.8	174.8	-2.9	0	0	112.2	L698 R699 L705 Q706	L698-Q702 PolarHBondContact O-N 3.48Å; R699-Q702 WeakPolarHBondContact O-CA 3.4Å; R699-Q702 WeakPolarHBondContact O-CB 3.22Å; R699-Q702 PolarHBondContact O-N 3.01Å; Q702-L705 PolarHBondContact O-N 3.19Å; Q702-Q706 PolarHBondContact O-N 3.13Å
703	D	91.6	Very high	87.8	Confident	87 Å²	87	114.1 Å²	114.1	47%	0.465	55%	0.551	S	S	.	*	H	α-helix	trans	-60.9	-46.1	175.9	-62.6	-36.6	0	0	0	110.7	R699 R700 L705 Q706 E707	R699-D703 VanDerWaalsContact O-CG 3.31Å; R699-D703 PolarHBondContact O-N 2.97Å; R700-D703 PolarHBondContact O-N 3.41Å; D703-L705 VanDerWaalsContact C-N 3.35Å; D703-L705 PolarHBondContact O-N 2.82Å; D703-Q706 WeakPolarHBondContact O-CB 3.27Å; D703-Q706 PolarHBondContact O-N 3.12Å; D703-Q706 VanDerWaalsContact O-N 3.14Å; D703-E707 PolarHBondContact O-N 2.92Å
704	L	89.8	Confident	88.7	Confident	90 Å²	90	111.7 Å²	111.7	47%	0.471	54%	0.539	S	S	.	.	H	α-helix	trans	-62.4	-35.2	174.8	-74.2	168.1	0	0	0	113.3	R700 E707 M708	R700-L704 HydrophobicContact CG-CD1 4.49Å; R700-L704 WeakPolarHBondContact O-CB 3.5Å; R700-L704 VanDerWaalsContact O-CG 3.31Å; R700-L704 WeakPolarHBondContact O-CG 3.28Å; R700-L704 PolarHBondContact O-N 3.39Å; L704-E707 PolarHBondContact O-N 3.3Å; L704-M708 WeakPolarHBondContact O-CB 3.47Å; L704-M708 VanDerWaalsContact O-CG 3.3Å; L704-M708 WeakPolarHBondContact O-CG 3.39Å; L704-M708 PolarHBondContact O-N 3.44Å
705	L	89.8	Confident	89.2	Confident	114 Å²	114	113.7 Å²	113.7	60%	0.597	54%	0.544	S	S	*	.	H	α-helix	trans	-67.7	-36.1	173.8	-77.6	171.7	0	0	0	112	L701 Q702 D703 S709	L701-L705 HydrophobicContact CD2-CD1 3.74Å; L701-L705 HydrophobicContact CD2-CG 4.29Å; L701-L705 VanDerWaalsContact O-CG 3.31Å; L701-L705 WeakPolarHBondContact O-CG 3.34Å; L701-L705 PolarHBondContact O-N 3.23Å; Q702-L705 PolarHBondContact O-N 3.19Å; D703-L705 VanDerWaalsContact C-N 3.35Å; D703-L705 PolarHBondContact O-N 2.82Å; L705-S709 WeakPolarHBondContact O-CB 3.41Å; L705-S709 PolarHBondContact O-N 3.29Å; L705-S709 VanDerWaalsContact O-N 3.08Å
706	Q	91	Very high	89.5	Confident	141 Å²	141	113.1 Å²	113.1	66%	0.659	54%	0.541	S	S	*	.	H	α-helix	trans	-69	-41.6	174.8	-177.3	169.2	-34.3	0	0	111.5	Q702 D703 S709 K710	Q702-Q706 PolarHBondContact O-N 3.13Å; D703-Q706 WeakPolarHBondContact O-CB 3.27Å; D703-Q706 PolarHBondContact O-N 3.12Å; D703-Q706 VanDerWaalsContact O-N 3.14Å; Q706-S709 WeakPolarHBondContact O-CB 3.4Å; Q706-S709 PolarHBondContact O-N 2.86Å; Q706-K710 PolarHBondContact O-N 3.33Å
707	E	91.7	Very high	89.7	Confident	106 Å²	106	112.5 Å²	112.5	50%	0.495	54%	0.535	S	S	.	.	H	α-helix	trans	-63.1	-46.1	174.2	-175.4	172.2	-146.3	0	0	112.1	D703 L704 S709 K710 L711	D703-E707 PolarHBondContact O-N 2.92Å; L704-E707 PolarHBondContact O-N 3.3Å; E707-S709 PolarHBondContact O-N 3.14Å; E707-K710 WeakPolarHBondContact O-CB 3.34Å; E707-K710 PolarHBondContact O-N 3.5Å; E707-K710 VanDerWaalsContact O-N 3.08Å; E707-L711 HydrophobicContact CG-CD1 4.06Å; E707-L711 HydrophobicContact CG-CG 4.47Å; E707-L711 WeakPolarHBondContact O-CG 3.34Å; E707-L711 PolarHBondContact O-N 3.01Å
708	M	88.9	Confident	90	Very high	130 Å²	130	113 Å²	113	64%	0.64	54%	0.536	S	S	*	.	H	α-helix	trans	-59	-31.5	173	-79.3	-71.6	-71.3	0	0	112.9	L704 R712	L704-M708 WeakPolarHBondContact O-CB 3.47Å; L704-M708 VanDerWaalsContact O-CG 3.3Å; L704-M708 WeakPolarHBondContact O-CG 3.39Å; L704-M708 PolarHBondContact O-N 3.44Å; M708-R712 WeakPolarHBondContact O-CB 3.45Å; M708-R712 PolarHBondContact O-N 3.48Å; M708-R712 VanDerWaalsContact O-N 3.12Å
709	S	89.6	Confident	90.2	Very high	65 Å²	65	112.5 Å²	112.5	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-71.7	-42.3	173.4	-165.9	0	0	0	0	112.2	L705 Q706 E707 R712 N713	L705-S709 WeakPolarHBondContact O-CB 3.41Å; L705-S709 PolarHBondContact O-N 3.29Å; L705-S709 VanDerWaalsContact O-N 3.08Å; Q706-S709 WeakPolarHBondContact O-CB 3.4Å; Q706-S709 PolarHBondContact O-N 2.86Å; E707-S709 PolarHBondContact O-N 3.14Å; S709-R712 PolarHBondContact O-N 2.96Å; S709-N713 PolarHBondContact O-N 3.07Å; S709-N713 VanDerWaalsContact O-N 3.15Å; S709-N713 PolarHBondContact O-ND2 3.47Å
