A0A3Q0KJ87_SCHMA Loading...

Putative amiloride-sensitive sodium channel

AlphaFold DB , UniProt , Accession A0A3Q0KJ87, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 657 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	29.1	Very low	29.1	Very low	238 Å²	238	176.2 Å²	176.2	100%	1.172	85%	0.854	S	S	*	*				0	94.6	0	-139.6	175.8	-107.3	0	0	104.8	I3	M1-I3 PolarHBondContact O-N 2.99Å
2	E	24	Very low	29.2	Very low	196 Å²	196	178.4 Å²	178.4	92%	0.916	86%	0.857	S	S	*	*			trans	-61.6	122.8	-179.9	-70.2	165.1	149.3	0	0	108.4
3	I	31.7	Very low	29.2	Very low	143 Å²	143	178 Å²	178	73%	0.733	85%	0.853	S	S	*	*			trans	-113.7	102.1	167.3	-62.9	176.3	0	0	0	105.3	M1 F5	M1-I3 PolarHBondContact O-N 2.99Å; I3-F5 PolarHBondContact O-N 3.41Å
4	N	26.5	Very low	29.4	Very low	146 Å²	146	175.4 Å²	175.4	78%	0.781	85%	0.853	S	S	*	*			trans	-48.6	123.3	162.8	-89.8	-31.8	0	0	0	109.1
5	F	31.5	Very low	29.5	Very low	202 Å²	202	173.9 Å²	173.9	89%	0.886	84%	0.844	S	S	*	*			trans	-87	110.4	156.6	-95.7	-85.7	0	0	0	107.7	I3	I3-F5 PolarHBondContact O-N 3.41Å
6	D	31.2	Very low	29.5	Very low	153 Å²	153	170.3 Å²	170.3	82%	0.818	84%	0.842	S	S	*	*			trans	-60.2	149.6	174.1	-88.8	-41.6	0	0	0	112.3
7	K	25.7	Very low	29.4	Very low	188 Å²	188	170.2 Å²	170.2	82%	0.817	84%	0.839	S	S	*	*			trans	-92.2	114.5	-169.9	-171.1	-174.3	-170.4	-174.6	0	109.3
8	Y	29.8	Very low	29.4	Very low	214 Å²	214	167.8 Å²	167.8	84%	0.839	84%	0.84	S	S	*	*			trans	-159	130.7	163.3	-92.8	-85.1	0	0	0	105.2
9	D	30.6	Very low	29.4	Very low	141 Å²	141	167.7 Å²	167.7	75%	0.754	84%	0.837	S	S	*	*			cis	-157.6	144.5	11.8	-155.4	-8	0	0	0	106.6	T11	D9-T11 PolarHBondContact O-N 3.43Å
10	E	28	Very low	29.4	Very low	182 Å²	182	166.5 Å²	166.5	85%	0.85	83%	0.828	S	S	*	*			trans	-69.7	111.6	-176.1	-78.2	174.5	159.6	0	0	110.9
11	T	32	Very low	29.4	Very low	135 Å²	135	168 Å²	168	83%	0.828	83%	0.833	S	S	*	*			trans	-86.4	112.9	159	21.9	0	0	0	0	108.5	D9 E13	D9-T11 PolarHBondContact O-N 3.43Å; T11-E13 PolarHBondContact O-N 2.95Å
12	K	30.3	Very low	29.3	Very low	203 Å²	203	167.5 Å²	167.5	88%	0.883	82%	0.818	S	S	*	*			trans	-50.1	108.2	171.9	-77.2	176.4	174.9	171.7	0	110.5	V14	K12-V14 PolarHBondContact O-N 3.23Å
13	E	29.2	Very low	29.7	Very low	173 Å²	173	167.3 Å²	167.3	81%	0.808	82%	0.817	S	S	*	*			trans	-65.2	121.5	161.7	-83.6	-176.7	139.4	0	0	109.3	T11 E15	T11-E13 PolarHBondContact O-N 2.95Å; E13-E15 VanDerWaalsContact C-N 3.31Å; E13-E15 PolarHBondContact O-N 3.3Å
14	V	31.6	Very low	29.6	Very low	142 Å²	142	166 Å²	166	86%	0.861	82%	0.818	S	S	*	*			trans	-79.9	88	160	178.1	0	0	0	0	106.1	K12 S16	K12-V14 PolarHBondContact O-N 3.23Å; V14-S16 PolarHBondContact O-N 3.48Å
15	E	30.7	Very low	29.5	Very low	153 Å²	153	166.8 Å²	166.8	72%	0.715	82%	0.822	S	S	*	*			trans	-68.8	114.7	168.4	-89.2	-173.7	142.3	0	0	110.1	E13	E13-E15 VanDerWaalsContact C-N 3.31Å; E13-E15 PolarHBondContact O-N 3.3Å
16	S	29.9	Very low	29.5	Very low	116 Å²	116	164.2 Å²	164.2	81%	0.811	82%	0.823	S	S	*	*			trans	-83.2	106.9	157.8	67	0	0	0	0	108.7	V14	V14-S16 PolarHBondContact O-N 3.48Å
17	Q	28.7	Very low	29.2	Very low	168 Å²	168	163.9 Å²	163.9	79%	0.785	82%	0.82	S	S	*	*			trans	-68.5	126	171	-75.1	178.4	-23.3	0	0	111
18	C	28.9	Very low	29.5	Very low	128 Å²	128	160.6 Å²	160.6	87%	0.865	81%	0.812	S	S	*	*			trans	-122.3	105.6	146.7	-83.8	0	0	0	0	107.8
19	Q	30.1	Very low	29.4	Very low	165 Å²	165	158.4 Å²	158.4	77%	0.771	81%	0.809	S	S	*	*			trans	-23.4	151.3	146.5	-75.5	179.4	-79.9	0	0	113.5
20	E	29	Very low	29.4	Very low	143 Å²	143	160.2 Å²	160.2	67%	0.668	82%	0.818	S	S	*	*			cis	171.3	131	7.6	167.7	169.7	-158.2	0	0	103.7
21	E	28.6	Very low	29.3	Very low	199 Å²	199	157 Å²	157	93%	0.93	81%	0.811	S	S	*	*			trans	-169	118.6	142.1	-109.9	173.1	-173	0	0	110.8
22	R	27.5	Very low	29.1	Very low	228 Å²	228	157.4 Å²	157.4	86%	0.86	81%	0.808	S	S	*	*			trans	-80.7	147.3	173.3	-70.8	174.2	-175.9	175.8	2.1	109.8
23	Q	31.5	Very low	29	Very low	191 Å²	191	155.3 Å²	155.3	89%	0.893	81%	0.806	S	S	*	*				-175.8	159.9	124.8	-102.3	-179.9	1.5	0	0	111.4
24	P	29.7	Very low	29.1	Very low	116 Å²	116	152.3 Å²	152.3	75%	0.753	80%	0.799	S	S	*	*				-118.4	170.5	-124	35.3	-18.5	0	0	0	116.1
25	N	24.1	Very low	28.8	Very low	162 Å²	162	152.9 Å²	152.9	87%	0.866	80%	0.797	S	S	*	*			trans	-37.7	141.1	172.6	-71.9	-21.7	0	0	0	116.6
26	V	31.8	Very low	28.6	Very low	149 Å²	149	155 Å²	155	90%	0.903	81%	0.809	S	S	*	*			trans	-126	131.5	148.9	178.8	0	0	0	0	109.2
27	L	26.1	Very low	28.3	Very low	145 Å²	145	158.7 Å²	158.7	76%	0.759	81%	0.811	S	S	*	*			trans	-77.8	160.2	-173.6	-171	74.6	0	0	0	112.8
28	N	30.8	Very low	28	Very low	120 Å²	120	157.2 Å²	157.2	64%	0.642	82%	0.818	S	S	*	*			trans	135.9	100.5	144.5	-70.5	-2.8	0	0	0	111
29	E	28.1	Very low	27.8	Very low	168 Å²	168	156.3 Å²	156.3	79%	0.785	81%	0.808	S	S	*	*				81.9	106.8	89.5	-85.8	-171.6	158.9	0	0	112.9
30	L	30	Very low	27.7	Very low	179 Å²	179	157.6 Å²	157.6	94%	0.937	81%	0.814	S	S	*	*			trans	-165	98.8	136	-105.2	141.8	0	0	0	109
31	T	25.7	Very low	27.5	Very low	115 Å²	115	155.5 Å²	155.5	71%	0.706	82%	0.815	S	S	*	*			trans	-69.2	141.2	164.5	37.8	0	0	0	0	111
32	D	27.7	Very low	27.5	Very low	143 Å²	143	151.1 Å²	151.1	77%	0.765	81%	0.806	S	S	*	*				145.2	110.8	127.3	-79.7	-26.9	0	0	0	111.7
33	L	28.9	Very low	27.6	Very low	159 Å²	159	145 Å²	145	83%	0.832	80%	0.798	S	S	*	*				170.2	101.5	124.4	-89.8	148.1	0	0	0	111.6
34	T	30.8	Very low	27.2	Very low	109 Å²	109	144.2 Å²	144.2	67%	0.669	80%	0.8	S	S	*	*			trans	68.2	104	135	51.7	0	0	0	0	121.7
35	N	26.8	Very low	27.1	Very low	154 Å²	154	145.9 Å²	145.9	82%	0.824	80%	0.8	S	S	*	*				63	97	122.6	-66.1	-19	0	0	0	120.8
36	M	26	Very low	27	Very low	198 Å²	198	146.9 Å²	146.9	98%	0.975	80%	0.8	S	S	*	*				-158.8	112.1	119.7	-116.6	176.3	166.6	0	0	110.3
37	K	22.6	Very low	27	Very low	193 Å²	193	145.9 Å²	145.9	84%	0.839	80%	0.796	S	S	*	*			trans	-76.1	129.8	173.9	-87.9	174.8	172.3	173.8	0	110.1
38	C	23.5	Very low	27.2	Very low	137 Å²	137	148 Å²	148	93%	0.926	80%	0.803	S	S	*	*			trans	-129.9	116.7	139.1	-86.2	0	0	0	0	108.1
39	T	24.3	Very low	27	Very low	109 Å²	109	147.5 Å²	147.5	67%	0.669	81%	0.808	S	S	*	*			trans	-81.4	129	-176.9	39.5	0	0	0	0	111.6
40	H	28.7	Very low	27.1	Very low	193 Å²	193	146.2 Å²	146.2	89%	0.894	81%	0.812	S	S	*	*			trans	-138.9	96.5	143.6	-97.6	-76	0	0	0	109
41	S	25.1	Very low	26.9	Very low	99 Å²	99	146.9 Å²	146.9	69%	0.692	81%	0.807	S	S	*	*			trans	-52.5	146.3	146.2	46.4	0	0	0	0	108.7
42	S	28.6	Very low	27.1	Very low	106 Å²	106	148.2 Å²	148.2	74%	0.741	82%	0.815	S	S	*	*				-176.8	152	53.7	25.4	0	0	0	0	111.9
43	S	28	Very low	27	Very low	100 Å²	100	148.6 Å²	148.6	70%	0.699	82%	0.817	S	S	*	*			trans	71.6	98	145.6	59.7	0	0	0	0	120.9
44	L	23.1	Very low	27.3	Very low	175 Å²	175	150.7 Å²	150.7	92%	0.916	82%	0.822	S	S	*	*			trans	-56	131.1	137.3	-87	91	0	0	0	110.6
45	I	29	Very low	27.4	Very low	150 Å²	150	154 Å²	154	77%	0.769	83%	0.827	S	S	*	*			trans	-140.8	115.3	155.2	-61.2	-178.4	0	0	0	108.3
46	Q	22.2	Very low	27.6	Very low	183 Å²	183	153.3 Å²	153.3	86%	0.855	82%	0.824	S	S	*	*			trans	-76.4	144.7	161.4	-73.4	172.8	-35.4	0	0	109.7
47	P	31.2	Very low	28	Very low	128 Å²	128	151.2 Å²	151.2	83%	0.831	82%	0.815	S	S	*	*			trans	-105.9	143.9	156.5	17.9	0.3	0	0	0	112.3
48	Q	30.3	Very low	28.5	Very low	191 Å²	191	151.5 Å²	151.5	89%	0.893	82%	0.816	S	S	*	*			trans	-72.2	158.1	-171	-68.8	164.3	-33.3	0	0	114.5
49	S	26.1	Very low	28.6	Very low	108 Å²	108	149.3 Å²	149.3	76%	0.755	81%	0.808	S	S	*	*			trans	-54.2	138.6	169.5	56.2	0	0	0	0	115.1
50	V	30.5	Very low	29.2	Very low	142 Å²	142	149.2 Å²	149.2	86%	0.861	81%	0.809	S	S	*	*			trans	-134.2	123.9	148.1	180	0	0	0	0	109
51	K	25.4	Very low	29.3	Very low	193 Å²	193	149.3 Å²	149.3	84%	0.839	81%	0.807	S	S	*	*			trans	-78.7	139.8	177.9	-71.6	170.1	172.7	172.6	0	110.7
52	T	30.8	Very low	29.5	Very low	143 Å²	143	149.9 Å²	149.9	88%	0.877	81%	0.811	S	S	*	*			trans	-153.9	125.9	142	18.3	0	0	0	0	110.7
53	N	25.7	Very low	29.4	Very low	150 Å²	150	152.1 Å²	152.1	80%	0.802	82%	0.815	S	S	*	*			trans	-71.1	145.7	179.1	-73.2	-50.1	0	0	0	111.6
54	H	34.3	Very low	29.4	Very low	204 Å²	204	158.1 Å²	158.1	94%	0.944	82%	0.824	S	S	*	*				-157.1	141.6	126.2	-100.5	-67.7	0	0	0	112.1
55	K	33	Very low	29.6	Very low	177 Å²	177	155.9 Å²	155.9	77%	0.77	81%	0.813	S	S	*	*			trans	-88	152	-163.2	-97.7	171.4	172.7	174.1	0	114
56	N	31.7	Very low	29.6	Very low	141 Å²	141	155.4 Å²	155.4	75%	0.754	81%	0.811	S	S	*	*			trans	71.3	146.7	145	-54.8	-22.5	0	0	0	116.4
57	I	34	Very low	29.9	Very low	154 Å²	154	157.3 Å²	157.3	79%	0.79	81%	0.811	S	S	*	*			cis	-157	141.8	31.2	-69.3	175.1	0	0	0	110.6
58	K	33.5	Very low	29.6	Very low	198 Å²	198	157 Å²	157	86%	0.861	81%	0.806	S	S	*	*			trans	-3.2	143.6	152.2	-61.6	171.1	173	176.6	0	122.5
59	A	26.1	Very low	29.6	Very low	92 Å²	92	157.7 Å²	157.7	76%	0.76	81%	0.806	S	S	*	*			trans	-65.9	-173.7	153.2	0	0	0	0	0	112.2
60	P	35.9	Very low	29.6	Very low	107 Å²	107	160 Å²	160	70%	0.695	81%	0.81	S	S	*	*			cis	-150.6	-177.3	10.8	43.4	-21.2	0	0	0	118.6
61	K	30.4	Very low	29.3	Very low	195 Å²	195	162.6 Å²	162.6	85%	0.848	81%	0.81	S	S	*	*			trans	76.2	132.3	140.7	-82.3	168.7	-173.8	-175.2	0	124.4
62	S	29.9	Very low	29.6	Very low	110 Å²	110	162.2 Å²	162.2	77%	0.769	81%	0.811	S	S	*	*			trans	86.4	115.8	136.5	85	0	0	0	0	123.1
63	N	25.9	Very low	29.3	Very low	153 Å²	153	162 Å²	162	82%	0.818	80%	0.804	S	S	*	*			trans	23.8	123.1	132.7	-73.6	-9.4	0	0	0	119.3
64	Y	29.3	Very low	29.4	Very low	227 Å²	227	162.9 Å²	162.9	89%	0.89	81%	0.808	S	S	*	*				-168.2	152.1	113.1	-137.3	-103.9	0	0	0	113.3
65	N	27.2	Very low	29	Very low	128 Å²	128	161.2 Å²	161.2	68%	0.684	80%	0.801	S	S	*	*			trans	-75.9	163	-179.6	-82	-36.6	0	0	0	114.5
66	N	28.6	Very low	28.7	Very low	139 Å²	139	159.5 Å²	159.5	74%	0.743	81%	0.809	S	S	*	*			trans	85.2	128.3	140.6	-73.8	-23.3	0	0	0	122.7
67	R	27.5	Very low	28.4	Very low	224 Å²	224	157.3 Å²	157.3	85%	0.845	81%	0.805	S	S	*	*			trans	78.4	108.9	135.4	-85.7	-178.3	178.9	177.5	0.1	121.4
68	V	26	Very low	28.3	Very low	121 Å²	121	158.1 Å²	158.1	73%	0.733	81%	0.811	S	S	*	*				54	109.2	114.5	179.5	0	0	0	0	118.3
69	K	30.1	Very low	28.1	Very low	206 Å²	206	156 Å²	156	90%	0.896	81%	0.809	S	S	*	*				175.9	149.9	118.8	-101	172	-175.5	179.4	0	113.7
70	N	25.1	Very low	28.4	Very low	157 Å²	157	160.6 Å²	160.6	84%	0.84	82%	0.815	S	S	*	*			trans	-74.9	167.1	-175.9	-80.1	-31.3	0	0	0	116
71	K	24.9	Very low	28.3	Very low	195 Å²	195	163.1 Å²	163.1	85%	0.848	82%	0.822	S	S	*	*			trans	78.8	115.6	150.4	-81.8	176.3	176.2	-176.4	0	118.6
72	H	31	Very low	28.2	Very low	185 Å²	185	161.2 Å²	161.2	86%	0.856	82%	0.821	S	S	*	*				-158.6	130.7	121.8	-118.1	-86	0	0	0	111.1
73	L	24.8	Very low	28.3	Very low	139 Å²	139	165.2 Å²	165.2	73%	0.728	83%	0.825	S	S	*	*			trans	-73.5	150.1	162.4	-98	85.3	0	0	0	108.5
74	D	29.2	Very low	28.7	Very low	168 Å²	168	163.7 Å²	163.7	90%	0.898	82%	0.821	S	S	*	*			trans	-147.6	139.1	143.7	-89.3	-35.4	0	0	0	110.8
75	Q	25.1	Very low	28.9	Very low	170 Å²	170	157.5 Å²	157.5	79%	0.794	81%	0.811	S	S	*	*			trans	-122.2	136.2	-169.3	-163.2	169.4	8	0	0	107
76	C	26.8	Very low	29	Very low	140 Å²	140	159 Å²	159	95%	0.946	82%	0.818	S	S	*	*			trans	-132.4	124.1	168	-90.2	0	0	0	0	109.6
77	S	25.9	Very low	29.3	Very low	96 Å²	96	160.7 Å²	160.7	67%	0.671	82%	0.822	S	S	*	*			trans	-114.4	139.6	178.1	-173.7	0	0	0	0	107.9
78	N	30.5	Very low	29.6	Very low	171 Å²	171	157.9 Å²	157.9	91%	0.914	82%	0.816	S	S	*	*			trans	-133.2	120.5	163.5	-84.4	-25	0	0	0	108.3
79	N	29.2	Very low	30	Very low	153 Å²	153	157.3 Å²	157.3	82%	0.818	81%	0.813	S	S	*	*			trans	-111.1	133.4	173.9	-96.8	-15.3	0	0	0	108.4
80	E	33.9	Very low	30.1	Very low	189 Å²	189	152.8 Å²	152.8	88%	0.883	81%	0.808	S	S	*	*			trans	-169.5	139.4	158	-102.7	179.8	174.3	0	0	104.8
81	L	32.2	Very low	30.6	Very low	159 Å²	159	152 Å²	152	83%	0.832	81%	0.808	S	S	*	*			cis	-166.1	141	7	-167	87.9	0	0	0	106.2
82	N	28.6	Very low	31.1	Very low	155 Å²	155	147 Å²	147	83%	0.829	80%	0.798	S	S	*	*			trans	-90.3	143.1	176.8	-100.8	-18.4	0	0	0	112.4
83	K	33.1	Very low	31.3	Very low	195 Å²	195	146 Å²	146	85%	0.848	80%	0.798	S	S	*	*			trans	162.9	133.9	148.6	-95.3	167.5	-178.4	179.1	0	106.4
84	T	33.8	Very low	31.9	Very low	121 Å²	121	145.2 Å²	145.2	74%	0.742	80%	0.804	S	S	*	*			cis	-175.7	142.5	46.9	-8.5	0	0	0	0	110.2
85	S	34.2	Very low	32.2	Very low	96 Å²	96	142.4 Å²	142.4	67%	0.671	80%	0.796	S	S	*	*			trans	48.4	114.3	142.7	54.1	0	0	0	0	120.9
86	N	29.4	Very low	32.6	Very low	159 Å²	159	142.1 Å²	142.1	85%	0.85	80%	0.799	S	S	*	*				88.4	146	77.2	-83.4	-0.5	0	0	0	114.8
87	E	34.9	Very low	32.9	Very low	176 Å²	176	140.5 Å²	140.5	82%	0.822	79%	0.789	S	S	*	*			trans	90.8	131.6	175.5	-60.9	-174	159.2	0	0	115.1
88	F	32.8	Very low	33.4	Very low	165 Å²	165	143.2 Å²	143.2	72%	0.724	80%	0.796	S	S	*	*			cis	-164.2	141.9	19.2	-145.9	-120.4	0	0	0	110.4
89	T	35	Very low	33.9	Very low	109 Å²	109	143.8 Å²	143.8	67%	0.669	79%	0.793	S	S	*	*			trans	55.1	126.1	146	50.2	0	0	0	0	124.3
90	S	31.2	Very low	34.9	Very low	111 Å²	111	145.9 Å²	145.9	78%	0.776	79%	0.791	S	S	*	*			trans	-66.9	147.9	160.1	50.9	0	0	0	0	115.7
91	T	36.6	Very low	36.1	Very low	139 Å²	139	141.5 Å²	141.5	85%	0.853	77%	0.773	S	S	*	*			trans	-142.7	109.7	150.5	-4.2	0	0	0	0	112.1
92	S	35.8	Very low	37.7	Very low	91 Å²	91	136.2 Å²	136.2	64%	0.636	75%	0.748	S	S	*	*			trans	0.2	131.7	152.9	57.3	0	0	0	0	123.5
93	L	34.5	Very low	40.2	Very low	164 Å²	164	131.3 Å²	131.3	86%	0.859	73%	0.727	S	S	*	*				50.8	121.9	125.1	-73.3	122.9	0	0	0	122
94	S	37.1	Very low	42.6	Very low	122 Å²	122	124.4 Å²	124.4	85%	0.853	70%	0.698	S	S	*	*				-169.1	138	118.2	22.6	0	0	0	0	111.8
95	P	35.6	Very low	45.1	Very low	110 Å²	110	124.9 Å²	124.9	71%	0.714	70%	0.696	S	S	*	*			trans	-102.8	169.8	-175.9	39.1	-32.1	0	0	0	114.4
96	L	33	Very low	47.5	Very low	164 Å²	164	123.5 Å²	123.5	86%	0.859	68%	0.684	S	S	*	*			trans	81.4	109.9	162.7	-67.6	149.5	0	0	0	119.1
97	S	34.5	Very low	50.1	Low	106 Å²	106	117 Å²	117	74%	0.741	65%	0.648	S	S	*	*				176.9	141.3	109.2	44.9	0	0	0	0	113.1
98	N	36.2	Very low	52.6	Low	152 Å²	152	111.5 Å²	111.5	81%	0.813	62%	0.623	S	S	*	*			trans	77.3	87.7	164.1	-61.6	-12.9	0	0	0	119	Y100	N98-Y100 VanDerWaalsContact C-N 3.3Å; N98-Y100 PolarHBondContact O-N 3.38Å
99	E	40.5	Very low	55.4	Low	183 Å²	183	110.7 Å²	110.7	86%	0.855	62%	0.62	S	S	*	*			trans	-63.8	84.5	159.4	-167.5	171.4	-167.4	0	0	110	N101	E99-N101 PolarHBondContact O-N 2.92Å
100	Y	50.5	Low	57.9	Low	198 Å²	198	113.5 Å²	113.5	78%	0.776	62%	0.618	S	S	*	*			trans	-77.4	96.5	171.7	-171.7	-97.6	0	0	0	108.6	N98 P102	N98-Y100 VanDerWaalsContact C-N 3.3Å; N98-Y100 PolarHBondContact O-N 3.38Å; Y100-P102 WeakPolarHBondContact O-CD 3.42Å
101	N	58.2	Low	60.7	Low	97 Å²	97	109.5 Å²	109.5	52%	0.519	59%	0.587	S	S	.	*			trans	-58.5	110.7	174	-97.3	-35.3	0	0	0	109.3	E99 S103	E99-N101 PolarHBondContact O-N 2.92Å; N101-S103 PolarHBondContact O-N 2.92Å
102	P	66.2	Low	63.2	Low	47 Å²	47	108.7 Å²	108.7	31%	0.305	57%	0.572	S	S	.	*			trans	-65.3	136	-175.2	25.7	-32.1	0	0	0	109.1	Y100 T106 Q107	Y100-P102 WeakPolarHBondContact O-CD 3.42Å; P102-T106 HydrophobicContact CB-CG2 3.94Å; P102-Q107 HydrophobicContact CB-CG 4.34Å; P102-Q107 HydrophobicContact CG-CG 3.92Å; P102-Q107 PolarHBondContact O-NE2 3.45Å; P102-Q107 VanDerWaalsContact O-NE2 3.11Å
103	S	80.9	Confident	65.8	Low	53 Å²	53	111.6 Å²	111.6	37%	0.371	57%	0.569	S	S	.	*			trans	-50.8	148.2	173.6	62.7	0	0	0	0	110.6	N101 L105 T106 Q107	N101-S103 PolarHBondContact O-N 2.92Å; S103-L105 PolarHBondContact O-N 3.36Å; S103-T106 WeakPolarHBondContact O-CA 3.24Å; S103-T106 VanDerWaalsContact O-CB 3.3Å; S103-T106 WeakPolarHBondContact O-CB 3.5Å; S103-T106 PolarHBondContact O-N 3.16Å; S103-T106 PolarHBondContact OG-OG1 3.35Å; S103-Q107 PolarHBondContact O-N 2.97Å; S103-Q107 VanDerWaalsContact O-N 3.12Å
104	L	83.7	Confident	68.4	Low	49 Å²	49	108.5 Å²	108.5	26%	0.257	55%	0.55	S	S	.	*	H	α-helix	trans	-48.2	-40.7	178	177.9	65.5	0	0	0	112	T106 Q107 I108 V649 Y652	L104-T106 VanDerWaalsContact C-N 3.29Å; L104-T106 PolarHBondContact O-N 3.48Å; L104-Q107 PolarHBondContact O-N 3.28Å; L104-Q107 VanDerWaalsContact O-N 3.16Å; L104-I108 HydrophobicContact CD1-CD1 4.08Å; L104-I108 HydrophobicContact CD1-CG1 4.3Å; L104-I108 HydrophobicContact CD2-CD1 4.37Å; L104-I108 HydrophobicContact CG-CD1 3.82Å; L104-I108 HydrophobicContact CG-CG1 4.41Å; L104-I108 WeakPolarHBondContact O-CG1 3.46Å; L104-I108 PolarHBondContact O-N 3.48Å; L104-V649 HydrophobicContact CD1-CB 4.5Å; L104-V649 HydrophobicContact CD1-CG2 3.99Å; L104-Y652 HydrophobicContact CB-CD1 3.91Å; L104-Y652 HydrophobicContact CB-CD2 3.98Å; L104-Y652 HydrophobicContact CB-CE1 3.96Å; L104-Y652 HydrophobicContact CB-CE2 4.03Å; L104-Y652 HydrophobicContact CB-CG 3.91Å; L104-Y652 HydrophobicContact CD1-CD1 4.2Å; L104-Y652 HydrophobicContact CD1-CG 3.94Å; L104-Y652 HydrophobicContact CD2-CD1 4.25Å; L104-Y652 HydrophobicContact CG-CD1 4.34Å; L104-Y652 HydrophobicContact CG-CG 4.4Å
105	L	85.8	Confident	70.9	Confident	132 Å²	132	103.9 Å²	103.9	69%	0.691	52%	0.515	S	S	*	.	H	α-helix	trans	-60.7	-37.6	177.3	-167.2	119.4	0	0	0	112.4	S103 K109	S103-L105 PolarHBondContact O-N 3.36Å; L105-K109 WeakPolarHBondContact O-CB 3.47Å; L105-K109 PolarHBondContact O-N 3.02Å
106	T	85.3	Confident	73.6	Confident	67 Å²	67	99.4 Å²	99.4	41%	0.411	49%	0.486	S	S	.	.	H	α-helix	trans	-69.3	-38.5	176.3	-53.6	0	0	0	0	111.3	P102 S103 L104 K109 R110	P102-T106 HydrophobicContact CB-CG2 3.94Å; S103-T106 WeakPolarHBondContact O-CA 3.24Å; S103-T106 VanDerWaalsContact O-CB 3.3Å; S103-T106 WeakPolarHBondContact O-CB 3.5Å; S103-T106 PolarHBondContact O-N 3.16Å; S103-T106 PolarHBondContact OG-OG1 3.35Å; L104-T106 VanDerWaalsContact C-N 3.29Å; L104-T106 PolarHBondContact O-N 3.48Å; T106-K109 PolarHBondContact O-N 3.05Å; T106-R110 PolarHBondContact O-N 3.22Å
107	Q	84.5	Confident	76.2	Confident	23 Å²	23	95.5 Å²	95.5	11%	0.107	46%	0.463	C	S	.	.	H	α-helix	trans	-65.4	-47.8	175.7	-62	-174.4	36.2	0	0	111.3	P102 S103 L104 K109 R110 Q111 A648	P102-Q107 HydrophobicContact CB-CG 4.34Å; P102-Q107 HydrophobicContact CG-CG 3.92Å; P102-Q107 PolarHBondContact O-NE2 3.45Å; P102-Q107 VanDerWaalsContact O-NE2 3.11Å; S103-Q107 PolarHBondContact O-N 2.97Å; S103-Q107 VanDerWaalsContact O-N 3.12Å; L104-Q107 PolarHBondContact O-N 3.28Å; L104-Q107 VanDerWaalsContact O-N 3.16Å; Q107-K109 VanDerWaalsContact C-N 3.32Å; Q107-K109 PolarHBondContact O-N 3.46Å; Q107-R110 WeakPolarHBondContact O-CB 3.32Å; Q107-R110 PolarHBondContact O-N 3.44Å; Q107-R110 VanDerWaalsContact O-N 3.15Å; Q107-Q111 PolarHBondContact O-N 3Å; Q107-A648 HydrophobicContact CB-CB 4.36Å
108	I	87.5	Confident	78.8	Confident	59 Å²	59	95.2 Å²	95.2	30%	0.303	46%	0.457	S	S	.	.	H	α-helix	trans	-61.2	-43.1	175.8	-65.8	171.3	0	0	0	110.5	L104 R110 Q111 F112 V645 V649	L104-I108 HydrophobicContact CD1-CD1 4.08Å; L104-I108 HydrophobicContact CD1-CG1 4.3Å; L104-I108 HydrophobicContact CD2-CD1 4.37Å; L104-I108 HydrophobicContact CG-CD1 3.82Å; L104-I108 HydrophobicContact CG-CG1 4.41Å; L104-I108 WeakPolarHBondContact O-CG1 3.46Å; L104-I108 PolarHBondContact O-N 3.48Å; I108-R110 VanDerWaalsContact C-N 3.28Å; I108-R110 PolarHBondContact O-N 3.48Å; I108-Q111 PolarHBondContact O-N 3.23Å; I108-F112 PolarHBondContact O-N 3Å; I108-V645 HydrophobicContact CG1-CG1 4.43Å; I108-V649 HydrophobicContact CD1-CG2 4.49Å
109	K	89.8	Confident	81.4	Confident	149 Å²	149	88.3 Å²	88.3	65%	0.648	42%	0.421	S	S	*	.	H	α-helix	trans	-60.9	-36.5	176.3	-174.7	177.5	-178.5	179.4	0	112.1	L105 T106 Q107 R113	L105-K109 WeakPolarHBondContact O-CB 3.47Å; L105-K109 PolarHBondContact O-N 3.02Å; T106-K109 PolarHBondContact O-N 3.05Å; Q107-K109 VanDerWaalsContact C-N 3.32Å; Q107-K109 PolarHBondContact O-N 3.46Å; K109-R113 WeakPolarHBondContact O-CB 3.38Å; K109-R113 PolarHBondContact O-N 3.35Å
110	R	88.9	Confident	83.6	Confident	167 Å²	167	81.8 Å²	81.8	63%	0.63	40%	0.395	S	S	*	.	H	α-helix	trans	-65	-46.2	174.4	-170.6	178.1	72.5	169.5	2.1	111.2	T106 Q107 I108 F112 R113 Q114	T106-R110 PolarHBondContact O-N 3.22Å; Q107-R110 WeakPolarHBondContact O-CB 3.32Å; Q107-R110 PolarHBondContact O-N 3.44Å; Q107-R110 VanDerWaalsContact O-N 3.15Å; I108-R110 VanDerWaalsContact C-N 3.28Å; I108-R110 PolarHBondContact O-N 3.48Å; R110-F112 PolarHBondContact O-N 3.13Å; R110-R113 PolarHBondContact O-N 3.01Å; R110-Q114 WeakPolarHBondContact O-CB 3.37Å; R110-Q114 PolarHBondContact O-N 3.47Å
111	Q	89.5	Confident	85.5	Confident	28 Å²	28	74 Å²	74	13%	0.131	37%	0.366	C	S	.	.	H	α-helix	trans	-61.5	-44.3	177.3	-64.3	-57.7	-15.8	0	0	111.8	Q107 I108 R113 Q114 F115 L641 V645	Q107-Q111 PolarHBondContact O-N 3Å; I108-Q111 PolarHBondContact O-N 3.23Å; Q111-R113 PolarHBondContact O-N 2.76Å; Q111-Q114 PolarHBondContact O-N 2.92Å; Q111-F115 PolarHBondContact O-N 3.03Å; Q111-L641 HydrophobicContact CB-CD1 4.35Å; Q111-V645 HydrophobicContact CB-CG2 4.28Å
112	F	90.1	Very high	86.9	Confident	122 Å²	122	75.3 Å²	75.3	54%	0.535	36%	0.364	S	S	.	.	H	α-helix	trans	-64.7	-39.3	177.2	-170.2	-101.6	0	0	0	112.5	I108 R110 F115 C116 L641	I108-F112 PolarHBondContact O-N 3Å; R110-F112 PolarHBondContact O-N 3.13Å; F112-F115 PolarHBondContact O-N 2.95Å; F112-C116 VanDerWaalsContact CE1-SG 3.59Å; F112-C116 PolarHBondContact O-N 2.91Å; F112-C116 PolarHBondContact O-SG 3.32Å; F112-C116 VanDerWaalsContact O-SG 3.38Å; F112-L641 HydrophobicContact CD2-CD2 4.46Å
113	R	89.9	Confident	88.1	Confident	151 Å²	151	73.6 Å²	73.6	57%	0.57	36%	0.355	S	S	*	.	H	α-helix	trans	-62.7	-45.2	174.8	-179.2	178.9	175.1	174.1	3.2	111.4	K109 R110 Q111 F115 C116 E117 V128	K109-R113 WeakPolarHBondContact O-CB 3.38Å; K109-R113 PolarHBondContact O-N 3.35Å; R110-R113 PolarHBondContact O-N 3.01Å; Q111-R113 PolarHBondContact O-N 2.76Å; R113-F115 VanDerWaalsContact C-N 3.34Å; R113-C116 PolarHBondContact O-N 3.48Å; R113-E117 WeakPolarHBondContact CG-OE1 3.24Å; R113-E117 IonicContact CZ-OE1 3.63Å; R113-E117 IonicContact NE-OE1 2.86Å; R113-E117 PolarHBondContact NE-OE1 3.02Å; R113-E117 IonicContact NH2-OE1 3.55Å; R113-E117 WeakPolarHBondContact O-CG 3.46Å; R113-E117 PolarHBondContact O-N 3.26Å; R113-V128 HydrophobicContact CG-CG1 4.12Å
114	Q	88.1	Confident	88.6	Confident	99 Å²	99	72.2 Å²	72.2	46%	0.463	35%	0.345	S	S	.	.	H	α-helix	trans	-60.4	-45.5	177.4	-175.3	173.4	-9.7	0	0	111	R110 Q111 C116 E117 T118	R110-Q114 WeakPolarHBondContact O-CB 3.37Å; R110-Q114 PolarHBondContact O-N 3.47Å; Q111-Q114 PolarHBondContact O-N 2.92Å; Q114-C116 PolarHBondContact O-N 3.12Å; Q114-E117 WeakPolarHBondContact O-CB 3.44Å; Q114-E117 PolarHBondContact O-N 3.43Å; Q114-E117 VanDerWaalsContact O-N 3.1Å; Q114-T118 PolarHBondContact O-N 2.72Å; Q114-T118 PolarHBondContact O-OG1 3.36Å; Q114-T118 VanDerWaalsContact O-OG1 3.1Å
115	F	91.2	Very high	88.9	Confident	25 Å²	25	71.4 Å²	71.4	11%	0.11	34%	0.342	C	S	.	.	H	α-helix	trans	-57.6	-47.7	173.6	172.5	-94.7	0	0	0	112.3	Q111 F112 R113 E117 T118 T119 E637 L638 L641	Q111-F115 PolarHBondContact O-N 3.03Å; F112-F115 PolarHBondContact O-N 2.95Å; R113-F115 VanDerWaalsContact C-N 3.34Å; F115-E117 PolarHBondContact O-N 3.17Å; F115-T118 PolarHBondContact O-N 2.94Å; F115-T118 VanDerWaalsContact O-N 3.15Å; F115-T119 WeakPolarHBondContact O-CA 3.18Å; F115-T119 WeakPolarHBondContact O-CB 3.48Å; F115-T119 WeakPolarHBondContact O-CG2 3.49Å; F115-T119 PolarHBondContact O-N 3.23Å; F115-E637 HydrophobicContact CE2-CB 3.93Å; F115-L638 HydrophobicContact CE1-CD2 4.48Å; F115-L638 HydrophobicContact CE2-CD2 4.13Å; F115-L638 HydrophobicContact CZ-CD2 3.7Å; F115-L638 HydrophobicContact CZ-CG 4.4Å; F115-L641 HydrophobicContact CB-CD1 3.93Å; F115-L641 HydrophobicContact CB-CD2 4.21Å; F115-L641 HydrophobicContact CB-CG 4.48Å; F115-L641 HydrophobicContact CD1-CD2 3.98Å; F115-L641 HydrophobicContact CD2-CB 3.88Å; F115-L641 HydrophobicContact CD2-CD2 3.93Å; F115-L641 HydrophobicContact CD2-CG 4.36Å; F115-L641 HydrophobicContact CE1-CD2 4.34Å; F115-L641 HydrophobicContact CE2-CB 4.37Å; F115-L641 HydrophobicContact CE2-CD2 4.28Å; F115-L641 HydrophobicContact CG-CB 4.39Å; F115-L641 HydrophobicContact CG-CD1 4.37Å; F115-L641 HydrophobicContact CG-CD2 3.76Å; F115-L641 HydrophobicContact CG-CG 4.39Å; F115-L641 HydrophobicContact CZ-CD2 4.48Å
116	C	90.4	Very high	89.1	Confident	16 Å²	16	72.2 Å²	72.2	11%	0.108	34%	0.336	C	S	.	.	H	α-helix	trans	-65.5	-22.8	178	-69.8	0	0	0	0	113.3	F112 R113 Q114 V124 P125 V128	F112-C116 VanDerWaalsContact CE1-SG 3.59Å; F112-C116 PolarHBondContact O-N 2.91Å; F112-C116 PolarHBondContact O-SG 3.32Å; F112-C116 VanDerWaalsContact O-SG 3.38Å; R113-C116 PolarHBondContact O-N 3.48Å; Q114-C116 PolarHBondContact O-N 3.12Å; C116-V124 HydrophobicContact CB-CG1 3.96Å; C116-V124 CarbonylContact O-C 3.59Å; C116-P125 WeakPolarHBondContact O-CA 3.48Å; C116-V128 HydrophobicContact CB-CG2 3.65Å
117	E	89	Confident	89.4	Confident	83 Å²	83	70.3 Å²	70.3	39%	0.388	32%	0.323	S	S	.	.	H	α-helix	trans	-80	-28.5	174.4	-72.9	171.1	-176.9	0	0	112.5	R113 Q114 F115 V128	R113-E117 WeakPolarHBondContact CG-OE1 3.24Å; R113-E117 IonicContact CZ-OE1 3.63Å; R113-E117 IonicContact NE-OE1 2.86Å; R113-E117 PolarHBondContact NE-OE1 3.02Å; R113-E117 IonicContact NH2-OE1 3.55Å; R113-E117 WeakPolarHBondContact O-CG 3.46Å; R113-E117 PolarHBondContact O-N 3.26Å; Q114-E117 WeakPolarHBondContact O-CB 3.44Å; Q114-E117 PolarHBondContact O-N 3.43Å; Q114-E117 VanDerWaalsContact O-N 3.1Å; F115-E117 PolarHBondContact O-N 3.17Å; E117-V128 HydrophobicContact CG-CB 3.99Å; E117-V128 HydrophobicContact CG-CG1 3.5Å; E117-V128 VanDerWaalsContact CG-CG1 3.5Å; E117-V128 WeakPolarHBondContact OE1-CG1 3.4Å
118	T	88.8	Confident	89.7	Confident	100 Å²	100	71.4 Å²	71.4	61%	0.613	33%	0.331	S	S	*	.	H	α-helix	trans	-109.2	-10.5	-175.1	59.7	0	0	0	0	115	Q114 F115	Q114-T118 PolarHBondContact O-N 2.72Å; Q114-T118 PolarHBondContact O-OG1 3.36Å; Q114-T118 VanDerWaalsContact O-OG1 3.1Å; F115-T118 PolarHBondContact O-N 2.94Å; F115-T118 VanDerWaalsContact O-N 3.15Å
119	T	90.4	Very high	89.6	Confident	7 Å²	7	72 Å²	72	4%	0.043	34%	0.34	C	S	.	.			trans	-62.8	145.5	-173.9	-175.6	0	0	0	0	112.6	F115 L121 V124 P125 E637	F115-T119 WeakPolarHBondContact O-CA 3.18Å; F115-T119 WeakPolarHBondContact O-CB 3.48Å; F115-T119 WeakPolarHBondContact O-CG2 3.49Å; F115-T119 PolarHBondContact O-N 3.23Å; T119-L121 HydrophobicContact CG2-CB 3.87Å; T119-L121 HydrophobicContact CG2-CD1 4.3Å; T119-L121 HydrophobicContact CG2-CG 4.28Å; T119-L121 PolarHBondContact O-N 3.06Å; T119-L121 WeakPolarHBondContact OG1-CG 3.36Å; T119-L121 PolarHBondContact OG1-N 3.49Å; T119-V124 HydrophobicContact CG2-CB 3.92Å; T119-V124 HydrophobicContact CG2-CG1 3.86Å; T119-P125 HydrophobicContact CG2-CG 4.07Å; T119-P125 WeakPolarHBondContact O-CG 3.38Å; T119-E637 WeakPolarHBondContact CA-OE2 3.14Å; T119-E637 PolarHBondContact OG1-OE2 3.35Å; T119-E637 VanDerWaalsContact OG1-OE2 3.06Å
120	S	87.8	Confident	89.5	Confident	46 Å²	46	66.3 Å²	66.3	32%	0.322	32%	0.318	S	S	.	.			trans	-73.9	-2.8	171.6	48.1	0	0	0	0	114	R122 C634 E637	S120-R122 PolarHBondContact O-N 3.15Å; S120-C634 PolarHBondContact OG-SG 3.48Å; S120-E637 WeakPolarHBondContact CB-OE1 3.33Å; S120-E637 PolarHBondContact N-OE1 3.18Å; S120-E637 PolarHBondContact N-OE2 2.85Å; S120-E637 PolarHBondContact OG-OE1 2.94Å; S120-E637 PolarHBondContact OG-OE2 3.09Å; S120-E637 VanDerWaalsContact OG-OE2 3.13Å
121	L	89.4	Confident	89.3	Confident	33 Å²	33	68.1 Å²	68.1	17%	0.173	33%	0.331	C	S	.	.	S	Bend	trans	-60.8	123.1	172.5	-63.5	172	0	0	0	110.7	T119 G123 V124 P125 I628	T119-L121 HydrophobicContact CG2-CB 3.87Å; T119-L121 HydrophobicContact CG2-CD1 4.3Å; T119-L121 HydrophobicContact CG2-CG 4.28Å; T119-L121 PolarHBondContact O-N 3.06Å; T119-L121 WeakPolarHBondContact OG1-CG 3.36Å; T119-L121 PolarHBondContact OG1-N 3.49Å; L121-G123 PolarHBondContact O-N 3.42Å; L121-V124 HydrophobicContact CB-CB 4.14Å; L121-V124 HydrophobicContact CB-CG2 3.79Å; L121-V124 HydrophobicContact CD1-CG2 4.37Å; L121-V124 PolarHBondContact O-N 3.31Å; L121-P125 WeakPolarHBondContact O-CD 3.38Å; L121-I628 HydrophobicContact CD2-CG2 3.46Å; L121-I628 VanDerWaalsContact CD2-CG2 3.46Å
122	R	88.8	Confident	89.3	Confident	126 Å²	126	70.9 Å²	70.9	48%	0.475	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	127.9	-174.8	-69.8	177.7	-177	177.2	0.6	110.8	S120 V124 S625 I626 I628	S120-R122 PolarHBondContact O-N 3.15Å; R122-V124 VanDerWaalsContact C-N 3.26Å; R122-V124 PolarHBondContact O-N 3.2Å; R122-S625 PolarHBondContact NH1-O 3.31Å; R122-S625 PolarHBondContact NH2-O 3.38Å; R122-S625 VanDerWaalsContact NH2-O 3.13Å; R122-I626 PolarHBondContact NH1-O 3.45Å; R122-I628 PolarHBondContact N-O 3.25Å
123	G	89.8	Confident	89.2	Confident	11 Å²	11	69.9 Å²	69.9	11%	0.113	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	83	-23.7	177.1	0	0	0	0	0	115.3	L121 R126 I127	L121-G123 PolarHBondContact O-N 3.42Å; G123-R126 WeakPolarHBondContact O-CB 3.41Å; G123-R126 PolarHBondContact O-N 3.01Å; G123-I127 WeakPolarHBondContact O-CG1 3.45Å; G123-I127 PolarHBondContact O-N 3.05Å; G123-I127 VanDerWaalsContact O-N 3.08Å
124	V	91.4	Very high	89.2	Confident	24 Å²	24	71.7 Å²	71.7	15%	0.145	37%	0.366	C	S	.	.	H	α-helix	trans	-60.5	-47.9	-179.4	178.3	0	0	0	0	112.3	C116 T119 L121 R122 R126 I127 V128 V143	C116-V124 HydrophobicContact CB-CG1 3.96Å; C116-V124 CarbonylContact O-C 3.59Å; T119-V124 HydrophobicContact CG2-CB 3.92Å; T119-V124 HydrophobicContact CG2-CG1 3.86Å; L121-V124 HydrophobicContact CB-CB 4.14Å; L121-V124 HydrophobicContact CB-CG2 3.79Å; L121-V124 HydrophobicContact CD1-CG2 4.37Å; L121-V124 PolarHBondContact O-N 3.31Å; R122-V124 VanDerWaalsContact C-N 3.26Å; R122-V124 PolarHBondContact O-N 3.2Å; V124-R126 PolarHBondContact O-N 2.64Å; V124-I127 WeakPolarHBondContact O-CB 3.09Å; V124-I127 PolarHBondContact O-N 3.35Å; V124-V128 PolarHBondContact O-N 3.4Å; V124-V143 HydrophobicContact CG2-CG1 4.35Å
125	P	90.9	Very high	89.2	Confident	31 Å²	31	74.8 Å²	74.8	20%	0.201	37%	0.374	C	S	.	.	H	α-helix	trans	-57.8	-32.5	173.6	-28.1	36.9	0	0	0	113.9	C116 T119 L121 V128 S129	C116-P125 WeakPolarHBondContact O-CA 3.48Å; T119-P125 HydrophobicContact CG2-CG 4.07Å; T119-P125 WeakPolarHBondContact O-CG 3.38Å; L121-P125 WeakPolarHBondContact O-CD 3.38Å; P125-V128 PolarHBondContact O-N 3.01Å; P125-S129 VanDerWaalsContact O-CB 3.31Å; P125-S129 WeakPolarHBondContact O-CB 3.19Å; P125-S129 PolarHBondContact O-N 3.13Å; P125-S129 PolarHBondContact O-OG 3.02Å
126	R	90.2	Very high	89.3	Confident	150 Å²	150	80 Å²	80	57%	0.566	39%	0.393	S	S	*	.	H	α-helix	trans	-72.7	-31.9	178.6	-62.2	-61.2	-174.3	-178.3	-0.5	112.1	G123 V124 S129 T130 W139	G123-R126 WeakPolarHBondContact O-CB 3.41Å; G123-R126 PolarHBondContact O-N 3.01Å; V124-R126 PolarHBondContact O-N 2.64Å; R126-S129 WeakPolarHBondContact CA-OG 3.37Å; R126-T130 VanDerWaalsContact O-CB 3.26Å; R126-T130 WeakPolarHBondContact O-CB 3.47Å; R126-T130 PolarHBondContact O-N 2.86Å; R126-T130 PolarHBondContact O-OG1 2.82Å; R126-W139 HydrophobicContact CB-CD2 3.72Å; R126-W139 HydrophobicContact CB-CE3 4.2Å; R126-W139 HydrophobicContact CB-CG 3.92Å; R126-W139 HydrophobicContact CB-CZ2 4.31Å; R126-W139 HydrophobicContact CG-CD2 4.37Å; R126-W139 HydrophobicContact CG-CH2 4.39Å; R126-W139 HydrophobicContact CG-CZ2 4.15Å
127	I	91.2	Very high	89.4	Confident	27 Å²	27	85.6 Å²	85.6	14%	0.138	42%	0.415	C	S	.	.	H	α-helix	trans	-65.6	-40.9	174.6	-64.6	170.1	0	0	0	110.8	G123 V124 R136 W139 L140 V143	G123-I127 WeakPolarHBondContact O-CG1 3.45Å; G123-I127 PolarHBondContact O-N 3.05Å; G123-I127 VanDerWaalsContact O-N 3.08Å; V124-I127 WeakPolarHBondContact O-CB 3.09Å; V124-I127 PolarHBondContact O-N 3.35Å; I127-R136 HydrophobicContact CG2-CG 4.18Å; I127-W139 HydrophobicContact CG1-CB 3.72Å; I127-L140 HydrophobicContact CD1-CB 4.43Å; I127-V143 HydrophobicContact CD1-CB 3.92Å; I127-V143 HydrophobicContact CD1-CG1 4.36Å; I127-V143 HydrophobicContact CD1-CG2 3.64Å; I127-V143 HydrophobicContact CG1-CG2 4.45Å
128	V	90	Very high	89.6	Confident	45 Å²	45	86.9 Å²	86.9	27%	0.273	42%	0.424	S	S	.	.	H	α-helix	trans	-80.4	-36.7	-177.1	-172.5	0	0	0	0	112.6	R113 C116 E117 V124 P125	R113-V128 HydrophobicContact CG-CG1 4.12Å; C116-V128 HydrophobicContact CB-CG2 3.65Å; E117-V128 HydrophobicContact CG-CB 3.99Å; E117-V128 HydrophobicContact CG-CG1 3.5Å; E117-V128 VanDerWaalsContact CG-CG1 3.5Å; E117-V128 WeakPolarHBondContact OE1-CG1 3.4Å; V124-V128 PolarHBondContact O-N 3.4Å; P125-V128 PolarHBondContact O-N 3.01Å
129	S	86.2	Confident	89.7	Confident	72 Å²	72	86 Å²	86	50%	0.503	41%	0.41	S	S	.	.	H	α-helix	trans	-77.5	-17.9	-179.2	56.2	0	0	0	0	114.7	P125 R126	P125-S129 VanDerWaalsContact O-CB 3.31Å; P125-S129 WeakPolarHBondContact O-CB 3.19Å; P125-S129 PolarHBondContact O-N 3.13Å; P125-S129 PolarHBondContact O-OG 3.02Å; R126-S129 WeakPolarHBondContact CA-OG 3.37Å
130	T	87.2	Confident	89.9	Confident	29 Å²	29	88.9 Å²	88.9	18%	0.178	43%	0.425	C	S	.	.			trans	-82	120.3	-176	-61.8	0	0	0	0	112.2	R126 D132 R135 R136	R126-T130 VanDerWaalsContact O-CB 3.26Å; R126-T130 WeakPolarHBondContact O-CB 3.47Å; R126-T130 PolarHBondContact O-N 2.86Å; R126-T130 PolarHBondContact O-OG1 2.82Å; T130-D132 HydrophobicContact CG2-CB 4.35Å; T130-D132 WeakPolarHBondContact CG2-O 3.28Å; T130-R135 HydrophobicContact CG2-CB 3.6Å; T130-R136 HydrophobicContact CG2-CB 4.18Å
131	K	84.6	Confident	90.2	Very high	206 Å²	206	90.9 Å²	90.9	90%	0.896	43%	0.431	S	S	*	.			trans	-76.6	-35.5	175.8	-63.9	-177.3	-179.7	178.9	0	113.2	S133	K131-S133 PolarHBondContact O-N 3.3Å
132	D	89.5	Confident	90.3	Very high	86 Å²	86	92.8 Å²	92.8	46%	0.46	44%	0.438	S	S	.	.			trans	-75.1	118.2	-176.7	-66.5	-30.7	0	0	0	112.1	T130 K134 R135 R136	T130-D132 HydrophobicContact CG2-CB 4.35Å; T130-D132 WeakPolarHBondContact CG2-O 3.28Å; D132-K134 VanDerWaalsContact C-N 3.29Å; D132-K134 PolarHBondContact O-N 3.23Å; D132-R135 HydrophobicContact CB-CB 4.12Å; D132-R135 HydrophobicContact CB-CG 4.11Å; D132-R135 PolarHBondContact O-N 3.11Å; D132-R135 VanDerWaalsContact O-N 3.15Å; D132-R135 WeakPolarHBondContact OD2-CD 3.27Å; D132-R135 IonicContact OD2-CZ 3.95Å; D132-R135 IonicContact OD2-NE 3.72Å; D132-R136 WeakPolarHBondContact O-CB 3.48Å; D132-R136 PolarHBondContact O-N 2.91Å
133	S	88.3	Confident	90.5	Very high	101 Å²	101	87.5 Å²	87.5	71%	0.706	42%	0.419	S	S	*	.	H	α-helix	trans	-55.4	-39.7	-178.5	-58.2	0	0	0	0	113.6	K131 R136 F137	K131-S133 PolarHBondContact O-N 3.3Å; S133-R136 PolarHBondContact O-N 3.18Å; S133-F137 WeakPolarHBondContact O-CB 3.32Å; S133-F137 PolarHBondContact O-N 2.96Å
134	K	89.9	Confident	90.8	Very high	188 Å²	188	91.1 Å²	91.1	82%	0.817	44%	0.435	S	S	*	.	H	α-helix	trans	-64.9	-44.1	179.5	-67.1	-175.2	179.4	-179.1	0	112.3	D132 F137 L138	D132-K134 VanDerWaalsContact C-N 3.29Å; D132-K134 PolarHBondContact O-N 3.23Å; K134-F137 PolarHBondContact O-N 2.88Å; K134-L138 PolarHBondContact O-N 2.9Å; K134-L138 VanDerWaalsContact O-N 3.11Å
135	R	89.3	Confident	90.9	Very high	165 Å²	165	93.2 Å²	93.2	62%	0.623	45%	0.451	S	S	*	.	H	α-helix	trans	-71.3	-37.4	179	-65.6	-179.1	-179	-159.9	0.2	111.2	T130 D132 F137 L138 W139	T130-R135 HydrophobicContact CG2-CB 3.6Å; D132-R135 HydrophobicContact CB-CB 4.12Å; D132-R135 HydrophobicContact CB-CG 4.11Å; D132-R135 PolarHBondContact O-N 3.11Å; D132-R135 VanDerWaalsContact O-N 3.15Å; D132-R135 WeakPolarHBondContact OD2-CD 3.27Å; D132-R135 IonicContact OD2-CZ 3.95Å; D132-R135 IonicContact OD2-NE 3.72Å; R135-F137 VanDerWaalsContact C-N 3.32Å; R135-F137 PolarHBondContact O-N 3.09Å; R135-L138 WeakPolarHBondContact O-CB 3.32Å; R135-L138 PolarHBondContact O-N 3.43Å; R135-W139 VanDerWaalsContact O-CD1 3.23Å; R135-W139 PolarHBondContact O-N 3.37Å
136	R	92.1	Very high	91	Very high	135 Å²	135	94.9 Å²	94.9	51%	0.509	46%	0.455	S	S	.	.	H	α-helix	trans	-61.3	-41.4	173.2	-176.9	174.3	175.6	-167.1	-2.6	111.6	I127 T130 D132 S133 W139 L140	I127-R136 HydrophobicContact CG2-CG 4.18Å; T130-R136 HydrophobicContact CG2-CB 4.18Å; D132-R136 WeakPolarHBondContact O-CB 3.48Å; D132-R136 PolarHBondContact O-N 2.91Å; S133-R136 PolarHBondContact O-N 3.18Å; R136-W139 PolarHBondContact O-N 3Å; R136-L140 WeakPolarHBondContact O-CB 3.46Å; R136-L140 PolarHBondContact O-N 2.91Å
137	F	92.4	Very high	91.2	Very high	132 Å²	132	91.1 Å²	91.1	58%	0.579	44%	0.443	S	S	*	.	H	α-helix	trans	-63.7	-40.6	175.4	-174.5	-108.8	0	0	0	112.3	S133 K134 R135 L140 I141	S133-F137 WeakPolarHBondContact O-CB 3.32Å; S133-F137 PolarHBondContact O-N 2.96Å; K134-F137 PolarHBondContact O-N 2.88Å; R135-F137 VanDerWaalsContact C-N 3.32Å; R135-F137 PolarHBondContact O-N 3.09Å; F137-L140 PolarHBondContact O-N 2.64Å; F137-I141 HydrophobicContact CD1-CD1 3.72Å; F137-I141 HydrophobicContact CE1-CD1 3.28Å; F137-I141 HydrophobicContact CE1-CG1 4.25Å; F137-I141 HydrophobicContact CE2-CD1 4.4Å; F137-I141 HydrophobicContact CG-CD1 4.46Å; F137-I141 HydrophobicContact CZ-CD1 3.67Å; F137-I141 HydrophobicContact CZ-CG1 4.26Å; F137-I141 WeakPolarHBondContact O-CG1 3.5Å; F137-I141 PolarHBondContact O-N 3.02Å
138	L	92.8	Very high	91.4	Very high	110 Å²	110	94.6 Å²	94.6	58%	0.576	46%	0.461	S	S	*	.	H	α-helix	trans	-59.8	-48.2	173.9	-176.2	155.6	0	0	0	111.9	K134 R135 L140 I141 F142	K134-L138 PolarHBondContact O-N 2.9Å; K134-L138 VanDerWaalsContact O-N 3.11Å; R135-L138 WeakPolarHBondContact O-CB 3.32Å; R135-L138 PolarHBondContact O-N 3.43Å; L138-L140 VanDerWaalsContact C-N 3.3Å; L138-L140 PolarHBondContact O-N 2.98Å; L138-I141 PolarHBondContact O-N 3.22Å; L138-F142 PolarHBondContact O-N 3.48Å
139	W	92.3	Very high	91.7	Very high	83 Å²	83	93 Å²	93	31%	0.314	45%	0.453	S	S	.	.	H	α-helix	trans	-64.1	-35.6	176.7	-76.7	115.4	0	0	0	112.8	R126 I127 R135 R136 F142 V143	R126-W139 HydrophobicContact CB-CD2 3.72Å; R126-W139 HydrophobicContact CB-CE3 4.2Å; R126-W139 HydrophobicContact CB-CG 3.92Å; R126-W139 HydrophobicContact CB-CZ2 4.31Å; R126-W139 HydrophobicContact CG-CD2 4.37Å; R126-W139 HydrophobicContact CG-CH2 4.39Å; R126-W139 HydrophobicContact CG-CZ2 4.15Å; I127-W139 HydrophobicContact CG1-CB 3.72Å; R135-W139 VanDerWaalsContact O-CD1 3.23Å; R135-W139 PolarHBondContact O-N 3.37Å; R136-W139 PolarHBondContact O-N 3Å; W139-F142 HydrophobicContact CE3-CD1 4.07Å; W139-F142 HydrophobicContact CE3-CG 4.42Å; W139-F142 HydrophobicContact CZ3-CD1 4.11Å; W139-F142 HydrophobicContact CZ3-CE1 4.36Å; W139-F142 PolarHBondContact O-N 3.3Å; W139-V143 WeakPolarHBondContact O-CG2 3.38Å; W139-V143 PolarHBondContact O-N 2.92Å
140	L	93.4	Very high	92.1	Very high	67 Å²	67	89.5 Å²	89.5	35%	0.351	43%	0.429	S	S	.	.	H	α-helix	trans	-64	-45.5	175.8	-178	145.8	0	0	0	111.4	I127 R136 F137 L138 F142 V143 I144	I127-L140 HydrophobicContact CD1-CB 4.43Å; R136-L140 WeakPolarHBondContact O-CB 3.46Å; R136-L140 PolarHBondContact O-N 2.91Å; F137-L140 PolarHBondContact O-N 2.64Å; L138-L140 VanDerWaalsContact C-N 3.3Å; L138-L140 PolarHBondContact O-N 2.98Å; L140-F142 VanDerWaalsContact C-N 3.34Å; L140-F142 PolarHBondContact O-N 3.1Å; L140-V143 PolarHBondContact O-N 3.3Å; L140-I144 HydrophobicContact CD2-CD1 3.45Å; L140-I144 VanDerWaalsContact CD2-CD1 3.45Å; L140-I144 HydrophobicContact CD2-CG1 4.48Å; L140-I144 HydrophobicContact CG-CD1 4.03Å; L140-I144 WeakPolarHBondContact O-CB 3.49Å; L140-I144 VanDerWaalsContact O-CG1 3.26Å; L140-I144 WeakPolarHBondContact O-CG1 3.31Å; L140-I144 PolarHBondContact O-N 3.29Å
141	I	94.1	Very high	92.5	Very high	87 Å²	87	92.9 Å²	92.9	45%	0.446	45%	0.445	S	S	.	.	H	α-helix	trans	-60.8	-44.9	174.2	-70.3	168.4	0	0	0	110.7	F137 L138 I144 S145	F137-I141 HydrophobicContact CD1-CD1 3.72Å; F137-I141 HydrophobicContact CE1-CD1 3.28Å; F137-I141 HydrophobicContact CE1-CG1 4.25Å; F137-I141 HydrophobicContact CE2-CD1 4.4Å; F137-I141 HydrophobicContact CG-CD1 4.46Å; F137-I141 HydrophobicContact CZ-CD1 3.67Å; F137-I141 HydrophobicContact CZ-CG1 4.26Å; F137-I141 WeakPolarHBondContact O-CG1 3.5Å; F137-I141 PolarHBondContact O-N 3.02Å; L138-I141 PolarHBondContact O-N 3.22Å; I141-I144 PolarHBondContact O-N 3.34Å; I141-S145 VanDerWaalsContact O-CB 3.3Å; I141-S145 WeakPolarHBondContact O-CB 3.2Å; I141-S145 PolarHBondContact O-N 3.44Å
142	F	92.4	Very high	93.1	Very high	73 Å²	73	86.9 Å²	86.9	32%	0.32	43%	0.426	S	S	.	.	H	α-helix	trans	-58	-50.9	178.7	176.2	-91.9	0	0	0	111.7	L138 W139 L140 I144 S145 F146	L138-F142 PolarHBondContact O-N 3.48Å; W139-F142 HydrophobicContact CE3-CD1 4.07Å; W139-F142 HydrophobicContact CE3-CG 4.42Å; W139-F142 HydrophobicContact CZ3-CD1 4.11Å; W139-F142 HydrophobicContact CZ3-CE1 4.36Å; W139-F142 PolarHBondContact O-N 3.3Å; L140-F142 VanDerWaalsContact C-N 3.34Å; L140-F142 PolarHBondContact O-N 3.1Å; F142-I144 PolarHBondContact O-N 3.26Å; F142-S145 PolarHBondContact O-N 3.24Å; F142-F146 HydrophobicContact CD1-CD2 4.47Å; F142-F146 AromaticContact CD2-CD2 3.99Å; F142-F146 HydrophobicContact CD2-CD2 3.99Å; F142-F146 AromaticContact CD2-CE2 3.73Å; F142-F146 HydrophobicContact CD2-CE2 3.73Å; F142-F146 HydrophobicContact CE1-CD2 4.18Å; F142-F146 HydrophobicContact CE1-CE2 4.31Å; F142-F146 HydrophobicContact CE1-CG 4.39Å; F142-F146 AromaticContact CE2-CD2 3.69Å; F142-F146 HydrophobicContact CE2-CD2 3.69Å; F142-F146 HydrophobicContact CE2-CE1 4.43Å; F142-F146 AromaticContact CE2-CE2 3.12Å; F142-F146 HydrophobicContact CE2-CE2 3.12Å; F142-F146 AromaticContact CE2-CZ 3.55Å; F142-F146 HydrophobicContact CE2-CZ 3.55Å; F142-F146 HydrophobicContact CG-CD2 4.38Å; F142-F146 HydrophobicContact CZ-CD1 4.31Å; F142-F146 AromaticContact CZ-CD2 3.78Å; F142-F146 HydrophobicContact CZ-CD2 3.78Å; F142-F146 HydrophobicContact CZ-CE1 4.01Å; F142-F146 AromaticContact CZ-CE2 3.46Å; F142-F146 HydrophobicContact CZ-CE2 3.46Å; F142-F146 VanDerWaalsContact CZ-CE2 3.46Å; F142-F146 HydrophobicContact CZ-CG 4.2Å; F142-F146 AromaticContact CZ-CZ 3.58Å; F142-F146 HydrophobicContact CZ-CZ 3.58Å; F142-F146 WeakPolarHBondContact O-CD2 3.07Å; F142-F146 PolarHBondContact O-N 3.39Å
143	V	93.4	Very high	93.4	Very high	15 Å²	15	84.7 Å²	84.7	9%	0.091	42%	0.417	C	S	.	.	H	α-helix	trans	-61.8	-46.7	178.8	172.2	0	0	0	0	110.6	V124 I127 W139 L140 S145 F146 F147	V124-V143 HydrophobicContact CG2-CG1 4.35Å; I127-V143 HydrophobicContact CD1-CB 3.92Å; I127-V143 HydrophobicContact CD1-CG1 4.36Å; I127-V143 HydrophobicContact CD1-CG2 3.64Å; I127-V143 HydrophobicContact CG1-CG2 4.45Å; W139-V143 WeakPolarHBondContact O-CG2 3.38Å; W139-V143 PolarHBondContact O-N 2.92Å; L140-V143 PolarHBondContact O-N 3.3Å; V143-S145 PolarHBondContact O-N 2.95Å; V143-F146 PolarHBondContact O-N 3.39Å; V143-F147 HydrophobicContact CG1-CD2 3.65Å; V143-F147 HydrophobicContact CG1-CE2 3.73Å; V143-F147 WeakPolarHBondContact O-CB 3.43Å; V143-F147 VanDerWaalsContact O-CD2 3.31Å; V143-F147 WeakPolarHBondContact O-CD2 3.3Å; V143-F147 PolarHBondContact O-N 2.86Å
144	I	94.4	Very high	93.8	Very high	87 Å²	87	81.3 Å²	81.3	45%	0.446	39%	0.39	S	S	.	.	H	α-helix	trans	-59.7	-45.6	178.2	-70	173.3	0	0	0	111.3	L140 I141 F142 F146 F147 I148	L140-I144 HydrophobicContact CD2-CD1 3.45Å; L140-I144 VanDerWaalsContact CD2-CD1 3.45Å; L140-I144 HydrophobicContact CD2-CG1 4.48Å; L140-I144 HydrophobicContact CG-CD1 4.03Å; L140-I144 WeakPolarHBondContact O-CB 3.49Å; L140-I144 VanDerWaalsContact O-CG1 3.26Å; L140-I144 WeakPolarHBondContact O-CG1 3.31Å; L140-I144 PolarHBondContact O-N 3.29Å; I141-I144 PolarHBondContact O-N 3.34Å; F142-I144 PolarHBondContact O-N 3.26Å; I144-F146 PolarHBondContact O-N 3.32Å; I144-F147 PolarHBondContact O-N 3.05Å; I144-I148 HydrophobicContact CG2-CD1 3.63Å; I144-I148 HydrophobicContact CG2-CG1 4.34Å; I144-I148 VanDerWaalsContact O-CG1 3.26Å; I144-I148 WeakPolarHBondContact O-CG1 2.88Å; I144-I148 PolarHBondContact O-N 2.79Å
145	S	94.3	Very high	94.1	Very high	69 Å²	69	75.6 Å²	75.6	48%	0.483	37%	0.372	S	S	.	.	H	α-helix	trans	-61.3	-43.2	179	176.6	0	0	0	0	112.2	I141 F142 V143 I148 G149	I141-S145 VanDerWaalsContact O-CB 3.3Å; I141-S145 WeakPolarHBondContact O-CB 3.2Å; I141-S145 PolarHBondContact O-N 3.44Å; F142-S145 PolarHBondContact O-N 3.24Å; V143-S145 PolarHBondContact O-N 2.95Å; S145-I148 PolarHBondContact O-N 2.93Å; S145-G149 PolarHBondContact O-N 3.22Å
146	F	94	Very high	94.4	Very high	65 Å²	65	74.6 Å²	74.6	29%	0.285	37%	0.372	S	S	.	.	H	α-helix	trans	-69.7	-36.6	178.2	-89	-113.9	0	0	0	112.6	F142 V143 I144 G149 C150 W627	F142-F146 HydrophobicContact CD1-CD2 4.47Å; F142-F146 AromaticContact CD2-CD2 3.99Å; F142-F146 HydrophobicContact CD2-CD2 3.99Å; F142-F146 AromaticContact CD2-CE2 3.73Å; F142-F146 HydrophobicContact CD2-CE2 3.73Å; F142-F146 HydrophobicContact CE1-CD2 4.18Å; F142-F146 HydrophobicContact CE1-CE2 4.31Å; F142-F146 HydrophobicContact CE1-CG 4.39Å; F142-F146 AromaticContact CE2-CD2 3.69Å; F142-F146 HydrophobicContact CE2-CD2 3.69Å; F142-F146 HydrophobicContact CE2-CE1 4.43Å; F142-F146 AromaticContact CE2-CE2 3.12Å; F142-F146 HydrophobicContact CE2-CE2 3.12Å; F142-F146 AromaticContact CE2-CZ 3.55Å; F142-F146 HydrophobicContact CE2-CZ 3.55Å; F142-F146 HydrophobicContact CG-CD2 4.38Å; F142-F146 HydrophobicContact CZ-CD1 4.31Å; F142-F146 AromaticContact CZ-CD2 3.78Å; F142-F146 HydrophobicContact CZ-CD2 3.78Å; F142-F146 HydrophobicContact CZ-CE1 4.01Å; F142-F146 AromaticContact CZ-CE2 3.46Å; F142-F146 HydrophobicContact CZ-CE2 3.46Å; F142-F146 VanDerWaalsContact CZ-CE2 3.46Å; F142-F146 HydrophobicContact CZ-CG 4.2Å; F142-F146 AromaticContact CZ-CZ 3.58Å; F142-F146 HydrophobicContact CZ-CZ 3.58Å; F142-F146 WeakPolarHBondContact O-CD2 3.07Å; F142-F146 PolarHBondContact O-N 3.39Å; V143-F146 PolarHBondContact O-N 3.39Å; I144-F146 PolarHBondContact O-N 3.32Å; F146-G149 PolarHBondContact O-N 2.96Å; F146-C150 WeakPolarHBondContact O-CB 3.49Å; F146-C150 PolarHBondContact O-N 3.25Å; F146-W627 HydrophobicContact CB-CE3 4.25Å; F146-W627 AromaticContact CD1-CE3 3.76Å; F146-W627 HydrophobicContact CD1-CE3 3.76Å; F146-W627 HydrophobicContact CD1-CZ3 4.35Å; F146-W627 VanDerWaalsContact CD1-O 3.29Å; F146-W627 WeakPolarHBondContact CD1-O 3.34Å; F146-W627 HydrophobicContact CE1-CE3 4.32Å; F146-W627 HydrophobicContact CG-CE3 4.07Å; F146-W627 HydrophobicContact CG-CZ3 4.47Å
147	F	93.4	Very high	94.5	Very high	72 Å²	72	69 Å²	69	32%	0.316	35%	0.352	S	S	.	.	H	α-helix	trans	-64.5	-44.2	172.5	-94.1	-93.9	0	0	0	111.6	V143 I144 C150 I151 I628	V143-F147 HydrophobicContact CG1-CD2 3.65Å; V143-F147 HydrophobicContact CG1-CE2 3.73Å; V143-F147 WeakPolarHBondContact O-CB 3.43Å; V143-F147 VanDerWaalsContact O-CD2 3.31Å; V143-F147 WeakPolarHBondContact O-CD2 3.3Å; V143-F147 PolarHBondContact O-N 2.86Å; I144-F147 PolarHBondContact O-N 3.05Å; F147-C150 WeakPolarHBondContact O-CB 3.45Å; F147-C150 PolarHBondContact O-N 2.85Å; F147-I151 VanDerWaalsContact O-CG1 3.27Å; F147-I151 WeakPolarHBondContact O-CG1 3.35Å; F147-I151 PolarHBondContact O-N 3.47Å; F147-I628 HydrophobicContact CD1-CD1 3.65Å; F147-I628 HydrophobicContact CD1-CG1 4.16Å; F147-I628 HydrophobicContact CD2-CG1 4.23Å; F147-I628 HydrophobicContact CE1-CD1 3.63Å; F147-I628 HydrophobicContact CE1-CG1 4.14Å; F147-I628 HydrophobicContact CE1-CG2 4.04Å; F147-I628 HydrophobicContact CE2-CG1 4.21Å; F147-I628 HydrophobicContact CE2-CG2 3.79Å; F147-I628 HydrophobicContact CG-CD1 4.17Å; F147-I628 HydrophobicContact CG-CG1 4.23Å; F147-I628 HydrophobicContact CZ-CB 4.46Å; F147-I628 HydrophobicContact CZ-CD1 4.13Å; F147-I628 HydrophobicContact CZ-CG1 4.17Å; F147-I628 HydrophobicContact CZ-CG2 3.46Å; F147-I628 VanDerWaalsContact CZ-CG2 3.46Å
148	I	95.7	Very high	94.7	Very high	100 Å²	100	66.1 Å²	66.1	51%	0.513	34%	0.342	S	S	.	.	H	α-helix	trans	-61	-48.8	175.3	-68.2	167.1	0	0	0	110.2	I144 S145 C150 I151 T152	I144-I148 HydrophobicContact CG2-CD1 3.63Å; I144-I148 HydrophobicContact CG2-CG1 4.34Å; I144-I148 VanDerWaalsContact O-CG1 3.26Å; I144-I148 WeakPolarHBondContact O-CG1 2.88Å; I144-I148 PolarHBondContact O-N 2.79Å; S145-I148 PolarHBondContact O-N 2.93Å; I148-C150 VanDerWaalsContact C-N 3.35Å; I148-C150 PolarHBondContact O-N 3.23Å; I148-I151 PolarHBondContact O-N 2.99Å; I148-T152 HydrophobicContact CG2-CG2 4.43Å; I148-T152 WeakPolarHBondContact O-CG2 3.3Å; I148-T152 PolarHBondContact O-N 2.92Å; I148-T152 PolarHBondContact O-OG1 3.29Å
149	G	95.1	Very high	94.8	Very high	10 Å²	10	64.9 Å²	64.9	10%	0.103	34%	0.336	C	S	.	.	H	α-helix	trans	-56.1	-47	176.1	0	0	0	0	0	112.3	S145 F146 I151 T152 C153	S145-G149 PolarHBondContact O-N 3.22Å; F146-G149 PolarHBondContact O-N 2.96Å; G149-I151 PolarHBondContact O-N 2.81Å; G149-T152 WeakPolarHBondContact CA-OG1 3.4Å; G149-T152 PolarHBondContact O-N 3.24Å; G149-T152 PolarHBondContact O-OG1 2.77Å; G149-C153 PolarHBondContact O-N 3.32Å; G149-C153 PolarHBondContact O-SG 2.82Å
150	C	95.3	Very high	94.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-57	-48.8	175.9	-166.9	0	0	0	0	112.2	F146 F147 I148 T152 C153 L154 W627 I628	F146-C150 WeakPolarHBondContact O-CB 3.49Å; F146-C150 PolarHBondContact O-N 3.25Å; F147-C150 WeakPolarHBondContact O-CB 3.45Å; F147-C150 PolarHBondContact O-N 2.85Å; I148-C150 VanDerWaalsContact C-N 3.35Å; I148-C150 PolarHBondContact O-N 3.23Å; C150-T152 VanDerWaalsContact C-N 3.35Å; C150-T152 PolarHBondContact O-N 3.5Å; C150-C153 PolarHBondContact O-N 2.81Å; C150-L154 WeakPolarHBondContact O-CB 3.11Å; C150-L154 VanDerWaalsContact O-CG 3.23Å; C150-L154 WeakPolarHBondContact O-CG 3.28Å; C150-L154 PolarHBondContact O-N 3.1Å; C150-W627 HydrophobicContact CB-CB 3.5Å; C150-W627 HydrophobicContact CB-CD2 4.43Å; C150-W627 HydrophobicContact CB-CG 3.8Å; C150-I628 HydrophobicContact CB-CD1 3.72Å; C150-I628 HydrophobicContact CB-CG1 3.95Å; C150-I628 VanDerWaalsContact SG-CD1 3.53Å
