A0A5K4FC23_SCHMA Loading...

NTR domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FC23, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 462 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.2	Very low	31.7	Very low	241 Å²	241	184.5 Å²	184.5	100%	1.187	88%	0.88	S	S	*	*				0	97.1	0	-65.3	160.5	170.6	0	0	106.7
2	R	27	Very low	31.4	Very low	241 Å²	241	185.4 Å²	185.4	91%	0.909	88%	0.877	S	S	*	*				45.8	99	80	-79.5	-167.9	-177.3	177.9	3.8	113.6
3	F	33.1	Very low	31	Very low	224 Å²	224	180.3 Å²	180.3	98%	0.982	86%	0.857	S	S	*	*				-148.5	156.2	122.5	-99	-72.9	0	0	0	109.4
4	K	32.3	Very low	30.6	Very low	201 Å²	201	180.8 Å²	180.8	87%	0.874	85%	0.854	S	S	*	*			trans	-107.2	152.5	-159.5	-74.5	178.3	172.1	179.8	0	114.3
5	N	28.4	Very low	30.1	Very low	154 Å²	154	181.3 Å²	181.3	82%	0.824	86%	0.856	S	S	*	*			trans	-2.8	138.3	151.4	-63.3	-11.9	0	0	0	120
6	V	33.1	Very low	29.7	Very low	150 Å²	150	177.9 Å²	177.9	91%	0.909	85%	0.85	S	S	*	*			trans	-133.1	141.9	132.8	179.9	0	0	0	0	109.7
7	Q	32.9	Very low	29.3	Very low	163 Å²	163	173.3 Å²	173.3	76%	0.762	84%	0.841	S	S	*	*			trans	-69.4	133.2	-164.6	-66.6	-144.1	-46.3	0	0	118.3
8	E	30.3	Very low	29.3	Very low	158 Å²	158	172.3 Å²	172.3	74%	0.738	84%	0.839	S	S	*	*				27.8	126	117	-173.6	173.5	-152.2	0	0	121
9	K	31.5	Very low	29.2	Very low	182 Å²	182	170.5 Å²	170.5	79%	0.791	83%	0.834	S	S	*	*				-164.9	123.9	123.6	-109	163.9	-172.5	167.5	0	115.1
10	R	31.9	Very low	29.2	Very low	237 Å²	237	169.7 Å²	169.7	89%	0.894	83%	0.834	S	S	*	*			trans	69.4	117.3	153.4	-59.6	176.2	174.2	179.4	-3.5	119
11	G	31.2	Very low	29.1	Very low	78 Å²	78	167.7 Å²	167.7	80%	0.804	83%	0.831	S	S	*	*			trans	162.7	56.2	164	0	0	0	0	0	117.9
12	K	28.2	Very low	28.8	Very low	196 Å²	196	162.2 Å²	162.2	85%	0.852	81%	0.805	S	S	*	*			trans	-51.3	148.1	162.2	-75.9	179.4	175.5	-179	0	109.8
13	I	26.1	Very low	29	Very low	119 Å²	119	155.1 Å²	155.1	61%	0.61	78%	0.784	S	S	*	*			cis	-172	167.4	17.8	-123.6	169.7	0	0	0	111.9
14	F	25.2	Very low	28.9	Very low	187 Å²	187	150.1 Å²	150.1	82%	0.82	77%	0.766	S	S	*	*			trans	62.7	120.4	166.3	-64	-42	0	0	0	123.3
15	H	22.5	Very low	28.9	Very low	189 Å²	189	141.5 Å²	141.5	88%	0.875	73%	0.73	S	S	*	*			trans	-80.5	132.6	157.6	-120.1	-98.8	0	0	0	110.3
16	V	24.5	Very low	28.9	Very low	127 Å²	127	138.1 Å²	138.1	77%	0.77	72%	0.718	S	S	*	*			trans	-138	128.8	154.7	178.5	0	0	0	0	108.6
17	S	22.9	Very low	28.8	Very low	99 Å²	99	133 Å²	133	69%	0.692	69%	0.689	S	S	*	*			trans	-80.6	122.9	176.3	-179.3	0	0	0	0	110.6
18	L	29.4	Very low	28.6	Very low	155 Å²	155	131.5 Å²	131.5	81%	0.812	69%	0.685	S	S	*	*			trans	-135.9	120.4	164.1	-86.5	171.7	0	0	0	110.3
19	N	28	Very low	28.6	Very low	139 Å²	139	129.9 Å²	129.9	74%	0.743	68%	0.68	S	S	*	*			trans	-66.4	155.9	173.4	-66.9	-52.3	0	0	0	111
20	N	28.6	Very low	28.3	Very low	154 Å²	154	127 Å²	127	82%	0.824	68%	0.683	S	S	*	*			trans	80.4	69	179	-50.4	-40.2	0	0	0	116.6	I22	N20-I22 PolarHBondContact O-N 3.25Å
21	V	27.5	Very low	28.1	Very low	128 Å²	128	119.9 Å²	119.9	78%	0.776	67%	0.669	S	S	*	*			trans	-75.9	107.5	159.7	179.8	0	0	0	0	109.6	I23	V21-I23 HydrophobicContact CG1-CG1 4.09Å; V21-I23 PolarHBondContact O-N 3.14Å
22	I	30.2	Very low	27.9	Very low	126 Å²	126	124.8 Å²	124.8	65%	0.646	68%	0.675	S	S	*	*			trans	-77.3	106.6	165.6	-62.2	173.7	0	0	0	107.6	N20 I24	N20-I22 PolarHBondContact O-N 3.25Å; I22-I24 HydrophobicContact CG2-CG1 4.06Å; I22-I24 PolarHBondContact O-N 3.23Å; I22-I24 VanDerWaalsContact O-N 3.15Å
23	I	30.8	Very low	27.7	Very low	91 Å²	91	119.1 Å²	119.1	47%	0.467	67%	0.673	S	S	.	*			trans	-77.6	99.2	172.8	-57.5	176.8	0	0	0	108.3	V21 I25	V21-I23 HydrophobicContact CG1-CG1 4.09Å; V21-I23 PolarHBondContact O-N 3.14Å; I23-I25 HydrophobicContact CG2-CG1 3.93Å; I23-I25 PolarHBondContact O-N 2.8Å
24	I	31.7	Very low	27.8	Very low	119 Å²	119	121.4 Å²	121.4	61%	0.61	68%	0.684	S	S	*	*			trans	-78	104.2	169.2	-56.5	178.1	0	0	0	107.7	I22 S26	I22-I24 HydrophobicContact CG2-CG1 4.06Å; I22-I24 PolarHBondContact O-N 3.23Å; I22-I24 VanDerWaalsContact O-N 3.15Å; I24-S26 PolarHBondContact O-N 3.35Å
25	I	32.9	Very low	27.7	Very low	20 Å²	20	119 Å²	119	10%	0.103	68%	0.68	C	S	.	*			trans	-79.3	103.7	179.5	-62.3	178	0	0	0	109.2	I23 S27 Y375 T405	I23-I25 HydrophobicContact CG2-CG1 3.93Å; I23-I25 PolarHBondContact O-N 2.8Å; I25-S27 PolarHBondContact O-N 3.26Å; I25-Y375 WeakPolarHBondContact O-CE1 3.44Å; I25-Y375 PolarHBondContact O-OH 2.85Å; I25-T405 HydrophobicContact CB-CG2 4.48Å; I25-T405 HydrophobicContact CD1-CG2 4.16Å; I25-T405 HydrophobicContact CG1-CG2 3.98Å; I25-T405 HydrophobicContact CG2-CG2 3.88Å
26	S	26.9	Very low	27.8	Very low	83 Å²	83	117.3 Å²	117.3	58%	0.58	68%	0.676	S	S	*	*			trans	-80.7	108.8	171.5	54.9	0	0	0	0	111.6	I24 Y375 R403	I24-S26 PolarHBondContact O-N 3.35Å; S26-Y375 WeakPolarHBondContact CA-OH 3.38Å; S26-R403 PolarHBondContact O-NH1 2.97Å
27	S	31	Very low	27.7	Very low	42 Å²	42	114.8 Å²	114.8	29%	0.294	68%	0.676	S	S	.	*			trans	-110	136	164.4	-162.1	0	0	0	0	110.5	I25 Y375	I25-S27 PolarHBondContact O-N 3.26Å; S27-Y375 PolarHBondContact N-OH 2.84Å; S27-Y375 PolarHBondContact O-OH 3.07Å
28	I	29.1	Very low	27.9	Very low	133 Å²	133	114.6 Å²	114.6	68%	0.682	67%	0.674	S	S	*	*			trans	-82.4	130.7	-175.8	-66.6	168.6	0	0	0	108.5	S30	I28-S30 PolarHBondContact O-N 3.16Å; I28-S30 VanDerWaalsContact O-N 3.08Å
29	I	30	Very low	27.6	Very low	123 Å²	123	112.9 Å²	112.9	63%	0.631	68%	0.675	S	S	*	*			trans	-72.6	99.9	175.3	-64.1	171.7	0	0	0	108.8	S31	I29-S31 VanDerWaalsContact C-N 3.32Å; I29-S31 WeakPolarHBondContact CG2-OG 3.39Å; I29-S31 PolarHBondContact O-N 2.99Å
30	S	26.3	Very low	27.4	Very low	122 Å²	122	112.4 Å²	112.4	85%	0.853	68%	0.681	S	S	*	*			trans	-82.6	81.4	158.4	-70.8	0	0	0	0	109.2	I28	I28-S30 PolarHBondContact O-N 3.16Å; I28-S30 VanDerWaalsContact O-N 3.08Å
31	S	26.2	Very low	27.1	Very low	88 Å²	88	110 Å²	110	62%	0.615	68%	0.676	S	S	*	*			trans	-92.2	119.7	161.9	-67.4	0	0	0	0	109.1	I29	I29-S31 VanDerWaalsContact C-N 3.32Å; I29-S31 WeakPolarHBondContact CG2-OG 3.39Å; I29-S31 PolarHBondContact O-N 2.99Å
32	I	28.6	Very low	27	Very low	181 Å²	181	111.6 Å²	111.6	93%	0.928	68%	0.679	S	S	*	*			trans	169.5	125.1	148	-86.9	148.8	0	0	0	105.1
33	G	23.7	Very low	26.7	Very low	77 Å²	77	109.9 Å²	109.9	79%	0.794	68%	0.678	S	S	*	*			trans	166.8	30.8	-172.5	0	0	0	0	0	114.8
34	I	26.8	Very low	26.4	Very low	167 Å²	167	110.9 Å²	110.9	86%	0.856	69%	0.693	S	S	*	*			trans	-140.7	137.3	164	-61.1	176	0	0	0	104.5
35	D	23.2	Very low	26.2	Very low	137 Å²	137	109.9 Å²	109.9	73%	0.733	70%	0.696	S	S	*	*			cis	174.6	116.1	-20.3	179.9	8.1	0	0	0	101.7
36	I	26.1	Very low	26	Very low	153 Å²	153	114.3 Å²	114.3	79%	0.785	73%	0.725	S	S	*	*			trans	-138.7	82.2	170	-54	-178.2	0	0	0	107.6	S38	I36-S38 PolarHBondContact O-N 3.23Å
37	G	21.5	Very low	26.1	Very low	74 Å²	74	117.7 Å²	117.7	76%	0.763	74%	0.735	S	S	*	*			trans	-72.1	105.2	153.9	0	0	0	0	0	109.6
38	S	27.7	Very low	26.1	Very low	94 Å²	94	120.3 Å²	120.3	66%	0.657	75%	0.753	S	S	*	*			trans	-142	84.7	165.8	64.8	0	0	0	0	110.5	I36 C40	I36-S38 PolarHBondContact O-N 3.23Å; S38-C40 PolarHBondContact O-N 3.43Å
39	S	23.2	Very low	26.1	Very low	119 Å²	119	119 Å²	119	83%	0.832	76%	0.756	S	S	*	*			trans	-70.1	108.3	163.3	49.7	0	0	0	0	109.8
40	C	23.5	Very low	26.1	Very low	130 Å²	130	119 Å²	119	88%	0.878	77%	0.767	S	S	*	*			trans	-141	127.8	158	-94.4	0	0	0	0	109.5	S38	S38-C40 PolarHBondContact O-N 3.43Å
41	S	23	Very low	26.3	Very low	103 Å²	103	118.6 Å²	118.6	72%	0.72	76%	0.764	S	S	*	*			trans	-91.3	159.3	-175	-32.8	0	0	0	0	111.1
42	I	24.7	Very low	26.7	Very low	162 Å²	162	126.2 Å²	126.2	83%	0.831	78%	0.779	S	S	*	*			trans	68.3	133.1	149.6	-62.2	159.8	0	0	0	114.9
43	S	23.2	Very low	27.1	Very low	90 Å²	90	129.6 Å²	129.6	63%	0.629	78%	0.78	S	S	*	*			cis	-173.9	165.9	-10.2	51.5	0	0	0	0	108.4
44	S	25	Very low	27.7	Very low	112 Å²	112	137.1 Å²	137.1	78%	0.783	78%	0.784	S	S	*	*			trans	70.8	146.1	160	-48.1	0	0	0	0	116.7
45	S	27.6	Very low	28.1	Very low	97 Å²	97	134.3 Å²	134.3	68%	0.678	78%	0.78	S	S	*	*			cis	-168.1	153.1	-11.4	43.1	0	0	0	0	111.2
46	T	28.1	Very low	28.9	Very low	113 Å²	113	132.6 Å²	132.6	69%	0.693	78%	0.778	S	S	*	*			trans	64.9	131.7	144.8	46.3	0	0	0	0	124.3
47	I	30.3	Very low	29.5	Very low	155 Å²	155	130.3 Å²	130.3	80%	0.795	78%	0.776	S	S	*	*			trans	74.3	137.4	135.1	-66.7	168.4	0	0	0	117.5
48	S	30.3	Very low	30.4	Very low	96 Å²	96	131.5 Å²	131.5	67%	0.671	77%	0.773	S	S	*	*			cis	-166.6	156.6	-14.2	53.4	0	0	0	0	112.7
49	S	28.1	Very low	31	Very low	106 Å²	106	132 Å²	132	74%	0.741	78%	0.777	S	S	*	*			trans	-9.5	145.3	159.3	53.2	0	0	0	0	122.6
50	S	31.5	Very low	31.8	Very low	123 Å²	123	137.5 Å²	137.5	86%	0.86	78%	0.779	S	S	*	*				-172.9	158.7	120.5	-85.4	0	0	0	0	114.5
51	S	30.8	Very low	32.5	Very low	114 Å²	114	136.3 Å²	136.3	80%	0.797	77%	0.772	S	S	*	*			trans	-126.6	159	-167.2	-46	0	0	0	0	114.2
52	R	33.8	Very low	33.2	Very low	247 Å²	247	135.6 Å²	135.6	93%	0.932	78%	0.781	S	S	*	*			trans	146.8	144.7	135.8	-82.6	174.1	171.8	177.3	-1.7	113.9
53	R	36.4	Very low	33.8	Very low	253 Å²	253	131.5 Å²	131.5	96%	0.955	78%	0.778	S	S	*	*			trans	-125.8	147.9	163.2	-88	-174	171.6	-176	-2.3	110.2
54	R	37.4	Very low	34.5	Very low	234 Å²	234	132.4 Å²	132.4	88%	0.883	79%	0.785	S	S	*	*			trans	-73.8	135.7	175.2	-79.2	173.3	175	172.1	-3.4	110.3
55	S	35.3	Very low	35.2	Very low	108 Å²	108	133.8 Å²	133.8	76%	0.755	78%	0.784	S	S	*	*				52.4	137.3	82.7	74.4	0	0	0	0	113.9
56	S	39.6	Very low	35.7	Very low	101 Å²	101	139.8 Å²	139.8	71%	0.706	79%	0.791	S	S	*	*			cis	-166.4	170.2	25.5	49	0	0	0	0	114.1
57	S	39.4	Very low	36.2	Very low	106 Å²	106	139.2 Å²	139.2	74%	0.741	79%	0.792	S	S	*	*			trans	60.7	145.2	147.8	46.8	0	0	0	0	120.9
58	S	40	Very low	36.5	Very low	98 Å²	98	137.2 Å²	137.2	69%	0.685	79%	0.792	S	S	*	*			cis	-175.6	148.4	-0.9	43.9	0	0	0	0	112
59	S	39.4	Very low	36.8	Very low	106 Å²	106	137.9 Å²	137.9	74%	0.741	80%	0.797	S	S	*	*			trans	41.4	153.5	147.7	56.4	0	0	0	0	121.8
60	R	40.1	Very low	37.1	Very low	234 Å²	234	137.7 Å²	137.7	88%	0.883	80%	0.795	S	S	*	*			cis	-175.9	171.5	4.5	-111.1	179	174.6	173.1	-2.2	105.5
61	S	39.5	Very low	37.1	Very low	105 Å²	105	136.7 Å²	136.7	73%	0.734	79%	0.788	S	S	*	*			cis	-177.4	134	-31.4	48.9	0	0	0	0	110.5
62	G	36.4	Very low	37.2	Very low	88 Å²	88	142.7 Å²	142.7	91%	0.907	79%	0.793	S	S	*	*			trans	104.8	150.5	174.1	0	0	0	0	0	114.9
63	G	36.9	Very low	37.1	Very low	75 Å²	75	136 Å²	136	77%	0.773	79%	0.785	S	S	*	*			cis	-170.1	162.5	-3.1	0	0	0	0	0	112.9
64	S	39.5	Very low	37	Very low	110 Å²	110	130.1 Å²	130.1	77%	0.769	78%	0.782	S	S	*	*			trans	-37.2	159.7	178.4	-37.6	0	0	0	0	117.4
65	N	38.6	Very low	36.7	Very low	141 Å²	141	126.5 Å²	126.5	75%	0.754	78%	0.781	S	S	*	*			cis	-166.9	163.6	43.1	-122	-30.1	0	0	0	116
66	R	37.9	Very low	36.7	Very low	222 Å²	222	127.2 Å²	127.2	84%	0.838	79%	0.786	S	S	*	*			trans	-18	159.6	162.8	-63.1	169.9	166	-175.6	-4.6	119.6
67	S	38.6	Very low	36.1	Very low	101 Å²	101	129.8 Å²	129.8	71%	0.706	79%	0.791	S	S	*	*				-170.7	155.3	52.8	-51	0	0	0	0	115.4
68	S	37.3	Very low	35.7	Very low	114 Å²	114	130.9 Å²	130.9	80%	0.797	80%	0.799	S	S	*	*			trans	51.9	146.3	147.6	49.8	0	0	0	0	120.2
69	S	35.9	Very low	35.1	Very low	110 Å²	110	131.8 Å²	131.8	77%	0.769	81%	0.805	S	S	*	*			cis	-175.4	171.5	13.1	23.1	0	0	0	0	107.9
70	S	34.8	Very low	34.5	Very low	101 Å²	101	131.8 Å²	131.8	71%	0.706	81%	0.805	S	S	*	*			cis	-167.9	129.8	-5.7	41.8	0	0	0	0	112.7
71	S	31.7	Very low	34	Very low	103 Å²	103	127.2 Å²	127.2	72%	0.72	80%	0.803	S	S	*	*			trans	47.1	119.7	139.4	65.6	0	0	0	0	124.4
72	R	33.1	Very low	33.3	Very low	239 Å²	239	129.8 Å²	129.8	90%	0.902	81%	0.809	S	S	*	*				168.3	108.3	125.3	-95.3	173.2	174.5	177.5	-1.5	108.6
73	S	31.6	Very low	32.9	Very low	108 Å²	108	130.8 Å²	130.8	76%	0.755	80%	0.802	S	S	*	*				75.9	98.6	60.6	-56.3	0	0	0	0	114.7
74	S	35.3	Very low	32.3	Very low	129 Å²	129	134.6 Å²	134.6	90%	0.902	81%	0.805	S	S	*	*			trans	-172.6	121.2	142.8	-79.5	0	0	0	0	110.7
75	N	29.8	Very low	31.7	Very low	158 Å²	158	136.5 Å²	136.5	85%	0.845	81%	0.805	S	S	*	*			trans	-93.7	150	-179.8	-75.3	-23.5	0	0	0	112.1
76	S	34.7	Very low	31	Very low	123 Å²	123	135.3 Å²	135.3	86%	0.86	81%	0.808	S	S	*	*				-163.4	132.1	129.8	49.3	0	0	0	0	111.4
77	N	28.8	Very low	30.4	Very low	154 Å²	154	129.5 Å²	129.5	82%	0.824	80%	0.801	S	S	*	*			trans	-87.8	143	-175.1	-64.9	-41.8	0	0	0	112
78	S	29.5	Very low	29.7	Very low	130 Å²	130	130.7 Å²	130.7	91%	0.909	81%	0.809	S	S	*	*			trans	-146.3	126.1	140.1	-57.3	0	0	0	0	109.7
79	S	27.2	Very low	29.2	Very low	117 Å²	117	130.1 Å²	130.1	82%	0.818	81%	0.805	S	S	*	*			trans	-91.9	138.8	-172.2	50.7	0	0	0	0	114.1
80	S	28.4	Very low	28.8	Very low	106 Å²	106	130 Å²	130	74%	0.741	81%	0.805	S	S	*	*				-170.5	117.8	129.9	55.1	0	0	0	0	113.6
81	T	28.2	Very low	28.4	Very low	137 Å²	137	130.2 Å²	130.2	84%	0.84	81%	0.806	S	S	*	*			trans	54.6	102.3	152.6	48.2	0	0	0	0	120.3
82	N	25.4	Very low	28.1	Very low	159 Å²	159	134.6 Å²	134.6	85%	0.85	81%	0.807	S	S	*	*			trans	-67.8	141.2	156.2	-79.3	-33.9	0	0	0	111.9
83	S	28	Very low	27.8	Very low	110 Å²	110	126.9 Å²	126.9	77%	0.769	79%	0.794	S	S	*	*			trans	-140.8	102.6	148.5	53.5	0	0	0	0	110	I85	S83-I85 PolarHBondContact O-N 3Å
84	N	25.1	Very low	27.6	Very low	155 Å²	155	129.5 Å²	129.5	83%	0.829	80%	0.796	S	S	*	*			trans	-67.6	121.7	173.8	-76.6	-33.9	0	0	0	109.8
85	I	26.7	Very low	27.5	Very low	150 Å²	150	130.2 Å²	130.2	77%	0.769	79%	0.785	S	S	*	*			trans	-122.2	99.8	157.3	-60.9	-177.8	0	0	0	108.1	S83 S87	S83-I85 PolarHBondContact O-N 3Å; I85-S87 PolarHBondContact O-N 3.14Å; I85-S87 VanDerWaalsContact O-N 3.16Å
86	S	23.5	Very low	27.5	Very low	116 Å²	116	128.2 Å²	128.2	81%	0.811	77%	0.774	S	S	*	*			trans	-70.1	98.7	170.1	49.5	0	0	0	0	110.4
87	S	25.3	Very low	27.6	Very low	100 Å²	100	127.4 Å²	127.4	70%	0.699	76%	0.756	S	S	*	*			trans	-98.6	84.8	173.7	63.6	0	0	0	0	111.5	I85 S89	I85-S87 PolarHBondContact O-N 3.14Å; I85-S87 VanDerWaalsContact O-N 3.16Å; S87-S89 VanDerWaalsContact C-N 3.34Å; S87-S89 PolarHBondContact O-N 3.32Å
88	S	22.6	Very low	28.2	Very low	126 Å²	126	126.7 Å²	126.7	88%	0.881	75%	0.752	S	S	*	*			trans	-72.5	83.4	169.3	56.4	0	0	0	0	110.9
89	S	27.8	Very low	29	Very low	102 Å²	102	121.9 Å²	121.9	71%	0.713	72%	0.716	S	S	*	*			trans	-106.7	103.4	172.3	62.1	0	0	0	0	111.2	S87 S91	S87-S89 VanDerWaalsContact C-N 3.34Å; S87-S89 PolarHBondContact O-N 3.32Å; S89-S91 PolarHBondContact O-N 2.73Å
90	S	26.3	Very low	30.1	Very low	108 Å²	108	118.2 Å²	118.2	76%	0.755	69%	0.689	S	S	*	*			trans	-44.2	119.8	174.2	173.4	0	0	0	0	112.5	R92	S90-R92 VanDerWaalsContact C-N 3.35Å; S90-R92 PolarHBondContact O-N 3.3Å
91	S	26.5	Very low	31.3	Very low	104 Å²	104	113.6 Å²	113.6	73%	0.727	66%	0.657	S	S	*	*			trans	-75	80.8	175	54.5	0	0	0	0	111.1	S89 A93	S89-S91 PolarHBondContact O-N 2.73Å; S91-A93 PolarHBondContact O-N 2.74Å
92	R	27	Very low	32.7	Very low	195 Å²	195	108.4 Å²	108.4	74%	0.736	62%	0.623	S	S	*	*			trans	-73.7	115.6	160.7	-68.8	-175.2	-175.2	168.9	1.5	108.1	S90	S90-R92 VanDerWaalsContact C-N 3.35Å; S90-R92 PolarHBondContact O-N 3.3Å
93	A	26	Very low	34	Very low	77 Å²	77	103.2 Å²	103.2	64%	0.636	60%	0.599	S	S	*	*			trans	-64	134.3	170.7	0	0	0	0	0	108.9	S91 E95	S91-A93 PolarHBondContact O-N 2.74Å; A93-E95 PolarHBondContact O-N 3.14Å
94	M	28.3	Very low	35.3	Very low	163 Å²	163	100.7 Å²	100.7	80%	0.803	58%	0.579	S	S	*	*			trans	-85.5	103.3	178.2	-68	-179.1	-75.4	0	0	108.8
95	E	32.4	Very low	37	Very low	144 Å²	144	93.4 Å²	93.4	67%	0.673	54%	0.54	S	S	*	.			trans	-81.9	127.1	169.8	-70.3	-169.8	164.1	0	0	110.1	A93 H97	A93-E95 PolarHBondContact O-N 3.14Å; E95-H97 IonicContact OE2-CE1 3.76Å; E95-H97 PolarHBondContact OE2-CE1 3.27Å
96	I	30.6	Very low	38.7	Very low	117 Å²	117	88.9 Å²	88.9	60%	0.6	52%	0.517	S	S	*	.			trans	-86.2	115.3	171.9	-61	172.3	0	0	0	106.8
97	H	36.5	Very low	40.4	Very low	105 Å²	105	86.4 Å²	86.4	49%	0.486	50%	0.5	S	S	.	.			trans	-97	125.8	175.2	-59.5	-43.5	0	0	0	110.8	E95 I99	E95-H97 IonicContact OE2-CE1 3.76Å; E95-H97 PolarHBondContact OE2-CE1 3.27Å; H97-I99 HydrophobicContact CB-CD1 4.31Å; H97-I99 HydrophobicContact CB-CG1 4.19Å; H97-I99 PolarHBondContact O-N 3.46Å
98	D	40.2	Very low	42.1	Very low	139 Å²	139	83 Å²	83	74%	0.743	47%	0.474	S	S	*	.			trans	-74	76.1	167.8	-75.5	-36.8	0	0	0	110	P100	D98-P100 WeakPolarHBondContact O-CD 3.25Å
99	I	47	Very low	44	Very low	29 Å²	29	78.6 Å²	78.6	15%	0.149	44%	0.44	C	S	.	.			trans	-119.1	82	168.9	-53.4	177.3	0	0	0	108.4	H97 C105 L108 L260 L268	H97-I99 HydrophobicContact CB-CD1 4.31Å; H97-I99 HydrophobicContact CB-CG1 4.19Å; H97-I99 PolarHBondContact O-N 3.46Å; I99-C105 HydrophobicContact CG2-CB 3.64Å; I99-L108 HydrophobicContact CD1-CD2 3.84Å; I99-L108 HydrophobicContact CG1-CD2 4.35Å; I99-L260 HydrophobicContact CD1-CD1 4.37Å; I99-L260 HydrophobicContact CD1-CD2 3.88Å; I99-L268 HydrophobicContact CG2-CD1 4.43Å
100	P	49.5	Very low	45.5	Very low	41 Å²	41	76.7 Å²	76.7	27%	0.266	43%	0.427	S	S	.	.			trans	-93.2	-10.5	-156.7	33.7	-34.4	0	0	0	115.5	D98 C273	D98-P100 WeakPolarHBondContact O-CD 3.25Å; P100-C273 WeakPolarHBondContact CB-SG 3.38Å; P100-C273 WeakPolarHBondContact CG-SG 3.38Å; P100-C273 PolarHBondContact O-SG 3.34Å
101	C	53.6	Low	47	Very low	8 Å²	8	75.4 Å²	75.4	5%	0.054	41%	0.411	C	S	.	.	S	Bend	trans	-148.7	157.2	179.5	17.1	0	0	0	0	112.6	S103 T104 C105 C273	C101-S103 PolarHBondContact O-N 2.85Å; C101-T104 PolarHBondContact N-OG1 3.07Å; C101-T104 VanDerWaalsContact N-OG1 3.1Å; C101-T104 PolarHBondContact O-N 3.48Å; C101-T104 PolarHBondContact O-OG1 3.2Å; C101-T104 PolarHBondContact SG-OG1 3.26Å; C101-C105 PolarHBondContact O-N 2.83Å; C101-C273 HydrophobicContact CB-CB 4.13Å; C101-C273 WeakPolarHBondContact CB-SG 3.45Å; C101-C273 PolarHBondContact N-SG 3.34Å; C101-C273 VanDerWaalsContact N-SG 3.44Å; C101-C273 WeakPolarHBondContact SG-CB 3.04Å; C101-C273 PolarHBondContact SG-N 3.36Å; C101-C273 CovalentContact SG-SG 2.06Å; C101-C273 PolarHBondContact SG-SG 3.45Å
102	Q	57.7	Low	48.5	Very low	29 Å²	29	70.7 Å²	70.7	14%	0.136	38%	0.378	C	S	.	.	H	α-helix	trans	-53.1	-42.6	177.5	173.3	172	87.8	0	0	112	T104 C105 L106 C265 L268 P269	Q102-T104 PolarHBondContact O-N 3.02Å; Q102-C105 PolarHBondContact O-N 2.81Å; Q102-L106 HydrophobicContact CG-CD1 3.75Å; Q102-L106 HydrophobicContact CG-CG 4.23Å; Q102-L106 WeakPolarHBondContact O-CB 3.07Å; Q102-L106 WeakPolarHBondContact O-CG 3.27Å; Q102-L106 PolarHBondContact O-N 3.38Å; Q102-C265 WeakPolarHBondContact CG-O 3.39Å; Q102-C265 PolarHBondContact NE2-O 3.1Å; Q102-L268 HydrophobicContact CB-CB 3.96Å; Q102-L268 PolarHBondContact NE2-O 3.15Å; Q102-P269 VanDerWaalsContact CB-O 3.22Å; Q102-P269 WeakPolarHBondContact CB-O 3.33Å
103	S	53	Low	49.9	Very low	50 Å²	50	62.7 Å²	62.7	35%	0.35	36%	0.356	S	S	.	.	H	α-helix	trans	-63.2	-37.9	178.6	56.9	0	0	0	0	113.4	C101 S107	C101-S103 PolarHBondContact O-N 2.85Å; S103-S107 WeakPolarHBondContact O-CB 3.38Å; S103-S107 PolarHBondContact O-N 3.43Å; S103-S107 PolarHBondContact O-OG 2.93Å
104	T	56	Low	51.3	Low	57 Å²	57	65.2 Å²	65.2	35%	0.35	36%	0.355	S	S	.	.	H	α-helix	trans	-75	-34.3	176.4	36.6	0	0	0	0	112	C101 Q102 S107 L108	C101-T104 PolarHBondContact N-OG1 3.07Å; C101-T104 VanDerWaalsContact N-OG1 3.1Å; C101-T104 PolarHBondContact O-N 3.48Å; C101-T104 PolarHBondContact O-OG1 3.2Å; C101-T104 PolarHBondContact SG-OG1 3.26Å; Q102-T104 PolarHBondContact O-N 3.02Å; T104-S107 PolarHBondContact O-N 3.03Å; T104-L108 VanDerWaalsContact O-CB 3.31Å; T104-L108 WeakPolarHBondContact O-CB 3.45Å; T104-L108 PolarHBondContact O-N 2.03Å
105	C	61.2	Low	52.5	Low	1 Å²	1	59.4 Å²	59.4	1%	0.007	33%	0.327	C	S	.	.	H	α-helix	trans	-63	-52.7	172.5	-167.3	0	0	0	0	111.6	I99 C101 Q102 S107 L108 L109 C265 L268	I99-C105 HydrophobicContact CG2-CB 3.64Å; C101-C105 PolarHBondContact O-N 2.83Å; Q102-C105 PolarHBondContact O-N 2.81Å; C105-S107 VanDerWaalsContact C-N 3.33Å; C105-S107 PolarHBondContact O-N 3.37Å; C105-L108 WeakPolarHBondContact O-CB 3.35Å; C105-L108 PolarHBondContact O-N 3.42Å; C105-L109 PolarHBondContact O-N 2.86Å; C105-C265 HydrophobicContact CB-CB 3.63Å; C105-C265 WeakPolarHBondContact CB-SG 3.1Å; C105-C265 WeakPolarHBondContact SG-CA 3.47Å; C105-C265 WeakPolarHBondContact SG-CB 3.19Å; C105-C265 CovalentContact SG-SG 2.03Å; C105-C265 PolarHBondContact SG-SG 3.3Å; C105-L268 HydrophobicContact CB-CD1 3.57Å
106	L	61.5	Low	53.4	Low	55 Å²	55	57.7 Å²	57.7	29%	0.288	31%	0.314	S	S	.	.	H	α-helix	trans	-63.8	-36.1	175.4	-66.5	174.7	0	0	0	112.3	Q102 L109 S110 E262 C265	Q102-L106 HydrophobicContact CG-CD1 3.75Å; Q102-L106 HydrophobicContact CG-CG 4.23Å; Q102-L106 WeakPolarHBondContact O-CB 3.07Å; Q102-L106 WeakPolarHBondContact O-CG 3.27Å; Q102-L106 PolarHBondContact O-N 3.38Å; L106-L109 PolarHBondContact O-N 3.09Å; L106-S110 VanDerWaalsContact O-CB 3.29Å; L106-S110 WeakPolarHBondContact O-CB 3.42Å; L106-S110 PolarHBondContact O-N 3.42Å; L106-E262 HydrophobicContact CD2-CG 3.91Å; L106-C265 HydrophobicContact CD2-CB 3.62Å; L106-C265 HydrophobicContact CG-CB 3.9Å
107	S	59	Low	54.4	Low	64 Å²	64	59 Å²	59	45%	0.448	32%	0.322	S	S	.	.	H	α-helix	trans	-65.5	-39.5	173.8	-62.1	0	0	0	0	111.9	S103 T104 C105 S110 I111	S103-S107 WeakPolarHBondContact O-CB 3.38Å; S103-S107 PolarHBondContact O-N 3.43Å; S103-S107 PolarHBondContact O-OG 2.93Å; T104-S107 PolarHBondContact O-N 3.03Å; C105-S107 VanDerWaalsContact C-N 3.33Å; C105-S107 PolarHBondContact O-N 3.37Å; S107-S110 PolarHBondContact O-N 3.2Å; S107-I111 WeakPolarHBondContact O-CB 3.4Å; S107-I111 WeakPolarHBondContact O-CD1 3.47Å; S107-I111 VanDerWaalsContact O-CG1 3.23Å; S107-I111 WeakPolarHBondContact O-CG1 3.35Å; S107-I111 PolarHBondContact O-N 3.34Å
108	L	60.9	Low	54.7	Low	29 Å²	29	55.4 Å²	55.4	15%	0.152	31%	0.311	C	S	.	.	H	α-helix	trans	-63	-47.9	174.6	178.4	65.7	0	0	0	110.4	I99 T104 C105 S110 I111 C112 P127 L260	I99-L108 HydrophobicContact CD1-CD2 3.84Å; I99-L108 HydrophobicContact CG1-CD2 4.35Å; T104-L108 VanDerWaalsContact O-CB 3.31Å; T104-L108 WeakPolarHBondContact O-CB 3.45Å; T104-L108 PolarHBondContact O-N 2.03Å; C105-L108 WeakPolarHBondContact O-CB 3.35Å; C105-L108 PolarHBondContact O-N 3.42Å; L108-S110 VanDerWaalsContact C-N 3.33Å; L108-S110 PolarHBondContact O-N 3.45Å; L108-I111 PolarHBondContact O-N 3.09Å; L108-C112 WeakPolarHBondContact O-CB 3.39Å; L108-C112 PolarHBondContact O-N 3.41Å; L108-C112 PolarHBondContact O-SG 2.91Å; L108-P127 HydrophobicContact CD1-CB 4.26Å; L108-P127 HydrophobicContact CD1-CG 4.37Å; L108-L260 HydrophobicContact CD2-CD2 4.34Å
