A0A077YX87_TRITR Loading...

Ribosomal protein S6 kinase

AlphaFold DB , UniProt , Accession A0A077YX87, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 733 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.7	Very low	28.8	Very low	26 Å²	26	126.7 Å²	126.7	13%	0.128	67%	0.666	C	S	.	*				0	95.8	0	-71.6	-157.4	-158.7	0	0	109.8	L3 K98 L145	M1-L3 PolarHBondContact O-N 3.16Å; M1-L3 HydrophobicContact SD-CD1 3.78Å; M1-L3 HydrophobicContact SD-CG 4.41Å; M1-K98 HydrophobicContact CE-CB 4.03Å; M1-K98 HydrophobicContact CE-CD 4.07Å; M1-K98 HydrophobicContact CE-CG 4.18Å; M1-K98 HydrophobicContact SD-CD 4.31Å; M1-K98 HydrophobicContact SD-CG 4.23Å; M1-L145 HydrophobicContact CE-CD1 3.67Å
2	P	28.5	Very low	28.9	Very low	65 Å²	65	124.8 Å²	124.8	42%	0.422	67%	0.671	S	S	.	*			trans	-79.6	84.4	149.2	32.3	-22.7	0	0	0	107	A4 E195	P2-A4 PolarHBondContact O-N 3.39Å; P2-E195 HydrophobicContact CG-CB 4.32Å
3	L	32.5	Very low	29.1	Very low	69 Å²	69	128.3 Å²	128.3	36%	0.361	69%	0.689	S	S	.	*			trans	-82.3	104.5	157.4	-82	166.2	0	0	0	105.6	M1	M1-L3 PolarHBondContact O-N 3.16Å; M1-L3 HydrophobicContact SD-CD1 3.78Å; M1-L3 HydrophobicContact SD-CG 4.41Å
4	A	28.5	Very low	29.3	Very low	81 Å²	81	129.2 Å²	129.2	67%	0.669	70%	0.702	S	S	*	*			trans	-47.8	133.7	168.6	0	0	0	0	0	108.9	P2 L6	P2-A4 PolarHBondContact O-N 3.39Å; A4-L6 PolarHBondContact O-N 3.21Å
5	P	27.5	Very low	29.5	Very low	99 Å²	99	125.1 Å²	125.1	64%	0.643	70%	0.702	S	S	*	*			trans	-62.8	110.7	172.3	-6.4	19.7	0	0	0	107.5	T7	P5-T7 PolarHBondContact O-N 3.2Å
6	L	28.8	Very low	29.6	Very low	173 Å²	173	125.9 Å²	125.9	91%	0.906	71%	0.711	S	S	*	*	S	Bend	trans	-70	70.3	158	-94.3	157.8	0	0	0	107.2	A4	A4-L6 PolarHBondContact O-N 3.21Å
7	T	26.4	Very low	29.6	Very low	106 Å²	106	123.9 Å²	123.9	65%	0.65	71%	0.713	S	S	*	*	S	Bend	trans	-173.7	132	167.6	15.7	0	0	0	0	107.4	P5	P5-T7 PolarHBondContact O-N 3.2Å
8	D	28.5	Very low	29.6	Very low	162 Å²	162	127.7 Å²	127.7	87%	0.866	72%	0.724	S	S	*	*			trans	100.3	29.1	174.7	-53.3	-20.1	0	0	0	119.7
9	L	27.5	Very low	29.4	Very low	165 Å²	165	126.6 Å²	126.6	86%	0.864	73%	0.725	S	S	*	*	S	Bend	trans	-110.3	29.4	163.6	-101.4	161.9	0	0	0	113.6
10	W	27.7	Very low	29.5	Very low	241 Å²	241	127 Å²	127	91%	0.913	73%	0.729	S	S	*	*			trans	-151.7	90.7	174.7	-65.2	76.5	0	0	0	109.9