151	I	95.8	Very high	95	Very high	99 Å²	99	63.2 Å²	63.2	51%	0.508	33%	0.328	S	S	.	.	H	α-helix	trans	-61.1	-46.5	-179.8	-69	165.7	0	0	0	109.5	F147 I148 G149 C153 L154 T155	F147-I151 VanDerWaalsContact O-CG1 3.27Å; F147-I151 WeakPolarHBondContact O-CG1 3.35Å; F147-I151 PolarHBondContact O-N 3.47Å; I148-I151 PolarHBondContact O-N 2.99Å; G149-I151 PolarHBondContact O-N 2.81Å; I151-C153 PolarHBondContact O-N 2.82Å; I151-L154 PolarHBondContact O-N 3.25Å; I151-T155 WeakPolarHBondContact O-CB 3.42Å; I151-T155 PolarHBondContact O-N 3.39Å; I151-T155 PolarHBondContact O-OG1 3.39Å
152	T	96.5	Very high	95.1	Very high	81 Å²	81	63.6 Å²	63.6	50%	0.497	33%	0.33	S	S	.	.	H	α-helix	trans	-61.6	-44.1	179.6	58	0	0	0	0	113.1	I148 G149 C150 T155 F156	I148-T152 HydrophobicContact CG2-CG2 4.43Å; I148-T152 WeakPolarHBondContact O-CG2 3.3Å; I148-T152 PolarHBondContact O-N 2.92Å; I148-T152 PolarHBondContact O-OG1 3.29Å; G149-T152 WeakPolarHBondContact CA-OG1 3.4Å; G149-T152 PolarHBondContact O-N 3.24Å; G149-T152 PolarHBondContact O-OG1 2.77Å; C150-T152 VanDerWaalsContact C-N 3.35Å; C150-T152 PolarHBondContact O-N 3.5Å; T152-T155 PolarHBondContact O-N 2.75Å; T152-F156 PolarHBondContact O-N 3.28Å
153	C	96.2	Very high	95.2	Very high	39 Å²	39	65.8 Å²	65.8	26%	0.264	34%	0.342	S	S	.	.	H	α-helix	trans	-66.3	-40.5	177	-68.1	0	0	0	0	111.9	G149 C150 I151 F156 I157 L623	G149-C153 PolarHBondContact O-N 3.32Å; G149-C153 PolarHBondContact O-SG 2.82Å; C150-C153 PolarHBondContact O-N 2.81Å; I151-C153 PolarHBondContact O-N 2.82Å; C153-F156 PolarHBondContact O-N 2.87Å; C153-I157 WeakPolarHBondContact O-CG1 3.17Å; C153-I157 PolarHBondContact O-N 2.72Å; C153-L623 HydrophobicContact CB-CD1 3.71Å; C153-L623 HydrophobicContact CB-CD2 3.88Å; C153-L623 HydrophobicContact CB-CG 4.46Å
154	L	96.5	Very high	95.2	Very high	30 Å²	30	68 Å²	68	16%	0.157	35%	0.35	C	S	.	.	H	α-helix	trans	-62.8	-44.7	175.4	-73.8	170.3	0	0	0	110.9	C150 I151 F156 I157 I158 I620 L623 L624	C150-L154 WeakPolarHBondContact O-CB 3.11Å; C150-L154 VanDerWaalsContact O-CG 3.23Å; C150-L154 WeakPolarHBondContact O-CG 3.28Å; C150-L154 PolarHBondContact O-N 3.1Å; I151-L154 PolarHBondContact O-N 3.25Å; L154-F156 VanDerWaalsContact C-N 3.31Å; L154-F156 PolarHBondContact O-N 3Å; L154-I157 PolarHBondContact O-N 2.88Å; L154-I158 WeakPolarHBondContact O-CB 3.43Å; L154-I158 WeakPolarHBondContact O-CD1 3.49Å; L154-I158 WeakPolarHBondContact O-CG1 3.4Å; L154-I158 PolarHBondContact O-N 3.34Å; L154-I620 HydrophobicContact CD2-CB 4.21Å; L154-I620 HydrophobicContact CD2-CG1 3.96Å; L154-I620 HydrophobicContact CD2-CG2 3.96Å; L154-L623 HydrophobicContact CD2-CB 4.23Å; L154-L623 HydrophobicContact CD2-CD1 3.88Å; L154-L623 HydrophobicContact CG-CD1 4.18Å; L154-L624 HydrophobicContact CD1-CD2 3.98Å
155	T	96.4	Very high	95.2	Very high	69 Å²	69	68 Å²	68	42%	0.423	35%	0.351	S	S	.	.	H	α-helix	trans	-58.4	-43.4	175	-59	0	0	0	0	111.3	I151 T152 I158 N159	I151-T155 WeakPolarHBondContact O-CB 3.42Å; I151-T155 PolarHBondContact O-N 3.39Å; I151-T155 PolarHBondContact O-OG1 3.39Å; T152-T155 PolarHBondContact O-N 2.75Å; T155-I158 PolarHBondContact O-N 3.35Å; T155-N159 WeakPolarHBondContact O-CB 3.22Å; T155-N159 PolarHBondContact O-N 3.11Å; T155-N159 PolarHBondContact O-ND2 3.49Å
156	F	96	Very high	95.2	Very high	143 Å²	143	66.4 Å²	66.4	63%	0.627	34%	0.338	S	S	*	.	H	α-helix	trans	-61.1	-48.9	178.1	-169.5	-88.3	0	0	0	112.2	T152 C153 L154 N159 Q160	T152-F156 PolarHBondContact O-N 3.28Å; C153-F156 PolarHBondContact O-N 2.87Å; L154-F156 VanDerWaalsContact C-N 3.31Å; L154-F156 PolarHBondContact O-N 3Å; F156-N159 PolarHBondContact O-N 2.67Å; F156-Q160 WeakPolarHBondContact O-CB 3.15Å; F156-Q160 PolarHBondContact O-N 2.94Å
157	I	95.1	Very high	95.3	Very high	18 Å²	18	67.2 Å²	67.2	9%	0.092	35%	0.345	C	S	.	.	H	α-helix	trans	-68.2	-37.5	-179.2	-64.6	-177.1	0	0	0	111.5	C153 L154 Q160 Y161 L616 Q619 L623	C153-I157 WeakPolarHBondContact O-CG1 3.17Å; C153-I157 PolarHBondContact O-N 2.72Å; L154-I157 PolarHBondContact O-N 2.88Å; I157-Q160 PolarHBondContact O-N 3.36Å; I157-Y161 WeakPolarHBondContact O-CB 3.33Å; I157-Y161 PolarHBondContact O-N 3.39Å; I157-L616 HydrophobicContact CG2-CD1 3.65Å; I157-Q619 HydrophobicContact CD1-CB 3.97Å; I157-Q619 HydrophobicContact CG2-CB 4.36Å; I157-L623 HydrophobicContact CD1-CD1 3.38Å; I157-L623 HydrophobicContact CD1-CG 4.16Å; I157-L623 HydrophobicContact CG1-CD1 4.31Å
158	I	95.4	Very high	95.3	Very high	71 Å²	71	68.4 Å²	68.4	36%	0.364	35%	0.351	S	S	.	.	H	α-helix	trans	-64.5	-45	175.2	-69.9	166.1	0	0	0	110	L154 T155 Q160 Y161 L162	L154-I158 WeakPolarHBondContact O-CB 3.43Å; L154-I158 WeakPolarHBondContact O-CD1 3.49Å; L154-I158 WeakPolarHBondContact O-CG1 3.4Å; L154-I158 PolarHBondContact O-N 3.34Å; T155-I158 PolarHBondContact O-N 3.35Å; I158-Q160 PolarHBondContact O-N 3.18Å; I158-Y161 PolarHBondContact O-N 3.41Å; I158-L162 HydrophobicContact CG2-CD1 3.85Å; I158-L162 HydrophobicContact CG2-CG 4.32Å; I158-L162 VanDerWaalsContact O-CG 3.28Å; I158-L162 WeakPolarHBondContact O-CG 3.39Å; I158-L162 PolarHBondContact O-N 3.39Å
159	N	95.6	Very high	95	Very high	85 Å²	85	67 Å²	67	46%	0.455	34%	0.342	S	S	.	.	H	α-helix	trans	-60.7	-46	176.2	-71.5	-12.8	0	0	0	111.3	T155 F156 Y161 L162 E163	T155-N159 WeakPolarHBondContact O-CB 3.22Å; T155-N159 PolarHBondContact O-N 3.11Å; T155-N159 PolarHBondContact O-ND2 3.49Å; F156-N159 PolarHBondContact O-N 2.67Å; N159-Y161 VanDerWaalsContact C-N 3.25Å; N159-Y161 PolarHBondContact O-N 3.14Å; N159-L162 CarbonylContact O-C 3.54Å; N159-L162 PolarHBondContact O-N 3.45Å; N159-E163 WeakPolarHBondContact O-CG 2.96Å; N159-E163 PolarHBondContact O-N 2.81Å
160	Q	94.5	Very high	94.9	Very high	62 Å²	62	71.3 Å²	71.3	29%	0.29	37%	0.368	S	S	.	.	H	α-helix	trans	-59.7	-34.8	176.1	-171.6	-179.5	10	0	0	112.7	F156 I157 I158 V611	F156-Q160 WeakPolarHBondContact O-CB 3.15Å; F156-Q160 PolarHBondContact O-N 2.94Å; I157-Q160 PolarHBondContact O-N 3.36Å; I158-Q160 PolarHBondContact O-N 3.18Å; Q160-V611 HydrophobicContact CG-CG2 4.06Å
161	Y	94.8	Very high	94.9	Very high	53 Å²	53	75.1 Å²	75.1	21%	0.208	39%	0.385	C	S	.	.	H	α-helix	trans	-70.9	-38.2	173.6	173.9	-100.4	0	0	0	112.4	I157 I158 N159 E163 F164 V611 L616	I157-Y161 WeakPolarHBondContact O-CB 3.33Å; I157-Y161 PolarHBondContact O-N 3.39Å; I158-Y161 PolarHBondContact O-N 3.41Å; N159-Y161 VanDerWaalsContact C-N 3.25Å; N159-Y161 PolarHBondContact O-N 3.14Å; Y161-E163 VanDerWaalsContact C-N 3.28Å; Y161-E163 PolarHBondContact O-N 2.84Å; Y161-F164 PolarHBondContact O-N 2.84Å; Y161-V611 HydrophobicContact CD2-CB 4.33Å; Y161-V611 HydrophobicContact CD2-CG1 4.04Å; Y161-L616 HydrophobicContact CD1-CD2 3.72Å; Y161-L616 HydrophobicContact CD2-CB 4.26Å; Y161-L616 HydrophobicContact CD2-CD2 3.86Å; Y161-L616 HydrophobicContact CD2-CG 4.48Å; Y161-L616 HydrophobicContact CE1-CD2 3.95Å; Y161-L616 HydrophobicContact CE2-CD2 4.07Å; Y161-L616 HydrophobicContact CG-CD1 4.3Å; Y161-L616 HydrophobicContact CG-CD2 3.67Å; Y161-L616 HydrophobicContact CG-CG 4.42Å
162	L	95.6	Very high	94.9	Very high	94 Å²	94	74.9 Å²	74.9	49%	0.492	38%	0.38	S	S	.	.	H	α-helix	trans	-75.6	-12.3	178.9	-67.1	175.2	0	0	0	113.8	I158 N159 F164	I158-L162 HydrophobicContact CG2-CD1 3.85Å; I158-L162 HydrophobicContact CG2-CG 4.32Å; I158-L162 VanDerWaalsContact O-CG 3.28Å; I158-L162 WeakPolarHBondContact O-CG 3.39Å; I158-L162 PolarHBondContact O-N 3.39Å; N159-L162 CarbonylContact O-C 3.54Å; N159-L162 PolarHBondContact O-N 3.45Å; L162-F164 HydrophobicContact CD2-CZ 4.43Å; L162-F164 WeakPolarHBondContact O-CD2 3.44Å; L162-F164 WeakPolarHBondContact O-CE2 3.36Å; L162-F164 PolarHBondContact O-N 3.07Å
163	E	94.9	Very high	94.8	Very high	120 Å²	120	73.1 Å²	73.1	56%	0.561	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.4	168.2	-75.8	168.2	175.2	0	0	111.9	N159 Y161 D165	N159-E163 WeakPolarHBondContact O-CG 2.96Å; N159-E163 PolarHBondContact O-N 2.81Å; Y161-E163 VanDerWaalsContact C-N 3.28Å; Y161-E163 PolarHBondContact O-N 2.84Å; E163-D165 PolarHBondContact O-N 2.9Å
164	F	94.2	Very high	94.7	Very high	62 Å²	62	78.4 Å²	78.4	27%	0.272	38%	0.383	S	S	.	.			trans	58.3	22	-179.1	-59.5	-74.8	0	0	0	115.1	Y161 L162 P381 H382	Y161-F164 PolarHBondContact O-N 2.84Å; L162-F164 HydrophobicContact CD2-CZ 4.43Å; L162-F164 WeakPolarHBondContact O-CD2 3.44Å; L162-F164 WeakPolarHBondContact O-CE2 3.36Å; L162-F164 PolarHBondContact O-N 3.07Å; F164-P381 HydrophobicContact CD1-CB 3.94Å; F164-P381 HydrophobicContact CD1-CG 3.62Å; F164-P381 HydrophobicContact CD2-CB 4.07Å; F164-P381 HydrophobicContact CE1-CB 4.05Å; F164-P381 HydrophobicContact CE1-CG 3.57Å; F164-P381 HydrophobicContact CE2-CB 4.18Å; F164-P381 HydrophobicContact CG-CB 3.95Å; F164-P381 HydrophobicContact CG-CG 4.17Å; F164-P381 HydrophobicContact CZ-CB 4.17Å; F164-P381 HydrophobicContact CZ-CG 4.07Å; F164-H382 AromaticContact CD1-CE1 3.78Å; F164-H382 PolarHBondContact O-ND1 2.99Å
165	D	94.9	Very high	94.4	Very high	87 Å²	87	82.8 Å²	82.8	47%	0.465	41%	0.406	S	S	.	.			trans	-52.6	145.9	-178.5	-82.7	-5.9	0	0	0	114.3	E163 V610	E163-D165 PolarHBondContact O-N 2.9Å; D165-V610 HydrophobicContact CB-CB 4.18Å; D165-V610 HydrophobicContact CB-CG2 3.86Å; D165-V610 PolarHBondContact O-N 3.49Å
166	V	94.5	Very high	94.2	Very high	35 Å²	35	83.8 Å²	83.8	21%	0.212	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	140.4	-176.6	173.7	0	0	0	0	110.3	M378 H382 E607 K608	V166-M378 HydrophobicContact CG1-SD 4.46Å; V166-M378 HydrophobicContact CG2-SD 4.05Å; V166-H382 HydrophobicContact CG2-CB 3.83Å; V166-H382 WeakPolarHBondContact CG2-O 3.49Å; V166-E607 HydrophobicContact CG1-CB 3.42Å; V166-E607 VanDerWaalsContact CG1-CB 3.42Å; V166-E607 HydrophobicContact CG1-CG 3.6Å; V166-K608 CarbonylContact C-O 3.59Å; V166-K608 VanDerWaalsContact CA-O 3.29Å; V166-K608 WeakPolarHBondContact CA-O 3.44Å
167	I	94.2	Very high	93.8	Very high	82 Å²	82	79.6 Å²	79.6	42%	0.421	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.2	171.9	-170.4	169.2	0	0	0	110.9	Q169 K608 V610	I167-Q169 HydrophobicContact CG2-CG 4.43Å; I167-K608 HydrophobicContact CG2-CB 4.21Å; I167-K608 WeakPolarHBondContact CG2-O 3.43Å; I167-K608 PolarHBondContact N-O 2.58Å; I167-K608 PolarHBondContact O-N 3.46Å; I167-V610 HydrophobicContact CB-CG2 4.22Å
168	H	93.6	Very high	93.7	Very high	96 Å²	96	81.5 Å²	81.5	44%	0.444	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.6	174.3	-57.2	86.2	0	0	0	110.4	P170 V605 E607	H168-P170 WeakPolarHBondContact O-CD 3.46Å; H168-V605 HydrophobicContact CB-CG1 3.93Å; H168-E607 VanDerWaalsContact CD2-CG 3.49Å; H168-E607 WeakPolarHBondContact CD2-CG 3.34Å; H168-E607 IonicContact CD2-OE1 3.35Å; H168-E607 WeakPolarHBondContact NE2-CG 3.26Å; H168-E607 IonicContact NE2-OE1 2.86Å; H168-E607 PolarHBondContact NE2-OE1 2.96Å
169	Q	90.5	Very high	93.6	Very high	72 Å²	72	80.1 Å²	80.1	34%	0.336	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	99.9	178.4	-67.3	-173.5	-17.3	0	0	110.3	I167 E606	I167-Q169 HydrophobicContact CG2-CG 4.43Å; Q169-E606 PolarHBondContact N-O 2.93Å; Q169-E606 PolarHBondContact O-N 2.86Å
170	P	93.5	Very high	93.6	Very high	99 Å²	99	76.4 Å²	76.4	64%	0.643	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	133.6	175.1	28.7	-33.4	0	0	0	110.3	H168 R604 V605	H168-P170 WeakPolarHBondContact O-CD 3.46Å; P170-R604 CarbonylContact C-O 3.52Å; P170-R604 WeakPolarHBondContact CA-O 3.41Å; P170-V605 HydrophobicContact CB-CG2 4.47Å
171	K	95.2	Very high	93.7	Very high	80 Å²	80	73.6 Å²	73.6	35%	0.348	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	127	176	-65.8	172.1	-175.9	164.1	0	109	R604 E606	K171-R604 PolarHBondContact N-O 2.77Å; K171-R604 PolarHBondContact O-N 2.96Å; K171-E606 IonicContact NZ-OE2 3.75Å; K171-E606 PolarHBondContact NZ-OE2 2.9Å
172	K	95.1	Very high	93.8	Very high	94 Å²	94	71.1 Å²	71.1	41%	0.409	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119.4	170.8	-169.1	169.4	179.7	179.7	0	109.8	Y174 D601	K172-Y174 HydrophobicContact CD-CE1 3.98Å; K172-Y174 HydrophobicContact CG-CE1 4.24Å; K172-D601 WeakPolarHBondContact CE-OD2 3.42Å; K172-D601 IonicContact NZ-OD2 3.06Å; K172-D601 PolarHBondContact NZ-OD2 2.88Å
173	L	94.9	Very high	93.9	Very high	45 Å²	45	66.8 Å²	66.8	24%	0.236	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.1	175.8	-57.4	173.4	0	0	0	108.3	Q176 D601 L602 R604	L173-Q176 HydrophobicContact CB-CB 4.37Å; L173-Q176 HydrophobicContact CB-CG 3.79Å; L173-D601 CarbonylContact O-C 3.55Å; L173-D601 WeakPolarHBondContact O-CA 3.26Å; L173-L602 HydrophobicContact CB-CB 4.39Å; L173-L602 HydrophobicContact CD1-CD2 4.38Å; L173-L602 PolarHBondContact N-O 3.44Å; L173-L602 PolarHBondContact O-N 2.63Å; L173-R604 HydrophobicContact CD1-CB 4.03Å; L173-R604 VanDerWaalsContact CD1-CZ 3.43Å
174	Y	93.9	Very high	94.1	Very high	149 Å²	149	61 Å²	61	58%	0.584	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	145.4	-178.2	-60.2	-81.6	0	0	0	111.1	K172 Q176 D601	K172-Y174 HydrophobicContact CD-CE1 3.98Å; K172-Y174 HydrophobicContact CG-CE1 4.24Å; Y174-Q176 VanDerWaalsContact C-N 3.28Å; Y174-Q176 PolarHBondContact O-N 3.32Å; Y174-D601 WeakPolarHBondContact CA-OD1 3.34Å; Y174-D601 WeakPolarHBondContact CD1-OD1 3.24Å; Y174-D601 WeakPolarHBondContact CD1-OD2 3.35Å
175	D	90.4	Very high	94.2	Very high	122 Å²	122	58.2 Å²	58.2	65%	0.652	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	42.2	177.6	-66.2	-43.8	0	0	0	114.2	P177	D175-P177 VanDerWaalsContact O-CD 3.23Å; D175-P177 WeakPolarHBondContact O-CD 3Å
176	Q	91.2	Very high	94.3	Very high	91 Å²	91	54 Å²	54	43%	0.425	27%	0.269	S	S	.	.			trans	-109.8	80.4	174.4	-67.4	-58.7	-55.3	0	0	109.8	L173 Y174 R178 F600 L602	L173-Q176 HydrophobicContact CB-CB 4.37Å; L173-Q176 HydrophobicContact CB-CG 3.79Å; Y174-Q176 VanDerWaalsContact C-N 3.28Å; Y174-Q176 PolarHBondContact O-N 3.32Å; Q176-R178 PolarHBondContact O-N 3.46Å; Q176-F600 CarbonylContact C-O 3.5Å; Q176-F600 VanDerWaalsContact C-O 3.24Å; Q176-F600 PolarHBondContact N-O 3.43Å; Q176-L602 HydrophobicContact CB-CB 4.09Å; Q176-L602 HydrophobicContact CB-CD2 4.41Å
177	P	88.8	Confident	94.3	Very high	54 Å²	54	52.5 Å²	52.5	35%	0.351	26%	0.259	S	S	.	.			trans	-62	126.1	-174	26.4	-35.2	0	0	0	111.2	D175 N305 F600	D175-P177 VanDerWaalsContact O-CD 3.23Å; D175-P177 WeakPolarHBondContact O-CD 3Å; P177-N305 HydrophobicContact CB-CB 4.34Å; P177-F600 HydrophobicContact CB-CB 4.32Å; P177-F600 HydrophobicContact CB-CD1 3.57Å; P177-F600 HydrophobicContact CB-CE1 4.23Å; P177-F600 HydrophobicContact CB-CG 4.24Å
178	R	92.4	Very high	94.2	Very high	58 Å²	58	48.8 Å²	48.8	22%	0.219	24%	0.24	C	C	.	.			trans	-108.3	163.7	171.6	-68.6	-50.7	-170.8	-160.4	3.8	111.6	Q176 N305 V372 E374 Y500 R597 L602	Q176-R178 PolarHBondContact O-N 3.46Å; R178-N305 PolarHBondContact O-OD1 2.87Å; R178-V372 HydrophobicContact CB-CG1 3.91Å; R178-V372 HydrophobicContact CG-CG1 4.19Å; R178-E374 IonicContact CZ-OE2 2.67Å; R178-E374 IonicContact NE-OE2 3.14Å; R178-E374 PolarHBondContact NE-OE2 3.3Å; R178-E374 VanDerWaalsContact NE-OE2 3.12Å; R178-E374 IonicContact NH2-OE1 3.72Å; R178-E374 IonicContact NH2-OE2 2.72Å; R178-E374 PolarHBondContact NH2-OE2 3.45Å; R178-Y500 HydrophobicContact CG-CD1 4.41Å; R178-Y500 HydrophobicContact CG-CE1 3.93Å; R178-R597 PolarHBondContact O-NH1 3.02Å; R178-R597 PolarHBondContact O-NH2 3.31Å; R178-L602 HydrophobicContact CG-CD1 3.62Å; R178-L602 HydrophobicContact CG-CD2 3.92Å; R178-L602 HydrophobicContact CG-CG 4.27Å; R178-L602 VanDerWaalsContact NE-CD2 3.34Å
179	P	93.5	Very high	94.1	Very high	43 Å²	43	45.5 Å²	45.5	28%	0.279	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-55.1	144.9	178.1	-28	36.7	0	0	0	112.1	N305 Y502 R597	P179-N305 WeakPolarHBondContact CA-OD1 3.12Å; P179-N305 VanDerWaalsContact N-OD1 3.16Å; P179-Y502 PolarHBondContact O-OH 2.73Å; P179-R597 PolarHBondContact O-NH2 3.19Å
180	F	95.5	Very high	94.1	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.026	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-68.4	141.4	169.1	-162.8	-89.1	0	0	0	109.4	V183 I299 T304 A307 M310 F370 I595 R597	F180-V183 HydrophobicContact CE1-CG2 4.38Å; F180-I299 HydrophobicContact CB-CD1 3.88Å; F180-I299 HydrophobicContact CD1-CD1 3.68Å; F180-I299 HydrophobicContact CE1-CD1 4.46Å; F180-I299 HydrophobicContact CG-CD1 3.88Å; F180-T304 PolarHBondContact N-O 3.4Å; F180-T304 VanDerWaalsContact N-O 3.17Å; F180-A307 HydrophobicContact CB-CB 3.93Å; F180-A307 HydrophobicContact CD2-CB 3.69Å; F180-A307 HydrophobicContact CE2-CB 4.43Å; F180-A307 HydrophobicContact CG-CB 3.9Å; F180-M310 HydrophobicContact CE1-CB 4.25Å; F180-M310 HydrophobicContact CZ-CB 4.08Å; F180-F370 HydrophobicContact CD2-CE1 4.12Å; F180-F370 AromaticContact CD2-CZ 3.72Å; F180-F370 HydrophobicContact CD2-CZ 3.72Å; F180-F370 AromaticContact CE2-CE1 3.57Å; F180-F370 HydrophobicContact CE2-CE1 3.57Å; F180-F370 AromaticContact CE2-CZ 3.65Å; F180-F370 HydrophobicContact CE2-CZ 3.65Å; F180-F370 HydrophobicContact CG-CZ 4.43Å; F180-F370 AromaticContact CZ-CE1 3.88Å; F180-F370 HydrophobicContact CZ-CE1 3.88Å; F180-F370 HydrophobicContact CZ-CZ 4.3Å; F180-I595 HydrophobicContact CE1-CG2 4.47Å; F180-I595 HydrophobicContact CZ-CB 4.39Å; F180-I595 HydrophobicContact CZ-CG2 3.95Å; F180-R597 VanDerWaalsContact CA-NH2 3.33Å
181	P	96.8	Very high	93.9	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.019	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-63.5	154.9	-179.4	25.5	-33.7	0	0	0	112	L344 H345 F370 Y502	P181-L344 HydrophobicContact CB-CB 4.24Å; P181-L344 HydrophobicContact CG-CB 4.43Å; P181-L344 HydrophobicContact CG-CD2 4.3Å; P181-H345 WeakPolarHBondContact CA-O 3.24Å; P181-H345 WeakPolarHBondContact CB-O 3.27Å; P181-F370 VanDerWaalsContact CD-CZ 3.5Å; P181-F370 HydrophobicContact CG-CD1 4.44Å; P181-F370 HydrophobicContact CG-CE1 4.17Å; P181-F370 HydrophobicContact CG-CE2 4.35Å; P181-F370 HydrophobicContact CG-CZ 4.11Å; P181-Y502 HydrophobicContact CB-CD1 3.77Å; P181-Y502 HydrophobicContact CB-CD2 3.78Å; P181-Y502 HydrophobicContact CB-CE1 3.84Å; P181-Y502 HydrophobicContact CB-CE2 3.87Å; P181-Y502 HydrophobicContact CB-CG 3.73Å; P181-Y502 HydrophobicContact CG-CD1 3.86Å; P181-Y502 HydrophobicContact CG-CE1 4.1Å; P181-Y502 HydrophobicContact CG-CG 4.17Å
182	S	97.1	Very high	93.7	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.014	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	145.7	158.9	-76.6	0	0	0	0	109.2	Y297 T298 H345 G347 A348	S182-Y297 WeakPolarHBondContact CA-O 3.46Å; S182-T298 WeakPolarHBondContact OG-CG2 3.47Å; S182-T298 PolarHBondContact OG-OG1 2.85Å; S182-H345 WeakPolarHBondContact CB-CE1 3.42Å; S182-H345 PolarHBondContact N-O 2.93Å; S182-H345 PolarHBondContact O-N 2.79Å; S182-G347 WeakPolarHBondContact OG-CA 3.4Å; S182-A348 PolarHBondContact OG-N 3.31Å
183	V	97.7	Very high	93.3	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	111.3	-176	-178.6	0	0	0	0	108.4	F180 T296 Y297 M310 L342 L343 L344 I595	F180-V183 HydrophobicContact CE1-CG2 4.38Å; V183-T296 CarbonylContact O-C 3.59Å; V183-T296 WeakPolarHBondContact O-CA 3.46Å; V183-Y297 PolarHBondContact N-O 3.13Å; V183-Y297 PolarHBondContact O-N 2.9Å; V183-M310 HydrophobicContact CB-SD 4.25Å; V183-M310 HydrophobicContact CG2-SD 3.82Å; V183-L342 HydrophobicContact CG1-CD1 3.92Å; V183-L342 HydrophobicContact CG1-CD2 4.32Å; V183-L342 HydrophobicContact CG1-CG 4.02Å; V183-L343 WeakPolarHBondContact CA-O 3.42Å; V183-L344 HydrophobicContact CG1-CD2 4.4Å; V183-L344 HydrophobicContact CG2-CD2 3.84Å; V183-I595 HydrophobicContact CB-CD1 4.18Å; V183-I595 HydrophobicContact CG1-CD1 3.49Å; V183-I595 VanDerWaalsContact CG1-CD1 3.49Å; V183-I595 HydrophobicContact CG2-CD1 3.59Å
184	T	98	Very high	93	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	133.5	170.9	-47.2	0	0	0	0	110.2	C294 Y295 T296 L342 L343 H345 P351 V353	T184-C294 HydrophobicContact CG2-CB 4.04Å; T184-Y295 CarbonylContact C-O 3.49Å; T184-Y295 WeakPolarHBondContact CA-O 3.17Å; T184-T296 VanDerWaalsContact CG2-OG1 3.32Å; T184-T296 WeakPolarHBondContact CG2-OG1 3.43Å; T184-T296 PolarHBondContact OG1-OG1 3.23Å; T184-L342 CarbonylContact O-C 3.57Å; T184-L342 VanDerWaalsContact O-CA 3.25Å; T184-L342 WeakPolarHBondContact O-CA 3.34Å; T184-L343 PolarHBondContact N-O 3.04Å; T184-L343 PolarHBondContact O-N 3.45Å; T184-H345 PolarHBondContact OG1-CD2 3.1Å; T184-H345 PolarHBondContact OG1-NE2 3.49Å; T184-P351 HydrophobicContact CG2-CB 3.94Å; T184-P351 HydrophobicContact CG2-CG 4.25Å; T184-P351 WeakPolarHBondContact OG1-CB 3.21Å; T184-V353 HydrophobicContact CG2-CG2 3.39Å
185	L	97.2	Very high	92.8	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	131.5	177.9	-178	71.3	0	0	0	109.5	I258 V259 Y295 V314 A340 R341 L342 I593	L185-I258 HydrophobicContact CD2-CG2 3.57Å; L185-I258 HydrophobicContact CG-CG2 4.27Å; L185-V259 HydrophobicContact CD2-CG2 3.82Å; L185-Y295 PolarHBondContact N-O 2.99Å; L185-Y295 PolarHBondContact O-N 2.82Å; L185-V314 HydrophobicContact CD2-CG1 4.38Å; L185-V314 HydrophobicContact CD2-CG2 3.64Å; L185-A340 HydrophobicContact CD1-CB 3.74Å; L185-R341 WeakPolarHBondContact CA-O 3.39Å; L185-L342 HydrophobicContact CD1-CD1 4.5Å; L185-I593 HydrophobicContact CD1-CD1 4.02Å
186	C	95.9	Very high	92.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	149.7	170.8	-41.4	0	0	0	0	109.5	F291 C294 A340 R341 V353	C186-F291 HydrophobicContact CB-CB 3.79Å; C186-F291 HydrophobicContact CB-CG 4.2Å; C186-C294 HydrophobicContact CB-CB 4.09Å; C186-C294 WeakPolarHBondContact CB-SG 3.49Å; C186-C294 WeakPolarHBondContact SG-CB 3.4Å; C186-C294 CovalentContact SG-SG 2.01Å; C186-C294 PolarHBondContact SG-SG 2.7Å; C186-A340 CarbonylContact O-C 3.57Å; C186-A340 WeakPolarHBondContact O-CA 3.41Å; C186-R341 PolarHBondContact N-O 3.03Å; C186-R341 PolarHBondContact O-N 2.81Å; C186-V353 VanDerWaalsContact SG-CG1 3.56Å
187	N	94.5	Very high	92.7	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.011	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	142	161	-163.5	-27.2	0	0	0	108.2	R189 H253 I258 L316 G339	N187-R189 WeakPolarHBondContact CB-O 3.4Å; N187-R189 PolarHBondContact O-N 2.79Å; N187-R189 PolarHBondContact OD1-N 3.11Å; N187-R189 VanDerWaalsContact OD1-N 3.09Å; N187-H253 PolarHBondContact ND2-CD2 3.04Å; N187-H253 PolarHBondContact ND2-CE1 2.75Å; N187-H253 VanDerWaalsContact ND2-CE1 3.27Å; N187-H253 PolarHBondContact ND2-NE2 2.82Å; N187-I258 HydrophobicContact CB-CD1 4.33Å; N187-L316 PolarHBondContact ND2-O 2.96Å; N187-G339 PolarHBondContact OD1-O 2.8Å
188	L	92.4	Very high	92.8	Very high	5 Å²	5	23 Å²	23	3%	0.026	10%	0.1	C	C	.	.	S	Bend	trans	-65.7	-23.7	173.1	-71	173.5	0	0	0	111.8	F291 L337 G339 R341	L188-F291 HydrophobicContact CD2-CD1 4.28Å; L188-F291 HydrophobicContact CD2-CE1 3.57Å; L188-F291 HydrophobicContact CD2-CZ 4.16Å; L188-L337 HydrophobicContact CD1-CB 3.74Å; L188-G339 WeakPolarHBondContact CB-O 3.35Å; L188-G339 WeakPolarHBondContact CG-O 3.25Å; L188-G339 PolarHBondContact N-O 3.34Å; L188-G339 VanDerWaalsContact N-O 3.09Å; L188-R341 HydrophobicContact CD2-CB 3.82Å
189	R	90.8	Very high	92.8	Very high	26 Å²	26	20.2 Å²	20.2	10%	0.098	9%	0.089	C	C	.	.	S	Bend	trans	-94.2	125.9	177.4	-56.7	-78.4	-71.3	160.4	7.3	109.4	N187 H253 C325 D327	N187-R189 WeakPolarHBondContact CB-O 3.4Å; N187-R189 PolarHBondContact O-N 2.79Å; N187-R189 PolarHBondContact OD1-N 3.11Å; N187-R189 VanDerWaalsContact OD1-N 3.09Å; R189-H253 PolarHBondContact O-CD2 3.31Å; R189-H253 PolarHBondContact O-NE2 3.12Å; R189-C325 PolarHBondContact NH1-SG 3.17Å; R189-D327 IonicContact CZ-OD1 2.73Å; R189-D327 IonicContact CZ-OD2 3.84Å; R189-D327 IonicContact NE-OD1 3.92Å; R189-D327 IonicContact NE-OD2 3.96Å; R189-D327 VanDerWaalsContact NH1-CG 3.25Å; R189-D327 IonicContact NH1-OD1 3.22Å; R189-D327 PolarHBondContact NH1-OD1 3.41Å; R189-D327 IonicContact NH1-OD2 3.42Å; R189-D327 PolarHBondContact NH1-OD2 3.37Å; R189-D327 IonicContact NH2-OD1 3.32Å; R189-D327 PolarHBondContact NH2-OD1 3.33Å; R189-D327 IonicContact NH2-OD2 3.04Å; R189-D327 PolarHBondContact NH2-OD2 3.31Å
190	P	90.7	Very high	92.7	Very high	7 Å²	7	21.8 Å²	21.8	5%	0.045	9%	0.092	C	C	.	.	S	Bend	trans	-74.9	-27.5	-175.2	28	-35.1	0	0	0	113.6	F235 G252 H292 D327	P190-F235 HydrophobicContact CB-CE1 3.63Å; P190-F235 HydrophobicContact CB-CE2 4.46Å; P190-F235 HydrophobicContact CB-CZ 3.53Å; P190-F235 HydrophobicContact CG-CE1 4.07Å; P190-F235 HydrophobicContact CG-CE2 4.03Å; P190-F235 HydrophobicContact CG-CZ 3.56Å; P190-G252 WeakPolarHBondContact O-CA 3.49Å; P190-H292 HydrophobicContact CB-CB 3.94Å; P190-D327 WeakPolarHBondContact CD-OD2 3.33Å; P190-D327 HydrophobicContact CG-CB 4.21Å
191	F	90.9	Very high	92.5	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.013	13%	0.129	C	C	.	.	S	Bend	trans	-113.3	139.5	-176.2	-59.3	-50.5	0	0	0	112.9	D195 I196 L199 F235 Y238 L239 L251 H253 F326 D327	F191-D195 HydrophobicContact CB-CB 4.44Å; F191-I196 HydrophobicContact CB-CD1 4.35Å; F191-I196 HydrophobicContact CB-CG1 3.86Å; F191-L199 HydrophobicContact CD1-CD1 4.3Å; F191-L199 HydrophobicContact CD2-CD1 4.05Å; F191-L199 HydrophobicContact CE1-CD1 4.26Å; F191-L199 HydrophobicContact CE2-CD1 4.02Å; F191-L199 HydrophobicContact CG-CD1 4.2Å; F191-L199 HydrophobicContact CZ-CD1 4.12Å; F191-F235 HydrophobicContact CE1-CZ 4.08Å; F191-F235 AromaticContact CE2-CE2 3.96Å; F191-F235 HydrophobicContact CE2-CE2 3.96Å; F191-F235 AromaticContact CE2-CZ 3.82Å; F191-F235 HydrophobicContact CE2-CZ 3.82Å; F191-F235 AromaticContact CZ-CE2 3.97Å; F191-F235 HydrophobicContact CZ-CE2 3.97Å; F191-F235 AromaticContact CZ-CZ 3.5Å; F191-F235 HydrophobicContact CZ-CZ 3.5Å; F191-F235 VanDerWaalsContact CZ-CZ 3.5Å; F191-Y238 HydrophobicContact CE2-CE1 4.06Å; F191-Y238 AromaticContact CZ-CE1 4Å; F191-Y238 HydrophobicContact CZ-CE1 4Å; F191-L239 HydrophobicContact CE1-CD2 3.76Å; F191-L239 HydrophobicContact CZ-CD2 3.64Å; F191-L251 HydrophobicContact CD1-CB 4.12Å; F191-L251 HydrophobicContact CD1-CD1 4.48Å; F191-L251 HydrophobicContact CE1-CB 3.99Å; F191-L251 HydrophobicContact CE1-CD1 3.8Å; F191-L251 HydrophobicContact CZ-CD1 4.48Å; F191-H253 PolarHBondContact O-NE2 3.15Å; F191-F326 HydrophobicContact CD2-CD1 4.5Å; F191-D327 HydrophobicContact CD2-CB 3.78Å; F191-D327 HydrophobicContact CE2-CB 4.22Å
192	S	89.9	Confident	92.3	Very high	4 Å²	4	32 Å²	32	3%	0.028	14%	0.143	C	C	.	.			trans	-72.2	157.5	167.1	70.5	0	0	0	0	111.5	R194 D195 I196 H253 D317	S192-R194 PolarHBondContact O-N 3.23Å; S192-D195 PolarHBondContact O-N 3.28Å; S192-D195 PolarHBondContact OG-N 3.5Å; S192-D195 PolarHBondContact OG-OD2 2.83Å; S192-I196 WeakPolarHBondContact O-CG1 3.41Å; S192-I196 PolarHBondContact O-N 3.09Å; S192-H253 VanDerWaalsContact CA-CE1 3.44Å; S192-H253 WeakPolarHBondContact CA-CE1 3.39Å; S192-D317 WeakPolarHBondContact CA-OD2 3.29Å
193	T	87.9	Confident	92.1	Very high	9 Å²	9	38 Å²	38	6%	0.055	17%	0.171	C	C	.	.	H	α-helix	trans	-51.6	-40.6	172.2	-65.9	0	0	0	0	111.6	I196 R197 D317 L319	T193-I196 PolarHBondContact O-N 2.99Å; T193-R197 VanDerWaalsContact CG2-NH2 3.33Å; T193-R197 WeakPolarHBondContact O-CG 3.45Å; T193-R197 PolarHBondContact O-N 3.1Å; T193-R197 VanDerWaalsContact O-N 3.1Å; T193-D317 WeakPolarHBondContact CB-OD1 3.41Å; T193-D317 WeakPolarHBondContact CB-OD2 3.36Å; T193-D317 PolarHBondContact N-OD2 3.2Å; T193-D317 VanDerWaalsContact OG1-CG 3.23Å; T193-D317 PolarHBondContact OG1-OD1 3.04Å; T193-D317 PolarHBondContact OG1-OD2 3.02Å; T193-L319 HydrophobicContact CG2-CD1 4.24Å; T193-L319 HydrophobicContact CG2-CD2 3.72Å; T193-L319 HydrophobicContact CG2-CG 4.34Å; T193-L319 WeakPolarHBondContact OG1-CD1 3.41Å; T193-L319 VanDerWaalsContact OG1-CD2 3.27Å; T193-L319 WeakPolarHBondContact OG1-CD2 3.02Å; T193-L319 VanDerWaalsContact OG1-CG 3.22Å; T193-L319 WeakPolarHBondContact OG1-CG 3.27Å
194	R	87	Confident	91.9	Very high	47 Å²	47	38 Å²	38	18%	0.177	17%	0.17	C	C	.	.	H	α-helix	trans	-62.4	-42.8	177.5	-175.3	-172.7	68.7	178.1	-4.2	111.7	S192 R197 K198	S192-R194 PolarHBondContact O-N 3.23Å; R194-R197 PolarHBondContact O-N 3.36Å; R194-K198 WeakPolarHBondContact O-CG 3.48Å; R194-K198 PolarHBondContact O-N 2.77Å
195	D	90.8	Very high	91.6	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-71.1	-39	-179.7	-59.3	-29.9	0	0	0	111.1	F191 S192 R197 K198 L199 L251 G252	F191-D195 HydrophobicContact CB-CB 4.44Å; S192-D195 PolarHBondContact O-N 3.28Å; S192-D195 PolarHBondContact OG-N 3.5Å; S192-D195 PolarHBondContact OG-OD2 2.83Å; D195-R197 VanDerWaalsContact C-N 3.3Å; D195-R197 PolarHBondContact O-N 3.45Å; D195-K198 WeakPolarHBondContact O-CB 3.46Å; D195-K198 PolarHBondContact O-N 3.18Å; D195-K198 VanDerWaalsContact O-N 3.08Å; D195-L199 VanDerWaalsContact O-CG 3.27Å; D195-L199 WeakPolarHBondContact O-CG 3.45Å; D195-L199 PolarHBondContact O-N 2.73Å; D195-L251 HydrophobicContact CB-CD2 4.04Å; D195-G252 WeakPolarHBondContact OD2-CA 3.39Å; D195-G252 PolarHBondContact OD2-N 3.2Å
196	I	90.4	Very high	91.4	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-57.6	-43.3	172.9	-66.9	168.6	0	0	0	110.9	F191 S192 T193 K198 L199 K200 L319 F326	F191-I196 HydrophobicContact CB-CD1 4.35Å; F191-I196 HydrophobicContact CB-CG1 3.86Å; S192-I196 WeakPolarHBondContact O-CG1 3.41Å; S192-I196 PolarHBondContact O-N 3.09Å; T193-I196 PolarHBondContact O-N 2.99Å; I196-K198 VanDerWaalsContact C-N 3.33Å; I196-K198 PolarHBondContact O-N 3.08Å; I196-L199 PolarHBondContact O-N 2.94Å; I196-K200 HydrophobicContact CG2-CD 4.09Å; I196-K200 HydrophobicContact CG2-CG 4.37Å; I196-K200 WeakPolarHBondContact O-CB 3.25Å; I196-K200 WeakPolarHBondContact O-CG 3.49Å; I196-K200 PolarHBondContact O-N 3.39Å; I196-L319 HydrophobicContact CD1-CD1 3.75Å; I196-F326 HydrophobicContact CG1-CB 4.41Å; I196-F326 HydrophobicContact CG1-CD1 4.47Å; I196-F326 HydrophobicContact CG2-CB 3.9Å; I196-F326 HydrophobicContact CG2-CD2 4.33Å; I196-F326 HydrophobicContact CG2-CG 3.99Å
197	R	88.9	Confident	91.2	Very high	149 Å²	149	38.4 Å²	38.4	56%	0.562	17%	0.174	S	C	*	.	H	α-helix	trans	-61.3	-40.5	175.5	-68.9	174.6	-168.8	142.3	3.1	112.2	T193 R194 D195 K201 E553	T193-R197 VanDerWaalsContact CG2-NH2 3.33Å; T193-R197 WeakPolarHBondContact O-CG 3.45Å; T193-R197 PolarHBondContact O-N 3.1Å; T193-R197 VanDerWaalsContact O-N 3.1Å; R194-R197 PolarHBondContact O-N 3.36Å; D195-R197 VanDerWaalsContact C-N 3.3Å; D195-R197 PolarHBondContact O-N 3.45Å; R197-K201 WeakPolarHBondContact O-CB 3.39Å; R197-K201 PolarHBondContact O-N 3.35Å; R197-E553 IonicContact NH1-OE1 2.96Å
198	K	90.4	Very high	90.9	Very high	110 Å²	110	41.7 Å²	41.7	48%	0.478	19%	0.191	S	C	.	.	H	α-helix	trans	-65.2	-44.3	176.4	-69.5	174.3	-178.2	174.4	0	111.5	R194 D195 I196 K201 A202	R194-K198 WeakPolarHBondContact O-CG 3.48Å; R194-K198 PolarHBondContact O-N 2.77Å; D195-K198 WeakPolarHBondContact O-CB 3.46Å; D195-K198 PolarHBondContact O-N 3.18Å; D195-K198 VanDerWaalsContact O-N 3.08Å; I196-K198 VanDerWaalsContact C-N 3.33Å; I196-K198 PolarHBondContact O-N 3.08Å; K198-K201 PolarHBondContact O-N 3.19Å; K198-A202 WeakPolarHBondContact O-CB 3.47Å; K198-A202 PolarHBondContact O-N 2.69Å
199	L	92.7	Very high	90.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.3	-46.1	178.3	-68.2	169.4	0	0	0	111.3	F191 D195 I196 K201 A202 E203 V204 L242 V246 L251 F326	F191-L199 HydrophobicContact CD1-CD1 4.3Å; F191-L199 HydrophobicContact CD2-CD1 4.05Å; F191-L199 HydrophobicContact CE1-CD1 4.26Å; F191-L199 HydrophobicContact CE2-CD1 4.02Å; F191-L199 HydrophobicContact CG-CD1 4.2Å; F191-L199 HydrophobicContact CZ-CD1 4.12Å; D195-L199 VanDerWaalsContact O-CG 3.27Å; D195-L199 WeakPolarHBondContact O-CG 3.45Å; D195-L199 PolarHBondContact O-N 2.73Å; I196-L199 PolarHBondContact O-N 2.94Å; L199-K201 VanDerWaalsContact C-N 3.33Å; L199-K201 PolarHBondContact O-N 3.35Å; L199-A202 CarbonylContact O-C 3.6Å; L199-A202 PolarHBondContact O-N 3.15Å; L199-A202 VanDerWaalsContact O-N 3.14Å; L199-E203 PolarHBondContact O-N 3.43Å; L199-V204 HydrophobicContact CB-CB 4.16Å; L199-V204 HydrophobicContact CB-CG2 4.49Å; L199-V204 HydrophobicContact CD2-CB 4.24Å; L199-V204 HydrophobicContact CD2-CG1 4.21Å; L199-V204 HydrophobicContact CD2-CG2 3.98Å; L199-V204 WeakPolarHBondContact O-CB 3.23Å; L199-V204 PolarHBondContact O-N 3.2Å; L199-L242 HydrophobicContact CD2-CD2 4.2Å; L199-V246 HydrophobicContact CD2-CG1 3.76Å; L199-L251 HydrophobicContact CD2-CD1 4.1Å; L199-F326 HydrophobicContact CB-CE1 3.87Å; L199-F326 HydrophobicContact CB-CE2 4.47Å; L199-F326 HydrophobicContact CB-CZ 3.67Å; L199-F326 HydrophobicContact CD1-CD1 4.37Å; L199-F326 HydrophobicContact CD1-CE1 3.71Å; L199-F326 HydrophobicContact CD1-CZ 4.39Å; L199-F326 HydrophobicContact CG-CE1 4.39Å
200	K	91.6	Very high	90.9	Very high	76 Å²	76	43.6 Å²	43.6	33%	0.33	20%	0.202	S	C	.	.	H	α-helix	trans	-58.3	-43.4	173.7	-74.2	-179.5	173.7	-176.2	0	111.8	I196 A202 E203 D324 F326	I196-K200 HydrophobicContact CG2-CD 4.09Å; I196-K200 HydrophobicContact CG2-CG 4.37Å; I196-K200 WeakPolarHBondContact O-CB 3.25Å; I196-K200 WeakPolarHBondContact O-CG 3.49Å; I196-K200 PolarHBondContact O-N 3.39Å; K200-A202 VanDerWaalsContact C-N 3.29Å; K200-A202 PolarHBondContact O-N 2.01Å; K200-E203 PolarHBondContact O-N 3.02Å; K200-E203 VanDerWaalsContact O-N 3.13Å; K200-D324 WeakPolarHBondContact CE-OD2 3.45Å; K200-D324 IonicContact NZ-OD1 3.48Å; K200-D324 IonicContact NZ-OD2 3.95Å; K200-D324 PolarHBondContact NZ-OD2 3.24Å; K200-F326 HydrophobicContact CG-CD2 3.9Å; K200-F326 HydrophobicContact CG-CE2 3.86Å
201	K	91.7	Very high	90.9	Very high	188 Å²	188	43.7 Å²	43.7	82%	0.817	20%	0.202	S	C	*	.	H	α-helix	trans	-65.7	-30.7	177.2	-174.7	177.8	178.3	-177.6	0	113	R197 K198 L199 E203	R197-K201 WeakPolarHBondContact O-CB 3.39Å; R197-K201 PolarHBondContact O-N 3.35Å; K198-K201 PolarHBondContact O-N 3.19Å; L199-K201 VanDerWaalsContact C-N 3.33Å; L199-K201 PolarHBondContact O-N 3.35Å; K201-E203 PolarHBondContact O-N 2.56Å
202	A	91.6	Very high	90.8	Very high	37 Å²	37	46.9 Å²	46.9	31%	0.306	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	12.1	175.4	0	0	0	0	0	113.1	K198 L199 K200 V204 V246	K198-A202 WeakPolarHBondContact O-CB 3.47Å; K198-A202 PolarHBondContact O-N 2.69Å; L199-A202 CarbonylContact O-C 3.6Å; L199-A202 PolarHBondContact O-N 3.15Å; L199-A202 VanDerWaalsContact O-N 3.14Å; K200-A202 VanDerWaalsContact C-N 3.29Å; K200-A202 PolarHBondContact O-N 2.01Å; A202-V204 HydrophobicContact CB-CG2 4.05Å; A202-V204 PolarHBondContact O-N 3.2Å; A202-V204 VanDerWaalsContact O-N 3.12Å; A202-V246 HydrophobicContact CB-CG2 3.98Å
203	E	92.3	Very high	90.8	Very high	128 Å²	128	46.7 Å²	46.7	60%	0.598	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	31.8	-179.3	-59.8	-177.4	166	0	0	113.3	L199 K200 K201 T449 Y450	L199-E203 PolarHBondContact O-N 3.43Å; K200-E203 PolarHBondContact O-N 3.02Å; K200-E203 VanDerWaalsContact O-N 3.13Å; K201-E203 PolarHBondContact O-N 2.56Å; E203-T449 WeakPolarHBondContact O-CA 3.42Å; E203-Y450 HydrophobicContact CB-CD2 4.29Å; E203-Y450 WeakPolarHBondContact O-CD2 3.43Å; E203-Y450 PolarHBondContact O-N 3.3Å; E203-Y450 VanDerWaalsContact O-N 3.15Å
204	V	93.9	Very high	90.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-73.6	136.1	174.6	178.8	0	0	0	0	109	L199 A202 Y238 L242 P243 V246 F326 A448	L199-V204 HydrophobicContact CB-CB 4.16Å; L199-V204 HydrophobicContact CB-CG2 4.49Å; L199-V204 HydrophobicContact CD2-CB 4.24Å; L199-V204 HydrophobicContact CD2-CG1 4.21Å; L199-V204 HydrophobicContact CD2-CG2 3.98Å; L199-V204 WeakPolarHBondContact O-CB 3.23Å; L199-V204 PolarHBondContact O-N 3.2Å; A202-V204 HydrophobicContact CB-CG2 4.05Å; A202-V204 PolarHBondContact O-N 3.2Å; A202-V204 VanDerWaalsContact O-N 3.12Å; V204-Y238 WeakPolarHBondContact CG1-OH 3.4Å; V204-L242 HydrophobicContact CG1-CD2 3.6Å; V204-L242 HydrophobicContact CG2-CD2 4.49Å; V204-P243 HydrophobicContact CG2-CG 3.95Å; V204-V246 HydrophobicContact CG2-CG2 4.47Å; V204-F326 HydrophobicContact CB-CZ 4.24Å; V204-F326 HydrophobicContact CG1-CZ 4.12Å; V204-F326 WeakPolarHBondContact O-CE2 3.28Å; V204-A448 CarbonylContact C-O 3.45Å; V204-A448 VanDerWaalsContact CA-O 3.3Å; V204-A448 WeakPolarHBondContact CA-O 3.27Å; V204-A448 HydrophobicContact CG1-CB 4.49Å; V204-A448 WeakPolarHBondContact CG1-O 3.49Å
205	L	93	Very high	91.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-74	135.4	179.6	-165.9	63.4	0	0	0	110.8	M209 M213 Y238 A448 Y450 L453	L205-M209 HydrophobicContact CD1-CB 3.68Å; L205-M209 HydrophobicContact CD1-CE 3.93Å; L205-M209 HydrophobicContact CD1-CG 4.46Å; L205-M209 HydrophobicContact CD1-SD 3.95Å; L205-M209 HydrophobicContact CD2-CB 4.06Å; L205-M209 HydrophobicContact CG-CB 3.65Å; L205-M213 HydrophobicContact CD2-CE 4.3Å; L205-M213 HydrophobicContact CD2-SD 4.3Å; L205-Y238 WeakPolarHBondContact O-CE2 3.45Å; L205-Y238 PolarHBondContact O-OH 3.07Å; L205-A448 PolarHBondContact N-O 3.32Å; L205-Y450 HydrophobicContact CD1-CD1 3.9Å; L205-Y450 HydrophobicContact CD1-CE1 3.74Å; L205-Y450 HydrophobicContact CD1-CE2 4.47Å; L205-Y450 HydrophobicContact CD1-CG 4.35Å; L205-L453 HydrophobicContact CD1-CD1 3.35Å; L205-L453 HydrophobicContact CD1-CG 4.38Å; L205-L453 HydrophobicContact CD2-CD1 3.72Å; L205-L453 HydrophobicContact CD2-CG 4.02Å; L205-L453 HydrophobicContact CG-CD1 4.2Å
206	P	92.3	Very high	91.1	Very high	12 Å²	12	55.6 Å²	55.6	8%	0.078	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-52.7	151.6	168.9	-29.1	38.2	0	0	0	112.6	D208 M209 Y210 F326	P206-D208 WeakPolarHBondContact CB-OD1 3.22Å; P206-D208 PolarHBondContact O-N 3.42Å; P206-M209 HydrophobicContact CB-CB 4.34Å; P206-M209 HydrophobicContact CB-CG 4.26Å; P206-M209 HydrophobicContact CB-SD 4.47Å; P206-M209 HydrophobicContact CG-CG 4.44Å; P206-M209 HydrophobicContact CG-SD 4.01Å; P206-M209 PolarHBondContact O-N 2.83Å; P206-Y210 WeakPolarHBondContact O-CB 3.48Å; P206-Y210 PolarHBondContact O-N 2.64Å; P206-F326 CarbonylContact C-O 3.58Å; P206-F326 VanDerWaalsContact CA-O 3.28Å; P206-F326 WeakPolarHBondContact CA-O 3.44Å; P206-F326 HydrophobicContact CB-CD2 4.23Å; P206-F326 HydrophobicContact CB-CE2 4.45Å; P206-F326 HydrophobicContact CG-CD2 3.82Å; P206-F326 HydrophobicContact CG-CE2 3.91Å
207	V	91.2	Very high	91	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.9	-45.2	-174	173.2	0	0	0	0	111.9	Y210 F211 F235 Y238 F326 D327 Q329	V207-Y210 PolarHBondContact O-N 2.88Å; V207-F211 HydrophobicContact CG1-CD2 3.7Å; V207-F211 HydrophobicContact CG1-CE2 3.3Å; V207-F211 HydrophobicContact CG1-CZ 4.03Å; V207-F211 WeakPolarHBondContact O-CB 3.41Å; V207-F211 VanDerWaalsContact O-CD2 3.31Å; V207-F211 WeakPolarHBondContact O-CD2 3.46Å; V207-F211 WeakPolarHBondContact O-CG 3.43Å; V207-F211 PolarHBondContact O-N 3.02Å; V207-F235 HydrophobicContact CG2-CD2 4.4Å; V207-F235 HydrophobicContact CG2-CE2 4.05Å; V207-Y238 HydrophobicContact CG2-CD1 3.92Å; V207-Y238 HydrophobicContact CG2-CD2 4.33Å; V207-Y238 HydrophobicContact CG2-CE1 3.62Å; V207-Y238 HydrophobicContact CG2-CE2 4.04Å; V207-Y238 HydrophobicContact CG2-CG 4.26Å; V207-F326 PolarHBondContact N-O 3.37Å; V207-D327 HydrophobicContact CG2-CB 4.37Å; V207-Q329 HydrophobicContact CG1-CB 4.23Å
208	D	89.3	Confident	90.9	Very high	71 Å²	71	48.9 Å²	48.9	38%	0.38	23%	0.225	S	C	.	.	H	α-helix	trans	-61.8	-46.6	177.2	66.2	-38	0	0	0	111.7	P206 Y210 F211 E212 C328	P206-D208 WeakPolarHBondContact CB-OD1 3.22Å; P206-D208 PolarHBondContact O-N 3.42Å; D208-Y210 VanDerWaalsContact C-N 3.35Å; D208-Y210 PolarHBondContact O-N 3.29Å; D208-F211 PolarHBondContact O-N 3.44Å; D208-E212 PolarHBondContact O-N 3.02Å; D208-C328 PolarHBondContact N-O 3.26Å
209	M	91	Very high	90.8	Very high	71 Å²	71	49.5 Å²	49.5	35%	0.35	23%	0.233	S	C	.	.	H	α-helix	trans	-64.5	-39.1	177.7	-69	-171.5	75	0	0	111.9	L205 P206 F211 E212 M213 Y450 L453	L205-M209 HydrophobicContact CD1-CB 3.68Å; L205-M209 HydrophobicContact CD1-CE 3.93Å; L205-M209 HydrophobicContact CD1-CG 4.46Å; L205-M209 HydrophobicContact CD1-SD 3.95Å; L205-M209 HydrophobicContact CD2-CB 4.06Å; L205-M209 HydrophobicContact CG-CB 3.65Å; P206-M209 HydrophobicContact CB-CB 4.34Å; P206-M209 HydrophobicContact CB-CG 4.26Å; P206-M209 HydrophobicContact CB-SD 4.47Å; P206-M209 HydrophobicContact CG-CG 4.44Å; P206-M209 HydrophobicContact CG-SD 4.01Å; P206-M209 PolarHBondContact O-N 2.83Å; M209-F211 VanDerWaalsContact C-N 3.34Å; M209-E212 PolarHBondContact O-N 3.42Å; M209-M213 WeakPolarHBondContact O-CB 2.92Å; M209-M213 PolarHBondContact O-N 3.47Å; M209-Y450 HydrophobicContact CE-CE1 4.23Å; M209-Y450 HydrophobicContact SD-CE1 4.46Å; M209-L453 HydrophobicContact CE-CD1 3.79Å
210	Y	91.6	Very high	90.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-43	174.5	177.4	-99.4	0	0	0	111.8	P206 V207 D208 M213 L214 Y238 N241 L446 A448	P206-Y210 WeakPolarHBondContact O-CB 3.48Å; P206-Y210 PolarHBondContact O-N 2.64Å; V207-Y210 PolarHBondContact O-N 2.88Å; D208-Y210 VanDerWaalsContact C-N 3.35Å; D208-Y210 PolarHBondContact O-N 3.29Å; Y210-M213 HydrophobicContact CD2-CE 3.56Å; Y210-M213 HydrophobicContact CE2-CE 3.8Å; Y210-M213 WeakPolarHBondContact O-CB 3.28Å; Y210-M213 PolarHBondContact O-N 3.42Å; Y210-L214 HydrophobicContact CD1-CD1 4.12Å; Y210-L214 HydrophobicContact CD1-CG 4.4Å; Y210-L214 HydrophobicContact CE1-CD1 3.54Å; Y210-L214 HydrophobicContact CE1-CG 4Å; Y210-L214 PolarHBondContact O-N 3.27Å; Y210-Y238 AromaticContact CD1-CD2 3.64Å; Y210-Y238 HydrophobicContact CD1-CD2 3.64Å; Y210-Y238 HydrophobicContact CD1-CE2 4.44Å; Y210-Y238 HydrophobicContact CD2-CD2 4.45Å; Y210-Y238 HydrophobicContact CE1-CD2 4.18Å; Y210-Y238 AromaticContact CG-CD2 3.8Å; Y210-Y238 HydrophobicContact CG-CD2 3.8Å; Y210-Y238 HydrophobicContact CG-CE2 4.16Å; Y210-N241 PolarHBondContact OH-ND2 3.1Å; Y210-N241 VanDerWaalsContact OH-ND2 3.09Å; Y210-L446 HydrophobicContact CE2-CD2 4.16Å; Y210-L446 HydrophobicContact CE2-CG 4.4Å; Y210-A448 HydrophobicContact CD2-CB 3.54Å; Y210-A448 HydrophobicContact CE2-CB 3.75Å; Y210-A448 HydrophobicContact CG-CB 4.29Å
211	F	90.5	Very high	90.3	Very high	9 Å²	9	48.8 Å²	48.8	4%	0.039	24%	0.237	C	C	.	.	H	α-helix	trans	-71.3	-33.6	178.2	-71.5	-24.9	0	0	0	113.7	V207 D208 M209 L214 K215 W233 Q329	V207-F211 HydrophobicContact CG1-CD2 3.7Å; V207-F211 HydrophobicContact CG1-CE2 3.3Å; V207-F211 HydrophobicContact CG1-CZ 4.03Å; V207-F211 WeakPolarHBondContact O-CB 3.41Å; V207-F211 VanDerWaalsContact O-CD2 3.31Å; V207-F211 WeakPolarHBondContact O-CD2 3.46Å; V207-F211 WeakPolarHBondContact O-CG 3.43Å; V207-F211 PolarHBondContact O-N 3.02Å; D208-F211 PolarHBondContact O-N 3.44Å; M209-F211 VanDerWaalsContact C-N 3.34Å; F211-L214 HydrophobicContact CD1-CD1 4.03Å; F211-L214 HydrophobicContact CE1-CD1 4.48Å; F211-K215 WeakPolarHBondContact O-CB 3.47Å; F211-K215 PolarHBondContact O-N 3.18Å; F211-W233 AromaticContact CD1-CD1 3.48Å; F211-W233 VanDerWaalsContact CD1-CD1 3.48Å; F211-W233 HydrophobicContact CD1-CG 4.25Å; F211-W233 AromaticContact CG-CD1 3.39Å; F211-W233 HydrophobicContact CG-CG 4.47Å; F211-W233 AromaticContact CG-NE1 3.9Å; F211-W233 WeakPolarHBondContact CZ-O 3.17Å; F211-W233 PolarHBondContact O-NE1 3.03Å; F211-Q329 HydrophobicContact CD2-CB 4.48Å; F211-Q329 HydrophobicContact CD2-CG 3.79Å; F211-Q329 HydrophobicContact CE2-CB 4.29Å; F211-Q329 HydrophobicContact CE2-CG 3.7Å; F211-Q329 VanDerWaalsContact CE2-NE2 3.26Å
212	E	89.3	Confident	90.2	Very high	69 Å²	69	42.5 Å²	42.5	32%	0.322	22%	0.215	S	C	.	.	H	α-helix	trans	-69.6	-35.4	170.3	-78.6	-61	123.4	0	0	112	D208 M209 K215 R216	D208-E212 PolarHBondContact O-N 3.02Å; M209-E212 PolarHBondContact O-N 3.42Å; E212-K215 WeakPolarHBondContact O-CB 2.98Å; E212-K215 PolarHBondContact O-N 2.85Å; E212-K215 VanDerWaalsContact OE1-CD 3.31Å; E212-K215 WeakPolarHBondContact OE1-CD 3.44Å; E212-K215 IonicContact OE1-NZ 3.88Å; E212-K215 PolarHBondContact OE1-NZ 2.9Å; E212-K215 WeakPolarHBondContact OE2-CD 3.39Å; E212-K215 IonicContact OE2-NZ 2.66Å; E212-K215 PolarHBondContact OE2-NZ 3.25Å; E212-K215 VanDerWaalsContact OE2-NZ 3.09Å; E212-R216 WeakPolarHBondContact O-CG 3.38Å; E212-R216 PolarHBondContact O-N 3.13Å; E212-R216 VanDerWaalsContact O-N 3.16Å
213	M	89.7	Confident	90.1	Very high	1 Å²	1	46 Å²	46	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-49.5	171.3	-178	-175.7	64.1	0	0	111.2	L205 M209 Y210 K215 R216 F217 L446 M452 L453	L205-M213 HydrophobicContact CD2-CE 4.3Å; L205-M213 HydrophobicContact CD2-SD 4.3Å; M209-M213 WeakPolarHBondContact O-CB 2.92Å; M209-M213 PolarHBondContact O-N 3.47Å; Y210-M213 HydrophobicContact CD2-CE 3.56Å; Y210-M213 HydrophobicContact CE2-CE 3.8Å; Y210-M213 WeakPolarHBondContact O-CB 3.28Å; Y210-M213 PolarHBondContact O-N 3.42Å; M213-K215 VanDerWaalsContact C-N 3.29Å; M213-K215 PolarHBondContact O-N 3.09Å; M213-R216 WeakPolarHBondContact O-CB 3.48Å; M213-R216 PolarHBondContact O-N 3.08Å; M213-R216 VanDerWaalsContact O-N 3.12Å; M213-F217 HydrophobicContact CE-CE2 4.24Å; M213-F217 HydrophobicContact CG-CD2 3.93Å; M213-F217 HydrophobicContact CG-CE2 3.36Å; M213-F217 HydrophobicContact CG-CZ 4.03Å; M213-F217 WeakPolarHBondContact O-CD2 3.21Å; M213-F217 PolarHBondContact O-N 3.37Å; M213-F217 VanDerWaalsContact O-N 3.11Å; M213-F217 HydrophobicContact SD-CE2 3.76Å; M213-F217 HydrophobicContact SD-CZ 4.32Å; M213-L446 HydrophobicContact CE-CD2 3.99Å; M213-L446 HydrophobicContact CE-CG 4.34Å; M213-M452 HydrophobicContact CE-CB 4.39Å; M213-M452 HydrophobicContact SD-CB 3.76Å; M213-L453 HydrophobicContact CB-CD2 3.82Å; M213-L453 HydrophobicContact CG-CD2 3.76Å; M213-L453 HydrophobicContact SD-CD2 3.96Å; M213-L453 HydrophobicContact SD-CG 4.08Å
214	L	90.5	Very high	89.9	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-54.9	-44.8	175.4	-82.6	-171.5	0	0	0	112.1	Y210 F211 R216 F217 M218 L232 L446 F464	Y210-L214 HydrophobicContact CD1-CD1 4.12Å; Y210-L214 HydrophobicContact CD1-CG 4.4Å; Y210-L214 HydrophobicContact CE1-CD1 3.54Å; Y210-L214 HydrophobicContact CE1-CG 4Å; Y210-L214 PolarHBondContact O-N 3.27Å; F211-L214 HydrophobicContact CD1-CD1 4.03Å; F211-L214 HydrophobicContact CE1-CD1 4.48Å; L214-R216 VanDerWaalsContact C-N 3.3Å; L214-R216 PolarHBondContact O-N 2.88Å; L214-F217 PolarHBondContact O-N 3.44Å; L214-M218 HydrophobicContact CB-CE 3.61Å; L214-M218 WeakPolarHBondContact O-CE 3.42Å; L214-M218 PolarHBondContact O-N 3.04Å; L214-L232 HydrophobicContact CD1-CB 3.77Å; L214-L232 HydrophobicContact CD2-CD1 4.2Å; L214-L446 HydrophobicContact CD2-CD2 3.32Å; L214-L446 HydrophobicContact CG-CD2 4.33Å; L214-F464 HydrophobicContact CD2-CZ 3.83Å
215	K	90.2	Very high	89.8	Confident	93 Å²	93	48.9 Å²	48.9	40%	0.404	24%	0.244	S	C	.	.	H	α-helix	trans	-55.8	-44.3	176.8	-170.9	-177.2	177.6	-175.9	0	111.9	F211 E212 M213 M218 I219 W233	F211-K215 WeakPolarHBondContact O-CB 3.47Å; F211-K215 PolarHBondContact O-N 3.18Å; E212-K215 WeakPolarHBondContact O-CB 2.98Å; E212-K215 PolarHBondContact O-N 2.85Å; E212-K215 VanDerWaalsContact OE1-CD 3.31Å; E212-K215 WeakPolarHBondContact OE1-CD 3.44Å; E212-K215 IonicContact OE1-NZ 3.88Å; E212-K215 PolarHBondContact OE1-NZ 2.9Å; E212-K215 WeakPolarHBondContact OE2-CD 3.39Å; E212-K215 IonicContact OE2-NZ 2.66Å; E212-K215 PolarHBondContact OE2-NZ 3.25Å; E212-K215 VanDerWaalsContact OE2-NZ 3.09Å; M213-K215 VanDerWaalsContact C-N 3.29Å; M213-K215 PolarHBondContact O-N 3.09Å; K215-M218 PolarHBondContact O-N 2.83Å; K215-I219 PolarHBondContact O-N 3.09Å; K215-W233 HydrophobicContact CB-CZ2 3.88Å; K215-W233 HydrophobicContact CG-CZ2 4.35Å
216	R	90.3	Very high	89.6	Confident	149 Å²	149	53.6 Å²	53.6	56%	0.562	26%	0.262	S	S	*	.	H	α-helix	trans	-65	-41.6	178.4	-67.4	176	-173.5	-165.1	2.4	111.9	E212 M213 L214 F456	E212-R216 WeakPolarHBondContact O-CG 3.38Å; E212-R216 PolarHBondContact O-N 3.13Å; E212-R216 VanDerWaalsContact O-N 3.16Å; M213-R216 WeakPolarHBondContact O-CB 3.48Å; M213-R216 PolarHBondContact O-N 3.08Å; M213-R216 VanDerWaalsContact O-N 3.12Å; L214-R216 VanDerWaalsContact C-N 3.3Å; L214-R216 PolarHBondContact O-N 2.88Å; R216-F456 HydrophobicContact CB-CE2 3.71Å; R216-F456 HydrophobicContact CB-CZ 3.67Å