710	K	93	Very high	90.3	Very high	121 Å²	121	111.8 Å²	111.8	53%	0.526	53%	0.531	S	S	.	.	H	α-helix	trans	-59.1	-54.9	173.9	176.9	178.8	176.2	-67.5	0	111.3	Q706 E707 R712 N713 E714	Q706-K710 PolarHBondContact O-N 3.33Å; E707-K710 WeakPolarHBondContact O-CB 3.34Å; E707-K710 PolarHBondContact O-N 3.5Å; E707-K710 VanDerWaalsContact O-N 3.08Å; K710-R712 PolarHBondContact O-N 3.31Å; K710-N713 PolarHBondContact O-N 3.29Å; K710-E714 WeakPolarHBondContact CE-OE1 3.37Å; K710-E714 WeakPolarHBondContact CG-OE1 3.48Å; K710-E714 IonicContact NZ-OE1 3.34Å; K710-E714 PolarHBondContact NZ-OE1 2.97Å; K710-E714 IonicContact NZ-OE2 3.61Å; K710-E714 PolarHBondContact NZ-OE2 3.39Å; K710-E714 PolarHBondContact O-N 3.09Å
711	L	89.5	Confident	90.3	Very high	89 Å²	89	109.3 Å²	109.3	47%	0.466	53%	0.527	S	S	.	.	H	α-helix	trans	-58.6	-34.8	178	-68.4	169.5	0	0	0	112.5	E707 K715	E707-L711 HydrophobicContact CG-CD1 4.06Å; E707-L711 HydrophobicContact CG-CG 4.47Å; E707-L711 WeakPolarHBondContact O-CG 3.34Å; E707-L711 PolarHBondContact O-N 3.01Å; L711-K715 VanDerWaalsContact O-CB 3.27Å; L711-K715 WeakPolarHBondContact O-CB 3.46Å; L711-K715 PolarHBondContact O-N 3.44Å
712	R	90.3	Very high	90.4	Very high	181 Å²	181	108.3 Å²	108.3	68%	0.683	52%	0.522	S	S	*	.	H	α-helix	trans	-67	-35.2	175.6	-178.1	174.7	-177.2	159.7	1.3	112.8	M708 S709 K710 L716	M708-R712 WeakPolarHBondContact O-CB 3.45Å; M708-R712 PolarHBondContact O-N 3.48Å; M708-R712 VanDerWaalsContact O-N 3.12Å; S709-R712 PolarHBondContact O-N 2.96Å; K710-R712 PolarHBondContact O-N 3.31Å; R712-L716 WeakPolarHBondContact O-CG 3.35Å; R712-L716 PolarHBondContact O-N 2.84Å
713	N	91.3	Very high	90.6	Very high	86 Å²	86	107.1 Å²	107.1	46%	0.46	52%	0.524	S	S	.	.	H	α-helix	trans	-74.5	-45.5	175.6	-66.6	-33	0	0	0	111.1	S709 K710 K715 L716 D717	S709-N713 PolarHBondContact O-N 3.07Å; S709-N713 VanDerWaalsContact O-N 3.15Å; S709-N713 PolarHBondContact O-ND2 3.47Å; K710-N713 PolarHBondContact O-N 3.29Å; N713-K715 VanDerWaalsContact C-N 3.29Å; N713-K715 PolarHBondContact O-N 2.88Å; N713-L716 WeakPolarHBondContact O-CA 3.48Å; N713-L716 WeakPolarHBondContact O-CB 3.33Å; N713-L716 PolarHBondContact O-N 3.03Å; N713-D717 PolarHBondContact O-N 3.15Å
714	E	92.1	Very high	90.5	Very high	78 Å²	78	106.8 Å²	106.8	36%	0.364	53%	0.525	S	S	.	.	H	α-helix	trans	-56.7	-42.8	175.5	-71.2	164.6	171.4	0	0	111.4	K710 L716 D717 L718	K710-E714 WeakPolarHBondContact CE-OE1 3.37Å; K710-E714 WeakPolarHBondContact CG-OE1 3.48Å; K710-E714 IonicContact NZ-OE1 3.34Å; K710-E714 PolarHBondContact NZ-OE1 2.97Å; K710-E714 IonicContact NZ-OE2 3.61Å; K710-E714 PolarHBondContact NZ-OE2 3.39Å; K710-E714 PolarHBondContact O-N 3.09Å; E714-L716 VanDerWaalsContact C-N 3.32Å; E714-L716 PolarHBondContact O-N 2.86Å; E714-D717 PolarHBondContact O-N 3.01Å; E714-L718 WeakPolarHBondContact O-CB 3.5Å; E714-L718 WeakPolarHBondContact O-CG 3.37Å; E714-L718 PolarHBondContact O-N 3.36Å
715	K	90.9	Very high	90.5	Very high	142 Å²	142	105.9 Å²	105.9	62%	0.617	53%	0.525	S	S	*	.	H	α-helix	trans	-59.6	-36.9	171.8	-179.4	172.2	-179.1	170.9	0	113.6	L711 N713 L719	L711-K715 VanDerWaalsContact O-CB 3.27Å; L711-K715 WeakPolarHBondContact O-CB 3.46Å; L711-K715 PolarHBondContact O-N 3.44Å; N713-K715 VanDerWaalsContact C-N 3.29Å; N713-K715 PolarHBondContact O-N 2.88Å; K715-L719 HydrophobicContact CG-CD1 4.32Å; K715-L719 WeakPolarHBondContact O-CB 3.46Å; K715-L719 WeakPolarHBondContact O-CD1 3.33Å; K715-L719 VanDerWaalsContact O-CG 3.23Å; K715-L719 WeakPolarHBondContact O-CG 3.41Å; K715-L719 PolarHBondContact O-N 3.25Å; K715-L719 VanDerWaalsContact O-N 3.09Å
716	L	89	Confident	90.5	Very high	84 Å²	84	107.4 Å²	107.4	44%	0.44	53%	0.527	S	S	.	.	H	α-helix	trans	-70.9	-35.5	177.2	-75.4	167.2	0	0	0	111.9	R712 N713 E714 L719 R720	R712-L716 WeakPolarHBondContact O-CG 3.35Å; R712-L716 PolarHBondContact O-N 2.84Å; N713-L716 WeakPolarHBondContact O-CA 3.48Å; N713-L716 WeakPolarHBondContact O-CB 3.33Å; N713-L716 PolarHBondContact O-N 3.03Å; E714-L716 VanDerWaalsContact C-N 3.32Å; E714-L716 PolarHBondContact O-N 2.86Å; L716-L719 PolarHBondContact O-N 3.12Å; L716-R720 WeakPolarHBondContact O-CG 3.23Å; L716-R720 PolarHBondContact O-N 3.14Å
717	D	90.3	Very high	90.5	Very high	73 Å²	73	103.5 Å²	103.5	39%	0.39	52%	0.516	S	S	.	.	H	α-helix	trans	-75.9	-37.2	176.5	-74	-44.6	0	0	0	112.8	N713 E714 L719 R720 Q721	N713-D717 PolarHBondContact O-N 3.15Å; E714-D717 PolarHBondContact O-N 3.01Å; D717-L719 VanDerWaalsContact C-N 3.28Å; D717-L719 PolarHBondContact O-N 3.23Å; D717-R720 WeakPolarHBondContact O-CB 3.41Å; D717-R720 PolarHBondContact O-N 3.01Å; D717-R720 VanDerWaalsContact O-N 3.14Å; D717-R720 WeakPolarHBondContact OD1-CD 3.36Å; D717-R720 IonicContact OD1-CZ 2.65Å; D717-R720 IonicContact OD1-NE 2.78Å; D717-R720 IonicContact OD1-NH1 2.67Å; D717-R720 PolarHBondContact OD1-NH1 3.31Å; D717-R720 IonicContact OD2-NH1 3.81Å; D717-Q721 WeakPolarHBondContact O-CG 3.49Å; D717-Q721 PolarHBondContact O-N 2.92Å