109	L	63.1	Low	54.9	Low	33 Å²	33	53 Å²	53	17%	0.173	30%	0.303	C	S	.	.	H	α-helix	trans	-59.4	-41.8	174.9	-68.2	-177.1	0	0	0	112.4	C105 L106 C112 G113 L260 E262 C265	C105-L109 PolarHBondContact O-N 2.86Å; L106-L109 PolarHBondContact O-N 3.09Å; L109-C112 PolarHBondContact O-N 3.29Å; L109-G113 PolarHBondContact O-N 2.85Å; L109-L260 HydrophobicContact CD2-CB 4.3Å; L109-L260 HydrophobicContact CD2-CD2 4.37Å; L109-L260 WeakPolarHBondContact CD2-O 3.36Å; L109-E262 HydrophobicContact CD1-CB 4.16Å; L109-C265 HydrophobicContact CD1-CB 4.48Å; L109-C265 WeakPolarHBondContact CD1-SG 3.49Å
110	S	60.3	Low	54.9	Low	62 Å²	62	60 Å²	60	43%	0.434	34%	0.335	S	S	.	.	H	α-helix	trans	-62.2	-45.7	175.5	-177.1	0	0	0	0	112	L106 S107 L108 C112 G113 Q114	L106-S110 VanDerWaalsContact O-CB 3.29Å; L106-S110 WeakPolarHBondContact O-CB 3.42Å; L106-S110 PolarHBondContact O-N 3.42Å; S107-S110 PolarHBondContact O-N 3.2Å; L108-S110 VanDerWaalsContact C-N 3.33Å; L108-S110 PolarHBondContact O-N 3.45Å; S110-C112 PolarHBondContact O-N 2.8Å; S110-G113 PolarHBondContact O-N 3.05Å; S110-Q114 WeakPolarHBondContact O-CG 3.42Å; S110-Q114 PolarHBondContact O-N 3.12Å
111	I	57.8	Low	54.5	Low	81 Å²	81	62.6 Å²	62.6	42%	0.415	35%	0.354	S	S	.	.	H	α-helix	trans	-61.7	-44	174	-70	163.2	0	0	0	110.6	S107 L108 G113 Q114 L115	S107-I111 WeakPolarHBondContact O-CB 3.4Å; S107-I111 WeakPolarHBondContact O-CD1 3.47Å; S107-I111 VanDerWaalsContact O-CG1 3.23Å; S107-I111 WeakPolarHBondContact O-CG1 3.35Å; S107-I111 PolarHBondContact O-N 3.34Å; L108-I111 PolarHBondContact O-N 3.09Å; I111-G113 VanDerWaalsContact C-N 3.31Å; I111-G113 PolarHBondContact O-N 2.88Å; I111-Q114 PolarHBondContact O-N 3.36Å; I111-L115 HydrophobicContact CG2-CD1 3.8Å; I111-L115 HydrophobicContact CG2-CG 4.29Å; I111-L115 WeakPolarHBondContact O-CB 3.37Å; I111-L115 VanDerWaalsContact O-CG 3.27Å; I111-L115 WeakPolarHBondContact O-CG 3.49Å; I111-L115 PolarHBondContact O-N 3.44Å
112	C	57.1	Low	53.7	Low	5 Å²	5	68.2 Å²	68.2	3%	0.034	38%	0.378	C	S	.	.	H	α-helix	trans	-62.4	-36.9	175.5	-63.6	0	0	0	0	112.2	L108 L109 S110 R116 C130	L108-C112 WeakPolarHBondContact O-CB 3.39Å; L108-C112 PolarHBondContact O-N 3.41Å; L108-C112 PolarHBondContact O-SG 2.91Å; L109-C112 PolarHBondContact O-N 3.29Å; S110-C112 PolarHBondContact O-N 2.8Å; C112-R116 VanDerWaalsContact O-CG 3.25Å; C112-R116 WeakPolarHBondContact O-CG 3.31Å; C112-R116 PolarHBondContact O-N 3.38Å; C112-C130 VanDerWaalsContact CA-SG 3.58Å; C112-C130 HydrophobicContact CB-CB 3.74Å; C112-C130 WeakPolarHBondContact CB-SG 3.37Å; C112-C130 WeakPolarHBondContact SG-CA 3.1Å; C112-C130 WeakPolarHBondContact SG-CB 3.41Å; C112-C130 CovalentContact SG-SG 2.03Å; C112-C130 PolarHBondContact SG-SG 2.88Å
113	G	55.2	Low	53	Low	28 Å²	28	71.6 Å²	71.6	29%	0.289	39%	0.393	S	S	.	.	H	α-helix	trans	-66.6	-44.1	173.1	0	0	0	0	0	112.8	L109 S110 I111 R116 N117	L109-G113 PolarHBondContact O-N 2.85Å; S110-G113 PolarHBondContact O-N 3.05Å; I111-G113 VanDerWaalsContact C-N 3.31Å; I111-G113 PolarHBondContact O-N 2.88Å; G113-R116 PolarHBondContact O-N 3.42Å; G113-N117 PolarHBondContact O-N 2.81Å
114	Q	56.2	Low	52.3	Low	129 Å²	129	78 Å²	78	60%	0.603	42%	0.419	S	S	*	.	H	α-helix	trans	-63.8	-42.5	175.3	-71.2	176.3	13.6	0	0	111.9	S110 I111 R116 N117 A118	S110-Q114 WeakPolarHBondContact O-CG 3.42Å; S110-Q114 PolarHBondContact O-N 3.12Å; I111-Q114 PolarHBondContact O-N 3.36Å; Q114-R116 VanDerWaalsContact C-N 3.33Å; Q114-R116 PolarHBondContact O-N 3.3Å; Q114-N117 CarbonylContact O-C 3.54Å; Q114-N117 PolarHBondContact O-N 3.42Å; Q114-N117 VanDerWaalsContact O-N 3.14Å; Q114-A118 PolarHBondContact O-N 3.36Å; Q114-A118 VanDerWaalsContact O-N 3.09Å
115	L	53.8	Low	51.7	Low	41 Å²	41	81.4 Å²	81.4	22%	0.215	44%	0.435	C	S	.	.	H	α-helix	trans	-66.8	-30.9	177.3	-71.6	172.2	0	0	0	112.8	I111 N117 A118	I111-L115 HydrophobicContact CG2-CD1 3.8Å; I111-L115 HydrophobicContact CG2-CG 4.29Å; I111-L115 WeakPolarHBondContact O-CB 3.37Å; I111-L115 VanDerWaalsContact O-CG 3.27Å; I111-L115 WeakPolarHBondContact O-CG 3.49Å; I111-L115 PolarHBondContact O-N 3.44Å; L115-N117 VanDerWaalsContact C-N 3.29Å; L115-A118 PolarHBondContact O-N 2.85Å
116	R	52.2	Low	50.9	Low	109 Å²	109	84 Å²	84	41%	0.411	45%	0.448	S	S	.	.	H	α-helix	trans	-66.6	-29.8	171.1	-78.1	166.6	166.9	-155.4	-5.5	113.1	C112 G113 Q114 P131 T133	C112-R116 VanDerWaalsContact O-CG 3.25Å; C112-R116 WeakPolarHBondContact O-CG 3.31Å; C112-R116 PolarHBondContact O-N 3.38Å; G113-R116 PolarHBondContact O-N 3.42Å; Q114-R116 VanDerWaalsContact C-N 3.33Å; Q114-R116 PolarHBondContact O-N 3.3Å; R116-P131 PolarHBondContact NH2-O 3Å; R116-T133 PolarHBondContact NH2-O 3.25Å
117	N	50.6	Low	50	Low	144 Å²	144	83.5 Å²	83.5	77%	0.77	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-2.9	-179.4	-64.2	-11.9	0	0	0	113.1	G113 Q114 L115	G113-N117 PolarHBondContact O-N 2.81Å; Q114-N117 CarbonylContact O-C 3.54Å; Q114-N117 PolarHBondContact O-N 3.42Å; Q114-N117 VanDerWaalsContact O-N 3.14Å; L115-N117 VanDerWaalsContact C-N 3.29Å
118	A	43.8	Very low	49.4	Very low	29 Å²	29	84.8 Å²	84.8	24%	0.24	46%	0.457	C	S	.	.	S	Bend	trans	-79.1	146.3	177.6	0	0	0	0	0	111.3	Q114 L115	Q114-A118 PolarHBondContact O-N 3.36Å; Q114-A118 VanDerWaalsContact O-N 3.09Å; L115-A118 PolarHBondContact O-N 2.85Å
119	P	42.4	Very low	48.5	Very low	90 Å²	90	85.3 Å²	85.3	58%	0.584	46%	0.464	S	S	*	.			trans	-59.6	152	175	24.1	-33.2	0	0	0	111.9	S121 F122	P119-S121 PolarHBondContact O-N 2.96Å; P119-F122 PolarHBondContact O-N 2.83Å
120	Q	47.1	Very low	47.5	Very low	174 Å²	174	84 Å²	84	81%	0.813	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-58	-13.6	-164.6	-75.5	-178.8	-13	0	0	116.4	F122 F123	Q120-F122 PolarHBondContact O-N 3.5Å; Q120-F123 HydrophobicContact CB-CD2 4.43Å; Q120-F123 HydrophobicContact CB-CE2 4.43Å; Q120-F123 HydrophobicContact CG-CE2 4.2Å; Q120-F123 WeakPolarHBondContact O-CD2 3.44Å
121	S	42.5	Very low	46.8	Very low	97 Å²	97	81.9 Å²	81.9	68%	0.678	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-67.5	-10.9	178.4	46.3	0	0	0	0	115.7	P119	P119-S121 PolarHBondContact O-N 2.96Å
122	F	37	Very low	46.1	Very low	125 Å²	125	83.5 Å²	83.5	55%	0.548	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-107.1	4	-177.3	-69.4	-79.7	0	0	0	116	P119 Q120 M124 N125	P119-F122 PolarHBondContact O-N 2.83Å; Q120-F122 PolarHBondContact O-N 3.5Å; F122-M124 PolarHBondContact O-N 3.26Å; F122-N125 PolarHBondContact O-N 2.86Å
123	F	41.9	Very low	45.4	Very low	101 Å²	101	88.2 Å²	88.2	44%	0.443	48%	0.48	S	S	.	.	G	3₁₀ helix	trans	-66.3	-10	-169.7	-85	-114	0	0	0	115.8	Q120 N125 I126	Q120-F123 HydrophobicContact CB-CD2 4.43Å; Q120-F123 HydrophobicContact CB-CE2 4.43Å; Q120-F123 HydrophobicContact CG-CE2 4.2Å; Q120-F123 WeakPolarHBondContact O-CD2 3.44Å; F123-N125 VanDerWaalsContact C-N 3.29Å; F123-N125 PolarHBondContact O-N 3.41Å; F123-I126 HydrophobicContact CB-CD1 4.49Å; F123-I126 HydrophobicContact CD1-CD1 3.79Å; F123-I126 HydrophobicContact CE1-CD1 4.26Å; F123-I126 HydrophobicContact CG-CD1 4.26Å
124	M	38.4	Very low	44.4	Very low	183 Å²	183	94 Å²	94	90%	0.901	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-74.4	-11	-179.7	-67.5	-66.6	175.3	0	0	114.8	F122	F122-M124 PolarHBondContact O-N 3.26Å
125	N	43.9	Very low	43.4	Very low	129 Å²	129	94.9 Å²	94.9	69%	0.69	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-116	16.1	-172.8	-69.5	-31.8	0	0	0	114.5	F122 F123 P127	F122-N125 PolarHBondContact O-N 2.86Å; F123-N125 VanDerWaalsContact C-N 3.29Å; F123-N125 PolarHBondContact O-N 3.41Å; N125-P127 WeakPolarHBondContact O-CD 3.36Å
126	I	44.2	Very low	42.2	Very low	55 Å²	55	99.7 Å²	99.7	28%	0.282	54%	0.538	S	S	.	.			trans	-68.4	123	-179.4	-59.7	175	0	0	0	109.7	F123 S128 C130	F123-I126 HydrophobicContact CB-CD1 4.49Å; F123-I126 HydrophobicContact CD1-CD1 3.79Å; F123-I126 HydrophobicContact CE1-CD1 4.26Å; F123-I126 HydrophobicContact CG-CD1 4.26Å; I126-S128 PolarHBondContact O-N 3.13Å; I126-C130 HydrophobicContact CG2-CB 3.61Å
127	P	43.4	Very low	41	Very low	46 Å²	46	101.4 Å²	101.4	30%	0.299	55%	0.551	S	S	.	*			trans	-52.6	137.5	172.8	-26.8	34	0	0	0	111.8	L108 N125 S129 C130	L108-P127 HydrophobicContact CD1-CB 4.26Å; L108-P127 HydrophobicContact CD1-CG 4.37Å; N125-P127 WeakPolarHBondContact O-CD 3.36Å; P127-S129 PolarHBondContact O-N 3.33Å; P127-C130 WeakPolarHBondContact O-CB 3.43Å; P127-C130 PolarHBondContact O-N 3.02Å
128	S	45.5	Very low	40	Very low	90 Å²	90	100.2 Å²	100.2	63%	0.629	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.7	-178.1	55	0	0	0	0	113.5	I126 K257	I126-S128 PolarHBondContact O-N 3.13Å; S128-K257 WeakPolarHBondContact O-CE 3.47Å; S128-K257 PolarHBondContact O-NZ 2.92Å
129	S	42.2	Very low	39.3	Very low	41 Å²	41	103.5 Å²	103.5	29%	0.287	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.7	-7.4	176.1	44.4	0	0	0	0	115.2	P127	P127-S129 PolarHBondContact O-N 3.33Å
130	C	41.5	Very low	38.6	Very low	5 Å²	5	107.7 Å²	107.7	3%	0.034	58%	0.582	C	S	.	*	S	Bend	trans	-68.4	136.6	174.5	-70.1	0	0	0	0	111.6	C112 I126 P127 N132	C112-C130 VanDerWaalsContact CA-SG 3.58Å; C112-C130 HydrophobicContact CB-CB 3.74Å; C112-C130 WeakPolarHBondContact CB-SG 3.37Å; C112-C130 WeakPolarHBondContact SG-CA 3.1Å; C112-C130 WeakPolarHBondContact SG-CB 3.41Å; C112-C130 CovalentContact SG-SG 2.03Å; C112-C130 PolarHBondContact SG-SG 2.88Å; I126-C130 HydrophobicContact CG2-CB 3.61Å; P127-C130 WeakPolarHBondContact O-CB 3.43Å; P127-C130 PolarHBondContact O-N 3.02Å; C130-N132 PolarHBondContact O-N 2.96Å
131	P	47.2	Very low	37.6	Very low	18 Å²	18	108.4 Å²	108.4	12%	0.117	58%	0.582	C	S	.	*			trans	-66.2	123.3	178.6	25.6	-33.9	0	0	0	111.3	R116 P259	R116-P131 PolarHBondContact NH2-O 3Å; P131-P259 HydrophobicContact CB-CB 3.42Å; P131-P259 VanDerWaalsContact CB-CB 3.42Å
132	N	42.2	Very low	36.7	Very low	115 Å²	115	113.9 Å²	113.9	62%	0.615	59%	0.588	S	S	*	*			trans	-104.3	66.9	-178.9	-88.7	5.3	0	0	0	112.3	C130	C130-N132 PolarHBondContact O-N 2.96Å
133	T	41.3	Very low	36.2	Very low	103 Å²	103	117.3 Å²	117.3	63%	0.632	60%	0.598	S	S	*	*			trans	-162.1	148.1	161.5	21	0	0	0	0	113.2	R116 Q135	R116-T133 PolarHBondContact NH2-O 3.25Å; T133-Q135 VanDerWaalsContact C-N 3.29Å; T133-Q135 PolarHBondContact O-N 3.08Å
134	V	35.8	Very low	35.4	Very low	149 Å²	149	119.3 Å²	119.3	90%	0.903	61%	0.611	S	S	*	*	S	Bend	trans	-91.5	42.9	-172.5	-169.4	0	0	0	0	111.2
135	Q	34.5	Very low	34.9	Very low	149 Å²	149	120.3 Å²	120.3	70%	0.696	61%	0.606	S	S	*	*			trans	-136.5	89.4	174	-75	-167.4	-7.8	0	0	110.6	T133 Q137	T133-Q135 VanDerWaalsContact C-N 3.29Å; T133-Q135 PolarHBondContact O-N 3.08Å; Q135-Q137 PolarHBondContact O-N 3.16Å
136	I	28.7	Very low	34	Very low	141 Å²	141	121.4 Å²	121.4	72%	0.723	61%	0.608	S	S	*	*			trans	-74.1	84.6	155	-56.7	174.3	0	0	0	105.6	T138	I136-T138 HydrophobicContact CG2-CG2 4.24Å; I136-T138 PolarHBondContact O-N 3.41Å
137	Q	27.1	Very low	33.2	Very low	145 Å²	145	125.1 Å²	125.1	68%	0.678	63%	0.628	S	S	*	*			trans	-75.6	104.4	160.3	-76	-167.4	10.2	0	0	107	Q135 S139	Q135-Q137 PolarHBondContact O-N 3.16Å; Q137-S139 PolarHBondContact O-N 3.45Å
138	T	29.7	Very low	32.6	Very low	119 Å²	119	129.7 Å²	129.7	73%	0.73	65%	0.65	S	S	*	*			trans	-65.8	74.8	162.6	39.1	0	0	0	0	109	I136 Q140	I136-T138 HydrophobicContact CG2-CG2 4.24Å; I136-T138 PolarHBondContact O-N 3.41Å; T138-Q140 PolarHBondContact O-N 3.18Å
139	S	28.7	Very low	31.6	Very low	98 Å²	98	132.1 Å²	132.1	69%	0.685	66%	0.656	S	S	*	*			trans	-74.3	70.5	177	53.3	0	0	0	0	110.7	Q137 K141	Q137-S139 PolarHBondContact O-N 3.45Å; S139-K141 VanDerWaalsContact C-N 3.33Å; S139-K141 PolarHBondContact O-N 2.91Å
140	Q	27.1	Very low	31	Very low	178 Å²	178	141.2 Å²	141.2	83%	0.832	69%	0.685	S	S	*	*			trans	-51.1	96.8	158	-69	179.2	-23.8	0	0	108.9	T138	T138-Q140 PolarHBondContact O-N 3.18Å
141	K	26.3	Very low	30.1	Very low	189 Å²	189	150.5 Å²	150.5	82%	0.822	73%	0.728	S	S	*	*			trans	-167	118.3	166.7	-109.4	146.8	-167.9	176.6	0	112.9	S139	S139-K141 VanDerWaalsContact C-N 3.33Å; S139-K141 PolarHBondContact O-N 2.91Å
142	R	24.9	Very low	29.3	Very low	213 Å²	213	155.9 Å²	155.9	80%	0.804	76%	0.761	S	S	*	*			trans	69.6	127.2	169.7	-56.8	176.1	172.9	-176.1	-5	113.4
143	W	26.1	Very low	28.5	Very low	197 Å²	197	157 Å²	157	75%	0.746	77%	0.772	S	S	*	*			cis	-130.9	113.8	30.5	-60.1	81.3	0	0	0	112.5	Y145	W143-Y145 HydrophobicContact CE3-CD2 4.28Å; W143-Y145 AromaticContact CE3-CE2 3.61Å; W143-Y145 HydrophobicContact CE3-CE2 3.61Å; W143-Y145 HydrophobicContact CZ3-CE2 4.01Å
144	I	23.9	Very low	27.9	Very low	143 Å²	143	160.4 Å²	160.4	73%	0.733	79%	0.786	S	S	*	*			trans	-96.6	112.6	156.3	-60.8	173.3	0	0	0	105.4	E146	I144-E146 HydrophobicContact CG2-CB 4.29Å; I144-E146 HydrophobicContact CG2-CG 3.88Å
145	Y	28.1	Very low	27.5	Very low	203 Å²	203	157.6 Å²	157.6	80%	0.796	77%	0.772	S	S	*	*			trans	-100.9	101.3	156.9	-90.7	-77.7	0	0	0	106.3	W143	W143-Y145 HydrophobicContact CE3-CD2 4.28Å; W143-Y145 AromaticContact CE3-CE2 3.61Å; W143-Y145 HydrophobicContact CE3-CE2 3.61Å; W143-Y145 HydrophobicContact CZ3-CE2 4.01Å
146	E	25	Very low	27.1	Very low	153 Å²	153	156.5 Å²	156.5	72%	0.715	78%	0.778	S	S	*	*			trans	-78.7	162.6	174.1	-108.7	171.9	173.1	0	0	111.4	I144	I144-E146 HydrophobicContact CG2-CB 4.29Å; I144-E146 HydrophobicContact CG2-CG 3.88Å
147	N	28.3	Very low	26.9	Very low	132 Å²	132	157.3 Å²	157.3	71%	0.706	78%	0.782	S	S	*	*			trans	72.7	102.6	171.3	-53.1	-21.6	0	0	0	114.4
148	N	30	Very low	26.8	Very low	143 Å²	143	161 Å²	161	77%	0.765	79%	0.79	S	S	*	*	S	Bend		-149.3	123.7	53.8	-74.9	-38.2	0	0	0	114.5
149	N	25.6	Very low	26.6	Very low	140 Å²	140	160.1 Å²	160.1	75%	0.749	79%	0.789	S	S	*	*			trans	46.2	74.6	144.7	-59.7	-5.7	0	0	0	119.7
150	Y	28.4	Very low	26.4	Very low	233 Å²	233	161.4 Å²	161.4	91%	0.914	79%	0.793	S	S	*	*			trans	-138.9	117.6	137.1	-76.7	-73	0	0	0	110.1	T152	Y150-T152 PolarHBondContact O-N 2.84Å
151	Q	23.6	Very low	26.4	Very low	200 Å²	200	157.1 Å²	157.1	94%	0.935	78%	0.779	S	S	*	*			trans	-73.2	119.6	175.3	-71.1	172.4	-31.1	0	0	110.1
152	T	29.3	Very low	26.3	Very low	131 Å²	131	156.7 Å²	156.7	80%	0.804	78%	0.779	S	S	*	*			trans	-135.9	115.9	151.4	24.6	0	0	0	0	109.1	Y150 L154	Y150-T152 PolarHBondContact O-N 2.84Å; T152-L154 PolarHBondContact O-N 3.14Å
153	T	26.3	Very low	26.4	Very low	139 Å²	139	156 Å²	156	85%	0.853	78%	0.778	S	S	*	*			trans	-63.6	111.4	-179.5	16.3	0	0	0	0	110.8	S155	T153-S155 PolarHBondContact O-N 2.87Å
154	L	29.5	Very low	26.4	Very low	174 Å²	174	153.6 Å²	153.6	91%	0.911	78%	0.78	S	S	*	*			trans	-75.3	86.3	170.4	-90.2	154.6	0	0	0	110.1	T152	T152-L154 PolarHBondContact O-N 3.14Å
155	S	26.4	Very low	26.5	Very low	89 Å²	89	152 Å²	152	62%	0.622	78%	0.777	S	S	*	*			trans	-60.3	137.2	164.7	-57.4	0	0	0	0	110	T153 I157	T153-S155 PolarHBondContact O-N 2.87Å; S155-I157 PolarHBondContact O-N 3.31Å
156	P	25.7	Very low	26.3	Very low	126 Å²	126	152.2 Å²	152.2	82%	0.818	78%	0.778	S	S	*	*			trans	-69.8	104.8	179.5	28.1	-33.5	0	0	0	109.9	R158	P156-R158 VanDerWaalsContact C-N 3.31Å; P156-R158 PolarHBondContact O-N 2.89Å
157	I	25.8	Very low	26.4	Very low	159 Å²	159	153.5 Å²	153.5	82%	0.815	78%	0.784	S	S	*	*			trans	-68	95.4	169.3	-59	178.5	0	0	0	107.4	S155 S159	S155-I157 PolarHBondContact O-N 3.31Å; I157-S159 PolarHBondContact O-N 2.95Å
158	R	24.1	Very low	26.3	Very low	222 Å²	222	154.4 Å²	154.4	84%	0.838	79%	0.789	S	S	*	*			trans	-55.6	104	159.2	-83.5	-180	165.4	178.4	-4.1	107.3	P156 T160	P156-R158 VanDerWaalsContact C-N 3.31Å; P156-R158 PolarHBondContact O-N 2.89Å; R158-T160 HydrophobicContact CB-CG2 4.48Å; R158-T160 PolarHBondContact O-N 3.23Å
159	S	26.3	Very low	26.1	Very low	100 Å²	100	159.2 Å²	159.2	70%	0.699	80%	0.796	S	S	*	*			trans	-73.2	75.2	172.9	56.1	0	0	0	0	110	I157 T161	I157-S159 PolarHBondContact O-N 2.95Å; S159-T161 PolarHBondContact O-N 3.21Å
160	T	24.6	Very low	26.1	Very low	126 Å²	126	160.1 Å²	160.1	77%	0.773	80%	0.795	S	S	*	*			trans	-75	63.4	167.8	51.1	0	0	0	0	110.1	R158	R158-T160 HydrophobicContact CB-CG2 4.48Å; R158-T160 PolarHBondContact O-N 3.23Å
161	T	27.3	Very low	26	Very low	88 Å²	88	155.7 Å²	155.7	54%	0.54	79%	0.788	S	S	.	*			trans	-112.2	86	165.9	42.1	0	0	0	0	108	S159 Y163	S159-T161 PolarHBondContact O-N 3.21Å; T161-Y163 VanDerWaalsContact C-N 3.31Å; T161-Y163 PolarHBondContact O-N 3.04Å
162	H	24.1	Very low	26.2	Very low	179 Å²	179	151.4 Å²	151.4	83%	0.829	78%	0.78	S	S	*	*			trans	-61.6	97.1	160.8	-81.4	-3.1	0	0	0	108.3	N164	H162-N164 VanDerWaalsContact C-N 3.25Å; H162-N164 PolarHBondContact O-N 3.18Å
163	Y	26	Very low	26	Very low	198 Å²	198	154.6 Å²	154.6	78%	0.776	78%	0.782	S	S	*	*			trans	-70.3	91.3	161.1	-74.5	-80.9	0	0	0	107.4	T161 T165	T161-Y163 VanDerWaalsContact C-N 3.31Å; T161-Y163 PolarHBondContact O-N 3.04Å; Y163-T165 PolarHBondContact O-N 2.94Å
164	N	25.6	Very low	26	Very low	147 Å²	147	158.5 Å²	158.5	79%	0.786	78%	0.782	S	S	*	*			trans	-58.1	103.8	170.9	-81.9	-5.5	0	0	0	108.7	H162	H162-N164 VanDerWaalsContact C-N 3.25Å; H162-N164 PolarHBondContact O-N 3.18Å
165	T	26.6	Very low	25.8	Very low	111 Å²	111	161.2 Å²	161.2	68%	0.681	78%	0.781	S	S	*	*			trans	-63.4	158.8	160.7	40.7	0	0	0	0	109.6	Y163	Y163-T165 PolarHBondContact O-N 2.94Å
166	Y	24.8	Very low	25.9	Very low	206 Å²	206	162.1 Å²	162.1	81%	0.808	78%	0.783	S	S	*	*			trans	81.1	145.7	179.2	-56.3	-84.5	0	0	0	116.9
167	H	25.8	Very low	25.9	Very low	181 Å²	181	167.3 Å²	167.3	84%	0.838	79%	0.786	S	S	*	*			trans	69.6	63	179.5	-56.2	-74.1	0	0	0	118.3
168	N	27.1	Very low	26	Very low	151 Å²	151	167.5 Å²	167.5	81%	0.807	78%	0.778	S	S	*	*				-148.9	91.4	125.6	-122	-36.7	0	0	0	113.1	H170	N168-H170 PolarHBondContact O-N 2.9Å; N168-H170 VanDerWaalsContact O-N 3.17Å
169	R	24.7	Very low	26.1	Very low	244 Å²	244	161.8 Å²	161.8	92%	0.921	77%	0.769	S	S	*	*			trans	-73.4	95.3	164.6	-96.1	-173.4	171.8	-176.3	-0.2	108.1
170	H	27.3	Very low	26.2	Very low	158 Å²	158	164.8 Å²	164.8	73%	0.731	78%	0.778	S	S	*	*			trans	-141.8	104.8	157.2	-94	-69.9	0	0	0	111.5	N168	N168-H170 PolarHBondContact O-N 2.9Å; N168-H170 VanDerWaalsContact O-N 3.17Å
171	N	26	Very low	26.4	Very low	141 Å²	141	165.5 Å²	165.5	75%	0.754	77%	0.767	S	S	*	*			trans	41.6	109.7	161.6	-62.9	-17.9	0	0	0	117.3	K173	N171-K173 PolarHBondContact O-N 3.25Å
172	S	26.2	Very low	26.2	Very low	110 Å²	110	168.3 Å²	168.3	77%	0.769	78%	0.776	S	S	*	*			trans	-46.4	114.3	159.7	48.5	0	0	0	0	109.9	R174	S172-R174 PolarHBondContact O-N 2.03Å
173	K	26.5	Very low	26.4	Very low	198 Å²	198	164.6 Å²	164.6	86%	0.861	77%	0.766	S	S	*	*			trans	-68.2	85.2	173	-74.4	-177	177.9	176.5	0	108.2	N171 Y175	N171-K173 PolarHBondContact O-N 3.25Å; K173-Y175 PolarHBondContact O-N 2.98Å
174	R	26.7	Very low	26.3	Very low	221 Å²	221	164.7 Å²	164.7	83%	0.834	77%	0.766	S	S	*	*			trans	-44.6	135.7	159.9	-74.2	179.5	170.5	177.9	-2.7	107.5	S172 T176	S172-R174 PolarHBondContact O-N 2.03Å; R174-T176 PolarHBondContact O-N 3.31Å
175	Y	25	Very low	26.4	Very low	231 Å²	231	164.5 Å²	164.5	91%	0.906	76%	0.764	S	S	*	*			trans	-24.3	108.1	174	-73.1	-89.1	0	0	0	112.4	K173 R177	K173-Y175 PolarHBondContact O-N 2.98Å; Y175-R177 VanDerWaalsContact C-N 3.33Å; Y175-R177 PolarHBondContact O-N 3.18Å
176	T	27.7	Very low	26.2	Very low	107 Å²	107	163.5 Å²	163.5	66%	0.656	76%	0.762	S	S	*	*			trans	-65.4	95.1	-179.1	-36.5	0	0	0	0	108.2	R174 Y178	R174-T176 PolarHBondContact O-N 3.31Å; T176-Y178 PolarHBondContact O-N 2.86Å
177	R	26.2	Very low	26.3	Very low	235 Å²	235	158.7 Å²	158.7	89%	0.887	76%	0.756	S	S	*	*			trans	-57.2	111.9	164	-78.1	-174.6	175.8	-177.6	-0.8	106	Y175 P179	Y175-R177 VanDerWaalsContact C-N 3.33Å; Y175-R177 PolarHBondContact O-N 3.18Å; R177-P179 WeakPolarHBondContact O-CD 3.04Å
178	Y	27.6	Very low	26.3	Very low	163 Å²	163	161.5 Å²	161.5	64%	0.639	76%	0.759	S	S	*	*			trans	-52.1	113.1	179.7	-75.5	-87.7	0	0	0	109.9	T176 N180	T176-Y178 PolarHBondContact O-N 2.86Å; Y178-N180 PolarHBondContact O-N 3.42Å
179	P	26	Very low	26.3	Very low	102 Å²	102	158.7 Å²	158.7	66%	0.662	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	135.3	167.1	-11.4	26.8	0	0	0	107	R177	R177-P179 WeakPolarHBondContact O-CD 3.04Å
180	N	29.5	Very low	26.4	Very low	164 Å²	164	155.7 Å²	155.7	88%	0.877	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	76.4	10.1	176.6	-46.5	-28.7	0	0	0	117.7	Y178 M182	Y178-N180 PolarHBondContact O-N 3.42Å; N180-M182 VanDerWaalsContact C-N 3.35Å; N180-M182 PolarHBondContact O-N 2.98Å
181	Y	28.4	Very low	26.4	Very low	141 Å²	141	155.2 Å²	155.2	55%	0.553	75%	0.747	S	S	*	*			trans	-85.3	81.4	159.2	-129.8	-79.5	0	0	0	110.2	T183 R334	Y181-T183 VanDerWaalsContact C-N 3.33Å; Y181-T183 PolarHBondContact O-N 2.89Å; Y181-R334 PolarHBondContact OH-NH1 2.07Å; Y181-R334 PolarHBondContact OH-NH2 3.5Å
182	M	23.6	Very low	26.5	Very low	147 Å²	147	152.8 Å²	152.8	72%	0.724	74%	0.741	S	S	*	*			trans	-67.9	93.7	171.2	-131.5	-174.4	176.2	0	0	109	N180 Y184	N180-M182 VanDerWaalsContact C-N 3.35Å; N180-M182 PolarHBondContact O-N 2.98Å; M182-Y184 VanDerWaalsContact C-N 3.33Å; M182-Y184 PolarHBondContact O-N 2.93Å; M182-Y184 HydrophobicContact SD-CE2 3.85Å
183	T	27.8	Very low	26.5	Very low	100 Å²	100	156.3 Å²	156.3	61%	0.613	75%	0.745	S	S	*	*			trans	-66.8	92.6	167.6	43	0	0	0	0	108.8	Y181 I185	Y181-T183 VanDerWaalsContact C-N 3.33Å; Y181-T183 PolarHBondContact O-N 2.89Å; T183-I185 PolarHBondContact O-N 2.65Å
184	Y	24.2	Very low	26.5	Very low	200 Å²	200	152.7 Å²	152.7	78%	0.784	74%	0.735	S	S	*	*			trans	-68.4	67	158.1	-83.2	-84.4	0	0	0	109.6	M182 S186	M182-Y184 VanDerWaalsContact C-N 3.33Å; M182-Y184 PolarHBondContact O-N 2.93Å; M182-Y184 HydrophobicContact SD-CE2 3.85Å; Y184-S186 VanDerWaalsContact C-N 3.32Å; Y184-S186 PolarHBondContact O-N 2.87Å
185	I	26.6	Very low	26.7	Very low	143 Å²	143	151.7 Å²	151.7	73%	0.733	73%	0.732	S	S	*	*			trans	-79.1	94.3	155.3	-62.6	166.8	0	0	0	103.8	T183 P187	T183-I185 PolarHBondContact O-N 2.65Å; I185-P187 VanDerWaalsContact O-CD 3.23Å; I185-P187 WeakPolarHBondContact O-CD 3.37Å
186	S	23.3	Very low	26.8	Very low	91 Å²	91	151.2 Å²	151.2	64%	0.636	73%	0.73	S	S	*	*			trans	-63.1	118.3	179.9	177.5	0	0	0	0	109.6	Y184 R188	Y184-S186 VanDerWaalsContact C-N 3.32Å; Y184-S186 PolarHBondContact O-N 2.87Å; S186-R188 PolarHBondContact O-N 3.49Å