217	F	88.7	Confident	89.5	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-65.2	-39.7	176.1	-68.5	-49.2	0	0	0	112.8	M213 L214 I219 S220 L446 F456 K460 F464	M213-F217 HydrophobicContact CE-CE2 4.24Å; M213-F217 HydrophobicContact CG-CD2 3.93Å; M213-F217 HydrophobicContact CG-CE2 3.36Å; M213-F217 HydrophobicContact CG-CZ 4.03Å; M213-F217 WeakPolarHBondContact O-CD2 3.21Å; M213-F217 PolarHBondContact O-N 3.37Å; M213-F217 VanDerWaalsContact O-N 3.11Å; M213-F217 HydrophobicContact SD-CE2 3.76Å; M213-F217 HydrophobicContact SD-CZ 4.32Å; L214-F217 PolarHBondContact O-N 3.44Å; F217-I219 VanDerWaalsContact C-N 3.27Å; F217-I219 PolarHBondContact O-N 2.96Å; F217-S220 PolarHBondContact O-N 2.68Å; F217-S220 PolarHBondContact O-OG 3.25Å; F217-L446 HydrophobicContact CD2-CD2 4.44Å; F217-L446 HydrophobicContact CE2-CD1 4.37Å; F217-L446 HydrophobicContact CE2-CD2 4.43Å; F217-F456 HydrophobicContact CD1-CD2 4.26Å; F217-F456 HydrophobicContact CD1-CE1 4.29Å; F217-F456 AromaticContact CD1-CE2 3.52Å; F217-F456 HydrophobicContact CD1-CE2 3.52Å; F217-F456 AromaticContact CD1-CZ 3.53Å; F217-F456 HydrophobicContact CD1-CZ 3.53Å; F217-F456 HydrophobicContact CE1-CD1 4.36Å; F217-F456 AromaticContact CE1-CD2 3.49Å; F217-F456 HydrophobicContact CE1-CD2 3.49Å; F217-F456 VanDerWaalsContact CE1-CD2 3.49Å; F217-F456 HydrophobicContact CE1-CE1 4.14Å; F217-F456 AromaticContact CE1-CE2 3.22Å; F217-F456 HydrophobicContact CE1-CE2 3.22Å; F217-F456 HydrophobicContact CE1-CG 4.06Å; F217-F456 AromaticContact CE1-CZ 3.57Å; F217-F456 HydrophobicContact CE1-CZ 3.57Å; F217-F456 WeakPolarHBondContact CE1-O 3.5Å; F217-F456 HydrophobicContact CE2-CE2 4.34Å; F217-F456 HydrophobicContact CG-CE2 4.16Å; F217-F456 HydrophobicContact CG-CZ 4.35Å; F217-F456 AromaticContact CZ-CD2 3.73Å; F217-F456 HydrophobicContact CZ-CD2 3.73Å; F217-F456 AromaticContact CZ-CE2 3.69Å; F217-F456 HydrophobicContact CZ-CE2 3.69Å; F217-F456 HydrophobicContact CZ-CZ 4.47Å; F217-K460 HydrophobicContact CD1-CB 3.82Å; F217-K460 HydrophobicContact CD1-CD 4.49Å; F217-K460 HydrophobicContact CD1-CG 4.12Å; F217-K460 HydrophobicContact CE1-CB 3.66Å; F217-K460 HydrophobicContact CE1-CG 4.45Å; F217-F464 HydrophobicContact CB-CD1 3.86Å; F217-F464 HydrophobicContact CB-CD2 3.64Å; F217-F464 HydrophobicContact CB-CE1 3.68Å; F217-F464 HydrophobicContact CB-CE2 3.45Å; F217-F464 VanDerWaalsContact CB-CE2 3.45Å; F217-F464 HydrophobicContact CB-CG 3.84Å; F217-F464 HydrophobicContact CB-CZ 3.47Å; F217-F464 VanDerWaalsContact CB-CZ 3.47Å; F217-F464 AromaticContact CD1-CD2 4Å; F217-F464 HydrophobicContact CD1-CD2 4Å; F217-F464 HydrophobicContact CD1-CE2 4.25Å; F217-F464 AromaticContact CD2-CD2 3.77Å; F217-F464 HydrophobicContact CD2-CD2 3.77Å; F217-F464 AromaticContact CD2-CE2 3.18Å; F217-F464 HydrophobicContact CD2-CE2 3.18Å; F217-F464 AromaticContact CD2-CZ 3.8Å; F217-F464 HydrophobicContact CD2-CZ 3.8Å; F217-F464 HydrophobicContact CE2-CD2 4.36Å; F217-F464 AromaticContact CE2-CE2 3.9Å; F217-F464 HydrophobicContact CE2-CE2 3.9Å; F217-F464 AromaticContact CG-CD2 3.55Å; F217-F464 HydrophobicContact CG-CD2 3.55Å; F217-F464 AromaticContact CG-CE2 3.39Å; F217-F464 HydrophobicContact CG-CE2 3.39Å; F217-F464 HydrophobicContact CG-CG 4.2Å; F217-F464 AromaticContact CG-CZ 3.93Å; F217-F464 HydrophobicContact CG-CZ 3.93Å
218	M	87.7	Confident	89.4	Confident	12 Å²	12	61.8 Å²	61.8	6%	0.059	29%	0.291	C	S	.	.	H	α-helix	trans	-64.8	-25.5	-177.8	-85.7	-179.8	-92.8	0	0	114.6	L214 K215 S220 V221 R226 L229 W233	L214-M218 HydrophobicContact CB-CE 3.61Å; L214-M218 WeakPolarHBondContact O-CE 3.42Å; L214-M218 PolarHBondContact O-N 3.04Å; K215-M218 PolarHBondContact O-N 2.83Å; M218-S220 PolarHBondContact O-N 3.36Å; M218-V221 PolarHBondContact O-N 3.35Å; M218-V221 VanDerWaalsContact O-N 3.1Å; M218-R226 PolarHBondContact O-NE 2.82Å; M218-L229 HydrophobicContact CG-CB 4.14Å; M218-L229 HydrophobicContact CG-CD1 3.97Å; M218-L229 HydrophobicContact SD-CB 3.71Å; M218-W233 HydrophobicContact CE-CD2 4.14Å; M218-W233 HydrophobicContact CE-CE3 3.73Å; M218-W233 HydrophobicContact CE-CH2 2.96Å; M218-W233 HydrophobicContact CE-CZ2 3.38Å; M218-W233 HydrophobicContact CE-CZ3 3.15Å; M218-W233 HydrophobicContact SD-CE3 4.14Å; M218-W233 HydrophobicContact SD-CH2 3.36Å; M218-W233 WeakPolarHBondContact SD-CH2 3.32Å; M218-W233 HydrophobicContact SD-CZ2 4.36Å; M218-W233 HydrophobicContact SD-CZ3 3.21Å; M218-W233 WeakPolarHBondContact SD-CZ3 3.49Å
219	I	87.9	Confident	89.3	Confident	124 Å²	124	58.4 Å²	58.4	64%	0.636	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-33.5	176.8	-66.5	167.7	0	0	0	111.3	K215 F217 R226	K215-I219 PolarHBondContact O-N 3.09Å; F217-I219 VanDerWaalsContact C-N 3.27Å; F217-I219 PolarHBondContact O-N 2.96Å; I219-R226 PolarHBondContact O-NH2 2.91Å
220	S	85.1	Confident	89.2	Confident	55 Å²	55	58.6 Å²	58.6	39%	0.385	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-7.9	178.9	40.4	0	0	0	0	115.5	F217 M218 K460	F217-S220 PolarHBondContact O-N 2.68Å; F217-S220 PolarHBondContact O-OG 3.25Å; M218-S220 PolarHBondContact O-N 3.36Å; S220-K460 VanDerWaalsContact CB-CE 3.49Å; S220-K460 WeakPolarHBondContact OG-CE 3.31Å; S220-K460 PolarHBondContact OG-NZ 3.16Å
221	V	88.9	Confident	88.9	Confident	5 Å²	5	61.1 Å²	61.1	3%	0.03	29%	0.291	C	S	.	.	S	Bend	trans	-81	140.1	-179.1	178.1	0	0	0	0	110	M218 Y225 R226 L229 F464 V469	M218-V221 PolarHBondContact O-N 3.35Å; M218-V221 VanDerWaalsContact O-N 3.1Å; V221-Y225 HydrophobicContact CG1-CD2 4.33Å; V221-R226 HydrophobicContact CB-CG 4.42Å; V221-R226 HydrophobicContact CG1-CG 4.49Å; V221-R226 PolarHBondContact O-NE 2.83Å; V221-R226 PolarHBondContact O-NH2 3.27Å; V221-L229 HydrophobicContact CB-CD1 4.05Å; V221-L229 HydrophobicContact CG1-CD1 3.67Å; V221-L229 HydrophobicContact CG2-CD1 3.84Å; V221-F464 HydrophobicContact CG2-CD1 3.97Å; V221-V469 HydrophobicContact CG1-CG1 3.69Å; V221-V469 HydrophobicContact CG2-CG2 4.3Å
222	P	89.5	Confident	88.8	Confident	57 Å²	57	60.7 Å²	60.7	37%	0.37	29%	0.289	S	S	.	.			trans	-52.1	141.6	171.3	-28.9	36.2	0	0	0	112.9	E224 Y225 R226	P222-E224 HydrophobicContact CB-CG 3.99Å; P222-E224 PolarHBondContact O-N 3.07Å; P222-E224 VanDerWaalsContact O-N 3.13Å; P222-Y225 HydrophobicContact CB-CD2 3.99Å; P222-Y225 HydrophobicContact CB-CE2 4.26Å; P222-Y225 HydrophobicContact CG-CD2 4.19Å; P222-Y225 HydrophobicContact CG-CE2 4.32Å; P222-Y225 PolarHBondContact O-N 3.16Å; P222-Y225 VanDerWaalsContact O-N 3.08Å; P222-R226 PolarHBondContact O-N 3.16Å
223	V	89.1	Confident	88.7	Confident	111 Å²	111	58.9 Å²	58.9	67%	0.673	28%	0.279	S	S	*	.	H	α-helix	trans	-56.9	-33.9	-173	179.9	0	0	0	0	112.4	Y225 R226	V223-Y225 VanDerWaalsContact C-N 3.29Å; V223-Y225 PolarHBondContact O-N 3.08Å; V223-R226 PolarHBondContact O-N 3.37Å
224	E	89.2	Confident	88.5	Confident	125 Å²	125	60.7 Å²	60.7	58%	0.584	29%	0.289	S	S	*	.	H	α-helix	trans	-56.6	-36.3	177.9	61.7	-171.5	-162.1	0	0	113.8	P222	P222-E224 HydrophobicContact CB-CG 3.99Å; P222-E224 PolarHBondContact O-N 3.07Å; P222-E224 VanDerWaalsContact O-N 3.13Å
225	Y	90.3	Very high	88.3	Confident	63 Å²	63	61.3 Å²	61.3	25%	0.247	29%	0.292	C	S	.	.	H	α-helix	trans	-91	-19.8	-179.6	-55.5	-59.2	0	0	0	113.4	V221 P222 V223 R227 Y228 L229 V469 A473	V221-Y225 HydrophobicContact CG1-CD2 4.33Å; P222-Y225 HydrophobicContact CB-CD2 3.99Å; P222-Y225 HydrophobicContact CB-CE2 4.26Å; P222-Y225 HydrophobicContact CG-CD2 4.19Å; P222-Y225 HydrophobicContact CG-CE2 4.32Å; P222-Y225 PolarHBondContact O-N 3.16Å; P222-Y225 VanDerWaalsContact O-N 3.08Å; V223-Y225 VanDerWaalsContact C-N 3.29Å; V223-Y225 PolarHBondContact O-N 3.08Å; Y225-R227 PolarHBondContact O-N 3.47Å; Y225-Y228 PolarHBondContact O-N 2.87Å; Y225-Y228 VanDerWaalsContact O-N 3.13Å; Y225-L229 PolarHBondContact O-N 2.92Å; Y225-V469 HydrophobicContact CD2-CG1 3.8Å; Y225-V469 HydrophobicContact CG-CG1 3.74Å; Y225-A473 HydrophobicContact CD1-CB 3.41Å; Y225-A473 VanDerWaalsContact CD1-CB 3.41Å; Y225-A473 HydrophobicContact CE1-CB 4.1Å; Y225-A473 HydrophobicContact CG-CB 4.26Å
226	R	89.2	Confident	88.1	Confident	98 Å²	98	57.4 Å²	57.4	37%	0.37	28%	0.276	S	S	.	.	H	α-helix	trans	-57.4	-35.3	-175.2	-70.6	-176.1	-170.4	170.2	2.2	112.6	M218 I219 V221 P222 V223 Y228 L229 T230	M218-R226 PolarHBondContact O-NE 2.82Å; I219-R226 PolarHBondContact O-NH2 2.91Å; V221-R226 HydrophobicContact CB-CG 4.42Å; V221-R226 HydrophobicContact CG1-CG 4.49Å; V221-R226 PolarHBondContact O-NE 2.83Å; V221-R226 PolarHBondContact O-NH2 3.27Å; P222-R226 PolarHBondContact O-N 3.16Å; V223-R226 PolarHBondContact O-N 3.37Å; R226-Y228 PolarHBondContact O-N 2.83Å; R226-L229 PolarHBondContact O-N 2.93Å; R226-T230 WeakPolarHBondContact O-CG2 3.27Å; R226-T230 PolarHBondContact O-N 2.9Å
227	R	89.6	Confident	87.9	Confident	158 Å²	158	50.4 Å²	50.4	60%	0.596	25%	0.25	S	C	*	.	H	α-helix	trans	-54.9	-51.3	177	178.1	179.8	172.5	158.3	0.4	111.2	Y225 L229 T230 E480	Y225-R227 PolarHBondContact O-N 3.47Å; R227-L229 VanDerWaalsContact C-N 3.35Å; R227-L229 PolarHBondContact O-N 3.39Å; R227-T230 WeakPolarHBondContact O-CB 3.49Å; R227-T230 WeakPolarHBondContact O-CG2 3.36Å; R227-T230 PolarHBondContact O-N 2.75Å; R227-T230 PolarHBondContact O-OG1 2.9Å; R227-E480 IonicContact CZ-OE1 3.56Å; R227-E480 IonicContact NE-OE1 3.11Å; R227-E480 PolarHBondContact NE-OE1 3.05Å; R227-E480 IonicContact NH2-OE1 2.73Å; R227-E480 PolarHBondContact NH2-OE1 2.9Å
228	Y	88.8	Confident	87.9	Confident	27 Å²	27	50.4 Å²	50.4	11%	0.106	25%	0.25	C	C	.	.	H	α-helix	trans	-71.8	-31.4	-176.9	-55.2	-60.6	0	0	0	112.5	Y225 R226 T230 M231 Y472 A473 E477 E480	Y225-Y228 PolarHBondContact O-N 2.87Å; Y225-Y228 VanDerWaalsContact O-N 3.13Å; R226-Y228 PolarHBondContact O-N 2.83Å; Y228-T230 PolarHBondContact O-N 2.94Å; Y228-M231 WeakPolarHBondContact O-CB 3.2Å; Y228-M231 PolarHBondContact O-N 3.4Å; Y228-Y472 WeakPolarHBondContact O-CE1 3.4Å; Y228-Y472 PolarHBondContact O-OH 3.3Å; Y228-A473 HydrophobicContact CD2-CB 3.97Å; Y228-E477 HydrophobicContact CD1-CB 4.01Å; Y228-E477 HydrophobicContact CD2-CB 4.36Å; Y228-E477 HydrophobicContact CE1-CB 3.57Å; Y228-E477 HydrophobicContact CE1-CG 3.88Å; Y228-E477 HydrophobicContact CE2-CB 3.93Å; Y228-E477 HydrophobicContact CE2-CG 4.21Å; Y228-E477 HydrophobicContact CG-CB 4.39Å; Y228-E477 VanDerWaalsContact OH-CG 3.25Å; Y228-E477 WeakPolarHBondContact OH-CG 3.21Å; Y228-E477 PolarHBondContact OH-OE1 3.11Å; Y228-E480 WeakPolarHBondContact CD1-OE2 3.49Å; Y228-E480 WeakPolarHBondContact CE1-OE2 3.43Å
229	L	89	Confident	88	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.8	-17.4	175.1	-66.7	175	0	0	0	113	M218 V221 Y225 R226 R227 M231 L232 F444 V469 Y472	M218-L229 HydrophobicContact CG-CB 4.14Å; M218-L229 HydrophobicContact CG-CD1 3.97Å; M218-L229 HydrophobicContact SD-CB 3.71Å; V221-L229 HydrophobicContact CB-CD1 4.05Å; V221-L229 HydrophobicContact CG1-CD1 3.67Å; V221-L229 HydrophobicContact CG2-CD1 3.84Å; Y225-L229 PolarHBondContact O-N 2.92Å; R226-L229 PolarHBondContact O-N 2.93Å; R227-L229 VanDerWaalsContact C-N 3.35Å; R227-L229 PolarHBondContact O-N 3.39Å; L229-M231 PolarHBondContact O-N 2.66Å; L229-L232 HydrophobicContact CB-CD1 4.38Å; L229-L232 HydrophobicContact CD2-CD1 3.63Å; L229-L232 HydrophobicContact CD2-CG 4.41Å; L229-L232 VanDerWaalsContact O-CB 3.28Å; L229-L232 WeakPolarHBondContact O-CB 2.91Å; L229-L232 WeakPolarHBondContact O-CG 3.38Å; L229-L232 PolarHBondContact O-N 3.33Å; L229-F444 HydrophobicContact CD2-CE2 4.36Å; L229-V469 HydrophobicContact CD1-CG1 4.36Å; L229-Y472 HydrophobicContact CD2-CD1 3.54Å; L229-Y472 HydrophobicContact CD2-CE1 3.65Å; L229-Y472 HydrophobicContact CD2-CG 4.37Å; L229-Y472 HydrophobicContact CG-CD1 4.46Å; L229-Y472 HydrophobicContact CG-CE1 4.38Å
230	T	87.6	Confident	88	Confident	75 Å²	75	47.3 Å²	47.3	46%	0.46	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-60.1	-26.3	174.2	64.9	0	0	0	0	113	R226 R227 Y228 L232 W233	R226-T230 WeakPolarHBondContact O-CG2 3.27Å; R226-T230 PolarHBondContact O-N 2.9Å; R227-T230 WeakPolarHBondContact O-CB 3.49Å; R227-T230 WeakPolarHBondContact O-CG2 3.36Å; R227-T230 PolarHBondContact O-N 2.75Å; R227-T230 PolarHBondContact O-OG1 2.9Å; Y228-T230 PolarHBondContact O-N 2.94Å; T230-L232 PolarHBondContact O-N 2.82Å; T230-W233 HydrophobicContact CG2-CZ3 4.49Å; T230-W233 PolarHBondContact O-N 3.02Å
231	M	86.3	Confident	88.1	Confident	52 Å²	52	45 Å²	45	26%	0.256	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-66.4	-16.3	175.7	-59.4	-176.2	-177.3	0	0	113.3	Y228 L229 W233 D234 Q442 A476 E480	Y228-M231 WeakPolarHBondContact O-CB 3.2Å; Y228-M231 PolarHBondContact O-N 3.4Å; L229-M231 PolarHBondContact O-N 2.66Å; M231-W233 PolarHBondContact O-N 3.11Å; M231-D234 PolarHBondContact O-N 2.82Å; M231-Q442 HydrophobicContact CB-CG 4.31Å; M231-Q442 HydrophobicContact SD-CG 4.22Å; M231-A476 HydrophobicContact SD-CB 4.29Å; M231-E480 HydrophobicContact CE-CB 3.91Å; M231-E480 HydrophobicContact CE-CG 3.98Å; M231-E480 VanDerWaalsContact CE-OE2 3.29Å; M231-E480 WeakPolarHBondContact CE-OE2 3.47Å
232	L	88.3	Confident	88.2	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-69.9	-15.1	175.9	-62.8	178.8	0	0	0	113.6	L214 L229 T230 D234 T237 F444 Y472	L214-L232 HydrophobicContact CD1-CB 3.77Å; L214-L232 HydrophobicContact CD2-CD1 4.2Å; L229-L232 HydrophobicContact CB-CD1 4.38Å; L229-L232 HydrophobicContact CD2-CD1 3.63Å; L229-L232 HydrophobicContact CD2-CG 4.41Å; L229-L232 VanDerWaalsContact O-CB 3.28Å; L229-L232 WeakPolarHBondContact O-CB 2.91Å; L229-L232 WeakPolarHBondContact O-CG 3.38Å; L229-L232 PolarHBondContact O-N 3.33Å; T230-L232 PolarHBondContact O-N 2.82Å; L232-D234 PolarHBondContact O-N 3.48Å; L232-T237 HydrophobicContact CB-CG2 4.5Å; L232-T237 HydrophobicContact CD2-CG2 3.73Å; L232-F444 HydrophobicContact CD1-CD1 4.28Å; L232-F444 HydrophobicContact CD1-CG 4.25Å; L232-F444 HydrophobicContact CD2-CB 3.75Å; L232-F444 HydrophobicContact CD2-CG 4.28Å; L232-Y472 HydrophobicContact CD2-CD2 4.32Å; L232-Y472 HydrophobicContact CD2-CE2 3.43Å; L232-Y472 VanDerWaalsContact CD2-CE2 3.43Å; L232-Y472 WeakPolarHBondContact CD2-OH 3.41Å; L232-Y472 HydrophobicContact CG-CE1 4.46Å; L232-Y472 HydrophobicContact CG-CE2 4.23Å
233	W	86.7	Confident	88	Confident	31 Å²	31	43.9 Å²	43.9	12%	0.117	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-80.4	10	175.4	-86.6	-76.4	0	0	0	114	F211 K215 M218 T230 M231 Q329 R331	F211-W233 AromaticContact CD1-CD1 3.48Å; F211-W233 VanDerWaalsContact CD1-CD1 3.48Å; F211-W233 HydrophobicContact CD1-CG 4.25Å; F211-W233 AromaticContact CG-CD1 3.39Å; F211-W233 HydrophobicContact CG-CG 4.47Å; F211-W233 AromaticContact CG-NE1 3.9Å; F211-W233 WeakPolarHBondContact CZ-O 3.17Å; F211-W233 PolarHBondContact O-NE1 3.03Å; K215-W233 HydrophobicContact CB-CZ2 3.88Å; K215-W233 HydrophobicContact CG-CZ2 4.35Å; M218-W233 HydrophobicContact CE-CD2 4.14Å; M218-W233 HydrophobicContact CE-CE3 3.73Å; M218-W233 HydrophobicContact CE-CH2 2.96Å; M218-W233 HydrophobicContact CE-CZ2 3.38Å; M218-W233 HydrophobicContact CE-CZ3 3.15Å; M218-W233 HydrophobicContact SD-CE3 4.14Å; M218-W233 HydrophobicContact SD-CH2 3.36Å; M218-W233 WeakPolarHBondContact SD-CH2 3.32Å; M218-W233 HydrophobicContact SD-CZ2 4.36Å; M218-W233 HydrophobicContact SD-CZ3 3.21Å; M218-W233 WeakPolarHBondContact SD-CZ3 3.49Å; T230-W233 HydrophobicContact CG2-CZ3 4.49Å; T230-W233 PolarHBondContact O-N 3.02Å; M231-W233 PolarHBondContact O-N 3.11Å; W233-Q329 PolarHBondContact O-NE2 2.92Å; W233-R331 VanDerWaalsContact CE3-NH1 3.25Å
234	D	85.6	Confident	87.8	Confident	40 Å²	40	47 Å²	47	21%	0.214	23%	0.23	C	C	.	.	S	Bend	trans	-81.5	140.8	172.9	-168.5	20.9	0	0	0	111.1	M231 L232 S236 T237 Y238	M231-D234 PolarHBondContact O-N 2.82Å; L232-D234 PolarHBondContact O-N 3.48Å; D234-S236 PolarHBondContact O-N 3.32Å; D234-S236 WeakPolarHBondContact OD2-CB 3.3Å; D234-S236 PolarHBondContact OD2-OG 3.35Å; D234-T237 WeakPolarHBondContact O-CB 3.41Å; D234-T237 PolarHBondContact O-N 2.98Å; D234-Y238 PolarHBondContact O-N 2.85Å; D234-Y238 VanDerWaalsContact O-N 3.13Å
235	F	86.6	Confident	87.5	Confident	12 Å²	12	48.9 Å²	48.9	5%	0.053	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-33.1	178.8	-178.5	-107.3	0	0	0	111.3	P190 F191 V207 T237 Y238 L239 H292	P190-F235 HydrophobicContact CB-CE1 3.63Å; P190-F235 HydrophobicContact CB-CE2 4.46Å; P190-F235 HydrophobicContact CB-CZ 3.53Å; P190-F235 HydrophobicContact CG-CE1 4.07Å; P190-F235 HydrophobicContact CG-CE2 4.03Å; P190-F235 HydrophobicContact CG-CZ 3.56Å; F191-F235 HydrophobicContact CE1-CZ 4.08Å; F191-F235 AromaticContact CE2-CE2 3.96Å; F191-F235 HydrophobicContact CE2-CE2 3.96Å; F191-F235 AromaticContact CE2-CZ 3.82Å; F191-F235 HydrophobicContact CE2-CZ 3.82Å; F191-F235 AromaticContact CZ-CE2 3.97Å; F191-F235 HydrophobicContact CZ-CE2 3.97Å; F191-F235 AromaticContact CZ-CZ 3.5Å; F191-F235 HydrophobicContact CZ-CZ 3.5Å; F191-F235 VanDerWaalsContact CZ-CZ 3.5Å; V207-F235 HydrophobicContact CG2-CD2 4.4Å; V207-F235 HydrophobicContact CG2-CE2 4.05Å; F235-T237 VanDerWaalsContact C-N 3.27Å; F235-T237 PolarHBondContact O-N 3.14Å; F235-Y238 HydrophobicContact CD2-CD1 4.16Å; F235-Y238 AromaticContact CE2-CD1 3.84Å; F235-Y238 HydrophobicContact CE2-CD1 3.84Å; F235-Y238 HydrophobicContact CE2-CE1 4.32Å; F235-Y238 WeakPolarHBondContact O-CB 3.34Å; F235-Y238 PolarHBondContact O-N 2.6Å; F235-L239 HydrophobicContact CD1-CD1 3.97Å; F235-L239 HydrophobicContact CD1-CG 4.26Å; F235-L239 HydrophobicContact CE1-CD1 3.58Å; F235-L239 HydrophobicContact CE1-CD2 4.11Å; F235-L239 HydrophobicContact CE1-CG 3.84Å; F235-L239 HydrophobicContact CZ-CD1 4.26Å; F235-L239 HydrophobicContact CZ-CD2 3.94Å; F235-L239 HydrophobicContact CZ-CG 4.06Å; F235-L239 PolarHBondContact O-N 2.86Å; F235-H292 HydrophobicContact CE1-CB 4.13Å
236	S	85.2	Confident	87.4	Confident	11 Å²	11	47.1 Å²	47.1	8%	0.077	24%	0.239	C	C	.	.	H	α-helix	trans	-57.2	-44.2	172.4	79.4	0	0	0	0	111	D234 Y238 L239 A240 Q425	D234-S236 PolarHBondContact O-N 3.32Å; D234-S236 WeakPolarHBondContact OD2-CB 3.3Å; D234-S236 PolarHBondContact OD2-OG 3.35Å; S236-Y238 PolarHBondContact O-N 3.46Å; S236-L239 WeakPolarHBondContact O-CB 3.29Å; S236-L239 PolarHBondContact O-N 3.24Å; S236-A240 PolarHBondContact O-N 3.27Å; S236-Q425 VanDerWaalsContact C-CD 3.45Å; S236-Q425 PolarHBondContact O-NE2 2.66Å; S236-Q425 VanDerWaalsContact OG-CD 3.24Å; S236-Q425 VanDerWaalsContact OG-CG 3.31Å; S236-Q425 WeakPolarHBondContact OG-CG 3.33Å
237	T	86.4	Confident	87.3	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.012	24%	0.241	C	C	.	.	H	α-helix	trans	-66.6	-36.3	178.3	-58	0	0	0	0	112.5	L232 D234 F235 L239 A240 N241 Q425	L232-T237 HydrophobicContact CB-CG2 4.5Å; L232-T237 HydrophobicContact CD2-CG2 3.73Å; D234-T237 WeakPolarHBondContact O-CB 3.41Å; D234-T237 PolarHBondContact O-N 2.98Å; F235-T237 VanDerWaalsContact C-N 3.27Å; F235-T237 PolarHBondContact O-N 3.14Å; T237-L239 PolarHBondContact O-N 3.24Å; T237-A240 PolarHBondContact O-N 3.44Å; T237-N241 WeakPolarHBondContact CG2-ND2 3.46Å; T237-N241 WeakPolarHBondContact O-CB 3.39Å; T237-N241 PolarHBondContact O-N 3.28Å; T237-N241 PolarHBondContact O-ND2 2.98Å; T237-Q425 PolarHBondContact OG1-OE1 3.04Å; T237-Q425 VanDerWaalsContact OG1-OE1 3.1Å
238	Y	89.4	Confident	87.1	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-56.5	-48.8	169.7	171.5	-98.2	0	0	0	111.4	F191 V204 L205 V207 Y210 D234 F235 S236 A240 N241 L242 A448	F191-Y238 HydrophobicContact CE2-CE1 4.06Å; F191-Y238 AromaticContact CZ-CE1 4Å; F191-Y238 HydrophobicContact CZ-CE1 4Å; V204-Y238 WeakPolarHBondContact CG1-OH 3.4Å; L205-Y238 WeakPolarHBondContact O-CE2 3.45Å; L205-Y238 PolarHBondContact O-OH 3.07Å; V207-Y238 HydrophobicContact CG2-CD1 3.92Å; V207-Y238 HydrophobicContact CG2-CD2 4.33Å; V207-Y238 HydrophobicContact CG2-CE1 3.62Å; V207-Y238 HydrophobicContact CG2-CE2 4.04Å; V207-Y238 HydrophobicContact CG2-CG 4.26Å; Y210-Y238 AromaticContact CD1-CD2 3.64Å; Y210-Y238 HydrophobicContact CD1-CD2 3.64Å; Y210-Y238 HydrophobicContact CD1-CE2 4.44Å; Y210-Y238 HydrophobicContact CD2-CD2 4.45Å; Y210-Y238 HydrophobicContact CE1-CD2 4.18Å; Y210-Y238 AromaticContact CG-CD2 3.8Å; Y210-Y238 HydrophobicContact CG-CD2 3.8Å; Y210-Y238 HydrophobicContact CG-CE2 4.16Å; D234-Y238 PolarHBondContact O-N 2.85Å; D234-Y238 VanDerWaalsContact O-N 3.13Å; F235-Y238 HydrophobicContact CD2-CD1 4.16Å; F235-Y238 AromaticContact CE2-CD1 3.84Å; F235-Y238 HydrophobicContact CE2-CD1 3.84Å; F235-Y238 HydrophobicContact CE2-CE1 4.32Å; F235-Y238 WeakPolarHBondContact O-CB 3.34Å; F235-Y238 PolarHBondContact O-N 2.6Å; S236-Y238 PolarHBondContact O-N 3.46Å; Y238-A240 VanDerWaalsContact C-N 3.32Å; Y238-A240 PolarHBondContact O-N 2.9Å; Y238-N241 CarbonylContact O-C 3.56Å; Y238-N241 PolarHBondContact O-N 2.88Å; Y238-L242 HydrophobicContact CE1-CD2 4.07Å; Y238-L242 PolarHBondContact O-N 3.09Å; Y238-A448 HydrophobicContact CD2-CB 4.23Å; Y238-A448 HydrophobicContact CE2-CB 3.87Å
239	L	89.4	Confident	87	Confident	17 Å²	17	42.5 Å²	42.5	9%	0.089	24%	0.239	C	C	.	.	H	α-helix	trans	-60.9	-37.7	178.5	-67.9	174.4	0	0	0	113.3	F191 F235 S236 T237 N241 L242 A248 L251 H292	F191-L239 HydrophobicContact CE1-CD2 3.76Å; F191-L239 HydrophobicContact CZ-CD2 3.64Å; F235-L239 HydrophobicContact CD1-CD1 3.97Å; F235-L239 HydrophobicContact CD1-CG 4.26Å; F235-L239 HydrophobicContact CE1-CD1 3.58Å; F235-L239 HydrophobicContact CE1-CD2 4.11Å; F235-L239 HydrophobicContact CE1-CG 3.84Å; F235-L239 HydrophobicContact CZ-CD1 4.26Å; F235-L239 HydrophobicContact CZ-CD2 3.94Å; F235-L239 HydrophobicContact CZ-CG 4.06Å; F235-L239 PolarHBondContact O-N 2.86Å; S236-L239 WeakPolarHBondContact O-CB 3.29Å; S236-L239 PolarHBondContact O-N 3.24Å; T237-L239 PolarHBondContact O-N 3.24Å; L239-N241 PolarHBondContact O-N 3.21Å; L239-L242 HydrophobicContact CD2-CD1 3.98Å; L239-L242 WeakPolarHBondContact O-CG 3.28Å; L239-L242 PolarHBondContact O-N 2.72Å; L239-A248 HydrophobicContact CB-CB 4.28Å; L239-L251 HydrophobicContact CD2-CD1 4.48Å; L239-H292 WeakPolarHBondContact CD1-ND1 3.23Å
240	A	86.8	Confident	86.9	Confident	55 Å²	55	48 Å²	48	46%	0.455	27%	0.268	S	S	.	.	H	α-helix	trans	-72.7	-10.5	177.5	0	0	0	0	0	114.1	S236 T237 Y238 Q425	S236-A240 PolarHBondContact O-N 3.27Å; T237-A240 PolarHBondContact O-N 3.44Å; Y238-A240 VanDerWaalsContact C-N 3.32Å; Y238-A240 PolarHBondContact O-N 2.9Å; A240-Q425 VanDerWaalsContact CB-NE2 3.26Å
241	N	88.2	Confident	87.1	Confident	7 Å²	7	44.8 Å²	44.8	4%	0.037	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	10	-179.9	-78.6	-50	0	0	0	112.3	Y210 T237 Y238 L239 K445 L446 P447 A448	Y210-N241 PolarHBondContact OH-ND2 3.1Å; Y210-N241 VanDerWaalsContact OH-ND2 3.09Å; T237-N241 WeakPolarHBondContact CG2-ND2 3.46Å; T237-N241 WeakPolarHBondContact O-CB 3.39Å; T237-N241 PolarHBondContact O-N 3.28Å; T237-N241 PolarHBondContact O-ND2 2.98Å; Y238-N241 CarbonylContact O-C 3.56Å; Y238-N241 PolarHBondContact O-N 2.88Å; L239-N241 PolarHBondContact O-N 3.21Å; N241-K445 WeakPolarHBondContact OD1-CA 3.34Å; N241-K445 PolarHBondContact OD1-N 3.46Å; N241-L446 VanDerWaalsContact CB-O 3.23Å; N241-L446 WeakPolarHBondContact CB-O 3.4Å; N241-L446 PolarHBondContact OD1-N 2.87Å; N241-P447 WeakPolarHBondContact O-CA 3.41Å; N241-A448 PolarHBondContact O-N 3.31Å
242	L	89.9	Confident	87.4	Confident	15 Å²	15	42.4 Å²	42.4	8%	0.079	24%	0.236	C	C	.	.	S	Bend	trans	-63.6	151.2	169.4	-68	175.9	0	0	0	110.5	L199 V204 Y238 L239 V246 A248 L251	L199-L242 HydrophobicContact CD2-CD2 4.2Å; V204-L242 HydrophobicContact CG1-CD2 3.6Å; V204-L242 HydrophobicContact CG2-CD2 4.49Å; Y238-L242 HydrophobicContact CE1-CD2 4.07Å; Y238-L242 PolarHBondContact O-N 3.09Å; L239-L242 HydrophobicContact CD2-CD1 3.98Å; L239-L242 WeakPolarHBondContact O-CG 3.28Å; L239-L242 PolarHBondContact O-N 2.72Å; L242-V246 HydrophobicContact CB-CB 4.49Å; L242-V246 HydrophobicContact CD1-CG1 4.17Å; L242-A248 HydrophobicContact CD1-CB 4.2Å; L242-L251 HydrophobicContact CD1-CD1 3.46Å; L242-L251 VanDerWaalsContact CD1-CD1 3.46Å
243	P	86.7	Confident	87.6	Confident	22 Å²	22	42.6 Å²	42.6	14%	0.143	24%	0.237	C	C	.	.			trans	-57.5	146.9	175.2	-23.4	34.6	0	0	0	111.7	V204 L245 V246 T449	V204-P243 HydrophobicContact CG2-CG 3.95Å; P243-L245 PolarHBondContact O-N 3.2Å; P243-V246 PolarHBondContact O-N 3.08Å; P243-T449 HydrophobicContact CG-CG2 3.53Å
244	D	83.6	Confident	87.9	Confident	176 Å²	176	42.7 Å²	42.7	94%	0.941	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.3	-178	-63.6	-34.1	0	0	0	113.9	V246	D244-V246 PolarHBondContact O-N 2.77Å
245	L	84.5	Confident	88.3	Confident	166 Å²	166	42.8 Å²	42.8	87%	0.869	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.3	175	-66	165.1	0	0	0	113.3	P243	P243-L245 PolarHBondContact O-N 3.2Å
246	V	87	Confident	88.4	Confident	25 Å²	25	47.5 Å²	47.5	15%	0.152	26%	0.264	C	S	.	.	S	Bend	trans	-114.1	103.7	-175.7	-176.7	0	0	0	0	109.3	L199 A202 V204 L242 P243 D244 A248 L251	L199-V246 HydrophobicContact CD2-CG1 3.76Å; A202-V246 HydrophobicContact CB-CG2 3.98Å; V204-V246 HydrophobicContact CG2-CG2 4.47Å; L242-V246 HydrophobicContact CB-CB 4.49Å; L242-V246 HydrophobicContact CD1-CG1 4.17Å; P243-V246 PolarHBondContact O-N 3.08Å; D244-V246 PolarHBondContact O-N 2.77Å; V246-A248 PolarHBondContact O-N 2.86Å; V246-L251 HydrophobicContact CG1-CD1 3.88Å; V246-L251 HydrophobicContact CG1-CD2 4.09Å; V246-L251 HydrophobicContact CG1-CG 4.29Å
247	D	88.2	Confident	88.4	Confident	77 Å²	77	48.1 Å²	48.1	41%	0.412	27%	0.266	S	S	.	.			trans	-74.6	109.1	173.8	-178	4	0	0	0	110.8	N249 N250	D247-N249 PolarHBondContact O-N 3.04Å; D247-N249 VanDerWaalsContact O-N 3.13Å; D247-N249 WeakPolarHBondContact OD1-CB 3.49Å; D247-N249 PolarHBondContact OD1-N 2.88Å; D247-N249 PolarHBondContact OD1-ND2 3.35Å; D247-N250 HydrophobicContact CB-CB 4.47Å; D247-N250 PolarHBondContact O-N 3.14Å; D247-N250 PolarHBondContact OD2-ND2 2.96Å
248	A	85.9	Confident	88.8	Confident	21 Å²	21	48 Å²	48	17%	0.174	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-56	-26.4	177.5	0	0	0	0	0	113.6	L239 L242 V246 N250 L251 H292	L239-A248 HydrophobicContact CB-CB 4.28Å; L242-A248 HydrophobicContact CD1-CB 4.2Å; V246-A248 PolarHBondContact O-N 2.86Å; A248-N250 VanDerWaalsContact C-N 3.28Å; A248-N250 PolarHBondContact O-N 2.85Å; A248-L251 PolarHBondContact O-N 3.42Å; A248-H292 PolarHBondContact O-CE1 2.83Å; A248-H292 PolarHBondContact O-NE2 2.02Å
249	N	85.4	Confident	89	Confident	89 Å²	89	49 Å²	49	48%	0.476	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-72.7	-22.4	179.7	-63.9	-54.1	0	0	0	113.7	D247 K285 Q287	D247-N249 PolarHBondContact O-N 3.04Å; D247-N249 VanDerWaalsContact O-N 3.13Å; D247-N249 WeakPolarHBondContact OD1-CB 3.49Å; D247-N249 PolarHBondContact OD1-N 2.88Å; D247-N249 PolarHBondContact OD1-ND2 3.35Å; N249-K285 PolarHBondContact O-NZ 3.05Å; N249-Q287 PolarHBondContact OD1-NE2 3.16Å
250	N	87.5	Confident	89.1	Confident	115 Å²	115	50.3 Å²	50.3	62%	0.615	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-93.8	0.1	179.6	-66.9	-30.7	0	0	0	112.9	D247 A248	D247-N250 HydrophobicContact CB-CB 4.47Å; D247-N250 PolarHBondContact O-N 3.14Å; D247-N250 PolarHBondContact OD2-ND2 2.96Å; A248-N250 VanDerWaalsContact C-N 3.28Å; A248-N250 PolarHBondContact O-N 2.85Å
251	L	91.8	Very high	89.3	Confident	8 Å²	8	50.7 Å²	50.7	4%	0.042	27%	0.267	C	S	.	.			trans	-87.4	159.4	175	-60.6	-179.9	0	0	0	111.5	F191 D195 L199 L239 L242 V246 A248 H292 N293	F191-L251 HydrophobicContact CD1-CB 4.12Å; F191-L251 HydrophobicContact CD1-CD1 4.48Å; F191-L251 HydrophobicContact CE1-CB 3.99Å; F191-L251 HydrophobicContact CE1-CD1 3.8Å; F191-L251 HydrophobicContact CZ-CD1 4.48Å; D195-L251 HydrophobicContact CB-CD2 4.04Å; L199-L251 HydrophobicContact CD2-CD1 4.1Å; L239-L251 HydrophobicContact CD2-CD1 4.48Å; L242-L251 HydrophobicContact CD1-CD1 3.46Å; L242-L251 VanDerWaalsContact CD1-CD1 3.46Å; V246-L251 HydrophobicContact CG1-CD1 3.88Å; V246-L251 HydrophobicContact CG1-CD2 4.09Å; V246-L251 HydrophobicContact CG1-CG 4.29Å; A248-L251 PolarHBondContact O-N 3.42Å; L251-H292 PolarHBondContact O-CD2 2.83Å; L251-H292 VanDerWaalsContact O-CD2 3.31Å; L251-H292 PolarHBondContact O-NE2 3.39Å; L251-H292 VanDerWaalsContact O-NE2 3.12Å; L251-N293 PolarHBondContact O-ND2 2.8Å
252	G	92	Very high	89.7	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.01	27%	0.268	C	S	.	.	S	Bend	trans	92.1	167.6	174	0	0	0	0	0	113.7	P190 D195 T254	P190-G252 WeakPolarHBondContact O-CA 3.49Å; D195-G252 WeakPolarHBondContact OD2-CA 3.39Å; D195-G252 PolarHBondContact OD2-N 3.2Å; G252-T254 PolarHBondContact O-N 3.01Å
253	H	92.8	Very high	90	Very high	4 Å²	4	54 Å²	54	2%	0.019	28%	0.281	C	S	.	.			trans	-61.3	134	-176.4	-60	-82.8	0	0	0	111.4	N187 R189 F191 S192 I258 N293 Y295 D317	N187-H253 PolarHBondContact ND2-CD2 3.04Å; N187-H253 PolarHBondContact ND2-CE1 2.75Å; N187-H253 VanDerWaalsContact ND2-CE1 3.27Å; N187-H253 PolarHBondContact ND2-NE2 2.82Å; R189-H253 PolarHBondContact O-CD2 3.31Å; R189-H253 PolarHBondContact O-NE2 3.12Å; F191-H253 PolarHBondContact O-NE2 3.15Å; S192-H253 VanDerWaalsContact CA-CE1 3.44Å; S192-H253 WeakPolarHBondContact CA-CE1 3.39Å; H253-I258 HydrophobicContact CB-CD1 3.7Å; H253-I258 HydrophobicContact CB-CG1 3.6Å; H253-N293 WeakPolarHBondContact O-CB 3.47Å; H253-N293 PolarHBondContact O-ND2 2.83Å; H253-Y295 WeakPolarHBondContact O-CE2 3Å; H253-Y295 PolarHBondContact O-OH 2.9Å; H253-D317 IonicContact CE1-OD2 3.52Å
254	T	93.3	Very high	90.4	Very high	34 Å²	34	52.9 Å²	52.9	21%	0.209	27%	0.274	C	S	.	.			trans	-84.8	162.2	171.4	72.7	0	0	0	0	111	G252 E256 D257 I258 Y295 R550	G252-T254 PolarHBondContact O-N 3.01Å; T254-E256 PolarHBondContact O-N 3.39Å; T254-D257 WeakPolarHBondContact CA-OD2 3.33Å; T254-D257 VanDerWaalsContact CB-OD2 3.28Å; T254-D257 WeakPolarHBondContact CB-OD2 3.35Å; T254-D257 WeakPolarHBondContact CG2-OD2 3.44Å; T254-D257 PolarHBondContact N-OD2 3.33Å; T254-D257 WeakPolarHBondContact O-CB 3.4Å; T254-D257 PolarHBondContact O-N 2.87Å; T254-D257 PolarHBondContact OG1-OD1 3.14Å; T254-D257 PolarHBondContact OG1-OD2 3.33Å; T254-I258 PolarHBondContact O-N 3.41Å; T254-I258 VanDerWaalsContact O-N 3.14Å; T254-Y295 VanDerWaalsContact CA-OH 3.28Å; T254-Y295 WeakPolarHBondContact CA-OH 3.32Å; T254-R550 PolarHBondContact OG1-NH2 3.01Å; T254-R550 VanDerWaalsContact OG1-NH2 3.13Å
255	L	93.4	Very high	91	Very high	41 Å²	41	46.7 Å²	46.7	22%	0.215	24%	0.241	C	C	.	.	H	α-helix	trans	-54.9	-41.3	178.6	177.1	65	0	0	0	111.7	D257 I258 V259 W283 Y295	L255-D257 VanDerWaalsContact C-N 3.27Å; L255-D257 PolarHBondContact O-N 3.04Å; L255-I258 PolarHBondContact O-N 3.03Å; L255-V259 HydrophobicContact CD1-CB 4.18Å; L255-V259 HydrophobicContact CD1-CG2 3.82Å; L255-V259 PolarHBondContact O-N 2.93Å; L255-W283 HydrophobicContact CD1-CD2 3.66Å; L255-W283 HydrophobicContact CD1-CE3 3.68Å; L255-W283 HydrophobicContact CD1-CG 4.15Å; L255-W283 HydrophobicContact CD1-CH2 4.29Å; L255-W283 HydrophobicContact CD1-CZ2 4.29Å; L255-W283 HydrophobicContact CD1-CZ3 3.99Å; L255-W283 HydrophobicContact CD2-CB 3.77Å; L255-W283 HydrophobicContact CD2-CD2 3.96Å; L255-W283 HydrophobicContact CD2-CG 3.53Å; L255-W283 HydrophobicContact CG-CD2 4.48Å; L255-Y295 HydrophobicContact CB-CD1 3.8Å; L255-Y295 HydrophobicContact CB-CD2 4.45Å; L255-Y295 HydrophobicContact CB-CE1 3.68Å; L255-Y295 HydrophobicContact CB-CE2 4.34Å; L255-Y295 HydrophobicContact CB-CG 4.2Å; L255-Y295 HydrophobicContact CD1-CD1 3.99Å; L255-Y295 HydrophobicContact CD1-CD2 4.38Å; L255-Y295 HydrophobicContact CD1-CG 3.81Å; L255-Y295 HydrophobicContact CG-CD1 4.37Å; L255-Y295 PolarHBondContact N-OH 2.84Å
256	E	88.1	Confident	91.4	Very high	112 Å²	112	39.2 Å²	39.2	52%	0.523	20%	0.201	S	C	.	.	H	α-helix	trans	-69.7	-25.8	-179.9	-62.9	171.2	165.2	0	0	112.1	T254 K260 R550	T254-E256 PolarHBondContact O-N 3.39Å; E256-K260 PolarHBondContact O-NZ 2.89Å; E256-R550 IonicContact OE2-CZ 3.81Å; E256-R550 IonicContact OE2-NH1 3.97Å; E256-R550 PolarHBondContact OE2-NH1 3.19Å; E256-R550 IonicContact OE2-NH2 2.65Å
257	D	86.9	Confident	91.5	Very high	23 Å²	23	42.7 Å²	42.7	12%	0.123	21%	0.214	C	C	.	.	H	α-helix	trans	-73.8	-41	175.2	-55.4	-32.3	0	0	0	110.4	T254 L255 K260 R550	T254-D257 WeakPolarHBondContact CA-OD2 3.33Å; T254-D257 VanDerWaalsContact CB-OD2 3.28Å; T254-D257 WeakPolarHBondContact CB-OD2 3.35Å; T254-D257 WeakPolarHBondContact CG2-OD2 3.44Å; T254-D257 PolarHBondContact N-OD2 3.33Å; T254-D257 WeakPolarHBondContact O-CB 3.4Å; T254-D257 PolarHBondContact O-N 2.87Å; T254-D257 PolarHBondContact OG1-OD1 3.14Å; T254-D257 PolarHBondContact OG1-OD2 3.33Å; L255-D257 VanDerWaalsContact C-N 3.27Å; L255-D257 PolarHBondContact O-N 3.04Å; D257-K260 WeakPolarHBondContact O-CE 3.49Å; D257-K260 PolarHBondContact O-NZ 3.16Å; D257-R550 IonicContact OD1-NE 2.76Å; D257-R550 IonicContact OD1-NH2 3.12Å
258	I	93.1	Very high	91.4	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-82.1	-59.8	-176.8	-58.2	179.5	0	0	0	111.7	L185 N187 H253 T254 L255 K260 Y295 V314 Y315	L185-I258 HydrophobicContact CD2-CG2 3.57Å; L185-I258 HydrophobicContact CG-CG2 4.27Å; N187-I258 HydrophobicContact CB-CD1 4.33Å; H253-I258 HydrophobicContact CB-CD1 3.7Å; H253-I258 HydrophobicContact CB-CG1 3.6Å; T254-I258 PolarHBondContact O-N 3.41Å; T254-I258 VanDerWaalsContact O-N 3.14Å; L255-I258 PolarHBondContact O-N 3.03Å; I258-K260 PolarHBondContact O-N 3.32Å; I258-Y295 HydrophobicContact CD1-CD2 4.01Å; I258-Y295 HydrophobicContact CD1-CE2 4.09Å; I258-V314 HydrophobicContact CG2-CG1 3.53Å; I258-V314 CarbonylContact O-C 3.57Å; I258-V314 VanDerWaalsContact O-CA 3.25Å; I258-V314 WeakPolarHBondContact O-CA 3.18Å; I258-Y315 PolarHBondContact O-N 2.83Å
259	V	94.2	Very high	91.2	Very high	21 Å²	21	44.6 Å²	44.6	13%	0.127	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	104.1	-168.7	-178.8	0	0	0	0	109.8	L185 L255 C262 W283 L312	L185-V259 HydrophobicContact CD2-CG2 3.82Å; L255-V259 HydrophobicContact CD1-CB 4.18Å; L255-V259 HydrophobicContact CD1-CG2 3.82Å; L255-V259 PolarHBondContact O-N 2.93Å; V259-C262 HydrophobicContact CG1-CB 3.89Å; V259-W283 HydrophobicContact CG1-CH2 4.5Å; V259-W283 HydrophobicContact CG1-CZ2 4.21Å; V259-W283 HydrophobicContact CG2-CH2 3.92Å; V259-W283 HydrophobicContact CG2-CZ2 4.31Å; V259-W283 HydrophobicContact CG2-CZ3 4.49Å; V259-L312 HydrophobicContact CG1-CD2 3.79Å
260	K	91.1	Very high	91.1	Very high	43 Å²	43	46.6 Å²	46.6	19%	0.187	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	-30.4	-179.6	-57.7	-59.2	178.1	-166.2	0	113.4	E256 D257 I258 V313 Y315 F524 M528 I554 F590	E256-K260 PolarHBondContact O-NZ 2.89Å; D257-K260 WeakPolarHBondContact O-CE 3.49Å; D257-K260 PolarHBondContact O-NZ 3.16Å; I258-K260 PolarHBondContact O-N 3.32Å; K260-V313 PolarHBondContact N-O 3.34Å; K260-Y315 VanDerWaalsContact CE-CB 3.45Å; K260-F524 HydrophobicContact CB-CE2 3.79Å; K260-F524 HydrophobicContact CB-CZ 3.57Å; K260-F524 HydrophobicContact CD-CZ 4.47Å; K260-F524 HydrophobicContact CG-CZ 3.86Å; K260-M528 HydrophobicContact CD-SD 4.42Å; K260-I554 HydrophobicContact CD-CD1 4.35Å; K260-F590 HydrophobicContact CG-CE1 4.47Å
261	R	92.2	Very high	91.1	Very high	64 Å²	64	45 Å²	45	24%	0.242	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	137.1	176.5	-169.3	-177.6	-74.6	158.2	-0.9	109.6	F263 L312 V313 E527	R261-F263 HydrophobicContact CG-CD2 3.65Å; R261-F263 HydrophobicContact CG-CE2 3.42Å; R261-F263 VanDerWaalsContact CG-CE2 3.42Å; R261-L312 CarbonylContact O-C 3.51Å; R261-L312 VanDerWaalsContact O-CA 3.3Å; R261-L312 WeakPolarHBondContact O-CA 3.1Å; R261-V313 HydrophobicContact CB-CB 3.88Å; R261-V313 HydrophobicContact CB-CG2 4.04Å; R261-V313 PolarHBondContact N-O 3.37Å; R261-V313 PolarHBondContact O-N 3.5Å; R261-E527 IonicContact CZ-OE2 3.32Å; R261-E527 IonicContact NH2-OE2 3.09Å; R261-E527 PolarHBondContact NH2-OE2 3.34Å
262	C	96	Very high	91	Very high	9 Å²	9	48.5 Å²	48.5	6%	0.061	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	120.1	176.7	-170.9	0	0	0	0	110.8	V259 C277 M310 E311 L312	V259-C262 HydrophobicContact CG1-CB 3.89Å; C262-C277 HydrophobicContact CB-CB 3.57Å; C262-C277 WeakPolarHBondContact CB-SG 3.38Å; C262-C277 PolarHBondContact O-N 2.94Å; C262-C277 VanDerWaalsContact O-N 3.09Å; C262-C277 PolarHBondContact O-SG 3.17Å; C262-C277 VanDerWaalsContact O-SG 3.39Å; C262-C277 WeakPolarHBondContact SG-CB 3.39Å; C262-C277 CovalentContact SG-SG 2.02Å; C262-C277 PolarHBondContact SG-SG 2.85Å; C262-M310 WeakPolarHBondContact SG-CE 3.47Å; C262-E311 CarbonylContact C-O 3.53Å; C262-E311 VanDerWaalsContact CA-O 3.32Å; C262-E311 WeakPolarHBondContact CA-O 3.06Å; C262-L312 HydrophobicContact CB-CD2 3.76Å; C262-L312 WeakPolarHBondContact SG-CD2 3.27Å
263	F	95.4	Very high	90.9	Very high	81 Å²	81	56 Å²	56	36%	0.355	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	150.6	175.7	-70.8	-82.1	0	0	0	111.3	R261 T275 A276 M310 E311	R261-F263 HydrophobicContact CG-CD2 3.65Å; R261-F263 HydrophobicContact CG-CE2 3.42Å; R261-F263 VanDerWaalsContact CG-CE2 3.42Å; F263-T275 WeakPolarHBondContact CA-O 3.44Å; F263-A276 HydrophobicContact CD1-CB 4.14Å; F263-A276 HydrophobicContact CE1-CB 3.84Å; F263-M310 CarbonylContact O-C 3.53Å; F263-M310 WeakPolarHBondContact O-CA 3.37Å; F263-E311 PolarHBondContact N-O 3.4Å; F263-E311 PolarHBondContact O-N 3.31Å
264	I	96.1	Very high	90.9	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.5	174.2	-62.8	173.3	0	0	0	108.6	Y266 G274 T275 Y297 I299 A307 N309 M310	I264-Y266 HydrophobicContact CB-CE2 3.76Å; I264-Y266 HydrophobicContact CG2-CD1 4.39Å; I264-Y266 HydrophobicContact CG2-CD2 4.11Å; I264-Y266 HydrophobicContact CG2-CE1 3.83Å; I264-Y266 HydrophobicContact CG2-CE2 3.5Å; I264-Y266 WeakPolarHBondContact CG2-OH 3.46Å; I264-G274 CarbonylContact O-C 3.59Å; I264-G274 WeakPolarHBondContact O-CA 3.48Å; I264-T275 PolarHBondContact N-O 3.17Å; I264-T275 PolarHBondContact O-N 2.9Å; I264-Y297 HydrophobicContact CD1-CD1 4.13Å; I264-Y297 HydrophobicContact CD1-CE1 3.23Å; I264-I299 HydrophobicContact CD1-CD1 3.79Å; I264-I299 HydrophobicContact CD1-CG1 3.74Å; I264-I299 HydrophobicContact CG2-CD1 4.22Å; I264-A307 HydrophobicContact CG2-CB 4.08Å; I264-N309 VanDerWaalsContact CA-O 3.32Å; I264-N309 WeakPolarHBondContact CA-O 3.43Å; I264-N309 WeakPolarHBondContact CG2-O 3.32Å; I264-M310 HydrophobicContact CD1-CG 4.43Å; I264-M310 HydrophobicContact CG1-CB 4.11Å; I264-M310 HydrophobicContact CG1-CG 3.94Å
265	L	95.1	Very high	90.9	Very high	46 Å²	46	58.1 Å²	58.1	24%	0.241	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	126.4	171.8	-52.7	178.1	0	0	0	109.6	R273 L308 N309	L265-R273 WeakPolarHBondContact CA-O 3.32Å; L265-L308 PolarHBondContact O-N 3.12Å; L265-N309 WeakPolarHBondContact CB-OD1 2.98Å; L265-N309 WeakPolarHBondContact CD1-ND2 3.06Å; L265-N309 WeakPolarHBondContact CD1-OD1 3.4Å; L265-N309 WeakPolarHBondContact CG-OD1 3.45Å; L265-N309 PolarHBondContact N-O 3.38Å; L265-N309 PolarHBondContact N-OD1 3.12Å
266	Y	93.7	Very high	90.9	Very high	9 Å²	9	57.3 Å²	57.3	4%	0.035	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	140.3	174.5	-62.9	-84.9	0	0	0	110.6	I264 T272 R273 S280 I299 K303 T306 A307	I264-Y266 HydrophobicContact CB-CE2 3.76Å; I264-Y266 HydrophobicContact CG2-CD1 4.39Å; I264-Y266 HydrophobicContact CG2-CD2 4.11Å; I264-Y266 HydrophobicContact CG2-CE1 3.83Å; I264-Y266 HydrophobicContact CG2-CE2 3.5Å; I264-Y266 WeakPolarHBondContact CG2-OH 3.46Å; Y266-T272 WeakPolarHBondContact O-CA 3.31Å; Y266-R273 PolarHBondContact N-O 3.25Å; Y266-R273 PolarHBondContact O-N 2.87Å; Y266-S280 WeakPolarHBondContact OH-CB 3.42Å; Y266-S280 PolarHBondContact OH-OG 3.39Å; Y266-S280 VanDerWaalsContact OH-OG 3.11Å; Y266-I299 HydrophobicContact CE1-CG2 4.24Å; Y266-K303 HydrophobicContact CD1-CB 4.09Å; Y266-K303 HydrophobicContact CE1-CB 3.58Å; Y266-K303 HydrophobicContact CE1-CD 4.3Å; Y266-K303 WeakPolarHBondContact CE1-O 3.4Å; Y266-T306 WeakPolarHBondContact CA-O 3.39Å; Y266-A307 HydrophobicContact CD1-CB 4.05Å; Y266-A307 HydrophobicContact CE1-CB 3.84Å
267	K	89.3	Confident	91.2	Very high	98 Å²	98	52 Å²	52	43%	0.426	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	119.2	169.1	-167	174.2	178.7	-179.6	0	109.9	G269 T306 L308 F600	K267-G269 VanDerWaalsContact CE-O 3.24Å; K267-G269 WeakPolarHBondContact CE-O 3.41Å; K267-G269 WeakPolarHBondContact CG-O 3.37Å; K267-T306 PolarHBondContact N-O 3.46Å; K267-T306 WeakPolarHBondContact O-CB 3.3Å; K267-L308 HydrophobicContact CB-CD1 3.85Å; K267-L308 HydrophobicContact CB-CD2 4.13Å; K267-L308 HydrophobicContact CB-CG 3.94Å; K267-L308 HydrophobicContact CD-CD2 4.42Å; K267-L308 HydrophobicContact CG-CD1 4.47Å; K267-F600 HydrophobicContact CD-CE2 4.02Å; K267-F600 HydrophobicContact CD-CZ 4.43Å
268	T	85.2	Confident	91.4	Very high	78 Å²	78	56 Å²	56	48%	0.479	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	93	171.7	-45.6	0	0	0	0	108.4	S270 V271	T268-S270 PolarHBondContact O-N 3.35Å; T268-V271 PolarHBondContact N-O 3.22Å; T268-V271 PolarHBondContact O-N 3.11Å
269	G	83	Confident	91.3	Very high	60 Å²	60	63.9 Å²	63.9	62%	0.619	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	-120.7	-168.8	0	0	0	0	0	111.1	K267	K267-G269 VanDerWaalsContact CE-O 3.24Å; K267-G269 WeakPolarHBondContact CE-O 3.41Å; K267-G269 WeakPolarHBondContact CG-O 3.37Å
270	S	82	Confident	91.1	Very high	131 Å²	131	62.9 Å²	62.9	92%	0.916	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-5	177.5	-49.5	0	0	0	0	113.7	T268	T268-S270 PolarHBondContact O-N 3.35Å
271	V	88.4	Confident	91.3	Very high	81 Å²	81	61.4 Å²	61.4	49%	0.491	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	137.5	-175.9	-176.6	0	0	0	0	110.1	T268 R273	T268-V271 PolarHBondContact N-O 3.22Å; T268-V271 PolarHBondContact O-N 3.11Å; V271-R273 HydrophobicContact CG1-CG 4.25Å
272	T	89.1	Confident	91.5	Very high	82 Å²	82	63.2 Å²	63.2	50%	0.503	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	133.9	168.7	55.1	0	0	0	0	109.8	Y266 L308	Y266-T272 WeakPolarHBondContact O-CA 3.31Å; T272-L308 HydrophobicContact CG2-CD1 3.58Å
273	R	91.5	Very high	91.4	Very high	158 Å²	158	65.4 Å²	65.4	60%	0.596	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	122.8	176.8	-72.8	-172.2	175.3	138.5	-2.8	110.5	L265 Y266 V271	L265-R273 WeakPolarHBondContact CA-O 3.32Å; Y266-R273 PolarHBondContact N-O 3.25Å; Y266-R273 PolarHBondContact O-N 2.87Å; V271-R273 HydrophobicContact CG1-CG 4.25Å
274	G	92.4	Very high	91.4	Very high	48 Å²	48	62.8 Å²	62.8	50%	0.495	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	131.3	172	0	0	0	0	0	111.9	I264	I264-G274 CarbonylContact O-C 3.59Å; I264-G274 WeakPolarHBondContact O-CA 3.48Å
275	T	93.8	Very high	91.4	Very high	35 Å²	35	66.8 Å²	66.8	22%	0.215	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135	173	-52.9	0	0	0	0	108.8	F263 I264 K279	F263-T275 WeakPolarHBondContact CA-O 3.44Å; I264-T275 PolarHBondContact N-O 3.17Å; I264-T275 PolarHBondContact O-N 2.9Å; T275-K279 HydrophobicContact CG2-CB 3.89Å
276	A	93.2	Very high	91.3	Very high	23 Å²	23	65 Å²	65	19%	0.19	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	141.2	174.3	0	0	0	0	0	110.4	F263 E278 K279	F263-A276 HydrophobicContact CD1-CB 4.14Å; F263-A276 HydrophobicContact CE1-CB 3.84Å; A276-E278 WeakPolarHBondContact CB-OE2 3.48Å; A276-E278 PolarHBondContact O-N 2.91Å; A276-E278 VanDerWaalsContact O-N 3.16Å; A276-K279 PolarHBondContact O-N 3Å
277	C	94.4	Very high	91.1	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-59.5	-31.2	-172	-67.2	0	0	0	0	113.5	C262 K279 S280 G281 Y297	C262-C277 HydrophobicContact CB-CB 3.57Å; C262-C277 WeakPolarHBondContact CB-SG 3.38Å; C262-C277 PolarHBondContact O-N 2.94Å; C262-C277 VanDerWaalsContact O-N 3.09Å; C262-C277 PolarHBondContact O-SG 3.17Å; C262-C277 VanDerWaalsContact O-SG 3.39Å; C262-C277 WeakPolarHBondContact SG-CB 3.39Å; C262-C277 CovalentContact SG-SG 2.02Å; C262-C277 PolarHBondContact SG-SG 2.85Å; C277-K279 PolarHBondContact O-N 2.93Å; C277-K279 VanDerWaalsContact O-N 3.17Å; C277-S280 PolarHBondContact O-N 3.32Å; C277-G281 PolarHBondContact O-N 2.86Å; C277-Y297 WeakPolarHBondContact CA-OH 3.49Å; C277-Y297 HydrophobicContact CB-CD2 4.33Å; C277-Y297 HydrophobicContact CB-CE2 3.6Å; C277-Y297 WeakPolarHBondContact O-CE2 3.26Å; C277-Y297 PolarHBondContact O-OH 3.36Å
278	E	89.7	Confident	91.2	Very high	107 Å²	107	64.8 Å²	64.8	50%	0.5	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-63.5	-19.9	177.6	-54.7	96.5	147.3	0	0	113.2	A276 R535	A276-E278 WeakPolarHBondContact CB-OE2 3.48Å; A276-E278 PolarHBondContact O-N 2.91Å; A276-E278 VanDerWaalsContact O-N 3.16Å; E278-R535 IonicContact OE1-CZ 3.11Å; E278-R535 IonicContact OE1-NH1 2.76Å; E278-R535 IonicContact OE1-NH2 3.86Å; E278-R535 PolarHBondContact OE1-NH2 2.97Å
279	K	90.7	Very high	91.3	Very high	167 Å²	167	65.8 Å²	65.8	73%	0.726	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-100.2	-8.9	-178.9	-63.2	-175.1	-179.1	-178.7	0	113.9	T275 A276 C277	T275-K279 HydrophobicContact CG2-CB 3.89Å; A276-K279 PolarHBondContact O-N 3Å; C277-K279 PolarHBondContact O-N 2.93Å; C277-K279 VanDerWaalsContact O-N 3.17Å
280	S	91.8	Very high	91.4	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-2.7	-170.4	62.4	0	0	0	0	115.8	Y266 C277 Y297 N300	Y266-S280 WeakPolarHBondContact OH-CB 3.42Å; Y266-S280 PolarHBondContact OH-OG 3.39Å; Y266-S280 VanDerWaalsContact OH-OG 3.11Å; C277-S280 PolarHBondContact O-N 3.32Å; S280-Y297 PolarHBondContact OG-OH 2.85Å; S280-N300 PolarHBondContact O-N 2.89Å
281	G	94.5	Very high	91.8	Very high	13 Å²	13	58.5 Å²	58.5	13%	0.134	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	-165.6	-176.1	0	0	0	0	0	110.6	C277 Y297 T298	C277-G281 PolarHBondContact O-N 2.86Å; G281-Y297 WeakPolarHBondContact CA-OH 3.4Å; G281-Y297 PolarHBondContact N-OH 2.81Å; G281-Y297 VanDerWaalsContact N-OH 3.12Å; G281-T298 CarbonylContact C-O 3.55Å; G281-T298 WeakPolarHBondContact CA-O 3.4Å
282	Y	95.3	Very high	91.9	Very high	102 Å²	102	55 Å²	55	40%	0.4	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.8	-179.1	59.1	-88.7	0	0	0	111	T298	Y282-T298 HydrophobicContact CE1-CG2 4.1Å; Y282-T298 PolarHBondContact N-O 2.01Å; Y282-T298 PolarHBondContact O-N 2.9Å
283	W	95.5	Very high	92.2	Very high	55 Å²	55	51.4 Å²	51.4	21%	0.208	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	138.1	174.9	-69	95.5	0	0	0	110.1	L255 V259 T296 Y297 M310 L312	L255-W283 HydrophobicContact CD1-CD2 3.66Å; L255-W283 HydrophobicContact CD1-CE3 3.68Å; L255-W283 HydrophobicContact CD1-CG 4.15Å; L255-W283 HydrophobicContact CD1-CH2 4.29Å; L255-W283 HydrophobicContact CD1-CZ2 4.29Å; L255-W283 HydrophobicContact CD1-CZ3 3.99Å; L255-W283 HydrophobicContact CD2-CB 3.77Å; L255-W283 HydrophobicContact CD2-CD2 3.96Å; L255-W283 HydrophobicContact CD2-CG 3.53Å; L255-W283 HydrophobicContact CG-CD2 4.48Å; V259-W283 HydrophobicContact CG1-CH2 4.5Å; V259-W283 HydrophobicContact CG1-CZ2 4.21Å; V259-W283 HydrophobicContact CG2-CH2 3.92Å; V259-W283 HydrophobicContact CG2-CZ2 4.31Å; V259-W283 HydrophobicContact CG2-CZ3 4.49Å; W283-T296 CarbonylContact C-O 3.47Å; W283-T296 VanDerWaalsContact CA-O 3.31Å; W283-T296 WeakPolarHBondContact CA-O 3.42Å; W283-Y297 AromaticContact CD1-CD2 3.86Å; W283-Y297 AromaticContact CD2-CD2 3.7Å; W283-Y297 HydrophobicContact CD2-CD2 3.7Å; W283-Y297 HydrophobicContact CD2-CG 4.31Å; W283-Y297 AromaticContact CE2-CD2 3.4Å; W283-Y297 HydrophobicContact CE3-CD2 4.33Å; W283-Y297 HydrophobicContact CG-CD2 4.01Å; W283-Y297 HydrophobicContact CH2-CD2 4.44Å; W283-Y297 HydrophobicContact CH2-CG 4.35Å; W283-Y297 AromaticContact CZ2-CD2 3.81Å; W283-Y297 HydrophobicContact CZ2-CD2 3.81Å; W283-Y297 HydrophobicContact CZ2-CG 4.1Å; W283-Y297 AromaticContact NE1-CD2 3.49Å; W283-Y297 AromaticContact NE1-CE2 3.89Å; W283-M310 HydrophobicContact CH2-CE 4.37Å; W283-M310 HydrophobicContact CZ2-CE 4.5Å; W283-L312 HydrophobicContact CH2-CD2 4.35Å
284	T	95.2	Very high	92.4	Very high	25 Å²	25	43.9 Å²	43.9	15%	0.153	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.1	176	-60.5	0	0	0	0	109.1	T296 V398 Y400	T284-T296 PolarHBondContact N-O 3.19Å; T284-T296 PolarHBondContact O-N 3.22Å; T284-V398 HydrophobicContact CG2-CG1 3.61Å; T284-V398 HydrophobicContact CG2-CG2 4.49Å; T284-Y400 HydrophobicContact CG2-CE1 4.39Å
285	K	94.6	Very high	92.6	Very high	84 Å²	84	42.6 Å²	42.6	37%	0.365	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	132	173.4	-176.5	-176	178.1	-178.9	0	109.3	N249 N293 C294 Y295	N249-K285 PolarHBondContact O-NZ 3.05Å; K285-N293 WeakPolarHBondContact CE-OD1 3.37Å; K285-N293 PolarHBondContact NZ-ND2 2.66Å; K285-N293 PolarHBondContact NZ-OD1 2.89Å; K285-N293 VanDerWaalsContact NZ-OD1 3.15Å; K285-C294 WeakPolarHBondContact CA-O 3.39Å; K285-Y295 HydrophobicContact CB-CD1 4.31Å; K285-Y295 HydrophobicContact CB-CE1 3.94Å; K285-Y295 HydrophobicContact CG-CE1 4Å
286	T	93.4	Very high	92.8	Very high	10 Å²	10	41.1 Å²	41.1	6%	0.061	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.8	172.5	45.9	0	0	0	0	109.3	C294 P351 Y400	T286-C294 PolarHBondContact N-O 3.2Å; T286-C294 PolarHBondContact O-N 2.94Å; T286-C294 WeakPolarHBondContact OG1-CB 3.35Å; T286-C294 PolarHBondContact OG1-O 2.98Å; T286-P351 HydrophobicContact CG2-CG 3.75Å; T286-Y400 HydrophobicContact CG2-CE1 4.04Å; T286-Y400 VanDerWaalsContact CG2-OH 3.27Å; T286-Y400 WeakPolarHBondContact CG2-OH 3.14Å
287	Q	90.9	Very high	93	Very high	77 Å²	77	40.1 Å²	40.1	36%	0.36	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	104.4	175.5	-77	173.8	-42	0	0	110	N249 H292	N249-Q287 PolarHBondContact OD1-NE2 3.16Å; Q287-H292 CarbonylContact C-O 3.59Å; Q287-H292 WeakPolarHBondContact CA-O 3.48Å