718	L	91.7	Very high	90.5	Very high	100 Å²	100	101.4 Å²	101.4	52%	0.524	51%	0.508	S	S	.	.	H	α-helix	trans	-60.9	-36	168.5	-72.5	169.9	0	0	0	112.3	E714 N722	E714-L718 WeakPolarHBondContact O-CB 3.5Å; E714-L718 WeakPolarHBondContact O-CG 3.37Å; E714-L718 PolarHBondContact O-N 3.36Å; L718-N722 WeakPolarHBondContact O-CB 3.27Å; L718-N722 PolarHBondContact O-N 2.67Å; L718-N722 PolarHBondContact O-ND2 3Å
719	L	90.3	Very high	90.7	Very high	97 Å²	97	99.7 Å²	99.7	51%	0.508	50%	0.5	S	S	.	.	H	α-helix	trans	-68.1	-38.3	172.8	-77.2	168.5	0	0	0	112.4	K715 L716 D717 N722 V723	K715-L719 HydrophobicContact CG-CD1 4.32Å; K715-L719 WeakPolarHBondContact O-CB 3.46Å; K715-L719 WeakPolarHBondContact O-CD1 3.33Å; K715-L719 VanDerWaalsContact O-CG 3.23Å; K715-L719 WeakPolarHBondContact O-CG 3.41Å; K715-L719 PolarHBondContact O-N 3.25Å; K715-L719 VanDerWaalsContact O-N 3.09Å; L716-L719 PolarHBondContact O-N 3.12Å; D717-L719 VanDerWaalsContact C-N 3.28Å; D717-L719 PolarHBondContact O-N 3.23Å; L719-N722 PolarHBondContact O-N 3.21Å; L719-V723 WeakPolarHBondContact O-CG2 3.23Å; L719-V723 PolarHBondContact O-N 3.32Å
720	R	90.4	Very high	90.9	Very high	161 Å²	161	104 Å²	104	61%	0.608	51%	0.511	S	S	*	.	H	α-helix	trans	-63.9	-47.6	173.3	-73.4	159.1	170.1	170.5	-0.7	111.3	L716 D717 N722 V723 T724	L716-R720 WeakPolarHBondContact O-CG 3.23Å; L716-R720 PolarHBondContact O-N 3.14Å; D717-R720 WeakPolarHBondContact O-CB 3.41Å; D717-R720 PolarHBondContact O-N 3.01Å; D717-R720 VanDerWaalsContact O-N 3.14Å; D717-R720 WeakPolarHBondContact OD1-CD 3.36Å; D717-R720 IonicContact OD1-CZ 2.65Å; D717-R720 IonicContact OD1-NE 2.78Å; D717-R720 IonicContact OD1-NH1 2.67Å; D717-R720 PolarHBondContact OD1-NH1 3.31Å; D717-R720 IonicContact OD2-NH1 3.81Å; R720-N722 VanDerWaalsContact C-N 3.33Å; R720-N722 PolarHBondContact O-N 3.02Å; R720-V723 PolarHBondContact O-N 3.05Å; R720-V723 VanDerWaalsContact O-N 3.16Å; R720-T724 PolarHBondContact O-N 2.96Å; R720-T724 VanDerWaalsContact O-N 3.09Å; R720-T724 PolarHBondContact O-OG1 3.37Å
721	Q	90.1	Very high	90.9	Very high	116 Å²	116	104 Å²	104	54%	0.542	51%	0.51	S	S	.	.	H	α-helix	trans	-57.6	-45.5	175.4	-71.1	175	4.1	0	0	111.2	D717 V723 T724 C725	D717-Q721 WeakPolarHBondContact O-CG 3.49Å; D717-Q721 PolarHBondContact O-N 2.92Å; Q721-V723 VanDerWaalsContact C-N 3.3Å; Q721-V723 PolarHBondContact O-N 3.32Å; Q721-T724 WeakPolarHBondContact O-CA 3.49Å; Q721-T724 WeakPolarHBondContact O-CB 3.34Å; Q721-T724 PolarHBondContact O-N 2.97Å; Q721-C725 PolarHBondContact O-N 3.1Å; Q721-C725 PolarHBondContact O-SG 2.86Å
722	N	89.1	Confident	91	Very high	82 Å²	82	105.2 Å²	105.2	44%	0.439	52%	0.517	S	S	.	.	H	α-helix	trans	-56.2	-39.4	175.2	-99.1	-92	0	0	0	113.6	L718 L719 R720 K726	L718-N722 WeakPolarHBondContact O-CB 3.27Å; L718-N722 PolarHBondContact O-N 2.67Å; L718-N722 PolarHBondContact O-ND2 3Å; L719-N722 PolarHBondContact O-N 3.21Å; R720-N722 VanDerWaalsContact C-N 3.33Å; R720-N722 PolarHBondContact O-N 3.02Å; N722-K726 WeakPolarHBondContact O-CB 3.47Å; N722-K726 VanDerWaalsContact O-CG 3.31Å; N722-K726 WeakPolarHBondContact O-CG 3.43Å; N722-K726 PolarHBondContact O-N 3.15Å
723	V	91.6	Very high	91.1	Very high	107 Å²	107	102.9 Å²	102.9	65%	0.648	51%	0.512	S	S	*	.	H	α-helix	trans	-67.8	-40.5	175.7	171.7	0	0	0	0	111.2	L719 R720 Q721 K726 S727	L719-V723 WeakPolarHBondContact O-CG2 3.23Å; L719-V723 PolarHBondContact O-N 3.32Å; R720-V723 PolarHBondContact O-N 3.05Å; R720-V723 VanDerWaalsContact O-N 3.16Å; Q721-V723 VanDerWaalsContact C-N 3.3Å; Q721-V723 PolarHBondContact O-N 3.32Å; V723-K726 PolarHBondContact O-N 3.06Å; V723-S727 PolarHBondContact O-N 3.02Å