187	P	26.3	Very low	26.9	Very low	105 Å²	105	149.2 Å²	149.2	68%	0.682	73%	0.731	S	S	*	*			trans	-76.7	106.2	164.5	31.2	-27.3	0	0	0	107.2	I185 S189	I185-P187 VanDerWaalsContact O-CD 3.23Å; I185-P187 WeakPolarHBondContact O-CD 3.37Å; P187-S189 PolarHBondContact O-N 2.9Å
188	R	25.1	Very low	27	Very low	239 Å²	239	148 Å²	148	90%	0.902	73%	0.728	S	S	*	*			trans	-71.9	71.7	157.2	-94.1	-174.2	167.4	-173.3	-3.8	109	S186	S186-R188 PolarHBondContact O-N 3.49Å
189	S	28.6	Very low	27.1	Very low	92 Å²	92	145.7 Å²	145.7	64%	0.643	73%	0.726	S	S	*	*			trans	-75.5	104.8	150.6	43.9	0	0	0	0	106.7	P187	P187-S189 PolarHBondContact O-N 2.9Å
190	F	25.3	Very low	27.4	Very low	181 Å²	181	147.9 Å²	147.9	79%	0.794	73%	0.727	S	S	*	*				74.3	115.5	90.6	-96.7	-98.4	0	0	0	112.7
191	L	28.2	Very low	27.5	Very low	148 Å²	148	148.3 Å²	148.3	78%	0.775	72%	0.718	S	S	*	*			trans	68.4	109.5	160.7	-54.5	165.9	0	0	0	114.7
192	S	26.9	Very low	27.6	Very low	90 Å²	90	147.6 Å²	147.6	63%	0.629	72%	0.724	S	S	*	*				87.6	126.9	72.6	-72.8	0	0	0	0	112.1
193	E	27.8	Very low	27.9	Very low	184 Å²	184	147.1 Å²	147.1	86%	0.86	72%	0.724	S	S	*	*			trans	64	148.8	163.3	-70.2	148	141.2	0	0	117.4
194	D	26.7	Very low	28.2	Very low	122 Å²	122	147.1 Å²	147.1	65%	0.652	73%	0.726	S	S	*	*			cis	-160.5	161	-27.9	-159.1	16.2	0	0	0	107.8
195	R	29.6	Very low	28.6	Very low	201 Å²	201	145.2 Å²	145.2	76%	0.758	73%	0.727	S	S	*	*			trans	67.6	114.1	157.4	-62.5	163.5	-169.5	-137.8	-3.9	124.1
196	Y	27	Very low	28.8	Very low	220 Å²	220	145.5 Å²	145.5	86%	0.863	73%	0.731	S	S	*	*				59.5	140.2	124.2	-72.6	-83	0	0	0	125.6
197	G	30	Very low	28.9	Very low	66 Å²	66	151.7 Å²	151.7	68%	0.68	74%	0.74	S	S	*	*			trans	135.4	86.1	162.5	0	0	0	0	0	112.5
198	Y	28	Very low	29.3	Very low	210 Å²	210	153.9 Å²	153.9	82%	0.824	75%	0.746	S	S	*	*				43.7	132.4	90.1	-88	-100.6	0	0	0	115
199	D	30.8	Very low	29.5	Very low	114 Å²	114	153 Å²	153	61%	0.61	74%	0.743	S	S	*	*			cis	-174.5	-174.4	-13.1	-159.1	2.2	0	0	0	109.5
200	H	32.6	Very low	29.4	Very low	147 Å²	147	159.2 Å²	159.2	68%	0.681	75%	0.754	S	S	*	*			trans	74.2	147.3	160.7	-70.1	30.6	0	0	0	119.2
201	Y	29.9	Very low	29.7	Very low	174 Å²	174	156 Å²	156	68%	0.682	75%	0.751	S	S	*	*			cis	-169.5	145	-28.3	-128	-77.1	0	0	0	109.7
202	N	30.7	Very low	29.7	Very low	126 Å²	126	160.2 Å²	160.2	67%	0.674	76%	0.756	S	S	*	*			trans	57.8	155.9	160.2	-73.3	-13	0	0	0	120.6
203	N	30.4	Very low	29.6	Very low	136 Å²	136	165.1 Å²	165.1	73%	0.727	77%	0.769	S	S	*	*			cis	-150.4	167.5	2.2	-123.2	-15.4	0	0	0	111
204	P	34.6	Very low	29.8	Very low	101 Å²	101	164 Å²	164	66%	0.656	77%	0.768	S	S	*	*			trans	-99.8	-164	-175.6	41.1	-36	0	0	0	114.1
205	I	31.5	Very low	29.8	Very low	159 Å²	159	164.9 Å²	164.9	82%	0.815	77%	0.772	S	S	*	*			trans	99.4	128.7	-175.9	-56.1	155.1	0	0	0	110
206	N	31.2	Very low	29.6	Very low	150 Å²	150	162.9 Å²	162.9	80%	0.802	77%	0.773	S	S	*	*			cis	-143.9	170.4	31.6	-148.9	-15.3	0	0	0	114.8
207	R	26.8	Very low	29.7	Very low	220 Å²	220	160 Å²	160	83%	0.83	77%	0.773	S	S	*	*			trans	-107.3	139.1	174.7	-62.2	172.2	175.5	171	-0.2	111.2
208	N	34.3	Very low	29.6	Very low	151 Å²	151	162.6 Å²	162.6	81%	0.807	78%	0.776	S	S	*	*			trans	-174	117.5	147.2	-89.6	-30.3	0	0	0	108
209	R	29.2	Very low	29.6	Very low	221 Å²	221	159.7 Å²	159.7	83%	0.834	78%	0.775	S	S	*	*				78.6	81.9	72.2	-85.3	-168.8	171.4	172.6	-1.5	115.9
210	Y	25.9	Very low	29.5	Very low	222 Å²	222	161.4 Å²	161.4	87%	0.871	78%	0.783	S	S	*	*			trans	60.4	179.6	141.5	-63.4	-71.6	0	0	0	118.2
211	P	30.9	Very low	29.2	Very low	113 Å²	113	163.6 Å²	163.6	73%	0.734	79%	0.791	S	S	*	*				-133.6	160.1	-90.1	38.3	-19.5	0	0	0	114.5
212	R	29.2	Very low	29.3	Very low	237 Å²	237	164.1 Å²	164.1	89%	0.894	80%	0.799	S	S	*	*			trans	-139.9	124.1	161.4	-79	-166.5	174.6	170.6	-1.4	113.6
213	Q	25.3	Very low	29.2	Very low	193 Å²	193	163.7 Å²	163.7	90%	0.902	81%	0.806	S	S	*	*			trans	-74.8	147.2	149.7	-64.8	166.9	-37.9	0	0	108
214	I	30.9	Very low	29.2	Very low	161 Å²	161	162 Å²	162	83%	0.826	80%	0.803	S	S	*	*			trans	-132.4	133.3	156.1	-64.1	-176	0	0	0	106.8
215	N	26.8	Very low	28.9	Very low	140 Å²	140	164.3 Å²	164.3	75%	0.749	81%	0.809	S	S	*	*			trans	-101.7	174.2	-177.9	-159.4	7.4	0	0	0	110.2
216	M	25.9	Very low	28.8	Very low	159 Å²	159	165.4 Å²	165.4	78%	0.783	81%	0.811	S	S	*	*			trans	-59.8	159	-172.2	-44.7	-166	-142.6	0	0	114.8
217	N	28.3	Very low	28.5	Very low	161 Å²	161	167.3 Å²	167.3	86%	0.861	81%	0.808	S	S	*	*				-161	154.9	114.5	-98.9	-5.5	0	0	0	113.6
218	T	27.5	Very low	28.5	Very low	120 Å²	120	165.6 Å²	165.6	74%	0.736	80%	0.803	S	S	*	*			trans	-70.2	151.8	170.1	44	0	0	0	0	112.7
219	D	29.4	Very low	28.2	Very low	149 Å²	149	164 Å²	164	80%	0.797	80%	0.799	S	S	*	*			trans	176.9	148.8	151.5	-84.4	-22.9	0	0	0	106.6
220	L	28.9	Very low	28.3	Very low	150 Å²	150	160.2 Å²	160.2	79%	0.785	80%	0.8	S	S	*	*			cis	-152.7	172.1	-8.5	-147.9	76.8	0	0	0	108.7
221	F	25.6	Very low	28.3	Very low	192 Å²	192	156.9 Å²	156.9	84%	0.842	80%	0.798	S	S	*	*			trans	-81.8	174.8	177.4	-89.4	-110.4	0	0	0	114.2
222	H	31.5	Very low	28	Very low	185 Å²	185	156.8 Å²	156.8	86%	0.856	80%	0.799	S	S	*	*			trans	97.2	140.8	175.3	-50.4	-22.5	0	0	0	114.5
223	S	29.1	Very low	28	Very low	117 Å²	117	155.3 Å²	155.3	82%	0.818	80%	0.8	S	S	*	*			cis	-150	164.8	11	-154.8	0	0	0	0	111
224	P	30.6	Very low	28	Very low	101 Å²	101	158.2 Å²	158.2	66%	0.656	80%	0.802	S	S	*	*			trans	-106.3	167	-169.2	39.6	-33.3	0	0	0	116.9
225	N	27.3	Very low	27.8	Very low	149 Å²	149	156.2 Å²	156.2	80%	0.797	80%	0.803	S	S	*	*			trans	80.1	149.4	156.4	-66.7	-17.8	0	0	0	121.8
226	Q	30.1	Very low	27.8	Very low	183 Å²	183	156.8 Å²	156.8	86%	0.855	80%	0.804	S	S	*	*			trans	93.4	138.1	168.1	-54.8	176.9	7.2	0	0	116.7
227	Y	24.1	Very low	27.6	Very low	189 Å²	189	157.2 Å²	157.2	74%	0.741	80%	0.804	S	S	*	*			cis	176.3	152.7	-33.3	-126.3	-73.7	0	0	0	105.1
228	Y	27.3	Very low	27.5	Very low	184 Å²	184	159.6 Å²	159.6	72%	0.722	80%	0.803	S	S	*	*			trans	67.5	99.8	168.7	-66.3	-67.1	0	0	0	118.5
229	T	27.6	Very low	27.3	Very low	118 Å²	118	158.3 Å²	158.3	72%	0.724	80%	0.798	S	S	*	*				77.7	123.6	86.2	56.5	0	0	0	0	116.7
230	V	31.4	Very low	27.3	Very low	141 Å²	141	156.9 Å²	156.9	86%	0.855	79%	0.791	S	S	*	*				-179.4	142.5	107.4	154.3	0	0	0	0	109.1
231	D	25.7	Very low	27.3	Very low	153 Å²	153	158.7 Å²	158.7	82%	0.818	80%	0.795	S	S	*	*			trans	-80.8	174.2	-168.2	-89.7	-64.3	0	0	0	116.8
232	S	25	Very low	27.5	Very low	110 Å²	110	158 Å²	158	77%	0.769	79%	0.794	S	S	*	*			trans	91.7	92.1	159.3	78.7	0	0	0	0	118.9
233	K	29.5	Very low	27.4	Very low	207 Å²	207	155.4 Å²	155.4	90%	0.9	79%	0.786	S	S	*	*			trans	-156.7	103.4	141.8	-112.1	159.2	-170.2	172.6	0	112.5
234	R	24.7	Very low	27.5	Very low	254 Å²	254	157.5 Å²	157.5	96%	0.958	79%	0.788	S	S	*	*			trans	11.9	113.2	158.3	-69	175.5	169.8	173	-4.1	117.5
235	S	27.2	Very low	27.4	Very low	119 Å²	119	161.5 Å²	161.5	83%	0.832	80%	0.795	S	S	*	*			trans	-122.7	131.7	152.6	54.3	0	0	0	0	110.7	E237	S235-E237 PolarHBondContact O-N 3.46Å
236	I	27.1	Very low	27.5	Very low	152 Å²	152	163.5 Å²	163.5	78%	0.779	80%	0.796	S	S	*	*			trans	-58.3	124.8	-165.9	-67.4	153.9	0	0	0	112.8	Y238	I236-Y238 HydrophobicContact CG2-CD2 4.19Å; I236-Y238 HydrophobicContact CG2-CE2 4.21Å; I236-Y238 PolarHBondContact O-N 3.36Å
237	E	22	Very low	27.3	Very low	168 Å²	168	163.2 Å²	163.2	79%	0.785	80%	0.797	S	S	*	*			trans	-64	126.9	167.7	-68.7	178.7	113.1	0	0	111	S235	S235-E237 PolarHBondContact O-N 3.46Å
238	Y	25.1	Very low	27.4	Very low	211 Å²	211	162.9 Å²	162.9	83%	0.827	80%	0.802	S	S	*	*			trans	-105	79.3	162.2	-102.3	-86	0	0	0	110.1	I236 N240	I236-Y238 HydrophobicContact CG2-CD2 4.19Å; I236-Y238 HydrophobicContact CG2-CE2 4.21Å; I236-Y238 PolarHBondContact O-N 3.36Å; Y238-N240 PolarHBondContact O-N 3.44Å; Y238-N240 VanDerWaalsContact O-N 3.13Å
239	S	24	Very low	27.3	Very low	92 Å²	92	159.9 Å²	159.9	64%	0.643	80%	0.798	S	S	*	*			trans	-64.6	103.9	176	-56.9	0	0	0	0	111.3
240	N	29.1	Very low	27.2	Very low	119 Å²	119	160.3 Å²	160.3	64%	0.636	80%	0.802	S	S	*	*			trans	-150.8	25	170.5	-110.2	-42.2	0	0	0	114.6	Y238 Q242	Y238-N240 PolarHBondContact O-N 3.44Å; Y238-N240 VanDerWaalsContact O-N 3.13Å; N240-Q242 VanDerWaalsContact C-N 3.35Å; N240-Q242 PolarHBondContact O-N 3.2Å
241	H	30.1	Very low	27	Very low	189 Å²	189	162.2 Å²	162.2	88%	0.875	80%	0.8	S	S	*	*			trans	-82	-0.3	-176.4	-107.3	-55.1	0	0	0	115.8
242	Q	29.1	Very low	27.1	Very low	178 Å²	178	160.8 Å²	160.8	83%	0.832	80%	0.796	S	S	*	*	S	Bend	trans	-102.9	-15.2	-170.9	-69.4	-172.8	-10.4	0	0	116.1	N240	N240-Q242 VanDerWaalsContact C-N 3.35Å; N240-Q242 PolarHBondContact O-N 3.2Å
243	N	30	Very low	27.3	Very low	129 Å²	129	161.3 Å²	161.3	69%	0.69	80%	0.797	S	S	*	*	G	3₁₀ helix	trans	-92.3	-6.2	-173.2	-78.1	-40.9	0	0	0	116.2	K245	N243-K245 VanDerWaalsContact C-N 3.3Å; N243-K245 PolarHBondContact O-N 3.23Å
244	L	29.9	Very low	27.2	Very low	162 Å²	162	157.5 Å²	157.5	85%	0.848	79%	0.792	S	S	*	*	G	3₁₀ helix	trans	-77.7	-7.4	177.7	-98.4	136.6	0	0	0	114.6	K246	L244-K246 VanDerWaalsContact C-N 3.31Å; L244-K246 PolarHBondContact O-N 2.97Å
245	K	29.5	Very low	27.6	Very low	185 Å²	185	151.8 Å²	151.8	80%	0.804	78%	0.776	S	S	*	*	G	3₁₀ helix	trans	-82.7	11.3	-178.7	-77.4	-170.4	173	-175.6	0	115.4	N243	N243-K245 VanDerWaalsContact C-N 3.3Å; N243-K245 PolarHBondContact O-N 3.23Å
246	K	28.3	Very low	27.8	Very low	191 Å²	191	158.1 Å²	158.1	83%	0.83	78%	0.782	S	S	*	*	G	3₁₀ helix	trans	-124.2	10.7	-170.9	-78.3	-170.8	175.1	-179.3	0	117.6	L244	L244-K246 VanDerWaalsContact C-N 3.31Å; L244-K246 PolarHBondContact O-N 2.97Å
247	M	25.9	Very low	28.5	Very low	176 Å²	176	156.5 Å²	156.5	87%	0.867	77%	0.769	S	S	*	*			trans	-105.9	69.9	166.5	-79.3	-166.9	176.6	0	0	112.2	L249	M247-L249 PolarHBondContact O-N 2.93Å
248	H	26.2	Very low	29.4	Very low	182 Å²	182	154.8 Å²	154.8	84%	0.843	77%	0.765	S	S	*	*			trans	-77.6	95.3	160.3	-89.7	-89.3	0	0	0	109.2
249	L	26	Very low	30.7	Very low	122 Å²	122	147.6 Å²	147.6	64%	0.639	74%	0.743	S	S	*	*			trans	-87.9	123.1	156.3	-83	95.8	0	0	0	108.6	M247 F251	M247-L249 PolarHBondContact O-N 2.93Å; L249-F251 HydrophobicContact CB-CD2 4.43Å; L249-F251 HydrophobicContact CB-CE2 4.29Å; L249-F251 PolarHBondContact O-N 2.88Å
250	P	25.3	Very low	32.2	Very low	126 Å²	126	144.7 Å²	144.7	82%	0.818	72%	0.72	S	S	*	*			trans	-76.2	106.3	179.5	29.9	-32.9	0	0	0	110.7
251	F	28	Very low	33.6	Very low	181 Å²	181	142.8 Å²	142.8	79%	0.794	71%	0.709	S	S	*	*			trans	-93.9	116.9	169.4	-87	-91.4	0	0	0	110.5	L249 P253	L249-F251 HydrophobicContact CB-CD2 4.43Å; L249-F251 HydrophobicContact CB-CE2 4.29Å; L249-F251 PolarHBondContact O-N 2.88Å; F251-P253 WeakPolarHBondContact O-CD 3.34Å
252	T	27.3	Very low	35	Very low	123 Å²	123	139.4 Å²	139.4	76%	0.755	69%	0.694	S	S	*	*			trans	-83.6	115.8	175.2	40.5	0	0	0	0	111	T254	T252-T254 PolarHBondContact O-N 3.21Å; T252-T254 VanDerWaalsContact O-N 3.14Å
253	P	28.8	Very low	36.3	Very low	121 Å²	121	136.5 Å²	136.5	79%	0.786	68%	0.68	S	S	*	*			trans	-91.4	75.1	-169.8	36	-35	0	0	0	112.3	F251	F251-P253 WeakPolarHBondContact O-CD 3.34Å
254	T	27.4	Very low	37.5	Very low	128 Å²	128	132.4 Å²	132.4	79%	0.785	66%	0.659	S	S	*	*			trans	-127.3	43	178.9	47.8	0	0	0	0	114.3	T252	T252-T254 PolarHBondContact O-N 3.21Å; T252-T254 VanDerWaalsContact O-N 3.14Å
255	Q	32.7	Very low	38.9	Very low	134 Å²	134	124.7 Å²	124.7	63%	0.626	62%	0.618	S	S	*	*	S	Bend	trans	-128.1	135.6	159.7	-62.9	-162.8	10.7	0	0	110.7	K257	Q255-K257 PolarHBondContact O-N 3.41Å; Q255-K257 VanDerWaalsContact O-N 3.14Å
256	R	33	Very low	40.2	Very low	252 Å²	252	120.8 Å²	120.8	95%	0.951	61%	0.606	S	S	*	*			trans	-67.8	108.2	-170.7	-68.8	175.9	176.4	168.7	-2.2	110.6
257	K	41.8	Very low	41.3	Very low	117 Å²	117	117 Å²	117	51%	0.509	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-63.9	128.6	170.8	-55.9	-178.3	-178.5	-175.2	0	109.6	S128 Q255	S128-K257 WeakPolarHBondContact O-CE 3.47Å; S128-K257 PolarHBondContact O-NZ 2.92Å; Q255-K257 PolarHBondContact O-N 3.41Å; Q255-K257 VanDerWaalsContact O-N 3.14Å
258	L	40.8	Very low	42.6	Very low	133 Å²	133	108.9 Å²	108.9	70%	0.696	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-73.3	128.3	155	-95.9	78.2	0	0	0	107	L260	L258-L260 PolarHBondContact O-N 2.81Å
259	P	52.4	Low	43.4	Very low	59 Å²	59	101 Å²	101	38%	0.383	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-69.2	124.5	172.3	28.1	-31.3	0	0	0	109.1	P131 I261	P131-P259 HydrophobicContact CB-CB 3.42Å; P131-P259 VanDerWaalsContact CB-CB 3.42Å; P259-I261 PolarHBondContact O-N 3.05Å
260	L	54.4	Low	44.1	Very low	31 Å²	31	96 Å²	96	16%	0.162	49%	0.494	C	S	.	.	P	Polyproline II helix	trans	-61.7	126.5	168	-153.3	82.4	0	0	0	108.2	I99 L108 L109 L258 D264	I99-L260 HydrophobicContact CD1-CD1 4.37Å; I99-L260 HydrophobicContact CD1-CD2 3.88Å; L108-L260 HydrophobicContact CD2-CD2 4.34Å; L109-L260 HydrophobicContact CD2-CB 4.3Å; L109-L260 HydrophobicContact CD2-CD2 4.37Å; L109-L260 WeakPolarHBondContact CD2-O 3.36Å; L258-L260 PolarHBondContact O-N 2.81Å; L260-D264 WeakPolarHBondContact CA-OD2 3.43Å; L260-D264 HydrophobicContact CD1-CB 4.43Å; L260-D264 HydrophobicContact CG-CB 4.47Å
261	I	59.5	Low	44.8	Very low	79 Å²	79	91.2 Å²	91.2	41%	0.405	47%	0.467	S	S	.	.			trans	-111.5	166.5	178.6	58.9	174.1	0	0	0	111.6	P259 E263 D264 C265	P259-I261 PolarHBondContact O-N 3.05Å; I261-E263 WeakPolarHBondContact CB-OE2 3.34Å; I261-E263 HydrophobicContact CD1-CB 4.05Å; I261-E263 HydrophobicContact CD1-CG 4.46Å; I261-E263 WeakPolarHBondContact CD1-OE2 3.04Å; I261-E263 HydrophobicContact CG1-CB 4.17Å; I261-E263 WeakPolarHBondContact CG1-OE2 3.29Å; I261-E263 PolarHBondContact O-N 2.91Å; I261-D264 HydrophobicContact CG1-CB 4.47Å; I261-D264 WeakPolarHBondContact CG1-OD2 3.46Å; I261-D264 PolarHBondContact N-OD2 3.44Å; I261-D264 WeakPolarHBondContact O-CB 3.44Å; I261-D264 PolarHBondContact O-N 3.44Å; I261-D264 VanDerWaalsContact O-N 3.12Å; I261-C265 PolarHBondContact O-N 3.18Å
262	E	58.4	Low	45.4	Very low	119 Å²	119	83.5 Å²	83.5	56%	0.556	44%	0.439	S	S	*	.	H	α-helix	trans	-63.6	-35.7	-176.1	-173.2	169.9	176.7	0	0	111.2	L106 L109 D264 C265 L266	L106-E262 HydrophobicContact CD2-CG 3.91Å; L109-E262 HydrophobicContact CD1-CB 4.16Å; E262-D264 VanDerWaalsContact C-N 3.29Å; E262-D264 PolarHBondContact O-N 3.1Å; E262-C265 CarbonylContact O-C 3.56Å; E262-C265 WeakPolarHBondContact O-CA 3.23Å; E262-C265 WeakPolarHBondContact O-CB 3.01Å; E262-C265 PolarHBondContact O-N 3.36Å; E262-L266 WeakPolarHBondContact O-CG 3.4Å; E262-L266 PolarHBondContact O-N 3.32Å
263	E	57.6	Low	46.3	Very low	116 Å²	116	80.3 Å²	80.3	54%	0.542	42%	0.421	S	S	.	.	H	α-helix	trans	-57.2	-38.4	173.4	-61.9	80.5	177.3	0	0	112.3	I261 C265 L266 L267	I261-E263 WeakPolarHBondContact CB-OE2 3.34Å; I261-E263 HydrophobicContact CD1-CB 4.05Å; I261-E263 HydrophobicContact CD1-CG 4.46Å; I261-E263 WeakPolarHBondContact CD1-OE2 3.04Å; I261-E263 HydrophobicContact CG1-CB 4.17Å; I261-E263 WeakPolarHBondContact CG1-OE2 3.29Å; I261-E263 PolarHBondContact O-N 2.91Å; E263-C265 VanDerWaalsContact C-N 3.31Å; E263-C265 PolarHBondContact O-N 3.07Å; E263-L266 PolarHBondContact O-N 3.23Å; E263-L267 PolarHBondContact O-N 2.06Å; E263-L267 VanDerWaalsContact O-N 3.16Å
264	D	54.9	Low	46.9	Very low	43 Å²	43	80.4 Å²	80.4	23%	0.23	42%	0.415	C	S	.	.	H	α-helix	trans	-64.9	-37.5	175.6	-57.8	-30.9	0	0	0	111.1	L260 I261 E262 L266 L267	L260-D264 WeakPolarHBondContact CA-OD2 3.43Å; L260-D264 HydrophobicContact CD1-CB 4.43Å; L260-D264 HydrophobicContact CG-CB 4.47Å; I261-D264 HydrophobicContact CG1-CB 4.47Å; I261-D264 WeakPolarHBondContact CG1-OD2 3.46Å; I261-D264 PolarHBondContact N-OD2 3.44Å; I261-D264 WeakPolarHBondContact O-CB 3.44Å; I261-D264 PolarHBondContact O-N 3.44Å; I261-D264 VanDerWaalsContact O-N 3.12Å; E262-D264 VanDerWaalsContact C-N 3.29Å; E262-D264 PolarHBondContact O-N 3.1Å; D264-L266 VanDerWaalsContact C-N 3.35Å; D264-L267 PolarHBondContact O-N 3.06Å
265	C	59.1	Low	47.5	Very low	0 Å²	0	77.6 Å²	77.6	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-71.6	-30.1	175.3	-60.9	0	0	0	0	112.5	Q102 C105 L106 L109 I261 E262 E263 L267 L268	Q102-C265 WeakPolarHBondContact CG-O 3.39Å; Q102-C265 PolarHBondContact NE2-O 3.1Å; C105-C265 HydrophobicContact CB-CB 3.63Å; C105-C265 WeakPolarHBondContact CB-SG 3.1Å; C105-C265 WeakPolarHBondContact SG-CA 3.47Å; C105-C265 WeakPolarHBondContact SG-CB 3.19Å; C105-C265 CovalentContact SG-SG 2.03Å; C105-C265 PolarHBondContact SG-SG 3.3Å; L106-C265 HydrophobicContact CD2-CB 3.62Å; L106-C265 HydrophobicContact CG-CB 3.9Å; L109-C265 HydrophobicContact CD1-CB 4.48Å; L109-C265 WeakPolarHBondContact CD1-SG 3.49Å; I261-C265 PolarHBondContact O-N 3.18Å; E262-C265 CarbonylContact O-C 3.56Å; E262-C265 WeakPolarHBondContact O-CA 3.23Å; E262-C265 WeakPolarHBondContact O-CB 3.01Å; E262-C265 PolarHBondContact O-N 3.36Å; E263-C265 VanDerWaalsContact C-N 3.31Å; E263-C265 PolarHBondContact O-N 3.07Å; C265-L267 VanDerWaalsContact C-N 3.29Å; C265-L268 WeakPolarHBondContact O-CB 3.17Å; C265-L268 PolarHBondContact O-N 3.24Å
266	L	56	Low	47.9	Very low	104 Å²	104	72.2 Å²	72.2	55%	0.545	37%	0.369	S	S	.	.	H	α-helix	trans	-71.6	-23	175	-67.1	175.8	0	0	0	112.9	E262 E263 D264 L268	E262-L266 WeakPolarHBondContact O-CG 3.4Å; E262-L266 PolarHBondContact O-N 3.32Å; E263-L266 PolarHBondContact O-N 3.23Å; D264-L266 VanDerWaalsContact C-N 3.35Å; L266-L268 VanDerWaalsContact C-N 3.27Å
267	L	52.3	Low	48.2	Very low	112 Å²	112	63.5 Å²	63.5	59%	0.586	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-16.6	169.8	-66.9	172.1	0	0	0	113.5	E263 D264 C265 F342	E263-L267 PolarHBondContact O-N 2.06Å; E263-L267 VanDerWaalsContact O-N 3.16Å; D264-L267 PolarHBondContact O-N 3.06Å; C265-L267 VanDerWaalsContact C-N 3.29Å; L267-F342 HydrophobicContact CB-CE1 4.47Å; L267-F342 HydrophobicContact CD1-CE1 4.27Å
268	L	52.1	Low	47.9	Very low	5 Å²	5	61.2 Å²	61.2	3%	0.026	33%	0.333	C	S	.	.	S	Bend	trans	-80.2	148.1	175.8	-61.3	-178.8	0	0	0	111.3	I99 Q102 C105 C265 L266 F342 F348	I99-L268 HydrophobicContact CG2-CD1 4.43Å; Q102-L268 HydrophobicContact CB-CB 3.96Å; Q102-L268 PolarHBondContact NE2-O 3.15Å; C105-L268 HydrophobicContact CB-CD1 3.57Å; C265-L268 WeakPolarHBondContact O-CB 3.17Å; C265-L268 PolarHBondContact O-N 3.24Å; L266-L268 VanDerWaalsContact C-N 3.27Å; L268-F342 HydrophobicContact CD2-CE2 4.08Å; L268-F342 HydrophobicContact CD2-CZ 3.95Å; L268-F342 HydrophobicContact CG-CZ 4.48Å; L268-F348 HydrophobicContact CD2-CD2 4.33Å; L268-F348 HydrophobicContact CD2-CE2 3.77Å
269	P	44.3	Very low	47.8	Very low	15 Å²	15	59 Å²	59	10%	0.097	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-54.8	131.6	176	18.1	-31	0	0	0	112.5	Q102 W276	Q102-P269 VanDerWaalsContact CB-O 3.22Å; Q102-P269 WeakPolarHBondContact CB-O 3.33Å; P269-W276 HydrophobicContact CB-CD2 3.64Å; P269-W276 HydrophobicContact CB-CE3 3.25Å; P269-W276 HydrophobicContact CB-CG 4.44Å; P269-W276 HydrophobicContact CB-CH2 3.75Å; P269-W276 HydrophobicContact CB-CZ2 4.1Å; P269-W276 HydrophobicContact CB-CZ3 3.33Å; P269-W276 HydrophobicContact CG-CE3 4.49Å
270	P	40.3	Very low	47.1	Very low	19 Å²	19	60.2 Å²	60.2	12%	0.123	34%	0.336	C	S	.	.	S	Bend	trans	-63.6	149.4	172.8	27.8	-39	0	0	0	112.4	W276 Q284	P270-W276 HydrophobicContact CG-CZ3 4.13Å; P270-Q284 HydrophobicContact CG-CB 4.24Å; P270-Q284 HydrophobicContact CG-CG 4Å
271	G	38.9	Very low	46.3	Very low	24 Å²	24	60.9 Å²	60.9	25%	0.247	34%	0.342	C	S	.	.	S	Bend	trans	91.5	164.5	-173.9	0	0	0	0	0	112.9
272	G	41.3	Very low	45.5	Very low	20 Å²	20	57.1 Å²	57.1	21%	0.206	32%	0.323	C	S	.	.			trans	-64.7	160.8	171.5	0	0	0	0	0	111.9	D274 N275 W276	G272-D274 PolarHBondContact O-N 3.34Å; G272-N275 WeakPolarHBondContact O-CA 3.25Å; G272-N275 WeakPolarHBondContact O-CB 3.41Å; G272-N275 PolarHBondContact O-N 3.3Å; G272-W276 PolarHBondContact O-N 3.43Å
273	C	46.9	Very low	44.5	Very low	55 Å²	55	57.1 Å²	57.1	37%	0.372	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-35	-178.2	-64.7	0	0	0	0	113.1	P100 C101	P100-C273 WeakPolarHBondContact CB-SG 3.38Å; P100-C273 WeakPolarHBondContact CG-SG 3.38Å; P100-C273 PolarHBondContact O-SG 3.34Å; C101-C273 HydrophobicContact CB-CB 4.13Å; C101-C273 WeakPolarHBondContact CB-SG 3.45Å; C101-C273 PolarHBondContact N-SG 3.34Å; C101-C273 VanDerWaalsContact N-SG 3.44Å; C101-C273 WeakPolarHBondContact SG-CB 3.04Å; C101-C273 PolarHBondContact SG-N 3.36Å; C101-C273 CovalentContact SG-SG 2.06Å; C101-C273 PolarHBondContact SG-SG 3.45Å
274	D	41.5	Very low	43.6	Very low	123 Å²	123	56.1 Å²	56.1	66%	0.658	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-21.1	177.3	-53.4	-64.7	0	0	0	112.7	G272	G272-D274 PolarHBondContact O-N 3.34Å
275	N	39.7	Very low	42.7	Very low	69 Å²	69	57.2 Å²	57.2	37%	0.369	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-15.9	-168.3	-69.6	15.3	0	0	0	113.3	G272 M277 D278 T281	G272-N275 WeakPolarHBondContact O-CA 3.25Å; G272-N275 WeakPolarHBondContact O-CB 3.41Å; G272-N275 PolarHBondContact O-N 3.3Å; N275-M277 PolarHBondContact O-N 3.49Å; N275-D278 WeakPolarHBondContact O-CA 3.46Å; N275-D278 WeakPolarHBondContact O-CB 3.31Å; N275-D278 PolarHBondContact O-N 2.99Å; N275-T281 HydrophobicContact CB-CG2 4.24Å; N275-T281 WeakPolarHBondContact CB-OG1 3.12Å; N275-T281 PolarHBondContact O-OG1 3.17Å
276	W	40.5	Very low	41.6	Very low	21 Å²	21	62.7 Å²	62.7	8%	0.08	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-30.6	177.8	-178.7	-112.2	0	0	0	113.8	P269 P270 G272 N282 R285 Y294	P269-W276 HydrophobicContact CB-CD2 3.64Å; P269-W276 HydrophobicContact CB-CE3 3.25Å; P269-W276 HydrophobicContact CB-CG 4.44Å; P269-W276 HydrophobicContact CB-CH2 3.75Å; P269-W276 HydrophobicContact CB-CZ2 4.1Å; P269-W276 HydrophobicContact CB-CZ3 3.33Å; P269-W276 HydrophobicContact CG-CE3 4.49Å; P270-W276 HydrophobicContact CG-CZ3 4.13Å; G272-W276 PolarHBondContact O-N 3.43Å; W276-N282 WeakPolarHBondContact CZ3-ND2 3.16Å; W276-N282 WeakPolarHBondContact CZ3-OD1 3.21Å; W276-N282 PolarHBondContact O-ND2 3.38Å; W276-R285 PolarHBondContact O-NH1 2.76Å; W276-Y294 AromaticContact CH2-CE2 3.88Å; W276-Y294 HydrophobicContact CH2-CE2 3.88Å; W276-Y294 AromaticContact CH2-CZ 3.97Å; W276-Y294 VanDerWaalsContact CH2-OH 3.29Å; W276-Y294 WeakPolarHBondContact CH2-OH 3.32Å; W276-Y294 HydrophobicContact CZ2-CE2 4.18Å; W276-Y294 AromaticContact CZ2-CZ 3.97Å; W276-Y294 VanDerWaalsContact CZ2-OH 3.29Å; W276-Y294 WeakPolarHBondContact CZ2-OH 3.22Å