288	D	90.8	Very high	93.1	Very high	24 Å²	24	40.7 Å²	40.7	13%	0.128	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	146.8	175.4	-176.6	-89.7	0	0	0	111.1	V290 F291 H292 C294	D288-V290 VanDerWaalsContact C-N 3.3Å; D288-V290 PolarHBondContact O-N 3.26Å; D288-V290 WeakPolarHBondContact OD1-CA 3.49Å; D288-V290 PolarHBondContact OD1-N 2.76Å; D288-F291 HydrophobicContact CB-CB 4.39Å; D288-F291 WeakPolarHBondContact OD1-CD2 3.48Å; D288-F291 PolarHBondContact OD1-N 3.35Å; D288-H292 PolarHBondContact N-O 3.46Å; D288-H292 VanDerWaalsContact O-CA 3.25Å; D288-H292 WeakPolarHBondContact O-CA 3.37Å; D288-H292 PolarHBondContact O-N 3.43Å; D288-C294 VanDerWaalsContact CB-SG 3.58Å
289	R	86.1	Confident	93.4	Very high	99 Å²	99	35.9 Å²	35.9	37%	0.374	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-26.6	-176.9	66.9	-173.9	174.9	84	0.4	113.9	E355	R289-E355 IonicContact CZ-OE1 3.71Å; R289-E355 IonicContact NE-OE1 3.82Å; R289-E355 PolarHBondContact NE-OE1 3.03Å; R289-E355 IonicContact NH2-OE1 3.34Å; R289-E355 PolarHBondContact NH2-OE1 2.83Å
290	V	86.3	Confident	93.6	Very high	32 Å²	32	31 Å²	31	19%	0.194	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-48.2	-179.1	-175.1	0	0	0	0	110.8	D288 V332 A354	D288-V290 VanDerWaalsContact C-N 3.3Å; D288-V290 PolarHBondContact O-N 3.26Å; D288-V290 WeakPolarHBondContact OD1-CA 3.49Å; D288-V290 PolarHBondContact OD1-N 2.76Å; V290-V332 HydrophobicContact CG1-CG1 4.15Å; V290-A354 HydrophobicContact CG2-CB 4.15Å
291	F	89.8	Confident	93.5	Very high	6 Å²	6	35.8 Å²	35.8	3%	0.026	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-1.1	-171.1	-55.1	-66.2	0	0	0	114.2	C186 L188 D288 N293 A334 V353 A354	C186-F291 HydrophobicContact CB-CB 3.79Å; C186-F291 HydrophobicContact CB-CG 4.2Å; L188-F291 HydrophobicContact CD2-CD1 4.28Å; L188-F291 HydrophobicContact CD2-CE1 3.57Å; L188-F291 HydrophobicContact CD2-CZ 4.16Å; D288-F291 HydrophobicContact CB-CB 4.39Å; D288-F291 WeakPolarHBondContact OD1-CD2 3.48Å; D288-F291 PolarHBondContact OD1-N 3.35Å; F291-N293 PolarHBondContact O-N 3.09Å; F291-A334 HydrophobicContact CE1-CB 4.23Å; F291-A334 HydrophobicContact CZ-CB 4.36Å; F291-V353 HydrophobicContact CD2-CG1 4.12Å; F291-V353 HydrophobicContact CE2-CG1 4.22Å; F291-A354 HydrophobicContact CE2-CB 4.38Å
292	H	91.3	Very high	93.2	Very high	7 Å²	7	42.8 Å²	42.8	3%	0.032	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.8	-99.1	-176.4	-163.7	60.4	0	0	0	113	P190 F235 L239 A248 L251 Q287 D288 C294	P190-H292 HydrophobicContact CB-CB 3.94Å; F235-H292 HydrophobicContact CE1-CB 4.13Å; L239-H292 WeakPolarHBondContact CD1-ND1 3.23Å; A248-H292 PolarHBondContact O-CE1 2.83Å; A248-H292 PolarHBondContact O-NE2 2.02Å; L251-H292 PolarHBondContact O-CD2 2.83Å; L251-H292 VanDerWaalsContact O-CD2 3.31Å; L251-H292 PolarHBondContact O-NE2 3.39Å; L251-H292 VanDerWaalsContact O-NE2 3.12Å; Q287-H292 CarbonylContact C-O 3.59Å; Q287-H292 WeakPolarHBondContact CA-O 3.48Å; D288-H292 PolarHBondContact N-O 3.46Å; D288-H292 VanDerWaalsContact O-CA 3.25Å; D288-H292 WeakPolarHBondContact O-CA 3.37Å; D288-H292 PolarHBondContact O-N 3.43Å; H292-C294 PolarHBondContact O-N 3Å
293	N	94.6	Very high	93	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.037	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	115	-175.7	-70.9	-19.6	0	0	0	111.9	L251 H253 K285 F291 Y295	L251-N293 PolarHBondContact O-ND2 2.8Å; H253-N293 WeakPolarHBondContact O-CB 3.47Å; H253-N293 PolarHBondContact O-ND2 2.83Å; K285-N293 WeakPolarHBondContact CE-OD1 3.37Å; K285-N293 PolarHBondContact NZ-ND2 2.66Å; K285-N293 PolarHBondContact NZ-OD1 2.89Å; K285-N293 VanDerWaalsContact NZ-OD1 3.15Å; F291-N293 PolarHBondContact O-N 3.09Å; N293-Y295 HydrophobicContact CB-CE2 4.32Å
294	C	96.1	Very high	92.8	Very high	1 Å²	1	40 Å²	40	1%	0.007	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	151.8	172.8	-65.8	0	0	0	0	110.8	T184 C186 K285 T286 D288 H292	T184-C294 HydrophobicContact CG2-CB 4.04Å; C186-C294 HydrophobicContact CB-CB 4.09Å; C186-C294 WeakPolarHBondContact CB-SG 3.49Å; C186-C294 WeakPolarHBondContact SG-CB 3.4Å; C186-C294 CovalentContact SG-SG 2.01Å; C186-C294 PolarHBondContact SG-SG 2.7Å; K285-C294 WeakPolarHBondContact CA-O 3.39Å; T286-C294 PolarHBondContact N-O 3.2Å; T286-C294 PolarHBondContact O-N 2.94Å; T286-C294 WeakPolarHBondContact OG1-CB 3.35Å; T286-C294 PolarHBondContact OG1-O 2.98Å; D288-C294 VanDerWaalsContact CB-SG 3.58Å; H292-C294 PolarHBondContact O-N 3Å
295	Y	97.2	Very high	92.6	Very high	21 Å²	21	42.2 Å²	42.2	8%	0.082	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.3	-177.5	-66.7	-79.4	0	0	0	111.2	T184 L185 H253 T254 L255 I258 K285 N293	T184-Y295 CarbonylContact C-O 3.49Å; T184-Y295 WeakPolarHBondContact CA-O 3.17Å; L185-Y295 PolarHBondContact N-O 2.99Å; L185-Y295 PolarHBondContact O-N 2.82Å; H253-Y295 WeakPolarHBondContact O-CE2 3Å; H253-Y295 PolarHBondContact O-OH 2.9Å; T254-Y295 VanDerWaalsContact CA-OH 3.28Å; T254-Y295 WeakPolarHBondContact CA-OH 3.32Å; L255-Y295 HydrophobicContact CB-CD1 3.8Å; L255-Y295 HydrophobicContact CB-CD2 4.45Å; L255-Y295 HydrophobicContact CB-CE1 3.68Å; L255-Y295 HydrophobicContact CB-CE2 4.34Å; L255-Y295 HydrophobicContact CB-CG 4.2Å; L255-Y295 HydrophobicContact CD1-CD1 3.99Å; L255-Y295 HydrophobicContact CD1-CD2 4.38Å; L255-Y295 HydrophobicContact CD1-CG 3.81Å; L255-Y295 HydrophobicContact CG-CD1 4.37Å; L255-Y295 PolarHBondContact N-OH 2.84Å; I258-Y295 HydrophobicContact CD1-CD2 4.01Å; I258-Y295 HydrophobicContact CD1-CE2 4.09Å; K285-Y295 HydrophobicContact CB-CD1 4.31Å; K285-Y295 HydrophobicContact CB-CE1 3.94Å; K285-Y295 HydrophobicContact CG-CE1 4Å; N293-Y295 HydrophobicContact CB-CE2 4.32Å
296	T	97.4	Very high	92.5	Very high	4 Å²	4	41 Å²	41	3%	0.025	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.3	177.8	-58.4	0	0	0	0	110.4	V183 T184 W283 T284 H345	V183-T296 CarbonylContact O-C 3.59Å; V183-T296 WeakPolarHBondContact O-CA 3.46Å; T184-T296 VanDerWaalsContact CG2-OG1 3.32Å; T184-T296 WeakPolarHBondContact CG2-OG1 3.43Å; T184-T296 PolarHBondContact OG1-OG1 3.23Å; W283-T296 CarbonylContact C-O 3.47Å; W283-T296 VanDerWaalsContact CA-O 3.31Å; W283-T296 WeakPolarHBondContact CA-O 3.42Å; T284-T296 PolarHBondContact N-O 3.19Å; T284-T296 PolarHBondContact O-N 3.22Å; T296-H345 WeakPolarHBondContact CG2-NE2 3.28Å
297	Y	97.5	Very high	92.6	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	131.7	170.5	-172.7	-102.4	0	0	0	111	S182 V183 I264 C277 S280 G281 W283 I299 M310	S182-Y297 WeakPolarHBondContact CA-O 3.46Å; V183-Y297 PolarHBondContact N-O 3.13Å; V183-Y297 PolarHBondContact O-N 2.9Å; I264-Y297 HydrophobicContact CD1-CD1 4.13Å; I264-Y297 HydrophobicContact CD1-CE1 3.23Å; C277-Y297 WeakPolarHBondContact CA-OH 3.49Å; C277-Y297 HydrophobicContact CB-CD2 4.33Å; C277-Y297 HydrophobicContact CB-CE2 3.6Å; C277-Y297 WeakPolarHBondContact O-CE2 3.26Å; C277-Y297 PolarHBondContact O-OH 3.36Å; S280-Y297 PolarHBondContact OG-OH 2.85Å; G281-Y297 WeakPolarHBondContact CA-OH 3.4Å; G281-Y297 PolarHBondContact N-OH 2.81Å; G281-Y297 VanDerWaalsContact N-OH 3.12Å; W283-Y297 AromaticContact CD1-CD2 3.86Å; W283-Y297 AromaticContact CD2-CD2 3.7Å; W283-Y297 HydrophobicContact CD2-CD2 3.7Å; W283-Y297 HydrophobicContact CD2-CG 4.31Å; W283-Y297 AromaticContact CE2-CD2 3.4Å; W283-Y297 HydrophobicContact CE3-CD2 4.33Å; W283-Y297 HydrophobicContact CG-CD2 4.01Å; W283-Y297 HydrophobicContact CH2-CD2 4.44Å; W283-Y297 HydrophobicContact CH2-CG 4.35Å; W283-Y297 AromaticContact CZ2-CD2 3.81Å; W283-Y297 HydrophobicContact CZ2-CD2 3.81Å; W283-Y297 HydrophobicContact CZ2-CG 4.1Å; W283-Y297 AromaticContact NE1-CD2 3.49Å; W283-Y297 AromaticContact NE1-CE2 3.89Å; Y297-I299 HydrophobicContact CD1-CG1 4.35Å; Y297-I299 HydrophobicContact CE1-CG1 3.65Å; Y297-M310 HydrophobicContact CD1-CE 3.62Å; Y297-M310 HydrophobicContact CD1-SD 4.16Å; Y297-M310 HydrophobicContact CE1-CE 4.34Å; Y297-M310 HydrophobicContact CG-CE 3.83Å
298	T	96.6	Very high	92.7	Very high	12 Å²	12	38.6 Å²	38.6	7%	0.074	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.8	175	-55.9	0	0	0	0	110.2	S182 G281 Y282 A348	S182-T298 WeakPolarHBondContact OG-CG2 3.47Å; S182-T298 PolarHBondContact OG-OG1 2.85Å; G281-T298 CarbonylContact C-O 3.55Å; G281-T298 WeakPolarHBondContact CA-O 3.4Å; Y282-T298 HydrophobicContact CE1-CG2 4.1Å; Y282-T298 PolarHBondContact N-O 2.01Å; Y282-T298 PolarHBondContact O-N 2.9Å; T298-A348 HydrophobicContact CG2-CB 4.31Å
299	I	95.9	Very high	92.9	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	141.3	175.3	-63.6	174.9	0	0	0	109.5	F180 I264 Y266 Y297 K303 T304 A307	F180-I299 HydrophobicContact CB-CD1 3.88Å; F180-I299 HydrophobicContact CD1-CD1 3.68Å; F180-I299 HydrophobicContact CE1-CD1 4.46Å; F180-I299 HydrophobicContact CG-CD1 3.88Å; I264-I299 HydrophobicContact CD1-CD1 3.79Å; I264-I299 HydrophobicContact CD1-CG1 3.74Å; I264-I299 HydrophobicContact CG2-CD1 4.22Å; Y266-I299 HydrophobicContact CE1-CG2 4.24Å; Y297-I299 HydrophobicContact CD1-CG1 4.35Å; Y297-I299 HydrophobicContact CE1-CG1 3.65Å; I299-K303 HydrophobicContact CG2-CB 4.02Å; I299-T304 HydrophobicContact CB-CG2 4.06Å; I299-T304 HydrophobicContact CG2-CG2 4.02Å; I299-A307 HydrophobicContact CD1-CB 3.73Å
300	N	94.2	Very high	93.4	Very high	65 Å²	65	33.9 Å²	33.9	35%	0.348	19%	0.185	S	C	.	.			trans	-56.9	132.7	174.5	-71.2	-22.6	0	0	0	110.9	S280 N302 K303	S280-N300 PolarHBondContact O-N 2.89Å; N300-N302 PolarHBondContact O-N 3.45Å; N300-K303 PolarHBondContact O-N 3.45Å
301	P	90.4	Very high	93.9	Very high	99 Å²	99	36 Å²	36	64%	0.643	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-46.3	-41.2	-169.3	-32.6	34.9	0	0	0	114.9	K303 T304	P301-K303 PolarHBondContact O-N 3.48Å; P301-K303 VanDerWaalsContact O-N 3.09Å; P301-T304 PolarHBondContact O-N 2.77Å; P301-T304 PolarHBondContact O-OG1 2.92Å
302	N	89.3	Confident	94.2	Very high	160 Å²	160	35.8 Å²	35.8	86%	0.856	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-63.8	-16.5	-176	-59.1	-0.6	0	0	0	114.7	N300	N300-N302 PolarHBondContact O-N 3.45Å
303	K	89.8	Confident	94.4	Very high	81 Å²	81	35.9 Å²	35.9	35%	0.352	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-115.2	-4.5	-177	-62.3	-174.4	177.9	179.3	0	113.9	Y266 I299 N300 P301 N305 T306 A307	Y266-K303 HydrophobicContact CD1-CB 4.09Å; Y266-K303 HydrophobicContact CE1-CB 3.58Å; Y266-K303 HydrophobicContact CE1-CD 4.3Å; Y266-K303 WeakPolarHBondContact CE1-O 3.4Å; I299-K303 HydrophobicContact CG2-CB 4.02Å; N300-K303 PolarHBondContact O-N 3.45Å; P301-K303 PolarHBondContact O-N 3.48Å; P301-K303 VanDerWaalsContact O-N 3.09Å; K303-N305 VanDerWaalsContact C-N 3.31Å; K303-N305 PolarHBondContact O-N 2.98Å; K303-T306 PolarHBondContact O-N 3.32Å; K303-T306 PolarHBondContact O-OG1 3.37Å; K303-T306 VanDerWaalsContact O-OG1 3.11Å; K303-A307 PolarHBondContact O-N 3Å
304	T	91.9	Very high	94.5	Very high	17 Å²	17	35.5 Å²	35.5	10%	0.104	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-60.9	-37.9	-174.3	56.5	0	0	0	0	112.9	F180 I299 P301 T306	F180-T304 PolarHBondContact N-O 3.4Å; F180-T304 VanDerWaalsContact N-O 3.17Å; I299-T304 HydrophobicContact CB-CG2 4.06Å; I299-T304 HydrophobicContact CG2-CG2 4.02Å; P301-T304 PolarHBondContact O-N 2.77Å; P301-T304 PolarHBondContact O-OG1 2.92Å; T304-T306 VanDerWaalsContact C-N 3.27Å; T304-T306 PolarHBondContact O-N 2.75Å
305	N	91.2	Very high	94.4	Very high	73 Å²	73	36.5 Å²	36.5	39%	0.39	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-75.4	-12.6	-177.5	-67.9	-17.5	0	0	0	113.9	P177 R178 P179 K303 F600	P177-N305 HydrophobicContact CB-CB 4.34Å; R178-N305 PolarHBondContact O-OD1 2.87Å; P179-N305 WeakPolarHBondContact CA-OD1 3.12Å; P179-N305 VanDerWaalsContact N-OD1 3.16Å; K303-N305 VanDerWaalsContact C-N 3.31Å; K303-N305 PolarHBondContact O-N 2.98Å; N305-F600 WeakPolarHBondContact O-CE1 3.44Å
306	T	92.2	Very high	94.2	Very high	57 Å²	57	35.7 Å²	35.7	35%	0.35	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-109.6	-6.2	-178.5	59.1	0	0	0	0	113.6	Y266 K267 K303 T304 L308	Y266-T306 WeakPolarHBondContact CA-O 3.39Å; K267-T306 PolarHBondContact N-O 3.46Å; K267-T306 WeakPolarHBondContact O-CB 3.3Å; K303-T306 PolarHBondContact O-N 3.32Å; K303-T306 PolarHBondContact O-OG1 3.37Å; K303-T306 VanDerWaalsContact O-OG1 3.11Å; T304-T306 VanDerWaalsContact C-N 3.27Å; T304-T306 PolarHBondContact O-N 2.75Å; T306-L308 PolarHBondContact O-N 3.03Å
307	A	94.7	Very high	93.8	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	129.2	176.9	0	0	0	0	0	111	F180 I264 Y266 I299 K303	F180-A307 HydrophobicContact CB-CB 3.93Å; F180-A307 HydrophobicContact CD2-CB 3.69Å; F180-A307 HydrophobicContact CE2-CB 4.43Å; F180-A307 HydrophobicContact CG-CB 3.9Å; I264-A307 HydrophobicContact CG2-CB 4.08Å; Y266-A307 HydrophobicContact CD1-CB 4.05Å; Y266-A307 HydrophobicContact CE1-CB 3.84Å; I299-A307 HydrophobicContact CD1-CB 3.73Å; K303-A307 PolarHBondContact O-N 3Å
308	L	94	Very high	93.2	Very high	38 Å²	38	38.2 Å²	38.2	20%	0.199	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-49.4	-179	-67.8	176.5	0	0	0	111.7	L265 K267 T272 T306 R597 F600	L265-L308 PolarHBondContact O-N 3.12Å; K267-L308 HydrophobicContact CB-CD1 3.85Å; K267-L308 HydrophobicContact CB-CD2 4.13Å; K267-L308 HydrophobicContact CB-CG 3.94Å; K267-L308 HydrophobicContact CD-CD2 4.42Å; K267-L308 HydrophobicContact CG-CD1 4.47Å; T272-L308 HydrophobicContact CG2-CD1 3.58Å; T306-L308 PolarHBondContact O-N 3.03Å; L308-R597 WeakPolarHBondContact O-CB 3.5Å; L308-R597 PolarHBondContact O-N 3.48Å; L308-F600 HydrophobicContact CD2-CE2 3.69Å; L308-F600 HydrophobicContact CD2-CZ 3.5Å
309	N	94.9	Very high	92.1	Very high	24 Å²	24	39.7 Å²	39.7	13%	0.128	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	160.4	178.4	73.4	-4.1	0	0	0	111.4	I264 L265 E311 I595	I264-N309 VanDerWaalsContact CA-O 3.32Å; I264-N309 WeakPolarHBondContact CA-O 3.43Å; I264-N309 WeakPolarHBondContact CG2-O 3.32Å; L265-N309 WeakPolarHBondContact CB-OD1 2.98Å; L265-N309 WeakPolarHBondContact CD1-ND2 3.06Å; L265-N309 WeakPolarHBondContact CD1-OD1 3.4Å; L265-N309 WeakPolarHBondContact CG-OD1 3.45Å; L265-N309 PolarHBondContact N-O 3.38Å; L265-N309 PolarHBondContact N-OD1 3.12Å; N309-E311 PolarHBondContact ND2-OE1 3.38Å; N309-I595 CarbonylContact C-O 3.57Å; N309-I595 WeakPolarHBondContact CA-O 3.23Å; N309-I595 WeakPolarHBondContact CB-O 3.37Å
310	M	96.7	Very high	90.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128	170	-179.6	179.2	-173.6	0	0	107.7	F180 V183 C262 F263 I264 W283 Y297 L312 I594 I595	F180-M310 HydrophobicContact CE1-CB 4.25Å; F180-M310 HydrophobicContact CZ-CB 4.08Å; V183-M310 HydrophobicContact CB-SD 4.25Å; V183-M310 HydrophobicContact CG2-SD 3.82Å; C262-M310 WeakPolarHBondContact SG-CE 3.47Å; F263-M310 CarbonylContact O-C 3.53Å; F263-M310 WeakPolarHBondContact O-CA 3.37Å; I264-M310 HydrophobicContact CD1-CG 4.43Å; I264-M310 HydrophobicContact CG1-CB 4.11Å; I264-M310 HydrophobicContact CG1-CG 3.94Å; W283-M310 HydrophobicContact CH2-CE 4.37Å; W283-M310 HydrophobicContact CZ2-CE 4.5Å; Y297-M310 HydrophobicContact CD1-CE 3.62Å; Y297-M310 HydrophobicContact CD1-SD 4.16Å; Y297-M310 HydrophobicContact CE1-CE 4.34Å; Y297-M310 HydrophobicContact CG-CE 3.83Å; M310-L312 HydrophobicContact CE-CD1 3.9Å; M310-L312 HydrophobicContact CE-CD2 3.96Å; M310-L312 HydrophobicContact CE-CG 4.05Å; M310-L312 HydrophobicContact CG-CD1 4.46Å; M310-L312 HydrophobicContact CG-CG 4.4Å; M310-L312 HydrophobicContact SD-CD1 4.33Å; M310-I594 CarbonylContact O-C 3.53Å; M310-I594 WeakPolarHBondContact O-CA 3.44Å; M310-I595 HydrophobicContact CB-CB 4.33Å; M310-I595 PolarHBondContact N-O 3.31Å; M310-I595 PolarHBondContact O-N 3.23Å; M310-I595 HydrophobicContact SD-CD1 4.25Å
311	E	96.8	Very high	89.3	Confident	76 Å²	76	48.9 Å²	48.9	36%	0.355	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.7	-179.1	-65.9	175.2	-161.2	0	0	109	C262 F263 N309 I593 I594	C262-E311 CarbonylContact C-O 3.53Å; C262-E311 VanDerWaalsContact CA-O 3.32Å; C262-E311 WeakPolarHBondContact CA-O 3.06Å; F263-E311 PolarHBondContact N-O 3.4Å; F263-E311 PolarHBondContact O-N 3.31Å; N309-E311 PolarHBondContact ND2-OE1 3.38Å; E311-I593 WeakPolarHBondContact CA-O 3.38Å; E311-I594 HydrophobicContact CG-CG1 4.33Å; E311-I594 HydrophobicContact CG-CG2 4.47Å
312	L	96.6	Very high	88.3	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	141.2	-177.4	-72.9	157.5	0	0	0	110.2	V259 R261 C262 W283 M310 V314 S592 I593 I595	V259-L312 HydrophobicContact CG1-CD2 3.79Å; R261-L312 CarbonylContact O-C 3.51Å; R261-L312 VanDerWaalsContact O-CA 3.3Å; R261-L312 WeakPolarHBondContact O-CA 3.1Å; C262-L312 HydrophobicContact CB-CD2 3.76Å; C262-L312 WeakPolarHBondContact SG-CD2 3.27Å; W283-L312 HydrophobicContact CH2-CD2 4.35Å; M310-L312 HydrophobicContact CE-CD1 3.9Å; M310-L312 HydrophobicContact CE-CD2 3.96Å; M310-L312 HydrophobicContact CE-CG 4.05Å; M310-L312 HydrophobicContact CG-CD1 4.46Å; M310-L312 HydrophobicContact CG-CG 4.4Å; M310-L312 HydrophobicContact SD-CD1 4.33Å; L312-V314 HydrophobicContact CB-CG2 4.42Å; L312-S592 WeakPolarHBondContact O-CA 3.32Å; L312-I593 HydrophobicContact CB-CB 4.13Å; L312-I593 PolarHBondContact N-O 3.25Å; L312-I593 PolarHBondContact O-N 3.13Å; L312-I595 HydrophobicContact CD1-CD1 4.44Å
313	V	95.1	Very high	87.6	Confident	8 Å²	8	47.3 Å²	47.3	5%	0.048	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.7	161.8	-179.5	0	0	0	0	107.4	K260 R261 W511 F590	K260-V313 PolarHBondContact N-O 3.34Å; R261-V313 HydrophobicContact CB-CB 3.88Å; R261-V313 HydrophobicContact CB-CG2 4.04Å; R261-V313 PolarHBondContact N-O 3.37Å; R261-V313 PolarHBondContact O-N 3.5Å; V313-W511 HydrophobicContact CG1-CH2 4.05Å; V313-W511 HydrophobicContact CG2-CH2 4.32Å; V313-F590 HydrophobicContact CG1-CD1 3.98Å
314	V	95.5	Very high	87.2	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.2	-173.6	175.9	0	0	0	0	109.8	L185 I258 L312 L316 F590 L591 I593	L185-V314 HydrophobicContact CD2-CG1 4.38Å; L185-V314 HydrophobicContact CD2-CG2 3.64Å; I258-V314 HydrophobicContact CG2-CG1 3.53Å; I258-V314 CarbonylContact O-C 3.57Å; I258-V314 VanDerWaalsContact O-CA 3.25Å; I258-V314 WeakPolarHBondContact O-CA 3.18Å; L312-V314 HydrophobicContact CB-CG2 4.42Å; V314-L316 HydrophobicContact CG1-CD2 3.8Å; V314-L316 HydrophobicContact CG1-CG 4.4Å; V314-F590 WeakPolarHBondContact O-CA 3.44Å; V314-L591 HydrophobicContact CB-CB 4.5Å; V314-L591 PolarHBondContact N-O 3.32Å; V314-L591 PolarHBondContact O-N 2.97Å; V314-I593 HydrophobicContact CG2-CD1 3.88Å
315	Y	93.7	Very high	86.9	Confident	22 Å²	22	48.3 Å²	48.3	9%	0.086	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.8	169.6	179.7	-108.8	0	0	0	109.5	I258 K260 D317 N589 F590	I258-Y315 PolarHBondContact O-N 2.83Å; K260-Y315 VanDerWaalsContact CE-CB 3.45Å; Y315-D317 HydrophobicContact CD1-CB 4.18Å; Y315-D317 HydrophobicContact CE1-CB 3.63Å; Y315-N589 CarbonylContact C-O 3.49Å; Y315-N589 WeakPolarHBondContact CA-O 3.3Å; Y315-N589 HydrophobicContact CD2-CB 4.09Å; Y315-N589 HydrophobicContact CE2-CB 3.73Å; Y315-F590 HydrophobicContact CD2-CD2 4.04Å; Y315-F590 HydrophobicContact CD2-CE1 4.08Å; Y315-F590 AromaticContact CD2-CE2 3.53Å; Y315-F590 HydrophobicContact CD2-CE2 3.53Å; Y315-F590 AromaticContact CD2-CZ 3.55Å; Y315-F590 HydrophobicContact CD2-CZ 3.55Å; Y315-F590 AromaticContact CE2-CE2 3.88Å; Y315-F590 HydrophobicContact CE2-CE2 3.88Å; Y315-F590 HydrophobicContact CE2-CZ 4.2Å; Y315-F590 HydrophobicContact CG-CZ 4.39Å
316	L	93	Very high	86.8	Confident	4 Å²	4	45 Å²	45	2%	0.021	24%	0.238	C	C	.	.			trans	-107	-9.1	-168.6	-62.3	170.6	0	0	0	113.9	N187 V314 N318 G339 A340 P362 N589 L591	N187-L316 PolarHBondContact ND2-O 2.96Å; V314-L316 HydrophobicContact CG1-CD2 3.8Å; V314-L316 HydrophobicContact CG1-CG 4.4Å; L316-N318 VanDerWaalsContact C-N 3.28Å; L316-N318 PolarHBondContact O-N 3.33Å; L316-G339 WeakPolarHBondContact CD2-O 3.22Å; L316-A340 HydrophobicContact CD2-CB 3.95Å; L316-P362 HydrophobicContact CD1-CB 3.76Å; L316-P362 HydrophobicContact CD1-CG 4.5Å; L316-N589 WeakPolarHBondContact CB-O 3.37Å; L316-N589 PolarHBondContact N-O 3.43Å; L316-L591 HydrophobicContact CD1-CB 4.35Å
317	D	89.4	Confident	86.6	Confident	32 Å²	32	42.4 Å²	42.4	17%	0.171	22%	0.222	C	C	.	.			trans	48.7	50	178.7	-172.2	29.5	0	0	0	112.4	S192 T193 H253 Y315 L319	S192-D317 WeakPolarHBondContact CA-OD2 3.29Å; T193-D317 WeakPolarHBondContact CB-OD1 3.41Å; T193-D317 WeakPolarHBondContact CB-OD2 3.36Å; T193-D317 PolarHBondContact N-OD2 3.2Å; T193-D317 VanDerWaalsContact OG1-CG 3.23Å; T193-D317 PolarHBondContact OG1-OD1 3.04Å; T193-D317 PolarHBondContact OG1-OD2 3.02Å; H253-D317 IonicContact CE1-OD2 3.52Å; Y315-D317 HydrophobicContact CD1-CB 4.18Å; Y315-D317 HydrophobicContact CE1-CB 3.63Å; D317-L319 PolarHBondContact O-N 3.36Å
318	N	85.5	Confident	86.2	Confident	26 Å²	26	43.9 Å²	43.9	14%	0.139	23%	0.232	C	C	.	.			trans	-79.1	118.8	-177.5	-169.6	13.2	0	0	0	110.6	L316 I320 T338 Q588 N589	L316-N318 VanDerWaalsContact C-N 3.28Å; L316-N318 PolarHBondContact O-N 3.33Å; N318-I320 HydrophobicContact CB-CD1 4.44Å; N318-I320 HydrophobicContact CB-CG1 4.35Å; N318-I320 PolarHBondContact O-N 3.13Å; N318-T338 VanDerWaalsContact OD1-CG2 3.24Å; N318-T338 WeakPolarHBondContact OD1-CG2 3.32Å; N318-Q588 PolarHBondContact ND2-O 3.39Å; N318-N589 WeakPolarHBondContact CA-OD1 3.4Å; N318-N589 WeakPolarHBondContact CB-OD1 3.35Å; N318-N589 PolarHBondContact N-OD1 3.27Å; N318-N589 PolarHBondContact O-OD1 2.85Å
319	L	72.6	Confident	85.6	Confident	44 Å²	44	42.7 Å²	42.7	23%	0.23	23%	0.226	C	C	.	.			trans	-87.6	98.1	177.8	-75.8	171.1	0	0	0	110.6	T193 I196 D317	T193-L319 HydrophobicContact CG2-CD1 4.24Å; T193-L319 HydrophobicContact CG2-CD2 3.72Å; T193-L319 HydrophobicContact CG2-CG 4.34Å; T193-L319 WeakPolarHBondContact OG1-CD1 3.41Å; T193-L319 VanDerWaalsContact OG1-CD2 3.27Å; T193-L319 WeakPolarHBondContact OG1-CD2 3.02Å; T193-L319 VanDerWaalsContact OG1-CG 3.22Å; T193-L319 WeakPolarHBondContact OG1-CG 3.27Å; I196-L319 HydrophobicContact CD1-CD1 3.75Å; D317-L319 PolarHBondContact O-N 3.36Å
320	I	66.7	Low	84.7	Confident	77 Å²	77	48.4 Å²	48.4	40%	0.395	25%	0.252	S	S	.	.			trans	-98.2	-21.1	-173.5	-55.8	164.1	0	0	0	111	N318 Q322 Q588	N318-I320 HydrophobicContact CB-CD1 4.44Å; N318-I320 HydrophobicContact CB-CG1 4.35Å; N318-I320 PolarHBondContact O-N 3.13Å; I320-Q322 VanDerWaalsContact C-N 3.33Å; I320-Q322 PolarHBondContact O-N 3.5Å; I320-Q588 HydrophobicContact CD1-CB 3.21Å; I320-Q588 HydrophobicContact CD1-CG 3.74Å
321	E	65.3	Low	83.7	Confident	186 Å²	186	55.4 Å²	55.4	87%	0.869	28%	0.278	S	S	*	.	S	Bend	trans	-96.1	29.2	-177.4	-59.2	-176.2	172.6	0	0	112.6
322	Q	70.4	Confident	82.7	Confident	70 Å²	70	53.9 Å²	53.9	33%	0.327	27%	0.274	S	S	.	.			trans	-123.1	133	174.8	-68.3	-174.7	33.5	0	0	110.2	I320 D324	I320-Q322 VanDerWaalsContact C-N 3.33Å; I320-Q322 PolarHBondContact O-N 3.5Å; Q322-D324 VanDerWaalsContact C-N 3.35Å
323	T	73.9	Confident	81.7	Confident	156 Å²	156	59.3 Å²	59.3	96%	0.957	30%	0.3	S	S	*	.	S	Bend	trans	-81.3	-20.5	172.5	51.6	0	0	0	0	112
324	D	80.2	Confident	80.8	Confident	76 Å²	76	60.1 Å²	60.1	41%	0.406	31%	0.308	S	S	.	.	S	Bend	trans	-102.7	125.6	179.8	64.6	-43.5	0	0	0	111	K200 Q322	K200-D324 WeakPolarHBondContact CE-OD2 3.45Å; K200-D324 IonicContact NZ-OD1 3.48Å; K200-D324 IonicContact NZ-OD2 3.95Å; K200-D324 PolarHBondContact NZ-OD2 3.24Å; Q322-D324 VanDerWaalsContact C-N 3.35Å
325	C	86.1	Confident	80	Confident	43 Å²	43	60.8 Å²	60.8	29%	0.291	31%	0.312	S	S	.	.			trans	-99.6	100.7	175.6	-173.6	0	0	0	0	110.4	R189 D327 C328	R189-C325 PolarHBondContact NH1-SG 3.17Å; C325-D327 PolarHBondContact O-N 3.47Å; C325-C328 HydrophobicContact CB-CB 3.6Å; C325-C328 WeakPolarHBondContact CB-SG 3.25Å; C325-C328 WeakPolarHBondContact SG-CB 3.5Å; C325-C328 PolarHBondContact SG-N 3.35Å; C325-C328 CovalentContact SG-SG 2.01Å; C325-C328 PolarHBondContact SG-SG 3.04Å
326	F	89.3	Confident	79.3	Confident	3 Å²	3	64.8 Å²	64.8	1%	0.013	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-28.5	-171.9	-169.5	-87.7	0	0	0	114.6	F191 I196 L199 K200 V204 P206 V207	F191-F326 HydrophobicContact CD2-CD1 4.5Å; I196-F326 HydrophobicContact CG1-CB 4.41Å; I196-F326 HydrophobicContact CG1-CD1 4.47Å; I196-F326 HydrophobicContact CG2-CB 3.9Å; I196-F326 HydrophobicContact CG2-CD2 4.33Å; I196-F326 HydrophobicContact CG2-CG 3.99Å; L199-F326 HydrophobicContact CB-CE1 3.87Å; L199-F326 HydrophobicContact CB-CE2 4.47Å; L199-F326 HydrophobicContact CB-CZ 3.67Å; L199-F326 HydrophobicContact CD1-CD1 4.37Å; L199-F326 HydrophobicContact CD1-CE1 3.71Å; L199-F326 HydrophobicContact CD1-CZ 4.39Å; L199-F326 HydrophobicContact CG-CE1 4.39Å; K200-F326 HydrophobicContact CG-CD2 3.9Å; K200-F326 HydrophobicContact CG-CE2 3.86Å; V204-F326 HydrophobicContact CB-CZ 4.24Å; V204-F326 HydrophobicContact CG1-CZ 4.12Å; V204-F326 WeakPolarHBondContact O-CE2 3.28Å; P206-F326 CarbonylContact C-O 3.58Å; P206-F326 VanDerWaalsContact CA-O 3.28Å; P206-F326 WeakPolarHBondContact CA-O 3.44Å; P206-F326 HydrophobicContact CB-CD2 4.23Å; P206-F326 HydrophobicContact CB-CE2 4.45Å; P206-F326 HydrophobicContact CG-CD2 3.82Å; P206-F326 HydrophobicContact CG-CE2 3.91Å; V207-F326 PolarHBondContact N-O 3.37Å
327	D	88.1	Confident	79	Confident	4 Å²	4	68 Å²	68	2%	0.021	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.3	12.2	-167.2	59.8	-25.2	0	0	0	112.4	R189 P190 F191 V207 C325	R189-D327 IonicContact CZ-OD1 2.73Å; R189-D327 IonicContact CZ-OD2 3.84Å; R189-D327 IonicContact NE-OD1 3.92Å; R189-D327 IonicContact NE-OD2 3.96Å; R189-D327 VanDerWaalsContact NH1-CG 3.25Å; R189-D327 IonicContact NH1-OD1 3.22Å; R189-D327 PolarHBondContact NH1-OD1 3.41Å; R189-D327 IonicContact NH1-OD2 3.42Å; R189-D327 PolarHBondContact NH1-OD2 3.37Å; R189-D327 IonicContact NH2-OD1 3.32Å; R189-D327 PolarHBondContact NH2-OD1 3.33Å; R189-D327 IonicContact NH2-OD2 3.04Å; R189-D327 PolarHBondContact NH2-OD2 3.31Å; P190-D327 WeakPolarHBondContact CD-OD2 3.33Å; P190-D327 HydrophobicContact CG-CB 4.21Å; F191-D327 HydrophobicContact CD2-CB 3.78Å; F191-D327 HydrophobicContact CE2-CB 4.22Å; V207-D327 HydrophobicContact CG2-CB 4.37Å; C325-D327 PolarHBondContact O-N 3.47Å
328	C	86.6	Confident	79	Confident	30 Å²	30	69.4 Å²	69.4	20%	0.203	36%	0.359	C	S	.	.			trans	-72.8	145.4	168.7	-75.4	0	0	0	0	110.2	D208 C325	D208-C328 PolarHBondContact N-O 3.26Å; C325-C328 HydrophobicContact CB-CB 3.6Å; C325-C328 WeakPolarHBondContact CB-SG 3.25Å; C325-C328 WeakPolarHBondContact SG-CB 3.5Å; C325-C328 PolarHBondContact SG-N 3.35Å; C325-C328 CovalentContact SG-SG 2.01Å; C325-C328 PolarHBondContact SG-SG 3.04Å
329	Q	80.7	Confident	79.4	Confident	14 Å²	14	68.2 Å²	68.2	7%	0.065	35%	0.353	C	S	.	.			trans	-132	121.7	174.6	176.4	176	6.8	0	0	109.3	V207 F211 W233 R331 V332 S335	V207-Q329 HydrophobicContact CG1-CB 4.23Å; F211-Q329 HydrophobicContact CD2-CB 4.48Å; F211-Q329 HydrophobicContact CD2-CG 3.79Å; F211-Q329 HydrophobicContact CE2-CB 4.29Å; F211-Q329 HydrophobicContact CE2-CG 3.7Å; F211-Q329 VanDerWaalsContact CE2-NE2 3.26Å; W233-Q329 PolarHBondContact O-NE2 2.92Å; Q329-R331 HydrophobicContact CG-CB 4.27Å; Q329-R331 PolarHBondContact O-N 3.09Å; Q329-V332 HydrophobicContact CB-CB 4.22Å; Q329-V332 HydrophobicContact CG-CB 4.15Å; Q329-V332 HydrophobicContact CG-CG2 4.1Å; Q329-V332 CarbonylContact O-C 3.33Å; Q329-V332 PolarHBondContact O-N 3.34Å; Q329-V332 VanDerWaalsContact O-N 3.1Å; Q329-S335 PolarHBondContact N-OG 3.32Å; Q329-S335 PolarHBondContact O-OG 2.92Å
330	E	76.9	Confident	80.5	Confident	144 Å²	144	66.1 Å²	66.1	67%	0.673	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-36.6	179.1	-170.1	-174.6	-177.1	0	0	112.7	M333	E330-M333 WeakPolarHBondContact O-CE 2.95Å
331	R	74.4	Confident	81.9	Confident	147 Å²	147	64 Å²	64	56%	0.555	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-18.4	-179.1	-67.5	-173.2	178	175.5	4.9	114.8	W233 Q329	W233-R331 VanDerWaalsContact CE3-NH1 3.25Å; Q329-R331 HydrophobicContact CG-CB 4.27Å; Q329-R331 PolarHBondContact O-N 3.09Å
332	V	76.6	Confident	83.4	Confident	44 Å²	44	55.2 Å²	55.2	27%	0.267	29%	0.288	S	S	.	.			trans	-116.9	92.1	-175	178.2	0	0	0	0	107.5	V290 Q329 A334 S335	V290-V332 HydrophobicContact CG1-CG1 4.15Å; Q329-V332 HydrophobicContact CB-CB 4.22Å; Q329-V332 HydrophobicContact CG-CB 4.15Å; Q329-V332 HydrophobicContact CG-CG2 4.1Å; Q329-V332 CarbonylContact O-C 3.33Å; Q329-V332 PolarHBondContact O-N 3.34Å; Q329-V332 VanDerWaalsContact O-N 3.1Å; V332-A334 HydrophobicContact CG1-CB 4.07Å; V332-A334 PolarHBondContact O-N 3.4Å; V332-S335 WeakPolarHBondContact O-CB 3.45Å; V332-S335 PolarHBondContact O-N 2.96Å; V332-S335 PolarHBondContact O-OG 3.33Å
333	M	75.1	Confident	84.7	Confident	115 Å²	115	52.2 Å²	52.2	57%	0.567	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-51.1	-33.8	-179.9	-64.6	-65.5	98.9	0	0	112.5	E330 S335 Q336	E330-M333 WeakPolarHBondContact O-CE 2.95Å; M333-S335 PolarHBondContact O-N 3.36Å; M333-Q336 WeakPolarHBondContact O-CB 3.06Å; M333-Q336 PolarHBondContact O-N 3.22Å
334	A	76.1	Confident	85.8	Confident	26 Å²	26	45.7 Å²	45.7	22%	0.215	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-58.8	-28.7	177.2	0	0	0	0	0	113.8	F291 V332 Q336 L337	F291-A334 HydrophobicContact CE1-CB 4.23Å; F291-A334 HydrophobicContact CZ-CB 4.36Å; V332-A334 HydrophobicContact CG1-CB 4.07Å; V332-A334 PolarHBondContact O-N 3.4Å; A334-Q336 PolarHBondContact O-N 2.86Å; A334-L337 PolarHBondContact O-N 3.05Å
335	S	78.5	Confident	86.6	Confident	13 Å²	13	42.4 Å²	42.4	9%	0.091	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-69.7	-18.8	177	70.3	0	0	0	0	113.6	Q329 V332 M333	Q329-S335 PolarHBondContact N-OG 3.32Å; Q329-S335 PolarHBondContact O-OG 2.92Å; V332-S335 WeakPolarHBondContact O-CB 3.45Å; V332-S335 PolarHBondContact O-N 2.96Å; V332-S335 PolarHBondContact O-OG 3.33Å; M333-S335 PolarHBondContact O-N 3.36Å
336	Q	79.9	Confident	87	Confident	106 Å²	106	42.6 Å²	42.6	50%	0.495	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-91.9	-1.8	178.3	-55.7	178.8	0.5	0	0	112.2	M333 A334	M333-Q336 WeakPolarHBondContact O-CB 3.06Å; M333-Q336 PolarHBondContact O-N 3.22Å; A334-Q336 PolarHBondContact O-N 2.86Å
337	L	87.8	Confident	87	Confident	72 Å²	72	43.9 Å²	43.9	38%	0.377	23%	0.23	S	C	.	.			trans	-94.4	149.3	-179.8	-57.5	179.9	0	0	0	110.8	L188 A334	L188-L337 HydrophobicContact CD1-CB 3.74Å; A334-L337 PolarHBondContact O-N 3.05Å
338	T	88.5	Confident	87.1	Confident	62 Å²	62	44.5 Å²	44.5	38%	0.38	24%	0.236	S	C	.	.			trans	-117	135.1	170.9	58.5	0	0	0	0	108.5	N318 P362	N318-T338 VanDerWaalsContact OD1-CG2 3.24Å; N318-T338 WeakPolarHBondContact OD1-CG2 3.32Å; T338-P362 WeakPolarHBondContact O-CD 3.01Å
339	G	93.7	Very high	87.5	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.01	23%	0.229	C	C	.	.	S	Bend	trans	143.8	-172.5	-169.4	0	0	0	0	0	113.1	N187 L188 L316 L360	N187-G339 PolarHBondContact OD1-O 2.8Å; L188-G339 WeakPolarHBondContact CB-O 3.35Å; L188-G339 WeakPolarHBondContact CG-O 3.25Å; L188-G339 PolarHBondContact N-O 3.34Å; L188-G339 VanDerWaalsContact N-O 3.09Å; L316-G339 WeakPolarHBondContact CD2-O 3.22Å; G339-L360 VanDerWaalsContact CA-O 3.23Å; G339-L360 WeakPolarHBondContact CA-O 3.44Å
340	A	95.6	Very high	88.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	156.6	172	0	0	0	0	0	110.6	L185 C186 L316 L360 L591	L185-A340 HydrophobicContact CD1-CB 3.74Å; C186-A340 CarbonylContact O-C 3.57Å; C186-A340 WeakPolarHBondContact O-CA 3.41Å; L316-A340 HydrophobicContact CD2-CB 3.95Å; A340-L360 HydrophobicContact CB-CB 4.49Å; A340-L360 PolarHBondContact N-O 2.98Å; A340-L360 VanDerWaalsContact N-O 3.11Å; A340-L360 PolarHBondContact O-N 2.65Å; A340-L591 HydrophobicContact CB-CD2 3.97Å
341	R	95.4	Very high	89.1	Confident	32 Å²	32	38.7 Å²	38.7	12%	0.121	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.9	167.8	-162.4	171.1	173.1	78.3	-1.9	109.9	L185 C186 L188 V353 A354 G357 V358 N359	L185-R341 WeakPolarHBondContact CA-O 3.39Å; C186-R341 PolarHBondContact N-O 3.03Å; C186-R341 PolarHBondContact O-N 2.81Å; L188-R341 HydrophobicContact CD2-CB 3.82Å; R341-V353 HydrophobicContact CB-CG1 4.06Å; R341-V353 HydrophobicContact CG-CG1 3.7Å; R341-V353 PolarHBondContact NE-O 3.21Å; R341-V353 PolarHBondContact NH2-O 3.22Å; R341-A354 PolarHBondContact NH2-O 3.26Å; R341-G357 PolarHBondContact NH1-O 3.1Å; R341-G357 VanDerWaalsContact NH1-O 3.08Å; R341-G357 PolarHBondContact NH2-O 3.03Å; R341-V358 CarbonylContact C-O 3.53Å; R341-V358 WeakPolarHBondContact CA-O 3.38Å; R341-N359 PolarHBondContact NH1-OD1 3.24Å
342	L	97.5	Very high	90.1	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.6	-173.3	-174.9	152.3	0	0	0	111.6	V183 T184 L185 L344 G357 V358 L360 I368 I593 I595	V183-L342 HydrophobicContact CG1-CD1 3.92Å; V183-L342 HydrophobicContact CG1-CD2 4.32Å; V183-L342 HydrophobicContact CG1-CG 4.02Å; T184-L342 CarbonylContact O-C 3.57Å; T184-L342 VanDerWaalsContact O-CA 3.25Å; T184-L342 WeakPolarHBondContact O-CA 3.34Å; L185-L342 HydrophobicContact CD1-CD1 4.5Å; L342-L344 HydrophobicContact CD2-CD2 3.73Å; L342-L344 HydrophobicContact CD2-CG 4.03Å; L342-G357 CarbonylContact O-C 3.57Å; L342-G357 WeakPolarHBondContact O-CA 3.42Å; L342-V358 HydrophobicContact CB-CG2 4.37Å; L342-V358 PolarHBondContact N-O 2.95Å; L342-V358 WeakPolarHBondContact O-CG2 3.3Å; L342-V358 PolarHBondContact O-N 3.04Å; L342-L360 HydrophobicContact CB-CD1 3.73Å; L342-L360 HydrophobicContact CB-CG 4.37Å; L342-L360 HydrophobicContact CD1-CD1 3.94Å; L342-L360 HydrophobicContact CG-CD1 4.48Å; L342-I368 HydrophobicContact CD1-CD1 4.11Å; L342-I368 HydrophobicContact CD2-CD1 3.9Å; L342-I593 HydrophobicContact CD1-CD1 4.11Å; L342-I593 HydrophobicContact CD1-CG2 3.89Å; L342-I595 HydrophobicContact CD1-CD1 4.05Å
343	L	97.6	Very high	90.9	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.042	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.5	175.6	175.3	63.8	0	0	0	110.3	V183 T184 H345 P351 V353 E356	V183-L343 WeakPolarHBondContact CA-O 3.42Å; T184-L343 PolarHBondContact N-O 3.04Å; T184-L343 PolarHBondContact O-N 3.45Å; L343-H345 HydrophobicContact CD2-CB 4.41Å; L343-H345 HydrophobicContact CG-CB 4.27Å; L343-P351 HydrophobicContact CD2-CB 4.29Å; L343-V353 HydrophobicContact CB-CG2 3.87Å; L343-V353 HydrophobicContact CD2-CG2 4.12Å; L343-E356 HydrophobicContact CD1-CB 3.55Å
344	L	97.6	Very high	91.6	Very high	18 Å²	18	28.5 Å²	28.5	9%	0.094	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123	167.9	-57.1	-176	0	0	0	108.8	P181 V183 L342 I368 F370 P504 I595	P181-L344 HydrophobicContact CB-CB 4.24Å; P181-L344 HydrophobicContact CG-CB 4.43Å; P181-L344 HydrophobicContact CG-CD2 4.3Å; V183-L344 HydrophobicContact CG1-CD2 4.4Å; V183-L344 HydrophobicContact CG2-CD2 3.84Å; L342-L344 HydrophobicContact CD2-CD2 3.73Å; L342-L344 HydrophobicContact CD2-CG 4.03Å; L344-I368 HydrophobicContact CD1-CG2 3.98Å; L344-F370 HydrophobicContact CD1-CB 4Å; L344-F370 HydrophobicContact CD1-CD1 4.33Å; L344-F370 HydrophobicContact CD1-CG 4.41Å; L344-P504 HydrophobicContact CD1-CB 4.42Å; L344-I595 HydrophobicContact CD1-CG2 4.27Å; L344-I595 HydrophobicContact CD2-CD1 4.15Å; L344-I595 HydrophobicContact CD2-CG2 3.99Å
345	H	96.4	Very high	92.3	Very high	7 Å²	7	32 Å²	32	3%	0.032	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	165.7	-177	66.7	90.9	0	0	0	112	P181 S182 T184 T296 L343 S349	P181-H345 WeakPolarHBondContact CA-O 3.24Å; P181-H345 WeakPolarHBondContact CB-O 3.27Å; S182-H345 WeakPolarHBondContact CB-CE1 3.42Å; S182-H345 PolarHBondContact N-O 2.93Å; S182-H345 PolarHBondContact O-N 2.79Å; T184-H345 PolarHBondContact OG1-CD2 3.1Å; T184-H345 PolarHBondContact OG1-NE2 3.49Å; T296-H345 WeakPolarHBondContact CG2-NE2 3.28Å; L343-H345 HydrophobicContact CD2-CB 4.41Å; L343-H345 HydrophobicContact CG-CB 4.27Å; H345-S349 PolarHBondContact CE1-O 2.83Å; H345-S349 PolarHBondContact ND1-OG 3.3Å
346	P	94.4	Very high	93	Very high	47 Å²	47	36.1 Å²	36.1	31%	0.305	19%	0.19	S	C	.	.	S	Bend	trans	-52.3	147.4	174.6	-28.5	38.5	0	0	0	113.3	A348 S349 Y500 Y502	P346-A348 PolarHBondContact O-N 3.38Å; P346-S349 PolarHBondContact O-N 3.11Å; P346-S349 VanDerWaalsContact O-N 3.1Å; P346-S349 PolarHBondContact O-OG 2.9Å; P346-S349 VanDerWaalsContact O-OG 3.13Å; P346-Y500 VanDerWaalsContact CG-O 3.24Å; P346-Y500 WeakPolarHBondContact CG-O 3.15Å; P346-Y502 HydrophobicContact CG-CE2 4.34Å
347	G	90.1	Very high	93.7	Very high	31 Å²	31	31.5 Å²	31.5	32%	0.32	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	122.7	-173.9	0	0	0	0	0	112.2	S182 S349 T401	S182-G347 WeakPolarHBondContact OG-CA 3.4Å; G347-S349 PolarHBondContact O-N 3.26Å; G347-S349 VanDerWaalsContact O-N 3.13Å; G347-T401 WeakPolarHBondContact O-CB 3.38Å; G347-T401 PolarHBondContact O-OG1 3.49Å; G347-T401 VanDerWaalsContact O-OG1 3.07Å
348	A	89.7	Confident	94	Very high	16 Å²	16	29.8 Å²	29.8	13%	0.132	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	18.6	178.4	0	0	0	0	0	116.4	S182 T298 P346 Y400 T401	S182-A348 PolarHBondContact OG-N 3.31Å; T298-A348 HydrophobicContact CG2-CB 4.31Å; P346-A348 PolarHBondContact O-N 3.38Å; A348-Y400 CarbonylContact O-C 3.23Å; A348-Y400 WeakPolarHBondContact O-CA 3.23Å; A348-Y400 WeakPolarHBondContact O-CB 3.43Å; A348-T401 PolarHBondContact O-N 3.26Å
349	S	94.8	Very high	94.3	Very high	10 Å²	10	30.7 Å²	30.7	7%	0.07	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-72.9	160.5	172.7	70.3	0	0	0	0	112.1	H345 P346 G347	H345-S349 PolarHBondContact CE1-O 2.83Å; H345-S349 PolarHBondContact ND1-OG 3.3Å; P346-S349 PolarHBondContact O-N 3.11Å; P346-S349 VanDerWaalsContact O-N 3.1Å; P346-S349 PolarHBondContact O-OG 2.9Å; P346-S349 VanDerWaalsContact O-OG 3.13Å; G347-S349 PolarHBondContact O-N 3.26Å; G347-S349 VanDerWaalsContact O-N 3.13Å
350	Y	95.5	Very high	94.5	Very high	49 Å²	49	30.9 Å²	30.9	19%	0.192	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-64	124.9	175.5	-175.6	-96	0	0	0	110.3	F395 Y400 P428	Y350-F395 AromaticContact CD2-CD2 3.63Å; Y350-F395 HydrophobicContact CD2-CD2 3.63Å; Y350-F395 HydrophobicContact CD2-CE2 4.13Å; Y350-F395 HydrophobicContact CE2-CD2 4.03Å; Y350-F395 HydrophobicContact CG-CD2 4.23Å; Y350-F395 HydrophobicContact CG-CE2 4.28Å; Y350-Y400 HydrophobicContact CD2-CD1 4.41Å; Y350-Y400 HydrophobicContact CD2-CD2 4.2Å; Y350-Y400 HydrophobicContact CD2-CE1 4.22Å; Y350-Y400 HydrophobicContact CD2-CE2 4.02Å; Y350-Y400 HydrophobicContact CD2-CG 4.4Å; Y350-P428 HydrophobicContact CE1-CG 4.39Å; Y350-P428 HydrophobicContact CE2-CB 3.9Å; Y350-P428 HydrophobicContact CE2-CG 4.23Å
351	P	95.8	Very high	94.4	Very high	7 Å²	7	36.8 Å²	36.8	5%	0.045	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-83	135.4	-173.2	33.3	-35.6	0	0	0	112.1	T184 T286 L343 V353	T184-P351 HydrophobicContact CG2-CB 3.94Å; T184-P351 HydrophobicContact CG2-CG 4.25Å; T184-P351 WeakPolarHBondContact OG1-CB 3.21Å; T286-P351 HydrophobicContact CG2-CG 3.75Å; L343-P351 HydrophobicContact CD2-CB 4.29Å; P351-V353 HydrophobicContact CB-CG2 4.37Å
352	R	94.5	Very high	94.4	Very high	74 Å²	74	36.1 Å²	36.1	28%	0.279	20%	0.196	S	C	.	.			trans	-112.8	61.5	177.6	-63.6	-165.7	-59.6	-174.5	-12.8	110.9	A354 E355 E356 E405	R352-A354 VanDerWaalsContact C-N 3.33Å; R352-A354 PolarHBondContact O-N 3.47Å; R352-E355 HydrophobicContact CB-CB 4.49Å; R352-E355 WeakPolarHBondContact CB-OE2 3.36Å; R352-E355 PolarHBondContact O-N 2.74Å; R352-E356 IonicContact CZ-OE1 3.72Å; R352-E356 IonicContact NE-OE1 3.91Å; R352-E356 IonicContact NH2-OE1 2.62Å; R352-E356 PolarHBondContact NH2-OE1 2.73Å; R352-E356 PolarHBondContact O-N 3.12Å; R352-E405 IonicContact CZ-OE1 3.72Å; R352-E405 VanDerWaalsContact NH1-CB 3.33Å; R352-E405 IonicContact NH2-OE1 3.59Å; R352-E405 PolarHBondContact NH2-OE1 3.17Å
353	V	93.8	Very high	94.2	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-65	-37.6	-170.4	172.8	0	0	0	0	111.6	T184 C186 F291 R341 L343 P351 E355 G357	T184-V353 HydrophobicContact CG2-CG2 3.39Å; C186-V353 VanDerWaalsContact SG-CG1 3.56Å; F291-V353 HydrophobicContact CD2-CG1 4.12Å; F291-V353 HydrophobicContact CE2-CG1 4.22Å; R341-V353 HydrophobicContact CB-CG1 4.06Å; R341-V353 HydrophobicContact CG-CG1 3.7Å; R341-V353 PolarHBondContact NE-O 3.21Å; R341-V353 PolarHBondContact NH2-O 3.22Å; L343-V353 HydrophobicContact CB-CG2 3.87Å; L343-V353 HydrophobicContact CD2-CG2 4.12Å; P351-V353 HydrophobicContact CB-CG2 4.37Å; V353-E355 VanDerWaalsContact C-N 3.3Å; V353-E355 PolarHBondContact O-N 3.14Å; V353-G357 WeakPolarHBondContact O-CA 3.16Å; V353-G357 PolarHBondContact O-N 3.38Å
354	A	90.3	Very high	94.2	Very high	18 Å²	18	36.4 Å²	36.4	15%	0.149	20%	0.199	C	C	.	.	H	α-helix	trans	-57.5	-42.8	177	0	0	0	0	0	112.4	V290 F291 R341 R352	V290-A354 HydrophobicContact CG2-CB 4.15Å; F291-A354 HydrophobicContact CE2-CB 4.38Å; R341-A354 PolarHBondContact NH2-O 3.26Å; R352-A354 VanDerWaalsContact C-N 3.33Å; R352-A354 PolarHBondContact O-N 3.47Å
355	E	90.8	Very high	94.1	Very high	100 Å²	100	38.9 Å²	38.9	47%	0.467	21%	0.211	S	C	.	.	H	α-helix	trans	-82.9	-43.6	-174.1	-62.1	70.7	-152	0	0	113.2	R289 R352 V353	R289-E355 IonicContact CZ-OE1 3.71Å; R289-E355 IonicContact NE-OE1 3.82Å; R289-E355 PolarHBondContact NE-OE1 3.03Å; R289-E355 IonicContact NH2-OE1 3.34Å; R289-E355 PolarHBondContact NH2-OE1 2.83Å; R352-E355 HydrophobicContact CB-CB 4.49Å; R352-E355 WeakPolarHBondContact CB-OE2 3.36Å; R352-E355 PolarHBondContact O-N 2.74Å; V353-E355 VanDerWaalsContact C-N 3.3Å; V353-E355 PolarHBondContact O-N 3.14Å
356	E	92.6	Very high	94.2	Very high	98 Å²	98	38.7 Å²	38.7	46%	0.458	21%	0.21	S	C	.	.	H	α-helix	trans	-115.7	-5.5	-167.7	-65.7	177.8	-175.4	0	0	114.1	L343 R352	L343-E356 HydrophobicContact CD1-CB 3.55Å; R352-E356 IonicContact CZ-OE1 3.72Å; R352-E356 IonicContact NE-OE1 3.91Å; R352-E356 IonicContact NH2-OE1 2.62Å; R352-E356 PolarHBondContact NH2-OE1 2.73Å; R352-E356 PolarHBondContact O-N 3.12Å
357	G	94.4	Very high	94.4	Very high	10 Å²	10	37.6 Å²	37.6	10%	0.103	20%	0.202	C	C	.	.			trans	-68	153	-177.2	0	0	0	0	0	113.9	R341 L342 V353	R341-G357 PolarHBondContact NH1-O 3.1Å; R341-G357 VanDerWaalsContact NH1-O 3.08Å; R341-G357 PolarHBondContact NH2-O 3.03Å; L342-G357 CarbonylContact O-C 3.57Å; L342-G357 WeakPolarHBondContact O-CA 3.42Å; V353-G357 WeakPolarHBondContact O-CA 3.16Å; V353-G357 PolarHBondContact O-N 3.38Å
358	V	95	Very high	94.7	Very high	36 Å²	36	36.1 Å²	36.1	22%	0.218	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	140.2	173.9	-59.1	0	0	0	0	110.3	R341 L342 L360 I506	R341-V358 CarbonylContact C-O 3.53Å; R341-V358 WeakPolarHBondContact CA-O 3.38Å; L342-V358 HydrophobicContact CB-CG2 4.37Å; L342-V358 PolarHBondContact N-O 2.95Å; L342-V358 WeakPolarHBondContact O-CG2 3.3Å; L342-V358 PolarHBondContact O-N 3.04Å; V358-L360 HydrophobicContact CG2-CD2 4.25Å; V358-I506 HydrophobicContact CB-CD1 3.84Å; V358-I506 HydrophobicContact CG1-CD1 3.87Å; V358-I506 HydrophobicContact CG2-CD1 3.84Å
359	N	95.2	Very high	95.1	Very high	81 Å²	81	41.6 Å²	41.6	43%	0.433	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	138.9	178.6	-65.3	-25.6	0	0	0	110.4	R341	R341-N359 PolarHBondContact NH1-OD1 3.24Å
360	L	96.6	Very high	95.2	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.026	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.4	-178.5	-52.8	178.6	0	0	0	110	G339 A340 L342 V358 T366 I368 L591 I593	G339-L360 VanDerWaalsContact CA-O 3.23Å; G339-L360 WeakPolarHBondContact CA-O 3.44Å; A340-L360 HydrophobicContact CB-CB 4.49Å; A340-L360 PolarHBondContact N-O 2.98Å; A340-L360 VanDerWaalsContact N-O 3.11Å; A340-L360 PolarHBondContact O-N 2.65Å; L342-L360 HydrophobicContact CB-CD1 3.73Å; L342-L360 HydrophobicContact CB-CG 4.37Å; L342-L360 HydrophobicContact CD1-CD1 3.94Å; L342-L360 HydrophobicContact CG-CD1 4.48Å; V358-L360 HydrophobicContact CG2-CD2 4.25Å; L360-T366 HydrophobicContact CD2-CG2 3.81Å; L360-I368 HydrophobicContact CD2-CD1 4.08Å; L360-L591 HydrophobicContact CB-CD2 3.46Å; L360-L591 VanDerWaalsContact CB-CD2 3.46Å; L360-L591 HydrophobicContact CD1-CD2 4.1Å; L360-L591 HydrophobicContact CG-CD2 4.45Å; L360-I593 HydrophobicContact CD1-CD1 3.45Å; L360-I593 VanDerWaalsContact CD1-CD1 3.45Å; L360-I593 HydrophobicContact CD1-CG1 3.89Å; L360-I593 HydrophobicContact CD1-CG2 4.23Å
361	M	94.5	Very high	95.1	Very high	124 Å²	124	41.3 Å²	41.3	61%	0.611	21%	0.207	S	C	*	.			trans	-85.2	136.5	-172.7	-168.3	176	77.7	0	0	111.8	T364 L591	M361-T364 HydrophobicContact CB-CG2 4.23Å; M361-T364 HydrophobicContact CE-CG2 3.29Å; M361-T364 PolarHBondContact O-OG1 2.93Å; M361-L591 WeakPolarHBondContact O-CD1 3.41Å
362	P	95.2	Very high	95.1	Very high	18 Å²	18	41.3 Å²	41.3	12%	0.117	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	154.9	169	24.7	-33.8	0	0	0	111.9	L316 T338 T364 E587	L316-P362 HydrophobicContact CD1-CB 3.76Å; L316-P362 HydrophobicContact CD1-CG 4.5Å; T338-P362 WeakPolarHBondContact O-CD 3.01Å; P362-T364 PolarHBondContact O-N 3.36Å; P362-E587 CarbonylContact C-O 3.37Å
363	G	94.1	Very high	95.2	Very high	9 Å²	9	39.8 Å²	39.8	9%	0.093	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	17	174.8	0	0	0	0	0	113.8	W511 E587 F590	G363-W511 CarbonylContact C-O 3.5Å; G363-W511 PolarHBondContact O-N 2.94Å; G363-W511 VanDerWaalsContact O-O 3.04Å; G363-E587 WeakPolarHBondContact CA-O 3.38Å; G363-E587 PolarHBondContact N-O 3.07Å; G363-F590 PolarHBondContact N-O 2.96Å
364	T	96.3	Very high	95.3	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.037	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	157.2	178	69.3	0	0	0	0	112.3	M361 P362 T366 A509 L591 S592	M361-T364 HydrophobicContact CB-CG2 4.23Å; M361-T364 HydrophobicContact CE-CG2 3.29Å; M361-T364 PolarHBondContact O-OG1 2.93Å; P362-T364 PolarHBondContact O-N 3.36Å; T364-T366 PolarHBondContact OG1-OG1 2.82Å; T364-A509 CarbonylContact C-O 3.15Å; T364-A509 WeakPolarHBondContact CA-O 3.44Å; T364-A509 WeakPolarHBondContact CB-O 3.03Å; T364-L591 WeakPolarHBondContact O-CD1 3.24Å; T364-L591 WeakPolarHBondContact OG1-CD1 3.38Å; T364-S592 PolarHBondContact O-N 3Å
365	M	96.9	Very high	95.5	Very high	69 Å²	69	42.4 Å²	42.4	34%	0.34	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	112.2	157.9	-174.7	-176.9	89.1	0	0	106.8	A508 A509 W511 S592 I594	M365-A508 WeakPolarHBondContact O-CA 3.21Å; M365-A509 PolarHBondContact N-O 2.82Å; M365-A509 PolarHBondContact O-N 2.87Å; M365-W511 HydrophobicContact CB-CB 3.64Å; M365-W511 HydrophobicContact CB-CG 3.95Å; M365-S592 CarbonylContact C-O 3.54Å; M365-S592 VanDerWaalsContact CA-O 3.27Å; M365-S592 WeakPolarHBondContact CA-O 3.5Å; M365-I594 HydrophobicContact CE-CD1 3.97Å; M365-I594 HydrophobicContact CG-CD1 4.13Å; M365-I594 HydrophobicContact CG-CG1 4.37Å; M365-I594 HydrophobicContact SD-CD1 3.64Å; M365-I594 HydrophobicContact SD-CG1 4.48Å
366	T	97.8	Very high	95.8	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	117.6	177.5	-57.1	0	0	0	0	109.8	L360 T364 I368 I506 T507 S592 I593 I594	L360-T366 HydrophobicContact CD2-CG2 3.81Å; T364-T366 PolarHBondContact OG1-OG1 2.82Å; T366-I368 HydrophobicContact CG2-CG1 3.93Å; T366-I506 HydrophobicContact CG2-CG2 3.52Å; T366-T507 CarbonylContact C-O 3.24Å; T366-T507 WeakPolarHBondContact CA-O 3.35Å; T366-S592 PolarHBondContact N-O 2.87Å; T366-I593 WeakPolarHBondContact O-CA 3.46Å; T366-I594 PolarHBondContact O-N 3.45Å
367	D	97.3	Very high	95.9	Very high	25 Å²	25	35.8 Å²	35.8	13%	0.134	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	114.8	170.2	-176.8	17.6	0	0	0	109.3	R369 T507 I594 S596	D367-R369 IonicContact OD2-CZ 2.64Å; D367-R369 IonicContact OD2-NE 2.66Å; D367-R369 PolarHBondContact OD2-NE 3.28Å; D367-R369 VanDerWaalsContact OD2-NE 3.14Å; D367-R369 IonicContact OD2-NH2 3.89Å; D367-T507 PolarHBondContact N-O 2.89Å; D367-T507 PolarHBondContact O-N 3.15Å; D367-T507 PolarHBondContact O-OG1 3.32Å; D367-I594 CarbonylContact C-O 3.59Å; D367-I594 WeakPolarHBondContact CA-O 3.48Å; D367-S596 PolarHBondContact OD1-OG 3.28Å
368	I	97.9	Very high	95.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	99.1	178.4	-52.6	178.6	0	0	0	107.6	L342 L344 L360 T366 P504 I506 I593 I594 I595 S596	L342-I368 HydrophobicContact CD1-CD1 4.11Å; L342-I368 HydrophobicContact CD2-CD1 3.9Å; L344-I368 HydrophobicContact CD1-CG2 3.98Å; L360-I368 HydrophobicContact CD2-CD1 4.08Å; T366-I368 HydrophobicContact CG2-CG1 3.93Å; I368-P504 HydrophobicContact CG2-CB 3.78Å; I368-I506 HydrophobicContact CG1-CG1 4.43Å; I368-I506 HydrophobicContact CG2-CG1 4.4Å; I368-I593 HydrophobicContact CD1-CG2 4.02Å; I368-I594 PolarHBondContact N-O 3.21Å; I368-I595 HydrophobicContact CB-CG1 4.44Å; I368-I595 CarbonylContact O-C 3.58Å; I368-I595 WeakPolarHBondContact O-CA 3.14Å; I368-S596 PolarHBondContact O-N 3.39Å
369	R	97.4	Very high	95.9	Very high	131 Å²	131	39.3 Å²	39.3	49%	0.494	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	141.4	171.5	-73.8	169.8	178.1	-177.6	-4.7	109.4	D367 P504 S505 S596	D367-R369 IonicContact OD2-CZ 2.64Å; D367-R369 IonicContact OD2-NE 2.66Å; D367-R369 PolarHBondContact OD2-NE 3.28Å; D367-R369 VanDerWaalsContact OD2-NE 3.14Å; D367-R369 IonicContact OD2-NH2 3.89Å; R369-P504 CarbonylContact O-C 3.52Å; R369-P504 WeakPolarHBondContact O-CA 3.07Å; R369-S505 PolarHBondContact N-O 3.02Å; R369-S505 PolarHBondContact O-N 3.48Å; R369-S596 WeakPolarHBondContact CA-O 3.5Å; R369-S596 WeakPolarHBondContact CG-OG 3.31Å