724	T	90.4	Very high	91.2	Very high	80 Å²	80	105.1 Å²	105.1	49%	0.491	52%	0.519	S	S	.	.	H	α-helix	trans	-61.7	-52.6	173.9	-56.9	0	0	0	0	111.2	R720 Q721 K726 S727 D728	R720-T724 PolarHBondContact O-N 2.96Å; R720-T724 VanDerWaalsContact O-N 3.09Å; R720-T724 PolarHBondContact O-OG1 3.37Å; Q721-T724 WeakPolarHBondContact O-CA 3.49Å; Q721-T724 WeakPolarHBondContact O-CB 3.34Å; Q721-T724 PolarHBondContact O-N 2.97Å; T724-K726 VanDerWaalsContact C-N 3.32Å; T724-K726 PolarHBondContact O-N 3.07Å; T724-S727 WeakPolarHBondContact O-CA 3.37Å; T724-S727 WeakPolarHBondContact O-CB 3.44Å; T724-S727 PolarHBondContact O-N 3.33Å; T724-D728 WeakPolarHBondContact CG2-OD2 3.21Å; T724-D728 PolarHBondContact O-N 2.65Å
725	C	89	Confident	91.3	Very high	71 Å²	71	109.3 Å²	109.3	48%	0.48	53%	0.532	S	S	.	.	H	α-helix	trans	-57.9	-40.9	178.3	-63.2	0	0	0	0	112.3	Q721 S727 D728 I729	Q721-C725 PolarHBondContact O-N 3.1Å; Q721-C725 PolarHBondContact O-SG 2.86Å; C725-S727 VanDerWaalsContact C-N 3.32Å; C725-S727 PolarHBondContact O-N 2.85Å; C725-D728 PolarHBondContact O-N 3.35Å; C725-I729 WeakPolarHBondContact O-CB 3.44Å; C725-I729 WeakPolarHBondContact O-CD1 3.17Å; C725-I729 VanDerWaalsContact O-CG1 3.23Å; C725-I729 WeakPolarHBondContact O-CG1 3.39Å; C725-I729 PolarHBondContact O-N 3.47Å
726	K	89.5	Confident	91.4	Very high	145 Å²	145	107.9 Å²	107.9	63%	0.63	53%	0.528	S	S	*	.	H	α-helix	trans	-64.8	-33.7	174.1	-75.3	177.8	-179	-177	0	112.9	N722 V723 T724 K730	N722-K726 WeakPolarHBondContact O-CB 3.47Å; N722-K726 VanDerWaalsContact O-CG 3.31Å; N722-K726 WeakPolarHBondContact O-CG 3.43Å; N722-K726 PolarHBondContact O-N 3.15Å; V723-K726 PolarHBondContact O-N 3.06Å; T724-K726 VanDerWaalsContact C-N 3.32Å; T724-K726 PolarHBondContact O-N 3.07Å; K726-K730 PolarHBondContact O-N 3.01Å
727	S	91.1	Very high	91.6	Very high	60 Å²	60	108.3 Å²	108.3	42%	0.42	53%	0.534	S	S	.	.	H	α-helix	trans	-66.6	-44.6	172.7	-166.2	0	0	0	0	111.5	V723 T724 C725 K730 K731	V723-S727 PolarHBondContact O-N 3.02Å; T724-S727 WeakPolarHBondContact O-CA 3.37Å; T724-S727 WeakPolarHBondContact O-CB 3.44Å; T724-S727 PolarHBondContact O-N 3.33Å; C725-S727 VanDerWaalsContact C-N 3.32Å; C725-S727 PolarHBondContact O-N 2.85Å; S727-K730 WeakPolarHBondContact O-CB 3.44Å; S727-K730 PolarHBondContact O-N 2.92Å; S727-K731 WeakPolarHBondContact O-CG 3.35Å; S727-K731 PolarHBondContact O-N 2.78Å
728	D	91.8	Very high	91.7	Very high	62 Å²	62	110.1 Å²	110.1	33%	0.332	54%	0.54	S	S	.	.	H	α-helix	trans	-72.9	-38	-178.4	-66.6	-40.1	0	0	0	112.8	T724 C725 K730 K731 L732	T724-D728 WeakPolarHBondContact CG2-OD2 3.21Å; T724-D728 PolarHBondContact O-N 2.65Å; C725-D728 PolarHBondContact O-N 3.35Å; D728-K730 PolarHBondContact O-N 3.1Å; D728-K731 WeakPolarHBondContact O-CB 3.39Å; D728-K731 PolarHBondContact O-N 2.67Å; D728-K731 VanDerWaalsContact O-N 3.14Å; D728-K731 WeakPolarHBondContact OD1-CD 3.46Å; D728-K731 WeakPolarHBondContact OD1-CE 3.49Å; D728-K731 IonicContact OD1-NZ 3.37Å; D728-K731 PolarHBondContact OD1-NZ 2.77Å; D728-L732 WeakPolarHBondContact O-CG 3.49Å; D728-L732 PolarHBondContact O-N 3.22Å
729	I	93.3	Very high	91.8	Very high	94 Å²	94	110.2 Å²	110.2	48%	0.482	54%	0.539	S	S	.	.	H	α-helix	trans	-56.7	-40	168.3	-70.3	164.2	0	0	0	110.7	C725 L732 K733	C725-I729 WeakPolarHBondContact O-CB 3.44Å; C725-I729 WeakPolarHBondContact O-CD1 3.17Å; C725-I729 VanDerWaalsContact O-CG1 3.23Å; C725-I729 WeakPolarHBondContact O-CG1 3.39Å; C725-I729 PolarHBondContact O-N 3.47Å; I729-L732 PolarHBondContact O-N 2.76Å; I729-K733 WeakPolarHBondContact O-CG 3.47Å; I729-K733 PolarHBondContact O-N 3.08Å
730	K	93.6	Very high	91.9	Very high	156 Å²	156	108.8 Å²	108.8	68%	0.678	54%	0.537	S	S	*	.	H	α-helix	trans	-65.9	-40.7	176.4	-170.2	-179	176.9	-178.2	0	112.2	K726 S727 D728 Q734	K726-K730 PolarHBondContact O-N 3.01Å; S727-K730 WeakPolarHBondContact O-CB 3.44Å; S727-K730 PolarHBondContact O-N 2.92Å; D728-K730 PolarHBondContact O-N 3.1Å; K730-Q734 PolarHBondContact O-N 3.48Å
731	K	94.2	Very high	92	Very high	119 Å²	119	103.7 Å²	103.7	52%	0.517	53%	0.53	S	S	.	.	H	α-helix	trans	-63.9	-42.7	174.4	-63.9	169	-161.6	165.3	0	111.6	S727 D728 Q734 R735	S727-K731 WeakPolarHBondContact O-CG 3.35Å; S727-K731 PolarHBondContact O-N 2.78Å; D728-K731 WeakPolarHBondContact O-CB 3.39Å; D728-K731 PolarHBondContact O-N 2.67Å; D728-K731 VanDerWaalsContact O-N 3.14Å; D728-K731 WeakPolarHBondContact OD1-CD 3.46Å; D728-K731 WeakPolarHBondContact OD1-CE 3.49Å; D728-K731 IonicContact OD1-NZ 3.37Å; D728-K731 PolarHBondContact OD1-NZ 2.77Å; K731-Q734 PolarHBondContact O-N 3.15Å; K731-R735 PolarHBondContact O-N 3.31Å