277	M	38.8	Very low	40.8	Very low	69 Å²	69	66 Å²	66	34%	0.34	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-8.9	176.6	-73.4	-69.6	162.4	0	0	114.2	N275 P279 I387	N275-M277 PolarHBondContact O-N 3.49Å; M277-P279 WeakPolarHBondContact O-CD 3.42Å; M277-I387 WeakPolarHBondContact CE-O 3.05Å
278	D	36.9	Very low	40	Very low	70 Å²	70	61.3 Å²	61.3	37%	0.374	34%	0.338	S	S	.	.			trans	-89.6	112.1	175.5	-170.4	-24.8	0	0	0	110.1	N275 S280 T281 N282	N275-D278 WeakPolarHBondContact O-CA 3.46Å; N275-D278 WeakPolarHBondContact O-CB 3.31Å; N275-D278 PolarHBondContact O-N 2.99Å; D278-S280 PolarHBondContact O-N 3.02Å; D278-S280 VanDerWaalsContact O-N 3.12Å; D278-S280 VanDerWaalsContact OD1-CB 3.3Å; D278-S280 WeakPolarHBondContact OD1-CB 3.2Å; D278-S280 PolarHBondContact OD1-N 3.17Å; D278-S280 PolarHBondContact OD1-OG 3.35Å; D278-S280 PolarHBondContact OD2-OG 3.32Å; D278-T281 HydrophobicContact CB-CG2 4.32Å; D278-T281 PolarHBondContact O-N 2.03Å; D278-T281 PolarHBondContact O-OG1 3.03Å; D278-N282 PolarHBondContact O-N 3.3Å
279	P	37.9	Very low	39.4	Very low	87 Å²	87	66.2 Å²	66.2	57%	0.565	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.4	179.4	-22.1	33.9	0	0	0	113.7	M277	M277-P279 WeakPolarHBondContact O-CD 3.42Å
280	S	38.4	Very low	39.5	Very low	83 Å²	83	68.8 Å²	68.8	58%	0.58	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-30.1	-177.1	70.5	0	0	0	0	113.4	D278	D278-S280 PolarHBondContact O-N 3.02Å; D278-S280 VanDerWaalsContact O-N 3.12Å; D278-S280 VanDerWaalsContact OD1-CB 3.3Å; D278-S280 WeakPolarHBondContact OD1-CB 3.2Å; D278-S280 PolarHBondContact OD1-N 3.17Å; D278-S280 PolarHBondContact OD1-OG 3.35Å; D278-S280 PolarHBondContact OD2-OG 3.32Å
281	T	37.9	Very low	39.5	Very low	45 Å²	45	71 Å²	71	28%	0.276	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-17.6	-178.9	70	0	0	0	0	112.8	N275 D278 L283	N275-T281 HydrophobicContact CB-CG2 4.24Å; N275-T281 WeakPolarHBondContact CB-OG1 3.12Å; N275-T281 PolarHBondContact O-OG1 3.17Å; D278-T281 HydrophobicContact CB-CG2 4.32Å; D278-T281 PolarHBondContact O-N 2.03Å; D278-T281 PolarHBondContact O-OG1 3.03Å; T281-L283 VanDerWaalsContact C-N 3.27Å; T281-L283 PolarHBondContact O-N 3.29Å
282	N	42.6	Very low	39.9	Very low	0 Å²	0	79.1 Å²	79.1	0%	0	41%	0.413	C	S	.	.			trans	-88.6	65.3	-171.9	-152.6	-28.8	0	0	0	110.6	W276 D278 Q284 R285 L286	W276-N282 WeakPolarHBondContact CZ3-ND2 3.16Å; W276-N282 WeakPolarHBondContact CZ3-OD1 3.21Å; W276-N282 PolarHBondContact O-ND2 3.38Å; D278-N282 PolarHBondContact O-N 3.3Å; N282-Q284 PolarHBondContact O-N 3.48Å; N282-R285 HydrophobicContact CB-CB 3.86Å; N282-R285 WeakPolarHBondContact O-CA 3.28Å; N282-R285 VanDerWaalsContact O-CB 3.26Å; N282-R285 WeakPolarHBondContact O-CB 2.92Å; N282-R285 PolarHBondContact O-N 3.17Å; N282-L286 PolarHBondContact O-N 2.9Å
283	L	36.5	Very low	40.1	Very low	120 Å²	120	81.3 Å²	81.3	63%	0.628	42%	0.417	S	S	*	.	H	α-helix	trans	-57.2	-22.8	-174.4	-110	130.3	0	0	0	114.5	T281 K287	T281-L283 VanDerWaalsContact C-N 3.27Å; T281-L283 PolarHBondContact O-N 3.29Å; L283-K287 PolarHBondContact O-N 2.93Å
284	Q	39	Very low	39.8	Very low	95 Å²	95	80.8 Å²	80.8	44%	0.444	41%	0.408	S	S	.	.	H	α-helix	trans	-78.5	-34.8	171	-70	-176.5	-0.8	0	0	112.5	P270 N282 L286 K287 A288	P270-Q284 HydrophobicContact CG-CB 4.24Å; P270-Q284 HydrophobicContact CG-CG 4Å; N282-Q284 PolarHBondContact O-N 3.48Å; Q284-L286 VanDerWaalsContact C-N 3.28Å; Q284-L286 PolarHBondContact O-N 3.07Å; Q284-K287 PolarHBondContact O-N 2.74Å; Q284-K287 VanDerWaalsContact O-N 3.12Å; Q284-A288 PolarHBondContact O-N 2.83Å; Q284-A288 VanDerWaalsContact O-N 3.12Å
285	R	35.2	Very low	39.9	Very low	65 Å²	65	76.3 Å²	76.3	25%	0.245	38%	0.384	C	S	.	.	H	α-helix	trans	-68.1	-28.3	172.1	-150.1	174.8	-176.2	176	-2.4	111.7	W276 N282 D385	W276-R285 PolarHBondContact O-NH1 2.76Å; N282-R285 HydrophobicContact CB-CB 3.86Å; N282-R285 WeakPolarHBondContact O-CA 3.28Å; N282-R285 VanDerWaalsContact O-CB 3.26Å; N282-R285 WeakPolarHBondContact O-CB 2.92Å; N282-R285 PolarHBondContact O-N 3.17Å; R285-D385 IonicContact CZ-OD1 2.69Å; R285-D385 IonicContact NH2-OD1 2.56Å; R285-D385 PolarHBondContact NH2-OD1 2.7Å
286	L	36.3	Very low	39.9	Very low	116 Å²	116	80.3 Å²	80.3	61%	0.607	40%	0.398	S	S	*	.	H	α-helix	trans	-73.5	-25	169.2	-70.4	170	0	0	0	113.5	N282 Q284	N282-L286 PolarHBondContact O-N 2.9Å; Q284-L286 VanDerWaalsContact C-N 3.28Å; Q284-L286 PolarHBondContact O-N 3.07Å
287	K	38.8	Very low	40	Very low	174 Å²	174	85.1 Å²	85.1	76%	0.757	43%	0.425	S	S	*	.	H	α-helix	trans	-84.9	-18.7	174.7	-78.9	-172.3	176.6	-173.4	0	114.2	L283 Q284 P289	L283-K287 PolarHBondContact O-N 2.93Å; Q284-K287 PolarHBondContact O-N 2.74Å; Q284-K287 VanDerWaalsContact O-N 3.12Å; K287-P289 WeakPolarHBondContact O-CD 3.44Å
288	A	37.1	Very low	40.2	Very low	13 Å²	13	84.6 Å²	84.6	11%	0.107	42%	0.423	C	S	.	.			trans	-102.6	88.7	176.5	0	0	0	0	0	110.2	Q284 N290 E293	Q284-A288 PolarHBondContact O-N 2.83Å; Q284-A288 VanDerWaalsContact O-N 3.12Å; A288-N290 PolarHBondContact O-N 2.79Å; A288-E293 HydrophobicContact CB-CB 4.19Å
289	P	38.8	Very low	40.6	Very low	108 Å²	108	89.4 Å²	89.4	70%	0.701	45%	0.448	S	S	*	.			trans	-56.6	-12.3	-178.1	20.1	-35.5	0	0	0	115.8	K287 E293	K287-P289 WeakPolarHBondContact O-CD 3.44Å; P289-E293 WeakPolarHBondContact CD-OE2 3.14Å; P289-E293 VanDerWaalsContact CG-OE2 3.29Å; P289-E293 WeakPolarHBondContact CG-OE2 3.37Å
290	N	45.7	Very low	41.1	Very low	68 Å²	68	87.5 Å²	87.5	36%	0.364	44%	0.444	S	S	.	.	S	Bend	trans	-148.5	158.7	175.7	64.4	72.4	0	0	0	113.9	A288 R292 E293 Y294	A288-N290 PolarHBondContact O-N 2.79Å; N290-R292 PolarHBondContact O-N 2.86Å; N290-R292 VanDerWaalsContact O-N 3.17Å; N290-R292 WeakPolarHBondContact OD1-CA 3.29Å; N290-R292 VanDerWaalsContact OD1-CB 3.3Å; N290-R292 WeakPolarHBondContact OD1-CB 3.29Å; N290-R292 PolarHBondContact OD1-N 3.28Å; N290-E293 PolarHBondContact ND2-OE1 3.2Å; N290-E293 PolarHBondContact O-N 3.39Å; N290-E293 VanDerWaalsContact O-N 3.07Å; N290-E293 PolarHBondContact OD1-N 3.12Å; N290-Y294 PolarHBondContact O-N 2.89Å
291	Y	41.7	Very low	42.1	Very low	65 Å²	65	84.8 Å²	84.8	26%	0.255	43%	0.425	S	S	.	.	H	α-helix	trans	-54.1	-30.9	177.2	174.8	-108.2	0	0	0	114.4	Y294 L295 I305 P306	Y291-Y294 PolarHBondContact O-N 3.43Å; Y291-L295 HydrophobicContact CD1-CD1 4.04Å; Y291-L295 HydrophobicContact CE1-CD1 3.49Å; Y291-L295 VanDerWaalsContact CE1-CD1 3.49Å; Y291-L295 HydrophobicContact CE1-CG 4.31Å; Y291-L295 HydrophobicContact CE2-CD1 4.38Å; Y291-L295 HydrophobicContact CE2-CG 4.37Å; Y291-L295 WeakPolarHBondContact O-CG 3.22Å; Y291-L295 PolarHBondContact O-N 2.77Å; Y291-L295 VanDerWaalsContact O-N 3.09Å; Y291-I305 VanDerWaalsContact OH-CG2 3.31Å; Y291-I305 WeakPolarHBondContact OH-CG2 3.3Å; Y291-P306 HydrophobicContact CE1-CB 4.12Å; Y291-P306 HydrophobicContact CE1-CG 4.01Å
292	R	46.2	Very low	43.4	Very low	196 Å²	196	84.8 Å²	84.8	74%	0.74	43%	0.426	S	S	*	.	H	α-helix	trans	-69.5	-34	178.4	-66.5	177.7	166.6	-179.3	-4.8	111.8	N290 L295 K296	N290-R292 PolarHBondContact O-N 2.86Å; N290-R292 VanDerWaalsContact O-N 3.17Å; N290-R292 WeakPolarHBondContact OD1-CA 3.29Å; N290-R292 VanDerWaalsContact OD1-CB 3.3Å; N290-R292 WeakPolarHBondContact OD1-CB 3.29Å; N290-R292 PolarHBondContact OD1-N 3.28Å; R292-L295 PolarHBondContact O-N 3.17Å; R292-K296 WeakPolarHBondContact O-CG 3.29Å; R292-K296 PolarHBondContact O-N 2.93Å
293	E	45.7	Very low	44.6	Very low	65 Å²	65	94.9 Å²	94.9	30%	0.304	47%	0.47	S	S	.	.	H	α-helix	trans	-74.1	-36.5	176.6	-76.8	161.6	-145.6	0	0	112.4	A288 P289 N290 L295 K296 L297	A288-E293 HydrophobicContact CB-CB 4.19Å; P289-E293 WeakPolarHBondContact CD-OE2 3.14Å; P289-E293 VanDerWaalsContact CG-OE2 3.29Å; P289-E293 WeakPolarHBondContact CG-OE2 3.37Å; N290-E293 PolarHBondContact ND2-OE1 3.2Å; N290-E293 PolarHBondContact O-N 3.39Å; N290-E293 VanDerWaalsContact O-N 3.07Å; N290-E293 PolarHBondContact OD1-N 3.12Å; E293-L295 VanDerWaalsContact C-N 3.29Å; E293-L295 PolarHBondContact O-N 2.94Å; E293-K296 HydrophobicContact CG-CD 4.46Å; E293-K296 WeakPolarHBondContact O-CB 3.48Å; E293-K296 PolarHBondContact O-N 2.97Å; E293-K296 VanDerWaalsContact O-N 3.17Å; E293-L297 PolarHBondContact O-N 2.88Å
294	Y	41.8	Very low	46.5	Very low	44 Å²	44	93.1 Å²	93.1	17%	0.173	46%	0.461	C	S	.	.	H	α-helix	trans	-61.3	-38.8	170.3	-170.8	-81.6	0	0	0	112.1	W276 N290 Y291 L297 N298 I384	W276-Y294 AromaticContact CH2-CE2 3.88Å; W276-Y294 HydrophobicContact CH2-CE2 3.88Å; W276-Y294 AromaticContact CH2-CZ 3.97Å; W276-Y294 VanDerWaalsContact CH2-OH 3.29Å; W276-Y294 WeakPolarHBondContact CH2-OH 3.32Å; W276-Y294 HydrophobicContact CZ2-CE2 4.18Å; W276-Y294 AromaticContact CZ2-CZ 3.97Å; W276-Y294 VanDerWaalsContact CZ2-OH 3.29Å; W276-Y294 WeakPolarHBondContact CZ2-OH 3.22Å; N290-Y294 PolarHBondContact O-N 2.89Å; Y291-Y294 PolarHBondContact O-N 3.43Å; Y294-L297 PolarHBondContact O-N 3Å; Y294-N298 WeakPolarHBondContact CE1-ND2 3.47Å; Y294-N298 PolarHBondContact O-ND2 3.47Å; Y294-I384 HydrophobicContact CD1-CD1 3.78Å; Y294-I384 HydrophobicContact CE1-CD1 3.16Å
295	L	42.4	Very low	48.2	Very low	30 Å²	30	88.6 Å²	88.6	16%	0.157	44%	0.44	C	S	.	.	H	α-helix	trans	-67.8	-34.8	173.2	-74.1	176.8	0	0	0	113.1	Y291 R292 E293 L297 N298 C301 I305 P306	Y291-L295 HydrophobicContact CD1-CD1 4.04Å; Y291-L295 HydrophobicContact CE1-CD1 3.49Å; Y291-L295 VanDerWaalsContact CE1-CD1 3.49Å; Y291-L295 HydrophobicContact CE1-CG 4.31Å; Y291-L295 HydrophobicContact CE2-CD1 4.38Å; Y291-L295 HydrophobicContact CE2-CG 4.37Å; Y291-L295 WeakPolarHBondContact O-CG 3.22Å; Y291-L295 PolarHBondContact O-N 2.77Å; Y291-L295 VanDerWaalsContact O-N 3.09Å; R292-L295 PolarHBondContact O-N 3.17Å; E293-L295 VanDerWaalsContact C-N 3.29Å; E293-L295 PolarHBondContact O-N 2.94Å; L295-L297 PolarHBondContact O-N 3.02Å; L295-N298 CarbonylContact O-C 3.57Å; L295-N298 PolarHBondContact O-N 2.81Å; L295-C301 HydrophobicContact CD2-CB 4.1Å; L295-I305 HydrophobicContact CD2-CD1 3.92Å; L295-P306 HydrophobicContact CD1-CG 4.34Å
296	K	40	Very low	50.2	Low	153 Å²	153	87.8 Å²	87.8	67%	0.665	44%	0.443	S	S	*	.	H	α-helix	trans	-60.2	-31.3	174.4	-75.5	175.2	-177.4	178	0	112.7	R292 E293 N298	R292-K296 WeakPolarHBondContact O-CG 3.29Å; R292-K296 PolarHBondContact O-N 2.93Å; E293-K296 HydrophobicContact CG-CD 4.46Å; E293-K296 WeakPolarHBondContact O-CB 3.48Å; E293-K296 PolarHBondContact O-N 2.97Å; E293-K296 VanDerWaalsContact O-N 3.17Å; K296-N298 VanDerWaalsContact C-N 3.28Å
297	L	41.5	Very low	52.4	Low	122 Å²	122	89.4 Å²	89.4	64%	0.639	45%	0.448	S	S	*	.	H	α-helix	trans	-72.8	-19.6	176	-66.4	167.7	0	0	0	113	E293 Y294 L295	E293-L297 PolarHBondContact O-N 2.88Å; Y294-L297 PolarHBondContact O-N 3Å; L295-L297 PolarHBondContact O-N 3.02Å
298	N	43.9	Very low	54.5	Low	58 Å²	58	82 Å²	82	31%	0.31	42%	0.417	S	S	.	.			trans	-107.9	78.7	177.2	-77.1	-82.8	0	0	0	110.8	Y294 L295 K296 G300 C301	Y294-N298 WeakPolarHBondContact CE1-ND2 3.47Å; Y294-N298 PolarHBondContact O-ND2 3.47Å; L295-N298 CarbonylContact O-C 3.57Å; L295-N298 PolarHBondContact O-N 2.81Å; K296-N298 VanDerWaalsContact C-N 3.28Å; N298-G300 PolarHBondContact O-N 3.14Å; N298-C301 WeakPolarHBondContact CB-SG 3.45Å; N298-C301 WeakPolarHBondContact O-CB 3.25Å; N298-C301 PolarHBondContact O-N 3.05Å; N298-C301 PolarHBondContact O-SG 3.07Å; N298-C301 VanDerWaalsContact O-SG 3.32Å
299	L	44.4	Very low	56.8	Low	170 Å²	170	81.8 Å²	81.8	89%	0.89	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-13.9	-176.1	-66.5	171	0	0	0	115.5	C301	L299-C301 VanDerWaalsContact C-N 3.33Å
300	G	50.3	Low	59.1	Low	47 Å²	47	81.9 Å²	81.9	49%	0.485	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-1.7	174	0	0	0	0	0	115.2	N298 Q380	N298-G300 PolarHBondContact O-N 3.14Å; G300-Q380 PolarHBondContact O-OE1 2.9Å
301	C	58.6	Low	61	Low	26 Å²	26	81.6 Å²	81.6	18%	0.176	41%	0.413	C	S	.	.			trans	-81.6	122.7	-176.4	-74.3	0	0	0	0	113	L295 N298 L299 I305 C381	L295-C301 HydrophobicContact CD2-CB 4.1Å; N298-C301 WeakPolarHBondContact CB-SG 3.45Å; N298-C301 WeakPolarHBondContact O-CB 3.25Å; N298-C301 PolarHBondContact O-N 3.05Å; N298-C301 PolarHBondContact O-SG 3.07Å; N298-C301 VanDerWaalsContact O-SG 3.32Å; L299-C301 VanDerWaalsContact C-N 3.33Å; C301-I305 HydrophobicContact CB-CD1 3.31Å; C301-C381 WeakPolarHBondContact CA-SG 3.45Å; C301-C381 HydrophobicContact CB-CB 4.13Å; C301-C381 WeakPolarHBondContact CB-SG 3.4Å; C301-C381 WeakPolarHBondContact SG-CB 3.37Å; C301-C381 CovalentContact SG-SG 2.03Å; C301-C381 PolarHBondContact SG-SG 3.45Å
302	P	65.9	Low	63.3	Low	46 Å²	46	78.5 Å²	78.5	30%	0.299	40%	0.401	S	S	.	.			trans	-68.1	149.7	173.4	29.4	-36.2	0	0	0	111.7	D304 I305	P302-D304 VanDerWaalsContact CB-OD1 3.31Å; P302-D304 WeakPolarHBondContact CB-OD1 3.14Å; P302-D304 PolarHBondContact O-N 3.3Å; P302-D304 VanDerWaalsContact O-N 3.14Å; P302-I305 HydrophobicContact CG-CD1 4.32Å; P302-I305 HydrophobicContact CG-CG1 4Å; P302-I305 WeakPolarHBondContact O-CD1 3.5Å; P302-I305 WeakPolarHBondContact O-CG1 3.45Å; P302-I305 PolarHBondContact O-N 3.21Å
303	K	67.7	Low	65.4	Low	212 Å²	212	69.5 Å²	69.5	92%	0.922	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.2	-168.5	-64.8	180	-179.3	175.6	0	114.1	P306	K303-P306 WeakPolarHBondContact O-CD 3.29Å
304	D	75.6	Confident	67.6	Low	82 Å²	82	67 Å²	67	44%	0.439	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	0.9	-176.5	67.1	-27.9	0	0	0	114.3	P302 P306 E307 T308	P302-D304 VanDerWaalsContact CB-OD1 3.31Å; P302-D304 WeakPolarHBondContact CB-OD1 3.14Å; P302-D304 PolarHBondContact O-N 3.3Å; P302-D304 VanDerWaalsContact O-N 3.14Å; D304-P306 VanDerWaalsContact C-N 3.33Å; D304-E307 PolarHBondContact O-N 2.77Å; D304-E307 VanDerWaalsContact O-N 3.13Å; D304-T308 PolarHBondContact O-N 3.41Å; D304-T308 PolarHBondContact O-OG1 3.08Å
305	I	75	Confident	69.8	Low	0 Å²	0	70.1 Å²	70.1	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-51.2	-43.2	174.7	-61.9	153.7	0	0	0	113	Y291 L295 C301 P302 E307 T308 C309 L379 C381	Y291-I305 VanDerWaalsContact OH-CG2 3.31Å; Y291-I305 WeakPolarHBondContact OH-CG2 3.3Å; L295-I305 HydrophobicContact CD2-CD1 3.92Å; C301-I305 HydrophobicContact CB-CD1 3.31Å; P302-I305 HydrophobicContact CG-CD1 4.32Å; P302-I305 HydrophobicContact CG-CG1 4Å; P302-I305 WeakPolarHBondContact O-CD1 3.5Å; P302-I305 WeakPolarHBondContact O-CG1 3.45Å; P302-I305 PolarHBondContact O-N 3.21Å; I305-E307 VanDerWaalsContact C-N 3.26Å; I305-E307 PolarHBondContact O-N 3.22Å; I305-T308 PolarHBondContact O-N 3.13Å; I305-C309 VanDerWaalsContact CG2-SG 3.54Å; I305-C309 VanDerWaalsContact O-CB 3.3Å; I305-C309 WeakPolarHBondContact O-CB 3.31Å; I305-C309 PolarHBondContact O-N 2.93Å; I305-C309 PolarHBondContact O-SG 3.09Å; I305-C309 VanDerWaalsContact O-SG 3.41Å; I305-L379 HydrophobicContact CG2-CD1 4.42Å; I305-C381 HydrophobicContact CD1-CB 3.54Å; I305-C381 HydrophobicContact CG1-CB 4.38Å
306	P	77.2	Confident	72	Confident	49 Å²	49	74 Å²	74	32%	0.318	40%	0.4	S	S	.	.	H	α-helix	trans	-59.6	-39.9	-178.9	-17.9	28.2	0	0	0	111.9	Y291 L295 K303 D304 N310	Y291-P306 HydrophobicContact CE1-CB 4.12Å; Y291-P306 HydrophobicContact CE1-CG 4.01Å; L295-P306 HydrophobicContact CD1-CG 4.34Å; K303-P306 WeakPolarHBondContact O-CD 3.29Å; D304-P306 VanDerWaalsContact C-N 3.33Å; P306-N310 WeakPolarHBondContact O-CB 3.12Å; P306-N310 VanDerWaalsContact O-CG 3.25Å; P306-N310 PolarHBondContact O-N 3.42Å; P306-N310 VanDerWaalsContact O-N 3.08Å; P306-N310 PolarHBondContact O-ND2 3.49Å
307	E	82.7	Confident	74.5	Confident	150 Å²	150	67 Å²	67	70%	0.701	37%	0.37	S	S	*	.	H	α-helix	trans	-69.9	-45	176.7	-174.8	173.7	179.4	0	0	111.3	D304 I305 C309 N310 S311	D304-E307 PolarHBondContact O-N 2.77Å; D304-E307 VanDerWaalsContact O-N 3.13Å; I305-E307 VanDerWaalsContact C-N 3.26Å; I305-E307 PolarHBondContact O-N 3.22Å; E307-C309 PolarHBondContact O-N 3.35Å; E307-N310 PolarHBondContact O-N 3.12Å; E307-S311 PolarHBondContact O-N 3.18Å
308	T	82.6	Confident	76.9	Confident	17 Å²	17	64 Å²	64	10%	0.104	36%	0.357	C	S	.	.	H	α-helix	trans	-65.4	-39.2	179	-52.4	0	0	0	0	111.8	D304 I305 S311 M312 L379 K410	D304-T308 PolarHBondContact O-N 3.41Å; D304-T308 PolarHBondContact O-OG1 3.08Å; I305-T308 PolarHBondContact O-N 3.13Å; T308-S311 WeakPolarHBondContact O-CB 3.04Å; T308-S311 PolarHBondContact O-N 2.04Å; T308-M312 HydrophobicContact CG2-CG 4.36Å; T308-M312 HydrophobicContact CG2-SD 4.15Å; T308-M312 WeakPolarHBondContact O-CB 3.36Å; T308-M312 WeakPolarHBondContact O-CG 3.47Å; T308-M312 PolarHBondContact O-N 3.12Å; T308-L379 HydrophobicContact CG2-CD1 4.37Å; T308-L379 HydrophobicContact CG2-CD2 3.69Å; T308-L379 HydrophobicContact CG2-CG 4.33Å; T308-K410 HydrophobicContact CG2-CB 3.87Å
309	C	84.4	Confident	79.1	Confident	10 Å²	10	67.8 Å²	67.8	7%	0.068	37%	0.367	C	S	.	.	H	α-helix	trans	-63.3	-40.8	172.6	-74.4	0	0	0	0	112.1	I305 E307 S311 M312 F313 C383	I305-C309 VanDerWaalsContact CG2-SG 3.54Å; I305-C309 VanDerWaalsContact O-CB 3.3Å; I305-C309 WeakPolarHBondContact O-CB 3.31Å; I305-C309 PolarHBondContact O-N 2.93Å; I305-C309 PolarHBondContact O-SG 3.09Å; I305-C309 VanDerWaalsContact O-SG 3.41Å; E307-C309 PolarHBondContact O-N 3.35Å; C309-S311 VanDerWaalsContact C-N 3.29Å; C309-S311 PolarHBondContact O-N 2.98Å; C309-M312 PolarHBondContact O-N 3.32Å; C309-F313 WeakPolarHBondContact O-CB 3.42Å; C309-F313 PolarHBondContact O-N 2.83Å; C309-C383 WeakPolarHBondContact CA-SG 3.3Å; C309-C383 HydrophobicContact CB-CB 3.82Å; C309-C383 WeakPolarHBondContact CB-SG 3.37Å; C309-C383 WeakPolarHBondContact SG-CA 3.03Å; C309-C383 WeakPolarHBondContact SG-CB 3.43Å; C309-C383 CovalentContact SG-SG 2.04Å; C309-C383 PolarHBondContact SG-SG 3.24Å
310	N	87.1	Confident	81.3	Confident	109 Å²	109	63.8 Å²	63.8	58%	0.583	35%	0.353	S	S	*	.	H	α-helix	trans	-65.6	-30.3	173.2	-76.6	-39.1	0	0	0	113	P306 E307 P314	P306-N310 WeakPolarHBondContact O-CB 3.12Å; P306-N310 VanDerWaalsContact O-CG 3.25Å; P306-N310 PolarHBondContact O-N 3.42Å; P306-N310 VanDerWaalsContact O-N 3.08Å; P306-N310 PolarHBondContact O-ND2 3.49Å; E307-N310 PolarHBondContact O-N 3.12Å; N310-P314 WeakPolarHBondContact O-CA 3.26Å
311	S	87.4	Confident	83.3	Confident	63 Å²	63	66.6 Å²	66.6	44%	0.441	35%	0.351	S	S	.	.	H	α-helix	trans	-70.6	-46.9	173.2	-170.5	0	0	0	0	111.8	E307 T308 C309 P314	E307-S311 PolarHBondContact O-N 3.18Å; T308-S311 WeakPolarHBondContact O-CB 3.04Å; T308-S311 PolarHBondContact O-N 2.04Å; C309-S311 VanDerWaalsContact C-N 3.29Å; C309-S311 PolarHBondContact O-N 2.98Å; S311-P314 WeakPolarHBondContact O-CD 3.44Å
312	M	89.2	Confident	84.6	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-72.2	-34.1	179.8	-67.7	-179.7	71.5	0	0	112.9	T308 C309 P314 W377 P378 L379 K410 T412 V413 F414	T308-M312 HydrophobicContact CG2-CG 4.36Å; T308-M312 HydrophobicContact CG2-SD 4.15Å; T308-M312 WeakPolarHBondContact O-CB 3.36Å; T308-M312 WeakPolarHBondContact O-CG 3.47Å; T308-M312 PolarHBondContact O-N 3.12Å; C309-M312 PolarHBondContact O-N 3.32Å; M312-P314 VanDerWaalsContact O-CD 3.32Å; M312-P314 WeakPolarHBondContact O-CD 3.35Å; M312-W377 HydrophobicContact CE-CH2 4.18Å; M312-W377 HydrophobicContact CE-CZ2 3.72Å; M312-P378 HydrophobicContact CE-CG 3.51Å; M312-P378 HydrophobicContact SD-CG 3.66Å; M312-L379 HydrophobicContact SD-CD1 4.06Å; M312-L379 HydrophobicContact SD-CG 4.41Å; M312-K410 WeakPolarHBondContact CG-O 3.34Å; M312-T412 WeakPolarHBondContact CA-O 3.26Å; M312-T412 WeakPolarHBondContact CG-O 3.41Å; M312-V413 CarbonylContact O-C 3.47Å; M312-V413 WeakPolarHBondContact O-CA 3.49Å; M312-F414 HydrophobicContact CE-CD2 4.31Å; M312-F414 HydrophobicContact CE-CE2 3.75Å; M312-F414 PolarHBondContact O-N 3.45Å
313	F	90.6	Very high	85.6	Confident	6 Å²	6	69.2 Å²	69.2	3%	0.026	36%	0.358	C	S	.	.	S	Bend	trans	-121.9	62.9	-179.1	-62.6	-91.3	0	0	0	112	C309 T315 W377 C383 E386 I387 Y393 F414	C309-F313 WeakPolarHBondContact O-CB 3.42Å; C309-F313 PolarHBondContact O-N 2.83Å; F313-T315 PolarHBondContact O-N 3.48Å; F313-W377 HydrophobicContact CE2-CH2 4.36Å; F313-W377 AromaticContact CE2-CZ2 3.92Å; F313-W377 HydrophobicContact CE2-CZ2 3.92Å; F313-W377 AromaticContact CZ-CH2 3.91Å; F313-W377 HydrophobicContact CZ-CH2 3.91Å; F313-W377 AromaticContact CZ-CZ2 3.89Å; F313-W377 HydrophobicContact CZ-CZ2 3.89Å; F313-C383 HydrophobicContact CD2-CB 3.98Å; F313-C383 HydrophobicContact CE2-CB 3.78Å; F313-E386 HydrophobicContact CB-CB 3.98Å; F313-E386 HydrophobicContact CB-CG 3.63Å; F313-E386 HydrophobicContact CD1-CB 3.63Å; F313-E386 HydrophobicContact CD1-CG 4.24Å; F313-E386 HydrophobicContact CD2-CB 3.81Å; F313-E386 HydrophobicContact CD2-CG 4.2Å; F313-E386 HydrophobicContact CE1-CB 3.98Å; F313-E386 HydrophobicContact CE2-CB 4.17Å; F313-E386 HydrophobicContact CG-CB 3.53Å; F313-E386 HydrophobicContact CG-CG 3.78Å; F313-E386 HydrophobicContact CZ-CB 4.25Å; F313-I387 HydrophobicContact CE1-CG1 4.25Å; F313-I387 HydrophobicContact CE2-CG1 4.38Å; F313-I387 HydrophobicContact CZ-CD1 4.23Å; F313-I387 HydrophobicContact CZ-CG1 3.64Å; F313-Y393 HydrophobicContact CD1-CE1 4.26Å; F313-Y393 HydrophobicContact CE1-CD1 4.39Å; F313-Y393 HydrophobicContact CE1-CE1 4.05Å; F313-F414 HydrophobicContact CD1-CB 3.61Å; F313-F414 HydrophobicContact CD1-CG 4.42Å; F313-F414 HydrophobicContact CE1-CB 3.42Å; F313-F414 VanDerWaalsContact CE1-CB 3.42Å; F313-F414 AromaticContact CE1-CD2 3.98Å; F313-F414 HydrophobicContact CE1-CD2 3.98Å; F313-F414 AromaticContact CE1-CG 3.82Å; F313-F414 HydrophobicContact CE1-CG 3.82Å; F313-F414 HydrophobicContact CE2-CD2 4.18Å; F313-F414 HydrophobicContact CG-CB 4.44Å; F313-F414 HydrophobicContact CZ-CB 4.1Å; F313-F414 AromaticContact CZ-CD2 3.74Å; F313-F414 HydrophobicContact CZ-CD2 3.74Å; F313-F414 HydrophobicContact CZ-CE2 4.42Å; F313-F414 HydrophobicContact CZ-CG 4.03Å
314	P	91.9	Very high	86.8	Confident	14 Å²	14	68 Å²	68	9%	0.091	35%	0.353	C	S	.	.			trans	-73.7	126.7	-173.8	30.2	-33.2	0	0	0	110.9	N310 S311 M312 L316 Y317 V413 L415	N310-P314 WeakPolarHBondContact O-CA 3.26Å; S311-P314 WeakPolarHBondContact O-CD 3.44Å; M312-P314 VanDerWaalsContact O-CD 3.32Å; M312-P314 WeakPolarHBondContact O-CD 3.35Å; P314-L316 PolarHBondContact O-N 3.07Å; P314-Y317 HydrophobicContact CG-CD2 3.82Å; P314-V413 HydrophobicContact CG-CG1 3.69Å; P314-L415 HydrophobicContact CG-CD2 3.84Å