370	F	96.3	Very high	95.8	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.018	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.9	176.6	66.2	-92.8	0	0	0	113.4	F180 P181 L344 V372 Y502 K503 I595 S596 R597 P598	F180-F370 HydrophobicContact CD2-CE1 4.12Å; F180-F370 AromaticContact CD2-CZ 3.72Å; F180-F370 HydrophobicContact CD2-CZ 3.72Å; F180-F370 AromaticContact CE2-CE1 3.57Å; F180-F370 HydrophobicContact CE2-CE1 3.57Å; F180-F370 AromaticContact CE2-CZ 3.65Å; F180-F370 HydrophobicContact CE2-CZ 3.65Å; F180-F370 HydrophobicContact CG-CZ 4.43Å; F180-F370 AromaticContact CZ-CE1 3.88Å; F180-F370 HydrophobicContact CZ-CE1 3.88Å; F180-F370 HydrophobicContact CZ-CZ 4.3Å; P181-F370 VanDerWaalsContact CD-CZ 3.5Å; P181-F370 HydrophobicContact CG-CD1 4.44Å; P181-F370 HydrophobicContact CG-CE1 4.17Å; P181-F370 HydrophobicContact CG-CE2 4.35Å; P181-F370 HydrophobicContact CG-CZ 4.11Å; L344-F370 HydrophobicContact CD1-CB 4Å; L344-F370 HydrophobicContact CD1-CD1 4.33Å; L344-F370 HydrophobicContact CD1-CG 4.41Å; F370-V372 HydrophobicContact CD2-CG2 4.01Å; F370-V372 HydrophobicContact CE2-CG2 3.83Å; F370-Y502 AromaticContact CD2-CD1 3.78Å; F370-Y502 HydrophobicContact CD2-CD1 3.78Å; F370-Y502 AromaticContact CE2-CD1 3.99Å; F370-Y502 HydrophobicContact CE2-CD1 3.99Å; F370-Y502 HydrophobicContact CE2-CE1 4.36Å; F370-K503 VanDerWaalsContact CA-O 3.29Å; F370-K503 WeakPolarHBondContact CA-O 3.38Å; F370-I595 HydrophobicContact CD1-CG2 3.9Å; F370-I595 HydrophobicContact CE1-CG2 4Å; F370-S596 WeakPolarHBondContact CD1-O 3.36Å; F370-S596 PolarHBondContact N-O 3.27Å; F370-R597 HydrophobicContact CE1-CB 4.11Å; F370-R597 HydrophobicContact CE2-CB 4.32Å; F370-R597 HydrophobicContact CE2-CG 4.47Å; F370-R597 HydrophobicContact CZ-CB 3.72Å; F370-R597 HydrophobicContact CZ-CG 4.32Å; F370-P598 VanDerWaalsContact O-CD 3.26Å; F370-P598 WeakPolarHBondContact O-CD 3.27Å
371	T	95.2	Very high	95.6	Very high	48 Å²	48	42.1 Å²	42.1	29%	0.294	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	134.7	167.6	-58.9	0	0	0	0	109.2	Y373 K503 E603	T371-Y373 HydrophobicContact CG2-CD2 4.36Å; T371-Y373 HydrophobicContact CG2-CE2 3.9Å; T371-K503 PolarHBondContact N-O 3.03Å; T371-K503 PolarHBondContact O-N 3.3Å; T371-E603 HydrophobicContact CG2-CG 4.03Å
372	V	95.7	Very high	95.5	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.042	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	125.4	176.8	-171.4	0	0	0	0	109.3	R178 F370 Y500 Y502 L602 E603	R178-V372 HydrophobicContact CB-CG1 3.91Å; R178-V372 HydrophobicContact CG-CG1 4.19Å; F370-V372 HydrophobicContact CD2-CG2 4.01Å; F370-V372 HydrophobicContact CE2-CG2 3.83Å; V372-Y500 HydrophobicContact CG1-CD1 4.2Å; V372-Y502 HydrophobicContact CG1-CE1 4.15Å; V372-Y502 HydrophobicContact CG2-CD1 3.97Å; V372-Y502 HydrophobicContact CG2-CE1 3.89Å; V372-L602 HydrophobicContact CB-CD1 3.99Å; V372-L602 HydrophobicContact CG1-CD1 3.7Å; V372-E603 PolarHBondContact O-N 3.26Å
373	Y	95.6	Very high	95.3	Very high	42 Å²	42	38.6 Å²	38.6	17%	0.165	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133	169.9	-73.7	-97	0	0	0	109.7	T371 Y500 T501 K503 E603 V605	T371-Y373 HydrophobicContact CG2-CD2 4.36Å; T371-Y373 HydrophobicContact CG2-CE2 3.9Å; Y373-Y500 CarbonylContact O-C 3.44Å; Y373-Y500 VanDerWaalsContact O-CA 3.26Å; Y373-Y500 WeakPolarHBondContact O-CA 3.47Å; Y373-T501 WeakPolarHBondContact CB-OG1 3.48Å; Y373-T501 PolarHBondContact N-O 3.43Å; Y373-T501 PolarHBondContact O-N 2.98Å; Y373-K503 HydrophobicContact CD2-CB 4.08Å; Y373-K503 HydrophobicContact CE2-CB 3.69Å; Y373-K503 HydrophobicContact CE2-CD 3.98Å; Y373-K503 HydrophobicContact CE2-CG 4.49Å; Y373-E603 CarbonylContact C-O 3.58Å; Y373-E603 VanDerWaalsContact CA-O 3.25Å; Y373-E603 WeakPolarHBondContact CA-O 3.49Å; Y373-E603 HydrophobicContact CD1-CB 3.73Å; Y373-E603 HydrophobicContact CE1-CB 3.7Å; Y373-E603 HydrophobicContact CE1-CG 4.37Å; Y373-E603 WeakPolarHBondContact CE1-OE2 3.15Å; Y373-E603 HydrophobicContact CG-CB 4.29Å; Y373-E603 PolarHBondContact OH-OE2 3.07Å; Y373-V605 HydrophobicContact CD1-CG2 4.12Å
374	E	96.2	Very high	95.2	Very high	9 Å²	9	44.7 Å²	44.7	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	115.4	168.2	178.2	-179.9	97.8	0	0	108.9	R178 V498 Y500 L602 E603 R604 V605	R178-E374 IonicContact CZ-OE2 2.67Å; R178-E374 IonicContact NE-OE2 3.14Å; R178-E374 PolarHBondContact NE-OE2 3.3Å; R178-E374 VanDerWaalsContact NE-OE2 3.12Å; R178-E374 IonicContact NH2-OE1 3.72Å; R178-E374 IonicContact NH2-OE2 2.72Å; R178-E374 PolarHBondContact NH2-OE2 3.45Å; E374-V498 HydrophobicContact CG-CG1 3.99Å; E374-Y500 HydrophobicContact CB-CD1 4.07Å; E374-Y500 HydrophobicContact CB-CE1 3.96Å; E374-Y500 HydrophobicContact CG-CD1 4.34Å; E374-Y500 HydrophobicContact CG-CE1 3.89Å; E374-Y500 WeakPolarHBondContact OE2-CE1 3.42Å; E374-Y500 PolarHBondContact OE2-OH 2.8Å; E374-L602 HydrophobicContact CB-CD1 3.86Å; E374-L602 HydrophobicContact CB-CD2 4.1Å; E374-L602 HydrophobicContact CB-CG 4.2Å; E374-E603 PolarHBondContact N-O 3.08Å; E374-R604 CarbonylContact O-C 3.59Å; E374-R604 WeakPolarHBondContact O-CA 3.49Å; E374-R604 IonicContact OE1-CZ 3.56Å; E374-R604 IonicContact OE1-NE 3.19Å; E374-R604 PolarHBondContact OE1-NE 3.15Å; E374-R604 IonicContact OE1-NH2 3.12Å; E374-R604 PolarHBondContact OE1-NH2 3.2Å; E374-R604 IonicContact OE2-NH2 3.97Å; E374-V605 PolarHBondContact O-N 2.91Å
375	W	95.3	Very high	95.1	Very high	66 Å²	66	44.4 Å²	44.4	25%	0.25	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	121.4	174.4	-60.7	88.3	0	0	0	108.6	V498 R499 T501 V605	W375-V498 WeakPolarHBondContact O-CA 2.98Å; W375-R499 HydrophobicContact CB-CG 3.74Å; W375-R499 HydrophobicContact CG-CG 4.27Å; W375-R499 PolarHBondContact N-O 3.11Å; W375-R499 PolarHBondContact O-N 2.75Å; W375-T501 PolarHBondContact NE1-OG1 3.24Å; W375-V605 HydrophobicContact CD2-CB 4.36Å; W375-V605 HydrophobicContact CE3-CB 3.83Å; W375-V605 HydrophobicContact CE3-CG1 3.84Å; W375-V605 HydrophobicContact CE3-CG2 4.48Å; W375-V605 HydrophobicContact CH2-CG1 4.4Å; W375-V605 HydrophobicContact CH2-CG2 4.45Å; W375-V605 HydrophobicContact CZ3-CB 3.95Å; W375-V605 HydrophobicContact CZ3-CG1 3.61Å; W375-V605 HydrophobicContact CZ3-CG2 4.32Å
376	S	95.9	Very high	95	Very high	36 Å²	36	42.2 Å²	42.2	25%	0.252	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	99.5	172.5	178.4	0	0	0	0	108.5	C497 V605 E607	S376-C497 CarbonylContact C-O 3.52Å; S376-C497 WeakPolarHBondContact CA-O 3.48Å; S376-V605 PolarHBondContact N-O 3.49Å; S376-E607 WeakPolarHBondContact O-CB 3.22Å; S376-E607 PolarHBondContact O-N 3.4Å
377	M	95	Very high	94.7	Very high	22 Å²	22	49 Å²	49	11%	0.108	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-95.5	159	-174.9	-61.1	177.7	71	0	0	112.1	R384 C385 P495 C497 E607	M377-R384 HydrophobicContact CE-CG 4.14Å; M377-C385 HydrophobicContact CB-CB 3.9Å; M377-C385 PolarHBondContact O-SG 3.28Å; M377-P495 HydrophobicContact CE-CG 4.28Å; M377-P495 HydrophobicContact SD-CG 4.29Å; M377-C497 PolarHBondContact N-O 3.19Å; M377-E607 WeakPolarHBondContact CA-OE2 3.49Å; M377-E607 WeakPolarHBondContact CB-OE2 3.48Å
378	M	95.1	Very high	94.5	Very high	49 Å²	49	55 Å²	55	24%	0.241	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-94.2	148.6	177	-66.4	-174.9	73.9	0	0	112.8	V166 H382 G383 R384 C385 E607 A609	V166-M378 HydrophobicContact CG1-SD 4.46Å; V166-M378 HydrophobicContact CG2-SD 4.05Å; M378-H382 HydrophobicContact CB-CB 3.97Å; M378-H382 HydrophobicContact CE-CB 3.7Å; M378-H382 HydrophobicContact SD-CB 3.91Å; M378-G383 CarbonylContact O-C 3.57Å; M378-G383 VanDerWaalsContact O-C 3.23Å; M378-G383 WeakPolarHBondContact O-CA 3.33Å; M378-R384 PolarHBondContact O-N 3.43Å; M378-R384 VanDerWaalsContact O-N 3.16Å; M378-C385 PolarHBondContact O-N 3.07Å; M378-C385 PolarHBondContact O-SG 2.93Å; M378-E607 HydrophobicContact CG-CB 3.87Å; M378-E607 PolarHBondContact N-OE2 2.94Å; M378-E607 HydrophobicContact SD-CB 4.46Å; M378-A609 HydrophobicContact CE-CB 4.44Å
379	E	94.5	Very high	94.2	Very high	72 Å²	72	56.9 Å²	56.9	34%	0.336	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-75.1	159.9	170.7	-66.5	-178.5	114.4	0	0	109.8	H382 G383 C385 K387 C497	E379-H382 PolarHBondContact O-N 3.2Å; E379-G383 PolarHBondContact O-N 2.84Å; E379-G383 VanDerWaalsContact O-N 3.11Å; E379-C385 PolarHBondContact N-SG 3.13Å; E379-C385 VanDerWaalsContact N-SG 3.42Å; E379-K387 PolarHBondContact OE1-N 2.64Å; E379-K387 WeakPolarHBondContact OE2-CD 3.36Å; E379-K387 VanDerWaalsContact OE2-CE 3.26Å; E379-K387 WeakPolarHBondContact OE2-CE 3.31Å; E379-K387 IonicContact OE2-NZ 2.66Å; E379-K387 PolarHBondContact OE2-NZ 3.04Å; E379-C497 VanDerWaalsContact CG-SG 3.6Å
380	P	92.6	Very high	93.9	Very high	58 Å²	58	54.4 Å²	54.4	38%	0.377	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	144.3	171.2	-25.9	33.9	0	0	0	112.1	G383 C385	P380-G383 WeakPolarHBondContact CA-O 3.42Å; P380-G383 WeakPolarHBondContact CD-O 3.39Å; P380-G383 VanDerWaalsContact CG-O 3.26Å; P380-G383 WeakPolarHBondContact CG-O 2.98Å; P380-G383 VanDerWaalsContact N-O 3.16Å; P380-C385 WeakPolarHBondContact CD-O 3.46Å
381	P	93	Very high	93.7	Very high	86 Å²	86	61.4 Å²	61.4	56%	0.558	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.2	-10.9	11.3	33.6	-36.8	0	0	0	115.7	F164	F164-P381 HydrophobicContact CD1-CB 3.94Å; F164-P381 HydrophobicContact CD1-CG 3.62Å; F164-P381 HydrophobicContact CD2-CB 4.07Å; F164-P381 HydrophobicContact CE1-CB 4.05Å; F164-P381 HydrophobicContact CE1-CG 3.57Å; F164-P381 HydrophobicContact CE2-CB 4.18Å; F164-P381 HydrophobicContact CG-CB 3.95Å; F164-P381 HydrophobicContact CG-CG 4.17Å; F164-P381 HydrophobicContact CZ-CB 4.17Å; F164-P381 HydrophobicContact CZ-CG 4.07Å
382	H	92.1	Very high	93.6	Very high	46 Å²	46	65 Å²	65	21%	0.213	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-33.3	-176.4	-76	-67.1	0	0	0	114	F164 V166 M378 E379	F164-H382 AromaticContact CD1-CE1 3.78Å; F164-H382 PolarHBondContact O-ND1 2.99Å; V166-H382 HydrophobicContact CG2-CB 3.83Å; V166-H382 WeakPolarHBondContact CG2-O 3.49Å; M378-H382 HydrophobicContact CB-CB 3.97Å; M378-H382 HydrophobicContact CE-CB 3.7Å; M378-H382 HydrophobicContact SD-CB 3.91Å; E379-H382 PolarHBondContact O-N 3.2Å
383	G	91.5	Very high	93.6	Very high	22 Å²	22	65.3 Å²	65.3	23%	0.227	33%	0.331	C	S	.	.			trans	-139.1	-158.9	178.5	0	0	0	0	0	111.7	M378 E379 P380	M378-G383 CarbonylContact O-C 3.57Å; M378-G383 VanDerWaalsContact O-C 3.23Å; M378-G383 WeakPolarHBondContact O-CA 3.33Å; E379-G383 PolarHBondContact O-N 2.84Å; E379-G383 VanDerWaalsContact O-N 3.11Å; P380-G383 WeakPolarHBondContact CA-O 3.42Å; P380-G383 WeakPolarHBondContact CD-O 3.39Å; P380-G383 VanDerWaalsContact CG-O 3.26Å; P380-G383 WeakPolarHBondContact CG-O 2.98Å; P380-G383 VanDerWaalsContact N-O 3.16Å
384	R	91.9	Very high	93.6	Very high	138 Å²	138	65.1 Å²	65.1	52%	0.521	34%	0.336	S	S	.	.			trans	-125.8	2.7	-173.1	66.3	-171.9	-173.2	115.4	11.4	114.5	M377 M378 E404 R494 P495	M377-R384 HydrophobicContact CE-CG 4.14Å; M378-R384 PolarHBondContact O-N 3.43Å; M378-R384 VanDerWaalsContact O-N 3.16Å; R384-E404 IonicContact CZ-OE1 2.83Å; R384-E404 IonicContact CZ-OE2 3.29Å; R384-E404 IonicContact NH1-OE1 3.62Å; R384-E404 PolarHBondContact NH1-OE1 3.48Å; R384-E404 IonicContact NH1-OE2 2.73Å; R384-E404 IonicContact NH2-OE1 2.56Å; R384-E404 IonicContact NH2-OE2 2.69Å; R384-E404 PolarHBondContact NH2-OE2 3.19Å; R384-R494 WeakPolarHBondContact O-CD 3.48Å; R384-R494 WeakPolarHBondContact O-CG 3.36Å; R384-P495 HydrophobicContact CG-CG 4.37Å
385	C	94.1	Very high	93.6	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.334	C	S	.	.			trans	-75.6	169.2	-176.9	79.4	0	0	0	0	112.6	M377 M378 E379 P380 P495 C497	M377-C385 HydrophobicContact CB-CB 3.9Å; M377-C385 PolarHBondContact O-SG 3.28Å; M378-C385 PolarHBondContact O-N 3.07Å; M378-C385 PolarHBondContact O-SG 2.93Å; E379-C385 PolarHBondContact N-SG 3.13Å; E379-C385 VanDerWaalsContact N-SG 3.42Å; P380-C385 WeakPolarHBondContact CD-O 3.46Å; C385-P495 CarbonylContact C-O 3.35Å; C385-P495 VanDerWaalsContact CA-O 3.28Å; C385-P495 WeakPolarHBondContact CA-O 3.28Å; C385-P495 HydrophobicContact CB-CG 4.49Å; C385-P495 WeakPolarHBondContact CB-O 3.49Å; C385-C497 VanDerWaalsContact CB-CA 3.49Å; C385-C497 HydrophobicContact CB-CB 3.82Å; C385-C497 WeakPolarHBondContact CB-SG 3.48Å; C385-C497 WeakPolarHBondContact SG-CA 3.37Å; C385-C497 WeakPolarHBondContact SG-CB 3.04Å; C385-C497 CovalentContact SG-SG 2.04Å; C385-C497 PolarHBondContact SG-SG 3.06Å
386	S	93.9	Very high	93.4	Very high	22 Å²	22	64.5 Å²	64.5	15%	0.154	34%	0.338	C	S	.	.	B	Isolated β-bridge	trans	-131.5	137.5	169.2	179.7	0	0	0	0	109.8	N388 P495 C497	S386-N388 VanDerWaalsContact C-N 3.29Å; S386-N388 PolarHBondContact OG-N 2.84Å; S386-N388 VanDerWaalsContact OG-N 3.09Å; S386-N388 PolarHBondContact OG-O 2.58Å; S386-P495 PolarHBondContact N-O 3.45Å; S386-C497 PolarHBondContact O-N 3.33Å
387	K	92.6	Very high	93.2	Very high	147 Å²	147	68.9 Å²	68.9	64%	0.639	36%	0.359	S	S	*	.	S	Bend	trans	-75.2	-23.6	167	-71	174.7	-176.8	135.9	0	112.6	E379 T389 C497	E379-K387 PolarHBondContact OE1-N 2.64Å; E379-K387 WeakPolarHBondContact OE2-CD 3.36Å; E379-K387 VanDerWaalsContact OE2-CE 3.26Å; E379-K387 WeakPolarHBondContact OE2-CE 3.31Å; E379-K387 IonicContact OE2-NZ 2.66Å; E379-K387 PolarHBondContact OE2-NZ 3.04Å; K387-T389 PolarHBondContact O-N 3.32Å; K387-C497 HydrophobicContact CG-CB 4.49Å
388	N	92.2	Very high	93.2	Very high	149 Å²	149	69.8 Å²	69.8	80%	0.797	37%	0.365	S	S	*	.			trans	-101.8	72.1	-178	-64	-21.3	0	0	0	109.5	S386	S386-N388 VanDerWaalsContact C-N 3.29Å; S386-N388 PolarHBondContact OG-N 2.84Å; S386-N388 VanDerWaalsContact OG-N 3.09Å; S386-N388 PolarHBondContact OG-O 2.58Å
389	T	91.3	Very high	93.2	Very high	40 Å²	40	72.6 Å²	72.6	25%	0.245	38%	0.381	C	S	.	.			trans	-101.7	147.5	170.6	56.4	0	0	0	0	110.4	K387 F402 A496	K387-T389 PolarHBondContact O-N 3.32Å; T389-F402 HydrophobicContact CG2-CD1 4.31Å; T389-F402 HydrophobicContact CG2-CE1 3.8Å; T389-F402 HydrophobicContact CG2-CZ 4.48Å; T389-A496 HydrophobicContact CG2-CB 4.3Å
390	P	93.1	Very high	93.2	Very high	79 Å²	79	69.7 Å²	69.7	51%	0.513	37%	0.367	S	S	.	.			trans	-53.5	147.2	167.3	-22.2	33.1	0	0	0	110.8	F402	P390-F402 HydrophobicContact CB-CD2 4.09Å; P390-F402 HydrophobicContact CG-CD2 4.16Å; P390-F402 HydrophobicContact CG-CE2 4.17Å; P390-F402 WeakPolarHBondContact O-CB 3.43Å; P390-F402 WeakPolarHBondContact O-CG 3.44Å
391	Q	90.8	Very high	93.3	Very high	152 Å²	152	69.2 Å²	69.2	71%	0.71	36%	0.363	S	S	*	.	S	Bend	trans	-76.6	-34.1	176.3	-69.6	-176.6	-11	0	0	111.9	F402	Q391-F402 PolarHBondContact O-N 3.27Å; Q391-F402 VanDerWaalsContact O-N 3.13Å
392	F	94.4	Very high	93.4	Very high	122 Å²	122	66.6 Å²	66.6	54%	0.535	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	157.9	-173.7	-54.3	-80.8	0	0	0	111.9	Y400	F392-Y400 CarbonylContact C-O 3.55Å; F392-Y400 WeakPolarHBondContact CA-O 3.5Å; F392-Y400 WeakPolarHBondContact CB-O 3.47Å
393	I	94.8	Very high	93.5	Very high	15 Å²	15	65.6 Å²	65.6	8%	0.077	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	137.5	171.1	-168	167.9	0	0	0	108.9	F395 Y400 A406 H410	I393-F395 HydrophobicContact CD1-CE2 4.24Å; I393-F395 HydrophobicContact CD1-CZ 3.82Å; I393-F395 HydrophobicContact CG1-CE2 4.3Å; I393-F395 HydrophobicContact CG1-CZ 4.1Å; I393-F395 HydrophobicContact CG2-CE2 4.32Å; I393-Y400 PolarHBondContact N-O 3.27Å; I393-Y400 PolarHBondContact O-N 3.22Å; I393-A406 HydrophobicContact CD1-CB 4.06Å; I393-A406 WeakPolarHBondContact CD1-O 3.49Å; I393-A406 HydrophobicContact CG2-CB 3.83Å; I393-H410 HydrophobicContact CD1-CB 3.75Å
394	S	95.6	Very high	93.5	Very high	38 Å²	38	66.4 Å²	66.4	27%	0.266	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.2	-168.7	-52.7	0	0	0	0	111.9	V398 N399 T431	S394-V398 CarbonylContact C-O 3.44Å; S394-V398 VanDerWaalsContact CA-O 3.28Å; S394-V398 WeakPolarHBondContact CA-O 3.35Å; S394-N399 WeakPolarHBondContact CB-OD1 3.19Å; S394-N399 PolarHBondContact OG-OD1 3.24Å; S394-T431 WeakPolarHBondContact CB-OG1 3.19Å; S394-T431 PolarHBondContact O-N 3.32Å; S394-T431 PolarHBondContact O-OG1 3.24Å
395	F	95.2	Very high	93.5	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	138.1	174.5	-60.9	-58	0	0	0	110.6	Y350 I393 N397 V398 Y400 A406 H410 P428 I429 P430	Y350-F395 AromaticContact CD2-CD2 3.63Å; Y350-F395 HydrophobicContact CD2-CD2 3.63Å; Y350-F395 HydrophobicContact CD2-CE2 4.13Å; Y350-F395 HydrophobicContact CE2-CD2 4.03Å; Y350-F395 HydrophobicContact CG-CD2 4.23Å; Y350-F395 HydrophobicContact CG-CE2 4.28Å; I393-F395 HydrophobicContact CD1-CE2 4.24Å; I393-F395 HydrophobicContact CD1-CZ 3.82Å; I393-F395 HydrophobicContact CG1-CE2 4.3Å; I393-F395 HydrophobicContact CG1-CZ 4.1Å; I393-F395 HydrophobicContact CG2-CE2 4.32Å; F395-N397 PolarHBondContact O-N 2.89Å; F395-N397 VanDerWaalsContact O-N 3.16Å; F395-V398 PolarHBondContact N-O 2.63Å; F395-V398 WeakPolarHBondContact O-CA 3.5Å; F395-V398 WeakPolarHBondContact O-CB 3.37Å; F395-V398 PolarHBondContact O-N 3.17Å; F395-Y400 HydrophobicContact CB-CD2 4.37Å; F395-Y400 HydrophobicContact CB-CE2 3.97Å; F395-Y400 AromaticContact CD2-CD2 4Å; F395-Y400 HydrophobicContact CD2-CD2 4Å; F395-Y400 HydrophobicContact CD2-CE2 4.25Å; F395-A406 HydrophobicContact CE2-CB 3.99Å; F395-A406 HydrophobicContact CZ-CB 4.46Å; F395-A406 WeakPolarHBondContact CZ-O 2.94Å; F395-H410 HydrophobicContact CE1-CB 3.78Å; F395-H410 AromaticContact CE1-CD2 3.98Å; F395-H410 HydrophobicContact CZ-CB 3.85Å; F395-P428 HydrophobicContact CB-CB 3.92Å; F395-P428 HydrophobicContact CD1-CB 3.73Å; F395-P428 HydrophobicContact CD1-CG 3.97Å; F395-P428 HydrophobicContact CD2-CB 3.99Å; F395-P428 HydrophobicContact CD2-CG 4.08Å; F395-P428 HydrophobicContact CE1-CB 4.16Å; F395-P428 HydrophobicContact CE1-CG 3.86Å; F395-P428 HydrophobicContact CE2-CB 4.37Å; F395-P428 HydrophobicContact CE2-CG 3.96Å; F395-P428 HydrophobicContact CG-CB 3.63Å; F395-P428 HydrophobicContact CG-CG 4.08Å; F395-P428 HydrophobicContact CZ-CB 4.45Å; F395-P428 HydrophobicContact CZ-CG 3.84Å; F395-I429 VanDerWaalsContact CA-O 3.32Å; F395-I429 WeakPolarHBondContact CA-O 3.27Å; F395-P430 HydrophobicContact CE1-CG 4.39Å
396	N	91.8	Very high	93.5	Very high	62 Å²	62	63.6 Å²	63.6	33%	0.332	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	40.9	174.8	-59.5	-26.6	0	0	0	113.5	V398 I429	N396-V398 PolarHBondContact O-N 3.26Å; N396-I429 PolarHBondContact N-O 3.44Å; N396-I429 WeakPolarHBondContact OD1-CB 3.34Å
397	N	92.9	Very high	93.6	Very high	127 Å²	127	63.4 Å²	63.4	68%	0.679	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	16	-174.7	-61.1	-42.7	0	0	0	115.9	F395 T431 L434	F395-N397 PolarHBondContact O-N 2.89Å; F395-N397 VanDerWaalsContact O-N 3.16Å; N397-T431 PolarHBondContact N-OG1 3.21Å; N397-T431 VanDerWaalsContact N-OG1 3.08Å; N397-T431 WeakPolarHBondContact OD1-CG2 3.05Å; N397-L434 WeakPolarHBondContact OD1-CD1 3.38Å
398	V	93.4	Very high	93.6	Very high	41 Å²	41	59.5 Å²	59.5	25%	0.248	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.5	176.5	-178.1	0	0	0	0	109.9	T284 S394 F395 N396 Y400	T284-V398 HydrophobicContact CG2-CG1 3.61Å; T284-V398 HydrophobicContact CG2-CG2 4.49Å; S394-V398 CarbonylContact C-O 3.44Å; S394-V398 VanDerWaalsContact CA-O 3.28Å; S394-V398 WeakPolarHBondContact CA-O 3.35Å; F395-V398 PolarHBondContact N-O 2.63Å; F395-V398 WeakPolarHBondContact O-CA 3.5Å; F395-V398 WeakPolarHBondContact O-CB 3.37Å; F395-V398 PolarHBondContact O-N 3.17Å; N396-V398 PolarHBondContact O-N 3.26Å; V398-Y400 HydrophobicContact CB-CE2 3.64Å; V398-Y400 HydrophobicContact CG1-CD2 4.31Å; V398-Y400 HydrophobicContact CG1-CE1 3.94Å; V398-Y400 HydrophobicContact CG1-CE2 3.65Å; V398-Y400 VanDerWaalsContact CG1-CZ 3.43Å; V398-Y400 WeakPolarHBondContact CG1-OH 3.32Å; V398-Y400 WeakPolarHBondContact O-CD2 2.87Å; V398-Y400 WeakPolarHBondContact O-CE2 3.47Å
399	N	94.8	Very high	93.7	Very high	108 Å²	108	53.1 Å²	53.1	58%	0.578	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.5	120.3	175.8	-66.6	-18.7	0	0	0	110.2	S394	S394-N399 WeakPolarHBondContact CB-OD1 3.19Å; S394-N399 PolarHBondContact OG-OD1 3.24Å
400	Y	95.4	Very high	93.8	Very high	12 Å²	12	52.8 Å²	52.8	5%	0.047	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	153.5	174.6	-58.6	-86	0	0	0	110	T284 T286 A348 Y350 F392 I393 F395 V398	T284-Y400 HydrophobicContact CG2-CE1 4.39Å; T286-Y400 HydrophobicContact CG2-CE1 4.04Å; T286-Y400 VanDerWaalsContact CG2-OH 3.27Å; T286-Y400 WeakPolarHBondContact CG2-OH 3.14Å; A348-Y400 CarbonylContact O-C 3.23Å; A348-Y400 WeakPolarHBondContact O-CA 3.23Å; A348-Y400 WeakPolarHBondContact O-CB 3.43Å; Y350-Y400 HydrophobicContact CD2-CD1 4.41Å; Y350-Y400 HydrophobicContact CD2-CD2 4.2Å; Y350-Y400 HydrophobicContact CD2-CE1 4.22Å; Y350-Y400 HydrophobicContact CD2-CE2 4.02Å; Y350-Y400 HydrophobicContact CD2-CG 4.4Å; F392-Y400 CarbonylContact C-O 3.55Å; F392-Y400 WeakPolarHBondContact CA-O 3.5Å; F392-Y400 WeakPolarHBondContact CB-O 3.47Å; I393-Y400 PolarHBondContact N-O 3.27Å; I393-Y400 PolarHBondContact O-N 3.22Å; F395-Y400 HydrophobicContact CB-CD2 4.37Å; F395-Y400 HydrophobicContact CB-CE2 3.97Å; F395-Y400 AromaticContact CD2-CD2 4Å; F395-Y400 HydrophobicContact CD2-CD2 4Å; F395-Y400 HydrophobicContact CD2-CE2 4.25Å; V398-Y400 HydrophobicContact CB-CE2 3.64Å; V398-Y400 HydrophobicContact CG1-CD2 4.31Å; V398-Y400 HydrophobicContact CG1-CE1 3.94Å; V398-Y400 HydrophobicContact CG1-CE2 3.65Å; V398-Y400 VanDerWaalsContact CG1-CZ 3.43Å; V398-Y400 WeakPolarHBondContact CG1-OH 3.32Å; V398-Y400 WeakPolarHBondContact O-CD2 2.87Å; V398-Y400 WeakPolarHBondContact O-CE2 3.47Å
401	T	94.7	Very high	93.9	Very high	48 Å²	48	52 Å²	52	29%	0.294	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	137.7	166.9	-64.3	0	0	0	0	109.9	G347 A348	G347-T401 WeakPolarHBondContact O-CB 3.38Å; G347-T401 PolarHBondContact O-OG1 3.49Å; G347-T401 VanDerWaalsContact O-OG1 3.07Å; A348-T401 PolarHBondContact O-N 3.26Å
402	F	95	Very high	94.1	Very high	31 Å²	31	45.5 Å²	45.5	14%	0.136	24%	0.239	C	C	.	.			trans	-58.5	139.6	-178.4	179.1	-92	0	0	0	112.3	T389 P390 Q391 C407 R494	T389-F402 HydrophobicContact CG2-CD1 4.31Å; T389-F402 HydrophobicContact CG2-CE1 3.8Å; T389-F402 HydrophobicContact CG2-CZ 4.48Å; P390-F402 HydrophobicContact CB-CD2 4.09Å; P390-F402 HydrophobicContact CG-CD2 4.16Å; P390-F402 HydrophobicContact CG-CE2 4.17Å; P390-F402 WeakPolarHBondContact O-CB 3.43Å; P390-F402 WeakPolarHBondContact O-CG 3.44Å; Q391-F402 PolarHBondContact O-N 3.27Å; Q391-F402 VanDerWaalsContact O-N 3.13Å; F402-C407 HydrophobicContact CE2-CB 3.61Å; F402-C407 HydrophobicContact CZ-CB 3.84Å; F402-R494 WeakPolarHBondContact CE1-O 3.31Å
403	S	93.8	Very high	94.1	Very high	25 Å²	25	39.7 Å²	39.7	18%	0.175	21%	0.214	C	C	.	.			trans	-142.9	157	168.5	53.8	0	0	0	0	108.9	E405 A406 C407	S403-E405 PolarHBondContact O-N 3.32Å; S403-A406 PolarHBondContact O-N 2.95Å; S403-A406 WeakPolarHBondContact OG-CB 3.48Å; S403-A406 PolarHBondContact OG-N 3.19Å; S403-C407 WeakPolarHBondContact O-CB 3.33Å; S403-C407 PolarHBondContact O-N 2.99Å
404	E	92.1	Very high	94.1	Very high	39 Å²	39	42.4 Å²	42.4	18%	0.182	23%	0.226	C	C	.	.	H	α-helix	trans	-58.1	-38.9	178.1	-178	-179	-177	0	0	110.4	R384 C407 H408 P495	R384-E404 IonicContact CZ-OE1 2.83Å; R384-E404 IonicContact CZ-OE2 3.29Å; R384-E404 IonicContact NH1-OE1 3.62Å; R384-E404 PolarHBondContact NH1-OE1 3.48Å; R384-E404 IonicContact NH1-OE2 2.73Å; R384-E404 IonicContact NH2-OE1 2.56Å; R384-E404 IonicContact NH2-OE2 2.69Å; R384-E404 PolarHBondContact NH2-OE2 3.19Å; E404-C407 WeakPolarHBondContact O-CB 3.45Å; E404-C407 PolarHBondContact O-N 3.17Å; E404-H408 PolarHBondContact O-N 3.46Å; E404-P495 HydrophobicContact CB-CB 4.3Å
405	E	92.1	Very high	94	Very high	76 Å²	76	45 Å²	45	36%	0.355	23%	0.232	S	C	.	.	H	α-helix	trans	-80.3	-34.4	-172.8	-54	100.2	144	0	0	112.2	R352 S403 C407 H408 A409	R352-E405 IonicContact CZ-OE1 3.72Å; R352-E405 VanDerWaalsContact NH1-CB 3.33Å; R352-E405 IonicContact NH2-OE1 3.59Å; R352-E405 PolarHBondContact NH2-OE1 3.17Å; S403-E405 PolarHBondContact O-N 3.32Å; E405-C407 VanDerWaalsContact C-N 3.34Å; E405-H408 PolarHBondContact O-N 3.22Å; E405-A409 PolarHBondContact O-N 3.13Å
406	A	94.6	Very high	94	Very high	3 Å²	3	45 Å²	45	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-42.2	167.4	0	0	0	0	0	111.1	I393 F395 S403 H408 A409 H410	I393-A406 HydrophobicContact CD1-CB 4.06Å; I393-A406 WeakPolarHBondContact CD1-O 3.49Å; I393-A406 HydrophobicContact CG2-CB 3.83Å; F395-A406 HydrophobicContact CE2-CB 3.99Å; F395-A406 HydrophobicContact CZ-CB 4.46Å; F395-A406 WeakPolarHBondContact CZ-O 2.94Å; S403-A406 PolarHBondContact O-N 2.95Å; S403-A406 WeakPolarHBondContact OG-CB 3.48Å; S403-A406 PolarHBondContact OG-N 3.19Å; A406-H408 VanDerWaalsContact C-N 3.32Å; A406-H408 PolarHBondContact O-N 3.03Å; A406-A409 PolarHBondContact O-N 3.23Å; A406-H410 WeakPolarHBondContact O-CB 3.43Å; A406-H410 PolarHBondContact O-N 3.44Å
407	C	94.8	Very high	94.2	Very high	18 Å²	18	42.3 Å²	42.3	12%	0.122	22%	0.219	C	C	.	.	H	α-helix	trans	-58.9	-45.4	174.9	-179.9	0	0	0	0	111.2	F402 S403 E404 E405 A409 H410 M411 C493	F402-C407 HydrophobicContact CE2-CB 3.61Å; F402-C407 HydrophobicContact CZ-CB 3.84Å; S403-C407 WeakPolarHBondContact O-CB 3.33Å; S403-C407 PolarHBondContact O-N 2.99Å; E404-C407 WeakPolarHBondContact O-CB 3.45Å; E404-C407 PolarHBondContact O-N 3.17Å; E405-C407 VanDerWaalsContact C-N 3.34Å; C407-A409 PolarHBondContact O-N 3.13Å; C407-H410 WeakPolarHBondContact O-CB 3.15Å; C407-H410 PolarHBondContact O-N 3.26Å; C407-M411 VanDerWaalsContact O-CG 3.27Å; C407-M411 WeakPolarHBondContact O-CG 3.4Å; C407-M411 PolarHBondContact O-N 3.31Å; C407-C493 HydrophobicContact CB-CB 3.75Å; C407-C493 WeakPolarHBondContact CB-SG 3.46Å; C407-C493 WeakPolarHBondContact SG-CB 3.45Å; C407-C493 CovalentContact SG-SG 2.04Å; C407-C493 PolarHBondContact SG-SG 3.3Å
408	H	93.4	Very high	94.3	Very high	65 Å²	65	39.2 Å²	39.2	30%	0.301	21%	0.208	S	C	.	.	H	α-helix	trans	-58.1	-49.6	176.8	-170.2	-76.4	0	0	0	111.7	E404 E405 A406 H410 M411 V412 I491 C493	E404-H408 PolarHBondContact O-N 3.46Å; E405-H408 PolarHBondContact O-N 3.22Å; A406-H408 VanDerWaalsContact C-N 3.32Å; A406-H408 PolarHBondContact O-N 3.03Å; H408-H410 VanDerWaalsContact C-N 3.33Å; H408-H410 PolarHBondContact O-N 2.87Å; H408-M411 PolarHBondContact O-N 3.3Å; H408-V412 VanDerWaalsContact O-CG2 3.31Å; H408-V412 WeakPolarHBondContact O-CG2 3.42Å; H408-V412 PolarHBondContact O-N 3.08Å; H408-I491 WeakPolarHBondContact CD2-CD1 3.28Å; H408-I491 WeakPolarHBondContact NE2-CD1 3.39Å; H408-C493 PolarHBondContact N-SG 3.01Å
409	A	93.4	Very high	94.4	Very high	15 Å²	15	41.3 Å²	41.3	12%	0.124	22%	0.217	C	C	.	.	H	α-helix	trans	-59.9	-41.4	177.8	0	0	0	0	0	112.6	E405 A406 C407 Q413 L427 P428	E405-A409 PolarHBondContact O-N 3.13Å; A406-A409 PolarHBondContact O-N 3.23Å; C407-A409 PolarHBondContact O-N 3.13Å; A409-Q413 WeakPolarHBondContact O-CB 3.03Å; A409-Q413 PolarHBondContact O-N 3.22Å; A409-Q413 VanDerWaalsContact O-N 3.09Å; A409-L427 HydrophobicContact CB-CD2 4.39Å; A409-P428 HydrophobicContact CB-CG 4.04Å
410	H	94.6	Very high	94.5	Very high	33 Å²	33	36.6 Å²	36.6	15%	0.153	19%	0.193	C	C	.	.	H	α-helix	trans	-60.3	-52	175.9	-179.5	-71.2	0	0	0	111.7	I393 F395 A406 C407 H408 V412 Q413 E414 H432	I393-H410 HydrophobicContact CD1-CB 3.75Å; F395-H410 HydrophobicContact CE1-CB 3.78Å; F395-H410 AromaticContact CE1-CD2 3.98Å; F395-H410 HydrophobicContact CZ-CB 3.85Å; A406-H410 WeakPolarHBondContact O-CB 3.43Å; A406-H410 PolarHBondContact O-N 3.44Å; C407-H410 WeakPolarHBondContact O-CB 3.15Å; C407-H410 PolarHBondContact O-N 3.26Å; H408-H410 VanDerWaalsContact C-N 3.33Å; H408-H410 PolarHBondContact O-N 2.87Å; H410-V412 PolarHBondContact O-N 3.11Å; H410-Q413 PolarHBondContact O-N 3.21Å; H410-E414 IonicContact CE1-OE2 3.55Å; H410-E414 PolarHBondContact CE1-OE2 3.36Å; H410-E414 IonicContact ND1-OE2 3.53Å; H410-E414 PolarHBondContact ND1-OE2 3.17Å; H410-E414 VanDerWaalsContact O-CB 3.31Å; H410-E414 WeakPolarHBondContact O-CB 3.03Å; H410-E414 PolarHBondContact O-N 2.81Å; H410-H432 AromaticContact NE2-CE1 3.97Å
411	M	94.6	Very high	94.5	Very high	63 Å²	63	41.7 Å²	41.7	31%	0.31	22%	0.217	S	C	.	.	H	α-helix	trans	-66.1	-39.7	-175.4	-67.8	-61.7	-66.6	0	0	112.2	C407 H408 E414 K415 M486 I491	C407-M411 VanDerWaalsContact O-CG 3.27Å; C407-M411 WeakPolarHBondContact O-CG 3.4Å; C407-M411 PolarHBondContact O-N 3.31Å; H408-M411 PolarHBondContact O-N 3.3Å; M411-E414 PolarHBondContact O-N 3.24Å; M411-K415 WeakPolarHBondContact O-CB 3.39Å; M411-K415 PolarHBondContact O-N 2.95Å; M411-M486 HydrophobicContact CB-CE 4.15Å; M411-I491 HydrophobicContact CB-CG2 3.41Å; M411-I491 VanDerWaalsContact CB-CG2 3.41Å; M411-I491 HydrophobicContact CG-CG2 3.55Å
412	V	93.8	Very high	94.5	Very high	14 Å²	14	39.4 Å²	39.4	9%	0.085	20%	0.203	C	C	.	.	H	α-helix	trans	-62.7	-47.2	174.8	174.3	0	0	0	0	110.5	H408 H410 E414 K415 V416 L427 M486 I491	H408-V412 VanDerWaalsContact O-CG2 3.31Å; H408-V412 WeakPolarHBondContact O-CG2 3.42Å; H408-V412 PolarHBondContact O-N 3.08Å; H410-V412 PolarHBondContact O-N 3.11Å; V412-E414 VanDerWaalsContact C-N 3.35Å; V412-E414 PolarHBondContact O-N 3.47Å; V412-K415 PolarHBondContact O-N 3.09Å; V412-V416 HydrophobicContact CG1-CG2 4.31Å; V412-V416 WeakPolarHBondContact O-CG2 3.35Å; V412-V416 PolarHBondContact O-N 2.99Å; V412-L427 HydrophobicContact CB-CD1 4.11Å; V412-L427 HydrophobicContact CG1-CD1 3.62Å; V412-M486 HydrophobicContact CB-SD 4.49Å; V412-M486 HydrophobicContact CG2-SD 4.13Å; V412-I491 HydrophobicContact CG2-CD1 4.39Å
413	Q	95	Very high	94.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-41.1	179	-172	70.7	-9.5	0	0	112.2	A409 H410 V416 A417 L423 T424 L427 P430	A409-Q413 WeakPolarHBondContact O-CB 3.03Å; A409-Q413 PolarHBondContact O-N 3.22Å; A409-Q413 VanDerWaalsContact O-N 3.09Å; H410-Q413 PolarHBondContact O-N 3.21Å; Q413-V416 PolarHBondContact O-N 2.81Å; Q413-A417 WeakPolarHBondContact O-CB 3.3Å; Q413-A417 PolarHBondContact O-N 2.83Å; Q413-L423 HydrophobicContact CG-CD2 4.23Å; Q413-T424 VanDerWaalsContact NE2-N 3.18Å; Q413-T424 PolarHBondContact NE2-O 2.82Å; Q413-T424 VanDerWaalsContact NE2-O 3.1Å; Q413-T424 VanDerWaalsContact OE1-CB 3.26Å; Q413-L427 HydrophobicContact CB-CB 4.39Å; Q413-L427 HydrophobicContact CB-CD1 4.29Å; Q413-P430 HydrophobicContact CB-CG 4.41Å; Q413-P430 HydrophobicContact CG-CG 4.41Å
414	E	94.4	Very high	94.4	Very high	73 Å²	73	37.4 Å²	37.4	34%	0.341	19%	0.192	S	C	.	.	H	α-helix	trans	-63.7	-42.2	177.5	-175.6	170.5	-164	0	0	111.6	H410 M411 V412 A417 S418	H410-E414 IonicContact CE1-OE2 3.55Å; H410-E414 PolarHBondContact CE1-OE2 3.36Å; H410-E414 IonicContact ND1-OE2 3.53Å; H410-E414 PolarHBondContact ND1-OE2 3.17Å; H410-E414 VanDerWaalsContact O-CB 3.31Å; H410-E414 WeakPolarHBondContact O-CB 3.03Å; H410-E414 PolarHBondContact O-N 2.81Å; M411-E414 PolarHBondContact O-N 3.24Å; V412-E414 VanDerWaalsContact C-N 3.35Å; V412-E414 PolarHBondContact O-N 3.47Å; E414-A417 PolarHBondContact O-N 2.87Å; E414-S418 PolarHBondContact O-N 2.82Å
415	K	94.5	Very high	94.2	Very high	91 Å²	91	37.2 Å²	37.2	40%	0.396	19%	0.191	S	C	.	.	H	α-helix	trans	-69.5	-38.8	178	-166.1	64.8	177.4	165.3	0	112.5	M411 V412 A417 S418 N419 T482 M486	M411-K415 WeakPolarHBondContact O-CB 3.39Å; M411-K415 PolarHBondContact O-N 2.95Å; V412-K415 PolarHBondContact O-N 3.09Å; K415-A417 VanDerWaalsContact C-N 3.33Å; K415-S418 PolarHBondContact O-N 2.94Å; K415-S418 PolarHBondContact O-OG 2.89Å; K415-N419 WeakPolarHBondContact CE-OD1 3.22Å; K415-N419 PolarHBondContact NZ-OD1 2.97Å; K415-N419 VanDerWaalsContact O-CB 3.3Å; K415-N419 WeakPolarHBondContact O-CB 3.23Å; K415-N419 PolarHBondContact O-N 2.98Å; K415-T482 HydrophobicContact CB-CG2 4.08Å; K415-T482 HydrophobicContact CG-CG2 3.6Å; K415-M486 HydrophobicContact CB-CE 3.98Å; K415-M486 HydrophobicContact CB-SD 3.45Å; K415-M486 WeakPolarHBondContact CB-SD 3.41Å; K415-M486 HydrophobicContact CG-CE 4.31Å; K415-M486 HydrophobicContact CG-SD 3.69Å
416	V	95.2	Very high	93.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.6	-43.8	172.7	175.6	0	0	0	0	109.9	V412 Q413 S418 N419 C420 C441 A479 T482	V412-V416 HydrophobicContact CG1-CG2 4.31Å; V412-V416 WeakPolarHBondContact O-CG2 3.35Å; V412-V416 PolarHBondContact O-N 2.99Å; Q413-V416 PolarHBondContact O-N 2.81Å; V416-S418 VanDerWaalsContact C-N 3.35Å; V416-S418 PolarHBondContact O-N 2.79Å; V416-N419 PolarHBondContact O-N 2.99Å; V416-C420 HydrophobicContact CG1-CB 4.24Å; V416-C420 WeakPolarHBondContact O-CA 3.49Å; V416-C420 VanDerWaalsContact O-CB 3.23Å; V416-C420 WeakPolarHBondContact O-CB 3.37Å; V416-C420 PolarHBondContact O-N 3.18Å; V416-C441 VanDerWaalsContact CG1-SG 3.57Å; V416-A479 HydrophobicContact CG1-CB 3.89Å; V416-T482 HydrophobicContact CG2-CG2 4.06Å
417	A	96.6	Very high	93.6	Very high	7 Å²	7	39.5 Å²	39.5	6%	0.058	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-42.8	176.1	0	0	0	0	0	112	Q413 E414 K415 Q421 C422 L423 L433 L438	Q413-A417 WeakPolarHBondContact O-CB 3.3Å; Q413-A417 PolarHBondContact O-N 2.83Å; E414-A417 PolarHBondContact O-N 2.87Å; K415-A417 VanDerWaalsContact C-N 3.33Å; A417-Q421 WeakPolarHBondContact O-CA 3.44Å; A417-Q421 PolarHBondContact O-N 2.81Å; A417-Q421 VanDerWaalsContact O-N 3.16Å; A417-C422 WeakPolarHBondContact CA-O 3.25Å; A417-L423 HydrophobicContact CB-CD2 4.06Å; A417-L433 HydrophobicContact CB-CD1 3.88Å; A417-L438 HydrophobicContact CB-CD1 4.01Å
418	S	95.1	Very high	93.6	Very high	62 Å²	62	39.1 Å²	39.1	43%	0.434	20%	0.199	S	C	.	.	H	α-helix	trans	-69.1	-46.4	179.3	74.8	0	0	0	0	112.8	E414 K415 V416 Q421	E414-S418 PolarHBondContact O-N 2.82Å; K415-S418 PolarHBondContact O-N 2.94Å; K415-S418 PolarHBondContact O-OG 2.89Å; V416-S418 VanDerWaalsContact C-N 3.35Å; V416-S418 PolarHBondContact O-N 2.79Å; S418-Q421 PolarHBondContact O-NE2 2.87Å
419	N	95.5	Very high	93.6	Very high	84 Å²	84	37.1 Å²	37.1	45%	0.449	19%	0.19	S	C	.	.	H	α-helix	trans	-81.3	-40.2	-172.4	-72.6	5.1	0	0	0	112.6	K415 V416 T482	K415-N419 WeakPolarHBondContact CE-OD1 3.22Å; K415-N419 PolarHBondContact NZ-OD1 2.97Å; K415-N419 VanDerWaalsContact O-CB 3.3Å; K415-N419 WeakPolarHBondContact O-CB 3.23Å; K415-N419 PolarHBondContact O-N 2.98Å; V416-N419 PolarHBondContact O-N 2.99Å; N419-T482 HydrophobicContact CB-CG2 4.45Å
420	C	95.6	Very high	93.8	Very high	9 Å²	9	36.4 Å²	36.4	6%	0.061	18%	0.184	C	C	.	.	H	α-helix	trans	-106.9	-8.7	-169.9	-52	0	0	0	0	113.5	V416 C422 F475 C478	V416-C420 HydrophobicContact CG1-CB 4.24Å; V416-C420 WeakPolarHBondContact O-CA 3.49Å; V416-C420 VanDerWaalsContact O-CB 3.23Å; V416-C420 WeakPolarHBondContact O-CB 3.37Å; V416-C420 PolarHBondContact O-N 3.18Å; C420-C422 VanDerWaalsContact CB-SG 3.54Å; C420-C422 PolarHBondContact O-N 2.88Å; C420-F475 WeakPolarHBondContact O-CE1 3.38Å; C420-C478 WeakPolarHBondContact CA-SG 3.1Å; C420-C478 HydrophobicContact CB-CB 3.83Å; C420-C478 WeakPolarHBondContact CB-SG 3.49Å; C420-C478 WeakPolarHBondContact SG-CB 3.48Å; C420-C478 PolarHBondContact SG-O 3.13Å; C420-C478 VanDerWaalsContact SG-O 3.35Å; C420-C478 CovalentContact SG-SG 2.03Å; C420-C478 PolarHBondContact SG-SG 3.1Å
421	Q	95.6	Very high	93.8	Very high	120 Å²	120	36.6 Å²	36.6	56%	0.561	19%	0.188	S	C	*	.	S	Bend	trans	53.9	36.4	-176.4	-58.5	-64.7	-45	0	0	112.3	A417 S418	A417-Q421 WeakPolarHBondContact O-CA 3.44Å; A417-Q421 PolarHBondContact O-N 2.81Å; A417-Q421 VanDerWaalsContact O-N 3.16Å; S418-Q421 PolarHBondContact O-NE2 2.87Å
422	C	95.5	Very high	93.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	163.7	178	67.8	0	0	0	0	110.5	A417 C420 R439 C441 F475	A417-C422 WeakPolarHBondContact CA-O 3.25Å; C420-C422 VanDerWaalsContact CB-SG 3.54Å; C420-C422 PolarHBondContact O-N 2.88Å; C422-R439 CarbonylContact C-O 3.57Å; C422-R439 WeakPolarHBondContact CA-O 3.36Å; C422-R439 HydrophobicContact CB-CG 3.93Å; C422-R439 WeakPolarHBondContact CB-O 3.4Å; C422-C441 HydrophobicContact CB-CB 3.97Å; C422-C441 WeakPolarHBondContact CB-SG 3.44Å; C422-C441 VanDerWaalsContact SG-CA 3.54Å; C422-C441 WeakPolarHBondContact SG-CB 3.42Å; C422-C441 CovalentContact SG-SG 2.03Å; C422-C441 PolarHBondContact SG-SG 3.37Å; C422-F475 HydrophobicContact CB-CD1 3.94Å; C422-F475 HydrophobicContact CB-CE1 4.41Å
423	L	94.7	Very high	93.9	Very high	10 Å²	10	37.7 Å²	37.7	5%	0.052	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.6	177.6	-66.7	174.3	0	0	0	110	Q413 A417 I429 L433 L438 R439 K440 C441	Q413-L423 HydrophobicContact CG-CD2 4.23Å; A417-L423 HydrophobicContact CB-CD2 4.06Å; L423-I429 HydrophobicContact CD1-CD1 4.35Å; L423-I429 HydrophobicContact CD1-CG2 4.1Å; L423-I429 HydrophobicContact CD2-CG2 4.5Å; L423-L433 HydrophobicContact CD2-CB 4.48Å; L423-L433 HydrophobicContact CD2-CD1 3.97Å; L423-L438 HydrophobicContact CD1-CB 3.96Å; L423-L438 HydrophobicContact CD1-CD1 4.45Å; L423-L438 HydrophobicContact CD2-CD1 3.94Å; L423-L438 HydrophobicContact CG-CB 3.82Å; L423-L438 HydrophobicContact CG-CD1 4Å; L423-R439 PolarHBondContact N-O 3.19Å; L423-K440 HydrophobicContact CB-CD 4.17Å; L423-K440 CarbonylContact O-C 3.54Å; L423-K440 VanDerWaalsContact O-CA 3.22Å; L423-K440 WeakPolarHBondContact O-CA 3.4Å; L423-C441 PolarHBondContact O-N 3.15Å
424	T	92.2	Very high	93.7	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.025	21%	0.207	C	C	.	.			trans	-69	139.5	172.9	-62.3	0	0	0	0	110	Q413 H426 L427	Q413-T424 VanDerWaalsContact NE2-N 3.18Å; Q413-T424 PolarHBondContact NE2-O 2.82Å; Q413-T424 VanDerWaalsContact NE2-O 3.1Å; Q413-T424 VanDerWaalsContact OE1-CB 3.26Å; T424-H426 WeakPolarHBondContact CG2-CE1 3.24Å; T424-H426 WeakPolarHBondContact CG2-ND1 3.26Å; T424-L427 HydrophobicContact CG2-CD1 4.29Å; T424-L427 HydrophobicContact CG2-CG 4.17Å
425	Q	87	Confident	93.3	Very high	35 Å²	35	40.6 Å²	40.6	16%	0.164	23%	0.226	C	C	.	.	S	Bend	trans	-78.3	-35.3	-171.8	-167.3	171.5	8.4	0	0	114.3	S236 T237 A240 L427	S236-Q425 VanDerWaalsContact C-CD 3.45Å; S236-Q425 PolarHBondContact O-NE2 2.66Å; S236-Q425 VanDerWaalsContact OG-CD 3.24Å; S236-Q425 VanDerWaalsContact OG-CG 3.31Å; S236-Q425 WeakPolarHBondContact OG-CG 3.33Å; T237-Q425 PolarHBondContact OG1-OE1 3.04Å; T237-Q425 VanDerWaalsContact OG1-OE1 3.1Å; A240-Q425 VanDerWaalsContact CB-NE2 3.26Å; Q425-L427 VanDerWaalsContact C-N 3.28Å; Q425-L427 PolarHBondContact O-N 3.26Å
426	H	84.3	Confident	93.2	Very high	95 Å²	95	42 Å²	42	44%	0.44	23%	0.232	S	C	.	.	S	Bend	trans	-81	-5.1	-178.2	65.1	-100.4	0	0	0	114.1	T424	T424-H426 WeakPolarHBondContact CG2-CE1 3.24Å; T424-H426 WeakPolarHBondContact CG2-ND1 3.26Å
427	L	90.6	Very high	92.9	Very high	32 Å²	32	49.6 Å²	49.6	17%	0.168	27%	0.273	C	S	.	.	S	Bend	trans	-103.5	144	179.2	-65.6	179.5	0	0	0	110.9	A409 V412 Q413 T424 Q425	A409-L427 HydrophobicContact CB-CD2 4.39Å; V412-L427 HydrophobicContact CB-CD1 4.11Å; V412-L427 HydrophobicContact CG1-CD1 3.62Å; Q413-L427 HydrophobicContact CB-CB 4.39Å; Q413-L427 HydrophobicContact CB-CD1 4.29Å; T424-L427 HydrophobicContact CG2-CD1 4.29Å; T424-L427 HydrophobicContact CG2-CG 4.17Å; Q425-L427 VanDerWaalsContact C-N 3.28Å; Q425-L427 PolarHBondContact O-N 3.26Å
428	P	93.4	Very high	92.7	Very high	9 Å²	9	51.1 Å²	51.1	6%	0.058	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-62.5	147.7	173	28.6	-35.1	0	0	0	110.7	Y350 F395 A409 P430	Y350-P428 HydrophobicContact CE1-CG 4.39Å; Y350-P428 HydrophobicContact CE2-CB 3.9Å; Y350-P428 HydrophobicContact CE2-CG 4.23Å; F395-P428 HydrophobicContact CB-CB 3.92Å; F395-P428 HydrophobicContact CD1-CB 3.73Å; F395-P428 HydrophobicContact CD1-CG 3.97Å; F395-P428 HydrophobicContact CD2-CB 3.99Å; F395-P428 HydrophobicContact CD2-CG 4.08Å; F395-P428 HydrophobicContact CE1-CB 4.16Å; F395-P428 HydrophobicContact CE1-CG 3.86Å; F395-P428 HydrophobicContact CE2-CB 4.37Å; F395-P428 HydrophobicContact CE2-CG 3.96Å; F395-P428 HydrophobicContact CG-CB 3.63Å; F395-P428 HydrophobicContact CG-CG 4.08Å; F395-P428 HydrophobicContact CZ-CB 4.45Å; F395-P428 HydrophobicContact CZ-CG 3.84Å; A409-P428 HydrophobicContact CB-CG 4.04Å; P428-P430 WeakPolarHBondContact O-CD 3.36Å
429	I	94.6	Very high	92.6	Very high	23 Å²	23	52.6 Å²	52.6	12%	0.118	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-92.2	118.5	-178.9	-49.5	171.1	0	0	0	108.5	F395 N396 L423 T431 L433 L434 K440	F395-I429 VanDerWaalsContact CA-O 3.32Å; F395-I429 WeakPolarHBondContact CA-O 3.27Å; N396-I429 PolarHBondContact N-O 3.44Å; N396-I429 WeakPolarHBondContact OD1-CB 3.34Å; L423-I429 HydrophobicContact CD1-CD1 4.35Å; L423-I429 HydrophobicContact CD1-CG2 4.1Å; L423-I429 HydrophobicContact CD2-CG2 4.5Å; I429-T431 PolarHBondContact O-N 3.1Å; I429-L433 HydrophobicContact CG2-CB 3.98Å; I429-L434 HydrophobicContact CB-CD2 4.02Å; I429-L434 HydrophobicContact CD1-CD2 4.1Å; I429-L434 HydrophobicContact CG2-CD2 3.78Å; I429-L434 HydrophobicContact CG2-CG 4.3Å; I429-K440 VanDerWaalsContact CD1-NZ 3.33Å
430	P	96.3	Very high	92.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-49.6	130.9	167.1	-29.3	34.7	0	0	0	111.1	F395 Q413 P428 H432 L433	F395-P430 HydrophobicContact CE1-CG 4.39Å; Q413-P430 HydrophobicContact CB-CG 4.41Å; Q413-P430 HydrophobicContact CG-CG 4.41Å; P428-P430 WeakPolarHBondContact O-CD 3.36Å; P430-H432 PolarHBondContact O-N 3.44Å; P430-L433 HydrophobicContact CB-CD1 4.16Å; P430-L433 HydrophobicContact CB-CG 4.2Å; P430-L433 HydrophobicContact CG-CD1 4Å; P430-L433 WeakPolarHBondContact O-CB 3.43Å; P430-L433 PolarHBondContact O-N 3.32Å
431	T	95.4	Very high	92.2	Very high	38 Å²	38	51 Å²	51	23%	0.233	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-53.8	-35.8	-172.6	-66.8	0	0	0	0	113.5	S394 N397 I429 L433 L434	S394-T431 WeakPolarHBondContact CB-OG1 3.19Å; S394-T431 PolarHBondContact O-N 3.32Å; S394-T431 PolarHBondContact O-OG1 3.24Å; N397-T431 PolarHBondContact N-OG1 3.21Å; N397-T431 VanDerWaalsContact N-OG1 3.08Å; N397-T431 WeakPolarHBondContact OD1-CG2 3.05Å; I429-T431 PolarHBondContact O-N 3.1Å; T431-L433 PolarHBondContact O-N 2.73Å; T431-L434 HydrophobicContact CG2-CD1 4.24Å; T431-L434 VanDerWaalsContact O-CB 3.28Å; T431-L434 WeakPolarHBondContact O-CB 3.29Å; T431-L434 WeakPolarHBondContact O-CG 3.35Å; T431-L434 PolarHBondContact O-N 3.46Å; T431-L434 VanDerWaalsContact O-N 3.11Å
432	H	94.4	Very high	91.7	Very high	91 Å²	91	45.7 Å²	45.7	42%	0.421	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-71.1	-11.1	179.7	75.4	-90.1	0	0	0	114.5	H410 P430 K436	H410-H432 AromaticContact NE2-CE1 3.97Å; P430-H432 PolarHBondContact O-N 3.44Å; H432-K436 WeakPolarHBondContact O-CE 3.43Å
433	L	95.6	Very high	91.2	Very high	8 Å²	8	47 Å²	47	4%	0.042	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-92.7	-10.6	173.2	-60.6	-179.6	0	0	0	112.2	A417 L423 I429 P430 T431 G435 K436	A417-L433 HydrophobicContact CB-CD1 3.88Å; L423-L433 HydrophobicContact CD2-CB 4.48Å; L423-L433 HydrophobicContact CD2-CD1 3.97Å; I429-L433 HydrophobicContact CG2-CB 3.98Å; P430-L433 HydrophobicContact CB-CD1 4.16Å; P430-L433 HydrophobicContact CB-CG 4.2Å; P430-L433 HydrophobicContact CG-CD1 4Å; P430-L433 WeakPolarHBondContact O-CB 3.43Å; P430-L433 PolarHBondContact O-N 3.32Å; T431-L433 PolarHBondContact O-N 2.73Å; L433-G435 PolarHBondContact O-N 3.32Å; L433-K436 HydrophobicContact CD2-CD 3.79Å; L433-K436 PolarHBondContact O-N 3.18Å
434	L	90.4	Very high	90.7	Very high	63 Å²	63	47.4 Å²	47.4	33%	0.33	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	124.5	172.8	-58.3	169.5	0	0	0	108.7	N397 I429 T431	N397-L434 WeakPolarHBondContact OD1-CD1 3.38Å; I429-L434 HydrophobicContact CB-CD2 4.02Å; I429-L434 HydrophobicContact CD1-CD2 4.1Å; I429-L434 HydrophobicContact CG2-CD2 3.78Å; I429-L434 HydrophobicContact CG2-CG 4.3Å; T431-L434 HydrophobicContact CG2-CD1 4.24Å; T431-L434 VanDerWaalsContact O-CB 3.28Å; T431-L434 WeakPolarHBondContact O-CB 3.29Å; T431-L434 WeakPolarHBondContact O-CG 3.35Å; T431-L434 PolarHBondContact O-N 3.46Å; T431-L434 VanDerWaalsContact O-N 3.11Å
435	G	87.4	Confident	90.3	Very high	72 Å²	72	55.4 Å²	55.4	74%	0.742	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.6	6.2	-178.1	0	0	0	0	0	115.7	L433 D437	L433-G435 PolarHBondContact O-N 3.32Å; G435-D437 VanDerWaalsContact C-N 3.26Å
436	K	91.4	Very high	90.3	Very high	120 Å²	120	53.7 Å²	53.7	52%	0.522	28%	0.278	S	S	.	.	S	Bend	trans	-84	6.9	170.8	-68.5	-166.6	179.4	-178.9	0	114.3	H432 L433 L438	H432-K436 WeakPolarHBondContact O-CE 3.43Å; L433-K436 HydrophobicContact CD2-CD 3.79Å; L433-K436 PolarHBondContact O-N 3.18Å; K436-L438 HydrophobicContact CB-CD1 4.31Å; K436-L438 HydrophobicContact CB-CG 4.03Å; K436-L438 PolarHBondContact O-N 2.87Å
437	D	89.5	Confident	90.5	Very high	160 Å²	160	50.9 Å²	50.9	86%	0.856	27%	0.267	S	S	*	.			trans	49	32	-178.6	-61.8	-23.5	0	0	0	115.2	G435	G435-D437 VanDerWaalsContact C-N 3.26Å
438	L	93.1	Very high	90.4	Very high	38 Å²	38	49.3 Å²	49.3	20%	0.199	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-74.4	131	177.5	-65.1	175.6	0	0	0	110.9	A417 L423 K436	A417-L438 HydrophobicContact CB-CD1 4.01Å; L423-L438 HydrophobicContact CD1-CB 3.96Å; L423-L438 HydrophobicContact CD1-CD1 4.45Å; L423-L438 HydrophobicContact CD2-CD1 3.94Å; L423-L438 HydrophobicContact CG-CB 3.82Å; L423-L438 HydrophobicContact CG-CD1 4Å; K436-L438 HydrophobicContact CB-CD1 4.31Å; K436-L438 HydrophobicContact CB-CG 4.03Å; K436-L438 PolarHBondContact O-N 2.87Å
439	R	91.5	Very high	90.3	Very high	93 Å²	93	49.8 Å²	49.8	35%	0.351	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	156.6	172.6	68.2	175	-72	172.4	-1	111.4	C422 L423 A443	C422-R439 CarbonylContact C-O 3.57Å; C422-R439 WeakPolarHBondContact CA-O 3.36Å; C422-R439 HydrophobicContact CB-CG 3.93Å; C422-R439 WeakPolarHBondContact CB-O 3.4Å; L423-R439 PolarHBondContact N-O 3.19Å; R439-A443 PolarHBondContact NH2-O 3.47Å
440	K	90.7	Very high	90.1	Very high	61 Å²	61	53 Å²	53	27%	0.265	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	139.1	165.4	-56.6	-62.2	-172.5	174.5	0	110.3	L423 I429 Q442 A443	L423-K440 HydrophobicContact CB-CD 4.17Å; L423-K440 CarbonylContact O-C 3.54Å; L423-K440 VanDerWaalsContact O-CA 3.22Å; L423-K440 WeakPolarHBondContact O-CA 3.4Å; I429-K440 VanDerWaalsContact CD1-NZ 3.33Å; K440-Q442 VanDerWaalsContact C-N 3.26Å; K440-Q442 PolarHBondContact O-N 2.95Å; K440-A443 HydrophobicContact CB-CB 3.97Å; K440-A443 WeakPolarHBondContact O-CB 3.17Å; K440-A443 PolarHBondContact O-N 2.97Å
441	C	91.9	Very high	89.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-37.2	177.5	-55.6	0	0	0	0	110.8	V416 C422 L423 F475 A479	V416-C441 VanDerWaalsContact CG1-SG 3.57Å; C422-C441 HydrophobicContact CB-CB 3.97Å; C422-C441 WeakPolarHBondContact CB-SG 3.44Å; C422-C441 VanDerWaalsContact SG-CA 3.54Å; C422-C441 WeakPolarHBondContact SG-CB 3.42Å; C422-C441 CovalentContact SG-SG 2.03Å; C422-C441 PolarHBondContact SG-SG 3.37Å; L423-C441 PolarHBondContact O-N 3.15Å; C441-F475 HydrophobicContact CB-CB 4.49Å; C441-F475 WeakPolarHBondContact O-CB 3.29Å; C441-A479 HydrophobicContact CB-CB 3.9Å
442	Q	86.5	Confident	89.2	Confident	8 Å²	8	57.6 Å²	57.6	4%	0.037	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	19.9	177.7	-57.8	78.8	18.1	0	0	113.5	M231 K440 F444 Y472	M231-Q442 HydrophobicContact CB-CG 4.31Å; M231-Q442 HydrophobicContact SD-CG 4.22Å; K440-Q442 VanDerWaalsContact C-N 3.26Å; K440-Q442 PolarHBondContact O-N 2.95Å; Q442-F444 PolarHBondContact O-N 3.06Å; Q442-Y472 HydrophobicContact CB-CE2 4.29Å
443	A	85.2	Confident	88.7	Confident	26 Å²	26	55.2 Å²	55.2	22%	0.215	28%	0.283	C	S	.	.			trans	-76.9	113.7	173.7	0	0	0	0	0	111	R439 K440	R439-A443 PolarHBondContact NH2-O 3.47Å; K440-A443 HydrophobicContact CB-CB 3.97Å; K440-A443 WeakPolarHBondContact O-CB 3.17Å; K440-A443 PolarHBondContact O-N 2.97Å
444	F	84.5	Confident	88.3	Confident	19 Å²	19	60.9 Å²	60.9	8%	0.083	31%	0.313	C	S	.	.			trans	-104.1	-21.8	175	-165.1	-112.2	0	0	0	113.3	L229 L232 Q442 L446 Y463 F464 Y472	L229-F444 HydrophobicContact CD2-CE2 4.36Å; L232-F444 HydrophobicContact CD1-CD1 4.28Å; L232-F444 HydrophobicContact CD1-CG 4.25Å; L232-F444 HydrophobicContact CD2-CB 3.75Å; L232-F444 HydrophobicContact CD2-CG 4.28Å; Q442-F444 PolarHBondContact O-N 3.06Å; F444-L446 HydrophobicContact CD1-CB 3.67Å; F444-L446 HydrophobicContact CD1-CD2 4.48Å; F444-L446 HydrophobicContact CE1-CB 4.17Å; F444-Y463 WeakPolarHBondContact CZ-O 3.4Å; F444-F464 HydrophobicContact CD1-CZ 4.35Å; F444-F464 HydrophobicContact CE1-CD1 4.18Å; F444-F464 AromaticContact CE1-CD2 3.97Å; F444-F464 HydrophobicContact CE1-CD2 3.97Å; F444-F464 AromaticContact CE1-CE1 3.77Å; F444-F464 HydrophobicContact CE1-CE1 3.77Å; F444-F464 AromaticContact CE1-CE2 3.53Å; F444-F464 HydrophobicContact CE1-CE2 3.53Å; F444-F464 HydrophobicContact CE1-CG 4.27Å; F444-F464 AromaticContact CE1-CZ 3.42Å; F444-F464 HydrophobicContact CE1-CZ 3.42Å; F444-F464 VanDerWaalsContact CE1-CZ 3.42Å; F444-F464 AromaticContact CZ-CD1 3.77Å; F444-F464 HydrophobicContact CZ-CD1 3.77Å; F444-F464 HydrophobicContact CZ-CD2 4.18Å; F444-F464 AromaticContact CZ-CE1 3.69Å; F444-F464 HydrophobicContact CZ-CE1 3.69Å; F444-F464 HydrophobicContact CZ-CE2 4.1Å; F444-F464 HydrophobicContact CZ-CG 4.02Å; F444-F464 AromaticContact CZ-CZ 3.85Å; F444-F464 HydrophobicContact CZ-CZ 3.85Å; F444-Y472 HydrophobicContact CB-CD2 3.93Å; F444-Y472 HydrophobicContact CB-CE2 4.23Å; F444-Y472 AromaticContact CD2-CD2 3.74Å; F444-Y472 HydrophobicContact CD2-CD2 3.74Å; F444-Y472 AromaticContact CD2-CG 3.73Å; F444-Y472 HydrophobicContact CD2-CG 3.73Å; F444-Y472 HydrophobicContact CE2-CG 4.39Å; F444-Y472 HydrophobicContact CG-CD2 4.28Å