732	L	91.8	Very high	92.2	Very high	116 Å²	116	103.3 Å²	103.3	61%	0.607	53%	0.528	S	S	*	.	H	α-helix	trans	-62.8	-47.3	178.3	-72.3	170.7	0	0	0	111.1	D728 I729 Q734 R735 E736	D728-L732 WeakPolarHBondContact O-CG 3.49Å; D728-L732 PolarHBondContact O-N 3.22Å; I729-L732 PolarHBondContact O-N 2.76Å; L732-Q734 VanDerWaalsContact C-N 3.32Å; L732-Q734 PolarHBondContact O-N 3.46Å; L732-R735 PolarHBondContact O-N 2.93Å; L732-R735 VanDerWaalsContact O-N 3.12Å; L732-E736 WeakPolarHBondContact O-CB 3.39Å; L732-E736 PolarHBondContact O-N 3.09Å
733	K	92.6	Very high	92.4	Very high	131 Å²	131	104.5 Å²	104.5	57%	0.57	53%	0.534	S	S	*	.	H	α-helix	trans	-61.2	-36.8	174.3	-72.7	-167.3	172.8	-162.5	0	113.4	I729 E736 T737	I729-K733 WeakPolarHBondContact O-CG 3.47Å; I729-K733 PolarHBondContact O-N 3.08Å; K733-E736 WeakPolarHBondContact O-CB 3.43Å; K733-E736 PolarHBondContact O-N 3.46Å; K733-T737 WeakPolarHBondContact O-CG2 3.26Å; K733-T737 PolarHBondContact O-N 2.97Å; K733-T737 PolarHBondContact O-OG1 2.96Å
734	Q	92.9	Very high	92.6	Very high	133 Å²	133	105.8 Å²	105.8	62%	0.621	53%	0.532	S	S	*	.	H	α-helix	trans	-64.5	-42.1	173.8	-174.2	175.4	-6.5	0	0	111.6	K730 K731 L732 T737 Q738	K730-Q734 PolarHBondContact O-N 3.48Å; K731-Q734 PolarHBondContact O-N 3.15Å; L732-Q734 VanDerWaalsContact C-N 3.32Å; L732-Q734 PolarHBondContact O-N 3.46Å; Q734-T737 PolarHBondContact O-N 3.46Å; Q734-T737 PolarHBondContact O-OG1 3.48Å; Q734-Q738 PolarHBondContact O-N 3.42Å
735	R	93.8	Very high	92.7	Very high	167 Å²	167	104.9 Å²	104.9	63%	0.63	53%	0.533	S	S	*	.	H	α-helix	trans	-68.6	-37.6	177.2	-169.2	174.5	-173.1	159.5	4	112.6	K731 L732 Q738 M739	K731-R735 PolarHBondContact O-N 3.31Å; L732-R735 PolarHBondContact O-N 2.93Å; L732-R735 VanDerWaalsContact O-N 3.12Å; R735-Q738 PolarHBondContact O-N 3.33Å; R735-M739 HydrophobicContact CG-SD 4.44Å; R735-M739 WeakPolarHBondContact O-CG 3.37Å; R735-M739 PolarHBondContact O-N 3.35Å
736	E	92.5	Very high	92.9	Very high	112 Å²	112	103.8 Å²	103.8	52%	0.523	53%	0.529	S	S	.	.	H	α-helix	trans	-55.6	-54.7	170.1	178.3	-178.6	-154.8	0	0	110.3	L732 K733 Q738 M739 S740	L732-E736 WeakPolarHBondContact O-CB 3.39Å; L732-E736 PolarHBondContact O-N 3.09Å; K733-E736 WeakPolarHBondContact O-CB 3.43Å; K733-E736 PolarHBondContact O-N 3.46Å; E736-Q738 VanDerWaalsContact C-N 3.27Å; E736-Q738 PolarHBondContact O-N 2.91Å; E736-M739 PolarHBondContact O-N 2.96Å; E736-M739 VanDerWaalsContact O-N 3.15Å; E736-S740 PolarHBondContact O-N 2.9Å; E736-S740 PolarHBondContact O-OG 3.37Å; E736-S740 VanDerWaalsContact O-OG 3.12Å
737	T	93.7	Very high	93.1	Very high	93 Å²	93	103.5 Å²	103.5	57%	0.571	53%	0.525	S	S	*	.	H	α-helix	trans	-61.2	-32.2	177.9	53.3	0	0	0	0	113.9	K733 Q734 A741	K733-T737 WeakPolarHBondContact O-CG2 3.26Å; K733-T737 PolarHBondContact O-N 2.97Å; K733-T737 PolarHBondContact O-OG1 2.96Å; Q734-T737 PolarHBondContact O-N 3.46Å; Q734-T737 PolarHBondContact O-OG1 3.48Å; T737-A741 PolarHBondContact O-N 2.89Å
738	Q	93.1	Very high	93.2	Very high	110 Å²	110	105.7 Å²	105.7	51%	0.514	53%	0.532	S	S	.	.	H	α-helix	trans	-68.1	-49.1	173.9	179.2	179.3	-15.2	0	0	111.2	Q734 R735 E736 S740 A741 E742	Q734-Q738 PolarHBondContact O-N 3.42Å; R735-Q738 PolarHBondContact O-N 3.33Å; E736-Q738 VanDerWaalsContact C-N 3.27Å; E736-Q738 PolarHBondContact O-N 2.91Å; Q738-S740 VanDerWaalsContact C-N 3.28Å; Q738-S740 PolarHBondContact O-N 2.91Å; Q738-A741 PolarHBondContact O-N 3.49Å; Q738-A741 VanDerWaalsContact O-N 3.15Å; Q738-E742 HydrophobicContact CG-CG 4.49Å; Q738-E742 WeakPolarHBondContact CG-OE1 3.29Å; Q738-E742 PolarHBondContact NE2-OE1 3.32Å; Q738-E742 WeakPolarHBondContact O-CG 3.45Å; Q738-E742 PolarHBondContact O-N 3.21Å
739	M	92.5	Very high	93.2	Very high	102 Å²	102	106.6 Å²	106.6	50%	0.502	53%	0.534	S	S	.	.	H	α-helix	trans	-65.4	-30.9	179.7	-67.3	-174.2	-45.6	0	0	112.2	R735 E736 E742 L743	R735-M739 HydrophobicContact CG-SD 4.44Å; R735-M739 WeakPolarHBondContact O-CG 3.37Å; R735-M739 PolarHBondContact O-N 3.35Å; E736-M739 PolarHBondContact O-N 2.96Å; E736-M739 VanDerWaalsContact O-N 3.15Å; M739-E742 PolarHBondContact O-N 3.01Å; M739-L743 VanDerWaalsContact O-CB 3.28Å; M739-L743 WeakPolarHBondContact O-CB 3.5Å; M739-L743 PolarHBondContact O-N 3.05Å