315	T	87.3	Confident	87.4	Confident	109 Å²	109	66.1 Å²	66.1	67%	0.669	35%	0.346	S	S	*	.	S	Bend	trans	-55.4	-36.9	174.7	60.1	0	0	0	0	112.1	F313 Y421	F313-T315 PolarHBondContact O-N 3.48Å; T315-Y421 PolarHBondContact O-OH 3.13Å
316	L	89.5	Confident	88.1	Confident	111 Å²	111	72.1 Å²	72.1	58%	0.581	38%	0.378	S	S	*	.	S	Bend	trans	-129.8	126.3	177	-67.7	175.7	0	0	0	112.1	P314 Y421	P314-L316 PolarHBondContact O-N 3.07Å; L316-Y421 WeakPolarHBondContact CA-OH 3.47Å
317	Y	92.5	Very high	88.7	Confident	7 Å²	7	70.4 Å²	70.4	3%	0.027	37%	0.366	C	S	.	.			trans	-120.2	134.3	177.1	-159	-103.9	0	0	0	111.9	P314 K321 W322 S325 F327 L396 V413 L415 Y421 W428	P314-Y317 HydrophobicContact CG-CD2 3.82Å; Y317-K321 HydrophobicContact CD2-CB 4.15Å; Y317-K321 HydrophobicContact CD2-CD 4.04Å; Y317-K321 HydrophobicContact CE1-CB 4.33Å; Y317-K321 HydrophobicContact CE2-CB 3.57Å; Y317-K321 HydrophobicContact CE2-CD 4.02Å; Y317-K321 HydrophobicContact CE2-CG 4.42Å; Y317-K321 PolarHBondContact OH-O 3.42Å; Y317-W322 HydrophobicContact CE1-CB 3.92Å; Y317-W322 WeakPolarHBondContact OH-CA 3.47Å; Y317-W322 PolarHBondContact OH-N 3.23Å; Y317-S325 PolarHBondContact OH-OG 2.79Å; Y317-F327 WeakPolarHBondContact OH-CE2 3.46Å; Y317-L396 HydrophobicContact CD1-CD1 4.38Å; Y317-L396 HydrophobicContact CE1-CD1 3.86Å; Y317-V413 HydrophobicContact CD2-CG1 4.08Å; Y317-V413 HydrophobicContact CE2-CG1 4.04Å; Y317-V413 HydrophobicContact CE2-CG2 4.24Å; Y317-L415 HydrophobicContact CD1-CD1 3.97Å; Y317-L415 HydrophobicContact CD2-CD2 4.31Å; Y317-L415 HydrophobicContact CG-CD1 4.15Å; Y317-L415 HydrophobicContact CG-CD2 3.95Å; Y317-Y421 PolarHBondContact N-OH 3.48Å; Y317-W428 HydrophobicContact CD1-CH2 4.41Å; Y317-W428 HydrophobicContact CD1-CZ3 4.24Å; Y317-W428 HydrophobicContact CE1-CZ3 4.49Å
318	T	92.1	Very high	89	Confident	59 Å²	59	65.3 Å²	65.3	36%	0.362	35%	0.345	S	S	.	.			trans	-115.3	162.7	-169.1	61	0	0	0	0	111.9	S320 K321 W322 W428	T318-S320 VanDerWaalsContact C-N 3.3Å; T318-S320 PolarHBondContact O-N 2.73Å; T318-S320 PolarHBondContact OG1-OG 2.94Å; T318-K321 PolarHBondContact O-N 3.28Å; T318-K321 WeakPolarHBondContact OG1-CG 3.34Å; T318-K321 PolarHBondContact OG1-N 3Å; T318-W322 PolarHBondContact O-N 2.76Å; T318-W322 VanDerWaalsContact O-N 3.12Å; T318-W428 VanDerWaalsContact C-CH2 3.41Å
319	R	89.4	Confident	89.4	Confident	137 Å²	137	64.5 Å²	64.5	52%	0.517	34%	0.34	S	S	.	.	H	α-helix	trans	-63.2	-36.6	175.5	-169.4	-179.6	-174.8	-171.5	2.4	111.9	W322 I323 W428	R319-W322 WeakPolarHBondContact O-CB 3.34Å; R319-W322 PolarHBondContact O-N 2.53Å; R319-I323 HydrophobicContact CG-CD1 3.93Å; R319-I323 HydrophobicContact CG-CG1 4.44Å; R319-I323 WeakPolarHBondContact O-CG1 3.49Å; R319-I323 PolarHBondContact O-N 2.93Å; R319-W428 HydrophobicContact CB-CD2 3.93Å; R319-W428 HydrophobicContact CB-CE3 4.49Å; R319-W428 HydrophobicContact CB-CG 4.2Å; R319-W428 HydrophobicContact CB-CZ2 4.03Å; R319-W428 HydrophobicContact CG-CB 4.23Å; R319-W428 HydrophobicContact CG-CD2 3.91Å; R319-W428 HydrophobicContact CG-CG 3.72Å; R319-W428 PolarHBondContact NH2-O 2.88Å
320	S	90.9	Very high	89.8	Confident	86 Å²	86	64.1 Å²	64.1	60%	0.601	34%	0.337	S	S	*	.	H	α-helix	trans	-62.9	-43.8	177.3	48.9	0	0	0	0	112.2	T318 I323 K324	T318-S320 VanDerWaalsContact C-N 3.3Å; T318-S320 PolarHBondContact O-N 2.73Å; T318-S320 PolarHBondContact OG1-OG 2.94Å; S320-I323 PolarHBondContact O-N 2.96Å; S320-K324 WeakPolarHBondContact O-CB 3.07Å; S320-K324 PolarHBondContact O-N 2.84Å
321	K	91.3	Very high	90	Very high	105 Å²	105	59 Å²	59	46%	0.457	31%	0.31	S	S	.	.	H	α-helix	trans	-61.2	-46.7	172.8	-72	-175	176.6	-170.1	0	111.3	Y317 T318 I323 K324 S325	Y317-K321 HydrophobicContact CD2-CB 4.15Å; Y317-K321 HydrophobicContact CD2-CD 4.04Å; Y317-K321 HydrophobicContact CE1-CB 4.33Å; Y317-K321 HydrophobicContact CE2-CB 3.57Å; Y317-K321 HydrophobicContact CE2-CD 4.02Å; Y317-K321 HydrophobicContact CE2-CG 4.42Å; Y317-K321 PolarHBondContact OH-O 3.42Å; T318-K321 PolarHBondContact O-N 3.28Å; T318-K321 WeakPolarHBondContact OG1-CG 3.34Å; T318-K321 PolarHBondContact OG1-N 3Å; K321-I323 PolarHBondContact O-N 3.09Å; K321-K324 PolarHBondContact O-N 2.92Å; K321-S325 WeakPolarHBondContact O-CB 2.75Å; K321-S325 PolarHBondContact O-N 3.25Å; K321-S325 PolarHBondContact O-OG 3.11Å; K321-S325 VanDerWaalsContact O-OG 3.12Å
322	W	87.2	Confident	90.3	Very high	29 Å²	29	56.4 Å²	56.4	11%	0.11	29%	0.292	C	S	.	.	H	α-helix	trans	-54.1	-49.6	176.9	169.4	-101.6	0	0	0	112.8	Y317 T318 R319 S325 F327 L396 L425 W428	Y317-W322 HydrophobicContact CE1-CB 3.92Å; Y317-W322 WeakPolarHBondContact OH-CA 3.47Å; Y317-W322 PolarHBondContact OH-N 3.23Å; T318-W322 PolarHBondContact O-N 2.76Å; T318-W322 VanDerWaalsContact O-N 3.12Å; R319-W322 WeakPolarHBondContact O-CB 3.34Å; R319-W322 PolarHBondContact O-N 2.53Å; W322-S325 PolarHBondContact O-N 3.21Å; W322-F327 AromaticContact CE3-CD2 3.85Å; W322-F327 HydrophobicContact CE3-CD2 3.85Å; W322-F327 HydrophobicContact CH2-CB 4.05Å; W322-F327 HydrophobicContact CZ3-CB 3.8Å; W322-F327 AromaticContact CZ3-CD2 3.69Å; W322-F327 HydrophobicContact CZ3-CD2 3.69Å; W322-F327 HydrophobicContact CZ3-CG 4.22Å; W322-L396 HydrophobicContact CE3-CD1 3.98Å; W322-L396 HydrophobicContact CZ3-CD1 4.07Å; W322-L396 HydrophobicContact CZ3-CD2 4.04Å; W322-L396 HydrophobicContact CZ3-CG 4.45Å; W322-L425 HydrophobicContact CD2-CD2 3.64Å; W322-L425 HydrophobicContact CE3-CD2 3.52Å; W322-L425 HydrophobicContact CG-CD2 4.28Å; W322-L425 HydrophobicContact CH2-CD2 4.25Å; W322-L425 HydrophobicContact CZ2-CD2 4.35Å; W322-L425 HydrophobicContact CZ3-CD2 3.83Å; W322-W428 HydrophobicContact CB-CE3 3.8Å; W322-W428 HydrophobicContact CB-CZ3 3.78Å; W322-W428 AromaticContact CG-CE3 3.88Å; W322-W428 HydrophobicContact CG-CE3 3.88Å; W322-W428 HydrophobicContact CG-CZ3 4.27Å
323	I	87.1	Confident	90.4	Very high	99 Å²	99	56.5 Å²	56.5	51%	0.508	29%	0.292	S	S	.	.	H	α-helix	trans	-65.5	-43.1	-179.8	-65.8	167.9	0	0	0	110.7	R319 S320 K321 S325 N326	R319-I323 HydrophobicContact CG-CD1 3.93Å; R319-I323 HydrophobicContact CG-CG1 4.44Å; R319-I323 WeakPolarHBondContact O-CG1 3.49Å; R319-I323 PolarHBondContact O-N 2.93Å; S320-I323 PolarHBondContact O-N 2.96Å; K321-I323 PolarHBondContact O-N 3.09Å; I323-S325 VanDerWaalsContact C-N 3.33Å; I323-S325 PolarHBondContact O-N 2.79Å; I323-N326 PolarHBondContact O-OD1 3.07Å
324	K	91.7	Very high	90.3	Very high	187 Å²	187	60 Å²	60	81%	0.813	31%	0.305	S	S	*	.	H	α-helix	trans	-65.5	-33.8	-179.8	-171.1	177.8	179.7	-178.2	0	113	S320 K321	S320-K324 WeakPolarHBondContact O-CB 3.07Å; S320-K324 PolarHBondContact O-N 2.84Å; K321-K324 PolarHBondContact O-N 2.92Å
325	S	88.4	Confident	89.8	Confident	41 Å²	41	59.6 Å²	59.6	29%	0.287	30%	0.302	S	S	.	.	H	α-helix	trans	-76	-17.7	-174.9	-68	0	0	0	0	115	Y317 K321 W322 I323 F327 H398	Y317-S325 PolarHBondContact OH-OG 2.79Å; K321-S325 WeakPolarHBondContact O-CB 2.75Å; K321-S325 PolarHBondContact O-N 3.25Å; K321-S325 PolarHBondContact O-OG 3.11Å; K321-S325 VanDerWaalsContact O-OG 3.12Å; W322-S325 PolarHBondContact O-N 3.21Å; I323-S325 VanDerWaalsContact C-N 3.33Å; I323-S325 PolarHBondContact O-N 2.79Å; S325-F327 PolarHBondContact O-N 3.23Å; S325-F327 VanDerWaalsContact O-N 3.13Å; S325-H398 PolarHBondContact O-NE2 3.42Å
326	N	89.3	Confident	89.2	Confident	127 Å²	127	56.9 Å²	56.9	68%	0.679	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.1	45.1	-179.8	-74.2	-27.7	0	0	0	114	I323 T328 H398	I323-N326 PolarHBondContact O-OD1 3.07Å; N326-T328 PolarHBondContact O-N 3.29Å; N326-H398 PolarHBondContact O-CD2 3.16Å
327	F	90.8	Very high	88.1	Confident	13 Å²	13	52.4 Å²	52.4	6%	0.057	27%	0.268	C	S	.	.			trans	-65.1	132.2	179.4	-68.6	-59.3	0	0	0	111.7	Y317 W322 S325 L396 H398 D411 V413	Y317-F327 WeakPolarHBondContact OH-CE2 3.46Å; W322-F327 AromaticContact CE3-CD2 3.85Å; W322-F327 HydrophobicContact CE3-CD2 3.85Å; W322-F327 HydrophobicContact CH2-CB 4.05Å; W322-F327 HydrophobicContact CZ3-CB 3.8Å; W322-F327 AromaticContact CZ3-CD2 3.69Å; W322-F327 HydrophobicContact CZ3-CD2 3.69Å; W322-F327 HydrophobicContact CZ3-CG 4.22Å; S325-F327 PolarHBondContact O-N 3.23Å; S325-F327 VanDerWaalsContact O-N 3.13Å; F327-L396 HydrophobicContact CD1-CB 4.24Å; F327-L396 HydrophobicContact CD2-CB 3.54Å; F327-L396 HydrophobicContact CD2-CD1 4.14Å; F327-L396 HydrophobicContact CD2-CG 4.45Å; F327-L396 HydrophobicContact CE1-CB 4.3Å; F327-L396 WeakPolarHBondContact CE1-O 3.5Å; F327-L396 HydrophobicContact CE2-CB 3.56Å; F327-L396 HydrophobicContact CE2-CD1 4.01Å; F327-L396 HydrophobicContact CE2-CG 4.45Å; F327-L396 HydrophobicContact CG-CB 3.87Å; F327-L396 HydrophobicContact CZ-CB 3.98Å; F327-H398 AromaticContact CD1-CE1 3.46Å; F327-H398 VanDerWaalsContact CD1-CE1 3.46Å; F327-H398 WeakPolarHBondContact CD1-CE1 3.33Å; F327-H398 AromaticContact CD1-ND1 3.9Å; F327-H398 AromaticContact CD1-NE2 3.72Å; F327-H398 AromaticContact CE1-CE1 3.55Å; F327-D411 VanDerWaalsContact CE1-O 3.24Å; F327-D411 WeakPolarHBondContact CE1-O 3.4Å; F327-D411 VanDerWaalsContact CZ-O 3.28Å; F327-D411 WeakPolarHBondContact CZ-O 3.29Å; F327-V413 HydrophobicContact CE2-CB 4.43Å; F327-V413 HydrophobicContact CE2-CG2 4.34Å; F327-V413 HydrophobicContact CZ-CB 4.09Å; F327-V413 HydrophobicContact CZ-CG2 3.79Å
328	T	89.2	Confident	86.6	Confident	42 Å²	42	53.8 Å²	53.8	26%	0.258	28%	0.277	S	S	.	.	S	Bend	trans	-92.2	-17.1	178.2	60.5	0	0	0	0	113.3	N326 S362 D363 T397 H398 S399	N326-T328 PolarHBondContact O-N 3.29Å; T328-S362 WeakPolarHBondContact O-CA 3.38Å; T328-D363 WeakPolarHBondContact CB-OD2 3.46Å; T328-D363 PolarHBondContact O-N 2.91Å; T328-T397 PolarHBondContact N-O 2.98Å; T328-H398 WeakPolarHBondContact OG1-CA 3.41Å; T328-S399 PolarHBondContact OG1-N 3.26Å; T328-S399 PolarHBondContact OG1-OG 3.12Å
329	V	89.6	Confident	84.9	Confident	1 Å²	1	53.7 Å²	53.7	1%	0.006	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	135.3	177.8	-178.3	0	0	0	0	111.3	A331 D361 I364 L396 T397 L406	V329-A331 HydrophobicContact CG1-CB 4.43Å; V329-D361 WeakPolarHBondContact CA-O 3.44Å; V329-I364 HydrophobicContact CG2-CG1 4.43Å; V329-L396 WeakPolarHBondContact O-CA 3.25Å; V329-T397 HydrophobicContact CB-CG2 4.11Å; V329-T397 PolarHBondContact N-O 3.24Å; V329-T397 PolarHBondContact O-N 2.96Å; V329-L406 HydrophobicContact CB-CD2 4.09Å; V329-L406 HydrophobicContact CG1-CD2 3.82Å; V329-L406 HydrophobicContact CG2-CD2 3.74Å
330	S	92.6	Very high	83.1	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	120	165.9	65.2	0	0	0	0	110.1	Y360 D361 M395	S330-Y360 PolarHBondContact O-N 2.92Å; S330-D361 PolarHBondContact N-O 3.45Å; S330-D361 PolarHBondContact O-N 3.05Å; S330-D361 WeakPolarHBondContact OG-CB 3.5Å; S330-D361 PolarHBondContact OG-N 3.13Å; S330-M395 WeakPolarHBondContact CA-O 3.46Å
331	A	92.4	Very high	81.3	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.008	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	141.4	-175	0	0	0	0	0	111.5	V329 I356 K358 M395	V329-A331 HydrophobicContact CG1-CB 4.43Å; A331-I356 HydrophobicContact CB-CG2 4.22Å; A331-K358 CarbonylContact C-O 3.58Å; A331-K358 WeakPolarHBondContact CA-O 3.45Å; A331-M395 PolarHBondContact N-O 3Å; A331-M395 PolarHBondContact O-N 2.81Å
332	V	93.3	Very high	79.2	Confident	10 Å²	10	46.3 Å²	46.3	6%	0.061	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	118.5	169.9	173.7	0	0	0	0	108.5	L357 K358 Y360 Y393 L394 V418 T422	V332-L357 HydrophobicContact CG1-CB 4.34Å; V332-L357 HydrophobicContact CG1-CD1 4.19Å; V332-L357 WeakPolarHBondContact O-CB 3.37Å; V332-L357 PolarHBondContact O-N 3.39Å; V332-K358 PolarHBondContact N-O 3.47Å; V332-K358 PolarHBondContact O-N 3.43Å; V332-Y360 HydrophobicContact CB-CE2 4.3Å; V332-Y360 HydrophobicContact CG2-CD2 3.97Å; V332-Y360 HydrophobicContact CG2-CE2 3.47Å; V332-Y360 VanDerWaalsContact CG2-CE2 3.47Å; V332-Y393 CarbonylContact C-O 3.56Å; V332-Y393 WeakPolarHBondContact CA-O 3.26Å; V332-L394 HydrophobicContact CG2-CB 4.46Å; V332-L394 HydrophobicContact CG2-CD1 4.07Å; V332-V418 HydrophobicContact CB-CG1 4.41Å; V332-V418 HydrophobicContact CG1-CG1 3.88Å; V332-V418 HydrophobicContact CG2-CG1 3.57Å; V332-T422 HydrophobicContact CG2-CG2 3.91Å
333	I	91.2	Very high	77.4	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	158	179.9	72.2	169.5	0	0	0	110.6	F354 H355 I356 K392 Y393 M395 F414	I333-F354 HydrophobicContact CB-CD2 4.01Å; I333-F354 HydrophobicContact CD1-CB 4.41Å; I333-F354 HydrophobicContact CD1-CD2 4.18Å; I333-F354 HydrophobicContact CD1-CG 4.33Å; I333-F354 HydrophobicContact CG2-CD2 3.87Å; I333-F354 HydrophobicContact CG2-CE2 4.17Å; I333-H355 CarbonylContact C-O 3.51Å; I333-H355 VanDerWaalsContact CA-O 3.26Å; I333-H355 WeakPolarHBondContact CA-O 3.34Å; I333-I356 HydrophobicContact CG2-CG1 4.02Å; I333-K392 CarbonylContact O-C 3.47Å; I333-K392 VanDerWaalsContact O-CA 3.26Å; I333-K392 WeakPolarHBondContact O-CA 3.32Å; I333-Y393 PolarHBondContact N-O 3.35Å; I333-Y393 PolarHBondContact O-N 3.22Å; I333-M395 HydrophobicContact CD1-CB 4.14Å; I333-M395 HydrophobicContact CD1-SD 4.17Å; I333-M395 HydrophobicContact CG1-CB 4.3Å; I333-M395 HydrophobicContact CG2-CB 4.02Å; I333-M395 HydrophobicContact CG2-CE 3.99Å; I333-M395 HydrophobicContact CG2-SD 4.34Å; I333-F414 HydrophobicContact CD1-CD1 3.89Å; I333-F414 HydrophobicContact CD1-CE1 3.65Å
334	R	88.3	Confident	75.5	Confident	78 Å²	78	49.7 Å²	49.7	29%	0.294	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.2	163.9	-172.3	-175.7	-172.2	-158.7	-5	108	Y181 S336 F354 H355 L357 G390 K391 K392	Y181-R334 PolarHBondContact OH-NH1 2.07Å; Y181-R334 PolarHBondContact OH-NH2 3.5Å; R334-S336 PolarHBondContact O-N 3.39Å; R334-F354 CarbonylContact O-C 3.47Å; R334-F354 VanDerWaalsContact O-CA 3.25Å; R334-F354 WeakPolarHBondContact O-CA 2.91Å; R334-F354 WeakPolarHBondContact O-CB 3.17Å; R334-H355 HydrophobicContact CB-CB 4.48Å; R334-H355 PolarHBondContact N-O 3.27Å; R334-H355 PolarHBondContact O-N 3.12Å; R334-L357 HydrophobicContact CB-CD1 4.01Å; R334-L357 HydrophobicContact CB-CG 4.3Å; R334-G390 WeakPolarHBondContact CG-O 3.49Å; R334-G390 PolarHBondContact NE-O 3.38Å; R334-K391 WeakPolarHBondContact CA-O 3.44Å; R334-K392 HydrophobicContact CB-CG 4.38Å; R334-K392 HydrophobicContact CG-CG 4.34Å
335	I	82.2	Confident	73.4	Confident	7 Å²	7	46.1 Å²	46.1	4%	0.036	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	117.5	174.2	-56.1	-177.5	0	0	0	106.6	I387 G390 K391 Y393	I335-I387 HydrophobicContact CD1-CB 4.32Å; I335-I387 HydrophobicContact CD1-CG2 3.57Å; I335-I387 HydrophobicContact CG2-CG2 4.27Å; I335-G390 WeakPolarHBondContact O-CA 3.42Å; I335-G390 PolarHBondContact O-N 2.86Å; I335-K391 PolarHBondContact N-O 2.95Å; I335-Y393 HydrophobicContact CD1-CD2 4.02Å; I335-Y393 HydrophobicContact CD1-CE2 3.6Å; I335-Y393 HydrophobicContact CG1-CD2 4.12Å; I335-Y393 HydrophobicContact CG1-CE2 4Å
336	S	75.3	Confident	71.4	Confident	51 Å²	51	49.6 Å²	49.6	36%	0.357	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-23.4	-176.3	-62.8	0	0	0	0	112.4	R334 R353	R334-S336 PolarHBondContact O-N 3.39Å; S336-R353 WeakPolarHBondContact CA-O 3.47Å; S336-R353 PolarHBondContact N-O 2.92Å
337	G	65.6	Low	69.3	Low	17 Å²	17	50.2 Å²	50.2	18%	0.175	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.9	162.5	172.7	0	0	0	0	0	112.6	R353	G337-R353 PolarHBondContact N-O 2.79Å; G337-R353 VanDerWaalsContact N-O 3.11Å; G337-R353 PolarHBondContact O-N 3.17Å
338	T	61.5	Low	67.4	Low	36 Å²	36	52.4 Å²	52.4	22%	0.221	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	116.9	170	52.2	0	0	0	0	108.1	F352 I387 V389	T338-F352 HydrophobicContact CG2-CD1 3.8Å; T338-F352 HydrophobicContact CG2-CE1 3.58Å; T338-I387 HydrophobicContact CG2-CG2 4.35Å; T338-V389 HydrophobicContact CG2-CG2 4.48Å
339	L	55	Low	65.8	Low	57 Å²	57	52.8 Å²	52.8	30%	0.298	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	163.6	172.4	-67.6	163.6	0	0	0	108.3	L351 L373	L339-L351 HydrophobicContact CB-CB 3.62Å; L339-L351 PolarHBondContact N-O 3.08Å; L339-L351 PolarHBondContact O-N 2.96Å; L339-L373 HydrophobicContact CD1-CD1 3.79Å
340	W	52.4	Low	64.3	Low	34 Å²	34	53.1 Å²	53.1	13%	0.129	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	143.8	-174.4	-54.5	108.2	0	0	0	109.6	F348 P350 I382	W340-F348 HydrophobicContact CB-CE2 4.01Å; W340-F348 HydrophobicContact CD2-CE1 4.22Å; W340-F348 AromaticContact CD2-CE2 3.86Å; W340-F348 HydrophobicContact CD2-CE2 3.86Å; W340-F348 AromaticContact CD2-CZ 3.45Å; W340-F348 HydrophobicContact CD2-CZ 3.45Å; W340-F348 VanDerWaalsContact CD2-CZ 3.45Å; W340-F348 AromaticContact CE2-CZ 3.99Å; W340-F348 HydrophobicContact CE3-CD1 4.2Å; W340-F348 HydrophobicContact CE3-CD2 4.39Å; W340-F348 AromaticContact CE3-CE1 3.41Å; W340-F348 HydrophobicContact CE3-CE1 3.41Å; W340-F348 VanDerWaalsContact CE3-CE1 3.41Å; W340-F348 AromaticContact CE3-CE2 3.62Å; W340-F348 HydrophobicContact CE3-CE2 3.62Å; W340-F348 AromaticContact CE3-CZ 3.07Å; W340-F348 HydrophobicContact CE3-CZ 3.07Å; W340-F348 HydrophobicContact CG-CE2 4.05Å; W340-F348 HydrophobicContact CG-CZ 4.09Å; W340-F348 AromaticContact CH2-CE1 3.76Å; W340-F348 HydrophobicContact CH2-CE1 3.76Å; W340-F348 AromaticContact CH2-CZ 3.8Å; W340-F348 HydrophobicContact CH2-CZ 3.8Å; W340-F348 HydrophobicContact CZ2-CZ 4.18Å; W340-F348 HydrophobicContact CZ3-CD1 4.02Å; W340-F348 AromaticContact CZ3-CE1 3.11Å; W340-F348 HydrophobicContact CZ3-CE1 3.11Å; W340-F348 HydrophobicContact CZ3-CE2 4.21Å; W340-F348 AromaticContact CZ3-CZ 3.24Å; W340-F348 HydrophobicContact CZ3-CZ 3.24Å; W340-P350 HydrophobicContact CE3-CB 4.01Å; W340-P350 HydrophobicContact CZ3-CB 3.74Å; W340-I382 HydrophobicContact CH2-CD1 3.25Å; W340-I382 HydrophobicContact CZ3-CD1 3.26Å
341	W	52	Low	62.9	Low	72 Å²	72	53.8 Å²	53.8	27%	0.273	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	153.5	170.5	73.1	-66.9	0	0	0	111.2	Q349 L351	W341-Q349 HydrophobicContact CD2-CB 4.45Å; W341-Q349 HydrophobicContact CG-CB 4.39Å; W341-Q349 HydrophobicContact CZ2-CB 4.39Å; W341-Q349 PolarHBondContact N-O 3.45Å; W341-Q349 VanDerWaalsContact NE1-CB 3.29Å; W341-Q349 PolarHBondContact O-N 3.24Å; W341-L351 HydrophobicContact CB-CD1 4.09Å; W341-L351 VanDerWaalsContact CD1-CD1 3.42Å; W341-L351 HydrophobicContact CG-CD1 3.87Å; W341-L351 HydrophobicContact CG-CG 4.48Å
342	F	48.9	Very low	61.9	Low	67 Å²	67	54 Å²	54	29%	0.294	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	114.7	171.2	-70.2	-83.2	0	0	0	109	L267 L268	L267-F342 HydrophobicContact CB-CE1 4.47Å; L267-F342 HydrophobicContact CD1-CE1 4.27Å; L268-F342 HydrophobicContact CD2-CE2 4.08Å; L268-F342 HydrophobicContact CD2-CZ 3.95Å; L268-F342 HydrophobicContact CG-CZ 4.48Å
343	G	49.4	Very low	61	Low	4 Å²	4	59.5 Å²	59.5	4%	0.041	28%	0.278	C	S	.	.			trans	-66.9	169.8	176	0	0	0	0	0	112.4	N345 D346 R347	G343-N345 PolarHBondContact O-N 2.91Å; G343-D346 PolarHBondContact O-N 2.81Å; G343-R347 PolarHBondContact N-O 2.88Å
344	K	46.4	Very low	60.6	Low	195 Å²	195	59.7 Å²	59.7	85%	0.848	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-13.6	179.1	-174.8	177	174.9	-173.5	0	116.1
345	N	48.5	Very low	60.5	Low	113 Å²	113	59 Å²	59	60%	0.604	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	21.1	-177.6	-56.1	-4.6	0	0	0	111.8	G343 R347	G343-N345 PolarHBondContact O-N 2.91Å; N345-R347 HydrophobicContact CB-CG 4.13Å; N345-R347 WeakPolarHBondContact O-CG 3.44Å; N345-R347 PolarHBondContact O-N 3.05Å
346	D	45.3	Very low	60.7	Low	113 Å²	113	58.7 Å²	58.7	60%	0.604	28%	0.277	S	S	*	.	S	Bend	trans	54.8	23	-172.4	-48.6	-42.7	0	0	0	113.5	G343	G343-D346 PolarHBondContact O-N 2.81Å
347	R	45.3	Very low	61.5	Low	140 Å²	140	58.5 Å²	58.5	53%	0.528	27%	0.272	S	S	.	.			trans	-91	128.6	178.3	-66	-172.6	-172.5	-162.8	0	110.1	G343 N345 Q349	G343-R347 PolarHBondContact N-O 2.88Å; N345-R347 HydrophobicContact CB-CG 4.13Å; N345-R347 WeakPolarHBondContact O-CG 3.44Å; N345-R347 PolarHBondContact O-N 3.05Å; R347-Q349 PolarHBondContact O-N 3.18Å
348	F	51.2	Low	62.6	Low	59 Å²	59	62.4 Å²	62.4	26%	0.259	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.2	121.1	170.9	-168.6	-120.8	0	0	0	110.7	L268 W340	L268-F348 HydrophobicContact CD2-CD2 4.33Å; L268-F348 HydrophobicContact CD2-CE2 3.77Å; W340-F348 HydrophobicContact CB-CE2 4.01Å; W340-F348 HydrophobicContact CD2-CE1 4.22Å; W340-F348 AromaticContact CD2-CE2 3.86Å; W340-F348 HydrophobicContact CD2-CE2 3.86Å; W340-F348 AromaticContact CD2-CZ 3.45Å; W340-F348 HydrophobicContact CD2-CZ 3.45Å; W340-F348 VanDerWaalsContact CD2-CZ 3.45Å; W340-F348 AromaticContact CE2-CZ 3.99Å; W340-F348 HydrophobicContact CE3-CD1 4.2Å; W340-F348 HydrophobicContact CE3-CD2 4.39Å; W340-F348 AromaticContact CE3-CE1 3.41Å; W340-F348 HydrophobicContact CE3-CE1 3.41Å; W340-F348 VanDerWaalsContact CE3-CE1 3.41Å; W340-F348 AromaticContact CE3-CE2 3.62Å; W340-F348 HydrophobicContact CE3-CE2 3.62Å; W340-F348 AromaticContact CE3-CZ 3.07Å; W340-F348 HydrophobicContact CE3-CZ 3.07Å; W340-F348 HydrophobicContact CG-CE2 4.05Å; W340-F348 HydrophobicContact CG-CZ 4.09Å; W340-F348 AromaticContact CH2-CE1 3.76Å; W340-F348 HydrophobicContact CH2-CE1 3.76Å; W340-F348 AromaticContact CH2-CZ 3.8Å; W340-F348 HydrophobicContact CH2-CZ 3.8Å; W340-F348 HydrophobicContact CZ2-CZ 4.18Å; W340-F348 HydrophobicContact CZ3-CD1 4.02Å; W340-F348 AromaticContact CZ3-CE1 3.11Å; W340-F348 HydrophobicContact CZ3-CE1 3.11Å; W340-F348 HydrophobicContact CZ3-CE2 4.21Å; W340-F348 AromaticContact CZ3-CZ 3.24Å; W340-F348 HydrophobicContact CZ3-CZ 3.24Å
349	Q	55.2	Low	64	Low	51 Å²	51	61.5 Å²	61.5	24%	0.238	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.1	177.2	-71.6	-170.3	30.1	0	0	110.6	W341 R347	W341-Q349 HydrophobicContact CD2-CB 4.45Å; W341-Q349 HydrophobicContact CG-CB 4.39Å; W341-Q349 HydrophobicContact CZ2-CB 4.39Å; W341-Q349 PolarHBondContact N-O 3.45Å; W341-Q349 VanDerWaalsContact NE1-CB 3.29Å; W341-Q349 PolarHBondContact O-N 3.24Å; R347-Q349 PolarHBondContact O-N 3.18Å
350	P	57.4	Low	65.5	Low	8 Å²	8	64 Å²	64	5%	0.052	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	135.2	175.3	32.4	-35.5	0	0	0	112.1	W340 F352 W377 I382	W340-P350 HydrophobicContact CE3-CB 4.01Å; W340-P350 HydrophobicContact CZ3-CB 3.74Å; P350-F352 HydrophobicContact CB-CD2 4.22Å; P350-F352 HydrophobicContact CB-CE2 3.51Å; P350-F352 HydrophobicContact CB-CZ 3.8Å; P350-F352 HydrophobicContact CG-CD2 4.49Å; P350-F352 HydrophobicContact CG-CE2 3.62Å; P350-F352 HydrophobicContact CG-CZ 4.18Å; P350-W377 HydrophobicContact CG-CB 4.21Å; P350-I382 HydrophobicContact CB-CD1 3.69Å; P350-I382 HydrophobicContact CB-CG1 4.08Å; P350-I382 HydrophobicContact CG-CD1 3.9Å; P350-I382 HydrophobicContact CG-CG1 3.76Å