11	K	29.4	Very low	29.6	Very low	207 Å²	207	128.7 Å²	128.7	90%	0.9	74%	0.736	S	S	*	*			trans	179.7	140.4	147.4	-99.9	161.2	-170.9	-172.3	0	111.3
12	S	29.2	Very low	29.2	Very low	104 Å²	104	131.8 Å²	131.8	73%	0.727	77%	0.766	S	S	*	*			trans	68.1	88.2	172.3	69.6	0	0	0	0	117.7
13	D	32.4	Very low	29.2	Very low	170 Å²	170	136.8 Å²	136.8	91%	0.909	79%	0.788	S	S	*	*				-134.7	121.4	109.2	-102.2	-27.2	0	0	0	109.1
14	T	31.4	Very low	28.8	Very low	141 Å²	141	141.9 Å²	141.9	87%	0.865	81%	0.812	S	S	*	*			trans	-77.4	122.4	-179.8	42.5	0	0	0	0	109.9
15	G	32.1	Very low	28.8	Very low	68 Å²	68	145.9 Å²	145.9	70%	0.701	82%	0.822	S	S	*	*			trans	-168.8	85.2	175.3	0	0	0	0	0	112.2
16	T	31.5	Very low	28.8	Very low	138 Å²	138	145.8 Å²	145.8	85%	0.847	82%	0.823	S	S	*	*			trans	14.5	120.2	152.2	50.6	0	0	0	0	120.7
17	A	28.9	Very low	28.9	Very low	91 Å²	91	144.2 Å²	144.2	75%	0.752	82%	0.821	S	S	*	*			trans	56.1	114.1	130.9	0	0	0	0	0	120.1
18	E	29.9	Very low	29.1	Very low	193 Å²	193	145 Å²	145	90%	0.902	82%	0.821	S	S	*	*				171.5	145.7	101.3	-91.3	-178.4	170.2	0	0	111.2
19	S	26.2	Very low	29.2	Very low	106 Å²	106	145.6 Å²	145.6	74%	0.741	82%	0.818	S	S	*	*			trans	-72.2	143	177.8	53	0	0	0	0	112.8
20	T	32	Very low	29.4	Very low	134 Å²	134	142.7 Å²	142.7	82%	0.822	82%	0.818	S	S	*	*			trans	-174.6	119.7	135.4	40.3	0	0	0	0	111.3
21	D	30	Very low	29.6	Very low	164 Å²	164	135.8 Å²	135.8	88%	0.877	81%	0.813	S	S	*	*			trans	41.5	144	133	-70.9	-26.5	0	0	0	124.9
22	A	25.2	Very low	29.9	Very low	90 Å²	90	133.6 Å²	133.6	74%	0.744	81%	0.811	S	S	*	*			trans	-57.4	157.4	175.4	0	0	0	0	0	115
23	L	28.1	Very low	30.1	Very low	171 Å²	171	137.3 Å²	137.3	90%	0.895	82%	0.817	S	S	*	*			trans	-158.2	120	144.7	-105.2	155.1	0	0	0	111.1
24	M	22.6	Very low	30.2	Very low	175 Å²	175	133.9 Å²	133.9	86%	0.862	81%	0.812	S	S	*	*			trans	-63.2	149.9	158.8	-76.9	-162.6	-178.7	0	0	110.3
25	L	29.5	Very low	30.4	Very low	166 Å²	166	136 Å²	136	87%	0.869	81%	0.812	S	S	*	*			trans	-131.7	100.2	159.4	-95.3	155.2	0	0	0	108.8
26	S	27.2	Very low	30.3	Very low	97 Å²	97	138 Å²	138	68%	0.678	81%	0.812	S	S	*	*			trans	-76.7	148.5	155	49	0	0	0	0	109.2
27	V	31	Very low	30.6	Very low	140 Å²	140	138.6 Å²	138.6	85%	0.848	82%	0.815	S	S	*	*			trans	-125.1	107.9	168.4	-177.4	0	0	0	0	106.4