445	K	82.6	Confident	88.2	Confident	172 Å²	172	61.2 Å²	61.2	75%	0.748	32%	0.315	S	S	*	.			trans	56.2	50.1	-177.5	-58.7	-174.7	175.8	-171.8	0	112.8	N241 P447 Y463	N241-K445 WeakPolarHBondContact OD1-CA 3.34Å; N241-K445 PolarHBondContact OD1-N 3.46Å; K445-P447 WeakPolarHBondContact O-CD 3.46Å; K445-Y463 WeakPolarHBondContact O-CD1 3.22Å; K445-Y463 WeakPolarHBondContact O-CE1 3.33Å
446	L	86.8	Confident	88.2	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.29	C	S	.	.			trans	-104.5	102	173.6	173	72.7	0	0	0	109	Y210 M213 L214 F217 N241 F444 A448 Y463 F464	Y210-L446 HydrophobicContact CE2-CD2 4.16Å; Y210-L446 HydrophobicContact CE2-CG 4.4Å; M213-L446 HydrophobicContact CE-CD2 3.99Å; M213-L446 HydrophobicContact CE-CG 4.34Å; L214-L446 HydrophobicContact CD2-CD2 3.32Å; L214-L446 HydrophobicContact CG-CD2 4.33Å; F217-L446 HydrophobicContact CD2-CD2 4.44Å; F217-L446 HydrophobicContact CE2-CD1 4.37Å; F217-L446 HydrophobicContact CE2-CD2 4.43Å; N241-L446 VanDerWaalsContact CB-O 3.23Å; N241-L446 WeakPolarHBondContact CB-O 3.4Å; N241-L446 PolarHBondContact OD1-N 2.87Å; F444-L446 HydrophobicContact CD1-CB 3.67Å; F444-L446 HydrophobicContact CD1-CD2 4.48Å; F444-L446 HydrophobicContact CE1-CB 4.17Å; L446-A448 PolarHBondContact O-N 2.7Å; L446-Y463 HydrophobicContact CD1-CD1 4.35Å; L446-Y463 HydrophobicContact CD1-CD2 3.69Å; L446-Y463 HydrophobicContact CD1-CE2 4.42Å; L446-Y463 HydrophobicContact CD1-CG 3.66Å; L446-F464 HydrophobicContact CD1-CE2 4.17Å; L446-F464 HydrophobicContact CD2-CE2 3.77Å; L446-F464 HydrophobicContact CD2-CZ 4.11Å
447	P	88.2	Confident	88	Confident	35 Å²	35	60.1 Å²	60.1	23%	0.227	30%	0.295	C	S	.	.			trans	-55.4	130.5	-176.1	-26.6	36.5	0	0	0	112.3	N241 K445 T449 M452 Y463	N241-P447 WeakPolarHBondContact O-CA 3.41Å; K445-P447 WeakPolarHBondContact O-CD 3.46Å; P447-T449 VanDerWaalsContact C-N 3.26Å; P447-T449 HydrophobicContact CB-CG2 4.29Å; P447-T449 PolarHBondContact O-N 3.21Å; P447-M452 HydrophobicContact CB-CE 4.15Å; P447-M452 HydrophobicContact CB-CG 4.4Å; P447-M452 HydrophobicContact CG-CE 3.97Å; P447-M452 VanDerWaalsContact O-CG 3.28Å; P447-M452 WeakPolarHBondContact O-CG 3.17Å; P447-Y463 VanDerWaalsContact CD-CZ 3.49Å; P447-Y463 HydrophobicContact CG-CE1 4.48Å
448	A	89.2	Confident	88	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.281	C	S	.	.			trans	-82.4	65.6	175.8	0	0	0	0	0	111	V204 L205 Y210 Y238 N241 L446	V204-A448 CarbonylContact C-O 3.45Å; V204-A448 VanDerWaalsContact CA-O 3.3Å; V204-A448 WeakPolarHBondContact CA-O 3.27Å; V204-A448 HydrophobicContact CG1-CB 4.49Å; V204-A448 WeakPolarHBondContact CG1-O 3.49Å; L205-A448 PolarHBondContact N-O 3.32Å; Y210-A448 HydrophobicContact CD2-CB 3.54Å; Y210-A448 HydrophobicContact CE2-CB 3.75Å; Y210-A448 HydrophobicContact CG-CB 4.29Å; Y238-A448 HydrophobicContact CD2-CB 4.23Å; Y238-A448 HydrophobicContact CE2-CB 3.87Å; N241-A448 PolarHBondContact O-N 3.31Å; L446-A448 PolarHBondContact O-N 2.7Å
449	T	91.7	Very high	87.8	Confident	18 Å²	18	56.5 Å²	56.5	11%	0.11	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-124.8	156.7	-177.5	62.5	0	0	0	0	112.8	E203 P243 P447 Q451 M452	E203-T449 WeakPolarHBondContact O-CA 3.42Å; P243-T449 HydrophobicContact CG-CG2 3.53Å; P447-T449 VanDerWaalsContact C-N 3.26Å; P447-T449 HydrophobicContact CB-CG2 4.29Å; P447-T449 PolarHBondContact O-N 3.21Å; T449-Q451 PolarHBondContact O-N 3.22Å; T449-M452 WeakPolarHBondContact O-CB 3.49Å; T449-M452 PolarHBondContact O-N 2.94Å; T449-M452 VanDerWaalsContact O-N 3.14Å
450	Y	90.1	Very high	87.6	Confident	90 Å²	90	55.5 Å²	55.5	35%	0.353	27%	0.271	S	S	.	.	H	α-helix	trans	-58.9	-34.2	174.1	-79.6	-79.8	0	0	0	113.1	E203 L205 M209 M452 L453 D454	E203-Y450 HydrophobicContact CB-CD2 4.29Å; E203-Y450 WeakPolarHBondContact O-CD2 3.43Å; E203-Y450 PolarHBondContact O-N 3.3Å; E203-Y450 VanDerWaalsContact O-N 3.15Å; L205-Y450 HydrophobicContact CD1-CD1 3.9Å; L205-Y450 HydrophobicContact CD1-CE1 3.74Å; L205-Y450 HydrophobicContact CD1-CE2 4.47Å; L205-Y450 HydrophobicContact CD1-CG 4.35Å; M209-Y450 HydrophobicContact CE-CE1 4.23Å; M209-Y450 HydrophobicContact SD-CE1 4.46Å; Y450-M452 PolarHBondContact O-N 2.66Å; Y450-M452 VanDerWaalsContact O-N 3.08Å; Y450-L453 WeakPolarHBondContact O-CA 3.42Å; Y450-L453 WeakPolarHBondContact O-CB 3.28Å; Y450-L453 PolarHBondContact O-N 3.12Å; Y450-D454 PolarHBondContact O-N 2.91Å; Y450-D454 VanDerWaalsContact O-N 3.09Å
451	Q	87	Confident	87.5	Confident	121 Å²	121	59.7 Å²	59.7	57%	0.565	29%	0.292	S	S	*	.	H	α-helix	trans	-53.3	-33.3	175.5	-171.5	-177.8	5.7	0	0	112.8	T449 L453 N455	T449-Q451 PolarHBondContact O-N 3.22Å; Q451-L453 VanDerWaalsContact C-N 3.32Å; Q451-L453 PolarHBondContact O-N 3.42Å; Q451-N455 PolarHBondContact O-N 2.76Å; Q451-N455 VanDerWaalsContact O-N 3.17Å
452	M	85.1	Confident	87.3	Confident	14 Å²	14	64.6 Å²	64.6	7%	0.069	32%	0.317	C	S	.	.	H	α-helix	trans	-71.4	-26.2	177.8	-66.2	-60.5	148.5	0	0	113.7	M213 P447 T449 Y450 S459 Y463	M213-M452 HydrophobicContact CE-CB 4.39Å; M213-M452 HydrophobicContact SD-CB 3.76Å; P447-M452 HydrophobicContact CB-CE 4.15Å; P447-M452 HydrophobicContact CB-CG 4.4Å; P447-M452 HydrophobicContact CG-CE 3.97Å; P447-M452 VanDerWaalsContact O-CG 3.28Å; P447-M452 WeakPolarHBondContact O-CG 3.17Å; T449-M452 WeakPolarHBondContact O-CB 3.49Å; T449-M452 PolarHBondContact O-N 2.94Å; T449-M452 VanDerWaalsContact O-N 3.14Å; Y450-M452 PolarHBondContact O-N 2.66Å; Y450-M452 VanDerWaalsContact O-N 3.08Å; M452-S459 WeakPolarHBondContact CA-OG 3.14Å; M452-S459 PolarHBondContact O-OG 2.76Å; M452-S459 PolarHBondContact SD-OG 2.65Å; M452-Y463 HydrophobicContact CE-CE2 3.58Å; M452-Y463 WeakPolarHBondContact CE-OH 3.43Å; M452-Y463 HydrophobicContact SD-CD2 4Å; M452-Y463 HydrophobicContact SD-CE2 3.38Å; M452-Y463 WeakPolarHBondContact SD-CE2 3.35Å
453	L	85.1	Confident	87.4	Confident	42 Å²	42	66.5 Å²	66.5	22%	0.22	33%	0.325	C	S	.	.	H	α-helix	trans	-78.8	-43.6	173.5	-77.2	175.4	0	0	0	111.6	L205 M209 M213 Y450 Q451 N455 F456	L205-L453 HydrophobicContact CD1-CD1 3.35Å; L205-L453 HydrophobicContact CD1-CG 4.38Å; L205-L453 HydrophobicContact CD2-CD1 3.72Å; L205-L453 HydrophobicContact CD2-CG 4.02Å; L205-L453 HydrophobicContact CG-CD1 4.2Å; M209-L453 HydrophobicContact CE-CD1 3.79Å; M213-L453 HydrophobicContact CB-CD2 3.82Å; M213-L453 HydrophobicContact CG-CD2 3.76Å; M213-L453 HydrophobicContact SD-CD2 3.96Å; M213-L453 HydrophobicContact SD-CG 4.08Å; Y450-L453 WeakPolarHBondContact O-CA 3.42Å; Y450-L453 WeakPolarHBondContact O-CB 3.28Å; Y450-L453 PolarHBondContact O-N 3.12Å; Q451-L453 VanDerWaalsContact C-N 3.32Å; Q451-L453 PolarHBondContact O-N 3.42Å; L453-N455 VanDerWaalsContact C-N 3.32Å; L453-N455 PolarHBondContact O-N 3.03Å; L453-F456 PolarHBondContact O-N 3.45Å
454	D	87.7	Confident	87.6	Confident	127 Å²	127	66.1 Å²	66.1	68%	0.679	32%	0.318	S	S	*	.	H	α-helix	trans	-64.5	-39	-176.9	-66	-24.5	0	0	0	111.5	Y450	Y450-D454 PolarHBondContact O-N 2.91Å; Y450-D454 VanDerWaalsContact O-N 3.09Å
455	N	88	Confident	87.8	Confident	70 Å²	70	68 Å²	68	37%	0.374	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	37.7	179.3	-70.9	7	0	0	0	112.8	Q451 L453 N457 E458 S459	Q451-N455 PolarHBondContact O-N 2.76Å; Q451-N455 VanDerWaalsContact O-N 3.17Å; L453-N455 VanDerWaalsContact C-N 3.32Å; L453-N455 PolarHBondContact O-N 3.03Å; N455-N457 VanDerWaalsContact C-N 3.29Å; N455-N457 PolarHBondContact O-N 2.82Å; N455-E458 HydrophobicContact CB-CB 4.22Å; N455-E458 PolarHBondContact ND2-OE2 3.3Å; N455-E458 WeakPolarHBondContact O-CB 3.47Å; N455-E458 PolarHBondContact O-N 2.86Å; N455-S459 PolarHBondContact O-N 3.07Å; N455-S459 PolarHBondContact O-OG 3.07Å
456	F	86	Confident	88.1	Confident	50 Å²	50	65.8 Å²	65.8	22%	0.219	33%	0.325	C	S	.	.	H	α-helix	trans	-43.9	-46	-170.4	-176.4	-94.1	0	0	0	115.2	R216 F217 L453 K460	R216-F456 HydrophobicContact CB-CE2 3.71Å; R216-F456 HydrophobicContact CB-CZ 3.67Å; F217-F456 HydrophobicContact CD1-CD2 4.26Å; F217-F456 HydrophobicContact CD1-CE1 4.29Å; F217-F456 AromaticContact CD1-CE2 3.52Å; F217-F456 HydrophobicContact CD1-CE2 3.52Å; F217-F456 AromaticContact CD1-CZ 3.53Å; F217-F456 HydrophobicContact CD1-CZ 3.53Å; F217-F456 HydrophobicContact CE1-CD1 4.36Å; F217-F456 AromaticContact CE1-CD2 3.49Å; F217-F456 HydrophobicContact CE1-CD2 3.49Å; F217-F456 VanDerWaalsContact CE1-CD2 3.49Å; F217-F456 HydrophobicContact CE1-CE1 4.14Å; F217-F456 AromaticContact CE1-CE2 3.22Å; F217-F456 HydrophobicContact CE1-CE2 3.22Å; F217-F456 HydrophobicContact CE1-CG 4.06Å; F217-F456 AromaticContact CE1-CZ 3.57Å; F217-F456 HydrophobicContact CE1-CZ 3.57Å; F217-F456 WeakPolarHBondContact CE1-O 3.5Å; F217-F456 HydrophobicContact CE2-CE2 4.34Å; F217-F456 HydrophobicContact CG-CE2 4.16Å; F217-F456 HydrophobicContact CG-CZ 4.35Å; F217-F456 AromaticContact CZ-CD2 3.73Å; F217-F456 HydrophobicContact CZ-CD2 3.73Å; F217-F456 AromaticContact CZ-CE2 3.69Å; F217-F456 HydrophobicContact CZ-CE2 3.69Å; F217-F456 HydrophobicContact CZ-CZ 4.47Å; L453-F456 PolarHBondContact O-N 3.45Å; F456-K460 HydrophobicContact CE1-CD 4.42Å; F456-K460 VanDerWaalsContact O-CB 3.23Å; F456-K460 WeakPolarHBondContact O-CB 3.39Å; F456-K460 PolarHBondContact O-N 2.8Å
457	N	88.5	Confident	88.3	Confident	118 Å²	118	72.9 Å²	72.9	63%	0.631	36%	0.358	S	S	*	.	H	α-helix	trans	-68.6	-39	-178.8	-74.9	-28.9	0	0	0	112.9	N455 Q461	N455-N457 VanDerWaalsContact C-N 3.29Å; N455-N457 PolarHBondContact O-N 2.82Å; N457-Q461 WeakPolarHBondContact O-CG 3.41Å; N457-Q461 PolarHBondContact O-N 3.08Å; N457-Q461 VanDerWaalsContact O-N 3.1Å
458	E	89.6	Confident	88.4	Confident	118 Å²	118	72.7 Å²	72.7	55%	0.551	36%	0.36	S	S	*	.	H	α-helix	trans	-69.4	-46.8	176.5	-173.5	-177.6	-166.2	0	0	110	N455 K460 Q461 L462	N455-E458 HydrophobicContact CB-CB 4.22Å; N455-E458 PolarHBondContact ND2-OE2 3.3Å; N455-E458 WeakPolarHBondContact O-CB 3.47Å; N455-E458 PolarHBondContact O-N 2.86Å; E458-K460 VanDerWaalsContact C-N 3.27Å; E458-K460 PolarHBondContact O-N 3.31Å; E458-Q461 PolarHBondContact O-N 3.13Å; E458-L462 WeakPolarHBondContact O-CB 3.32Å; E458-L462 PolarHBondContact O-N 2.82Å
459	S	88.4	Confident	88.6	Confident	5 Å²	5	72.9 Å²	72.9	4%	0.035	36%	0.361	C	S	.	.	H	α-helix	trans	-58.2	-39.8	174.6	-57.3	0	0	0	0	111.9	M452 N455 L462 Y463	M452-S459 WeakPolarHBondContact CA-OG 3.14Å; M452-S459 PolarHBondContact O-OG 2.76Å; M452-S459 PolarHBondContact SD-OG 2.65Å; N455-S459 PolarHBondContact O-N 3.07Å; N455-S459 PolarHBondContact O-OG 3.07Å; S459-L462 PolarHBondContact O-N 2.96Å; S459-Y463 VanDerWaalsContact O-CD2 3.3Å; S459-Y463 WeakPolarHBondContact O-CD2 3.22Å; S459-Y463 PolarHBondContact O-N 2.84Å
460	K	87.9	Confident	88.6	Confident	71 Å²	71	74.1 Å²	74.1	31%	0.309	37%	0.37	S	S	.	.	H	α-helix	trans	-60.7	-46.1	173.2	-179.9	173.8	163.2	173.8	0	111.9	F217 S220 F456 E458 L462 F464	F217-K460 HydrophobicContact CD1-CB 3.82Å; F217-K460 HydrophobicContact CD1-CD 4.49Å; F217-K460 HydrophobicContact CD1-CG 4.12Å; F217-K460 HydrophobicContact CE1-CB 3.66Å; F217-K460 HydrophobicContact CE1-CG 4.45Å; S220-K460 VanDerWaalsContact CB-CE 3.49Å; S220-K460 WeakPolarHBondContact OG-CE 3.31Å; S220-K460 PolarHBondContact OG-NZ 3.16Å; F456-K460 HydrophobicContact CE1-CD 4.42Å; F456-K460 VanDerWaalsContact O-CB 3.23Å; F456-K460 WeakPolarHBondContact O-CB 3.39Å; F456-K460 PolarHBondContact O-N 2.8Å; E458-K460 VanDerWaalsContact C-N 3.27Å; E458-K460 PolarHBondContact O-N 3.31Å; K460-L462 VanDerWaalsContact C-N 3.31Å; K460-F464 HydrophobicContact CG-CB 4.41Å; K460-F464 CarbonylContact O-C 3.56Å; K460-F464 VanDerWaalsContact O-CA 3.3Å; K460-F464 WeakPolarHBondContact O-CA 3.2Å; K460-F464 WeakPolarHBondContact O-CB 3.41Å; K460-F464 PolarHBondContact O-N 3.32Å
461	Q	87.6	Confident	88.7	Confident	149 Å²	149	71.8 Å²	71.8	70%	0.696	37%	0.366	S	S	*	.	H	α-helix	trans	-66.1	-35.8	178.2	-72.6	176.9	-2.8	0	0	111.9	N457 E458 N465	N457-Q461 WeakPolarHBondContact O-CG 3.41Å; N457-Q461 PolarHBondContact O-N 3.08Å; N457-Q461 VanDerWaalsContact O-N 3.1Å; E458-Q461 PolarHBondContact O-N 3.13Å; Q461-N465 WeakPolarHBondContact O-CB 3.47Å; Q461-N465 PolarHBondContact O-ND2 3.06Å
462	L	87.9	Confident	88.9	Confident	103 Å²	103	66.1 Å²	66.1	54%	0.539	34%	0.339	S	S	.	.	H	α-helix	trans	-75.5	-46.5	-176.6	-170.5	61	0	0	0	112.8	E458 S459 K460 N465	E458-L462 WeakPolarHBondContact O-CB 3.32Å; E458-L462 PolarHBondContact O-N 2.82Å; S459-L462 PolarHBondContact O-N 2.96Å; K460-L462 VanDerWaalsContact C-N 3.31Å; L462-N465 PolarHBondContact O-ND2 3.34Å
463	Y	87.7	Confident	89.3	Confident	49 Å²	49	65.5 Å²	65.5	19%	0.192	34%	0.336	C	S	.	.	H	α-helix	trans	-104	-27.4	-171.8	-60.9	-77	0	0	0	114	F444 K445 L446 P447 M452 S459 A468	F444-Y463 WeakPolarHBondContact CZ-O 3.4Å; K445-Y463 WeakPolarHBondContact O-CD1 3.22Å; K445-Y463 WeakPolarHBondContact O-CE1 3.33Å; L446-Y463 HydrophobicContact CD1-CD1 4.35Å; L446-Y463 HydrophobicContact CD1-CD2 3.69Å; L446-Y463 HydrophobicContact CD1-CE2 4.42Å; L446-Y463 HydrophobicContact CD1-CG 3.66Å; P447-Y463 VanDerWaalsContact CD-CZ 3.49Å; P447-Y463 HydrophobicContact CG-CE1 4.48Å; M452-Y463 HydrophobicContact CE-CE2 3.58Å; M452-Y463 WeakPolarHBondContact CE-OH 3.43Å; M452-Y463 HydrophobicContact SD-CD2 4Å; M452-Y463 HydrophobicContact SD-CE2 3.38Å; M452-Y463 WeakPolarHBondContact SD-CE2 3.35Å; S459-Y463 VanDerWaalsContact O-CD2 3.3Å; S459-Y463 WeakPolarHBondContact O-CD2 3.22Å; S459-Y463 PolarHBondContact O-N 2.84Å; Y463-A468 WeakPolarHBondContact O-CB 3.33Å
464	F	89.6	Confident	89.7	Confident	17 Å²	17	70.4 Å²	70.4	8%	0.075	35%	0.352	C	S	.	.	S	Bend	trans	-109.8	29.2	-177.9	-73.2	-94.3	0	0	0	113.1	L214 F217 V221 F444 L446 K460 V469	L214-F464 HydrophobicContact CD2-CZ 3.83Å; F217-F464 HydrophobicContact CB-CD1 3.86Å; F217-F464 HydrophobicContact CB-CD2 3.64Å; F217-F464 HydrophobicContact CB-CE1 3.68Å; F217-F464 HydrophobicContact CB-CE2 3.45Å; F217-F464 VanDerWaalsContact CB-CE2 3.45Å; F217-F464 HydrophobicContact CB-CG 3.84Å; F217-F464 HydrophobicContact CB-CZ 3.47Å; F217-F464 VanDerWaalsContact CB-CZ 3.47Å; F217-F464 AromaticContact CD1-CD2 4Å; F217-F464 HydrophobicContact CD1-CD2 4Å; F217-F464 HydrophobicContact CD1-CE2 4.25Å; F217-F464 AromaticContact CD2-CD2 3.77Å; F217-F464 HydrophobicContact CD2-CD2 3.77Å; F217-F464 AromaticContact CD2-CE2 3.18Å; F217-F464 HydrophobicContact CD2-CE2 3.18Å; F217-F464 AromaticContact CD2-CZ 3.8Å; F217-F464 HydrophobicContact CD2-CZ 3.8Å; F217-F464 HydrophobicContact CE2-CD2 4.36Å; F217-F464 AromaticContact CE2-CE2 3.9Å; F217-F464 HydrophobicContact CE2-CE2 3.9Å; F217-F464 AromaticContact CG-CD2 3.55Å; F217-F464 HydrophobicContact CG-CD2 3.55Å; F217-F464 AromaticContact CG-CE2 3.39Å; F217-F464 HydrophobicContact CG-CE2 3.39Å; F217-F464 HydrophobicContact CG-CG 4.2Å; F217-F464 AromaticContact CG-CZ 3.93Å; F217-F464 HydrophobicContact CG-CZ 3.93Å; V221-F464 HydrophobicContact CG2-CD1 3.97Å; F444-F464 HydrophobicContact CD1-CZ 4.35Å; F444-F464 HydrophobicContact CE1-CD1 4.18Å; F444-F464 AromaticContact CE1-CD2 3.97Å; F444-F464 HydrophobicContact CE1-CD2 3.97Å; F444-F464 AromaticContact CE1-CE1 3.77Å; F444-F464 HydrophobicContact CE1-CE1 3.77Å; F444-F464 AromaticContact CE1-CE2 3.53Å; F444-F464 HydrophobicContact CE1-CE2 3.53Å; F444-F464 HydrophobicContact CE1-CG 4.27Å; F444-F464 AromaticContact CE1-CZ 3.42Å; F444-F464 HydrophobicContact CE1-CZ 3.42Å; F444-F464 VanDerWaalsContact CE1-CZ 3.42Å; F444-F464 AromaticContact CZ-CD1 3.77Å; F444-F464 HydrophobicContact CZ-CD1 3.77Å; F444-F464 HydrophobicContact CZ-CD2 4.18Å; F444-F464 AromaticContact CZ-CE1 3.69Å; F444-F464 HydrophobicContact CZ-CE1 3.69Å; F444-F464 HydrophobicContact CZ-CE2 4.1Å; F444-F464 HydrophobicContact CZ-CG 4.02Å; F444-F464 AromaticContact CZ-CZ 3.85Å; F444-F464 HydrophobicContact CZ-CZ 3.85Å; L446-F464 HydrophobicContact CD1-CE2 4.17Å; L446-F464 HydrophobicContact CD2-CE2 3.77Å; L446-F464 HydrophobicContact CD2-CZ 4.11Å; K460-F464 HydrophobicContact CG-CB 4.41Å; K460-F464 CarbonylContact O-C 3.56Å; K460-F464 VanDerWaalsContact O-CA 3.3Å; K460-F464 WeakPolarHBondContact O-CA 3.2Å; K460-F464 WeakPolarHBondContact O-CB 3.41Å; K460-F464 PolarHBondContact O-N 3.32Å; F464-V469 HydrophobicContact CB-CG2 4.48Å; F464-V469 HydrophobicContact CD1-CG2 4.22Å
465	N	89.5	Confident	90.1	Very high	59 Å²	59	65.4 Å²	65.4	32%	0.316	32%	0.324	S	S	.	.	S	Bend	trans	-70.8	163.7	166.9	62.3	58.1	0	0	0	111.7	Q461 L462 E467 A468 V469	Q461-N465 WeakPolarHBondContact O-CB 3.47Å; Q461-N465 PolarHBondContact O-ND2 3.06Å; L462-N465 PolarHBondContact O-ND2 3.34Å; N465-E467 PolarHBondContact O-N 3.37Å; N465-E467 PolarHBondContact OD1-N 3.02Å; N465-A468 PolarHBondContact O-N 3.33Å; N465-A468 WeakPolarHBondContact OD1-CB 3.5Å; N465-A468 PolarHBondContact OD1-N 3.46Å; N465-V469 WeakPolarHBondContact O-CG2 3.08Å; N465-V469 PolarHBondContact O-N 2.88Å
466	N	89	Confident	90.3	Very high	126 Å²	126	62 Å²	62	67%	0.674	31%	0.306	S	S	*	.	H	α-helix	trans	-58.4	-34.5	-176.1	-70.2	-20.3	0	0	0	112.9	S470	N466-S470 WeakPolarHBondContact O-CB 3.05Å; N466-S470 PolarHBondContact O-N 2.85Å; N466-S470 PolarHBondContact O-OG 3.46Å
467	E	91.3	Very high	90.7	Very high	148 Å²	148	62.4 Å²	62.4	69%	0.692	31%	0.308	S	S	*	.	H	α-helix	trans	-70.3	-47.1	-179.6	-174.1	179.9	174.4	0	0	111.9	N465 S470 T471	N465-E467 PolarHBondContact O-N 3.37Å; N465-E467 PolarHBondContact OD1-N 3.02Å; E467-S470 PolarHBondContact O-OG 3Å; E467-S470 VanDerWaalsContact O-OG 3.05Å; E467-T471 WeakPolarHBondContact O-CB 3.44Å; E467-T471 PolarHBondContact O-N 3.48Å; E467-T471 PolarHBondContact O-OG1 3.36Å
468	A	90.5	Very high	91	Very high	32 Å²	32	58.6 Å²	58.6	26%	0.264	29%	0.291	S	S	.	.	H	α-helix	trans	-63.6	-46	178.7	0	0	0	0	0	111.4	Y463 N465 T471 Y472	Y463-A468 WeakPolarHBondContact O-CB 3.33Å; N465-A468 PolarHBondContact O-N 3.33Å; N465-A468 WeakPolarHBondContact OD1-CB 3.5Å; N465-A468 PolarHBondContact OD1-N 3.46Å; A468-T471 PolarHBondContact O-N 3.1Å; A468-Y472 WeakPolarHBondContact O-CB 3.45Å; A468-Y472 PolarHBondContact O-N 3.08Å
469	V	91.7	Very high	91.2	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.024	27%	0.267	C	S	.	.	H	α-helix	trans	-64.6	-48.1	178.8	173.4	0	0	0	0	111.5	V221 Y225 L229 F464 N465 T471 Y472 A473	V221-V469 HydrophobicContact CG1-CG1 3.69Å; V221-V469 HydrophobicContact CG2-CG2 4.3Å; Y225-V469 HydrophobicContact CD2-CG1 3.8Å; Y225-V469 HydrophobicContact CG-CG1 3.74Å; L229-V469 HydrophobicContact CD1-CG1 4.36Å; F464-V469 HydrophobicContact CB-CG2 4.48Å; F464-V469 HydrophobicContact CD1-CG2 4.22Å; N465-V469 WeakPolarHBondContact O-CG2 3.08Å; N465-V469 PolarHBondContact O-N 2.88Å; V469-T471 VanDerWaalsContact C-N 3.33Å; V469-T471 PolarHBondContact O-N 2.85Å; V469-Y472 PolarHBondContact O-N 2.92Å; V469-A473 VanDerWaalsContact O-CB 3.29Å; V469-A473 WeakPolarHBondContact O-CB 3.36Å; V469-A473 PolarHBondContact O-N 2.03Å
470	S	91.8	Very high	91.4	Very high	43 Å²	43	55.2 Å²	55.2	30%	0.301	28%	0.275	S	S	.	.	H	α-helix	trans	-64.7	-38.4	179	59.8	0	0	0	0	111.8	N466 E467 A473 R474	N466-S470 WeakPolarHBondContact O-CB 3.05Å; N466-S470 PolarHBondContact O-N 2.85Å; N466-S470 PolarHBondContact O-OG 3.46Å; E467-S470 PolarHBondContact O-OG 3Å; E467-S470 VanDerWaalsContact O-OG 3.05Å; S470-A473 PolarHBondContact O-N 3.06Å; S470-R474 WeakPolarHBondContact O-CB 3.29Å; S470-R474 PolarHBondContact O-N 2.84Å
471	T	92.3	Very high	91.6	Very high	41 Å²	41	57.4 Å²	57.4	25%	0.252	29%	0.285	S	S	.	.	H	α-helix	trans	-63.3	-48.1	175.7	-64.1	0	0	0	0	111.4	E467 A468 V469 R474 F475	E467-T471 WeakPolarHBondContact O-CB 3.44Å; E467-T471 PolarHBondContact O-N 3.48Å; E467-T471 PolarHBondContact O-OG1 3.36Å; A468-T471 PolarHBondContact O-N 3.1Å; V469-T471 VanDerWaalsContact C-N 3.33Å; V469-T471 PolarHBondContact O-N 2.85Å; T471-R474 PolarHBondContact O-N 3.17Å; T471-F475 HydrophobicContact CG2-CD2 4.2Å; T471-F475 HydrophobicContact CG2-CE2 4.01Å; T471-F475 VanDerWaalsContact O-CD2 3.25Å; T471-F475 WeakPolarHBondContact O-CD2 3.32Å; T471-F475 PolarHBondContact O-N 3.37Å
472	Y	92.3	Very high	91.9	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.008	26%	0.256	C	S	.	.	H	α-helix	trans	-59.9	-49.9	176	171.3	-87.1	0	0	0	111.4	Y228 L229 L232 Q442 F444 A468 V469 R474 F475 A476	Y228-Y472 WeakPolarHBondContact O-CE1 3.4Å; Y228-Y472 PolarHBondContact O-OH 3.3Å; L229-Y472 HydrophobicContact CD2-CD1 3.54Å; L229-Y472 HydrophobicContact CD2-CE1 3.65Å; L229-Y472 HydrophobicContact CD2-CG 4.37Å; L229-Y472 HydrophobicContact CG-CD1 4.46Å; L229-Y472 HydrophobicContact CG-CE1 4.38Å; L232-Y472 HydrophobicContact CD2-CD2 4.32Å; L232-Y472 HydrophobicContact CD2-CE2 3.43Å; L232-Y472 VanDerWaalsContact CD2-CE2 3.43Å; L232-Y472 WeakPolarHBondContact CD2-OH 3.41Å; L232-Y472 HydrophobicContact CG-CE1 4.46Å; L232-Y472 HydrophobicContact CG-CE2 4.23Å; Q442-Y472 HydrophobicContact CB-CE2 4.29Å; F444-Y472 HydrophobicContact CB-CD2 3.93Å; F444-Y472 HydrophobicContact CB-CE2 4.23Å; F444-Y472 AromaticContact CD2-CD2 3.74Å; F444-Y472 HydrophobicContact CD2-CD2 3.74Å; F444-Y472 AromaticContact CD2-CG 3.73Å; F444-Y472 HydrophobicContact CD2-CG 3.73Å; F444-Y472 HydrophobicContact CE2-CG 4.39Å; F444-Y472 HydrophobicContact CG-CD2 4.28Å; A468-Y472 WeakPolarHBondContact O-CB 3.45Å; A468-Y472 PolarHBondContact O-N 3.08Å; V469-Y472 PolarHBondContact O-N 2.92Å; Y472-R474 VanDerWaalsContact C-N 3.27Å; Y472-R474 PolarHBondContact O-N 3.49Å; Y472-F475 PolarHBondContact O-N 2.89Å; Y472-F475 VanDerWaalsContact O-N 3.16Å; Y472-A476 HydrophobicContact CD1-CB 4.41Å; Y472-A476 HydrophobicContact CE1-CB 3.94Å; Y472-A476 WeakPolarHBondContact O-CB 3.25Å; Y472-A476 PolarHBondContact O-N 3.32Å
473	A	93.4	Very high	92	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-57	-42.2	-179.8	0	0	0	0	0	111.2	Y225 Y228 V469 S470 F475 A476 E477	Y225-A473 HydrophobicContact CD1-CB 3.41Å; Y225-A473 VanDerWaalsContact CD1-CB 3.41Å; Y225-A473 HydrophobicContact CE1-CB 4.1Å; Y225-A473 HydrophobicContact CG-CB 4.26Å; Y228-A473 HydrophobicContact CD2-CB 3.97Å; V469-A473 VanDerWaalsContact O-CB 3.29Å; V469-A473 WeakPolarHBondContact O-CB 3.36Å; V469-A473 PolarHBondContact O-N 2.03Å; S470-A473 PolarHBondContact O-N 3.06Å; A473-F475 PolarHBondContact O-N 3.44Å; A473-A476 PolarHBondContact O-N 3Å; A473-E477 WeakPolarHBondContact O-CA 3.19Å; A473-E477 WeakPolarHBondContact O-CB 3.25Å; A473-E477 PolarHBondContact O-N 3.38Å
474	R	94.1	Very high	92	Very high	146 Å²	146	50.1 Å²	50.1	55%	0.551	26%	0.264	S	S	*	.	H	α-helix	trans	-57.3	-45.3	177.2	-177.7	177	65.1	97.2	-7.2	113.2	S470 T471 Y472 C478	S470-R474 WeakPolarHBondContact O-CB 3.29Å; S470-R474 PolarHBondContact O-N 2.84Å; T471-R474 PolarHBondContact O-N 3.17Å; Y472-R474 VanDerWaalsContact C-N 3.27Å; Y472-R474 PolarHBondContact O-N 3.49Å; R474-C478 VanDerWaalsContact O-CB 3.32Å; R474-C478 WeakPolarHBondContact O-CB 3.48Å; R474-C478 PolarHBondContact O-N 2.93Å; R474-C478 VanDerWaalsContact O-N 3.11Å
475	F	94.3	Very high	91.9	Very high	21 Å²	21	52.5 Å²	52.5	9%	0.092	29%	0.288	C	S	.	.	H	α-helix	trans	-75.2	-42.5	179.7	-75.7	-76.7	0	0	0	112.3	C420 C422 C441 T471 Y472 A473 C478 A479	C420-F475 WeakPolarHBondContact O-CE1 3.38Å; C422-F475 HydrophobicContact CB-CD1 3.94Å; C422-F475 HydrophobicContact CB-CE1 4.41Å; C441-F475 HydrophobicContact CB-CB 4.49Å; C441-F475 WeakPolarHBondContact O-CB 3.29Å; T471-F475 HydrophobicContact CG2-CD2 4.2Å; T471-F475 HydrophobicContact CG2-CE2 4.01Å; T471-F475 VanDerWaalsContact O-CD2 3.25Å; T471-F475 WeakPolarHBondContact O-CD2 3.32Å; T471-F475 PolarHBondContact O-N 3.37Å; Y472-F475 PolarHBondContact O-N 2.89Å; Y472-F475 VanDerWaalsContact O-N 3.16Å; A473-F475 PolarHBondContact O-N 3.44Å; F475-C478 PolarHBondContact O-N 3.41Å; F475-A479 WeakPolarHBondContact O-CB 3.45Å; F475-A479 PolarHBondContact O-N 3.16Å
476	A	93.2	Very high	91.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-44.6	177.6	0	0	0	0	0	111.5	M231 Y472 A473 A479 E480	M231-A476 HydrophobicContact SD-CB 4.29Å; Y472-A476 HydrophobicContact CD1-CB 4.41Å; Y472-A476 HydrophobicContact CE1-CB 3.94Å; Y472-A476 WeakPolarHBondContact O-CB 3.25Å; Y472-A476 PolarHBondContact O-N 3.32Å; A473-A476 PolarHBondContact O-N 3Å; A476-A479 PolarHBondContact O-N 3.4Å; A476-E480 WeakPolarHBondContact O-CB 3.38Å; A476-E480 PolarHBondContact O-N 3.02Å
477	E	94.1	Very high	90.8	Very high	57 Å²	57	50 Å²	50	27%	0.266	27%	0.274	S	S	.	.	H	α-helix	trans	-60.7	-45.8	174.5	175.3	172.5	-157.1	0	0	111.7	Y228 A473 A479 E480 K481	Y228-E477 HydrophobicContact CD1-CB 4.01Å; Y228-E477 HydrophobicContact CD2-CB 4.36Å; Y228-E477 HydrophobicContact CE1-CB 3.57Å; Y228-E477 HydrophobicContact CE1-CG 3.88Å; Y228-E477 HydrophobicContact CE2-CB 3.93Å; Y228-E477 HydrophobicContact CE2-CG 4.21Å; Y228-E477 HydrophobicContact CG-CB 4.39Å; Y228-E477 VanDerWaalsContact OH-CG 3.25Å; Y228-E477 WeakPolarHBondContact OH-CG 3.21Å; Y228-E477 PolarHBondContact OH-OE1 3.11Å; A473-E477 WeakPolarHBondContact O-CA 3.19Å; A473-E477 WeakPolarHBondContact O-CB 3.25Å; A473-E477 PolarHBondContact O-N 3.38Å; E477-A479 VanDerWaalsContact C-N 3.31Å; E477-A479 PolarHBondContact O-N 3.36Å; E477-E480 PolarHBondContact O-N 2.62Å; E477-K481 HydrophobicContact CG-CD 3.81Å; E477-K481 HydrophobicContact CG-CG 4.26Å; E477-K481 VanDerWaalsContact O-CB 3.29Å; E477-K481 WeakPolarHBondContact O-CB 3Å; E477-K481 WeakPolarHBondContact O-CG 3.35Å; E477-K481 PolarHBondContact O-N 3.17Å; E477-K481 WeakPolarHBondContact OE1-CE 3.25Å; E477-K481 IonicContact OE1-NZ 3.97Å; E477-K481 PolarHBondContact OE1-NZ 2.77Å
478	C	95.3	Very high	89.5	Confident	38 Å²	38	46.5 Å²	46.5	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-60	-44.5	177.7	-175.1	0	0	0	0	111.2	C420 R474 F475 T482	C420-C478 WeakPolarHBondContact CA-SG 3.1Å; C420-C478 HydrophobicContact CB-CB 3.83Å; C420-C478 WeakPolarHBondContact CB-SG 3.49Å; C420-C478 WeakPolarHBondContact SG-CB 3.48Å; C420-C478 PolarHBondContact SG-O 3.13Å; C420-C478 VanDerWaalsContact SG-O 3.35Å; C420-C478 CovalentContact SG-SG 2.03Å; C420-C478 PolarHBondContact SG-SG 3.1Å; R474-C478 VanDerWaalsContact O-CB 3.32Å; R474-C478 WeakPolarHBondContact O-CB 3.48Å; R474-C478 PolarHBondContact O-N 2.93Å; R474-C478 VanDerWaalsContact O-N 3.11Å; F475-C478 PolarHBondContact O-N 3.41Å; C478-T482 WeakPolarHBondContact O-CB 3.29Å; C478-T482 PolarHBondContact O-N 2.81Å; C478-T482 PolarHBondContact O-OG1 2.82Å
479	A	94.3	Very high	88.4	Confident	6 Å²	6	54.7 Å²	54.7	5%	0.05	29%	0.291	C	S	.	.	H	α-helix	trans	-64.5	-45.7	178.4	0	0	0	0	0	111.9	V416 C441 F475 A476 E477 T482 G483	V416-A479 HydrophobicContact CG1-CB 3.89Å; C441-A479 HydrophobicContact CB-CB 3.9Å; F475-A479 WeakPolarHBondContact O-CB 3.45Å; F475-A479 PolarHBondContact O-N 3.16Å; A476-A479 PolarHBondContact O-N 3.4Å; E477-A479 VanDerWaalsContact C-N 3.31Å; E477-A479 PolarHBondContact O-N 3.36Å; A479-T482 PolarHBondContact O-N 3.3Å; A479-G483 PolarHBondContact O-N 3.41Å
480	E	91.6	Very high	87.2	Confident	46 Å²	46	61.6 Å²	61.6	22%	0.215	32%	0.323	C	S	.	.	H	α-helix	trans	-60.1	-54.2	176.7	-167.7	-178.3	156.3	0	0	110.9	R227 Y228 M231 A476 E477 T482 G483 T484	R227-E480 IonicContact CZ-OE1 3.56Å; R227-E480 IonicContact NE-OE1 3.11Å; R227-E480 PolarHBondContact NE-OE1 3.05Å; R227-E480 IonicContact NH2-OE1 2.73Å; R227-E480 PolarHBondContact NH2-OE1 2.9Å; Y228-E480 WeakPolarHBondContact CD1-OE2 3.49Å; Y228-E480 WeakPolarHBondContact CE1-OE2 3.43Å; M231-E480 HydrophobicContact CE-CB 3.91Å; M231-E480 HydrophobicContact CE-CG 3.98Å; M231-E480 VanDerWaalsContact CE-OE2 3.29Å; M231-E480 WeakPolarHBondContact CE-OE2 3.47Å; A476-E480 WeakPolarHBondContact O-CB 3.38Å; A476-E480 PolarHBondContact O-N 3.02Å; E477-E480 PolarHBondContact O-N 2.62Å; E480-T482 VanDerWaalsContact C-N 3.32Å; E480-T482 PolarHBondContact O-N 2.93Å; E480-G483 PolarHBondContact O-N 2.91Å; E480-G483 VanDerWaalsContact O-N 3.17Å; E480-T484 HydrophobicContact CG-CG2 4.48Å; E480-T484 WeakPolarHBondContact O-CG2 3.15Å; E480-T484 PolarHBondContact O-N 3.13Å; E480-T484 PolarHBondContact O-OG1 2.79Å; E480-T484 VanDerWaalsContact O-OG1 3.08Å
481	K	93	Very high	86.7	Confident	118 Å²	118	60.3 Å²	60.3	51%	0.513	31%	0.312	S	S	.	.	H	α-helix	trans	-59	-43.5	-179.8	-76.2	-178.6	171.1	173.4	0	111.8	E477 T484 A485	E477-K481 HydrophobicContact CG-CD 3.81Å; E477-K481 HydrophobicContact CG-CG 4.26Å; E477-K481 VanDerWaalsContact O-CB 3.29Å; E477-K481 WeakPolarHBondContact O-CB 3Å; E477-K481 WeakPolarHBondContact O-CG 3.35Å; E477-K481 PolarHBondContact O-N 3.17Å; E477-K481 WeakPolarHBondContact OE1-CE 3.25Å; E477-K481 IonicContact OE1-NZ 3.97Å; E477-K481 PolarHBondContact OE1-NZ 2.77Å; K481-T484 WeakPolarHBondContact CA-OG1 3.18Å; K481-T484 PolarHBondContact O-N 2.63Å; K481-T484 PolarHBondContact O-OG1 2.81Å; K481-T484 VanDerWaalsContact O-OG1 3.06Å; K481-A485 WeakPolarHBondContact O-CB 3.42Å; K481-A485 PolarHBondContact O-N 3.39Å
482	T	93	Very high	86.3	Confident	16 Å²	16	61 Å²	61	10%	0.098	33%	0.328	C	S	.	.	H	α-helix	trans	-64	-44.4	177.9	-59.3	0	0	0	0	110.9	K415 V416 N419 C478 A479 E480 A485 M486	K415-T482 HydrophobicContact CB-CG2 4.08Å; K415-T482 HydrophobicContact CG-CG2 3.6Å; V416-T482 HydrophobicContact CG2-CG2 4.06Å; N419-T482 HydrophobicContact CB-CG2 4.45Å; C478-T482 WeakPolarHBondContact O-CB 3.29Å; C478-T482 PolarHBondContact O-N 2.81Å; C478-T482 PolarHBondContact O-OG1 2.82Å; A479-T482 PolarHBondContact O-N 3.3Å; E480-T482 VanDerWaalsContact C-N 3.32Å; E480-T482 PolarHBondContact O-N 2.93Å; T482-A485 PolarHBondContact O-N 2.99Å; T482-M486 WeakPolarHBondContact O-CG 3.42Å; T482-M486 PolarHBondContact O-N 3.29Å
483	G	89.9	Confident	86.2	Confident	23 Å²	23	61.7 Å²	61.7	24%	0.237	33%	0.333	C	S	.	.	H	α-helix	trans	-62.7	-45.8	176.4	0	0	0	0	0	112.9	A479 E480 A485 M486	A479-G483 PolarHBondContact O-N 3.41Å; E480-G483 PolarHBondContact O-N 2.91Å; E480-G483 VanDerWaalsContact O-N 3.17Å; G483-A485 VanDerWaalsContact C-N 3.35Å; G483-A485 PolarHBondContact O-N 2.87Å; G483-M486 PolarHBondContact O-N 3.34Å
484	T	87.4	Confident	86.2	Confident	108 Å²	108	67.1 Å²	67.1	66%	0.663	35%	0.353	S	S	*	.	H	α-helix	trans	-71.4	-26.7	-179.5	55.4	0	0	0	0	113.8	E480 K481 M486	E480-T484 HydrophobicContact CG-CG2 4.48Å; E480-T484 WeakPolarHBondContact O-CG2 3.15Å; E480-T484 PolarHBondContact O-N 3.13Å; E480-T484 PolarHBondContact O-OG1 2.79Å; E480-T484 VanDerWaalsContact O-OG1 3.08Å; K481-T484 WeakPolarHBondContact CA-OG1 3.18Å; K481-T484 PolarHBondContact O-N 2.63Å; K481-T484 PolarHBondContact O-OG1 2.81Å; K481-T484 VanDerWaalsContact O-OG1 3.06Å; T484-M486 VanDerWaalsContact C-N 3.3Å
485	A	87	Confident	86.1	Confident	68 Å²	68	60.4 Å²	60.4	56%	0.562	33%	0.328	S	S	*	.	H	α-helix	trans	-76.2	-20.5	177.8	0	0	0	0	0	112.5	K481 T482 G483 D487	K481-A485 WeakPolarHBondContact O-CB 3.42Å; K481-A485 PolarHBondContact O-N 3.39Å; T482-A485 PolarHBondContact O-N 2.99Å; G483-A485 VanDerWaalsContact C-N 3.35Å; G483-A485 PolarHBondContact O-N 2.87Å; A485-D487 PolarHBondContact O-N 2.96Å; A485-D487 VanDerWaalsContact O-N 3.07Å
486	M	84.4	Confident	86.1	Confident	33 Å²	33	60.8 Å²	60.8	16%	0.163	34%	0.335	C	S	.	.			trans	-80.1	88.1	175.9	-68.3	-175.1	82	0	0	109.6	M411 V412 K415 T482 G483 T484 I491	M411-M486 HydrophobicContact CB-CE 4.15Å; V412-M486 HydrophobicContact CB-SD 4.49Å; V412-M486 HydrophobicContact CG2-SD 4.13Å; K415-M486 HydrophobicContact CB-CE 3.98Å; K415-M486 HydrophobicContact CB-SD 3.45Å; K415-M486 WeakPolarHBondContact CB-SD 3.41Å; K415-M486 HydrophobicContact CG-CE 4.31Å; K415-M486 HydrophobicContact CG-SD 3.69Å; T482-M486 WeakPolarHBondContact O-CG 3.42Å; T482-M486 PolarHBondContact O-N 3.29Å; G483-M486 PolarHBondContact O-N 3.34Å; T484-M486 VanDerWaalsContact C-N 3.3Å; M486-I491 HydrophobicContact CB-CD1 3.95Å; M486-I491 HydrophobicContact CB-CG1 4.01Å; M486-I491 HydrophobicContact CE-CD1 4.29Å; M486-I491 HydrophobicContact CE-CG1 3.76Å; M486-I491 HydrophobicContact CE-CG2 4.46Å
487	D	71.1	Confident	86.2	Confident	100 Å²	100	61.4 Å²	61.4	54%	0.535	34%	0.34	S	S	.	.			trans	-63.5	137.9	166.7	-170.8	-2.4	0	0	0	109.3	A485 Y489 Q490 I491	A485-D487 PolarHBondContact O-N 2.96Å; A485-D487 VanDerWaalsContact O-N 3.07Å; D487-Y489 PolarHBondContact O-N 2.04Å; D487-Q490 HydrophobicContact CB-CG 4.39Å; D487-Q490 PolarHBondContact O-N 3.49Å; D487-I491 PolarHBondContact O-N 2.88Å
488	S	65.2	Low	86.2	Confident	73 Å²	73	62.3 Å²	62.3	51%	0.51	35%	0.349	S	S	.	.	H	α-helix	trans	-50.6	-32.5	-179.8	-80.5	0	0	0	0	112.2
489	Y	66.5	Low	86.1	Confident	205 Å²	205	64.8 Å²	64.8	80%	0.804	35%	0.353	S	S	*	.	H	α-helix	trans	-66.3	-36.1	176.5	-171.2	-101.4	0	0	0	113.7	D487	D487-Y489 PolarHBondContact O-N 2.04Å
490	Q	68	Low	86.1	Confident	149 Å²	149	67.4 Å²	67.4	70%	0.696	36%	0.362	S	S	*	.	H	α-helix	trans	-78.2	-23.5	-177.1	-66.8	-172.8	4.2	0	0	113.5	D487 G492	D487-Q490 HydrophobicContact CB-CG 4.39Å; D487-Q490 PolarHBondContact O-N 3.49Å; Q490-G492 PolarHBondContact O-N 2.92Å
491	I	79.4	Confident	86.2	Confident	15 Å²	15	67.2 Å²	67.2	8%	0.077	36%	0.364	C	S	.	.	H	α-helix	trans	-69.5	-26.2	-175.6	-60	175.5	0	0	0	111.4	H408 M411 V412 M486 D487 C493	H408-I491 WeakPolarHBondContact CD2-CD1 3.28Å; H408-I491 WeakPolarHBondContact NE2-CD1 3.39Å; M411-I491 HydrophobicContact CB-CG2 3.41Å; M411-I491 VanDerWaalsContact CB-CG2 3.41Å; M411-I491 HydrophobicContact CG-CG2 3.55Å; V412-I491 HydrophobicContact CG2-CD1 4.39Å; M486-I491 HydrophobicContact CB-CD1 3.95Å; M486-I491 HydrophobicContact CB-CG1 4.01Å; M486-I491 HydrophobicContact CE-CD1 4.29Å; M486-I491 HydrophobicContact CE-CG1 3.76Å; M486-I491 HydrophobicContact CE-CG2 4.46Å; D487-I491 PolarHBondContact O-N 2.88Å; I491-C493 HydrophobicContact CG2-CB 4.24Å; I491-C493 WeakPolarHBondContact CG2-SG 3.44Å; I491-C493 PolarHBondContact O-N 3.32Å
492	G	85	Confident	86.4	Confident	57 Å²	57	62.5 Å²	62.5	59%	0.588	34%	0.343	S	S	*	.			trans	73.4	6	-179.6	0	0	0	0	0	114.3	Q490 R494	Q490-G492 PolarHBondContact O-N 2.92Å; G492-R494 PolarHBondContact O-N 2.95Å
493	C	91	Very high	86.5	Confident	15 Å²	15	67.9 Å²	67.9	10%	0.101	37%	0.365	C	S	.	.			trans	-67.9	122.3	170.9	-68.9	0	0	0	0	109.6	C407 H408 I491	C407-C493 HydrophobicContact CB-CB 3.75Å; C407-C493 WeakPolarHBondContact CB-SG 3.46Å; C407-C493 WeakPolarHBondContact SG-CB 3.45Å; C407-C493 CovalentContact SG-SG 2.04Å; C407-C493 PolarHBondContact SG-SG 3.3Å; H408-C493 PolarHBondContact N-SG 3.01Å; I491-C493 HydrophobicContact CG2-CB 4.24Å; I491-C493 WeakPolarHBondContact CG2-SG 3.44Å; I491-C493 PolarHBondContact O-N 3.32Å
494	R	92	Very high	86.7	Confident	116 Å²	116	69.4 Å²	69.4	44%	0.438	37%	0.371	S	S	.	.			trans	-121.7	140.3	176.8	-67.8	-173.9	179.1	-175.5	-0.3	110.3	R384 F402 G492	R384-R494 WeakPolarHBondContact O-CD 3.48Å; R384-R494 WeakPolarHBondContact O-CG 3.36Å; F402-R494 WeakPolarHBondContact CE1-O 3.31Å; G492-R494 PolarHBondContact O-N 2.95Å
495	P	93.2	Very high	87.2	Confident	4 Å²	4	67.7 Å²	67.7	3%	0.026	36%	0.363	C	S	.	.			trans	-67.8	152	173.8	28.7	-33.4	0	0	0	110.4	M377 R384 C385 S386 E404	M377-P495 HydrophobicContact CE-CG 4.28Å; M377-P495 HydrophobicContact SD-CG 4.29Å; R384-P495 HydrophobicContact CG-CG 4.37Å; C385-P495 CarbonylContact C-O 3.35Å; C385-P495 VanDerWaalsContact CA-O 3.28Å; C385-P495 WeakPolarHBondContact CA-O 3.28Å; C385-P495 HydrophobicContact CB-CG 4.49Å; C385-P495 WeakPolarHBondContact CB-O 3.49Å; S386-P495 PolarHBondContact N-O 3.45Å; E404-P495 HydrophobicContact CB-CB 4.3Å
496	A	93.8	Very high	87.6	Confident	29 Å²	29	68 Å²	68	24%	0.24	36%	0.355	C	S	.	.	B	Isolated β-bridge	trans	-62.1	140.4	167.7	0	0	0	0	0	109.6	T389 V498	T389-A496 HydrophobicContact CG2-CB 4.3Å; A496-V498 PolarHBondContact O-N 2.88Å
497	C	95.5	Very high	88.2	Confident	14 Å²	14	70.4 Å²	70.4	10%	0.095	37%	0.371	C	S	.	.	S	Bend	trans	-62.6	-24	-179	-64	0	0	0	0	113.9	S376 M377 E379 C385 S386 K387	S376-C497 CarbonylContact C-O 3.52Å; S376-C497 WeakPolarHBondContact CA-O 3.48Å; M377-C497 PolarHBondContact N-O 3.19Å; E379-C497 VanDerWaalsContact CG-SG 3.6Å; C385-C497 VanDerWaalsContact CB-CA 3.49Å; C385-C497 HydrophobicContact CB-CB 3.82Å; C385-C497 WeakPolarHBondContact CB-SG 3.48Å; C385-C497 WeakPolarHBondContact SG-CA 3.37Å; C385-C497 WeakPolarHBondContact SG-CB 3.04Å; C385-C497 CovalentContact SG-SG 2.04Å; C385-C497 PolarHBondContact SG-SG 3.06Å; S386-C497 PolarHBondContact O-N 3.33Å; K387-C497 HydrophobicContact CG-CB 4.49Å
498	V	94.2	Very high	89.4	Confident	75 Å²	75	69 Å²	69	46%	0.455	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.4	171	-177	0	0	0	0	108.4	E374 W375 A496	E374-V498 HydrophobicContact CG-CG1 3.99Å; W375-V498 WeakPolarHBondContact O-CA 2.98Å; A496-V498 PolarHBondContact O-N 2.88Å
499	R	93.2	Very high	90.9	Very high	91 Å²	91	68.3 Å²	68.3	34%	0.343	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	156.3	176.7	66.2	178.6	-174.6	93.6	6.3	111.2	W375 T501	W375-R499 HydrophobicContact CB-CG 3.74Å; W375-R499 HydrophobicContact CG-CG 4.27Å; W375-R499 PolarHBondContact N-O 3.11Å; W375-R499 PolarHBondContact O-N 2.75Å; R499-T501 VanDerWaalsContact NH1-CG2 3.26Å
500	Y	93.5	Very high	92.3	Very high	60 Å²	60	65.3 Å²	65.3	24%	0.235	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144.1	179.4	-58.4	-80.9	0	0	0	110.6	R178 P346 V372 Y373 E374	R178-Y500 HydrophobicContact CG-CD1 4.41Å; R178-Y500 HydrophobicContact CG-CE1 3.93Å; P346-Y500 VanDerWaalsContact CG-O 3.24Å; P346-Y500 WeakPolarHBondContact CG-O 3.15Å; V372-Y500 HydrophobicContact CG1-CD1 4.2Å; Y373-Y500 CarbonylContact O-C 3.44Å; Y373-Y500 VanDerWaalsContact O-CA 3.26Å; Y373-Y500 WeakPolarHBondContact O-CA 3.47Å; E374-Y500 HydrophobicContact CB-CD1 4.07Å; E374-Y500 HydrophobicContact CB-CE1 3.96Å; E374-Y500 HydrophobicContact CG-CD1 4.34Å; E374-Y500 HydrophobicContact CG-CE1 3.89Å; E374-Y500 WeakPolarHBondContact OE2-CE1 3.42Å; E374-Y500 PolarHBondContact OE2-OH 2.8Å
501	T	95	Very high	93.5	Very high	43 Å²	43	60 Å²	60	26%	0.264	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152.6	167.5	57.1	0	0	0	0	109.7	Y373 W375 R499	Y373-T501 WeakPolarHBondContact CB-OG1 3.48Å; Y373-T501 PolarHBondContact N-O 3.43Å; Y373-T501 PolarHBondContact O-N 2.98Å; W375-T501 PolarHBondContact NE1-OG1 3.24Å; R499-T501 VanDerWaalsContact NH1-CG2 3.26Å
502	Y	95.7	Very high	94	Very high	18 Å²	18	59.3 Å²	59.3	7%	0.071	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	110.6	-176.1	-57.7	-91.3	0	0	0	108.3	P179 P181 P346 F370 V372 P504	P179-Y502 PolarHBondContact O-OH 2.73Å; P181-Y502 HydrophobicContact CB-CD1 3.77Å; P181-Y502 HydrophobicContact CB-CD2 3.78Å; P181-Y502 HydrophobicContact CB-CE1 3.84Å; P181-Y502 HydrophobicContact CB-CE2 3.87Å; P181-Y502 HydrophobicContact CB-CG 3.73Å; P181-Y502 HydrophobicContact CG-CD1 3.86Å; P181-Y502 HydrophobicContact CG-CE1 4.1Å; P181-Y502 HydrophobicContact CG-CG 4.17Å; P346-Y502 HydrophobicContact CG-CE2 4.34Å; F370-Y502 AromaticContact CD2-CD1 3.78Å; F370-Y502 HydrophobicContact CD2-CD1 3.78Å; F370-Y502 AromaticContact CE2-CD1 3.99Å; F370-Y502 HydrophobicContact CE2-CD1 3.99Å; F370-Y502 HydrophobicContact CE2-CE1 4.36Å; V372-Y502 HydrophobicContact CG1-CE1 4.15Å; V372-Y502 HydrophobicContact CG2-CD1 3.97Å; V372-Y502 HydrophobicContact CG2-CE1 3.89Å; Y502-P504 WeakPolarHBondContact O-CD 3.22Å
503	K	95	Very high	94.3	Very high	130 Å²	130	60.5 Å²	60.5	57%	0.565	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	114.1	-179.9	-173.1	174.4	-178.6	175.8	0	109.2	F370 T371 Y373	F370-K503 VanDerWaalsContact CA-O 3.29Å; F370-K503 WeakPolarHBondContact CA-O 3.38Å; T371-K503 PolarHBondContact N-O 3.03Å; T371-K503 PolarHBondContact O-N 3.3Å; Y373-K503 HydrophobicContact CD2-CB 4.08Å; Y373-K503 HydrophobicContact CE2-CB 3.69Å; Y373-K503 HydrophobicContact CE2-CD 3.98Å; Y373-K503 HydrophobicContact CE2-CG 4.49Å
504	P	95.7	Very high	94.2	Very high	55 Å²	55	62 Å²	62	36%	0.357	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	148.3	179.3	32.2	-34.1	0	0	0	112.1	L344 I368 R369 Y502 I506	L344-P504 HydrophobicContact CD1-CB 4.42Å; I368-P504 HydrophobicContact CG2-CB 3.78Å; R369-P504 CarbonylContact O-C 3.52Å; R369-P504 WeakPolarHBondContact O-CA 3.07Å; Y502-P504 WeakPolarHBondContact O-CD 3.22Å; P504-I506 HydrophobicContact CB-CG1 4.36Å
505	S	96.6	Very high	94	Very high	72 Å²	72	62.5 Å²	62.5	50%	0.503	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	113.9	168	174.4	0	0	0	0	106.9	R369	R369-S505 PolarHBondContact N-O 3.02Å; R369-S505 PolarHBondContact O-N 3.48Å
506	I	96.4	Very high	93.8	Very high	75 Å²	75	66 Å²	66	39%	0.385	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	132.6	-165.8	-56.7	173.1	0	0	0	109.7	V358 T366 I368 P504	V358-I506 HydrophobicContact CB-CD1 3.84Å; V358-I506 HydrophobicContact CG1-CD1 3.87Å; V358-I506 HydrophobicContact CG2-CD1 3.84Å; T366-I506 HydrophobicContact CG2-CG2 3.52Å; I368-I506 HydrophobicContact CG1-CG1 4.43Å; I368-I506 HydrophobicContact CG2-CG1 4.4Å; P504-I506 HydrophobicContact CB-CG1 4.36Å
507	T	97.1	Very high	93.7	Very high	82 Å²	82	64.7 Å²	64.7	50%	0.503	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.2	169.6	58.1	0	0	0	0	109	T366 D367	T366-T507 CarbonylContact C-O 3.24Å; T366-T507 WeakPolarHBondContact CA-O 3.35Å; D367-T507 PolarHBondContact N-O 2.89Å; D367-T507 PolarHBondContact O-N 3.15Å; D367-T507 PolarHBondContact O-OG1 3.32Å
508	A	96.6	Very high	93.4	Very high	70 Å²	70	65.1 Å²	65.1	58%	0.579	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	145.4	-179.1	0	0	0	0	0	110.9	M365	M365-A508 WeakPolarHBondContact O-CA 3.21Å
509	A	96.4	Very high	93.2	Very high	59 Å²	59	67.8 Å²	67.8	49%	0.488	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	156	172.5	0	0	0	0	0	109.9	T364 M365 W511	T364-A509 CarbonylContact C-O 3.15Å; T364-A509 WeakPolarHBondContact CA-O 3.44Å; T364-A509 WeakPolarHBondContact CB-O 3.03Å; M365-A509 PolarHBondContact N-O 2.82Å; M365-A509 PolarHBondContact O-N 2.87Å; A509-W511 PolarHBondContact O-N 3.39Å
510	Q	94.5	Very high	93.1	Very high	143 Å²	143	64 Å²	64	67%	0.668	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.5	133.1	177.2	-174.6	178.3	0.8	0	0	111
511	W	93.7	Very high	93	Very high	37 Å²	37	61.1 Å²	61.1	14%	0.14	34%	0.335	C	S	.	.			trans	-150	140.2	179.1	176.1	91.3	0	0	0	112	V313 G363 M365 A509 F520 F586 F590	V313-W511 HydrophobicContact CG1-CH2 4.05Å; V313-W511 HydrophobicContact CG2-CH2 4.32Å; G363-W511 CarbonylContact C-O 3.5Å; G363-W511 PolarHBondContact O-N 2.94Å; G363-W511 VanDerWaalsContact O-O 3.04Å; M365-W511 HydrophobicContact CB-CB 3.64Å; M365-W511 HydrophobicContact CB-CG 3.95Å; A509-W511 PolarHBondContact O-N 3.39Å; W511-F520 HydrophobicContact CH2-CE1 4.04Å; W511-F520 HydrophobicContact CH2-CE2 4.27Å; W511-F520 AromaticContact CH2-CZ 3.7Å; W511-F520 HydrophobicContact CH2-CZ 3.7Å; W511-F520 HydrophobicContact CZ2-CD2 4.41Å; W511-F520 HydrophobicContact CZ2-CE1 4.26Å; W511-F520 AromaticContact CZ2-CE2 3.74Å; W511-F520 HydrophobicContact CZ2-CE2 3.74Å; W511-F520 AromaticContact CZ2-CZ 3.66Å; W511-F520 HydrophobicContact CZ2-CZ 3.66Å; W511-F586 HydrophobicContact CE3-CE1 4.36Å; W511-F586 HydrophobicContact CH2-CE1 4.11Å; W511-F586 HydrophobicContact CH2-CZ 4Å; W511-F586 AromaticContact CZ3-CE1 3.78Å; W511-F586 HydrophobicContact CZ3-CE1 3.78Å; W511-F586 HydrophobicContact CZ3-CZ 4.09Å; W511-F590 HydrophobicContact CZ3-CB 4.26Å
512	P	90.9	Very high	92.7	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.006	34%	0.337	C	S	.	.	S	Bend	cis	-78.2	169.8	-9.5	32.2	-36.2	0	0	0	111.4	F516 L517 F586	P512-F516 HydrophobicContact CB-CD1 3.88Å; P512-L517 HydrophobicContact CG-CB 4.12Å; P512-L517 HydrophobicContact CG-CD1 3.48Å; P512-L517 VanDerWaalsContact CG-CD1 3.48Å; P512-L517 HydrophobicContact CG-CG 4.31Å; P512-F586 HydrophobicContact CG-CD1 3.86Å; P512-F586 HydrophobicContact CG-CE1 3.75Å
513	T	90.7	Very high	92.4	Very high	81 Å²	81	64.7 Å²	64.7	50%	0.497	35%	0.352	S	S	.	.			trans	-67.6	145.8	167.2	60.1	0	0	0	0	109.8	T515 F516 L517	T513-T515 PolarHBondContact O-N 2.88Å; T513-T515 VanDerWaalsContact O-N 3.15Å; T513-T515 PolarHBondContact OG1-OG1 3.45Å; T513-F516 PolarHBondContact O-N 3.46Å; T513-F516 VanDerWaalsContact OG1-CB 3.27Å; T513-F516 WeakPolarHBondContact OG1-CB 3.47Å; T513-L517 PolarHBondContact O-N 3.26Å
514	K	89	Confident	92.1	Very high	46 Å²	46	58.7 Å²	58.7	20%	0.2	33%	0.326	C	S	.	.	H	α-helix	trans	-52.9	-38.6	178	-72.4	-66.4	-166.2	177.7	0	112.3	F516 L517 L580 T583 E587	K514-F516 VanDerWaalsContact C-N 3.28Å; K514-F516 PolarHBondContact O-N 3.3Å; K514-L517 HydrophobicContact CD-CD2 4.37Å; K514-L517 PolarHBondContact O-N 2.99Å; K514-L580 HydrophobicContact CB-CD2 4.27Å; K514-L580 HydrophobicContact CD-CD1 4.43Å; K514-L580 HydrophobicContact CD-CG 4.28Å; K514-L580 PolarHBondContact NZ-O 3.01Å; K514-T583 PolarHBondContact NZ-O 3.44Å; K514-E587 WeakPolarHBondContact CD-OE1 3.42Å; K514-E587 WeakPolarHBondContact CE-OE1 3.47Å; K514-E587 IonicContact NZ-OE1 2.8Å; K514-E587 PolarHBondContact NZ-OE1 3.4Å; K514-E587 IonicContact NZ-OE2 3.95Å
515	T	87.5	Confident	91.7	Very high	127 Å²	127	56.2 Å²	56.2	78%	0.779	31%	0.309	S	S	*	.	H	α-helix	trans	-66.2	-26.2	178.4	54.2	0	0	0	0	113.9	T513	T513-T515 PolarHBondContact O-N 2.88Å; T513-T515 VanDerWaalsContact O-N 3.15Å; T513-T515 PolarHBondContact OG1-OG1 3.45Å
516	F	89.6	Confident	91.3	Very high	79 Å²	79	59.2 Å²	59.2	35%	0.346	31%	0.313	S	S	.	.	H	α-helix	trans	-94.6	-20.9	-178.9	-176.4	-114.5	0	0	0	113	P512 T513 K514 T518 W519 F520	P512-F516 HydrophobicContact CB-CD1 3.88Å; T513-F516 PolarHBondContact O-N 3.46Å; T513-F516 VanDerWaalsContact OG1-CB 3.27Å; T513-F516 WeakPolarHBondContact OG1-CB 3.47Å; K514-F516 VanDerWaalsContact C-N 3.28Å; K514-F516 PolarHBondContact O-N 3.3Å; F516-T518 PolarHBondContact O-N 3.09Å; F516-W519 AromaticContact CD2-CE3 3.89Å; F516-W519 HydrophobicContact CD2-CE3 3.89Å; F516-W519 HydrophobicContact CD2-CZ3 4.39Å; F516-W519 HydrophobicContact CE1-CE3 4.34Å; F516-W519 HydrophobicContact CE1-CZ3 4.31Å; F516-W519 HydrophobicContact CE2-CD2 4.12Å; F516-W519 AromaticContact CE2-CE3 3.18Å; F516-W519 HydrophobicContact CE2-CE3 3.18Å; F516-W519 HydrophobicContact CE2-CH2 4.23Å; F516-W519 AromaticContact CE2-CZ3 3.29Å; F516-W519 HydrophobicContact CE2-CZ3 3.29Å; F516-W519 AromaticContact CZ-CE3 3.49Å; F516-W519 HydrophobicContact CZ-CE3 3.49Å; F516-W519 VanDerWaalsContact CZ-CE3 3.49Å; F516-W519 HydrophobicContact CZ-CH2 4.33Å; F516-W519 AromaticContact CZ-CZ3 3.25Å; F516-W519 HydrophobicContact CZ-CZ3 3.25Å; F516-W519 PolarHBondContact O-N 3.37Å; F516-F520 HydrophobicContact CD1-CB 3.94Å; F516-F520 HydrophobicContact CD1-CD2 4.4Å; F516-F520 HydrophobicContact CE1-CB 3.83Å; F516-F520 AromaticContact CE1-CD2 3.56Å; F516-F520 HydrophobicContact CE1-CD2 3.56Å; F516-F520 HydrophobicContact CE1-CG 4.07Å; F516-F520 HydrophobicContact CZ-CB 4.43Å; F516-F520 HydrophobicContact CZ-CD2 4.13Å; F516-F520 WeakPolarHBondContact O-CB 3.28Å; F516-F520 PolarHBondContact O-N 3Å
517	L	91.1	Very high	90.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-58.6	-46.9	-167.7	178.8	54.7	0	0	0	113.8	P512 T513 K514 W519 F520 V521 Y561 L580 F586 E587	P512-L517 HydrophobicContact CG-CB 4.12Å; P512-L517 HydrophobicContact CG-CD1 3.48Å; P512-L517 VanDerWaalsContact CG-CD1 3.48Å; P512-L517 HydrophobicContact CG-CG 4.31Å; T513-L517 PolarHBondContact O-N 3.26Å; K514-L517 HydrophobicContact CD-CD2 4.37Å; K514-L517 PolarHBondContact O-N 2.99Å; L517-W519 PolarHBondContact O-N 3.38Å; L517-F520 PolarHBondContact O-N 3.43Å; L517-V521 HydrophobicContact CD1-CG2 3.82Å; L517-V521 WeakPolarHBondContact O-CB 3.45Å; L517-V521 WeakPolarHBondContact O-CG2 3.41Å; L517-V521 PolarHBondContact O-N 3.49Å; L517-Y561 HydrophobicContact CD1-CE1 4.24Å; L517-Y561 HydrophobicContact CD2-CD1 4.02Å; L517-Y561 HydrophobicContact CD2-CE1 3.25Å; L517-Y561 HydrophobicContact CG-CD1 3.88Å; L517-Y561 HydrophobicContact CG-CE1 3.59Å; L517-L580 HydrophobicContact CD2-CD1 4.13Å; L517-F586 HydrophobicContact CD1-CB 3.57Å; L517-F586 HydrophobicContact CD1-CD1 3.52Å; L517-F586 HydrophobicContact CD1-CD2 3.92Å; L517-F586 HydrophobicContact CD1-CE1 4.24Å; L517-F586 HydrophobicContact CD1-CG 3.35Å; L517-F586 HydrophobicContact CD2-CB 4.48Å; L517-E587 WeakPolarHBondContact CD2-OE1 3.28Å