740	S	92.7	Very high	93.2	Very high	68 Å²	68	105.8 Å²	105.8	48%	0.476	53%	0.53	S	S	.	.	H	α-helix	trans	-61.5	-44.9	171	-59.4	0	0	0	0	112.3	E736 Q738 L743 E744	E736-S740 PolarHBondContact O-N 2.9Å; E736-S740 PolarHBondContact O-OG 3.37Å; E736-S740 VanDerWaalsContact O-OG 3.12Å; Q738-S740 VanDerWaalsContact C-N 3.28Å; Q738-S740 PolarHBondContact O-N 2.91Å; S740-L743 WeakPolarHBondContact O-CB 3.33Å; S740-L743 PolarHBondContact O-N 2.76Å; S740-E744 WeakPolarHBondContact O-CB 3.46Å; S740-E744 PolarHBondContact O-N 3.42Å
741	A	93.3	Very high	93	Very high	54 Å²	54	101.5 Å²	101.5	45%	0.446	52%	0.515	S	S	.	.	H	α-helix	trans	-69.4	-36.5	177.7	0	0	0	0	0	112.6	T737 Q738 L743 E744 A745	T737-A741 PolarHBondContact O-N 2.89Å; Q738-A741 PolarHBondContact O-N 3.49Å; Q738-A741 VanDerWaalsContact O-N 3.15Å; A741-L743 VanDerWaalsContact C-N 3.34Å; A741-E744 PolarHBondContact O-N 2.94Å; A741-A745 WeakPolarHBondContact O-CB 3.28Å; A741-A745 PolarHBondContact O-N 3.05Å
742	E	94.2	Very high	92.8	Very high	108 Å²	108	101 Å²	101	51%	0.505	51%	0.513	S	S	.	.	H	α-helix	trans	-65.1	-37.1	173	-71	171.7	-174.3	0	0	111.8	Q738 M739 A746	Q738-E742 HydrophobicContact CG-CG 4.49Å; Q738-E742 WeakPolarHBondContact CG-OE1 3.29Å; Q738-E742 PolarHBondContact NE2-OE1 3.32Å; Q738-E742 WeakPolarHBondContact O-CG 3.45Å; Q738-E742 PolarHBondContact O-N 3.21Å; M739-E742 PolarHBondContact O-N 3.01Å; E742-A746 WeakPolarHBondContact O-CB 3.31Å; E742-A746 PolarHBondContact O-N 3.31Å; E742-A746 VanDerWaalsContact O-N 3.09Å
743	L	93.3	Very high	92.7	Very high	107 Å²	107	99.8 Å²	99.8	56%	0.56	51%	0.506	S	S	*	.	H	α-helix	trans	-67.4	-44.2	174.6	-169.1	80.4	0	0	0	111.9	M739 S740 A741 A746 Y747	M739-L743 VanDerWaalsContact O-CB 3.28Å; M739-L743 WeakPolarHBondContact O-CB 3.5Å; M739-L743 PolarHBondContact O-N 3.05Å; S740-L743 WeakPolarHBondContact O-CB 3.33Å; S740-L743 PolarHBondContact O-N 2.76Å; A741-L743 VanDerWaalsContact C-N 3.34Å; L743-A746 PolarHBondContact O-N 2.79Å; L743-Y747 HydrophobicContact CD1-CE2 4.36Å; L743-Y747 HydrophobicContact CD2-CE2 4.14Å; L743-Y747 HydrophobicContact CG-CD2 4.07Å; L743-Y747 HydrophobicContact CG-CE2 3.94Å; L743-Y747 WeakPolarHBondContact O-CD2 3.41Å; L743-Y747 PolarHBondContact O-N 2.86Å
744	E	94.2	Very high	92.4	Very high	133 Å²	133	100.6 Å²	100.6	62%	0.621	51%	0.506	S	S	*	.	H	α-helix	trans	-61.9	-47.5	177.9	-171.7	167.4	-145	0	0	111.1	S740 A741 A746 Y747 D748	S740-E744 WeakPolarHBondContact O-CB 3.46Å; S740-E744 PolarHBondContact O-N 3.42Å; A741-E744 PolarHBondContact O-N 2.94Å; E744-A746 VanDerWaalsContact C-N 3.29Å; E744-A746 PolarHBondContact O-N 2.75Å; E744-Y747 WeakPolarHBondContact O-CB 3.41Å; E744-Y747 PolarHBondContact O-N 2.97Å; E744-Y747 VanDerWaalsContact O-N 3.12Å; E744-D748 PolarHBondContact O-N 3.04Å
745	A	93.6	Very high	92.1	Very high	61 Å²	61	100.6 Å²	100.6	50%	0.504	51%	0.506	S	S	.	.	H	α-helix	trans	-60.4	-36	174.2	0	0	0	0	0	113.1	A741 E749	A741-A745 WeakPolarHBondContact O-CB 3.28Å; A741-A745 PolarHBondContact O-N 3.05Å; A745-E749 PolarHBondContact O-N 3.05Å; A745-E749 VanDerWaalsContact O-N 3.1Å
746	A	93.2	Very high	91.6	Very high	49 Å²	49	97.5 Å²	97.5	41%	0.405	50%	0.501	S	S	.	.	H	α-helix	trans	-68.5	-38.2	174.4	0	0	0	0	0	112.4	E742 L743 E744 I750	E742-A746 WeakPolarHBondContact O-CB 3.31Å; E742-A746 PolarHBondContact O-N 3.31Å; E742-A746 VanDerWaalsContact O-N 3.09Å; L743-A746 PolarHBondContact O-N 2.79Å; E744-A746 VanDerWaalsContact C-N 3.29Å; E744-A746 PolarHBondContact O-N 2.75Å; A746-I750 WeakPolarHBondContact O-CB 3.45Å; A746-I750 WeakPolarHBondContact O-CD1 3.37Å; A746-I750 WeakPolarHBondContact O-CG1 3.22Å; A746-I750 PolarHBondContact O-N 3.16Å
747	Y	93.1	Very high	90.9	Very high	139 Å²	139	97.7 Å²	97.7	55%	0.545	51%	0.505	S	S	.	.	H	α-helix	trans	-63.5	-41.8	173.7	-91.4	-69.7	0	0	0	112.2	L743 E744 I750 N751	L743-Y747 HydrophobicContact CD1-CE2 4.36Å; L743-Y747 HydrophobicContact CD2-CE2 4.14Å; L743-Y747 HydrophobicContact CG-CD2 4.07Å; L743-Y747 HydrophobicContact CG-CE2 3.94Å; L743-Y747 WeakPolarHBondContact O-CD2 3.41Å; L743-Y747 PolarHBondContact O-N 2.86Å; E744-Y747 WeakPolarHBondContact O-CB 3.41Å; E744-Y747 PolarHBondContact O-N 2.97Å; E744-Y747 VanDerWaalsContact O-N 3.12Å; Y747-I750 PolarHBondContact O-N 2.95Å; Y747-N751 WeakPolarHBondContact O-CB 3.43Å; Y747-N751 VanDerWaalsContact O-CG 3.26Å; Y747-N751 PolarHBondContact O-N 3.09Å; Y747-N751 PolarHBondContact O-ND2 2.87Å