351	L	65	Low	67.1	Low	15 Å²	15	65.6 Å²	65.6	8%	0.079	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	110.3	167.4	-87	157.6	0	0	0	108.3	L339 W341 L373 T374	L339-L351 HydrophobicContact CB-CB 3.62Å; L339-L351 PolarHBondContact N-O 3.08Å; L339-L351 PolarHBondContact O-N 2.96Å; W341-L351 HydrophobicContact CB-CD1 4.09Å; W341-L351 VanDerWaalsContact CD1-CD1 3.42Å; W341-L351 HydrophobicContact CG-CD1 3.87Å; W341-L351 HydrophobicContact CG-CG 4.48Å; L351-L373 HydrophobicContact CB-CD1 4.21Å; L351-L373 HydrophobicContact CD2-CD1 3.99Å; L351-L373 HydrophobicContact CD2-CD2 4.27Å; L351-L373 HydrophobicContact CD2-CG 3.92Å; L351-T374 CarbonylContact C-O 3.57Å; L351-T374 VanDerWaalsContact CA-O 3.29Å; L351-T374 WeakPolarHBondContact CA-O 3.44Å
352	F	71.4	Confident	68.8	Low	4 Å²	4	63.5 Å²	63.5	2%	0.018	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	122.4	175.6	-66.6	-81.1	0	0	0	110.3	T338 P350 T374 W377 I382 I387	T338-F352 HydrophobicContact CG2-CD1 3.8Å; T338-F352 HydrophobicContact CG2-CE1 3.58Å; P350-F352 HydrophobicContact CB-CD2 4.22Å; P350-F352 HydrophobicContact CB-CE2 3.51Å; P350-F352 HydrophobicContact CB-CZ 3.8Å; P350-F352 HydrophobicContact CG-CD2 4.49Å; P350-F352 HydrophobicContact CG-CE2 3.62Å; P350-F352 HydrophobicContact CG-CZ 4.18Å; F352-T374 HydrophobicContact CB-CG2 4.02Å; F352-T374 PolarHBondContact N-O 3.32Å; F352-T374 PolarHBondContact O-N 2.64Å; F352-W377 HydrophobicContact CD2-CB 3.99Å; F352-W377 AromaticContact CD2-CD2 3.64Å; F352-W377 HydrophobicContact CD2-CD2 3.64Å; F352-W377 AromaticContact CD2-CE3 3.32Å; F352-W377 HydrophobicContact CD2-CE3 3.32Å; F352-W377 AromaticContact CD2-CG 3.93Å; F352-W377 HydrophobicContact CD2-CG 3.93Å; F352-W377 HydrophobicContact CD2-CZ3 4.05Å; F352-W377 HydrophobicContact CE2-CB 3.76Å; F352-W377 AromaticContact CE2-CD2 3.32Å; F352-W377 HydrophobicContact CE2-CD2 3.32Å; F352-W377 AromaticContact CE2-CE2 3.98Å; F352-W377 AromaticContact CE2-CE3 3.53Å; F352-W377 HydrophobicContact CE2-CE3 3.53Å; F352-W377 AromaticContact CE2-CG 3.41Å; F352-W377 HydrophobicContact CE2-CG 3.41Å; F352-W377 VanDerWaalsContact CE2-CG 3.41Å; F352-W377 HydrophobicContact CE2-CZ3 4.3Å; F352-W377 HydrophobicContact CG-CE3 4Å; F352-W377 HydrophobicContact CG-CZ3 4.31Å; F352-W377 HydrophobicContact CZ-CD2 4.13Å; F352-W377 HydrophobicContact CZ-CE3 4.37Å; F352-W377 HydrophobicContact CZ-CG 4.39Å; F352-I382 HydrophobicContact CZ-CD1 4.3Å; F352-I382 HydrophobicContact CZ-CG1 4.12Å; F352-I382 HydrophobicContact CZ-CG2 4.09Å; F352-I387 HydrophobicContact CD1-CD1 4.33Å; F352-I387 HydrophobicContact CD1-CG2 4.14Å; F352-I387 HydrophobicContact CE1-CB 4.49Å; F352-I387 HydrophobicContact CE1-CD1 3.46Å; F352-I387 VanDerWaalsContact CE1-CD1 3.46Å; F352-I387 HydrophobicContact CE1-CG1 4.48Å; F352-I387 HydrophobicContact CE1-CG2 3.66Å; F352-I387 HydrophobicContact CE2-CD1 4.36Å; F352-I387 HydrophobicContact CZ-CD1 3.47Å; F352-I387 VanDerWaalsContact CZ-CD1 3.47Å
353	R	73.7	Confident	70.5	Confident	126 Å²	126	63.1 Å²	63.1	48%	0.475	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	112.1	170.1	-173.5	176.6	-177.3	-163.4	-1.5	108.5	S336 G337 M371 I372 L373	S336-R353 WeakPolarHBondContact CA-O 3.47Å; S336-R353 PolarHBondContact N-O 2.92Å; G337-R353 PolarHBondContact N-O 2.79Å; G337-R353 VanDerWaalsContact N-O 3.11Å; G337-R353 PolarHBondContact O-N 3.17Å; R353-M371 HydrophobicContact CG-CE 3.51Å; R353-I372 WeakPolarHBondContact CA-O 3.41Å; R353-L373 HydrophobicContact CB-CD1 4.17Å
354	F	83.6	Confident	72.1	Confident	7 Å²	7	63.4 Å²	63.4	3%	0.031	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.8	178.3	62.1	-86.6	0	0	0	112.2	I333 R334 I356 I372 T374 M395 I408	I333-F354 HydrophobicContact CB-CD2 4.01Å; I333-F354 HydrophobicContact CD1-CB 4.41Å; I333-F354 HydrophobicContact CD1-CD2 4.18Å; I333-F354 HydrophobicContact CD1-CG 4.33Å; I333-F354 HydrophobicContact CG2-CD2 3.87Å; I333-F354 HydrophobicContact CG2-CE2 4.17Å; R334-F354 CarbonylContact O-C 3.47Å; R334-F354 VanDerWaalsContact O-CA 3.25Å; R334-F354 WeakPolarHBondContact O-CA 2.91Å; R334-F354 WeakPolarHBondContact O-CB 3.17Å; F354-I356 HydrophobicContact CD2-CG1 4.03Å; F354-I356 HydrophobicContact CE2-CD1 4.02Å; F354-I356 HydrophobicContact CE2-CG1 3.9Å; F354-I372 HydrophobicContact CD1-CB 4.49Å; F354-I372 HydrophobicContact CD2-CB 4.32Å; F354-I372 HydrophobicContact CE1-CB 3.98Å; F354-I372 HydrophobicContact CE1-CG2 3.77Å; F354-I372 HydrophobicContact CE2-CB 3.82Å; F354-I372 HydrophobicContact CE2-CD1 4.09Å; F354-I372 HydrophobicContact CE2-CG1 4.29Å; F354-I372 HydrophobicContact CE2-CG2 4.27Å; F354-I372 HydrophobicContact CZ-CB 3.63Å; F354-I372 HydrophobicContact CZ-CD1 4.14Å; F354-I372 HydrophobicContact CZ-CG1 4.39Å; F354-I372 HydrophobicContact CZ-CG2 3.57Å; F354-I372 PolarHBondContact N-O 3.26Å; F354-I372 PolarHBondContact O-N 3.26Å; F354-T374 HydrophobicContact CD1-CG2 4.39Å; F354-T374 HydrophobicContact CE1-CG2 3.74Å; F354-M395 HydrophobicContact CE2-CE 4.2Å; F354-I408 HydrophobicContact CE1-CD1 3.9Å; F354-I408 HydrophobicContact CZ-CD1 3.93Å
355	H	85	Confident	73.8	Confident	63 Å²	63	59.8 Å²	59.8	29%	0.292	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	124.6	174	-170.2	-142.7	0	0	0	109.2	I333 R334 L357 E369 K370 M371	I333-H355 CarbonylContact C-O 3.51Å; I333-H355 VanDerWaalsContact CA-O 3.26Å; I333-H355 WeakPolarHBondContact CA-O 3.34Å; R334-H355 HydrophobicContact CB-CB 4.48Å; R334-H355 PolarHBondContact N-O 3.27Å; R334-H355 PolarHBondContact O-N 3.12Å; H355-L357 VanDerWaalsContact ND1-CD2 3.32Å; H355-L357 WeakPolarHBondContact ND1-CD2 3.35Å; H355-L357 PolarHBondContact O-N 3.17Å; H355-E369 PolarHBondContact CD2-O 3.37Å; H355-E369 WeakPolarHBondContact NE2-CA 3.23Å; H355-E369 WeakPolarHBondContact NE2-CB 3.3Å; H355-E369 PolarHBondContact NE2-O 2.98Å; H355-K370 PolarHBondContact CD2-O 3.02Å; H355-M371 HydrophobicContact CB-CE 4.12Å; H355-M371 HydrophobicContact CB-SD 3.44Å; H355-M371 WeakPolarHBondContact CB-SD 3.5Å; H355-M371 PolarHBondContact CD2-SD 3.28Å
356	I	87.7	Confident	75.4	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	108.5	170.5	-64.8	-176.4	0	0	0	107.5	A331 I333 F354 Y367 E369 K370 I372 L406	A331-I356 HydrophobicContact CB-CG2 4.22Å; I333-I356 HydrophobicContact CG2-CG1 4.02Å; F354-I356 HydrophobicContact CD2-CG1 4.03Å; F354-I356 HydrophobicContact CE2-CD1 4.02Å; F354-I356 HydrophobicContact CE2-CG1 3.9Å; I356-Y367 WeakPolarHBondContact CB-O 3.24Å; I356-Y367 VanDerWaalsContact CD1-CB 3.42Å; I356-Y367 HydrophobicContact CD1-CD2 4.48Å; I356-Y367 HydrophobicContact CD1-CG 3.99Å; I356-Y367 WeakPolarHBondContact CG2-O 3.46Å; I356-E369 VanDerWaalsContact O-CA 3.28Å; I356-E369 WeakPolarHBondContact O-CA 3.43Å; I356-E369 PolarHBondContact O-N 2.86Å; I356-K370 PolarHBondContact N-O 2.82Å; I356-I372 HydrophobicContact CD1-CD1 3.47Å; I356-I372 VanDerWaalsContact CD1-CD1 3.47Å; I356-I372 HydrophobicContact CD1-CG1 4.13Å; I356-I372 HydrophobicContact CG1-CD1 4.4Å; I356-L406 HydrophobicContact CD1-CD1 3.72Å
357	L	90.3	Very high	76.9	Confident	48 Å²	48	52.4 Å²	52.4	25%	0.251	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	-36.4	-178.9	-66.7	172.4	0	0	0	112	V332 R334 H355 K392	V332-L357 HydrophobicContact CG1-CB 4.34Å; V332-L357 HydrophobicContact CG1-CD1 4.19Å; V332-L357 WeakPolarHBondContact O-CB 3.37Å; V332-L357 PolarHBondContact O-N 3.39Å; R334-L357 HydrophobicContact CB-CD1 4.01Å; R334-L357 HydrophobicContact CB-CG 4.3Å; H355-L357 VanDerWaalsContact ND1-CD2 3.32Å; H355-L357 WeakPolarHBondContact ND1-CD2 3.35Å; H355-L357 PolarHBondContact O-N 3.17Å; L357-K392 HydrophobicContact CD1-CD 3.61Å; L357-K392 HydrophobicContact CD1-CG 3.93Å
358	K	90.3	Very high	78.7	Confident	99 Å²	99	49 Å²	49	43%	0.43	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166	130.2	178.9	-178.5	160.3	-173.7	155.8	0	112.2	A331 V332 Y360	A331-K358 CarbonylContact C-O 3.58Å; A331-K358 WeakPolarHBondContact CA-O 3.45Å; V332-K358 PolarHBondContact N-O 3.47Å; V332-K358 PolarHBondContact O-N 3.43Å; K358-Y360 HydrophobicContact CB-CE2 4.33Å; K358-Y360 HydrophobicContact CD-CE2 4.28Å; K358-Y360 HydrophobicContact CG-CD2 4.28Å; K358-Y360 HydrophobicContact CG-CE2 4.1Å
359	T	89.7	Confident	80.1	Confident	16 Å²	16	53.2 Å²	53.2	10%	0.098	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	129.5	167.7	-45.1	0	0	0	0	108.6	D361 P366 Y367 D368	T359-D361 WeakPolarHBondContact CG2-O 3.42Å; T359-P366 HydrophobicContact CG2-CB 4.2Å; T359-Y367 PolarHBondContact OG1-N 2.52Å; T359-D368 WeakPolarHBondContact CA-OD1 3.32Å; T359-D368 WeakPolarHBondContact CB-OD1 3.46Å; T359-D368 PolarHBondContact N-OD1 3.12Å; T359-D368 PolarHBondContact OG1-OD1 2.69Å
360	Y	87.6	Confident	81.2	Confident	111 Å²	111	54.4 Å²	54.4	44%	0.435	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-28.8	177.2	-84.2	-95.8	0	0	0	112.4	S330 V332 K358 T422	S330-Y360 PolarHBondContact O-N 2.92Å; V332-Y360 HydrophobicContact CB-CE2 4.3Å; V332-Y360 HydrophobicContact CG2-CD2 3.97Å; V332-Y360 HydrophobicContact CG2-CE2 3.47Å; V332-Y360 VanDerWaalsContact CG2-CE2 3.47Å; K358-Y360 HydrophobicContact CB-CE2 4.33Å; K358-Y360 HydrophobicContact CD-CE2 4.28Å; K358-Y360 HydrophobicContact CG-CD2 4.28Å; K358-Y360 HydrophobicContact CG-CE2 4.1Å; Y360-T422 HydrophobicContact CD2-CG2 4.33Å; Y360-T422 HydrophobicContact CE1-CG2 4.18Å; Y360-T422 HydrophobicContact CE2-CG2 3.82Å
361	D	86	Confident	82	Confident	66 Å²	66	57.7 Å²	57.7	35%	0.353	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	143.8	173.6	-169.9	30.1	0	0	0	108.9	V329 S330 T359 K429	V329-D361 WeakPolarHBondContact CA-O 3.44Å; S330-D361 PolarHBondContact N-O 3.45Å; S330-D361 PolarHBondContact O-N 3.05Å; S330-D361 WeakPolarHBondContact OG-CB 3.5Å; S330-D361 PolarHBondContact OG-N 3.13Å; T359-D361 WeakPolarHBondContact CG2-O 3.42Å; D361-K429 IonicContact OD2-NZ 3.78Å; D361-K429 PolarHBondContact OD2-NZ 3.04Å
362	S	86.3	Confident	82.4	Confident	29 Å²	29	57.5 Å²	57.5	20%	0.203	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	133.5	179.3	-179.7	0	0	0	0	109.1	T328 I364	T328-S362 WeakPolarHBondContact O-CA 3.38Å; S362-I364 VanDerWaalsContact C-N 3.28Å; S362-I364 VanDerWaalsContact CB-O 3.31Å; S362-I364 WeakPolarHBondContact CB-O 3.47Å; S362-I364 VanDerWaalsContact OG-CG1 3.29Å; S362-I364 WeakPolarHBondContact OG-CG1 3.28Å; S362-I364 PolarHBondContact OG-N 2.76Å; S362-I364 PolarHBondContact OG-O 2.92Å
363	D	85.6	Confident	82.2	Confident	59 Å²	59	59.5 Å²	59.5	32%	0.316	28%	0.284	S	S	.	.	S	Bend	trans	-84.8	-4	170.4	68.5	-18.9	0	0	0	113.5	T328 S399 K401	T328-D363 WeakPolarHBondContact CB-OD2 3.46Å; T328-D363 PolarHBondContact O-N 2.91Å; D363-S399 WeakPolarHBondContact OD1-CB 3.43Å; D363-S399 PolarHBondContact OD1-OG 3.44Å; D363-S399 PolarHBondContact OD2-OG 2.97Å; D363-S399 VanDerWaalsContact OD2-OG 3.09Å; D363-K401 VanDerWaalsContact CG-CE 3.47Å; D363-K401 WeakPolarHBondContact OD2-CE 3.32Å; D363-K401 IonicContact OD2-NZ 3.43Å
364	I	83.8	Confident	81.9	Confident	9 Å²	9	53.7 Å²	53.7	5%	0.046	26%	0.263	C	S	.	.	S	Bend	trans	-115.6	169.5	169.5	61.1	169.3	0	0	0	110.6	V329 S362 Y367 K401 L406	V329-I364 HydrophobicContact CG2-CG1 4.43Å; S362-I364 VanDerWaalsContact C-N 3.28Å; S362-I364 VanDerWaalsContact CB-O 3.31Å; S362-I364 WeakPolarHBondContact CB-O 3.47Å; S362-I364 VanDerWaalsContact OG-CG1 3.29Å; S362-I364 WeakPolarHBondContact OG-CG1 3.28Å; S362-I364 PolarHBondContact OG-N 2.76Å; S362-I364 PolarHBondContact OG-O 2.92Å; I364-Y367 HydrophobicContact CD1-CE2 3.63Å; I364-Y367 WeakPolarHBondContact CD1-OH 3.45Å; I364-Y367 HydrophobicContact CG1-CE2 4.18Å; I364-K401 HydrophobicContact CG2-CB 4.33Å; I364-K401 HydrophobicContact CG2-CG 4.07Å; I364-L406 HydrophobicContact CD1-CD2 4.06Å
365	H	81.8	Confident	80.9	Confident	120 Å²	120	56.2 Å²	56.2	56%	0.556	27%	0.273	S	S	*	.			trans	-57	134.2	-179.9	178.5	88.2	0	0	0	111.6	K370	H365-K370 PolarHBondContact CD2-NZ 2.94Å; H365-K370 VanDerWaalsContact CD2-NZ 3.27Å; H365-K370 PolarHBondContact NE2-NZ 3.1Å
366	P	81.4	Confident	79.5	Confident	57 Å²	57	54.1 Å²	54.1	37%	0.37	27%	0.265	S	S	.	.			trans	-63.6	153.4	-176.1	25.3	-34.9	0	0	0	113	T359 K370	T359-P366 HydrophobicContact CG2-CB 4.2Å; P366-K370 PolarHBondContact O-NZ 3.28Å
367	Y	77	Confident	78.5	Confident	13 Å²	13	55.2 Å²	55.2	5%	0.051	27%	0.269	C	S	.	.			trans	-107.8	25.7	-178.9	-64.9	-100.5	0	0	0	112.6	I356 T359 I364 E369 K370 I372 Q404 T405 L406	I356-Y367 WeakPolarHBondContact CB-O 3.24Å; I356-Y367 VanDerWaalsContact CD1-CB 3.42Å; I356-Y367 HydrophobicContact CD1-CD2 4.48Å; I356-Y367 HydrophobicContact CD1-CG 3.99Å; I356-Y367 WeakPolarHBondContact CG2-O 3.46Å; T359-Y367 PolarHBondContact OG1-N 2.52Å; I364-Y367 HydrophobicContact CD1-CE2 3.63Å; I364-Y367 WeakPolarHBondContact CD1-OH 3.45Å; I364-Y367 HydrophobicContact CG1-CE2 4.18Å; Y367-E369 PolarHBondContact O-N 3.03Å; Y367-K370 HydrophobicContact CD1-CD 4.14Å; Y367-K370 WeakPolarHBondContact O-CB 3.4Å; Y367-K370 PolarHBondContact O-N 3.24Å; Y367-I372 HydrophobicContact CD1-CD1 3.85Å; Y367-I372 HydrophobicContact CD1-CG1 4.49Å; Y367-I372 HydrophobicContact CE1-CD1 4.08Å; Y367-I372 HydrophobicContact CG-CD1 4.33Å; Y367-Q404 VanDerWaalsContact OH-C 3.27Å; Y367-Q404 PolarHBondContact OH-O 2.8Å; Y367-T405 VanDerWaalsContact OH-CA 3.25Å; Y367-T405 WeakPolarHBondContact OH-CA 3.41Å; Y367-T405 PolarHBondContact OH-N 3.05Å; Y367-L406 HydrophobicContact CD2-CD1 4.18Å; Y367-L406 HydrophobicContact CD2-CD2 4.35Å; Y367-L406 HydrophobicContact CD2-CG 4.26Å; Y367-L406 HydrophobicContact CE2-CD1 4.13Å; Y367-L406 HydrophobicContact CE2-CD2 3.78Å; Y367-L406 HydrophobicContact CE2-CG 3.7Å; Y367-L406 PolarHBondContact OH-N 2.56Å
368	D	82.2	Confident	76.8	Confident	68 Å²	68	55.2 Å²	55.2	36%	0.364	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	129.2	-176.1	-69.8	18.8	0	0	0	110.5	T359 K370	T359-D368 WeakPolarHBondContact CA-OD1 3.32Å; T359-D368 WeakPolarHBondContact CB-OD1 3.46Å; T359-D368 PolarHBondContact N-OD1 3.12Å; T359-D368 PolarHBondContact OG1-OD1 2.69Å; D368-K370 PolarHBondContact O-N 2.9Å; D368-K370 VanDerWaalsContact O-N 3.12Å
369	E	80.9	Confident	75.3	Confident	148 Å²	148	51.4 Å²	51.4	69%	0.692	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	6.3	-178.2	-54.4	-179.5	170.7	0	0	115.6	H355 I356 Y367	H355-E369 PolarHBondContact CD2-O 3.37Å; H355-E369 WeakPolarHBondContact NE2-CA 3.23Å; H355-E369 WeakPolarHBondContact NE2-CB 3.3Å; H355-E369 PolarHBondContact NE2-O 2.98Å; I356-E369 VanDerWaalsContact O-CA 3.28Å; I356-E369 WeakPolarHBondContact O-CA 3.43Å; I356-E369 PolarHBondContact O-N 2.86Å; Y367-E369 PolarHBondContact O-N 3.03Å
370	K	78.9	Confident	73.8	Confident	77 Å²	77	56.2 Å²	56.2	34%	0.335	28%	0.278	S	S	.	.			trans	-83.8	142.4	178	-58.1	-179.3	-169.6	153.1	0	112.1	H355 I356 H365 P366 Y367 D368	H355-K370 PolarHBondContact CD2-O 3.02Å; I356-K370 PolarHBondContact N-O 2.82Å; H365-K370 PolarHBondContact CD2-NZ 2.94Å; H365-K370 VanDerWaalsContact CD2-NZ 3.27Å; H365-K370 PolarHBondContact NE2-NZ 3.1Å; P366-K370 PolarHBondContact O-NZ 3.28Å; Y367-K370 HydrophobicContact CD1-CD 4.14Å; Y367-K370 WeakPolarHBondContact O-CB 3.4Å; Y367-K370 PolarHBondContact O-N 3.24Å; D368-K370 PolarHBondContact O-N 2.9Å; D368-K370 VanDerWaalsContact O-N 3.12Å
371	M	73.1	Confident	72.6	Confident	76 Å²	76	51.7 Å²	51.7	37%	0.374	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	127.6	167.3	-68.7	-57.3	-53.2	0	0	109.4	R353 H355	R353-M371 HydrophobicContact CG-CE 3.51Å; H355-M371 HydrophobicContact CB-CE 4.12Å; H355-M371 HydrophobicContact CB-SD 3.44Å; H355-M371 WeakPolarHBondContact CB-SD 3.5Å; H355-M371 PolarHBondContact CD2-SD 3.28Å
372	I	73.6	Confident	71.7	Confident	11 Å²	11	49.6 Å²	49.6	6%	0.056	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131.9	168.7	-60.8	-170.9	0	0	0	108.7	R353 F354 I356 Y367 L406	R353-I372 WeakPolarHBondContact CA-O 3.41Å; F354-I372 HydrophobicContact CD1-CB 4.49Å; F354-I372 HydrophobicContact CD2-CB 4.32Å; F354-I372 HydrophobicContact CE1-CB 3.98Å; F354-I372 HydrophobicContact CE1-CG2 3.77Å; F354-I372 HydrophobicContact CE2-CB 3.82Å; F354-I372 HydrophobicContact CE2-CD1 4.09Å; F354-I372 HydrophobicContact CE2-CG1 4.29Å; F354-I372 HydrophobicContact CE2-CG2 4.27Å; F354-I372 HydrophobicContact CZ-CB 3.63Å; F354-I372 HydrophobicContact CZ-CD1 4.14Å; F354-I372 HydrophobicContact CZ-CG1 4.39Å; F354-I372 HydrophobicContact CZ-CG2 3.57Å; F354-I372 PolarHBondContact N-O 3.26Å; F354-I372 PolarHBondContact O-N 3.26Å; I356-I372 HydrophobicContact CD1-CD1 3.47Å; I356-I372 VanDerWaalsContact CD1-CD1 3.47Å; I356-I372 HydrophobicContact CD1-CG1 4.13Å; I356-I372 HydrophobicContact CG1-CD1 4.4Å; Y367-I372 HydrophobicContact CD1-CD1 3.85Å; Y367-I372 HydrophobicContact CD1-CG1 4.49Å; Y367-I372 HydrophobicContact CE1-CD1 4.08Å; Y367-I372 HydrophobicContact CG-CD1 4.33Å; I372-L406 HydrophobicContact CD1-CD1 3.73Å; I372-L406 HydrophobicContact CD1-CG 4.47Å
373	L	67.1	Low	71.1	Confident	46 Å²	46	48.4 Å²	48.4	24%	0.241	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.4	164.2	-178.5	67.4	0	0	0	107	L339 L351 R353	L339-L373 HydrophobicContact CD1-CD1 3.79Å; L351-L373 HydrophobicContact CB-CD1 4.21Å; L351-L373 HydrophobicContact CD2-CD1 3.99Å; L351-L373 HydrophobicContact CD2-CD2 4.27Å; L351-L373 HydrophobicContact CD2-CG 3.92Å; R353-L373 HydrophobicContact CB-CD1 4.17Å
374	T	67.2	Low	70	Confident	5 Å²	5	46.7 Å²	46.7	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	135.8	177.1	-166.7	0	0	0	0	112.2	L351 F352 F354 S376 I408	L351-T374 CarbonylContact C-O 3.57Å; L351-T374 VanDerWaalsContact CA-O 3.29Å; L351-T374 WeakPolarHBondContact CA-O 3.44Å; F352-T374 HydrophobicContact CB-CG2 4.02Å; F352-T374 PolarHBondContact N-O 3.32Å; F352-T374 PolarHBondContact O-N 2.64Å; F354-T374 HydrophobicContact CD1-CG2 4.39Å; F354-T374 HydrophobicContact CE1-CG2 3.74Å; T374-S376 WeakPolarHBondContact OG1-CB 3.29Å; T374-S376 PolarHBondContact OG1-N 3.25Å; T374-S376 PolarHBondContact OG1-OG 2.81Å; T374-I408 HydrophobicContact CG2-CD1 4.04Å
375	Y	62.9	Low	69.2	Low	60 Å²	60	50.6 Å²	50.6	24%	0.235	25%	0.254	C	S	.	.			trans	-99.9	-2	160.6	66.9	-86.6	0	0	0	111.3	I25 S26 S27 W377	I25-Y375 WeakPolarHBondContact O-CE1 3.44Å; I25-Y375 PolarHBondContact O-OH 2.85Å; S26-Y375 WeakPolarHBondContact CA-OH 3.38Å; S27-Y375 PolarHBondContact N-OH 2.84Å; S27-Y375 PolarHBondContact O-OH 3.07Å; Y375-W377 PolarHBondContact O-N 2.63Å
376	S	55.4	Low	68.9	Low	19 Å²	19	47.8 Å²	47.8	13%	0.133	24%	0.241	C	C	.	.			trans	-76.3	36.7	179.5	71.8	0	0	0	0	113	T374 I408	T374-S376 WeakPolarHBondContact OG1-CB 3.29Å; T374-S376 PolarHBondContact OG1-N 3.25Å; T374-S376 PolarHBondContact OG1-OG 2.81Å; S376-I408 VanDerWaalsContact O-O 3.11Å
377	W	67	Low	68.5	Low	23 Å²	23	45.2 Å²	45.2	9%	0.087	22%	0.224	C	C	.	.			trans	-67.9	125.8	167.7	-155.6	-102	0	0	0	108	M312 F313 P350 F352 Y375 L379 I387 I408 F414	M312-W377 HydrophobicContact CE-CH2 4.18Å; M312-W377 HydrophobicContact CE-CZ2 3.72Å; F313-W377 HydrophobicContact CE2-CH2 4.36Å; F313-W377 AromaticContact CE2-CZ2 3.92Å; F313-W377 HydrophobicContact CE2-CZ2 3.92Å; F313-W377 AromaticContact CZ-CH2 3.91Å; F313-W377 HydrophobicContact CZ-CH2 3.91Å; F313-W377 AromaticContact CZ-CZ2 3.89Å; F313-W377 HydrophobicContact CZ-CZ2 3.89Å; P350-W377 HydrophobicContact CG-CB 4.21Å; F352-W377 HydrophobicContact CD2-CB 3.99Å; F352-W377 AromaticContact CD2-CD2 3.64Å; F352-W377 HydrophobicContact CD2-CD2 3.64Å; F352-W377 AromaticContact CD2-CE3 3.32Å; F352-W377 HydrophobicContact CD2-CE3 3.32Å; F352-W377 AromaticContact CD2-CG 3.93Å; F352-W377 HydrophobicContact CD2-CG 3.93Å; F352-W377 HydrophobicContact CD2-CZ3 4.05Å; F352-W377 HydrophobicContact CE2-CB 3.76Å; F352-W377 AromaticContact CE2-CD2 3.32Å; F352-W377 HydrophobicContact CE2-CD2 3.32Å; F352-W377 AromaticContact CE2-CE2 3.98Å; F352-W377 AromaticContact CE2-CE3 3.53Å; F352-W377 HydrophobicContact CE2-CE3 3.53Å; F352-W377 AromaticContact CE2-CG 3.41Å; F352-W377 HydrophobicContact CE2-CG 3.41Å; F352-W377 VanDerWaalsContact CE2-CG 3.41Å; F352-W377 HydrophobicContact CE2-CZ3 4.3Å; F352-W377 HydrophobicContact CG-CE3 4Å; F352-W377 HydrophobicContact CG-CZ3 4.31Å; F352-W377 HydrophobicContact CZ-CD2 4.13Å; F352-W377 HydrophobicContact CZ-CE3 4.37Å; F352-W377 HydrophobicContact CZ-CG 4.39Å; Y375-W377 PolarHBondContact O-N 2.63Å; W377-L379 PolarHBondContact O-N 2.82Å; W377-I387 HydrophobicContact CH2-CD1 3.71Å; W377-I387 HydrophobicContact CH2-CG1 4.39Å; W377-I387 HydrophobicContact CZ2-CD1 3.4Å; W377-I387 VanDerWaalsContact CZ2-CD1 3.4Å; W377-I387 HydrophobicContact CZ2-CG1 4.3Å; W377-I387 HydrophobicContact CZ3-CD1 4.46Å; W377-I408 HydrophobicContact CE3-CG2 4.41Å; W377-I408 HydrophobicContact CZ3-CG2 4.5Å; W377-F414 HydrophobicContact CH2-CD2 4.16Å; W377-F414 HydrophobicContact CH2-CE1 4.43Å; W377-F414 AromaticContact CH2-CE2 3.47Å; W377-F414 HydrophobicContact CH2-CE2 3.47Å; W377-F414 VanDerWaalsContact CH2-CE2 3.47Å; W377-F414 AromaticContact CH2-CZ 3.63Å; W377-F414 HydrophobicContact CH2-CZ 3.63Å; W377-F414 HydrophobicContact CZ2-CE2 4.26Å; W377-F414 HydrophobicContact CZ3-CE1 4.5Å; W377-F414 AromaticContact CZ3-CE2 3.96Å; W377-F414 HydrophobicContact CZ3-CE2 3.96Å; W377-F414 AromaticContact CZ3-CZ 3.68Å; W377-F414 HydrophobicContact CZ3-CZ 3.68Å
378	P	56	Low	68.5	Low	48 Å²	48	48 Å²	48	31%	0.312	24%	0.239	S	C	.	.	S	Bend	trans	-72.5	-6.1	-166.8	29.5	-39.4	0	0	0	114.6	M312 T409 K410	M312-P378 HydrophobicContact CE-CG 3.51Å; M312-P378 HydrophobicContact SD-CG 3.66Å; P378-T409 VanDerWaalsContact CG-C 3.43Å; P378-T409 WeakPolarHBondContact CG-O 3.37Å; P378-K410 HydrophobicContact CB-CB 4.27Å