518	T	89.9	Confident	89.9	Confident	23 Å²	23	56.2 Å²	56.2	14%	0.141	29%	0.292	C	S	.	.	H	α-helix	trans	-64.9	-42.3	-179.1	53.5	0	0	0	0	112.3	F516 T522 I564 L580	F516-T518 PolarHBondContact O-N 3.09Å; T518-T522 WeakPolarHBondContact O-CB 3.27Å; T518-T522 VanDerWaalsContact O-CG2 3.32Å; T518-T522 WeakPolarHBondContact O-CG2 3.31Å; T518-T522 PolarHBondContact O-N 3.45Å; T518-T522 VanDerWaalsContact O-N 3.11Å; T518-T522 PolarHBondContact O-OG1 2.89Å; T518-I564 HydrophobicContact CG2-CB 3.98Å; T518-I564 HydrophobicContact CG2-CG2 3.58Å; T518-L580 HydrophobicContact CG2-CD1 4.26Å
519	W	90.2	Very high	89.2	Confident	131 Å²	131	55.7 Å²	55.7	50%	0.496	28%	0.278	S	S	.	.	H	α-helix	trans	-63	-43.2	173.5	178.2	92.1	0	0	0	111.2	F516 L517 T522 K523	F516-W519 AromaticContact CD2-CE3 3.89Å; F516-W519 HydrophobicContact CD2-CE3 3.89Å; F516-W519 HydrophobicContact CD2-CZ3 4.39Å; F516-W519 HydrophobicContact CE1-CE3 4.34Å; F516-W519 HydrophobicContact CE1-CZ3 4.31Å; F516-W519 HydrophobicContact CE2-CD2 4.12Å; F516-W519 AromaticContact CE2-CE3 3.18Å; F516-W519 HydrophobicContact CE2-CE3 3.18Å; F516-W519 HydrophobicContact CE2-CH2 4.23Å; F516-W519 AromaticContact CE2-CZ3 3.29Å; F516-W519 HydrophobicContact CE2-CZ3 3.29Å; F516-W519 AromaticContact CZ-CE3 3.49Å; F516-W519 HydrophobicContact CZ-CE3 3.49Å; F516-W519 VanDerWaalsContact CZ-CE3 3.49Å; F516-W519 HydrophobicContact CZ-CH2 4.33Å; F516-W519 AromaticContact CZ-CZ3 3.25Å; F516-W519 HydrophobicContact CZ-CZ3 3.25Å; F516-W519 PolarHBondContact O-N 3.37Å; L517-W519 PolarHBondContact O-N 3.38Å; W519-T522 PolarHBondContact O-OG1 3.33Å; W519-K523 HydrophobicContact CH2-CD 3.37Å; W519-K523 HydrophobicContact CZ2-CD 3.58Å; W519-K523 HydrophobicContact CZ3-CD 3.84Å; W519-K523 VanDerWaalsContact O-CB 3.28Å; W519-K523 WeakPolarHBondContact O-CB 3.43Å; W519-K523 PolarHBondContact O-N 3.32Å
520	F	90.4	Very high	88.6	Confident	11 Å²	11	58.3 Å²	58.3	5%	0.048	28%	0.283	C	S	.	.	H	α-helix	trans	-63.3	-50	-179.6	-178.2	-88.4	0	0	0	111.3	W511 F516 L517 K523 F524 F586	W511-F520 HydrophobicContact CH2-CE1 4.04Å; W511-F520 HydrophobicContact CH2-CE2 4.27Å; W511-F520 AromaticContact CH2-CZ 3.7Å; W511-F520 HydrophobicContact CH2-CZ 3.7Å; W511-F520 HydrophobicContact CZ2-CD2 4.41Å; W511-F520 HydrophobicContact CZ2-CE1 4.26Å; W511-F520 AromaticContact CZ2-CE2 3.74Å; W511-F520 HydrophobicContact CZ2-CE2 3.74Å; W511-F520 AromaticContact CZ2-CZ 3.66Å; W511-F520 HydrophobicContact CZ2-CZ 3.66Å; F516-F520 HydrophobicContact CD1-CB 3.94Å; F516-F520 HydrophobicContact CD1-CD2 4.4Å; F516-F520 HydrophobicContact CE1-CB 3.83Å; F516-F520 AromaticContact CE1-CD2 3.56Å; F516-F520 HydrophobicContact CE1-CD2 3.56Å; F516-F520 HydrophobicContact CE1-CG 4.07Å; F516-F520 HydrophobicContact CZ-CB 4.43Å; F516-F520 HydrophobicContact CZ-CD2 4.13Å; F516-F520 WeakPolarHBondContact O-CB 3.28Å; F516-F520 PolarHBondContact O-N 3Å; L517-F520 PolarHBondContact O-N 3.43Å; F520-K523 PolarHBondContact O-N 3.03Å; F520-F524 HydrophobicContact CD1-CB 4.35Å; F520-F524 HydrophobicContact CE1-CB 4.09Å; F520-F524 HydrophobicContact CE1-CD2 4.34Å; F520-F524 HydrophobicContact CE1-CG 4.21Å; F520-F524 HydrophobicContact CZ-CD2 4.44Å; F520-F524 WeakPolarHBondContact O-CB 3.34Å; F520-F524 PolarHBondContact O-N 2.95Å; F520-F586 AromaticContact CD1-CE2 3.77Å; F520-F586 HydrophobicContact CD1-CE2 3.77Å; F520-F586 AromaticContact CD1-CZ 3.58Å; F520-F586 HydrophobicContact CD1-CZ 3.58Å; F520-F586 HydrophobicContact CE1-CE1 4.47Å; F520-F586 AromaticContact CE1-CE2 3.73Å; F520-F586 HydrophobicContact CE1-CE2 3.73Å; F520-F586 AromaticContact CE1-CZ 3.36Å; F520-F586 HydrophobicContact CE1-CZ 3.36Å; F520-F586 HydrophobicContact CZ-CZ 4.4Å
521	V	90.8	Very high	87.8	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.2	-48.7	-178.5	170.9	0	0	0	0	111.2	L517 K523 F524 I525 L558 Y561 F586	L517-V521 HydrophobicContact CD1-CG2 3.82Å; L517-V521 WeakPolarHBondContact O-CB 3.45Å; L517-V521 WeakPolarHBondContact O-CG2 3.41Å; L517-V521 PolarHBondContact O-N 3.49Å; V521-K523 VanDerWaalsContact C-N 3.33Å; V521-K523 PolarHBondContact O-N 3.07Å; V521-F524 PolarHBondContact O-N 2.83Å; V521-I525 HydrophobicContact CG1-CD1 3.75Å; V521-I525 HydrophobicContact CG1-CG1 4.38Å; V521-I525 WeakPolarHBondContact O-CG1 3.31Å; V521-I525 PolarHBondContact O-N 2.94Å; V521-L558 HydrophobicContact CG1-CB 3.98Å; V521-L558 HydrophobicContact CG1-CD1 4.22Å; V521-L558 HydrophobicContact CG1-CG 4.49Å; V521-Y561 HydrophobicContact CB-CG 4.41Å; V521-Y561 HydrophobicContact CG1-CD2 4.22Å; V521-Y561 HydrophobicContact CG1-CG 4.32Å; V521-Y561 HydrophobicContact CG2-CD2 4.07Å; V521-Y561 HydrophobicContact CG2-CG 4.11Å; V521-F586 HydrophobicContact CG2-CD2 3.47Å; V521-F586 VanDerWaalsContact CG2-CD2 3.47Å; V521-F586 HydrophobicContact CG2-CE2 3.86Å; V521-F586 HydrophobicContact CG2-CG 4.27Å
522	T	89.1	Confident	86.8	Confident	49 Å²	49	52.3 Å²	52.3	30%	0.301	26%	0.263	S	S	.	.	H	α-helix	trans	-61.5	-40.9	179.3	50.9	0	0	0	0	112.2	T518 W519 K526 E562 A565	T518-T522 WeakPolarHBondContact O-CB 3.27Å; T518-T522 VanDerWaalsContact O-CG2 3.32Å; T518-T522 WeakPolarHBondContact O-CG2 3.31Å; T518-T522 PolarHBondContact O-N 3.45Å; T518-T522 VanDerWaalsContact O-N 3.11Å; T518-T522 PolarHBondContact O-OG1 2.89Å; W519-T522 PolarHBondContact O-OG1 3.33Å; T522-K526 WeakPolarHBondContact O-CB 3.37Å; T522-K526 PolarHBondContact O-N 2.93Å; T522-E562 HydrophobicContact CG2-CG 4.44Å; T522-A565 HydrophobicContact CG2-CB 4.09Å
523	K	90	Very high	86	Confident	88 Å²	88	57.9 Å²	57.9	38%	0.383	29%	0.285	S	S	.	.	H	α-helix	trans	-66.2	-43.5	174.2	-178.4	174.7	174.8	177.6	0	111.9	W519 F520 V521 K526 E527	W519-K523 HydrophobicContact CH2-CD 3.37Å; W519-K523 HydrophobicContact CZ2-CD 3.58Å; W519-K523 HydrophobicContact CZ3-CD 3.84Å; W519-K523 VanDerWaalsContact O-CB 3.28Å; W519-K523 WeakPolarHBondContact O-CB 3.43Å; W519-K523 PolarHBondContact O-N 3.32Å; F520-K523 PolarHBondContact O-N 3.03Å; V521-K523 VanDerWaalsContact C-N 3.33Å; V521-K523 PolarHBondContact O-N 3.07Å; K523-K526 PolarHBondContact O-N 3.35Å; K523-E527 WeakPolarHBondContact CE-OE1 3.35Å; K523-E527 HydrophobicContact CG-CG 4.43Å; K523-E527 IonicContact NZ-OE1 3.66Å; K523-E527 WeakPolarHBondContact O-CB 3.45Å; K523-E527 WeakPolarHBondContact O-CG 3.41Å; K523-E527 PolarHBondContact O-N 3.42Å
524	F	88.1	Confident	85.1	Confident	4 Å²	4	57.1 Å²	57.1	2%	0.018	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-47.1	-177.8	176.4	-104.6	0	0	0	112	K260 F520 V521 K526 E527 M528 F590	K260-F524 HydrophobicContact CB-CE2 3.79Å; K260-F524 HydrophobicContact CB-CZ 3.57Å; K260-F524 HydrophobicContact CD-CZ 4.47Å; K260-F524 HydrophobicContact CG-CZ 3.86Å; F520-F524 HydrophobicContact CD1-CB 4.35Å; F520-F524 HydrophobicContact CE1-CB 4.09Å; F520-F524 HydrophobicContact CE1-CD2 4.34Å; F520-F524 HydrophobicContact CE1-CG 4.21Å; F520-F524 HydrophobicContact CZ-CD2 4.44Å; F520-F524 WeakPolarHBondContact O-CB 3.34Å; F520-F524 PolarHBondContact O-N 2.95Å; V521-F524 PolarHBondContact O-N 2.83Å; F524-K526 PolarHBondContact O-N 3.35Å; F524-E527 PolarHBondContact O-N 3.22Å; F524-M528 HydrophobicContact CD1-CE 3.52Å; F524-M528 HydrophobicContact CD1-SD 4.14Å; F524-M528 HydrophobicContact CE1-CE 3.18Å; F524-M528 HydrophobicContact CE1-CG 4.33Å; F524-M528 HydrophobicContact CE1-SD 3.39Å; F524-M528 WeakPolarHBondContact CE1-SD 3.41Å; F524-M528 HydrophobicContact CE2-CG 4.24Å; F524-M528 HydrophobicContact CE2-SD 4.07Å; F524-M528 HydrophobicContact CG-CE 4.39Å; F524-M528 HydrophobicContact CZ-CE 3.84Å; F524-M528 HydrophobicContact CZ-CG 4.1Å; F524-M528 HydrophobicContact CZ-SD 3.34Å; F524-M528 WeakPolarHBondContact CZ-SD 3.23Å; F524-M528 WeakPolarHBondContact O-CG 3.13Å; F524-M528 PolarHBondContact O-N 3.47Å; F524-F590 AromaticContact CE1-CE1 3.65Å; F524-F590 HydrophobicContact CE1-CE1 3.65Å; F524-F590 AromaticContact CE1-CZ 3.73Å; F524-F590 HydrophobicContact CE1-CZ 3.73Å; F524-F590 AromaticContact CZ-CE1 3.69Å; F524-F590 HydrophobicContact CZ-CE1 3.69Å; F524-F590 HydrophobicContact CZ-CZ 4.21Å
525	I	87	Confident	84.1	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.015	30%	0.301	C	S	.	.	H	α-helix	trans	-57.5	-49.8	175.1	-68.2	169.9	0	0	0	110.3	V521 E527 M528 E529 L558 E562	V521-I525 HydrophobicContact CG1-CD1 3.75Å; V521-I525 HydrophobicContact CG1-CG1 4.38Å; V521-I525 WeakPolarHBondContact O-CG1 3.31Å; V521-I525 PolarHBondContact O-N 2.94Å; I525-E527 PolarHBondContact O-N 2.83Å; I525-M528 HydrophobicContact CG1-CE 4.43Å; I525-M528 PolarHBondContact O-N 3.49Å; I525-E529 WeakPolarHBondContact O-CG 3.35Å; I525-E529 PolarHBondContact O-N 2.73Å; I525-L558 HydrophobicContact CD1-CB 4.14Å; I525-L558 HydrophobicContact CD1-CD1 4.5Å; I525-E562 HydrophobicContact CD1-CG 4.43Å
526	K	87.6	Confident	83.4	Confident	134 Å²	134	58 Å²	58	58%	0.583	27%	0.273	S	S	*	.	H	α-helix	trans	-60.1	-42.6	179.5	-175.5	177.8	-179.4	177.3	0	112.8	T522 K523 F524 L530	T522-K526 WeakPolarHBondContact O-CB 3.37Å; T522-K526 PolarHBondContact O-N 2.93Å; K523-K526 PolarHBondContact O-N 3.35Å; F524-K526 PolarHBondContact O-N 3.35Å; K526-L530 HydrophobicContact CG-CD1 4.04Å; K526-L530 WeakPolarHBondContact O-CB 3.2Å; K526-L530 VanDerWaalsContact O-CG 3.24Å; K526-L530 WeakPolarHBondContact O-CG 3.41Å; K526-L530 PolarHBondContact O-N 2.03Å
527	E	85	Confident	82.1	Confident	73 Å²	73	63 Å²	63	34%	0.341	30%	0.295	S	S	.	.	H	α-helix	trans	-65.1	-42	177.2	-77.9	179.6	179.4	0	0	112	R261 K523 F524 I525 L530 S531	R261-E527 IonicContact CZ-OE2 3.32Å; R261-E527 IonicContact NH2-OE2 3.09Å; R261-E527 PolarHBondContact NH2-OE2 3.34Å; K523-E527 WeakPolarHBondContact CE-OE1 3.35Å; K523-E527 HydrophobicContact CG-CG 4.43Å; K523-E527 IonicContact NZ-OE1 3.66Å; K523-E527 WeakPolarHBondContact O-CB 3.45Å; K523-E527 WeakPolarHBondContact O-CG 3.41Å; K523-E527 PolarHBondContact O-N 3.42Å; F524-E527 PolarHBondContact O-N 3.22Å; I525-E527 PolarHBondContact O-N 2.83Å; E527-L530 PolarHBondContact O-N 3.49Å; E527-S531 VanDerWaalsContact O-CB 3.27Å; E527-S531 WeakPolarHBondContact O-CB 3.06Å; E527-S531 PolarHBondContact O-N 3.42Å; E527-S531 PolarHBondContact O-OG 2.91Å; E527-S531 VanDerWaalsContact O-OG 3.11Å
528	M	80	Confident	80.5	Confident	22 Å²	22	68.6 Å²	68.6	11%	0.108	33%	0.334	C	S	.	.	H	α-helix	trans	-61.4	-47.3	176.5	-75	-168.2	-58.5	0	0	111.4	K260 F524 I525 L530 S531 G532 M551 I554	K260-M528 HydrophobicContact CD-SD 4.42Å; F524-M528 HydrophobicContact CD1-CE 3.52Å; F524-M528 HydrophobicContact CD1-SD 4.14Å; F524-M528 HydrophobicContact CE1-CE 3.18Å; F524-M528 HydrophobicContact CE1-CG 4.33Å; F524-M528 HydrophobicContact CE1-SD 3.39Å; F524-M528 WeakPolarHBondContact CE1-SD 3.41Å; F524-M528 HydrophobicContact CE2-CG 4.24Å; F524-M528 HydrophobicContact CE2-SD 4.07Å; F524-M528 HydrophobicContact CG-CE 4.39Å; F524-M528 HydrophobicContact CZ-CE 3.84Å; F524-M528 HydrophobicContact CZ-CG 4.1Å; F524-M528 HydrophobicContact CZ-SD 3.34Å; F524-M528 WeakPolarHBondContact CZ-SD 3.23Å; F524-M528 WeakPolarHBondContact O-CG 3.13Å; F524-M528 PolarHBondContact O-N 3.47Å; I525-M528 HydrophobicContact CG1-CE 4.43Å; I525-M528 PolarHBondContact O-N 3.49Å; M528-L530 PolarHBondContact O-N 3.07Å; M528-S531 PolarHBondContact O-N 3.2Å; M528-S531 PolarHBondContact O-OG 2.04Å; M528-G532 PolarHBondContact O-N 3.21Å; M528-M551 HydrophobicContact CB-CE 3.8Å; M528-M551 HydrophobicContact CB-SD 4Å; M528-M551 HydrophobicContact CE-CE 4.19Å; M528-I554 HydrophobicContact CE-CG2 3.94Å; M528-I554 HydrophobicContact SD-CD1 4.41Å
529	E	82.9	Confident	79.3	Confident	59 Å²	59	70.7 Å²	70.7	28%	0.276	35%	0.347	S	S	.	.	H	α-helix	trans	-57.5	-51.8	176.2	-71.4	178.8	151.7	0	0	111.5	I525 S531 G532 Y533 M551 R555	I525-E529 WeakPolarHBondContact O-CG 3.35Å; I525-E529 PolarHBondContact O-N 2.73Å; E529-S531 VanDerWaalsContact C-N 3.34Å; E529-S531 PolarHBondContact O-N 3.16Å; E529-G532 PolarHBondContact O-N 3.49Å; E529-Y533 HydrophobicContact CB-CD2 4.44Å; E529-Y533 WeakPolarHBondContact O-CB 3.01Å; E529-Y533 WeakPolarHBondContact O-CD2 3.03Å; E529-Y533 PolarHBondContact O-N 2.92Å; E529-M551 HydrophobicContact CG-CE 3.71Å; E529-R555 IonicContact OE1-CZ 2.64Å; E529-R555 IonicContact OE1-NH1 3.99Å; E529-R555 PolarHBondContact OE1-NH1 3.33Å; E529-R555 IonicContact OE2-NH1 2.84Å
530	L	83.2	Confident	78.3	Confident	113 Å²	113	70.6 Å²	70.6	59%	0.592	36%	0.356	S	S	*	.	H	α-helix	trans	-59.9	-44.4	-179.8	-72.5	170.1	0	0	0	111.9	K526 E527 M528 S534	K526-L530 HydrophobicContact CG-CD1 4.04Å; K526-L530 WeakPolarHBondContact O-CB 3.2Å; K526-L530 VanDerWaalsContact O-CG 3.24Å; K526-L530 WeakPolarHBondContact O-CG 3.41Å; K526-L530 PolarHBondContact O-N 2.03Å; E527-L530 PolarHBondContact O-N 3.49Å; M528-L530 PolarHBondContact O-N 3.07Å; L530-S534 VanDerWaalsContact O-CB 3.27Å; L530-S534 WeakPolarHBondContact O-CB 3.31Å; L530-S534 PolarHBondContact O-N 3.36Å; L530-S534 VanDerWaalsContact O-N 3.07Å; L530-S534 PolarHBondContact O-OG 2.91Å
531	S	76.5	Confident	77.7	Confident	49 Å²	49	76.9 Å²	76.9	34%	0.343	39%	0.39	S	S	.	.	H	α-helix	trans	-67.7	-43.2	-179.3	71.6	0	0	0	0	111.8	E527 M528 E529 S534 R535	E527-S531 VanDerWaalsContact O-CB 3.27Å; E527-S531 WeakPolarHBondContact O-CB 3.06Å; E527-S531 PolarHBondContact O-N 3.42Å; E527-S531 PolarHBondContact O-OG 2.91Å; E527-S531 VanDerWaalsContact O-OG 3.11Å; M528-S531 PolarHBondContact O-N 3.2Å; M528-S531 PolarHBondContact O-OG 2.04Å; E529-S531 VanDerWaalsContact C-N 3.34Å; E529-S531 PolarHBondContact O-N 3.16Å; S531-S534 PolarHBondContact O-N 3.11Å; S531-S534 PolarHBondContact O-OG 3.5Å; S531-R535 WeakPolarHBondContact O-CG 3.49Å; S531-R535 PolarHBondContact O-N 3.17Å; S531-R535 VanDerWaalsContact O-N 3.16Å
532	G	74.4	Confident	77.1	Confident	5 Å²	5	83.6 Å²	83.6	5%	0.052	42%	0.421	C	S	.	.	H	α-helix	trans	-67.2	-49.1	179.7	0	0	0	0	0	112.8	M528 E529 S534 R535 L536 F547	M528-G532 PolarHBondContact O-N 3.21Å; E529-G532 PolarHBondContact O-N 3.49Å; G532-S534 PolarHBondContact O-N 3.45Å; G532-R535 PolarHBondContact O-N 2.93Å; G532-R535 VanDerWaalsContact O-N 3.08Å; G532-L536 WeakPolarHBondContact O-CG 3.2Å; G532-L536 PolarHBondContact O-N 3.11Å; G532-L536 VanDerWaalsContact O-N 3.16Å; G532-F547 VanDerWaalsContact CA-CZ 3.45Å
533	Y	74	Confident	76.7	Confident	119 Å²	119	83.9 Å²	83.9	47%	0.467	42%	0.423	S	S	.	.	H	α-helix	trans	-60.6	-33.3	174.8	-78.5	-64.8	0	0	0	112.4	E529 L536 L544 F547 N548	E529-Y533 HydrophobicContact CB-CD2 4.44Å; E529-Y533 WeakPolarHBondContact O-CB 3.01Å; E529-Y533 WeakPolarHBondContact O-CD2 3.03Å; E529-Y533 PolarHBondContact O-N 2.92Å; Y533-L536 PolarHBondContact O-N 3.27Å; Y533-L544 HydrophobicContact CD1-CD1 4.24Å; Y533-L544 HydrophobicContact CE1-CD1 3.78Å; Y533-F547 HydrophobicContact CE2-CE1 4.45Å; Y533-N548 PolarHBondContact OH-OD1 3.42Å
534	S	70.4	Confident	76.2	Confident	64 Å²	64	82.4 Å²	82.4	45%	0.448	42%	0.419	S	S	.	.	H	α-helix	trans	-67.1	-33.7	176.1	76.8	0	0	0	0	113.5	L530 S531 G532	L530-S534 VanDerWaalsContact O-CB 3.27Å; L530-S534 WeakPolarHBondContact O-CB 3.31Å; L530-S534 PolarHBondContact O-N 3.36Å; L530-S534 VanDerWaalsContact O-N 3.07Å; L530-S534 PolarHBondContact O-OG 2.91Å; S531-S534 PolarHBondContact O-N 3.11Å; S531-S534 PolarHBondContact O-OG 3.5Å; G532-S534 PolarHBondContact O-N 3.45Å
535	R	69	Low	75.9	Confident	157 Å²	157	85.3 Å²	85.3	59%	0.592	44%	0.44	S	S	*	.	H	α-helix	trans	-73.1	-29.6	176.5	-69.2	175.5	-169.6	-161.2	-1.9	112.1	E278 S531 G532	E278-R535 IonicContact OE1-CZ 3.11Å; E278-R535 IonicContact OE1-NH1 2.76Å; E278-R535 IonicContact OE1-NH2 3.86Å; E278-R535 PolarHBondContact OE1-NH2 2.97Å; S531-R535 WeakPolarHBondContact O-CG 3.49Å; S531-R535 PolarHBondContact O-N 3.17Å; S531-R535 VanDerWaalsContact O-N 3.16Å; G532-R535 PolarHBondContact O-N 2.93Å; G532-R535 VanDerWaalsContact O-N 3.08Å
536	L	72.7	Confident	75.6	Confident	36 Å²	36	88.3 Å²	88.3	19%	0.188	46%	0.455	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	8.3	-175.5	-64	166.1	0	0	0	114.2	G532 Y533 S538 T539 L544 F547	G532-L536 WeakPolarHBondContact O-CG 3.2Å; G532-L536 PolarHBondContact O-N 3.11Å; G532-L536 VanDerWaalsContact O-N 3.16Å; Y533-L536 PolarHBondContact O-N 3.27Å; L536-S538 PolarHBondContact O-N 2.96Å; L536-T539 HydrophobicContact CD2-CG2 4.5Å; L536-T539 WeakPolarHBondContact CD2-OG1 3.39Å; L536-T539 PolarHBondContact O-N 3.45Å; L536-T539 PolarHBondContact O-OG1 3.32Å; L536-L544 HydrophobicContact CD1-CD1 3.94Å; L536-F547 HydrophobicContact CD1-CB 3.57Å; L536-F547 HydrophobicContact CD1-CD1 3.55Å; L536-F547 HydrophobicContact CD1-CD2 4.06Å; L536-F547 HydrophobicContact CD1-CE1 4.28Å; L536-F547 HydrophobicContact CD1-CG 3.42Å; L536-F547 VanDerWaalsContact CD1-CG 3.42Å
537	K	61.2	Low	75.3	Confident	183 Å²	183	83.8 Å²	83.8	80%	0.796	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	3.6	-177.4	-82.6	-175.4	174	-176.4	0	115.8
538	S	57.6	Low	75.2	Confident	118 Å²	118	83.3 Å²	83.3	83%	0.825	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-149.9	16.6	179	-172.7	0	0	0	0	114.9	L536	L536-S538 PolarHBondContact O-N 2.96Å
539	T	65.2	Low	75.3	Confident	67 Å²	67	87.5 Å²	87.5	41%	0.411	46%	0.455	S	S	.	.			trans	-110.2	156.4	-169.8	57.5	0	0	0	0	114.1	L536 T543	L536-T539 HydrophobicContact CD2-CG2 4.5Å; L536-T539 WeakPolarHBondContact CD2-OG1 3.39Å; L536-T539 PolarHBondContact O-N 3.45Å; L536-T539 PolarHBondContact O-OG1 3.32Å; T539-T543 WeakPolarHBondContact CB-OG1 3.1Å; T539-T543 PolarHBondContact OG1-OG1 3.2Å
540	N	69.9	Low	75.2	Confident	128 Å²	128	87 Å²	87	68%	0.684	45%	0.45	S	S	*	.			trans	-60	152.9	-176.8	-62.6	-6.7	0	0	0	112.3	E542 T543 L544	N540-E542 PolarHBondContact O-N 3.47Å; N540-T543 PolarHBondContact O-N 3.28Å; N540-T543 PolarHBondContact O-OG1 2.97Å; N540-L544 PolarHBondContact O-N 3.02Å
541	N	77.6	Confident	75.2	Confident	144 Å²	144	82.7 Å²	82.7	77%	0.77	43%	0.427	S	S	*	.	H	α-helix	trans	-48.5	-34.5	178.7	-74.4	-12.9	0	0	0	114	L544 S545	N541-L544 PolarHBondContact O-N 3.2Å; N541-S545 PolarHBondContact O-N 3.24Å; N541-S545 PolarHBondContact O-OG 3.29Å
542	E	78.7	Confident	75.6	Confident	141 Å²	141	85.2 Å²	85.2	66%	0.659	43%	0.434	S	S	*	.	H	α-helix	trans	-64.6	-40.4	178.3	-173.3	178.7	-175	0	0	113.1	N540 L544 S545 I546	N540-E542 PolarHBondContact O-N 3.47Å; E542-L544 VanDerWaalsContact C-N 3.26Å; E542-L544 PolarHBondContact O-N 3.5Å; E542-S545 WeakPolarHBondContact CA-OG 3.26Å; E542-S545 PolarHBondContact O-N 3.29Å; E542-S545 PolarHBondContact O-OG 3Å; E542-I546 HydrophobicContact CG-CD1 4.15Å; E542-I546 VanDerWaalsContact O-CG1 3.29Å; E542-I546 WeakPolarHBondContact O-CG1 3.16Å; E542-I546 PolarHBondContact O-N 2.91Å
543	T	79.2	Confident	75.9	Confident	55 Å²	55	87.9 Å²	87.9	34%	0.337	45%	0.445	S	S	.	.	H	α-helix	trans	-66	-34.6	176.8	61.2	0	0	0	0	111.6	T539 N540 F547	T539-T543 WeakPolarHBondContact CB-OG1 3.1Å; T539-T543 PolarHBondContact OG1-OG1 3.2Å; N540-T543 PolarHBondContact O-N 3.28Å; N540-T543 PolarHBondContact O-OG1 2.97Å; T543-F547 WeakPolarHBondContact O-CB 3.43Å; T543-F547 PolarHBondContact O-N 3.35Å
544	L	80.2	Confident	76.4	Confident	57 Å²	57	82.8 Å²	82.8	30%	0.298	43%	0.426	S	S	.	.	H	α-helix	trans	-70.8	-40.8	176.8	-179.4	65.4	0	0	0	111.3	Y533 L536 N540 N541 E542 F547 N548	Y533-L544 HydrophobicContact CD1-CD1 4.24Å; Y533-L544 HydrophobicContact CE1-CD1 3.78Å; L536-L544 HydrophobicContact CD1-CD1 3.94Å; N540-L544 PolarHBondContact O-N 3.02Å; N541-L544 PolarHBondContact O-N 3.2Å; E542-L544 VanDerWaalsContact C-N 3.26Å; E542-L544 PolarHBondContact O-N 3.5Å; L544-F547 PolarHBondContact O-N 3.16Å; L544-N548 WeakPolarHBondContact O-CB 3.48Å; L544-N548 VanDerWaalsContact O-CG 3.24Å; L544-N548 PolarHBondContact O-N 3.05Å; L544-N548 PolarHBondContact O-ND2 2.73Å
545	S	81.6	Confident	77.2	Confident	64 Å²	64	83.3 Å²	83.3	45%	0.448	42%	0.418	S	S	.	.	H	α-helix	trans	-63.3	-43.4	175.7	56.7	0	0	0	0	111.8	N541 E542 F547 N548 E549	N541-S545 PolarHBondContact O-N 3.24Å; N541-S545 PolarHBondContact O-OG 3.29Å; E542-S545 WeakPolarHBondContact CA-OG 3.26Å; E542-S545 PolarHBondContact O-N 3.29Å; E542-S545 PolarHBondContact O-OG 3Å; S545-F547 VanDerWaalsContact C-N 3.32Å; S545-F547 PolarHBondContact O-N 3.36Å; S545-N548 PolarHBondContact O-N 2.83Å; S545-E549 WeakPolarHBondContact O-CB 3.21Å; S545-E549 PolarHBondContact O-N 3.25Å
546	I	79.7	Confident	78.1	Confident	66 Å²	66	82.7 Å²	82.7	34%	0.338	42%	0.419	S	S	.	.	H	α-helix	trans	-62.1	-41.5	176.2	-67.1	165.5	0	0	0	110.9	E542 R550	E542-I546 HydrophobicContact CG-CD1 4.15Å; E542-I546 VanDerWaalsContact O-CG1 3.29Å; E542-I546 WeakPolarHBondContact O-CG1 3.16Å; E542-I546 PolarHBondContact O-N 2.91Å; I546-R550 WeakPolarHBondContact O-CG 3.41Å; I546-R550 PolarHBondContact O-N 3.43Å; I546-R550 VanDerWaalsContact O-N 3.11Å
547	F	81.6	Confident	78.7	Confident	39 Å²	39	83.1 Å²	83.1	17%	0.171	43%	0.425	C	S	.	.	H	α-helix	trans	-63.2	-47.6	176.3	173.5	-100.5	0	0	0	112	G532 Y533 L536 T543 L544 S545 E549 R550 M551	G532-F547 VanDerWaalsContact CA-CZ 3.45Å; Y533-F547 HydrophobicContact CE2-CE1 4.45Å; L536-F547 HydrophobicContact CD1-CB 3.57Å; L536-F547 HydrophobicContact CD1-CD1 3.55Å; L536-F547 HydrophobicContact CD1-CD2 4.06Å; L536-F547 HydrophobicContact CD1-CE1 4.28Å; L536-F547 HydrophobicContact CD1-CG 3.42Å; L536-F547 VanDerWaalsContact CD1-CG 3.42Å; T543-F547 WeakPolarHBondContact O-CB 3.43Å; T543-F547 PolarHBondContact O-N 3.35Å; L544-F547 PolarHBondContact O-N 3.16Å; S545-F547 VanDerWaalsContact C-N 3.32Å; S545-F547 PolarHBondContact O-N 3.36Å; F547-E549 VanDerWaalsContact C-N 3.33Å; F547-E549 PolarHBondContact O-N 3.44Å; F547-R550 PolarHBondContact O-N 2.91Å; F547-M551 HydrophobicContact CD1-CG 4.15Å; F547-M551 HydrophobicContact CD2-CG 4.25Å; F547-M551 HydrophobicContact CE1-CG 3.58Å; F547-M551 HydrophobicContact CE2-CG 3.67Å; F547-M551 HydrophobicContact CE2-SD 4.01Å; F547-M551 HydrophobicContact CG-CG 4.45Å; F547-M551 HydrophobicContact CZ-CG 3.28Å; F547-M551 HydrophobicContact CZ-SD 3.76Å; F547-M551 WeakPolarHBondContact O-CB 3.45Å; F547-M551 WeakPolarHBondContact O-CG 3.49Å; F547-M551 PolarHBondContact O-N 3.27Å
548	N	83.5	Confident	80.1	Confident	64 Å²	64	74.6 Å²	74.6	34%	0.342	39%	0.387	S	S	.	.	H	α-helix	trans	-62	-41	179.1	-70.7	-20.6	0	0	0	111.4	Y533 L544 S545 M551 E552	Y533-N548 PolarHBondContact OH-OD1 3.42Å; L544-N548 WeakPolarHBondContact O-CB 3.48Å; L544-N548 VanDerWaalsContact O-CG 3.24Å; L544-N548 PolarHBondContact O-N 3.05Å; L544-N548 PolarHBondContact O-ND2 2.73Å; S545-N548 PolarHBondContact O-N 2.83Å; N548-M551 PolarHBondContact O-N 3.36Å; N548-E552 WeakPolarHBondContact O-CB 3.43Å; N548-E552 PolarHBondContact O-N 2.85Å
549	E	82.3	Confident	81.7	Confident	110 Å²	110	73.9 Å²	73.9	51%	0.514	37%	0.371	S	S	.	.	H	α-helix	trans	-58.5	-49.3	175.6	-173.7	-178.5	-177.6	0	0	111.2	S545 F547 M551 E552 E553	S545-E549 WeakPolarHBondContact O-CB 3.21Å; S545-E549 PolarHBondContact O-N 3.25Å; F547-E549 VanDerWaalsContact C-N 3.33Å; F547-E549 PolarHBondContact O-N 3.44Å; E549-M551 VanDerWaalsContact C-N 3.34Å; E549-M551 PolarHBondContact O-N 3.12Å; E549-E552 PolarHBondContact O-N 2.98Å; E549-E553 WeakPolarHBondContact O-CG 3.45Å; E549-E553 PolarHBondContact O-N 3.19Å
550	R	80.3	Confident	82.9	Confident	49 Å²	49	72.3 Å²	72.3	19%	0.185	36%	0.362	C	S	.	.	H	α-helix	trans	-63.8	-37.7	177.3	-76.1	174.3	158.7	176.1	-11.9	113.4	T254 E256 D257 I546 F547 E552 E553 I554	T254-R550 PolarHBondContact OG1-NH2 3.01Å; T254-R550 VanDerWaalsContact OG1-NH2 3.13Å; E256-R550 IonicContact OE2-CZ 3.81Å; E256-R550 IonicContact OE2-NH1 3.97Å; E256-R550 PolarHBondContact OE2-NH1 3.19Å; E256-R550 IonicContact OE2-NH2 2.65Å; D257-R550 IonicContact OD1-NE 2.76Å; D257-R550 IonicContact OD1-NH2 3.12Å; I546-R550 WeakPolarHBondContact O-CG 3.41Å; I546-R550 PolarHBondContact O-N 3.43Å; I546-R550 VanDerWaalsContact O-N 3.11Å; F547-R550 PolarHBondContact O-N 2.91Å; R550-E552 VanDerWaalsContact C-N 3.33Å; R550-E553 PolarHBondContact O-N 3.02Å; R550-I554 PolarHBondContact O-N 2.91Å
551	M	83	Confident	84	Confident	22 Å²	22	66.2 Å²	66.2	11%	0.108	33%	0.329	C	S	.	.	H	α-helix	trans	-64.6	-42	175.7	-79.5	-59.4	-55.2	0	0	111	M528 E529 F547 N548 E549 E553 I554 R555	M528-M551 HydrophobicContact CB-CE 3.8Å; M528-M551 HydrophobicContact CB-SD 4Å; M528-M551 HydrophobicContact CE-CE 4.19Å; E529-M551 HydrophobicContact CG-CE 3.71Å; F547-M551 HydrophobicContact CD1-CG 4.15Å; F547-M551 HydrophobicContact CD2-CG 4.25Å; F547-M551 HydrophobicContact CE1-CG 3.58Å; F547-M551 HydrophobicContact CE2-CG 3.67Å; F547-M551 HydrophobicContact CE2-SD 4.01Å; F547-M551 HydrophobicContact CG-CG 4.45Å; F547-M551 HydrophobicContact CZ-CG 3.28Å; F547-M551 HydrophobicContact CZ-SD 3.76Å; F547-M551 WeakPolarHBondContact O-CB 3.45Å; F547-M551 WeakPolarHBondContact O-CG 3.49Å; F547-M551 PolarHBondContact O-N 3.27Å; N548-M551 PolarHBondContact O-N 3.36Å; E549-M551 VanDerWaalsContact C-N 3.34Å; E549-M551 PolarHBondContact O-N 3.12Å; M551-E553 VanDerWaalsContact C-N 3.34Å; M551-E553 PolarHBondContact O-N 3.11Å; M551-I554 PolarHBondContact O-N 3.44Å; M551-R555 VanDerWaalsContact O-CB 3.28Å; M551-R555 WeakPolarHBondContact O-CB 3.33Å; M551-R555 PolarHBondContact O-N 3.24Å
552	E	85.6	Confident	84.6	Confident	102 Å²	102	61.4 Å²	61.4	48%	0.477	30%	0.302	S	S	.	.	H	α-helix	trans	-65.7	-37.4	178.2	-170.6	57.4	-155.1	0	0	111.9	N548 E549 R550 I554 R555 K556	N548-E552 WeakPolarHBondContact O-CB 3.43Å; N548-E552 PolarHBondContact O-N 2.85Å; E549-E552 PolarHBondContact O-N 2.98Å; R550-E552 VanDerWaalsContact C-N 3.33Å; E552-I554 PolarHBondContact O-N 3.09Å; E552-R555 PolarHBondContact O-N 2.69Å; E552-K556 VanDerWaalsContact O-CB 3.3Å; E552-K556 WeakPolarHBondContact O-CB 3.49Å; E552-K556 PolarHBondContact O-N 3.2Å
553	E	81.2	Confident	85.3	Confident	61 Å²	61	58.2 Å²	58.2	29%	0.285	29%	0.289	S	S	.	.	H	α-helix	trans	-58.2	-32.6	174.7	-74.8	-175.7	151	0	0	113.1	R197 E549 R550 M551 P557	R197-E553 IonicContact NH1-OE1 2.96Å; E549-E553 WeakPolarHBondContact O-CG 3.45Å; E549-E553 PolarHBondContact O-N 3.19Å; R550-E553 PolarHBondContact O-N 3.02Å; M551-E553 VanDerWaalsContact C-N 3.34Å; M551-E553 PolarHBondContact O-N 3.11Å; E553-P557 WeakPolarHBondContact O-CD 3.26Å; E553-P557 WeakPolarHBondContact O-CG 3.3Å
554	I	84.1	Confident	86	Confident	12 Å²	12	55.7 Å²	55.7	6%	0.062	27%	0.274	C	S	.	.	H	α-helix	trans	-88.3	-38.3	176.7	-59.2	165	0	0	0	111.1	K260 M528 R550 M551 E552 P557 L558	K260-I554 HydrophobicContact CD-CD1 4.35Å; M528-I554 HydrophobicContact CE-CG2 3.94Å; M528-I554 HydrophobicContact SD-CD1 4.41Å; R550-I554 PolarHBondContact O-N 2.91Å; M551-I554 PolarHBondContact O-N 3.44Å; E552-I554 PolarHBondContact O-N 3.09Å; I554-P557 WeakPolarHBondContact O-CD 3.48Å; I554-L558 HydrophobicContact CG2-CD1 3.91Å; I554-L558 VanDerWaalsContact O-CG 3.3Å; I554-L558 WeakPolarHBondContact O-CG 3.48Å
555	R	87.1	Confident	86.6	Confident	74 Å²	74	53.6 Å²	53.6	28%	0.279	26%	0.264	S	S	.	.	H	α-helix	trans	-68	-45.5	-175.6	-172.7	-179.6	-174.5	121.1	13.3	111.6	E529 M551 E552 L558 Q559 E562	E529-R555 IonicContact OE1-CZ 2.64Å; E529-R555 IonicContact OE1-NH1 3.99Å; E529-R555 PolarHBondContact OE1-NH1 3.33Å; E529-R555 IonicContact OE2-NH1 2.84Å; M551-R555 VanDerWaalsContact O-CB 3.28Å; M551-R555 WeakPolarHBondContact O-CB 3.33Å; M551-R555 PolarHBondContact O-N 3.24Å; E552-R555 PolarHBondContact O-N 2.69Å; R555-L558 CarbonylContact O-C 3.55Å; R555-L558 WeakPolarHBondContact O-CA 3.41Å; R555-L558 PolarHBondContact O-N 2.99Å; R555-Q559 PolarHBondContact O-N 2.88Å; R555-E562 IonicContact CZ-OE1 3.98Å; R555-E562 IonicContact CZ-OE2 3.58Å; R555-E562 IonicContact NE-OE2 3.61Å; R555-E562 IonicContact NH2-OE1 3.87Å; R555-E562 PolarHBondContact NH2-OE1 2.89Å; R555-E562 IonicContact NH2-OE2 3.21Å; R555-E562 PolarHBondContact NH2-OE2 3.35Å; R555-E562 VanDerWaalsContact NH2-OE2 3.09Å
556	K	87.2	Confident	87.1	Confident	144 Å²	144	54.4 Å²	54.4	63%	0.626	26%	0.264	S	S	*	.	H	α-helix	trans	-58.5	-48.7	-174.4	178.4	-178.4	-179	-177.8	0	112.7	E552 L558 Q559	E552-K556 VanDerWaalsContact O-CB 3.3Å; E552-K556 WeakPolarHBondContact O-CB 3.49Å; E552-K556 PolarHBondContact O-N 3.2Å; K556-L558 PolarHBondContact O-N 3.39Å; K556-Q559 WeakPolarHBondContact O-CB 3.48Å; K556-Q559 PolarHBondContact O-N 3.47Å
557	P	86.7	Confident	87.8	Confident	46 Å²	46	52.3 Å²	52.3	30%	0.299	25%	0.253	S	S	.	.	H	α-helix	trans	-63.6	-26.3	174.2	-22.7	34.1	0	0	0	114	E553 I554 P560 I585	E553-P557 WeakPolarHBondContact O-CD 3.26Å; E553-P557 WeakPolarHBondContact O-CG 3.3Å; I554-P557 WeakPolarHBondContact O-CD 3.48Å; P557-P560 WeakPolarHBondContact O-CD 3.49Å; P557-I585 HydrophobicContact CB-CG2 3.88Å; P557-I585 WeakPolarHBondContact O-CD1 3.49Å
558	L	90.1	Very high	88.3	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-90.9	-7.5	-177.6	-64.8	-178.9	0	0	0	114.2	V521 I525 I554 R555 K556 P560 Y561 I585 F586 F590	V521-L558 HydrophobicContact CG1-CB 3.98Å; V521-L558 HydrophobicContact CG1-CD1 4.22Å; V521-L558 HydrophobicContact CG1-CG 4.49Å; I525-L558 HydrophobicContact CD1-CB 4.14Å; I525-L558 HydrophobicContact CD1-CD1 4.5Å; I554-L558 HydrophobicContact CG2-CD1 3.91Å; I554-L558 VanDerWaalsContact O-CG 3.3Å; I554-L558 WeakPolarHBondContact O-CG 3.48Å; R555-L558 CarbonylContact O-C 3.55Å; R555-L558 WeakPolarHBondContact O-CA 3.41Å; R555-L558 PolarHBondContact O-N 2.99Å; K556-L558 PolarHBondContact O-N 3.39Å; L558-P560 VanDerWaalsContact C-N 3.3Å; L558-Y561 HydrophobicContact CB-CD2 4.4Å; L558-Y561 HydrophobicContact CD2-CD2 3.94Å; L558-Y561 HydrophobicContact CD2-CE2 3.84Å; L558-Y561 WeakPolarHBondContact O-CB 3.3Å; L558-Y561 WeakPolarHBondContact O-CD2 3.47Å; L558-Y561 PolarHBondContact O-N 2.89Å; L558-I585 HydrophobicContact CD2-CG2 4.49Å; L558-F586 HydrophobicContact CD2-CB 4.43Å; L558-F586 HydrophobicContact CD2-CD2 4.06Å; L558-F590 HydrophobicContact CD1-CE2 4.15Å; L558-F590 HydrophobicContact CD1-CZ 4.2Å; L558-F590 HydrophobicContact CD2-CE2 4.24Å
559	Q	90	Very high	88.8	Confident	103 Å²	103	58.6 Å²	58.6	48%	0.481	28%	0.283	S	S	.	.	H	α-helix	trans	-50.7	-38.3	178.7	-172	-176.9	-4.1	0	0	114.4	R555 K556 Y561 E562 I563	R555-Q559 PolarHBondContact O-N 2.88Å; K556-Q559 WeakPolarHBondContact O-CB 3.48Å; K556-Q559 PolarHBondContact O-N 3.47Å; Q559-Y561 PolarHBondContact O-N 3.27Å; Q559-Y561 VanDerWaalsContact O-N 3.13Å; Q559-E562 WeakPolarHBondContact O-CB 3.16Å; Q559-E562 PolarHBondContact O-N 3.49Å; Q559-I563 HydrophobicContact CG-CD1 4.42Å; Q559-I563 PolarHBondContact O-N 3.03Å
560	P	92.1	Very high	89.4	Confident	34 Å²	34	59.4 Å²	59.4	22%	0.221	29%	0.286	C	S	.	.	H	α-helix	trans	-53.7	-34.1	176.1	-28.6	37.3	0	0	0	113.6	P557 L558 I563 I564 T583 I585	P557-P560 WeakPolarHBondContact O-CD 3.49Å; L558-P560 VanDerWaalsContact C-N 3.3Å; P560-I563 PolarHBondContact O-N 3.41Å; P560-I564 WeakPolarHBondContact O-CD1 3.45Å; P560-I564 WeakPolarHBondContact O-CG1 3.5Å; P560-I564 PolarHBondContact O-N 2.88Å; P560-T583 HydrophobicContact CB-CG2 4.12Å; P560-I585 HydrophobicContact CG-CD1 4.3Å
561	Y	92.6	Very high	90	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-71.8	-30.4	178.7	-59.9	-72	0	0	0	113.3	L517 V521 L558 Q559 I564 A565 L580 T583 I585 F586 E587	L517-Y561 HydrophobicContact CD1-CE1 4.24Å; L517-Y561 HydrophobicContact CD2-CD1 4.02Å; L517-Y561 HydrophobicContact CD2-CE1 3.25Å; L517-Y561 HydrophobicContact CG-CD1 3.88Å; L517-Y561 HydrophobicContact CG-CE1 3.59Å; V521-Y561 HydrophobicContact CB-CG 4.41Å; V521-Y561 HydrophobicContact CG1-CD2 4.22Å; V521-Y561 HydrophobicContact CG1-CG 4.32Å; V521-Y561 HydrophobicContact CG2-CD2 4.07Å; V521-Y561 HydrophobicContact CG2-CG 4.11Å; L558-Y561 HydrophobicContact CB-CD2 4.4Å; L558-Y561 HydrophobicContact CD2-CD2 3.94Å; L558-Y561 HydrophobicContact CD2-CE2 3.84Å; L558-Y561 WeakPolarHBondContact O-CB 3.3Å; L558-Y561 WeakPolarHBondContact O-CD2 3.47Å; L558-Y561 PolarHBondContact O-N 2.89Å; Q559-Y561 PolarHBondContact O-N 3.27Å; Q559-Y561 VanDerWaalsContact O-N 3.13Å; Y561-I564 HydrophobicContact CD1-CD1 4.21Å; Y561-A565 WeakPolarHBondContact O-CB 3.21Å; Y561-A565 PolarHBondContact O-N 3.3Å; Y561-L580 HydrophobicContact CD1-CD1 4.31Å; Y561-L580 HydrophobicContact CE1-CD1 4.2Å; Y561-T583 HydrophobicContact CE1-CG2 3.93Å; Y561-T583 HydrophobicContact CE2-CG2 4.05Å; Y561-I585 HydrophobicContact CE2-CB 4.36Å; Y561-I585 PolarHBondContact OH-N 2.91Å; Y561-F586 HydrophobicContact CE2-CB 3.8Å; Y561-F586 VanDerWaalsContact OH-CB 3.31Å; Y561-F586 WeakPolarHBondContact OH-CB 3.33Å; Y561-F586 PolarHBondContact OH-N 3.11Å; Y561-E587 PolarHBondContact OH-OE2 2.99Å; Y561-E587 VanDerWaalsContact OH-OE2 3.1Å
562	E	90.5	Very high	90.6	Very high	44 Å²	44	64.7 Å²	64.7	21%	0.206	32%	0.322	C	S	.	.	H	α-helix	trans	-67	-40.4	171.6	-61.8	-169.2	153.6	0	0	110.7	T522 I525 R555 Q559 A565 N566	T522-E562 HydrophobicContact CG2-CG 4.44Å; I525-E562 HydrophobicContact CD1-CG 4.43Å; R555-E562 IonicContact CZ-OE1 3.98Å; R555-E562 IonicContact CZ-OE2 3.58Å; R555-E562 IonicContact NE-OE2 3.61Å; R555-E562 IonicContact NH2-OE1 3.87Å; R555-E562 PolarHBondContact NH2-OE1 2.89Å; R555-E562 IonicContact NH2-OE2 3.21Å; R555-E562 PolarHBondContact NH2-OE2 3.35Å; R555-E562 VanDerWaalsContact NH2-OE2 3.09Å; Q559-E562 WeakPolarHBondContact O-CB 3.16Å; Q559-E562 PolarHBondContact O-N 3.49Å; E562-A565 PolarHBondContact O-N 2.94Å; E562-N566 PolarHBondContact O-N 3.36Å
563	I	92.8	Very high	91	Very high	74 Å²	74	64.4 Å²	64.4	38%	0.379	32%	0.323	S	S	.	.	H	α-helix	trans	-63.2	-48.2	175.8	-61.3	171.2	0	0	0	110.4	Q559 P560 A565 N566 L567 M579	Q559-I563 HydrophobicContact CG-CD1 4.42Å; Q559-I563 PolarHBondContact O-N 3.03Å; P560-I563 PolarHBondContact O-N 3.41Å; I563-A565 VanDerWaalsContact C-N 3.27Å; I563-A565 PolarHBondContact O-N 3.46Å; I563-N566 PolarHBondContact O-N 2.87Å; I563-N566 VanDerWaalsContact O-N 3.12Å; I563-L567 HydrophobicContact CG2-CD1 4.16Å; I563-L567 HydrophobicContact CG2-CG 4.44Å; I563-L567 WeakPolarHBondContact O-CG 3.39Å; I563-L567 PolarHBondContact O-N 3.41Å; I563-M579 HydrophobicContact CB-SD 4.47Å; I563-M579 HydrophobicContact CG2-CE 4.43Å; I563-M579 HydrophobicContact CG2-SD 4.02Å
564	I	93.5	Very high	91.7	Very high	2 Å²	2	69.9 Å²	69.9	1%	0.01	35%	0.349	C	S	.	.	H	α-helix	trans	-59	-41.1	176.9	-64.1	159.9	0	0	0	110.7	T518 P560 Y561 N566 L567 T568 A576 M579 L580	T518-I564 HydrophobicContact CG2-CB 3.98Å; T518-I564 HydrophobicContact CG2-CG2 3.58Å; P560-I564 WeakPolarHBondContact O-CD1 3.45Å; P560-I564 WeakPolarHBondContact O-CG1 3.5Å; P560-I564 PolarHBondContact O-N 2.88Å; Y561-I564 HydrophobicContact CD1-CD1 4.21Å; I564-N566 VanDerWaalsContact C-N 3.34Å; I564-N566 PolarHBondContact O-N 3.28Å; I564-L567 PolarHBondContact O-N 2.93Å; I564-T568 WeakPolarHBondContact O-CB 3.47Å; I564-T568 PolarHBondContact O-N 3.5Å; I564-T568 PolarHBondContact O-OG1 2.98Å; I564-A576 HydrophobicContact CG2-CB 4.09Å; I564-M579 HydrophobicContact CD1-CB 4.37Å; I564-M579 HydrophobicContact CD1-CG 3.95Å; I564-M579 HydrophobicContact CD1-SD 4.38Å; I564-M579 HydrophobicContact CG1-CB 4Å; I564-M579 HydrophobicContact CG1-CG 3.73Å; I564-M579 HydrophobicContact CG1-SD 3.67Å; I564-L580 HydrophobicContact CD1-CB 4.07Å; I564-L580 HydrophobicContact CD1-CD1 4.12Å; I564-L580 HydrophobicContact CG2-CB 4.2Å
565	A	92.2	Very high	92.2	Very high	12 Å²	12	74.1 Å²	74.1	10%	0.099	37%	0.368	C	S	.	.	H	α-helix	trans	-63.2	-38.9	177.4	0	0	0	0	0	112.3	T522 Y561 E562 I563 K569	T522-A565 HydrophobicContact CG2-CB 4.09Å; Y561-A565 WeakPolarHBondContact O-CB 3.21Å; Y561-A565 PolarHBondContact O-N 3.3Å; E562-A565 PolarHBondContact O-N 2.94Å; I563-A565 VanDerWaalsContact C-N 3.27Å; I563-A565 PolarHBondContact O-N 3.46Å; A565-K569 WeakPolarHBondContact O-CG 3.34Å; A565-K569 PolarHBondContact O-N 3.45Å; A565-K569 VanDerWaalsContact O-N 3.13Å
566	N	92.9	Very high	92.5	Very high	82 Å²	82	70.8 Å²	70.8	44%	0.439	36%	0.357	S	S	.	.	H	α-helix	trans	-70.4	-45.3	176.6	-70.7	-17.6	0	0	0	112.2	E562 I563 I564 T568 K569 E570	E562-N566 PolarHBondContact O-N 3.36Å; I563-N566 PolarHBondContact O-N 2.87Å; I563-N566 VanDerWaalsContact O-N 3.12Å; I564-N566 VanDerWaalsContact C-N 3.34Å; I564-N566 PolarHBondContact O-N 3.28Å; N566-T568 PolarHBondContact O-N 3.4Å; N566-K569 WeakPolarHBondContact O-CB 3.45Å; N566-K569 PolarHBondContact O-N 2.74Å; N566-E570 WeakPolarHBondContact O-CG 3.29Å; N566-E570 PolarHBondContact O-N 3.49Å
567	L	94.8	Very high	92.8	Very high	22 Å²	22	68.9 Å²	68.9	12%	0.115	35%	0.352	C	S	.	.	H	α-helix	trans	-55.6	-39.1	173.8	-71.6	172	0	0	0	111.9	I563 I564 E570 G571 R572 E575 A576 M579	I563-L567 HydrophobicContact CG2-CD1 4.16Å; I563-L567 HydrophobicContact CG2-CG 4.44Å; I563-L567 WeakPolarHBondContact O-CG 3.39Å; I563-L567 PolarHBondContact O-N 3.41Å; I564-L567 PolarHBondContact O-N 2.93Å; L567-E570 PolarHBondContact O-N 2.88Å; L567-G571 PolarHBondContact O-N 3.27Å; L567-R572 HydrophobicContact CB-CB 4.46Å; L567-R572 HydrophobicContact CD2-CB 4.24Å; L567-R572 PolarHBondContact O-N 3.21Å; L567-E575 HydrophobicContact CD1-CB 4.45Å; L567-A576 HydrophobicContact CB-CB 3.95Å; L567-M579 HydrophobicContact CD1-SD 4.5Å
568	T	92.6	Very high	93.2	Very high	63 Å²	63	73.2 Å²	73.2	39%	0.387	37%	0.366	S	S	.	.	H	α-helix	trans	-64.8	-42.9	176	-55.6	0	0	0	0	111.6	I564 N566 E570 G571 L573	I564-T568 WeakPolarHBondContact O-CB 3.47Å; I564-T568 PolarHBondContact O-N 3.5Å; I564-T568 PolarHBondContact O-OG1 2.98Å; N566-T568 PolarHBondContact O-N 3.4Å; T568-E570 VanDerWaalsContact C-N 3.31Å; T568-E570 PolarHBondContact O-N 3.42Å; T568-G571 PolarHBondContact O-N 2.93Å; T568-L573 HydrophobicContact CG2-CD2 3.99Å
569	K	92.8	Very high	93.4	Very high	172 Å²	172	76.2 Å²	76.2	75%	0.748	38%	0.381	S	S	*	.	H	α-helix	trans	-66.2	-32.2	176.4	-71.8	172.2	-175.1	171.3	0	112.9	A565 N566 G571	A565-K569 WeakPolarHBondContact O-CG 3.34Å; A565-K569 PolarHBondContact O-N 3.45Å; A565-K569 VanDerWaalsContact O-N 3.13Å; N566-K569 WeakPolarHBondContact O-CB 3.45Å; N566-K569 PolarHBondContact O-N 2.74Å; K569-G571 PolarHBondContact O-N 3.33Å
570	E	95	Very high	93.6	Very high	126 Å²	126	72.4 Å²	72.4	59%	0.589	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-4.1	176.5	-69.5	173.1	-165	0	0	113.5	N566 L567 T568 R572	N566-E570 WeakPolarHBondContact O-CG 3.29Å; N566-E570 PolarHBondContact O-N 3.49Å; L567-E570 PolarHBondContact O-N 2.88Å; T568-E570 VanDerWaalsContact C-N 3.31Å; T568-E570 PolarHBondContact O-N 3.42Å; E570-R572 IonicContact OE2-NE 3.8Å
571	G	94	Very high	93.5	Very high	54 Å²	54	76.5 Å²	76.5	56%	0.557	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	5.1	-179	0	0	0	0	0	114.9	L567 T568 K569 L573	L567-G571 PolarHBondContact O-N 3.27Å; T568-G571 PolarHBondContact O-N 2.93Å; K569-G571 PolarHBondContact O-N 3.33Å; G571-L573 PolarHBondContact O-N 3.42Å
572	R	95.6	Very high	93.4	Very high	129 Å²	129	83.3 Å²	83.3	49%	0.487	41%	0.413	S	S	.	.			trans	-82.9	61	178.3	-61.5	-173.4	-176.8	-169.9	5.3	112.1	L567 E570 Q574 E575 A576	L567-R572 HydrophobicContact CB-CB 4.46Å; L567-R572 HydrophobicContact CD2-CB 4.24Å; L567-R572 PolarHBondContact O-N 3.21Å; E570-R572 IonicContact OE2-NE 3.8Å; R572-Q574 PolarHBondContact O-N 3.4Å; R572-E575 IonicContact NH1-OE2 3.92Å; R572-E575 PolarHBondContact O-N 2.97Å; R572-A576 PolarHBondContact O-N 2.97Å; R572-A576 VanDerWaalsContact O-N 3.16Å
573	L	93.9	Very high	93.4	Very high	96 Å²	96	82 Å²	82	50%	0.503	41%	0.408	S	S	.	.	H	α-helix	trans	-63.7	-39.7	-170.1	-63.8	178	0	0	0	114	T568 G571 A576 I577	T568-L573 HydrophobicContact CG2-CD2 3.99Å; G571-L573 PolarHBondContact O-N 3.42Å; L573-A576 PolarHBondContact O-N 3.38Å; L573-I577 WeakPolarHBondContact O-CB 3.43Å; L573-I577 VanDerWaalsContact O-CG1 3.24Å; L573-I577 WeakPolarHBondContact O-CG1 3.33Å; L573-I577 PolarHBondContact O-N 2.85Å
574	Q	94.8	Very high	93.2	Very high	176 Å²	176	83.4 Å²	83.4	82%	0.822	41%	0.413	S	S	*	.	H	α-helix	trans	-65.1	-43.4	-178	-70.1	-176.6	-18.4	0	0	112.3	R572 I577 K578	R572-Q574 PolarHBondContact O-N 3.4Å; Q574-I577 PolarHBondContact O-N 2.88Å; Q574-K578 WeakPolarHBondContact O-CB 3.28Å; Q574-K578 PolarHBondContact O-N 3.37Å
575	E	95.2	Very high	92.9	Very high	101 Å²	101	85.2 Å²	85.2	47%	0.472	42%	0.422	S	S	.	.	H	α-helix	trans	-62.8	-45.4	175.4	-68.5	174	-135.5	0	0	110.9	L567 R572 I577 K578 M579	L567-E575 HydrophobicContact CD1-CB 4.45Å; R572-E575 IonicContact NH1-OE2 3.92Å; R572-E575 PolarHBondContact O-N 2.97Å; E575-I577 PolarHBondContact O-N 2.98Å; E575-K578 PolarHBondContact O-N 3.08Å; E575-M579 PolarHBondContact O-N 2.93Å
576	A	93.9	Very high	92.9	Very high	4 Å²	4	84.7 Å²	84.7	3%	0.033	42%	0.418	C	S	.	.	H	α-helix	trans	-59.9	-45.8	177.7	0	0	0	0	0	112.2	I564 L567 R572 L573 M579 L580	I564-A576 HydrophobicContact CG2-CB 4.09Å; L567-A576 HydrophobicContact CB-CB 3.95Å; R572-A576 PolarHBondContact O-N 2.97Å; R572-A576 VanDerWaalsContact O-N 3.16Å; L573-A576 PolarHBondContact O-N 3.38Å; A576-M579 PolarHBondContact O-N 3.37Å; A576-L580 VanDerWaalsContact O-CB 3.24Å; A576-L580 WeakPolarHBondContact O-CB 3.03Å; A576-L580 PolarHBondContact O-N 3.31Å
577	I	93.8	Very high	92.8	Very high	104 Å²	104	81.8 Å²	81.8	53%	0.533	40%	0.402	S	S	.	.	H	α-helix	trans	-63.4	-45.6	178.4	-69.5	165.1	0	0	0	110.7	L573 Q574 E575 M579 L580 M581	L573-I577 WeakPolarHBondContact O-CB 3.43Å; L573-I577 VanDerWaalsContact O-CG1 3.24Å; L573-I577 WeakPolarHBondContact O-CG1 3.33Å; L573-I577 PolarHBondContact O-N 2.85Å; Q574-I577 PolarHBondContact O-N 2.88Å; E575-I577 PolarHBondContact O-N 2.98Å; I577-M579 PolarHBondContact O-N 3.13Å; I577-L580 PolarHBondContact O-N 3.5Å; I577-M581 HydrophobicContact CG2-CG 4.35Å; I577-M581 WeakPolarHBondContact O-CG 3.17Å; I577-M581 PolarHBondContact O-N 3.03Å
578	K	95.1	Very high	92.6	Very high	136 Å²	136	83.3 Å²	83.3	59%	0.591	41%	0.408	S	S	*	.	H	α-helix	trans	-58.9	-47.8	179	-176	179.9	176.7	-177.1	0	111.4	Q574 E575 M581 Q582	Q574-K578 WeakPolarHBondContact O-CB 3.28Å; Q574-K578 PolarHBondContact O-N 3.37Å; E575-K578 PolarHBondContact O-N 3.08Å; K578-M581 PolarHBondContact O-N 3Å; K578-Q582 WeakPolarHBondContact O-CG 3.48Å; K578-Q582 PolarHBondContact O-N 3.19Å
579	M	93.8	Very high	92.5	Very high	67 Å²	67	80.8 Å²	80.8	33%	0.33	39%	0.392	S	S	.	.	H	α-helix	trans	-65.1	-41	178.2	-173.6	178.3	-85.4	0	0	111.7	I563 I564 L567 E575 A576 I577 M581 Q582 T583	I563-M579 HydrophobicContact CB-SD 4.47Å; I563-M579 HydrophobicContact CG2-CE 4.43Å; I563-M579 HydrophobicContact CG2-SD 4.02Å; I564-M579 HydrophobicContact CD1-CB 4.37Å; I564-M579 HydrophobicContact CD1-CG 3.95Å; I564-M579 HydrophobicContact CD1-SD 4.38Å; I564-M579 HydrophobicContact CG1-CB 4Å; I564-M579 HydrophobicContact CG1-CG 3.73Å; I564-M579 HydrophobicContact CG1-SD 3.67Å; L567-M579 HydrophobicContact CD1-SD 4.5Å; E575-M579 PolarHBondContact O-N 2.93Å; A576-M579 PolarHBondContact O-N 3.37Å; I577-M579 PolarHBondContact O-N 3.13Å; M579-M581 VanDerWaalsContact C-N 3.35Å; M579-M581 PolarHBondContact O-N 3.46Å; M579-Q582 PolarHBondContact O-N 3.41Å; M579-T583 WeakPolarHBondContact O-CB 3.21Å; M579-T583 PolarHBondContact O-N 2.93Å; M579-T583 PolarHBondContact O-OG1 2.93Å
580	L	92.9	Very high	92.6	Very high	23 Å²	23	72.6 Å²	72.6	12%	0.12	36%	0.357	C	S	.	.	H	α-helix	trans	-64.1	-36.4	178.4	-177.7	64	0	0	0	113.3	K514 L517 T518 Y561 I564 A576 I577	K514-L580 HydrophobicContact CB-CD2 4.27Å; K514-L580 HydrophobicContact CD-CD1 4.43Å; K514-L580 HydrophobicContact CD-CG 4.28Å; K514-L580 PolarHBondContact NZ-O 3.01Å; L517-L580 HydrophobicContact CD2-CD1 4.13Å; T518-L580 HydrophobicContact CG2-CD1 4.26Å; Y561-L580 HydrophobicContact CD1-CD1 4.31Å; Y561-L580 HydrophobicContact CE1-CD1 4.2Å; I564-L580 HydrophobicContact CD1-CB 4.07Å; I564-L580 HydrophobicContact CD1-CD1 4.12Å; I564-L580 HydrophobicContact CG2-CB 4.2Å; A576-L580 VanDerWaalsContact O-CB 3.24Å; A576-L580 WeakPolarHBondContact O-CB 3.03Å; A576-L580 PolarHBondContact O-N 3.31Å; I577-L580 PolarHBondContact O-N 3.5Å
581	M	91.1	Very high	92.6	Very high	119 Å²	119	66.6 Å²	66.6	59%	0.586	33%	0.329	S	S	*	.	H	α-helix	trans	-72.8	-30.8	177.1	-69.4	-58.2	-68	0	0	112.5	I577 K578 M579	I577-M581 HydrophobicContact CG2-CG 4.35Å; I577-M581 WeakPolarHBondContact O-CG 3.17Å; I577-M581 PolarHBondContact O-N 3.03Å; K578-M581 PolarHBondContact O-N 3Å; M579-M581 VanDerWaalsContact C-N 3.35Å; M579-M581 PolarHBondContact O-N 3.46Å
582	Q	90.6	Very high	92.8	Very high	144 Å²	144	64.6 Å²	64.6	67%	0.673	31%	0.306	S	S	*	.	H	α-helix	trans	-80.1	-19.8	175.6	-69.1	176.7	-24.7	0	0	113.2	K578 M579	K578-Q582 WeakPolarHBondContact O-CG 3.48Å; K578-Q582 PolarHBondContact O-N 3.19Å; M579-Q582 PolarHBondContact O-N 3.41Å
583	T	89.6	Confident	92.9	Very high	15 Å²	15	58.5 Å²	58.5	9%	0.092	28%	0.283	C	S	.	.			trans	-93.9	123.3	-178.7	-48.4	0	0	0	0	111	K514 P560 Y561 M579 I585	K514-T583 PolarHBondContact NZ-O 3.44Å; P560-T583 HydrophobicContact CB-CG2 4.12Å; Y561-T583 HydrophobicContact CE1-CG2 3.93Å; Y561-T583 HydrophobicContact CE2-CG2 4.05Å; M579-T583 WeakPolarHBondContact O-CB 3.21Å; M579-T583 PolarHBondContact O-N 2.93Å; M579-T583 PolarHBondContact O-OG1 2.93Å; T583-I585 HydrophobicContact CG2-CB 4.47Å; T583-I585 HydrophobicContact CG2-CD1 4.11Å; T583-I585 HydrophobicContact CG2-CG1 4.14Å
584	Q	88.4	Confident	93.1	Very high	105 Å²	105	55.4 Å²	55.4	49%	0.491	27%	0.267	S	S	.	.			trans	-125.1	9.5	178.5	-62.2	-177.6	-4.7	0	0	113.6	F586 E587 Q588	Q584-F586 VanDerWaalsContact C-N 3.33Å; Q584-F586 PolarHBondContact O-N 3.34Å; Q584-E587 WeakPolarHBondContact CA-OE2 3.37Å; Q584-E587 PolarHBondContact O-N 3.28Å; Q584-Q588 HydrophobicContact CB-CG 4.21Å; Q584-Q588 WeakPolarHBondContact O-CG 3.47Å; Q584-Q588 PolarHBondContact O-N 3.48Å; Q584-Q588 PolarHBondContact O-OE1 3.5Å
585	I	88.8	Confident	93.2	Very high	40 Å²	40	47 Å²	47	21%	0.205	23%	0.228	C	C	.	.	H	α-helix	trans	-58.5	-44.3	-170.1	-61	171.1	0	0	0	111.4	P557 L558 P560 Y561 T583 Q588 N589	P557-I585 HydrophobicContact CB-CG2 3.88Å; P557-I585 WeakPolarHBondContact O-CD1 3.49Å; L558-I585 HydrophobicContact CD2-CG2 4.49Å; P560-I585 HydrophobicContact CG-CD1 4.3Å; Y561-I585 HydrophobicContact CE2-CB 4.36Å; Y561-I585 PolarHBondContact OH-N 2.91Å; T583-I585 HydrophobicContact CG2-CB 4.47Å; T583-I585 HydrophobicContact CG2-CD1 4.11Å; T583-I585 HydrophobicContact CG2-CG1 4.14Å; I585-Q588 PolarHBondContact O-N 3.34Å; I585-N589 WeakPolarHBondContact O-CB 3.39Å; I585-N589 PolarHBondContact O-N 2.96Å; I585-N589 PolarHBondContact O-ND2 3.33Å
586	F	90.5	Very high	93.2	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66.3	-49.8	-179.2	-171.7	-80.6	0	0	0	111.1	W511 P512 L517 F520 V521 L558 Y561 Q584 Q588 N589 F590	W511-F586 HydrophobicContact CE3-CE1 4.36Å; W511-F586 HydrophobicContact CH2-CE1 4.11Å; W511-F586 HydrophobicContact CH2-CZ 4Å; W511-F586 AromaticContact CZ3-CE1 3.78Å; W511-F586 HydrophobicContact CZ3-CE1 3.78Å; W511-F586 HydrophobicContact CZ3-CZ 4.09Å; P512-F586 HydrophobicContact CG-CD1 3.86Å; P512-F586 HydrophobicContact CG-CE1 3.75Å; L517-F586 HydrophobicContact CD1-CB 3.57Å; L517-F586 HydrophobicContact CD1-CD1 3.52Å; L517-F586 HydrophobicContact CD1-CD2 3.92Å; L517-F586 HydrophobicContact CD1-CE1 4.24Å; L517-F586 HydrophobicContact CD1-CG 3.35Å; L517-F586 HydrophobicContact CD2-CB 4.48Å; F520-F586 AromaticContact CD1-CE2 3.77Å; F520-F586 HydrophobicContact CD1-CE2 3.77Å; F520-F586 AromaticContact CD1-CZ 3.58Å; F520-F586 HydrophobicContact CD1-CZ 3.58Å; F520-F586 HydrophobicContact CE1-CE1 4.47Å; F520-F586 AromaticContact CE1-CE2 3.73Å; F520-F586 HydrophobicContact CE1-CE2 3.73Å; F520-F586 AromaticContact CE1-CZ 3.36Å; F520-F586 HydrophobicContact CE1-CZ 3.36Å; F520-F586 HydrophobicContact CZ-CZ 4.4Å; V521-F586 HydrophobicContact CG2-CD2 3.47Å; V521-F586 VanDerWaalsContact CG2-CD2 3.47Å; V521-F586 HydrophobicContact CG2-CE2 3.86Å; V521-F586 HydrophobicContact CG2-CG 4.27Å; L558-F586 HydrophobicContact CD2-CB 4.43Å; L558-F586 HydrophobicContact CD2-CD2 4.06Å; Y561-F586 HydrophobicContact CE2-CB 3.8Å; Y561-F586 VanDerWaalsContact OH-CB 3.31Å; Y561-F586 WeakPolarHBondContact OH-CB 3.33Å; Y561-F586 PolarHBondContact OH-N 3.11Å; Q584-F586 VanDerWaalsContact C-N 3.33Å; Q584-F586 PolarHBondContact O-N 3.34Å; F586-Q588 PolarHBondContact O-N 2.96Å; F586-N589 PolarHBondContact O-N 3.04Å; F586-N589 VanDerWaalsContact O-N 3.1Å; F586-F590 HydrophobicContact CD1-CB 3.9Å; F586-F590 HydrophobicContact CD1-CD2 4.25Å; F586-F590 HydrophobicContact CD1-CG 4.28Å; F586-F590 HydrophobicContact CD2-CB 4.5Å; F586-F590 AromaticContact CD2-CD2 3.49Å; F586-F590 HydrophobicContact CD2-CD2 3.49Å; F586-F590 VanDerWaalsContact CD2-CD2 3.49Å; F586-F590 AromaticContact CD2-CE2 3.79Å; F586-F590 HydrophobicContact CD2-CE2 3.79Å; F586-F590 AromaticContact CD2-CG 3.99Å; F586-F590 HydrophobicContact CD2-CG 3.99Å; F586-F590 HydrophobicContact CE1-CB 3.42Å; F586-F590 VanDerWaalsContact CE1-CB 3.42Å; F586-F590 HydrophobicContact CE1-CD2 4.22Å; F586-F590 AromaticContact CE1-CG 3.84Å; F586-F590 HydrophobicContact CE1-CG 3.84Å; F586-F590 HydrophobicContact CE2-CB 4.12Å; F586-F590 AromaticContact CE2-CD1 3.91Å; F586-F590 HydrophobicContact CE2-CD1 3.91Å; F586-F590 AromaticContact CE2-CD2 3.51Å; F586-F590 HydrophobicContact CE2-CD2 3.51Å; F586-F590 HydrophobicContact CE2-CE1 4.17Å; F586-F590 AromaticContact CE2-CE2 3.8Å; F586-F590 HydrophobicContact CE2-CE2 3.8Å; F586-F590 AromaticContact CE2-CG 3.56Å; F586-F590 HydrophobicContact CE2-CG 3.56Å; F586-F590 HydrophobicContact CE2-CZ 4.12Å; F586-F590 HydrophobicContact CG-CB 4.4Å; F586-F590 AromaticContact CG-CD2 3.88Å; F586-F590 HydrophobicContact CG-CD2 3.88Å; F586-F590 HydrophobicContact CG-CG 4.33Å; F586-F590 HydrophobicContact CZ-CB 3.56Å; F586-F590 AromaticContact CZ-CD1 3.81Å; F586-F590 HydrophobicContact CZ-CD1 3.81Å; F586-F590 AromaticContact CZ-CD2 3.88Å; F586-F590 HydrophobicContact CZ-CD2 3.88Å; F586-F590 HydrophobicContact CZ-CE1 4.48Å; F586-F590 AromaticContact CZ-CG 3.46Å; F586-F590 HydrophobicContact CZ-CG 3.46Å; F586-F590 VanDerWaalsContact CZ-CG 3.46Å; F586-F590 WeakPolarHBondContact O-CB 3.48Å; F586-F590 PolarHBondContact O-N 3.37Å