748	D	93.1	Very high	89.8	Confident	106 Å²	106	102.7 Å²	102.7	57%	0.567	51%	0.513	S	S	*	.	H	α-helix	trans	-65.2	-43.6	177.4	-86.7	-11.7	0	0	0	112.4	E744 I750 N751 K752	E744-D748 PolarHBondContact O-N 3.04Å; D748-I750 VanDerWaalsContact C-N 3.35Å; D748-I750 PolarHBondContact O-N 3.21Å; D748-N751 PolarHBondContact O-N 2.65Å; D748-K752 WeakPolarHBondContact O-CB 3.29Å; D748-K752 PolarHBondContact O-N 3.22Å
749	E	92.9	Very high	88.3	Confident	81 Å²	81	102.4 Å²	102.4	38%	0.379	52%	0.519	S	S	.	.	H	α-helix	trans	-66.4	-36.9	175.9	-168	59.4	-145.3	0	0	111.6	A745 N751 K752 L753	A745-E749 PolarHBondContact O-N 3.05Å; A745-E749 VanDerWaalsContact O-N 3.1Å; E749-N751 VanDerWaalsContact C-N 3.33Å; E749-N751 PolarHBondContact O-N 3.32Å; E749-K752 PolarHBondContact O-N 3.12Å; E749-K752 IonicContact OE1-NZ 3.67Å; E749-K752 PolarHBondContact OE1-NZ 3.23Å; E749-K752 IonicContact OE2-NZ 3.75Å; E749-K752 PolarHBondContact OE2-NZ 2.92Å; E749-L753 HydrophobicContact CG-CD1 4.3Å; E749-L753 WeakPolarHBondContact O-CB 3.26Å; E749-L753 VanDerWaalsContact O-CG 3.26Å; E749-L753 WeakPolarHBondContact O-CG 3.39Å; E749-L753 PolarHBondContact O-N 3.28Å
750	I	92.1	Very high	86.6	Confident	76 Å²	76	102 Å²	102	39%	0.39	53%	0.526	S	S	.	.	H	α-helix	trans	-60.8	-42	171.3	-73.8	166.1	0	0	0	111.1	A746 Y747 D748 R754	A746-I750 WeakPolarHBondContact O-CB 3.45Å; A746-I750 WeakPolarHBondContact O-CD1 3.37Å; A746-I750 WeakPolarHBondContact O-CG1 3.22Å; A746-I750 PolarHBondContact O-N 3.16Å; Y747-I750 PolarHBondContact O-N 2.95Å; D748-I750 VanDerWaalsContact C-N 3.35Å; D748-I750 PolarHBondContact O-N 3.21Å; I750-R754 WeakPolarHBondContact O-CB 3.44Å; I750-R754 WeakPolarHBondContact O-CD 3.42Å; I750-R754 VanDerWaalsContact O-CG 3.23Å; I750-R754 WeakPolarHBondContact O-CG 3.46Å; I750-R754 PolarHBondContact O-N 3.18Å
751	N	90.1	Very high	84.6	Confident	67 Å²	67	102.7 Å²	102.7	36%	0.358	53%	0.531	S	S	.	.	H	α-helix	trans	-68.5	-39.3	178	-73.3	-31.3	0	0	0	112	Y747 D748 E749 R754 Q755	Y747-N751 WeakPolarHBondContact O-CB 3.43Å; Y747-N751 VanDerWaalsContact O-CG 3.26Å; Y747-N751 PolarHBondContact O-N 3.09Å; Y747-N751 PolarHBondContact O-ND2 2.87Å; D748-N751 PolarHBondContact O-N 2.65Å; E749-N751 VanDerWaalsContact C-N 3.33Å; E749-N751 PolarHBondContact O-N 3.32Å; N751-R754 WeakPolarHBondContact O-CB 3.27Å; N751-R754 PolarHBondContact O-N 2.93Å; N751-Q755 WeakPolarHBondContact O-CG 3.37Å; N751-Q755 PolarHBondContact O-N 3.08Å
752	K	91	Very high	82.5	Confident	108 Å²	108	106.9 Å²	106.9	47%	0.47	55%	0.545	S	S	.	.	H	α-helix	trans	-62.5	-45.2	173	171.5	162.2	158.3	-88.8	0	112.2	D748 E749 R754 Q755 L756	D748-K752 WeakPolarHBondContact O-CB 3.29Å; D748-K752 PolarHBondContact O-N 3.22Å; E749-K752 PolarHBondContact O-N 3.12Å; E749-K752 IonicContact OE1-NZ 3.67Å; E749-K752 PolarHBondContact OE1-NZ 3.23Å; E749-K752 IonicContact OE2-NZ 3.75Å; E749-K752 PolarHBondContact OE2-NZ 2.92Å; K752-R754 PolarHBondContact O-N 3.43Å; K752-Q755 PolarHBondContact O-N 3.03Å; K752-L756 WeakPolarHBondContact O-CG 3.15Å; K752-L756 PolarHBondContact O-N 3.24Å
753	L	88.4	Confident	80.3	Confident	90 Å²	90	107.1 Å²	107.1	47%	0.471	56%	0.556	S	S	.	*	H	α-helix	trans	-63	-39.5	173.3	-70.6	168.8	0	0	0	112.1	E749 Q755 L756 L757	E749-L753 HydrophobicContact CG-CD1 4.3Å; E749-L753 WeakPolarHBondContact O-CB 3.26Å; E749-L753 VanDerWaalsContact O-CG 3.26Å; E749-L753 WeakPolarHBondContact O-CG 3.39Å; E749-L753 PolarHBondContact O-N 3.28Å; L753-Q755 VanDerWaalsContact C-N 3.34Å; L753-Q755 PolarHBondContact O-N 3.35Å; L753-L756 PolarHBondContact O-N 2.87Å; L753-L757 WeakPolarHBondContact O-CG 3.37Å; L753-L757 PolarHBondContact O-N 3.35Å
754	R	87.9	Confident	78	Confident	148 Å²	148	110 Å²	110	56%	0.558	57%	0.572	S	S	*	*	H	α-helix	trans	-63.7	-34.5	173.2	-76.2	166.6	170.1	177.1	-4	113.1	I750 N751 K752 R758	I750-R754 WeakPolarHBondContact O-CB 3.44Å; I750-R754 WeakPolarHBondContact O-CD 3.42Å; I750-R754 VanDerWaalsContact O-CG 3.23Å; I750-R754 WeakPolarHBondContact O-CG 3.46Å; I750-R754 PolarHBondContact O-N 3.18Å; N751-R754 WeakPolarHBondContact O-CB 3.27Å; N751-R754 PolarHBondContact O-N 2.93Å; K752-R754 PolarHBondContact O-N 3.43Å; R754-R758 WeakPolarHBondContact O-CG 3.41Å; R754-R758 PolarHBondContact O-N 3.41Å