379	L	58	Low	68	Low	18 Å²	18	47.7 Å²	47.7	9%	0.094	24%	0.24	C	C	.	.	S	Bend	trans	-114.4	140.8	-172.4	-66.6	173.1	0	0	0	109.9	I305 T308 M312 W377 C381	I305-L379 HydrophobicContact CG2-CD1 4.42Å; T308-L379 HydrophobicContact CG2-CD1 4.37Å; T308-L379 HydrophobicContact CG2-CD2 3.69Å; T308-L379 HydrophobicContact CG2-CG 4.33Å; M312-L379 HydrophobicContact SD-CD1 4.06Å; M312-L379 HydrophobicContact SD-CG 4.41Å; W377-L379 PolarHBondContact O-N 2.82Å; L379-C381 WeakPolarHBondContact CB-O 3.4Å; L379-C381 PolarHBondContact O-N 3.18Å; L379-C381 VanDerWaalsContact O-N 3.17Å
380	Q	57.8	Low	67.8	Low	118 Å²	118	42 Å²	42	55%	0.551	22%	0.221	S	C	*	.	S	Bend	trans	-64.2	-13.9	169	-57.5	-179.4	31.1	0	0	111.9	G300	G300-Q380 PolarHBondContact O-OE1 2.9Å
381	C	62.5	Low	68.1	Low	16 Å²	16	41.5 Å²	41.5	11%	0.108	22%	0.219	C	C	.	.	S	Bend	trans	-141.8	162.2	-179.1	-65.4	0	0	0	0	111.5	C301 I305 L379	C301-C381 WeakPolarHBondContact CA-SG 3.45Å; C301-C381 HydrophobicContact CB-CB 4.13Å; C301-C381 WeakPolarHBondContact CB-SG 3.4Å; C301-C381 WeakPolarHBondContact SG-CB 3.37Å; C301-C381 CovalentContact SG-SG 2.03Å; C301-C381 PolarHBondContact SG-SG 3.45Å; I305-C381 HydrophobicContact CD1-CB 3.54Å; I305-C381 HydrophobicContact CG1-CB 4.38Å; L379-C381 WeakPolarHBondContact CB-O 3.4Å; L379-C381 PolarHBondContact O-N 3.18Å; L379-C381 VanDerWaalsContact O-N 3.17Å
382	I	67.2	Low	69	Low	21 Å²	21	43.2 Å²	43.2	11%	0.108	22%	0.224	C	C	.	.			trans	-102.3	148.6	-169.1	-62.1	157.6	0	0	0	112.4	W340 P350 F352 I384 I387	W340-I382 HydrophobicContact CH2-CD1 3.25Å; W340-I382 HydrophobicContact CZ3-CD1 3.26Å; P350-I382 HydrophobicContact CB-CD1 3.69Å; P350-I382 HydrophobicContact CB-CG1 4.08Å; P350-I382 HydrophobicContact CG-CD1 3.9Å; P350-I382 HydrophobicContact CG-CG1 3.76Å; F352-I382 HydrophobicContact CZ-CD1 4.3Å; F352-I382 HydrophobicContact CZ-CG1 4.12Å; F352-I382 HydrophobicContact CZ-CG2 4.09Å; I382-I384 HydrophobicContact CB-CG1 3.95Å; I382-I384 HydrophobicContact CG2-CG1 4.06Å; I382-I384 PolarHBondContact O-N 2.74Å; I382-I387 HydrophobicContact CG2-CD1 3.73Å
383	C	74.4	Confident	69.9	Low	4 Å²	4	42.7 Å²	42.7	3%	0.027	22%	0.221	C	C	.	.			trans	-76.2	73	163.6	-47.4	0	0	0	0	109.7	C309 F313 D385 E386 I387	C309-C383 WeakPolarHBondContact CA-SG 3.3Å; C309-C383 HydrophobicContact CB-CB 3.82Å; C309-C383 WeakPolarHBondContact CB-SG 3.37Å; C309-C383 WeakPolarHBondContact SG-CA 3.03Å; C309-C383 WeakPolarHBondContact SG-CB 3.43Å; C309-C383 CovalentContact SG-SG 2.04Å; C309-C383 PolarHBondContact SG-SG 3.24Å; F313-C383 HydrophobicContact CD2-CB 3.98Å; F313-C383 HydrophobicContact CE2-CB 3.78Å; C383-D385 VanDerWaalsContact C-N 3.29Å; C383-D385 PolarHBondContact O-N 2.59Å; C383-E386 HydrophobicContact CB-CB 4.06Å; C383-E386 PolarHBondContact O-N 3.34Å; C383-I387 PolarHBondContact O-N 2.83Å
384	I	61.6	Low	71.3	Confident	23 Å²	23	40.5 Å²	40.5	12%	0.118	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-36.6	-165.1	-70.8	168.3	0	0	0	113.2	Y294 I382 E386	Y294-I384 HydrophobicContact CD1-CD1 3.78Å; Y294-I384 HydrophobicContact CE1-CD1 3.16Å; I382-I384 HydrophobicContact CB-CG1 3.95Å; I382-I384 HydrophobicContact CG2-CG1 4.06Å; I382-I384 PolarHBondContact O-N 2.74Å; I384-E386 VanDerWaalsContact C-N 3.35Å
385	D	66.6	Low	72.5	Confident	91 Å²	91	40.3 Å²	40.3	49%	0.487	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-15.2	-179	-54.5	-50.7	0	0	0	113.2	R285 C383	R285-D385 IonicContact CZ-OD1 2.69Å; R285-D385 IonicContact NH2-OD1 2.56Å; R285-D385 PolarHBondContact NH2-OD1 2.7Å; C383-D385 VanDerWaalsContact C-N 3.29Å; C383-D385 PolarHBondContact O-N 2.59Å
386	E	75.6	Confident	74	Confident	62 Å²	62	37.5 Å²	37.5	29%	0.29	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-24.6	-175.6	-76.6	-63.7	164	0	0	113.8	F313 C383 I384 Y393	F313-E386 HydrophobicContact CB-CB 3.98Å; F313-E386 HydrophobicContact CB-CG 3.63Å; F313-E386 HydrophobicContact CD1-CB 3.63Å; F313-E386 HydrophobicContact CD1-CG 4.24Å; F313-E386 HydrophobicContact CD2-CB 3.81Å; F313-E386 HydrophobicContact CD2-CG 4.2Å; F313-E386 HydrophobicContact CE1-CB 3.98Å; F313-E386 HydrophobicContact CE2-CB 4.17Å; F313-E386 HydrophobicContact CG-CB 3.53Å; F313-E386 HydrophobicContact CG-CG 3.78Å; F313-E386 HydrophobicContact CZ-CB 4.25Å; C383-E386 HydrophobicContact CB-CB 4.06Å; C383-E386 PolarHBondContact O-N 3.34Å; I384-E386 VanDerWaalsContact C-N 3.35Å; E386-Y393 PolarHBondContact O-OH 3.37Å
387	I	73.9	Confident	75.7	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.015	19%	0.191	C	C	.	.			trans	-96.9	102.8	-179	-63.6	176	0	0	0	110.4	M277 F313 I335 T338 F352 W377 I382 C383	M277-I387 WeakPolarHBondContact CE-O 3.05Å; F313-I387 HydrophobicContact CE1-CG1 4.25Å; F313-I387 HydrophobicContact CE2-CG1 4.38Å; F313-I387 HydrophobicContact CZ-CD1 4.23Å; F313-I387 HydrophobicContact CZ-CG1 3.64Å; I335-I387 HydrophobicContact CD1-CB 4.32Å; I335-I387 HydrophobicContact CD1-CG2 3.57Å; I335-I387 HydrophobicContact CG2-CG2 4.27Å; T338-I387 HydrophobicContact CG2-CG2 4.35Å; F352-I387 HydrophobicContact CD1-CD1 4.33Å; F352-I387 HydrophobicContact CD1-CG2 4.14Å; F352-I387 HydrophobicContact CE1-CB 4.49Å; F352-I387 HydrophobicContact CE1-CD1 3.46Å; F352-I387 VanDerWaalsContact CE1-CD1 3.46Å; F352-I387 HydrophobicContact CE1-CG1 4.48Å; F352-I387 HydrophobicContact CE1-CG2 3.66Å; F352-I387 HydrophobicContact CE2-CD1 4.36Å; F352-I387 HydrophobicContact CZ-CD1 3.47Å; F352-I387 VanDerWaalsContact CZ-CD1 3.47Å; W377-I387 HydrophobicContact CH2-CD1 3.71Å; W377-I387 HydrophobicContact CH2-CG1 4.39Å; W377-I387 HydrophobicContact CZ2-CD1 3.4Å; W377-I387 VanDerWaalsContact CZ2-CD1 3.4Å; W377-I387 HydrophobicContact CZ2-CG1 4.3Å; W377-I387 HydrophobicContact CZ3-CD1 4.46Å; I382-I387 HydrophobicContact CG2-CD1 3.73Å; C383-I387 PolarHBondContact O-N 2.83Å
388	I	76.2	Confident	76.7	Confident	70 Å²	70	38.1 Å²	38.1	36%	0.359	20%	0.199	S	C	.	.			trans	-113	124.8	179.6	-49.5	-179.3	0	0	0	109.4	K391 Y393	I388-K391 HydrophobicContact CB-CB 3.98Å; I388-K391 HydrophobicContact CB-CD 3.91Å; I388-K391 HydrophobicContact CD1-CD 3.87Å; I388-K391 HydrophobicContact CG1-CD 4.13Å; I388-K391 HydrophobicContact CG2-CB 4.39Å; I388-K391 WeakPolarHBondContact O-CB 3.31Å; I388-K391 PolarHBondContact O-N 2.84Å; I388-Y393 PolarHBondContact N-OH 2.9Å; I388-Y393 VanDerWaalsContact N-OH 3.1Å
389	V	72.5	Confident	78	Confident	63 Å²	63	36.7 Å²	36.7	38%	0.382	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	140.9	175.4	-179.1	0	0	0	0	110	T338 K391	T338-V389 HydrophobicContact CG2-CG2 4.48Å; V389-K391 PolarHBondContact O-N 3.28Å
390	G	75.8	Confident	79.1	Confident	29 Å²	29	40.9 Å²	40.9	30%	0.299	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-19.8	-175.3	0	0	0	0	0	115.3	R334 I335	R334-G390 WeakPolarHBondContact CG-O 3.49Å; R334-G390 PolarHBondContact NE-O 3.38Å; I335-G390 WeakPolarHBondContact O-CA 3.42Å; I335-G390 PolarHBondContact O-N 2.86Å
391	K	86	Confident	80	Confident	65 Å²	65	41.6 Å²	41.6	28%	0.283	21%	0.21	S	C	.	.			trans	-72.6	146.2	179.2	-176.1	170.4	156.9	-157.8	0	111.1	R334 I335 I388 V389 Y393	R334-K391 WeakPolarHBondContact CA-O 3.44Å; I335-K391 PolarHBondContact N-O 2.95Å; I388-K391 HydrophobicContact CB-CB 3.98Å; I388-K391 HydrophobicContact CB-CD 3.91Å; I388-K391 HydrophobicContact CD1-CD 3.87Å; I388-K391 HydrophobicContact CG1-CD 4.13Å; I388-K391 HydrophobicContact CG2-CB 4.39Å; I388-K391 WeakPolarHBondContact O-CB 3.31Å; I388-K391 PolarHBondContact O-N 2.84Å; V389-K391 PolarHBondContact O-N 3.28Å; K391-Y393 HydrophobicContact CB-CE2 3.75Å; K391-Y393 HydrophobicContact CD-CE1 4.43Å; K391-Y393 HydrophobicContact CD-CE2 4.11Å; K391-Y393 VanDerWaalsContact CD-OH 3.29Å; K391-Y393 WeakPolarHBondContact CD-OH 3.47Å; K391-Y393 WeakPolarHBondContact CE-OH 3.26Å; K391-Y393 HydrophobicContact CG-CD2 4.41Å; K391-Y393 HydrophobicContact CG-CE2 3.68Å; K391-Y393 PolarHBondContact NZ-OH 3.2Å
392	K	91.8	Very high	80.2	Confident	113 Å²	113	45.7 Å²	45.7	49%	0.491	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	138.8	178.1	-60.3	-176.7	-177.3	-174	0	110.1	I333 R334 L357 V418	I333-K392 CarbonylContact O-C 3.47Å; I333-K392 VanDerWaalsContact O-CA 3.26Å; I333-K392 WeakPolarHBondContact O-CA 3.32Å; R334-K392 HydrophobicContact CB-CG 4.38Å; R334-K392 HydrophobicContact CG-CG 4.34Å; L357-K392 HydrophobicContact CD1-CD 3.61Å; L357-K392 HydrophobicContact CD1-CG 3.93Å; K392-V418 HydrophobicContact CB-CG2 4Å; K392-V418 VanDerWaalsContact O-CG2 3.3Å; K392-V418 WeakPolarHBondContact O-CG2 3.42Å
393	Y	93.4	Very high	80.4	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.8	176.8	-60.2	-103.6	0	0	0	109.3	F313 V332 I333 I335 E386 I388 K391 F414	F313-Y393 HydrophobicContact CD1-CE1 4.26Å; F313-Y393 HydrophobicContact CE1-CD1 4.39Å; F313-Y393 HydrophobicContact CE1-CE1 4.05Å; V332-Y393 CarbonylContact C-O 3.56Å; V332-Y393 WeakPolarHBondContact CA-O 3.26Å; I333-Y393 PolarHBondContact N-O 3.35Å; I333-Y393 PolarHBondContact O-N 3.22Å; I335-Y393 HydrophobicContact CD1-CD2 4.02Å; I335-Y393 HydrophobicContact CD1-CE2 3.6Å; I335-Y393 HydrophobicContact CG1-CD2 4.12Å; I335-Y393 HydrophobicContact CG1-CE2 4Å; E386-Y393 PolarHBondContact O-OH 3.37Å; I388-Y393 PolarHBondContact N-OH 2.9Å; I388-Y393 VanDerWaalsContact N-OH 3.1Å; K391-Y393 HydrophobicContact CB-CE2 3.75Å; K391-Y393 HydrophobicContact CD-CE1 4.43Å; K391-Y393 HydrophobicContact CD-CE2 4.11Å; K391-Y393 VanDerWaalsContact CD-OH 3.29Å; K391-Y393 WeakPolarHBondContact CD-OH 3.47Å; K391-Y393 WeakPolarHBondContact CE-OH 3.26Å; K391-Y393 HydrophobicContact CG-CD2 4.41Å; K391-Y393 HydrophobicContact CG-CE2 3.68Å; K391-Y393 PolarHBondContact NZ-OH 3.2Å; Y393-F414 HydrophobicContact CD1-CB 4.06Å
394	L	94.8	Very high	80.4	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	104.6	163.5	169.3	60.7	0	0	0	106.9	V332 L396 L415 V418 T422 L425	V332-L394 HydrophobicContact CG2-CB 4.46Å; V332-L394 HydrophobicContact CG2-CD1 4.07Å; L394-L396 HydrophobicContact CD1-CD2 4.09Å; L394-L396 HydrophobicContact CD2-CD2 4.46Å; L394-L396 HydrophobicContact CG-CD2 3.96Å; L394-L415 HydrophobicContact CB-CB 4.21Å; L394-L415 HydrophobicContact CD2-CD1 4.43Å; L394-L415 PolarHBondContact N-O 3.21Å; L394-L415 PolarHBondContact O-N 3.05Å; L394-V418 HydrophobicContact CB-CG1 4.48Å; L394-T422 HydrophobicContact CD1-CG2 4.15Å; L394-T422 HydrophobicContact CD2-CG2 3.79Å; L394-T422 HydrophobicContact CG-CG2 4.42Å; L394-L425 HydrophobicContact CD1-CD1 4.22Å; L394-L425 HydrophobicContact CD2-CD1 3.52Å; L394-L425 HydrophobicContact CD2-CG 4.36Å; L394-L425 HydrophobicContact CG-CD1 4.26Å
395	M	93.1	Very high	81	Confident	1 Å²	1	55 Å²	55	1%	0.005	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	130.1	176.9	-177.1	178.4	71.5	0	0	109.4	S330 A331 I333 F354 T397 L406 I408 T412 V413 F414	S330-M395 WeakPolarHBondContact CA-O 3.46Å; A331-M395 PolarHBondContact N-O 3Å; A331-M395 PolarHBondContact O-N 2.81Å; I333-M395 HydrophobicContact CD1-CB 4.14Å; I333-M395 HydrophobicContact CD1-SD 4.17Å; I333-M395 HydrophobicContact CG1-CB 4.3Å; I333-M395 HydrophobicContact CG2-CB 4.02Å; I333-M395 HydrophobicContact CG2-CE 3.99Å; I333-M395 HydrophobicContact CG2-SD 4.34Å; F354-M395 HydrophobicContact CE2-CE 4.2Å; M395-T397 HydrophobicContact CE-CG2 4.13Å; M395-L406 HydrophobicContact CE-CD1 3.85Å; M395-I408 HydrophobicContact SD-CD1 4.21Å; M395-T412 HydrophobicContact CG-CG2 3.86Å; M395-T412 HydrophobicContact SD-CG2 4.37Å; M395-V413 CarbonylContact C-O 3.6Å; M395-V413 WeakPolarHBondContact CA-O 3.35Å; M395-F414 HydrophobicContact CB-CD1 4.08Å; M395-F414 HydrophobicContact CB-CE1 4.08Å; M395-F414 HydrophobicContact CG-CD1 4.03Å; M395-F414 HydrophobicContact CG-CE1 3.62Å; M395-F414 HydrophobicContact CG-CZ 4.22Å; M395-F414 HydrophobicContact SD-CE1 3.66Å; M395-F414 HydrophobicContact SD-CZ 4.12Å
396	L	93.8	Very high	81.5	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.4	172.9	-46.7	178.9	0	0	0	107.1	Y317 W322 F327 V329 L394 T412 V413 L415 L425	Y317-L396 HydrophobicContact CD1-CD1 4.38Å; Y317-L396 HydrophobicContact CE1-CD1 3.86Å; W322-L396 HydrophobicContact CE3-CD1 3.98Å; W322-L396 HydrophobicContact CZ3-CD1 4.07Å; W322-L396 HydrophobicContact CZ3-CD2 4.04Å; W322-L396 HydrophobicContact CZ3-CG 4.45Å; F327-L396 HydrophobicContact CD1-CB 4.24Å; F327-L396 HydrophobicContact CD2-CB 3.54Å; F327-L396 HydrophobicContact CD2-CD1 4.14Å; F327-L396 HydrophobicContact CD2-CG 4.45Å; F327-L396 HydrophobicContact CE1-CB 4.3Å; F327-L396 WeakPolarHBondContact CE1-O 3.5Å; F327-L396 HydrophobicContact CE2-CB 3.56Å; F327-L396 HydrophobicContact CE2-CD1 4.01Å; F327-L396 HydrophobicContact CE2-CG 4.45Å; F327-L396 HydrophobicContact CG-CB 3.87Å; F327-L396 HydrophobicContact CZ-CB 3.98Å; V329-L396 WeakPolarHBondContact O-CA 3.25Å; L394-L396 HydrophobicContact CD1-CD2 4.09Å; L394-L396 HydrophobicContact CD2-CD2 4.46Å; L394-L396 HydrophobicContact CG-CD2 3.96Å; L396-T412 WeakPolarHBondContact O-CA 3.39Å; L396-T412 WeakPolarHBondContact O-CG2 3.36Å; L396-V413 HydrophobicContact CB-CB 4.37Å; L396-V413 HydrophobicContact CD1-CG1 4.5Å; L396-V413 PolarHBondContact N-O 3.47Å; L396-V413 PolarHBondContact O-N 2.98Å; L396-L415 HydrophobicContact CD1-CD1 3.78Å; L396-L415 HydrophobicContact CD1-CG 4.48Å; L396-L415 HydrophobicContact CG-CD1 4.41Å; L396-L425 HydrophobicContact CD2-CD1 3.8Å
397	T	91.3	Very high	81.5	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	170.5	-171	-150.2	0	0	0	0	111.6	T328 V329 M395 L406 H407 T412	T328-T397 PolarHBondContact N-O 2.98Å; V329-T397 HydrophobicContact CB-CG2 4.11Å; V329-T397 PolarHBondContact N-O 3.24Å; V329-T397 PolarHBondContact O-N 2.96Å; M395-T397 HydrophobicContact CE-CG2 4.13Å; T397-L406 HydrophobicContact CG2-CB 4.48Å; T397-L406 HydrophobicContact CG2-CD2 4.24Å; T397-H407 PolarHBondContact OG1-O 3.24Å; T397-T412 WeakPolarHBondContact OG1-CG2 3.38Å; T397-T412 PolarHBondContact OG1-OG1 2.93Å
398	H	88.8	Confident	81.8	Confident	55 Å²	55	51.9 Å²	51.9	26%	0.255	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	150.5	171.9	-51.9	86.9	0	0	0	110.9	S325 N326 F327 T328 H407	S325-H398 PolarHBondContact O-NE2 3.42Å; N326-H398 PolarHBondContact O-CD2 3.16Å; F327-H398 AromaticContact CD1-CE1 3.46Å; F327-H398 VanDerWaalsContact CD1-CE1 3.46Å; F327-H398 WeakPolarHBondContact CD1-CE1 3.33Å; F327-H398 AromaticContact CD1-ND1 3.9Å; F327-H398 AromaticContact CD1-NE2 3.72Å; F327-H398 AromaticContact CE1-CE1 3.55Å; T328-H398 WeakPolarHBondContact OG1-CA 3.41Å; H398-H407 PolarHBondContact O-N 3.34Å
399	S	83.9	Confident	82	Confident	19 Å²	19	49.6 Å²	49.6	13%	0.133	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	163.6	176.6	55.8	0	0	0	0	110.4	T328 D363 T405	T328-S399 PolarHBondContact OG1-N 3.26Å; T328-S399 PolarHBondContact OG1-OG 3.12Å; D363-S399 WeakPolarHBondContact OD1-CB 3.43Å; D363-S399 PolarHBondContact OD1-OG 3.44Å; D363-S399 PolarHBondContact OD2-OG 2.97Å; D363-S399 VanDerWaalsContact OD2-OG 3.09Å; S399-T405 WeakPolarHBondContact CA-O 3.05Å
400	F	80.2	Confident	82.5	Confident	106 Å²	106	52.8 Å²	52.8	47%	0.465	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	96.8	166.6	-161.5	-109.5	0	0	0	109.3	S402 R403 Q404 T405	F400-S402 VanDerWaalsContact C-N 3.3Å; F400-S402 WeakPolarHBondContact CD1-OG 3.28Å; F400-S402 WeakPolarHBondContact CE1-OG 3.5Å; F400-S402 PolarHBondContact O-N 3.39Å; F400-R403 HydrophobicContact CD1-CB 3.93Å; F400-R403 HydrophobicContact CD1-CG 3.68Å; F400-R403 HydrophobicContact CE1-CG 3.95Å; F400-R403 PolarHBondContact O-N 3.36Å; F400-R403 VanDerWaalsContact O-N 3.1Å; F400-Q404 PolarHBondContact O-N 3.36Å; F400-Q404 VanDerWaalsContact O-N 3.12Å; F400-T405 PolarHBondContact N-O 3.47Å
401	K	77.3	Confident	82.9	Confident	133 Å²	133	55.4 Å²	55.4	58%	0.578	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-44	-170.4	-71.1	-174.1	179	-177.2	0	114.2	D363 I364 R403 Q404	D363-K401 VanDerWaalsContact CG-CE 3.47Å; D363-K401 WeakPolarHBondContact OD2-CE 3.32Å; D363-K401 IonicContact OD2-NZ 3.43Å; I364-K401 HydrophobicContact CG2-CB 4.33Å; I364-K401 HydrophobicContact CG2-CG 4.07Å; K401-R403 VanDerWaalsContact C-N 3.3Å; K401-R403 PolarHBondContact O-N 3.21Å; K401-Q404 PolarHBondContact O-N 2.84Å; K401-Q404 PolarHBondContact O-NE2 3.29Å
402	S	66.8	Low	83.1	Confident	102 Å²	102	52.3 Å²	52.3	71%	0.713	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-18.4	-175.5	53.4	0	0	0	0	114.5	F400	F400-S402 VanDerWaalsContact C-N 3.3Å; F400-S402 WeakPolarHBondContact CD1-OG 3.28Å; F400-S402 WeakPolarHBondContact CE1-OG 3.5Å; F400-S402 PolarHBondContact O-N 3.39Å
403	R	70.4	Confident	83.2	Confident	136 Å²	136	47.2 Å²	47.2	51%	0.513	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-8.4	174.7	-66.2	-179.8	-178.4	-168.9	1.2	113.8	S26 F400 K401 T405	S26-R403 PolarHBondContact O-NH1 2.97Å; F400-R403 HydrophobicContact CD1-CB 3.93Å; F400-R403 HydrophobicContact CD1-CG 3.68Å; F400-R403 HydrophobicContact CE1-CG 3.95Å; F400-R403 PolarHBondContact O-N 3.36Å; F400-R403 VanDerWaalsContact O-N 3.1Å; K401-R403 VanDerWaalsContact C-N 3.3Å; K401-R403 PolarHBondContact O-N 3.21Å; R403-T405 VanDerWaalsContact C-N 3.33Å; R403-T405 HydrophobicContact CB-CG2 3.89Å
404	Q	75.2	Confident	83.2	Confident	89 Å²	89	47.5 Å²	47.5	42%	0.416	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	54.9	-168.8	-59.4	-70.2	-62.9	0	0	110.6	Y367 F400 K401	Y367-Q404 VanDerWaalsContact OH-C 3.27Å; Y367-Q404 PolarHBondContact OH-O 2.8Å; F400-Q404 PolarHBondContact O-N 3.36Å; F400-Q404 VanDerWaalsContact O-N 3.12Å; K401-Q404 PolarHBondContact O-N 2.84Å; K401-Q404 PolarHBondContact O-NE2 3.29Å
405	T	73.3	Confident	83.2	Confident	19 Å²	19	47.5 Å²	47.5	12%	0.117	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144.1	-179.6	53.7	0	0	0	0	111.4	I25 Y367 S399 F400 R403	I25-T405 HydrophobicContact CB-CG2 4.48Å; I25-T405 HydrophobicContact CD1-CG2 4.16Å; I25-T405 HydrophobicContact CG1-CG2 3.98Å; I25-T405 HydrophobicContact CG2-CG2 3.88Å; Y367-T405 VanDerWaalsContact OH-CA 3.25Å; Y367-T405 WeakPolarHBondContact OH-CA 3.41Å; Y367-T405 PolarHBondContact OH-N 3.05Å; S399-T405 WeakPolarHBondContact CA-O 3.05Å; F400-T405 PolarHBondContact N-O 3.47Å; R403-T405 VanDerWaalsContact C-N 3.33Å; R403-T405 HydrophobicContact CB-CG2 3.89Å
406	L	76.3	Confident	83.1	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	134	167.4	-59	179.7	0	0	0	109.9	V329 I356 I364 Y367 I372 M395 T397	V329-L406 HydrophobicContact CB-CD2 4.09Å; V329-L406 HydrophobicContact CG1-CD2 3.82Å; V329-L406 HydrophobicContact CG2-CD2 3.74Å; I356-L406 HydrophobicContact CD1-CD1 3.72Å; I364-L406 HydrophobicContact CD1-CD2 4.06Å; Y367-L406 HydrophobicContact CD2-CD1 4.18Å; Y367-L406 HydrophobicContact CD2-CD2 4.35Å; Y367-L406 HydrophobicContact CD2-CG 4.26Å; Y367-L406 HydrophobicContact CE2-CD1 4.13Å; Y367-L406 HydrophobicContact CE2-CD2 3.78Å; Y367-L406 HydrophobicContact CE2-CG 3.7Å; Y367-L406 PolarHBondContact OH-N 2.56Å; I372-L406 HydrophobicContact CD1-CD1 3.73Å; I372-L406 HydrophobicContact CD1-CG 4.47Å; M395-L406 HydrophobicContact CE-CD1 3.85Å; T397-L406 HydrophobicContact CG2-CB 4.48Å; T397-L406 HydrophobicContact CG2-CD2 4.24Å
407	H	76.6	Confident	83	Confident	77 Å²	77	57.1 Å²	57.1	36%	0.356	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	107.6	175.3	-163.8	-138.5	0	0	0	108.3	T397 H398 T409	T397-H407 PolarHBondContact OG1-O 3.24Å; H398-H407 PolarHBondContact O-N 3.34Å; H407-T409 WeakPolarHBondContact CE1-CG2 3.39Å; H407-T409 WeakPolarHBondContact ND1-CG2 3.47Å
408	I	79.9	Confident	83.1	Confident	7 Å²	7	58.4 Å²	58.4	4%	0.036	28%	0.281	C	S	.	.			trans	-85.7	121.9	172.3	-56.9	-174.7	0	0	0	107	F354 T374 S376 W377 M395 T412 F414	F354-I408 HydrophobicContact CE1-CD1 3.9Å; F354-I408 HydrophobicContact CZ-CD1 3.93Å; T374-I408 HydrophobicContact CG2-CD1 4.04Å; S376-I408 VanDerWaalsContact O-O 3.11Å; W377-I408 HydrophobicContact CE3-CG2 4.41Å; W377-I408 HydrophobicContact CZ3-CG2 4.5Å; M395-I408 HydrophobicContact SD-CD1 4.21Å; I408-T412 WeakPolarHBondContact CA-OG1 3.44Å; I408-T412 HydrophobicContact CG2-CG2 4.1Å; I408-F414 HydrophobicContact CG2-CZ 4.24Å
409	T	81.4	Confident	83.1	Confident	23 Å²	23	64.5 Å²	64.5	14%	0.141	30%	0.302	C	S	.	.			trans	-131.9	176	-177.7	68.9	0	0	0	0	109.9	P378 H407 D411 T412	P378-T409 VanDerWaalsContact CG-C 3.43Å; P378-T409 WeakPolarHBondContact CG-O 3.37Å; H407-T409 WeakPolarHBondContact CE1-CG2 3.39Å; H407-T409 WeakPolarHBondContact ND1-CG2 3.47Å; T409-D411 PolarHBondContact O-N 2.81Å; T409-D411 VanDerWaalsContact O-N 3.08Å; T409-D411 PolarHBondContact OG1-N 2.79Å; T409-T412 PolarHBondContact N-OG1 3.39Å; T409-T412 VanDerWaalsContact O-CB 3.26Å; T409-T412 WeakPolarHBondContact O-CB 3.3Å; T409-T412 PolarHBondContact O-N 2.94Å; T409-T412 PolarHBondContact O-OG1 3.3Å
410	K	81.3	Confident	83.5	Confident	130 Å²	130	68.8 Å²	68.8	57%	0.565	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-18.3	171.9	64.3	178.1	-174.1	175.3	0	113.5	T308 M312 P378	T308-K410 HydrophobicContact CG2-CB 3.87Å; M312-K410 WeakPolarHBondContact CG-O 3.34Å; P378-K410 HydrophobicContact CB-CB 4.27Å
411	D	86.3	Confident	84.1	Confident	83 Å²	83	63.9 Å²	63.9	44%	0.444	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-6.4	178.1	-49.3	-61.3	0	0	0	112.6	F327 T409	F327-D411 VanDerWaalsContact CE1-O 3.24Å; F327-D411 WeakPolarHBondContact CE1-O 3.4Å; F327-D411 VanDerWaalsContact CZ-O 3.28Å; F327-D411 WeakPolarHBondContact CZ-O 3.29Å; T409-D411 PolarHBondContact O-N 2.81Å; T409-D411 VanDerWaalsContact O-N 3.08Å; T409-D411 PolarHBondContact OG1-N 2.79Å
412	T	90	Very high	84.7	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.271	C	S	.	.			trans	-69.6	127.6	174.6	-59.2	0	0	0	0	110.8	M312 M395 L396 T397 I408 T409 F414	M312-T412 WeakPolarHBondContact CA-O 3.26Å; M312-T412 WeakPolarHBondContact CG-O 3.41Å; M395-T412 HydrophobicContact CG-CG2 3.86Å; M395-T412 HydrophobicContact SD-CG2 4.37Å; L396-T412 WeakPolarHBondContact O-CA 3.39Å; L396-T412 WeakPolarHBondContact O-CG2 3.36Å; T397-T412 WeakPolarHBondContact OG1-CG2 3.38Å; T397-T412 PolarHBondContact OG1-OG1 2.93Å; I408-T412 WeakPolarHBondContact CA-OG1 3.44Å; I408-T412 HydrophobicContact CG2-CG2 4.1Å; T409-T412 PolarHBondContact N-OG1 3.39Å; T409-T412 VanDerWaalsContact O-CB 3.26Å; T409-T412 WeakPolarHBondContact O-CB 3.3Å; T409-T412 PolarHBondContact O-N 2.94Å; T409-T412 PolarHBondContact O-OG1 3.3Å; T412-F414 HydrophobicContact CG2-CD2 4.28Å; T412-F414 HydrophobicContact CG2-CE1 4.33Å; T412-F414 HydrophobicContact CG2-CE2 3.58Å; T412-F414 HydrophobicContact CG2-CZ 3.61Å