587	E	91	Very high	93.3	Very high	22 Å²	22	43.6 Å²	43.6	10%	0.103	21%	0.212	C	C	.	.	H	α-helix	trans	-61.2	-28.9	-178.9	-61.4	94.5	142.5	0	0	112.2	P362 G363 K514 L517 Y561 Q584	P362-E587 CarbonylContact C-O 3.37Å; G363-E587 WeakPolarHBondContact CA-O 3.38Å; G363-E587 PolarHBondContact N-O 3.07Å; K514-E587 WeakPolarHBondContact CD-OE1 3.42Å; K514-E587 WeakPolarHBondContact CE-OE1 3.47Å; K514-E587 IonicContact NZ-OE1 2.8Å; K514-E587 PolarHBondContact NZ-OE1 3.4Å; K514-E587 IonicContact NZ-OE2 3.95Å; L517-E587 WeakPolarHBondContact CD2-OE1 3.28Å; Y561-E587 PolarHBondContact OH-OE2 2.99Å; Y561-E587 VanDerWaalsContact OH-OE2 3.1Å; Q584-E587 WeakPolarHBondContact CA-OE2 3.37Å; Q584-E587 PolarHBondContact O-N 3.28Å
588	Q	90.4	Very high	93.2	Very high	53 Å²	53	42 Å²	42	25%	0.248	21%	0.209	C	C	.	.	H	α-helix	trans	-86.5	-13.7	179.5	-63.3	161.7	-27.7	0	0	114	N318 I320 Q584 I585 F586	N318-Q588 PolarHBondContact ND2-O 3.39Å; I320-Q588 HydrophobicContact CD1-CB 3.21Å; I320-Q588 HydrophobicContact CD1-CG 3.74Å; Q584-Q588 HydrophobicContact CB-CG 4.21Å; Q584-Q588 WeakPolarHBondContact O-CG 3.47Å; Q584-Q588 PolarHBondContact O-N 3.48Å; Q584-Q588 PolarHBondContact O-OE1 3.5Å; I585-Q588 PolarHBondContact O-N 3.34Å; F586-Q588 PolarHBondContact O-N 2.96Å
589	N	92.2	Very high	93	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.053	20%	0.198	C	C	.	.	H	α-helix	trans	-118.3	-19.3	-173.1	-78.5	-78.6	0	0	0	114.6	Y315 L316 N318 I585 F586	Y315-N589 CarbonylContact C-O 3.49Å; Y315-N589 WeakPolarHBondContact CA-O 3.3Å; Y315-N589 HydrophobicContact CD2-CB 4.09Å; Y315-N589 HydrophobicContact CE2-CB 3.73Å; L316-N589 WeakPolarHBondContact CB-O 3.37Å; L316-N589 PolarHBondContact N-O 3.43Å; N318-N589 WeakPolarHBondContact CA-OD1 3.4Å; N318-N589 WeakPolarHBondContact CB-OD1 3.35Å; N318-N589 PolarHBondContact N-OD1 3.27Å; N318-N589 PolarHBondContact O-OD1 2.85Å; I585-N589 WeakPolarHBondContact O-CB 3.39Å; I585-N589 PolarHBondContact O-N 2.96Å; I585-N589 PolarHBondContact O-ND2 3.33Å; F586-N589 PolarHBondContact O-N 3.04Å; F586-N589 VanDerWaalsContact O-N 3.1Å
590	F	94.1	Very high	93	Very high	1 Å²	1	37 Å²	37	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	145.8	-176.4	-76.5	-95.5	0	0	0	112.2	K260 V313 V314 Y315 G363 W511 F524 L558 F586	K260-F590 HydrophobicContact CG-CE1 4.47Å; V313-F590 HydrophobicContact CG1-CD1 3.98Å; V314-F590 WeakPolarHBondContact O-CA 3.44Å; Y315-F590 HydrophobicContact CD2-CD2 4.04Å; Y315-F590 HydrophobicContact CD2-CE1 4.08Å; Y315-F590 AromaticContact CD2-CE2 3.53Å; Y315-F590 HydrophobicContact CD2-CE2 3.53Å; Y315-F590 AromaticContact CD2-CZ 3.55Å; Y315-F590 HydrophobicContact CD2-CZ 3.55Å; Y315-F590 AromaticContact CE2-CE2 3.88Å; Y315-F590 HydrophobicContact CE2-CE2 3.88Å; Y315-F590 HydrophobicContact CE2-CZ 4.2Å; Y315-F590 HydrophobicContact CG-CZ 4.39Å; G363-F590 PolarHBondContact N-O 2.96Å; W511-F590 HydrophobicContact CZ3-CB 4.26Å; F524-F590 AromaticContact CE1-CE1 3.65Å; F524-F590 HydrophobicContact CE1-CE1 3.65Å; F524-F590 AromaticContact CE1-CZ 3.73Å; F524-F590 HydrophobicContact CE1-CZ 3.73Å; F524-F590 AromaticContact CZ-CE1 3.69Å; F524-F590 HydrophobicContact CZ-CE1 3.69Å; F524-F590 HydrophobicContact CZ-CZ 4.21Å; L558-F590 HydrophobicContact CD1-CE2 4.15Å; L558-F590 HydrophobicContact CD1-CZ 4.2Å; L558-F590 HydrophobicContact CD2-CE2 4.24Å; F586-F590 HydrophobicContact CD1-CB 3.9Å; F586-F590 HydrophobicContact CD1-CD2 4.25Å; F586-F590 HydrophobicContact CD1-CG 4.28Å; F586-F590 HydrophobicContact CD2-CB 4.5Å; F586-F590 AromaticContact CD2-CD2 3.49Å; F586-F590 HydrophobicContact CD2-CD2 3.49Å; F586-F590 VanDerWaalsContact CD2-CD2 3.49Å; F586-F590 AromaticContact CD2-CE2 3.79Å; F586-F590 HydrophobicContact CD2-CE2 3.79Å; F586-F590 AromaticContact CD2-CG 3.99Å; F586-F590 HydrophobicContact CD2-CG 3.99Å; F586-F590 HydrophobicContact CE1-CB 3.42Å; F586-F590 VanDerWaalsContact CE1-CB 3.42Å; F586-F590 HydrophobicContact CE1-CD2 4.22Å; F586-F590 AromaticContact CE1-CG 3.84Å; F586-F590 HydrophobicContact CE1-CG 3.84Å; F586-F590 HydrophobicContact CE2-CB 4.12Å; F586-F590 AromaticContact CE2-CD1 3.91Å; F586-F590 HydrophobicContact CE2-CD1 3.91Å; F586-F590 AromaticContact CE2-CD2 3.51Å; F586-F590 HydrophobicContact CE2-CD2 3.51Å; F586-F590 HydrophobicContact CE2-CE1 4.17Å; F586-F590 AromaticContact CE2-CE2 3.8Å; F586-F590 HydrophobicContact CE2-CE2 3.8Å; F586-F590 AromaticContact CE2-CG 3.56Å; F586-F590 HydrophobicContact CE2-CG 3.56Å; F586-F590 HydrophobicContact CE2-CZ 4.12Å; F586-F590 HydrophobicContact CG-CB 4.4Å; F586-F590 AromaticContact CG-CD2 3.88Å; F586-F590 HydrophobicContact CG-CD2 3.88Å; F586-F590 HydrophobicContact CG-CG 4.33Å; F586-F590 HydrophobicContact CZ-CB 3.56Å; F586-F590 AromaticContact CZ-CD1 3.81Å; F586-F590 HydrophobicContact CZ-CD1 3.81Å; F586-F590 AromaticContact CZ-CD2 3.88Å; F586-F590 HydrophobicContact CZ-CD2 3.88Å; F586-F590 HydrophobicContact CZ-CE1 4.48Å; F586-F590 AromaticContact CZ-CG 3.46Å; F586-F590 HydrophobicContact CZ-CG 3.46Å; F586-F590 VanDerWaalsContact CZ-CG 3.46Å; F586-F590 WeakPolarHBondContact O-CB 3.48Å; F586-F590 PolarHBondContact O-N 3.37Å
591	L	95.6	Very high	93	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	134.3	177.1	168	61.9	0	0	0	109.1	V314 L316 A340 L360 M361 T364 I593	V314-L591 HydrophobicContact CB-CB 4.5Å; V314-L591 PolarHBondContact N-O 3.32Å; V314-L591 PolarHBondContact O-N 2.97Å; L316-L591 HydrophobicContact CD1-CB 4.35Å; A340-L591 HydrophobicContact CB-CD2 3.97Å; L360-L591 HydrophobicContact CB-CD2 3.46Å; L360-L591 VanDerWaalsContact CB-CD2 3.46Å; L360-L591 HydrophobicContact CD1-CD2 4.1Å; L360-L591 HydrophobicContact CG-CD2 4.45Å; M361-L591 WeakPolarHBondContact O-CD1 3.41Å; T364-L591 WeakPolarHBondContact O-CD1 3.24Å; T364-L591 WeakPolarHBondContact OG1-CD1 3.38Å; L591-I593 HydrophobicContact CD1-CG1 4.39Å; L591-I593 HydrophobicContact CD2-CD1 3.94Å; L591-I593 HydrophobicContact CD2-CG1 3.9Å; L591-I593 HydrophobicContact CG-CD1 4.31Å; L591-I593 HydrophobicContact CG-CG1 3.79Å
592	S	96.6	Very high	93.2	Very high	12 Å²	12	31.3 Å²	31.3	8%	0.084	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131	169.5	-177.3	0	0	0	0	109.9	L312 T364 M365 T366	L312-S592 WeakPolarHBondContact O-CA 3.32Å; T364-S592 PolarHBondContact O-N 3Å; M365-S592 CarbonylContact C-O 3.54Å; M365-S592 VanDerWaalsContact CA-O 3.27Å; M365-S592 WeakPolarHBondContact CA-O 3.5Å; T366-S592 PolarHBondContact N-O 2.87Å
593	I	98.1	Very high	93.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.2	-179.6	-46.1	169.6	0	0	0	107.9	L185 E311 L312 V314 L342 L360 T366 I368 L591 I595	L185-I593 HydrophobicContact CD1-CD1 4.02Å; E311-I593 WeakPolarHBondContact CA-O 3.38Å; L312-I593 HydrophobicContact CB-CB 4.13Å; L312-I593 PolarHBondContact N-O 3.25Å; L312-I593 PolarHBondContact O-N 3.13Å; V314-I593 HydrophobicContact CG2-CD1 3.88Å; L342-I593 HydrophobicContact CD1-CD1 4.11Å; L342-I593 HydrophobicContact CD1-CG2 3.89Å; L360-I593 HydrophobicContact CD1-CD1 3.45Å; L360-I593 VanDerWaalsContact CD1-CD1 3.45Å; L360-I593 HydrophobicContact CD1-CG1 3.89Å; L360-I593 HydrophobicContact CD1-CG2 4.23Å; T366-I593 WeakPolarHBondContact O-CA 3.46Å; I368-I593 HydrophobicContact CD1-CG2 4.02Å; L591-I593 HydrophobicContact CD1-CG1 4.39Å; L591-I593 HydrophobicContact CD2-CD1 3.94Å; L591-I593 HydrophobicContact CD2-CG1 3.9Å; L591-I593 HydrophobicContact CG-CD1 4.31Å; L591-I593 HydrophobicContact CG-CG1 3.79Å; I593-I595 HydrophobicContact CG2-CG1 4.11Å
594	I	97.8	Very high	93.8	Very high	32 Å²	32	29.6 Å²	29.6	16%	0.164	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.1	172.1	-57	-178	0	0	0	106.7	M310 E311 M365 T366 D367 I368	M310-I594 CarbonylContact O-C 3.53Å; M310-I594 WeakPolarHBondContact O-CA 3.44Å; E311-I594 HydrophobicContact CG-CG1 4.33Å; E311-I594 HydrophobicContact CG-CG2 4.47Å; M365-I594 HydrophobicContact CE-CD1 3.97Å; M365-I594 HydrophobicContact CG-CD1 4.13Å; M365-I594 HydrophobicContact CG-CG1 4.37Å; M365-I594 HydrophobicContact SD-CD1 3.64Å; M365-I594 HydrophobicContact SD-CG1 4.48Å; T366-I594 PolarHBondContact O-N 3.45Å; D367-I594 CarbonylContact C-O 3.59Å; D367-I594 WeakPolarHBondContact CA-O 3.48Å; I368-I594 PolarHBondContact N-O 3.21Å
595	I	98	Very high	94.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	113.2	175	-55	163	0	0	0	106	F180 V183 N309 M310 L312 L342 L344 I368 F370 I593	F180-I595 HydrophobicContact CE1-CG2 4.47Å; F180-I595 HydrophobicContact CZ-CB 4.39Å; F180-I595 HydrophobicContact CZ-CG2 3.95Å; V183-I595 HydrophobicContact CB-CD1 4.18Å; V183-I595 HydrophobicContact CG1-CD1 3.49Å; V183-I595 VanDerWaalsContact CG1-CD1 3.49Å; V183-I595 HydrophobicContact CG2-CD1 3.59Å; N309-I595 CarbonylContact C-O 3.57Å; N309-I595 WeakPolarHBondContact CA-O 3.23Å; N309-I595 WeakPolarHBondContact CB-O 3.37Å; M310-I595 HydrophobicContact CB-CB 4.33Å; M310-I595 PolarHBondContact N-O 3.31Å; M310-I595 PolarHBondContact O-N 3.23Å; M310-I595 HydrophobicContact SD-CD1 4.25Å; L312-I595 HydrophobicContact CD1-CD1 4.44Å; L342-I595 HydrophobicContact CD1-CD1 4.05Å; L344-I595 HydrophobicContact CD1-CG2 4.27Å; L344-I595 HydrophobicContact CD2-CD1 4.15Å; L344-I595 HydrophobicContact CD2-CG2 3.99Å; I368-I595 HydrophobicContact CB-CG1 4.44Å; I368-I595 CarbonylContact O-C 3.58Å; I368-I595 WeakPolarHBondContact O-CA 3.14Å; F370-I595 HydrophobicContact CD1-CG2 3.9Å; F370-I595 HydrophobicContact CE1-CG2 4Å; I593-I595 HydrophobicContact CG2-CG1 4.11Å
596	S	95.6	Very high	94.4	Very high	17 Å²	17	26 Å²	26	12%	0.119	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.1	-169.6	61.9	0	0	0	0	112.1	D367 I368 R369 F370 P598	D367-S596 PolarHBondContact OD1-OG 3.28Å; I368-S596 PolarHBondContact O-N 3.39Å; R369-S596 WeakPolarHBondContact CA-O 3.5Å; R369-S596 WeakPolarHBondContact CG-OG 3.31Å; F370-S596 WeakPolarHBondContact CD1-O 3.36Å; F370-S596 PolarHBondContact N-O 3.27Å; S596-P598 WeakPolarHBondContact O-CD 3.49Å
597	R	94.5	Very high	94.7	Very high	16 Å²	16	27.3 Å²	27.3	6%	0.06	14%	0.137	C	C	.	.			trans	-89.7	109.6	168.3	175.9	177.2	-65.1	-174.4	-4.6	108.1	R178 P179 F180 L308 F370 N599 F600	R178-R597 PolarHBondContact O-NH1 3.02Å; R178-R597 PolarHBondContact O-NH2 3.31Å; P179-R597 PolarHBondContact O-NH2 3.19Å; F180-R597 VanDerWaalsContact CA-NH2 3.33Å; L308-R597 WeakPolarHBondContact O-CB 3.5Å; L308-R597 PolarHBondContact O-N 3.48Å; F370-R597 HydrophobicContact CE1-CB 4.11Å; F370-R597 HydrophobicContact CE2-CB 4.32Å; F370-R597 HydrophobicContact CE2-CG 4.47Å; F370-R597 HydrophobicContact CZ-CB 3.72Å; F370-R597 HydrophobicContact CZ-CG 4.32Å; R597-N599 WeakPolarHBondContact CD-O 3.48Å; R597-N599 WeakPolarHBondContact CG-O 3.48Å; R597-N599 PolarHBondContact O-N 3.07Å; R597-F600 VanDerWaalsContact NH1-CE1 3.33Å
598	P	92.7	Very high	94.8	Very high	70 Å²	70	29.6 Å²	29.6	46%	0.455	15%	0.147	S	C	.	.			trans	-67.3	-35	-176.2	25.7	-33.4	0	0	0	113.1	F370 S596	F370-P598 VanDerWaalsContact O-CD 3.26Å; F370-P598 WeakPolarHBondContact O-CD 3.27Å; S596-P598 WeakPolarHBondContact O-CD 3.49Å
599	N	91.8	Very high	95	Very high	68 Å²	68	28.3 Å²	28.3	36%	0.364	15%	0.146	S	C	.	.			trans	-154.9	172	177.6	52.7	46.8	0	0	0	109.7	R597 D601	R597-N599 WeakPolarHBondContact CD-O 3.48Å; R597-N599 WeakPolarHBondContact CG-O 3.48Å; R597-N599 PolarHBondContact O-N 3.07Å; N599-D601 PolarHBondContact ND2-OD2 3.25Å; N599-D601 PolarHBondContact O-N 3.36Å; N599-D601 VanDerWaalsContact OD1-CB 3.22Å; N599-D601 WeakPolarHBondContact OD1-CB 3.26Å; N599-D601 PolarHBondContact OD1-N 3.3Å; N599-D601 VanDerWaalsContact OD1-N 3.14Å
600	F	92.8	Very high	95	Very high	31 Å²	31	31.1 Å²	31.1	14%	0.136	16%	0.163	C	C	.	.	S	Bend	trans	-92.3	25.1	174.1	-66.5	-81.9	0	0	0	112	Q176 P177 K267 N305 L308 R597	Q176-F600 CarbonylContact C-O 3.5Å; Q176-F600 VanDerWaalsContact C-O 3.24Å; Q176-F600 PolarHBondContact N-O 3.43Å; P177-F600 HydrophobicContact CB-CB 4.32Å; P177-F600 HydrophobicContact CB-CD1 3.57Å; P177-F600 HydrophobicContact CB-CE1 4.23Å; P177-F600 HydrophobicContact CB-CG 4.24Å; K267-F600 HydrophobicContact CD-CE2 4.02Å; K267-F600 HydrophobicContact CD-CZ 4.43Å; N305-F600 WeakPolarHBondContact O-CE1 3.44Å; L308-F600 HydrophobicContact CD2-CE2 3.69Å; L308-F600 HydrophobicContact CD2-CZ 3.5Å; R597-F600 VanDerWaalsContact NH1-CE1 3.33Å
601	D	93.5	Very high	94.9	Very high	22 Å²	22	31.5 Å²	31.5	12%	0.118	17%	0.165	C	C	.	.			trans	-74.9	151.1	176.4	-57.9	-16	0	0	0	110.1	K172 L173 Y174 N599	K172-D601 WeakPolarHBondContact CE-OD2 3.42Å; K172-D601 IonicContact NZ-OD2 3.06Å; K172-D601 PolarHBondContact NZ-OD2 2.88Å; L173-D601 CarbonylContact O-C 3.55Å; L173-D601 WeakPolarHBondContact O-CA 3.26Å; Y174-D601 WeakPolarHBondContact CA-OD1 3.34Å; Y174-D601 WeakPolarHBondContact CD1-OD1 3.24Å; Y174-D601 WeakPolarHBondContact CD1-OD2 3.35Å; N599-D601 PolarHBondContact ND2-OD2 3.25Å; N599-D601 PolarHBondContact O-N 3.36Å; N599-D601 VanDerWaalsContact OD1-CB 3.22Å; N599-D601 WeakPolarHBondContact OD1-CB 3.26Å; N599-D601 PolarHBondContact OD1-N 3.3Å; N599-D601 VanDerWaalsContact OD1-N 3.14Å
602	L	94.4	Very high	94.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.7	179.1	178.9	63.4	0	0	0	109.6	L173 Q176 R178 V372 E374	L173-L602 HydrophobicContact CB-CB 4.39Å; L173-L602 HydrophobicContact CD1-CD2 4.38Å; L173-L602 PolarHBondContact N-O 3.44Å; L173-L602 PolarHBondContact O-N 2.63Å; Q176-L602 HydrophobicContact CB-CB 4.09Å; Q176-L602 HydrophobicContact CB-CD2 4.41Å; R178-L602 HydrophobicContact CG-CD1 3.62Å; R178-L602 HydrophobicContact CG-CD2 3.92Å; R178-L602 HydrophobicContact CG-CG 4.27Å; R178-L602 VanDerWaalsContact NE-CD2 3.34Å; V372-L602 HydrophobicContact CB-CD1 3.99Å; V372-L602 HydrophobicContact CG1-CD1 3.7Å; E374-L602 HydrophobicContact CB-CD1 3.86Å; E374-L602 HydrophobicContact CB-CD2 4.1Å; E374-L602 HydrophobicContact CB-CG 4.2Å
603	E	95.7	Very high	94.6	Very high	52 Å²	52	37.6 Å²	37.6	24%	0.243	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	101.7	169.4	-68.3	-170.2	-162.1	0	0	109.3	T371 V372 Y373 E374	T371-E603 HydrophobicContact CG2-CG 4.03Å; V372-E603 PolarHBondContact O-N 3.26Å; Y373-E603 CarbonylContact C-O 3.58Å; Y373-E603 VanDerWaalsContact CA-O 3.25Å; Y373-E603 WeakPolarHBondContact CA-O 3.49Å; Y373-E603 HydrophobicContact CD1-CB 3.73Å; Y373-E603 HydrophobicContact CE1-CB 3.7Å; Y373-E603 HydrophobicContact CE1-CG 4.37Å; Y373-E603 WeakPolarHBondContact CE1-OE2 3.15Å; Y373-E603 HydrophobicContact CG-CB 4.29Å; Y373-E603 PolarHBondContact OH-OE2 3.07Å; E374-E603 PolarHBondContact N-O 3.08Å
604	R	96.4	Very high	94.5	Very high	71 Å²	71	42.8 Å²	42.8	27%	0.268	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120.3	176.7	177.7	177.2	-71.5	160.4	1.6	109.6	P170 K171 L173 E374	P170-R604 CarbonylContact C-O 3.52Å; P170-R604 WeakPolarHBondContact CA-O 3.41Å; K171-R604 PolarHBondContact N-O 2.77Å; K171-R604 PolarHBondContact O-N 2.96Å; L173-R604 HydrophobicContact CD1-CB 4.03Å; L173-R604 VanDerWaalsContact CD1-CZ 3.43Å; E374-R604 CarbonylContact O-C 3.59Å; E374-R604 WeakPolarHBondContact O-CA 3.49Å; E374-R604 IonicContact OE1-CZ 3.56Å; E374-R604 IonicContact OE1-NE 3.19Å; E374-R604 PolarHBondContact OE1-NE 3.15Å; E374-R604 IonicContact OE1-NH2 3.12Å; E374-R604 PolarHBondContact OE1-NH2 3.2Å; E374-R604 IonicContact OE2-NH2 3.97Å
605	V	96	Very high	94.3	Very high	12 Å²	12	43.1 Å²	43.1	7%	0.073	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	106.2	171.5	-174.3	0	0	0	0	107.7	H168 P170 Y373 E374 W375 S376	H168-V605 HydrophobicContact CB-CG1 3.93Å; P170-V605 HydrophobicContact CB-CG2 4.47Å; Y373-V605 HydrophobicContact CD1-CG2 4.12Å; E374-V605 PolarHBondContact O-N 2.91Å; W375-V605 HydrophobicContact CD2-CB 4.36Å; W375-V605 HydrophobicContact CE3-CB 3.83Å; W375-V605 HydrophobicContact CE3-CG1 3.84Å; W375-V605 HydrophobicContact CE3-CG2 4.48Å; W375-V605 HydrophobicContact CH2-CG1 4.4Å; W375-V605 HydrophobicContact CH2-CG2 4.45Å; W375-V605 HydrophobicContact CZ3-CB 3.95Å; W375-V605 HydrophobicContact CZ3-CG1 3.61Å; W375-V605 HydrophobicContact CZ3-CG2 4.32Å; S376-V605 PolarHBondContact N-O 3.49Å
606	E	95.5	Very high	94.1	Very high	56 Å²	56	43.8 Å²	43.8	26%	0.262	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	127.5	-177	-174	-176.2	-169.9	0	0	110.2	Q169 K171 K608	Q169-E606 PolarHBondContact N-O 2.93Å; Q169-E606 PolarHBondContact O-N 2.86Å; K171-E606 IonicContact NZ-OE2 3.75Å; K171-E606 PolarHBondContact NZ-OE2 2.9Å; E606-K608 VanDerWaalsContact CD-CE 3.49Å; E606-K608 HydrophobicContact CG-CG 4.27Å; E606-K608 VanDerWaalsContact OE2-CE 3.25Å; E606-K608 WeakPolarHBondContact OE2-CE 3.35Å; E606-K608 IonicContact OE2-NZ 3.09Å
607	E	95.4	Very high	94	Very high	28 Å²	28	49.4 Å²	49.4	13%	0.131	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	127.4	169.7	-79.8	-177	-179.6	0	0	110.5	V166 H168 S376 M377 M378	V166-E607 HydrophobicContact CG1-CB 3.42Å; V166-E607 VanDerWaalsContact CG1-CB 3.42Å; V166-E607 HydrophobicContact CG1-CG 3.6Å; H168-E607 VanDerWaalsContact CD2-CG 3.49Å; H168-E607 WeakPolarHBondContact CD2-CG 3.34Å; H168-E607 IonicContact CD2-OE1 3.35Å; H168-E607 WeakPolarHBondContact NE2-CG 3.26Å; H168-E607 IonicContact NE2-OE1 2.86Å; H168-E607 PolarHBondContact NE2-OE1 2.96Å; S376-E607 WeakPolarHBondContact O-CB 3.22Å; S376-E607 PolarHBondContact O-N 3.4Å; M377-E607 WeakPolarHBondContact CA-OE2 3.49Å; M377-E607 WeakPolarHBondContact CB-OE2 3.48Å; M378-E607 HydrophobicContact CG-CB 3.87Å; M378-E607 PolarHBondContact N-OE2 2.94Å; M378-E607 HydrophobicContact SD-CB 4.46Å
608	K	94	Very high	94	Very high	71 Å²	71	53 Å²	53	31%	0.309	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.3	174.5	-64.4	-175.1	-179.6	174.3	0	111	V166 I167 E606 V610	V166-K608 CarbonylContact C-O 3.59Å; V166-K608 VanDerWaalsContact CA-O 3.29Å; V166-K608 WeakPolarHBondContact CA-O 3.44Å; I167-K608 HydrophobicContact CG2-CB 4.21Å; I167-K608 WeakPolarHBondContact CG2-O 3.43Å; I167-K608 PolarHBondContact N-O 2.58Å; I167-K608 PolarHBondContact O-N 3.46Å; E606-K608 VanDerWaalsContact CD-CE 3.49Å; E606-K608 HydrophobicContact CG-CG 4.27Å; E606-K608 VanDerWaalsContact OE2-CE 3.25Å; E606-K608 WeakPolarHBondContact OE2-CE 3.35Å; E606-K608 IonicContact OE2-NZ 3.09Å; K608-V610 PolarHBondContact O-N 3.3Å
609	A	94	Very high	94.2	Very high	26 Å²	26	52.7 Å²	52.7	22%	0.215	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	131.7	172.9	0	0	0	0	0	111.1	M378 V611	M378-A609 HydrophobicContact CE-CB 4.44Å; A609-V611 VanDerWaalsContact C-N 3.33Å
610	V	93.6	Very high	94.3	Very high	68 Å²	68	51.3 Å²	51.3	41%	0.412	28%	0.275	S	S	.	.	S	Bend	trans	-61.9	-44.1	175.9	173.2	0	0	0	0	110.2	D165 I167 K608	D165-V610 HydrophobicContact CB-CB 4.18Å; D165-V610 HydrophobicContact CB-CG2 3.86Å; D165-V610 PolarHBondContact O-N 3.49Å; I167-V610 HydrophobicContact CB-CG2 4.22Å; K608-V610 PolarHBondContact O-N 3.3Å
611	V	92.2	Very high	94.4	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.055	29%	0.287	C	S	.	.	S	Bend	trans	-117.1	104.1	173.5	-173.6	0	0	0	0	109	Q160 Y161 A609 L616	Q160-V611 HydrophobicContact CG-CG2 4.06Å; Y161-V611 HydrophobicContact CD2-CB 4.33Å; Y161-V611 HydrophobicContact CD2-CG1 4.04Å; A609-V611 VanDerWaalsContact C-N 3.33Å; V611-L616 HydrophobicContact CG1-CB 4.05Å
612	S	92.9	Very high	94.4	Very high	48 Å²	48	52 Å²	52	34%	0.336	30%	0.296	S	S	.	.			trans	-72.4	157.3	169.9	67.9	0	0	0	0	111	T614 S615 L616	S612-T614 PolarHBondContact O-N 2.99Å; S612-T614 PolarHBondContact OG-OG1 3.23Å; S612-S615 WeakPolarHBondContact O-CA 3.36Å; S612-S615 WeakPolarHBondContact O-CB 3.46Å; S612-S615 PolarHBondContact O-N 3.27Å; S612-S615 VanDerWaalsContact OG-CB 3.31Å; S612-S615 WeakPolarHBondContact OG-CB 3.46Å; S612-S615 PolarHBondContact OG-N 2.99Å; S612-L616 PolarHBondContact O-N 3.13Å
613	L	92.9	Very high	94.4	Very high	93 Å²	93	53.3 Å²	53.3	49%	0.487	30%	0.303	S	S	.	.	H	α-helix	trans	-53.8	-38.8	173.6	-175.7	66.5	0	0	0	112.2	L616 F617	L613-L616 HydrophobicContact CD1-CD2 4.49Å; L613-L616 WeakPolarHBondContact O-CB 3.38Å; L613-L616 PolarHBondContact O-N 2.99Å; L613-F617 HydrophobicContact CD1-CD2 4.15Å; L613-F617 HydrophobicContact CD1-CE2 3.59Å; L613-F617 HydrophobicContact CD1-CZ 4.32Å; L613-F617 HydrophobicContact CD2-CE2 4.22Å; L613-F617 HydrophobicContact CG-CD2 4Å; L613-F617 HydrophobicContact CG-CE2 3.67Å; L613-F617 WeakPolarHBondContact O-CD2 3.19Å; L613-F617 PolarHBondContact O-N 3.06Å; L613-F617 VanDerWaalsContact O-N 3.11Å
614	T	94.4	Very high	94.3	Very high	109 Å²	109	52.7 Å²	52.7	67%	0.669	30%	0.301	S	S	*	.	H	α-helix	trans	-66.3	-40.3	175.9	51.3	0	0	0	0	112.5	S612 S618	S612-T614 PolarHBondContact O-N 2.99Å; S612-T614 PolarHBondContact OG-OG1 3.23Å; T614-S618 WeakPolarHBondContact O-CB 3.48Å; T614-S618 PolarHBondContact O-N 2.67Å; T614-S618 VanDerWaalsContact O-N 3.12Å
615	S	93.2	Very high	94.2	Very high	38 Å²	38	51.3 Å²	51.3	27%	0.266	30%	0.302	S	S	.	.	H	α-helix	trans	-65.6	-42.2	175.3	-174.2	0	0	0	0	111	S612 S618 Q619	S612-S615 WeakPolarHBondContact O-CA 3.36Å; S612-S615 WeakPolarHBondContact O-CB 3.46Å; S612-S615 PolarHBondContact O-N 3.27Å; S612-S615 VanDerWaalsContact OG-CB 3.31Å; S612-S615 WeakPolarHBondContact OG-CB 3.46Å; S612-S615 PolarHBondContact OG-N 2.99Å; S615-S618 WeakPolarHBondContact O-CB 3.33Å; S615-S618 PolarHBondContact O-N 2.99Å; S615-Q619 WeakPolarHBondContact O-CB 3.13Å; S615-Q619 VanDerWaalsContact O-CG 3.3Å; S615-Q619 WeakPolarHBondContact O-CG 3.33Å; S615-Q619 PolarHBondContact O-N 3.33Å; S615-Q619 PolarHBondContact OG-NE2 2.79Å
616	L	94.9	Very high	93.9	Very high	15 Å²	15	55.8 Å²	55.8	8%	0.079	33%	0.325	C	S	.	.	H	α-helix	trans	-56.9	-53.4	176.2	178.1	65.8	0	0	0	111.5	I157 Y161 V611 S612 L613 S618 Q619 I620	I157-L616 HydrophobicContact CG2-CD1 3.65Å; Y161-L616 HydrophobicContact CD1-CD2 3.72Å; Y161-L616 HydrophobicContact CD2-CB 4.26Å; Y161-L616 HydrophobicContact CD2-CD2 3.86Å; Y161-L616 HydrophobicContact CD2-CG 4.48Å; Y161-L616 HydrophobicContact CE1-CD2 3.95Å; Y161-L616 HydrophobicContact CE2-CD2 4.07Å; Y161-L616 HydrophobicContact CG-CD1 4.3Å; Y161-L616 HydrophobicContact CG-CD2 3.67Å; Y161-L616 HydrophobicContact CG-CG 4.42Å; V611-L616 HydrophobicContact CG1-CB 4.05Å; S612-L616 PolarHBondContact O-N 3.13Å; L613-L616 HydrophobicContact CD1-CD2 4.49Å; L613-L616 WeakPolarHBondContact O-CB 3.38Å; L613-L616 PolarHBondContact O-N 2.99Å; L616-S618 VanDerWaalsContact C-N 3.29Å; L616-S618 PolarHBondContact O-N 3.47Å; L616-Q619 PolarHBondContact O-N 3.42Å; L616-I620 HydrophobicContact CD1-CD1 3.81Å; L616-I620 HydrophobicContact CD1-CG1 4.18Å; L616-I620 HydrophobicContact CD2-CD1 4.44Å; L616-I620 HydrophobicContact CG-CD1 3.79Å; L616-I620 HydrophobicContact CG-CG1 4.47Å; L616-I620 WeakPolarHBondContact O-CG1 3.35Å; L616-I620 PolarHBondContact O-N 2.85Å
617	F	94.2	Very high	93.8	Very high	135 Å²	135	56.5 Å²	56.5	59%	0.592	33%	0.325	S	S	*	.	H	α-helix	trans	-61	-39.3	179	-78.9	-61.5	0	0	0	112.5	L613 G621	L613-F617 HydrophobicContact CD1-CD2 4.15Å; L613-F617 HydrophobicContact CD1-CE2 3.59Å; L613-F617 HydrophobicContact CD1-CZ 4.32Å; L613-F617 HydrophobicContact CD2-CE2 4.22Å; L613-F617 HydrophobicContact CG-CD2 4Å; L613-F617 HydrophobicContact CG-CE2 3.67Å; L613-F617 WeakPolarHBondContact O-CD2 3.19Å; L613-F617 PolarHBondContact O-N 3.06Å; L613-F617 VanDerWaalsContact O-N 3.11Å; F617-G621 PolarHBondContact O-N 2.94Å
618	S	94.6	Very high	93.6	Very high	90 Å²	90	55.8 Å²	55.8	63%	0.629	32%	0.322	S	S	*	.	H	α-helix	trans	-62.1	-43.7	176.1	-172.7	0	0	0	0	111.7	T614 S615 L616 G622	T614-S618 WeakPolarHBondContact O-CB 3.48Å; T614-S618 PolarHBondContact O-N 2.67Å; T614-S618 VanDerWaalsContact O-N 3.12Å; S615-S618 WeakPolarHBondContact O-CB 3.33Å; S615-S618 PolarHBondContact O-N 2.99Å; L616-S618 VanDerWaalsContact C-N 3.29Å; L616-S618 PolarHBondContact O-N 3.47Å; S618-G622 PolarHBondContact O-N 3.2Å
619	Q	95.3	Very high	93.4	Very high	65 Å²	65	52.8 Å²	52.8	30%	0.304	31%	0.311	S	S	.	.	H	α-helix	trans	-71.2	-41.8	-179.2	-70.4	179.5	52	0	0	112	I157 S615 L616 G621 G622 L623	I157-Q619 HydrophobicContact CD1-CB 3.97Å; I157-Q619 HydrophobicContact CG2-CB 4.36Å; S615-Q619 WeakPolarHBondContact O-CB 3.13Å; S615-Q619 VanDerWaalsContact O-CG 3.3Å; S615-Q619 WeakPolarHBondContact O-CG 3.33Å; S615-Q619 PolarHBondContact O-N 3.33Å; S615-Q619 PolarHBondContact OG-NE2 2.79Å; L616-Q619 PolarHBondContact O-N 3.42Å; Q619-G621 PolarHBondContact O-N 3.37Å; Q619-G622 PolarHBondContact O-N 3.37Å; Q619-L623 WeakPolarHBondContact O-CG 3.19Å; Q619-L623 PolarHBondContact O-N 3.15Å
620	I	95.2	Very high	93.1	Very high	38 Å²	38	54.3 Å²	54.3	20%	0.195	32%	0.316	C	S	.	.	H	α-helix	trans	-59.2	-48	174.2	-70.1	172.4	0	0	0	110.3	L154 L616 G622 L623 L624	L154-I620 HydrophobicContact CD2-CB 4.21Å; L154-I620 HydrophobicContact CD2-CG1 3.96Å; L154-I620 HydrophobicContact CD2-CG2 3.96Å; L616-I620 HydrophobicContact CD1-CD1 3.81Å; L616-I620 HydrophobicContact CD1-CG1 4.18Å; L616-I620 HydrophobicContact CD2-CD1 4.44Å; L616-I620 HydrophobicContact CG-CD1 3.79Å; L616-I620 HydrophobicContact CG-CG1 4.47Å; L616-I620 WeakPolarHBondContact O-CG1 3.35Å; L616-I620 PolarHBondContact O-N 2.85Å; I620-G622 VanDerWaalsContact C-N 3.32Å; I620-G622 PolarHBondContact O-N 3.1Å; I620-L623 PolarHBondContact O-N 2.97Å; I620-L624 HydrophobicContact CG2-CD1 3.71Å; I620-L624 HydrophobicContact CG2-CG 4.29Å; I620-L624 WeakPolarHBondContact O-CB 3.49Å; I620-L624 WeakPolarHBondContact O-CG 3.2Å; I620-L624 PolarHBondContact O-N 3.32Å
621	G	93.3	Very high	93	Very high	38 Å²	38	53.7 Å²	53.7	39%	0.392	31%	0.312	S	S	.	.	H	α-helix	trans	-59.4	-42.6	177	0	0	0	0	0	112.4	F617 Q619 S625	F617-G621 PolarHBondContact O-N 2.94Å; Q619-G621 PolarHBondContact O-N 3.37Å; G621-S625 WeakPolarHBondContact O-CB 3.47Å; G621-S625 PolarHBondContact O-N 2.86Å; G621-S625 VanDerWaalsContact O-N 3.08Å
622	G	94.3	Very high	92.7	Very high	30 Å²	30	62 Å²	62	31%	0.309	35%	0.348	S	S	.	.	H	α-helix	trans	-60.7	-47.4	174.5	0	0	0	0	0	113	S618 Q619 I620 S625 I626	S618-G622 PolarHBondContact O-N 3.2Å; Q619-G622 PolarHBondContact O-N 3.37Å; I620-G622 VanDerWaalsContact C-N 3.32Å; I620-G622 PolarHBondContact O-N 3.1Å; G622-S625 PolarHBondContact O-N 3.05Å; G622-I626 WeakPolarHBondContact O-CB 3.33Å; G622-I626 WeakPolarHBondContact O-CD1 3.44Å; G622-I626 WeakPolarHBondContact O-CG1 3.47Å; G622-I626 PolarHBondContact O-N 2.99Å
623	L	94.9	Very high	92.5	Very high	28 Å²	28	63.9 Å²	63.9	15%	0.147	36%	0.357	C	S	.	.	H	α-helix	trans	-63.2	-47.7	178.4	-73.8	-179	0	0	0	112.3	C153 L154 I157 Q619 I620 S625 I626 W627	C153-L623 HydrophobicContact CB-CD1 3.71Å; C153-L623 HydrophobicContact CB-CD2 3.88Å; C153-L623 HydrophobicContact CB-CG 4.46Å; L154-L623 HydrophobicContact CD2-CB 4.23Å; L154-L623 HydrophobicContact CD2-CD1 3.88Å; L154-L623 HydrophobicContact CG-CD1 4.18Å; I157-L623 HydrophobicContact CD1-CD1 3.38Å; I157-L623 HydrophobicContact CD1-CG 4.16Å; I157-L623 HydrophobicContact CG1-CD1 4.31Å; Q619-L623 WeakPolarHBondContact O-CG 3.19Å; Q619-L623 PolarHBondContact O-N 3.15Å; I620-L623 PolarHBondContact O-N 2.97Å; L623-S625 VanDerWaalsContact C-N 3.31Å; L623-S625 PolarHBondContact O-N 2.91Å; L623-I626 PolarHBondContact O-N 3.24Å; L623-W627 WeakPolarHBondContact O-CB 3.31Å; L623-W627 VanDerWaalsContact O-CD1 3.25Å; L623-W627 PolarHBondContact O-N 3.46Å
624	L	93.8	Very high	92.2	Very high	38 Å²	38	59.7 Å²	59.7	20%	0.199	34%	0.336	C	S	.	.	H	α-helix	trans	-60.1	-42.2	179.8	-74	174	0	0	0	111.8	L154 I620 I628 G629 L630	L154-L624 HydrophobicContact CD1-CD2 3.98Å; I620-L624 HydrophobicContact CG2-CD1 3.71Å; I620-L624 HydrophobicContact CG2-CG 4.29Å; I620-L624 WeakPolarHBondContact O-CB 3.49Å; I620-L624 WeakPolarHBondContact O-CG 3.2Å; I620-L624 PolarHBondContact O-N 3.32Å; L624-I628 PolarHBondContact O-N 2.92Å; L624-G629 PolarHBondContact O-N 2.95Å; L624-L630 CarbonylContact C-O 3.47Å; L624-L630 HydrophobicContact CB-CB 4.22Å; L624-L630 HydrophobicContact CB-CD2 4.49Å; L624-L630 HydrophobicContact CD1-CD2 4.28Å; L624-L630 PolarHBondContact O-N 3.47Å
625	S	92.8	Very high	91.9	Very high	42 Å²	42	58.7 Å²	58.7	29%	0.294	33%	0.325	S	S	.	.	H	α-helix	trans	-68.2	-36	176.8	-177.1	0	0	0	0	113	R122 G621 G622 L623 G629 L630	R122-S625 PolarHBondContact NH1-O 3.31Å; R122-S625 PolarHBondContact NH2-O 3.38Å; R122-S625 VanDerWaalsContact NH2-O 3.13Å; G621-S625 WeakPolarHBondContact O-CB 3.47Å; G621-S625 PolarHBondContact O-N 2.86Å; G621-S625 VanDerWaalsContact O-N 3.08Å; G622-S625 PolarHBondContact O-N 3.05Å; L623-S625 VanDerWaalsContact C-N 3.31Å; L623-S625 PolarHBondContact O-N 2.91Å; S625-G629 WeakPolarHBondContact O-CA 3.45Å; S625-G629 PolarHBondContact O-N 3.42Å; S625-L630 PolarHBondContact N-O 3.1Å
626	I	91.5	Very high	91.8	Very high	107 Å²	107	61.6 Å²	61.6	55%	0.549	34%	0.341	S	S	.	.	H	α-helix	trans	-80	-45.2	-177	-70.7	167.5	0	0	0	111.5	R122 G622 L623	R122-I626 PolarHBondContact NH1-O 3.45Å; G622-I626 WeakPolarHBondContact O-CB 3.33Å; G622-I626 WeakPolarHBondContact O-CD1 3.44Å; G622-I626 WeakPolarHBondContact O-CG1 3.47Å; G622-I626 PolarHBondContact O-N 2.99Å; L623-I626 PolarHBondContact O-N 3.24Å
627	W	92.7	Very high	91.5	Very high	70 Å²	70	62.4 Å²	62.4	27%	0.265	35%	0.345	S	S	.	.	H	α-helix	trans	-81.2	-54.1	-174.6	-71.8	99.6	0	0	0	112.3	F146 C150 L623	F146-W627 HydrophobicContact CB-CE3 4.25Å; F146-W627 AromaticContact CD1-CE3 3.76Å; F146-W627 HydrophobicContact CD1-CE3 3.76Å; F146-W627 HydrophobicContact CD1-CZ3 4.35Å; F146-W627 VanDerWaalsContact CD1-O 3.29Å; F146-W627 WeakPolarHBondContact CD1-O 3.34Å; F146-W627 HydrophobicContact CE1-CE3 4.32Å; F146-W627 HydrophobicContact CG-CE3 4.07Å; F146-W627 HydrophobicContact CG-CZ3 4.47Å; C150-W627 HydrophobicContact CB-CB 3.5Å; C150-W627 HydrophobicContact CB-CD2 4.43Å; C150-W627 HydrophobicContact CB-CG 3.8Å; L623-W627 WeakPolarHBondContact O-CB 3.31Å; L623-W627 VanDerWaalsContact O-CD1 3.25Å; L623-W627 PolarHBondContact O-N 3.46Å
628	I	91.1	Very high	91.3	Very high	14 Å²	14	60.5 Å²	60.5	7%	0.072	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-18.7	-170	-60.8	168.2	0	0	0	111.1	L121 R122 F147 C150 L624 L630	L121-I628 HydrophobicContact CD2-CG2 3.46Å; L121-I628 VanDerWaalsContact CD2-CG2 3.46Å; R122-I628 PolarHBondContact N-O 3.25Å; F147-I628 HydrophobicContact CD1-CD1 3.65Å; F147-I628 HydrophobicContact CD1-CG1 4.16Å; F147-I628 HydrophobicContact CD2-CG1 4.23Å; F147-I628 HydrophobicContact CE1-CD1 3.63Å; F147-I628 HydrophobicContact CE1-CG1 4.14Å; F147-I628 HydrophobicContact CE1-CG2 4.04Å; F147-I628 HydrophobicContact CE2-CG1 4.21Å; F147-I628 HydrophobicContact CE2-CG2 3.79Å; F147-I628 HydrophobicContact CG-CD1 4.17Å; F147-I628 HydrophobicContact CG-CG1 4.23Å; F147-I628 HydrophobicContact CZ-CB 4.46Å; F147-I628 HydrophobicContact CZ-CD1 4.13Å; F147-I628 HydrophobicContact CZ-CG1 4.17Å; F147-I628 HydrophobicContact CZ-CG2 3.46Å; F147-I628 VanDerWaalsContact CZ-CG2 3.46Å; C150-I628 HydrophobicContact CB-CD1 3.72Å; C150-I628 HydrophobicContact CB-CG1 3.95Å; C150-I628 VanDerWaalsContact SG-CD1 3.53Å; L624-I628 PolarHBondContact O-N 2.92Å; I628-L630 VanDerWaalsContact C-N 3.27Å; I628-L630 HydrophobicContact CB-CB 4.46Å; I628-L630 HydrophobicContact CG2-CB 4.33Å
629	G	88.9	Confident	91.2	Very high	7 Å²	7	60.2 Å²	60.2	7%	0.072	33%	0.334	C	S	.	.			trans	78.5	15.3	-169.7	0	0	0	0	0	112.7	L624 S625 T631 C634	L624-G629 PolarHBondContact O-N 2.95Å; S625-G629 WeakPolarHBondContact O-CA 3.45Å; S625-G629 PolarHBondContact O-N 3.42Å; G629-T631 PolarHBondContact O-N 2.93Å; G629-C634 PolarHBondContact O-SG 2.88Å
630	L	89.5	Confident	91	Very high	59 Å²	59	62.5 Å²	62.5	31%	0.309	35%	0.345	S	S	.	.			trans	-75	117.3	-179.7	-167.7	159.6	0	0	0	109.3	L624 S625 I628 C634	L624-L630 CarbonylContact C-O 3.47Å; L624-L630 HydrophobicContact CB-CB 4.22Å; L624-L630 HydrophobicContact CB-CD2 4.49Å; L624-L630 HydrophobicContact CD1-CD2 4.28Å; L624-L630 PolarHBondContact O-N 3.47Å; S625-L630 PolarHBondContact N-O 3.1Å; I628-L630 VanDerWaalsContact C-N 3.27Å; I628-L630 HydrophobicContact CB-CB 4.46Å; I628-L630 HydrophobicContact CG2-CB 4.33Å; L630-C634 VanDerWaalsContact CA-SG 3.6Å; L630-C634 HydrophobicContact CG-CB 4.19Å
631	T	90.3	Very high	90.8	Very high	55 Å²	55	61.9 Å²	61.9	34%	0.337	34%	0.342	S	S	.	.			trans	-127.2	176.4	176.8	66.4	0	0	0	0	109.8	G629 V633 C634	G629-T631 PolarHBondContact O-N 2.93Å; T631-V633 PolarHBondContact O-N 3.38Å; T631-V633 VanDerWaalsContact O-N 3.13Å; T631-V633 PolarHBondContact OG1-N 3.46Å; T631-C634 PolarHBondContact N-SG 2.94Å; T631-C634 WeakPolarHBondContact O-CB 3.35Å; T631-C634 PolarHBondContact O-N 3.27Å
632	F	86.4	Confident	90.7	Very high	182 Å²	182	62 Å²	62	80%	0.798	34%	0.343	S	S	*	.	H	α-helix	trans	-57.1	-25	172.3	-84.7	-78.9	0	0	0	113.1	C634 I635	F632-C634 VanDerWaalsContact C-N 3.33Å; F632-C634 PolarHBondContact O-N 3.31Å; F632-I635 HydrophobicContact CD1-CD1 3.89Å; F632-I635 HydrophobicContact CE1-CD1 4.25Å; F632-I635 WeakPolarHBondContact O-CB 3.25Å; F632-I635 PolarHBondContact O-N 3.29Å
633	V	88.3	Confident	90.7	Very high	89 Å²	89	65.5 Å²	65.5	54%	0.539	35%	0.354	S	S	.	.	H	α-helix	trans	-64.4	-37.7	174.6	-178.8	0	0	0	0	111.2	T631 I635 V636 E637	T631-V633 PolarHBondContact O-N 3.38Å; T631-V633 VanDerWaalsContact O-N 3.13Å; T631-V633 PolarHBondContact OG1-N 3.46Å; V633-I635 PolarHBondContact O-N 2.88Å; V633-V636 WeakPolarHBondContact O-CA 3.49Å; V633-V636 WeakPolarHBondContact O-CB 3.5Å; V633-V636 PolarHBondContact O-N 3.43Å; V633-E637 PolarHBondContact O-N 3.12Å
634	C	87.6	Confident	90.5	Very high	5 Å²	5	66.6 Å²	66.6	3%	0.034	36%	0.36	C	S	.	.	H	α-helix	trans	-62.4	-29.7	177.9	-53.6	0	0	0	0	112.5	S120 G629 L630 T631 F632 V636 E637 L638	S120-C634 PolarHBondContact OG-SG 3.48Å; G629-C634 PolarHBondContact O-SG 2.88Å; L630-C634 VanDerWaalsContact CA-SG 3.6Å; L630-C634 HydrophobicContact CG-CB 4.19Å; T631-C634 PolarHBondContact N-SG 2.94Å; T631-C634 WeakPolarHBondContact O-CB 3.35Å; T631-C634 PolarHBondContact O-N 3.27Å; F632-C634 VanDerWaalsContact C-N 3.33Å; F632-C634 PolarHBondContact O-N 3.31Å; C634-V636 VanDerWaalsContact C-N 3.32Å; C634-E637 PolarHBondContact O-N 2.89Å; C634-L638 WeakPolarHBondContact O-CG 3.44Å; C634-L638 PolarHBondContact O-N 2.89Å
635	I	86.6	Confident	90.3	Very high	88 Å²	88	66.7 Å²	66.7	45%	0.451	36%	0.362	S	S	.	.	H	α-helix	trans	-65.7	-40.9	174.9	-59.9	176.2	0	0	0	109.6	F632 V633 L638 V639	F632-I635 HydrophobicContact CD1-CD1 3.89Å; F632-I635 HydrophobicContact CE1-CD1 4.25Å; F632-I635 WeakPolarHBondContact O-CB 3.25Å; F632-I635 PolarHBondContact O-N 3.29Å; V633-I635 PolarHBondContact O-N 2.88Å; I635-L638 PolarHBondContact O-N 3.31Å; I635-V639 WeakPolarHBondContact O-CG2 3.37Å; I635-V639 PolarHBondContact O-N 3.11Å
636	V	90.7	Very high	90.2	Very high	98 Å²	98	66.8 Å²	66.8	59%	0.594	37%	0.365	S	S	*	.	H	α-helix	trans	-64.5	-43.4	174.8	-176.1	0	0	0	0	110.7	V633 C634 L638 V639 E640	V633-V636 WeakPolarHBondContact O-CA 3.49Å; V633-V636 WeakPolarHBondContact O-CB 3.5Å; V633-V636 PolarHBondContact O-N 3.43Å; C634-V636 VanDerWaalsContact C-N 3.32Å; V636-L638 VanDerWaalsContact C-N 3.3Å; V636-L638 PolarHBondContact O-N 3.3Å; V636-V639 PolarHBondContact O-N 3.28Å; V636-E640 WeakPolarHBondContact O-CB 3.4Å; V636-E640 PolarHBondContact O-N 3.49Å
637	E	90.4	Very high	90.2	Very high	33 Å²	33	66.4 Å²	66.4	15%	0.154	37%	0.365	C	S	.	.	H	α-helix	trans	-59.6	-38.9	175.1	-64.8	174.4	-165.4	0	0	112.3	F115 T119 S120 V633 C634 E640 L641	F115-E637 HydrophobicContact CE2-CB 3.93Å; T119-E637 WeakPolarHBondContact CA-OE2 3.14Å; T119-E637 PolarHBondContact OG1-OE2 3.35Å; T119-E637 VanDerWaalsContact OG1-OE2 3.06Å; S120-E637 WeakPolarHBondContact CB-OE1 3.33Å; S120-E637 PolarHBondContact N-OE1 3.18Å; S120-E637 PolarHBondContact N-OE2 2.85Å; S120-E637 PolarHBondContact OG-OE1 2.94Å; S120-E637 PolarHBondContact OG-OE2 3.09Å; S120-E637 VanDerWaalsContact OG-OE2 3.13Å; V633-E637 PolarHBondContact O-N 3.12Å; C634-E637 PolarHBondContact O-N 2.89Å; E637-E640 PolarHBondContact O-N 3.46Å; E637-L641 WeakPolarHBondContact O-CB 3.49Å; E637-L641 PolarHBondContact O-N 3.05Å
638	L	88.8	Confident	89.8	Confident	95 Å²	95	63.5 Å²	63.5	50%	0.497	36%	0.355	S	S	.	.	H	α-helix	trans	-69.4	-38	176.4	-75	173.3	0	0	0	112.4	F115 C634 I635 V636 L641 G642	F115-L638 HydrophobicContact CE1-CD2 4.48Å; F115-L638 HydrophobicContact CE2-CD2 4.13Å; F115-L638 HydrophobicContact CZ-CD2 3.7Å; F115-L638 HydrophobicContact CZ-CG 4.4Å; C634-L638 WeakPolarHBondContact O-CG 3.44Å; C634-L638 PolarHBondContact O-N 2.89Å; I635-L638 PolarHBondContact O-N 3.31Å; V636-L638 VanDerWaalsContact C-N 3.3Å; V636-L638 PolarHBondContact O-N 3.3Å; L638-L641 PolarHBondContact O-N 2.94Å; L638-G642 PolarHBondContact O-N 3.45Å
639	V	92.2	Very high	89.6	Confident	83 Å²	83	65 Å²	65	50%	0.503	37%	0.365	S	S	.	.	H	α-helix	trans	-65.1	-44	173.5	171.4	0	0	0	0	110.2	I635 V636 L641 G642 L643	I635-V639 WeakPolarHBondContact O-CG2 3.37Å; I635-V639 PolarHBondContact O-N 3.11Å; V636-V639 PolarHBondContact O-N 3.28Å; V639-L641 PolarHBondContact O-N 3.31Å; V639-G642 WeakPolarHBondContact O-CA 3.4Å; V639-G642 PolarHBondContact O-N 3.44Å; V639-G642 VanDerWaalsContact O-N 3.12Å; V639-L643 HydrophobicContact CG1-CD1 4.18Å; V639-L643 HydrophobicContact CG1-CG 4.44Å; V639-L643 WeakPolarHBondContact O-CG 3.28Å; V639-L643 PolarHBondContact O-N 3.16Å
640	E	91.7	Very high	89.6	Confident	113 Å²	113	68.6 Å²	68.6	53%	0.528	38%	0.382	S	S	.	.	H	α-helix	trans	-59.3	-45.4	175	-173.3	-176.7	170	0	0	111.4	V636 E637 G642 L643 N644	V636-E640 WeakPolarHBondContact O-CB 3.4Å; V636-E640 PolarHBondContact O-N 3.49Å; E637-E640 PolarHBondContact O-N 3.46Å; E640-G642 VanDerWaalsContact C-N 3.33Å; E640-G642 PolarHBondContact O-N 3.44Å; E640-L643 PolarHBondContact O-N 3.12Å; E640-N644 WeakPolarHBondContact O-CB 3.44Å; E640-N644 PolarHBondContact O-N 2.98Å; E640-N644 PolarHBondContact O-ND2 2.84Å
641	L	91.1	Very high	89.3	Confident	25 Å²	25	71 Å²	71	13%	0.131	39%	0.391	C	S	.	.	H	α-helix	trans	-57.6	-46	172.3	173.3	63	0	0	0	111.4	Q111 F112 F115 E637 L638 V639 L643 N644 V645	Q111-L641 HydrophobicContact CB-CD1 4.35Å; F112-L641 HydrophobicContact CD2-CD2 4.46Å; F115-L641 HydrophobicContact CB-CD1 3.93Å; F115-L641 HydrophobicContact CB-CD2 4.21Å; F115-L641 HydrophobicContact CB-CG 4.48Å; F115-L641 HydrophobicContact CD1-CD2 3.98Å; F115-L641 HydrophobicContact CD2-CB 3.88Å; F115-L641 HydrophobicContact CD2-CD2 3.93Å; F115-L641 HydrophobicContact CD2-CG 4.36Å; F115-L641 HydrophobicContact CE1-CD2 4.34Å; F115-L641 HydrophobicContact CE2-CB 4.37Å; F115-L641 HydrophobicContact CE2-CD2 4.28Å; F115-L641 HydrophobicContact CG-CB 4.39Å; F115-L641 HydrophobicContact CG-CD1 4.37Å; F115-L641 HydrophobicContact CG-CD2 3.76Å; F115-L641 HydrophobicContact CG-CG 4.39Å; F115-L641 HydrophobicContact CZ-CD2 4.48Å; E637-L641 WeakPolarHBondContact O-CB 3.49Å; E637-L641 PolarHBondContact O-N 3.05Å; L638-L641 PolarHBondContact O-N 2.94Å; V639-L641 PolarHBondContact O-N 3.31Å; L641-L643 VanDerWaalsContact C-N 3.34Å; L641-L643 PolarHBondContact O-N 3.36Å; L641-N644 PolarHBondContact O-N 2.94Å; L641-V645 HydrophobicContact CD1-CG2 3.95Å; L641-V645 HydrophobicContact CG-CG2 4.42Å; L641-V645 WeakPolarHBondContact O-CB 3.44Å; L641-V645 VanDerWaalsContact O-CG2 3.25Å; L641-V645 WeakPolarHBondContact O-CG2 3.29Å; L641-V645 PolarHBondContact O-N 3.15Å
642	G	92.3	Very high	89	Confident	41 Å²	41	72 Å²	72	42%	0.423	39%	0.389	S	S	.	.	H	α-helix	trans	-59	-43.9	178.1	0	0	0	0	0	112.7	L638 V639 E640 V645 A646	L638-G642 PolarHBondContact O-N 3.45Å; V639-G642 WeakPolarHBondContact O-CA 3.4Å; V639-G642 PolarHBondContact O-N 3.44Å; V639-G642 VanDerWaalsContact O-N 3.12Å; E640-G642 VanDerWaalsContact C-N 3.33Å; E640-G642 PolarHBondContact O-N 3.44Å; G642-V645 PolarHBondContact O-N 2.87Å; G642-A646 WeakPolarHBondContact O-CB 3.35Å; G642-A646 PolarHBondContact O-N 2.91Å
643	L	93.2	Very high	88.9	Confident	104 Å²	104	70.4 Å²	70.4	55%	0.545	38%	0.382	S	S	.	.	H	α-helix	trans	-64.4	-47	175.3	-68	173.9	0	0	0	111.4	V639 E640 L641 V645 A646 D647	V639-L643 HydrophobicContact CG1-CD1 4.18Å; V639-L643 HydrophobicContact CG1-CG 4.44Å; V639-L643 WeakPolarHBondContact O-CG 3.28Å; V639-L643 PolarHBondContact O-N 3.16Å; E640-L643 PolarHBondContact O-N 3.12Å; L641-L643 VanDerWaalsContact C-N 3.34Å; L641-L643 PolarHBondContact O-N 3.36Å; L643-V645 VanDerWaalsContact C-N 3.28Å; L643-V645 PolarHBondContact O-N 2.83Å; L643-A646 WeakPolarHBondContact O-CB 3.3Å; L643-A646 PolarHBondContact O-N 2.86Å; L643-A646 VanDerWaalsContact O-N 3.09Å; L643-D647 PolarHBondContact O-N 3.33Å
644	N	90.7	Very high	88.6	Confident	51 Å²	51	73.5 Å²	73.5	27%	0.273	39%	0.388	S	S	.	.	H	α-helix	trans	-61.7	-35.5	178.1	-71.1	-24.5	0	0	0	112.7	E640 L641 A648	E640-N644 WeakPolarHBondContact O-CB 3.44Å; E640-N644 PolarHBondContact O-N 2.98Å; E640-N644 PolarHBondContact O-ND2 2.84Å; L641-N644 PolarHBondContact O-N 2.94Å; N644-A648 PolarHBondContact O-N 3.45Å; N644-A648 VanDerWaalsContact O-N 3.11Å
645	V	90.7	Very high	88.2	Confident	40 Å²	40	77.2 Å²	77.2	24%	0.242	41%	0.407	C	S	.	.	H	α-helix	trans	-70	-42.4	173.8	170.3	0	0	0	0	110.8	I108 Q111 L641 G642 L643 D647 A648 V649	I108-V645 HydrophobicContact CG1-CG1 4.43Å; Q111-V645 HydrophobicContact CB-CG2 4.28Å; L641-V645 HydrophobicContact CD1-CG2 3.95Å; L641-V645 HydrophobicContact CG-CG2 4.42Å; L641-V645 WeakPolarHBondContact O-CB 3.44Å; L641-V645 VanDerWaalsContact O-CG2 3.25Å; L641-V645 WeakPolarHBondContact O-CG2 3.29Å; L641-V645 PolarHBondContact O-N 3.15Å; G642-V645 PolarHBondContact O-N 2.87Å; L643-V645 VanDerWaalsContact C-N 3.28Å; L643-V645 PolarHBondContact O-N 2.83Å; V645-D647 VanDerWaalsContact C-N 3.35Å; V645-A648 PolarHBondContact O-N 3.16Å; V645-V649 VanDerWaalsContact O-CG2 3.29Å; V645-V649 WeakPolarHBondContact O-CG2 3.33Å; V645-V649 PolarHBondContact O-N 2.98Å
646	A	90.7	Very high	87.6	Confident	43 Å²	43	81 Å²	81	36%	0.355	42%	0.421	S	S	.	.	H	α-helix	trans	-61.1	-44	175.8	0	0	0	0	0	111.5	G642 L643 A648 V649 I650	G642-A646 WeakPolarHBondContact O-CB 3.35Å; G642-A646 PolarHBondContact O-N 2.91Å; L643-A646 WeakPolarHBondContact O-CB 3.3Å; L643-A646 PolarHBondContact O-N 2.86Å; L643-A646 VanDerWaalsContact O-N 3.09Å; A646-A648 PolarHBondContact O-N 2.8Å; A646-V649 PolarHBondContact O-N 2.98Å; A646-V649 VanDerWaalsContact O-N 3.16Å; A646-I650 VanDerWaalsContact O-CG1 3.28Å; A646-I650 WeakPolarHBondContact O-CG1 3.42Å; A646-I650 PolarHBondContact O-N 3.28Å
647	D	90	Very high	86.4	Confident	100 Å²	100	83.5 Å²	83.5	54%	0.535	44%	0.442	S	S	.	.	H	α-helix	trans	-61.1	-42.6	176.2	-75.5	-16.9	0	0	0	111.9	L643 V645 V649 I650 H651	L643-D647 PolarHBondContact O-N 3.33Å; V645-D647 VanDerWaalsContact C-N 3.35Å; D647-V649 VanDerWaalsContact C-N 3.34Å; D647-V649 PolarHBondContact O-N 3.45Å; D647-I650 PolarHBondContact O-N 3.11Å; D647-H651 VanDerWaalsContact O-CB 3.3Å; D647-H651 WeakPolarHBondContact O-CB 3.18Å; D647-H651 PolarHBondContact O-N 3.07Å
648	A	85.6	Confident	86.2	Confident	8 Å²	8	86.1 Å²	86.1	7%	0.066	46%	0.457	C	S	.	.	H	α-helix	trans	-62	-40.6	174.5	0	0	0	0	0	112.2	Q107 N644 V645 A646 Y652	Q107-A648 HydrophobicContact CB-CB 4.36Å; N644-A648 PolarHBondContact O-N 3.45Å; N644-A648 VanDerWaalsContact O-N 3.11Å; V645-A648 PolarHBondContact O-N 3.16Å; A646-A648 PolarHBondContact O-N 2.8Å; A648-Y652 WeakPolarHBondContact O-CB 3.3Å; A648-Y652 PolarHBondContact O-N 3.39Å
649	V	87.2	Confident	86.1	Confident	45 Å²	45	85.6 Å²	85.6	27%	0.273	46%	0.455	S	S	.	.	H	α-helix	trans	-66.7	-42.7	176.6	172.4	0	0	0	0	111.3	L104 I108 V645 A646 D647 Y652 K653	L104-V649 HydrophobicContact CD1-CB 4.5Å; L104-V649 HydrophobicContact CD1-CG2 3.99Å; I108-V649 HydrophobicContact CD1-CG2 4.49Å; V645-V649 VanDerWaalsContact O-CG2 3.29Å; V645-V649 WeakPolarHBondContact O-CG2 3.33Å; V645-V649 PolarHBondContact O-N 2.98Å; A646-V649 PolarHBondContact O-N 2.98Å; A646-V649 VanDerWaalsContact O-N 3.16Å; D647-V649 VanDerWaalsContact C-N 3.34Å; D647-V649 PolarHBondContact O-N 3.45Å; V649-Y652 PolarHBondContact O-N 2.94Å; V649-K653 WeakPolarHBondContact O-CG 3.39Å; V649-K653 PolarHBondContact O-N 2.93Å
650	I	87.7	Confident	85.7	Confident	84 Å²	84	85.7 Å²	85.7	43%	0.431	45%	0.452	S	S	.	.	H	α-helix	trans	-64.8	-45.7	178.1	-68.8	165.1	0	0	0	110.3	A646 D647 Y652 K653 K654	A646-I650 VanDerWaalsContact O-CG1 3.28Å; A646-I650 WeakPolarHBondContact O-CG1 3.42Å; A646-I650 PolarHBondContact O-N 3.28Å; D647-I650 PolarHBondContact O-N 3.11Å; I650-Y652 VanDerWaalsContact C-N 3.35Å; I650-Y652 PolarHBondContact O-N 3.48Å; I650-K653 PolarHBondContact O-N 3.19Å; I650-K654 HydrophobicContact CG2-CD 4.42Å; I650-K654 WeakPolarHBondContact O-CG 3.47Å; I650-K654 PolarHBondContact O-N 3.47Å
651	H	84.4	Confident	85.4	Confident	109 Å²	109	84.1 Å²	84.1	51%	0.505	45%	0.447	S	S	.	.	H	α-helix	trans	-61.3	-43.5	177.6	-171.3	-92.6	0	0	0	111.6	D647 K653 K654 L655	D647-H651 VanDerWaalsContact O-CB 3.3Å; D647-H651 WeakPolarHBondContact O-CB 3.18Å; D647-H651 PolarHBondContact O-N 3.07Å; H651-K653 PolarHBondContact O-N 3.49Å; H651-K654 PolarHBondContact O-N 2.89Å; H651-L655 VanDerWaalsContact CE1-CD1 3.42Å; H651-L655 WeakPolarHBondContact CE1-CD1 3.49Å; H651-L655 WeakPolarHBondContact ND1-CD1 3.49Å; H651-L655 WeakPolarHBondContact O-CG 3.39Å; H651-L655 PolarHBondContact O-N 3.23Å
652	Y	83.4	Confident	85	Confident	77 Å²	77	87.8 Å²	87.8	30%	0.302	47%	0.467	S	S	.	.	H	α-helix	trans	-64.1	-39	175.2	-173.5	-96.5	0	0	0	112.7	L104 A648 V649 I650 L655 K656	L104-Y652 HydrophobicContact CB-CD1 3.91Å; L104-Y652 HydrophobicContact CB-CD2 3.98Å; L104-Y652 HydrophobicContact CB-CE1 3.96Å; L104-Y652 HydrophobicContact CB-CE2 4.03Å; L104-Y652 HydrophobicContact CB-CG 3.91Å; L104-Y652 HydrophobicContact CD1-CD1 4.2Å; L104-Y652 HydrophobicContact CD1-CG 3.94Å; L104-Y652 HydrophobicContact CD2-CD1 4.25Å; L104-Y652 HydrophobicContact CG-CD1 4.34Å; L104-Y652 HydrophobicContact CG-CG 4.4Å; A648-Y652 WeakPolarHBondContact O-CB 3.3Å; A648-Y652 PolarHBondContact O-N 3.39Å; V649-Y652 PolarHBondContact O-N 2.94Å; I650-Y652 VanDerWaalsContact C-N 3.35Å; I650-Y652 PolarHBondContact O-N 3.48Å; Y652-L655 PolarHBondContact O-N 2.94Å; Y652-K656 PolarHBondContact O-N 3.46Å
653	K	83.4	Confident	84.6	Confident	147 Å²	147	90.9 Å²	90.9	64%	0.639	47%	0.47	S	S	*	.	H	α-helix	trans	-64.4	-41.4	173.6	-81	-174.5	176.7	-177.4	0	112	V649 I650 H651 L655 K656 S657	V649-K653 WeakPolarHBondContact O-CG 3.39Å; V649-K653 PolarHBondContact O-N 2.93Å; I650-K653 PolarHBondContact O-N 3.19Å; H651-K653 PolarHBondContact O-N 3.49Å; K653-L655 VanDerWaalsContact C-N 3.31Å; K653-L655 PolarHBondContact O-N 3.22Å; K653-K656 PolarHBondContact O-N 3.19Å; K653-S657 WeakPolarHBondContact O-CB 3.48Å; K653-S657 PolarHBondContact O-N 3.39Å
654	K	82.6	Confident	83.9	Confident	155 Å²	155	90 Å²	90	67%	0.674	47%	0.465	S	S	*	.	H	α-helix	trans	-65.3	-31.1	175.9	-76.9	-176.1	178.6	-179	0	113.3	I650 H651 K656	I650-K654 HydrophobicContact CG2-CD 4.42Å; I650-K654 WeakPolarHBondContact O-CG 3.47Å; I650-K654 PolarHBondContact O-N 3.47Å; H651-K654 PolarHBondContact O-N 2.89Å; K654-K656 VanDerWaalsContact C-N 3.35Å
655	L	78.4	Confident	83.4	Confident	83 Å²	83	93 Å²	93	44%	0.435	48%	0.48	S	S	.	.	H	α-helix	trans	-76.6	-20.4	174.7	-78.8	165.1	0	0	0	113.5	H651 Y652 K653	H651-L655 VanDerWaalsContact CE1-CD1 3.42Å; H651-L655 WeakPolarHBondContact CE1-CD1 3.49Å; H651-L655 WeakPolarHBondContact ND1-CD1 3.49Å; H651-L655 WeakPolarHBondContact O-CG 3.39Å; H651-L655 PolarHBondContact O-N 3.23Å; Y652-L655 PolarHBondContact O-N 2.94Å; K653-L655 VanDerWaalsContact C-N 3.31Å; K653-L655 PolarHBondContact O-N 3.22Å
656	K	75.7	Confident	82.8	Confident	168 Å²	168	97.4 Å²	97.4	73%	0.73	50%	0.499	S	S	*	.	H	α-helix	trans	-97.5	-27.4	-179	-166.4	176.9	-179.2	-175.8	0	112.9	Y652 K653 K654	Y652-K656 PolarHBondContact O-N 3.46Å; K653-K656 PolarHBondContact O-N 3.19Å; K654-K656 VanDerWaalsContact C-N 3.35Å
657	S	65	Low	82.1	Confident	150 Å²	150	102.4 Å²	102.4	100%	1.049	51%	0.513	S	S	*	.			trans	-70.1	0	162.4	173.9	0	0	0	0	110.1	K653	K653-S657 WeakPolarHBondContact O-CB 3.48Å; K653-S657 PolarHBondContact O-N 3.39Å

Retrieved 657 of 657 residues in 167.4 ms (Link to these results)

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