755	Q	85.5	Confident	75.5	Confident	134 Å²	134	107.5 Å²	107.5	63%	0.626	58%	0.582	S	S	*	*	H	α-helix	trans	-68.8	-45.7	172.8	-72	179.9	17.4	0	0	111.3	N751 K752 L753 L757 R758 V759	N751-Q755 WeakPolarHBondContact O-CG 3.37Å; N751-Q755 PolarHBondContact O-N 3.08Å; K752-Q755 PolarHBondContact O-N 3.03Å; L753-Q755 VanDerWaalsContact C-N 3.34Å; L753-Q755 PolarHBondContact O-N 3.35Å; Q755-L757 VanDerWaalsContact C-N 3.32Å; Q755-L757 PolarHBondContact O-N 2.94Å; Q755-R758 WeakPolarHBondContact O-CB 3.11Å; Q755-R758 PolarHBondContact O-N 3.16Å; Q755-V759 PolarHBondContact O-N 2.68Å
756	L	83.1	Confident	73	Confident	101 Å²	101	114.2 Å²	114.2	53%	0.529	59%	0.594	S	S	.	*	H	α-helix	trans	-58.6	-42.7	176.8	-70.3	169.5	0	0	0	112	K752 L753 R758 V759 S760	K752-L756 WeakPolarHBondContact O-CG 3.15Å; K752-L756 PolarHBondContact O-N 3.24Å; L753-L756 PolarHBondContact O-N 2.87Å; L756-R758 VanDerWaalsContact C-N 3.27Å; L756-R758 PolarHBondContact O-N 3.31Å; L756-V759 PolarHBondContact O-N 2.9Å; L756-V759 VanDerWaalsContact O-N 3.1Å; L756-S760 PolarHBondContact O-N 3.12Å; L756-S760 PolarHBondContact O-OG 3.14Å
757	L	78	Confident	70.6	Confident	116 Å²	116	118.7 Å²	118.7	61%	0.607	62%	0.619	S	S	*	*	H	α-helix	trans	-64.6	-26.1	174.9	-72.7	168.2	0	0	0	113.9	L753 Q755 S761	L753-L757 WeakPolarHBondContact O-CG 3.37Å; L753-L757 PolarHBondContact O-N 3.35Å; Q755-L757 VanDerWaalsContact C-N 3.32Å; Q755-L757 PolarHBondContact O-N 2.94Å; L757-S761 PolarHBondContact O-N 2.71Å; L757-S761 PolarHBondContact O-OG 3.36Å
758	R	70.3	Confident	67.9	Low	198 Å²	198	117.3 Å²	117.3	75%	0.747	65%	0.647	S	S	*	*	H	α-helix	trans	-76.4	-32.4	170.9	-76.5	178	174.1	179	-1.6	112.6	R754 Q755 L756 S761	R754-R758 WeakPolarHBondContact O-CG 3.41Å; R754-R758 PolarHBondContact O-N 3.41Å; Q755-R758 WeakPolarHBondContact O-CB 3.11Å; Q755-R758 PolarHBondContact O-N 3.16Å; L756-R758 VanDerWaalsContact C-N 3.27Å; L756-R758 PolarHBondContact O-N 3.31Å; R758-S761 WeakPolarHBondContact CA-OG 3.36Å; R758-S761 PolarHBondContact O-N 2.89Å; R758-S761 PolarHBondContact O-OG 2.94Å
759	V	61.5	Low	66.7	Low	104 Å²	104	117.9 Å²	117.9	63%	0.63	65%	0.651	S	S	*	*	H	α-helix	trans	-74.2	-36.9	176.3	177.2	0	0	0	0	111.2	Q755 L756 S761	Q755-V759 PolarHBondContact O-N 2.68Å; L756-V759 PolarHBondContact O-N 2.9Å; L756-V759 VanDerWaalsContact O-N 3.1Å; V759-S761 PolarHBondContact O-N 3.32Å
760	S	57.8	Low	65.3	Low	94 Å²	94	119.8 Å²	119.8	66%	0.657	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	7.5	173.1	59.8	0	0	0	0	114.7	L756	L756-S760 PolarHBondContact O-N 3.12Å; L756-S760 PolarHBondContact O-OG 3.14Å
761	S	51.1	Low	63.8	Low	82 Å²	82	122.3 Å²	122.3	57%	0.573	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.9	32.6	169.4	47.8	0	0	0	0	113	L757 R758 V759	L757-S761 PolarHBondContact O-N 2.71Å; L757-S761 PolarHBondContact O-OG 3.36Å; R758-S761 WeakPolarHBondContact CA-OG 3.36Å; R758-S761 PolarHBondContact O-N 2.89Å; R758-S761 PolarHBondContact O-OG 2.94Å; V759-S761 PolarHBondContact O-N 3.32Å
762	L	48.6	Very low	62.3	Low	143 Å²	143	125.5 Å²	125.5	75%	0.749	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-63.9	128.5	154.3	-79.9	164.7	0	0	0	109.3
763	P	46.7	Very low	60.5	Low	112 Å²	112	126.6 Å²	126.6	73%	0.727	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-73.9	158.3	179.9	31.2	-35.6	0	0	0	112	G765	P763-G765 PolarHBondContact O-N 3.44Å
764	D	45.8	Very low	58.6	Low	168 Å²	168	129.1 Å²	129.1	90%	0.898	73%	0.73	S	S	*	*	P	Polyproline II helix	trans	-53.1	121.2	173.7	-92	-56.4	0	0	0	111.9	R766	D764-R766 PolarHBondContact O-N 3.03Å
765	G	41.4	Very low	56.5	Low	80 Å²	80	127.7 Å²	127.7	83%	0.825	74%	0.743	S	S	*	*			trans	-79.2	84.3	-175.6	0	0	0	0	0	113.8	P763	P763-G765 PolarHBondContact O-N 3.44Å
766	R	41.1	Very low	54.3	Low	203 Å²	203	127.2 Å²	127.2	77%	0.766	75%	0.752	S	S	*	*			trans	-134.7	139.2	152.8	-70.2	-168.4	-172.3	-122.7	8.8	108.3	D764 G768	D764-R766 PolarHBondContact O-N 3.03Å; R766-G768 VanDerWaalsContact CD-O 3.31Å; R766-G768 WeakPolarHBondContact CD-O 3.35Å; R766-G768 PolarHBondContact NH1-O 3.05Å
767	P	42.6	Very low	51.9	Low	143 Å²	143	129.4 Å²	129.4	93%	0.929	77%	0.77	S	S	*	*				-106.7	141.1	66.6	33.9	-35.8	0	0	0	114.4
768	G	37.9	Very low	49.5	Very low	110 Å²	110	130.6 Å²	130.6	100%	1.134	79%	0.785	S	S	*	*			trans	151.2	0	-175.6	0	0	0	0	0	109.9	R766	R766-G768 VanDerWaalsContact CD-O 3.31Å; R766-G768 WeakPolarHBondContact CD-O 3.35Å; R766-G768 PolarHBondContact NH1-O 3.05Å

Retrieved 768 of 768 residues in 1213.2 ms (Link to these results)

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