413	V	93.5	Very high	85.7	Confident	6 Å²	6	60.6 Å²	60.6	4%	0.036	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.3	-175.4	174	0	0	0	0	111.3	M312 P314 Y317 F327 M395 L396 L415	M312-V413 CarbonylContact O-C 3.47Å; M312-V413 WeakPolarHBondContact O-CA 3.49Å; P314-V413 HydrophobicContact CG-CG1 3.69Å; Y317-V413 HydrophobicContact CD2-CG1 4.08Å; Y317-V413 HydrophobicContact CE2-CG1 4.04Å; Y317-V413 HydrophobicContact CE2-CG2 4.24Å; F327-V413 HydrophobicContact CE2-CB 4.43Å; F327-V413 HydrophobicContact CE2-CG2 4.34Å; F327-V413 HydrophobicContact CZ-CB 4.09Å; F327-V413 HydrophobicContact CZ-CG2 3.79Å; M395-V413 CarbonylContact C-O 3.6Å; M395-V413 WeakPolarHBondContact CA-O 3.35Å; L396-V413 HydrophobicContact CB-CB 4.37Å; L396-V413 HydrophobicContact CD1-CG1 4.5Å; L396-V413 PolarHBondContact N-O 3.47Å; L396-V413 PolarHBondContact O-N 2.98Å; V413-L415 HydrophobicContact CG1-CD2 3.56Å; V413-L415 HydrophobicContact CG1-CG 3.89Å
414	F	92.9	Very high	86.7	Confident	6 Å²	6	57.2 Å²	57.2	3%	0.026	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	104.2	-179.6	-64	-84.5	0	0	0	111.1	M312 F313 I333 W377 Y393 M395 I408 T412	M312-F414 HydrophobicContact CE-CD2 4.31Å; M312-F414 HydrophobicContact CE-CE2 3.75Å; M312-F414 PolarHBondContact O-N 3.45Å; F313-F414 HydrophobicContact CD1-CB 3.61Å; F313-F414 HydrophobicContact CD1-CG 4.42Å; F313-F414 HydrophobicContact CE1-CB 3.42Å; F313-F414 VanDerWaalsContact CE1-CB 3.42Å; F313-F414 AromaticContact CE1-CD2 3.98Å; F313-F414 HydrophobicContact CE1-CD2 3.98Å; F313-F414 AromaticContact CE1-CG 3.82Å; F313-F414 HydrophobicContact CE1-CG 3.82Å; F313-F414 HydrophobicContact CE2-CD2 4.18Å; F313-F414 HydrophobicContact CG-CB 4.44Å; F313-F414 HydrophobicContact CZ-CB 4.1Å; F313-F414 AromaticContact CZ-CD2 3.74Å; F313-F414 HydrophobicContact CZ-CD2 3.74Å; F313-F414 HydrophobicContact CZ-CE2 4.42Å; F313-F414 HydrophobicContact CZ-CG 4.03Å; I333-F414 HydrophobicContact CD1-CD1 3.89Å; I333-F414 HydrophobicContact CD1-CE1 3.65Å; W377-F414 HydrophobicContact CH2-CD2 4.16Å; W377-F414 HydrophobicContact CH2-CE1 4.43Å; W377-F414 AromaticContact CH2-CE2 3.47Å; W377-F414 HydrophobicContact CH2-CE2 3.47Å; W377-F414 VanDerWaalsContact CH2-CE2 3.47Å; W377-F414 AromaticContact CH2-CZ 3.63Å; W377-F414 HydrophobicContact CH2-CZ 3.63Å; W377-F414 HydrophobicContact CZ2-CE2 4.26Å; W377-F414 HydrophobicContact CZ3-CE1 4.5Å; W377-F414 AromaticContact CZ3-CE2 3.96Å; W377-F414 HydrophobicContact CZ3-CE2 3.96Å; W377-F414 AromaticContact CZ3-CZ 3.68Å; W377-F414 HydrophobicContact CZ3-CZ 3.68Å; Y393-F414 HydrophobicContact CD1-CB 4.06Å; M395-F414 HydrophobicContact CB-CD1 4.08Å; M395-F414 HydrophobicContact CB-CE1 4.08Å; M395-F414 HydrophobicContact CG-CD1 4.03Å; M395-F414 HydrophobicContact CG-CE1 3.62Å; M395-F414 HydrophobicContact CG-CZ 4.22Å; M395-F414 HydrophobicContact SD-CE1 3.66Å; M395-F414 HydrophobicContact SD-CZ 4.12Å; I408-F414 HydrophobicContact CG2-CZ 4.24Å; T412-F414 HydrophobicContact CG2-CD2 4.28Å; T412-F414 HydrophobicContact CG2-CE1 4.33Å; T412-F414 HydrophobicContact CG2-CE2 3.58Å; T412-F414 HydrophobicContact CG2-CZ 3.61Å
415	L	94.4	Very high	87.3	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	105.8	-175.8	-58.2	179.1	0	0	0	111.7	P314 Y317 L394 L396 V413 R417 Y421	P314-L415 HydrophobicContact CG-CD2 3.84Å; Y317-L415 HydrophobicContact CD1-CD1 3.97Å; Y317-L415 HydrophobicContact CD2-CD2 4.31Å; Y317-L415 HydrophobicContact CG-CD1 4.15Å; Y317-L415 HydrophobicContact CG-CD2 3.95Å; L394-L415 HydrophobicContact CB-CB 4.21Å; L394-L415 HydrophobicContact CD2-CD1 4.43Å; L394-L415 PolarHBondContact N-O 3.21Å; L394-L415 PolarHBondContact O-N 3.05Å; L396-L415 HydrophobicContact CD1-CD1 3.78Å; L396-L415 HydrophobicContact CD1-CG 4.48Å; L396-L415 HydrophobicContact CG-CD1 4.41Å; V413-L415 HydrophobicContact CG1-CD2 3.56Å; V413-L415 HydrophobicContact CG1-CG 3.89Å; L415-R417 PolarHBondContact O-N 2.99Å; L415-Y421 HydrophobicContact CB-CD2 3.63Å; L415-Y421 HydrophobicContact CB-CE2 4.1Å; L415-Y421 HydrophobicContact CB-CG 4.09Å; L415-Y421 HydrophobicContact CD1-CD1 3.91Å; L415-Y421 HydrophobicContact CD1-CD2 4.04Å; L415-Y421 HydrophobicContact CD1-CE1 4.44Å; L415-Y421 HydrophobicContact CD1-CG 3.68Å; L415-Y421 HydrophobicContact CD2-CE2 4.28Å; L415-Y421 HydrophobicContact CG-CD2 4.27Å; L415-Y421 HydrophobicContact CG-CG 4.41Å
416	S	91.8	Very high	88	Confident	50 Å²	50	54.3 Å²	54.3	35%	0.35	25%	0.245	S	C	.	.	S	Bend	trans	-61.1	-35	-177.6	60.8	0	0	0	0	114.4	V418	S416-V418 PolarHBondContact O-N 3.39Å
417	R	91.7	Very high	88.6	Confident	153 Å²	153	56.5 Å²	56.5	58%	0.577	26%	0.26	S	S	*	.			trans	-82.7	58.2	179.6	-59.3	-170	-172.3	-167	5.8	112.4	L415 R419 R420 Y421	L415-R417 PolarHBondContact O-N 2.99Å; R417-R419 PolarHBondContact O-N 3.32Å; R417-R420 HydrophobicContact CB-CB 4.04Å; R417-R420 WeakPolarHBondContact O-CA 3.46Å; R417-R420 WeakPolarHBondContact O-CB 3.4Å; R417-R420 PolarHBondContact O-N 3.12Å; R417-Y421 HydrophobicContact CB-CD2 3.91Å; R417-Y421 HydrophobicContact CB-CE2 3.92Å; R417-Y421 WeakPolarHBondContact O-CD2 3.45Å; R417-Y421 PolarHBondContact O-N 3.27Å; R417-Y421 VanDerWaalsContact O-N 3.13Å
418	V	92.3	Very high	89.1	Confident	26 Å²	26	55 Å²	55	16%	0.158	25%	0.252	C	S	.	.	H	α-helix	trans	-39.9	-59.7	-172.5	-175.8	0	0	0	0	113.5	V332 K392 L394 S416 R420 Y421 T422	V332-V418 HydrophobicContact CB-CG1 4.41Å; V332-V418 HydrophobicContact CG1-CG1 3.88Å; V332-V418 HydrophobicContact CG2-CG1 3.57Å; K392-V418 HydrophobicContact CB-CG2 4Å; K392-V418 VanDerWaalsContact O-CG2 3.3Å; K392-V418 WeakPolarHBondContact O-CG2 3.42Å; L394-V418 HydrophobicContact CB-CG1 4.48Å; S416-V418 PolarHBondContact O-N 3.39Å; V418-R420 PolarHBondContact O-N 3.19Å; V418-Y421 PolarHBondContact O-N 3Å; V418-Y421 VanDerWaalsContact O-N 3.11Å; V418-T422 HydrophobicContact CG1-CG2 4.07Å; V418-T422 WeakPolarHBondContact O-CG2 3.47Å; V418-T422 PolarHBondContact O-N 3.39Å; V418-T422 PolarHBondContact O-OG1 3.13Å; V418-T422 VanDerWaalsContact O-OG1 3.11Å
419	R	90.7	Very high	89.3	Confident	184 Å²	184	59.1 Å²	59.1	69%	0.694	27%	0.269	S	S	*	.	H	α-helix	trans	-60.4	-28.6	-177.3	-170	-177	-172.6	-168.6	6.8	114	R417 R423	R417-R419 PolarHBondContact O-N 3.32Å; R419-R423 WeakPolarHBondContact O-CD 3.49Å; R419-R423 WeakPolarHBondContact O-CG 3.35Å
420	R	91	Very high	89.4	Confident	109 Å²	109	61.1 Å²	61.1	41%	0.411	29%	0.294	S	S	.	.	H	α-helix	trans	-75.2	-44.9	176.6	-170.7	-173.3	-168.5	-164.8	6.8	110	R417 V418 K424	R417-R420 HydrophobicContact CB-CB 4.04Å; R417-R420 WeakPolarHBondContact O-CA 3.46Å; R417-R420 WeakPolarHBondContact O-CB 3.4Å; R417-R420 PolarHBondContact O-N 3.12Å; V418-R420 PolarHBondContact O-N 3.19Å; R420-K424 PolarHBondContact O-N 3.11Å; R420-K424 VanDerWaalsContact O-N 3.16Å
421	Y	92.9	Very high	89	Confident	3 Å²	3	57.9 Å²	57.9	1%	0.012	29%	0.292	C	S	.	.	H	α-helix	trans	-81.9	-34.8	-173	-71	-66.3	0	0	0	113.5	T315 L316 Y317 L415 R417 V418 R423 K424 L425	T315-Y421 PolarHBondContact O-OH 3.13Å; L316-Y421 WeakPolarHBondContact CA-OH 3.47Å; Y317-Y421 PolarHBondContact N-OH 3.48Å; L415-Y421 HydrophobicContact CB-CD2 3.63Å; L415-Y421 HydrophobicContact CB-CE2 4.1Å; L415-Y421 HydrophobicContact CB-CG 4.09Å; L415-Y421 HydrophobicContact CD1-CD1 3.91Å; L415-Y421 HydrophobicContact CD1-CD2 4.04Å; L415-Y421 HydrophobicContact CD1-CE1 4.44Å; L415-Y421 HydrophobicContact CD1-CG 3.68Å; L415-Y421 HydrophobicContact CD2-CE2 4.28Å; L415-Y421 HydrophobicContact CG-CD2 4.27Å; L415-Y421 HydrophobicContact CG-CG 4.41Å; R417-Y421 HydrophobicContact CB-CD2 3.91Å; R417-Y421 HydrophobicContact CB-CE2 3.92Å; R417-Y421 WeakPolarHBondContact O-CD2 3.45Å; R417-Y421 PolarHBondContact O-N 3.27Å; R417-Y421 VanDerWaalsContact O-N 3.13Å; V418-Y421 PolarHBondContact O-N 3Å; V418-Y421 VanDerWaalsContact O-N 3.11Å; Y421-R423 VanDerWaalsContact C-N 3.31Å; Y421-R423 PolarHBondContact O-N 3.48Å; Y421-K424 HydrophobicContact CD1-CD 3.96Å; Y421-K424 HydrophobicContact CE1-CD 4.19Å; Y421-K424 PolarHBondContact O-N 2.82Å; Y421-K424 VanDerWaalsContact O-N 3.13Å; Y421-L425 WeakPolarHBondContact O-CG 3.28Å; Y421-L425 PolarHBondContact O-N 2.91Å
422	T	90.2	Very high	88.2	Confident	16 Å²	16	56.9 Å²	56.9	10%	0.098	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-39.8	172.3	54.2	0	0	0	0	111.8	V332 Y360 L394 V418 L425 A426	V332-T422 HydrophobicContact CG2-CG2 3.91Å; Y360-T422 HydrophobicContact CD2-CG2 4.33Å; Y360-T422 HydrophobicContact CE1-CG2 4.18Å; Y360-T422 HydrophobicContact CE2-CG2 3.82Å; L394-T422 HydrophobicContact CD1-CG2 4.15Å; L394-T422 HydrophobicContact CD2-CG2 3.79Å; L394-T422 HydrophobicContact CG-CG2 4.42Å; V418-T422 HydrophobicContact CG1-CG2 4.07Å; V418-T422 WeakPolarHBondContact O-CG2 3.47Å; V418-T422 PolarHBondContact O-N 3.39Å; V418-T422 PolarHBondContact O-OG1 3.13Å; V418-T422 VanDerWaalsContact O-OG1 3.11Å; T422-L425 PolarHBondContact O-N 3.19Å; T422-A426 PolarHBondContact O-N 3.19Å
423	R	88.7	Confident	86.5	Confident	150 Å²	150	60.3 Å²	60.3	57%	0.566	31%	0.312	S	S	*	.	H	α-helix	trans	-62.6	-44.2	171	-74.5	178.2	172.2	176.4	-4.1	112.7	R419 Y421 C427	R419-R423 WeakPolarHBondContact O-CD 3.49Å; R419-R423 WeakPolarHBondContact O-CG 3.35Å; Y421-R423 VanDerWaalsContact C-N 3.31Å; Y421-R423 PolarHBondContact O-N 3.48Å; R423-C427 WeakPolarHBondContact O-CB 3.43Å; R423-C427 PolarHBondContact O-N 2.89Å
424	K	90.6	Very high	84.7	Confident	64 Å²	64	67.8 Å²	67.8	28%	0.278	35%	0.351	S	S	.	.	H	α-helix	trans	-62.4	-44.2	176.1	-81.3	-177.9	163.5	-163.7	0	112.1	R420 Y421 C427 W428	R420-K424 PolarHBondContact O-N 3.11Å; R420-K424 VanDerWaalsContact O-N 3.16Å; Y421-K424 HydrophobicContact CD1-CD 3.96Å; Y421-K424 HydrophobicContact CE1-CD 4.19Å; Y421-K424 PolarHBondContact O-N 2.82Å; Y421-K424 VanDerWaalsContact O-N 3.13Å; K424-C427 CarbonylContact O-C 3.58Å; K424-C427 WeakPolarHBondContact O-CA 2.98Å; K424-C427 VanDerWaalsContact O-CB 3.28Å; K424-C427 WeakPolarHBondContact O-CB 3.46Å; K424-C427 PolarHBondContact O-N 2.96Å; K424-C427 VanDerWaalsContact O-N 3.13Å; K424-W428 HydrophobicContact CB-CD2 4.4Å; K424-W428 HydrophobicContact CB-CH2 4.19Å; K424-W428 HydrophobicContact CB-CZ2 3.9Å; K424-W428 HydrophobicContact CD-CH2 4.16Å; K424-W428 HydrophobicContact CD-CZ2 3.79Å; K424-W428 HydrophobicContact CG-CZ2 4.19Å; K424-W428 PolarHBondContact O-N 3.08Å
425	L	88.6	Confident	82.6	Confident	9 Å²	9	79.1 Å²	79.1	5%	0.047	39%	0.393	C	S	.	.	H	α-helix	trans	-61.4	-48.1	177.4	-72.6	178.5	0	0	0	111.8	W322 L394 L396 Y421 T422 C427 W428 K429	W322-L425 HydrophobicContact CD2-CD2 3.64Å; W322-L425 HydrophobicContact CE3-CD2 3.52Å; W322-L425 HydrophobicContact CG-CD2 4.28Å; W322-L425 HydrophobicContact CH2-CD2 4.25Å; W322-L425 HydrophobicContact CZ2-CD2 4.35Å; W322-L425 HydrophobicContact CZ3-CD2 3.83Å; L394-L425 HydrophobicContact CD1-CD1 4.22Å; L394-L425 HydrophobicContact CD2-CD1 3.52Å; L394-L425 HydrophobicContact CD2-CG 4.36Å; L394-L425 HydrophobicContact CG-CD1 4.26Å; L396-L425 HydrophobicContact CD2-CD1 3.8Å; Y421-L425 WeakPolarHBondContact O-CG 3.28Å; Y421-L425 PolarHBondContact O-N 2.91Å; T422-L425 PolarHBondContact O-N 3.19Å; L425-C427 PolarHBondContact O-N 3.05Å; L425-W428 HydrophobicContact CD2-CE3 3.93Å; L425-W428 HydrophobicContact CD2-CZ3 4.15Å; L425-W428 PolarHBondContact O-N 3.11Å; L425-K429 WeakPolarHBondContact O-CB 3.49Å; L425-K429 WeakPolarHBondContact O-CG 3.41Å; L425-K429 PolarHBondContact O-N 2.88Å
426	A	86.7	Confident	80	Confident	39 Å²	39	82.3 Å²	82.3	32%	0.322	42%	0.416	S	S	.	.	H	α-helix	trans	-54.7	-41.6	173.4	0	0	0	0	0	110.9	T422 K429 G430 A431	T422-A426 PolarHBondContact O-N 3.19Å; A426-K429 PolarHBondContact O-N 3.39Å; A426-G430 PolarHBondContact O-N 3.37Å; A426-A431 HydrophobicContact CB-CB 4.45Å; A426-A431 CarbonylContact O-C 3.49Å; A426-A431 WeakPolarHBondContact O-CA 3.35Å; A426-A431 WeakPolarHBondContact O-CB 3.04Å; A426-A431 PolarHBondContact O-N 3.47Å
427	C	88.5	Confident	78.1	Confident	51 Å²	51	85.6 Å²	85.6	35%	0.345	44%	0.439	S	S	.	.	H	α-helix	trans	-65.1	-46.2	176.8	-148.9	0	0	0	0	113.6	R423 K424 L425 K429 G430 C432	R423-C427 WeakPolarHBondContact O-CB 3.43Å; R423-C427 PolarHBondContact O-N 2.89Å; K424-C427 CarbonylContact O-C 3.58Å; K424-C427 WeakPolarHBondContact O-CA 2.98Å; K424-C427 VanDerWaalsContact O-CB 3.28Å; K424-C427 WeakPolarHBondContact O-CB 3.46Å; K424-C427 PolarHBondContact O-N 2.96Å; K424-C427 VanDerWaalsContact O-N 3.13Å; L425-C427 PolarHBondContact O-N 3.05Å; C427-K429 PolarHBondContact O-N 3.47Å; C427-G430 PolarHBondContact O-N 3.32Å; C427-C432 VanDerWaalsContact CA-SG 3.52Å; C427-C432 HydrophobicContact CB-CB 3.78Å; C427-C432 WeakPolarHBondContact CB-SG 3.49Å; C427-C432 WeakPolarHBondContact SG-CB 3.39Å; C427-C432 CovalentContact SG-SG 2.04Å; C427-C432 PolarHBondContact SG-SG 3.4Å
428	W	88.2	Confident	76.1	Confident	45 Å²	45	89 Å²	89	17%	0.17	45%	0.452	C	S	.	.	H	α-helix	trans	-67.7	-23.3	-179.4	-61.5	-20.3	0	0	0	113.2	Y317 T318 R319 W322 K424 L425	Y317-W428 HydrophobicContact CD1-CH2 4.41Å; Y317-W428 HydrophobicContact CD1-CZ3 4.24Å; Y317-W428 HydrophobicContact CE1-CZ3 4.49Å; T318-W428 VanDerWaalsContact C-CH2 3.41Å; R319-W428 HydrophobicContact CB-CD2 3.93Å; R319-W428 HydrophobicContact CB-CE3 4.49Å; R319-W428 HydrophobicContact CB-CG 4.2Å; R319-W428 HydrophobicContact CB-CZ2 4.03Å; R319-W428 HydrophobicContact CG-CB 4.23Å; R319-W428 HydrophobicContact CG-CD2 3.91Å; R319-W428 HydrophobicContact CG-CG 3.72Å; R319-W428 PolarHBondContact NH2-O 2.88Å; W322-W428 HydrophobicContact CB-CE3 3.8Å; W322-W428 HydrophobicContact CB-CZ3 3.78Å; W322-W428 AromaticContact CG-CE3 3.88Å; W322-W428 HydrophobicContact CG-CE3 3.88Å; W322-W428 HydrophobicContact CG-CZ3 4.27Å; K424-W428 HydrophobicContact CB-CD2 4.4Å; K424-W428 HydrophobicContact CB-CH2 4.19Å; K424-W428 HydrophobicContact CB-CZ2 3.9Å; K424-W428 HydrophobicContact CD-CH2 4.16Å; K424-W428 HydrophobicContact CD-CZ2 3.79Å; K424-W428 HydrophobicContact CG-CZ2 4.19Å; K424-W428 PolarHBondContact O-N 3.08Å; L425-W428 HydrophobicContact CD2-CE3 3.93Å; L425-W428 HydrophobicContact CD2-CZ3 4.15Å; L425-W428 PolarHBondContact O-N 3.11Å
429	K	84.4	Confident	73.6	Confident	93 Å²	93	93 Å²	93	40%	0.404	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	5	171.7	-68.6	-177.2	169.7	-170.7	0	114.4	D361 L425 A426 C427 A431	D361-K429 IonicContact OD2-NZ 3.78Å; D361-K429 PolarHBondContact OD2-NZ 3.04Å; L425-K429 WeakPolarHBondContact O-CB 3.49Å; L425-K429 WeakPolarHBondContact O-CG 3.41Å; L425-K429 PolarHBondContact O-N 2.88Å; A426-K429 PolarHBondContact O-N 3.39Å; C427-K429 PolarHBondContact O-N 3.47Å; K429-A431 VanDerWaalsContact C-N 3.32Å; K429-A431 PolarHBondContact O-N 2.82Å
430	G	82	Confident	71.4	Confident	65 Å²	65	96.5 Å²	96.5	67%	0.67	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-7.8	178.5	0	0	0	0	0	115.6	A426 C427 C432	A426-G430 PolarHBondContact O-N 3.37Å; C427-G430 PolarHBondContact O-N 3.32Å; G430-C432 PolarHBondContact O-N 3.16Å
431	A	73.7	Confident	69.1	Low	63 Å²	63	102.7 Å²	102.7	52%	0.521	51%	0.509	S	S	.	.			trans	-79.9	27.3	176	0	0	0	0	0	113.4	A426 K429 T433	A426-A431 HydrophobicContact CB-CB 4.45Å; A426-A431 CarbonylContact O-C 3.49Å; A426-A431 WeakPolarHBondContact O-CA 3.35Å; A426-A431 WeakPolarHBondContact O-CB 3.04Å; A426-A431 PolarHBondContact O-N 3.47Å; K429-A431 VanDerWaalsContact C-N 3.32Å; K429-A431 PolarHBondContact O-N 2.82Å; A431-T433 PolarHBondContact O-N 3.13Å
432	C	68.6	Low	66.5	Low	62 Å²	62	112.7 Å²	112.7	42%	0.419	55%	0.547	S	S	.	.			trans	-80.4	109.1	178.2	-135.8	0	0	0	0	109.9	C427 G430 L434	C427-C432 VanDerWaalsContact CA-SG 3.52Å; C427-C432 HydrophobicContact CB-CB 3.78Å; C427-C432 WeakPolarHBondContact CB-SG 3.49Å; C427-C432 WeakPolarHBondContact SG-CB 3.39Å; C427-C432 CovalentContact SG-SG 2.04Å; C427-C432 PolarHBondContact SG-SG 3.4Å; G430-C432 PolarHBondContact O-N 3.16Å; C432-L434 PolarHBondContact O-N 3.03Å
433	T	55.7	Low	63.9	Low	72 Å²	72	117.2 Å²	117.2	44%	0.442	58%	0.579	S	S	.	*			trans	-63.8	112.9	159	48.2	0	0	0	0	108.7	A431 R435 Y444	A431-T433 PolarHBondContact O-N 3.13Å; T433-R435 PolarHBondContact O-N 3.36Å; T433-Y444 HydrophobicContact CG2-CD1 3.83Å; T433-Y444 HydrophobicContact CG2-CE1 3.19Å; T433-Y444 VanDerWaalsContact OG1-CE1 3.27Å; T433-Y444 WeakPolarHBondContact OG1-CE1 3.27Å; T433-Y444 PolarHBondContact OG1-OH 2.91Å
434	L	55	Low	61.7	Low	163 Å²	163	117.7 Å²	117.7	85%	0.853	58%	0.581	S	S	*	*			trans	-48.5	125.3	153.9	-74.2	160.2	0	0	0	107.6	C432 S436	C432-L434 PolarHBondContact O-N 3.03Å; L434-S436 PolarHBondContact O-N 3.42Å
435	R	48.8	Very low	59	Low	243 Å²	243	122.1 Å²	122.1	92%	0.917	61%	0.608	S	S	*	*			trans	-69.5	75.2	167.1	-94.8	-176.3	160.5	-167.8	-6.4	108.1	T433 S437	T433-R435 PolarHBondContact O-N 3.36Å; R435-S437 PolarHBondContact O-N 2.88Å
436	S	40.3	Very low	56.7	Low	68 Å²	68	128.5 Å²	128.5	48%	0.476	64%	0.641	S	S	.	*			trans	-58.9	120.2	157.4	174.5	0	0	0	0	107	L434 R438 N439	L434-S436 PolarHBondContact O-N 3.42Å; S436-R438 PolarHBondContact O-N 2.04Å; S436-R438 PolarHBondContact OG-N 3.06Å; S436-N439 PolarHBondContact O-N 3.04Å
437	S	51.2	Low	54.3	Low	119 Å²	119	134.2 Å²	134.2	83%	0.832	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-16.9	177.8	50	0	0	0	0	112.8	R435	R435-S437 PolarHBondContact O-N 2.88Å
438	R	49.3	Very low	51.7	Low	225 Å²	225	136.5 Å²	136.5	85%	0.849	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.1	-4.3	-173.9	-67.9	-177.7	173.2	168.4	-2.1	115.9	S436	S436-R438 PolarHBondContact O-N 2.04Å; S436-R438 PolarHBondContact OG-N 3.06Å
439	N	41	Very low	49.1	Very low	111 Å²	111	140.3 Å²	140.3	59%	0.594	70%	0.701	S	S	*	*			trans	-126.6	76.1	-174.9	-103.5	-43.5	0	0	0	114.3	S436 R441	S436-N439 PolarHBondContact O-N 3.04Å; N439-R441 VanDerWaalsContact C-N 3.35Å; N439-R441 PolarHBondContact O-N 3.21Å
440	R	44.1	Very low	46.8	Very low	256 Å²	256	143.1 Å²	143.1	97%	0.966	72%	0.719	S	S	*	*			trans	-79.6	-4.1	180	-115.9	-179.8	-175.7	172.5	2.1	115.5
441	R	43	Very low	44.5	Very low	240 Å²	240	149.4 Å²	149.4	91%	0.906	73%	0.728	S	S	*	*			trans	-119.1	-7	-164.4	-84.7	-171.9	174.2	-179.9	-1.2	117.9	N439	N439-R441 VanDerWaalsContact C-N 3.35Å; N439-R441 PolarHBondContact O-N 3.21Å
442	R	37.5	Very low	42.6	Very low	213 Å²	213	154 Å²	154	80%	0.804	74%	0.743	S	S	*	*			trans	-87.4	117	178	-75.5	-171.3	175.9	-178.3	-0.5	111.9
443	S	37	Very low	41.1	Very low	110 Å²	110	161 Å²	161	77%	0.769	77%	0.766	S	S	*	*			trans	-64.6	156.7	168.5	43.7	0	0	0	0	111.3
444	Y	41.6	Very low	40.1	Very low	160 Å²	160	164.6 Å²	164.6	63%	0.627	78%	0.783	S	S	*	*			trans	-98.1	101.3	-172.6	-63.9	-121.6	0	0	0	109.1	T433 I446	T433-Y444 HydrophobicContact CG2-CD1 3.83Å; T433-Y444 HydrophobicContact CG2-CE1 3.19Å; T433-Y444 VanDerWaalsContact OG1-CE1 3.27Å; T433-Y444 WeakPolarHBondContact OG1-CE1 3.27Å; T433-Y444 PolarHBondContact OG1-OH 2.91Å; Y444-I446 PolarHBondContact O-N 2.78Å
445	N	33.7	Very low	39	Very low	157 Å²	157	164.4 Å²	164.4	84%	0.84	78%	0.783	S	S	*	*			trans	-74.8	114.6	157.7	-85.6	-9.7	0	0	0	108.1	Q447	N445-Q447 VanDerWaalsContact C-N 3.33Å; N445-Q447 PolarHBondContact O-N 3.47Å; N445-Q447 VanDerWaalsContact O-N 3.08Å
446	I	39.9	Very low	38.5	Very low	143 Å²	143	161.3 Å²	161.3	73%	0.733	78%	0.779	S	S	*	*			trans	-76.3	91.9	167.2	-60.8	173.9	0	0	0	106.2	Y444 S448	Y444-I446 PolarHBondContact O-N 2.78Å; I446-S448 PolarHBondContact O-N 3.2Å
447	Q	36.9	Very low	38.1	Very low	160 Å²	160	165.2 Å²	165.2	75%	0.748	79%	0.794	S	S	*	*			trans	-79.5	114.1	174.8	-155.3	171.4	18.7	0	0	108.7	N445 N449	N445-Q447 VanDerWaalsContact C-N 3.33Å; N445-Q447 PolarHBondContact O-N 3.47Å; N445-Q447 VanDerWaalsContact O-N 3.08Å; Q447-N449 VanDerWaalsContact C-N 3.27Å; Q447-N449 PolarHBondContact O-N 3.46Å
448	S	32.9	Very low	37.3	Very low	98 Å²	98	167.1 Å²	167.1	69%	0.685	80%	0.795	S	S	*	*			trans	-75.2	71.8	-176.7	53.8	0	0	0	0	111.9	I446 I450	I446-S448 PolarHBondContact O-N 3.2Å; S448-I450 PolarHBondContact O-N 3.04Å
449	N	34.9	Very low	36.7	Very low	126 Å²	126	166.6 Å²	166.6	67%	0.674	80%	0.799	S	S	*	*			trans	-78.8	75.3	173.6	-84.2	-19.1	0	0	0	111.7	Q447 K451	Q447-N449 VanDerWaalsContact C-N 3.27Å; Q447-N449 PolarHBondContact O-N 3.46Å; N449-K451 PolarHBondContact O-N 3.39Å
450	I	36.3	Very low	36.2	Very low	152 Å²	152	171.2 Å²	171.2	78%	0.779	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	98.8	154.3	-60.1	163.9	0	0	0	107.1	S448	S448-I450 PolarHBondContact O-N 3.04Å
451	K	33.8	Very low	35.8	Very low	196 Å²	196	166.9 Å²	166.9	85%	0.852	81%	0.809	S	S	*	*	T	Hydrogen-bonded Turn	trans	-179.2	-5.7	159.6	-105	158.3	-170.9	-174.5	0	118.5	N449	N449-K451 PolarHBondContact O-N 3.39Å
452	L	33.9	Very low	35.6	Very low	160 Å²	160	169 Å²	169	84%	0.838	83%	0.825	S	S	*	*	S	Bend	trans	-104.2	20.5	-167.7	-85.9	166	0	0	0	117.8
453	F	36	Very low	35.5	Very low	208 Å²	208	166.8 Å²	166.8	91%	0.912	83%	0.826	S	S	*	*	S	Bend	trans	-131.3	61.1	167.9	-84.3	-80.2	0	0	0	110.8
454	N	34.2	Very low	35.4	Very low	149 Å²	149	169.8 Å²	169.8	80%	0.797	83%	0.829	S	S	*	*			trans	-149.4	19.2	173.5	-113.8	18.4	0	0	0	113.9
455	N	33.3	Very low	35.1	Very low	158 Å²	158	170.3 Å²	170.3	85%	0.845	84%	0.84	S	S	*	*			trans	-117.5	62	175.6	-78.7	11	0	0	0	111.2
456	H	37.1	Very low	35.1	Very low	179 Å²	179	171.1 Å²	171.1	83%	0.829	84%	0.84	S	S	*	*	S	Bend	trans	-141	126.5	154.2	-100.4	-71.7	0	0	0	105.8
457	N	33.5	Very low	34.9	Very low	150 Å²	150	172.9 Å²	172.9	80%	0.802	85%	0.847	S	S	*	*	S	Bend	trans	83.3	81.1	-162.8	-48.1	-18.8	0	0	0	113.4
458	D	34.6	Very low	34.7	Very low	158 Å²	158	173.7 Å²	173.7	85%	0.845	85%	0.853	S	S	*	*				174.4	98.9	126.6	-90.6	-15.6	0	0	0	110.8
459	K	35.3	Very low	34.8	Very low	215 Å²	215	179.1 Å²	179.1	94%	0.935	87%	0.865	S	S	*	*			trans	169.6	74.5	147.2	-94.1	166.2	-175.8	-173.8	0	110.9
460	K	31	Very low	34.8	Very low	207 Å²	207	183.2 Å²	183.2	90%	0.9	88%	0.88	S	S	*	*			trans	-97	113.3	140.2	-98.8	-172.5	172.3	-175.6	0	105.7
461	L	36.1	Very low	34.7	Very low	166 Å²	166	185.8 Å²	185.8	87%	0.869	89%	0.888	S	S	*	*			trans	175.3	115.8	150.1	-100.8	157.6	0	0	0	109.9
462	K	38	Very low	34.8	Very low	284 Å²	284	184.9 Å²	184.9	100%	1.235	89%	0.891	S	S	*	*			trans	65.8	0	-175.7	-66.2	-173.9	173.7	-176.6	0	115.1

Retrieved 462 of 462 residues in 268.4 ms (Link to these results)

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