28	N	30.2	Very low	30.7	Very low	121 Å²	121	143.1 Å²	143.1	65%	0.647	82%	0.821	S	S	*	*			trans	-87.4	129.3	169	-91	27.5	0	0	0	109.1
29	E	30.7	Very low	31	Very low	175 Å²	175	139.7 Å²	139.7	82%	0.818	82%	0.818	S	S	*	*				88.6	119.2	108.5	-73.4	178.9	145.2	0	0	115.7
30	A	33	Very low	31.3	Very low	105 Å²	105	138.4 Å²	138.4	87%	0.868	81%	0.814	S	S	*	*			trans	-152.5	126.2	140.1	0	0	0	0	0	107.8
31	A	31.3	Very low	31.3	Very low	96 Å²	96	142.9 Å²	142.9	79%	0.793	82%	0.818	S	S	*	*			trans	-79.9	157.8	-173	0	0	0	0	0	113.4
32	D	36.3	Very low	31.3	Very low	161 Å²	161	143 Å²	143	86%	0.861	81%	0.812	S	S	*	*			trans	-162.1	153.6	130	-119.7	-18.2	0	0	0	111.7
33	E	32.8	Very low	31.7	Very low	182 Å²	182	147.1 Å²	147.1	85%	0.85	82%	0.816	S	S	*	*			trans	-87	177.9	-147.1	-58.5	-176.5	142.6	0	0	119
34	A	35.5	Very low	31.7	Very low	97 Å²	97	144 Å²	144	80%	0.802	81%	0.806	S	S	*	*			trans	89.7	129.9	153.7	0	0	0	0	0	118.6
35	E	34.8	Very low	31.9	Very low	185 Å²	185	141.8 Å²	141.8	86%	0.864	80%	0.802	S	S	*	*			cis	-159	159.6	-8.8	-91.1	-145.7	158.5	0	0	107.9
36	P	30.3	Very low	31.9	Very low	111 Å²	111	138.4 Å²	138.4	72%	0.721	79%	0.788	S	S	*	*			trans	-103.9	156.4	-173.5	37.9	-29.1	0	0	0	114.5
37	V	37.2	Very low	31.8	Very low	150 Å²	150	142.7 Å²	142.7	91%	0.909	80%	0.797	S	S	*	*			trans	-133.1	117.5	161.8	-175.4	0	0	0	0	110
38	E	31	Very low	31.7	Very low	187 Å²	187	144.9 Å²	144.9	87%	0.874	79%	0.79	S	S	*	*			trans	-70.4	149.5	172.4	-66.8	175.2	134	0	0	112.5
39	S	35.6	Very low	31.6	Very low	120 Å²	120	148 Å²	148	84%	0.839	80%	0.8	S	S	*	*				-165	133.5	119.3	48	0	0	0	0	110.8
40	A	32.3	Very low	31.4	Very low	79 Å²	79	146.4 Å²	146.4	65%	0.653	79%	0.791	S	S	*	*			trans	-89.4	150.5	-171.9	0	0	0	0	0	112.4
41	Y	32.3	Very low	31.2	Very low	228 Å²	228	150.7 Å²	150.7	89%	0.894	79%	0.793	S	S	*	*			trans	-135.3	103.8	143.9	-82.8	-77.7	0	0	0	109.2
42	H	31.3	Very low	31	Very low	166 Å²	166	153.3 Å²	153.3	77%	0.769	79%	0.789	S	S	*	*			trans	-76.9	132.2	164.8	-104.7	-57.5	0	0	0	109.4
43	H	32.2	Very low	30.5	Very low	178 Å²	178	150.8 Å²	150.8	82%	0.824	78%	0.781	S	S	*	*			trans	-133.8	130.8	142	-89.2	-66.6	0	0	0	109
44	P	27.8	Very low	30.2	Very low	104 Å²	104	148.3 Å²	148.3	68%	0.675	78%	0.779	S	S	*	*			trans	-85.9	-179	179.1	31	-21.7	0	0	0	110.3
45	V	26.9	Very low	29.7	Very low	129 Å²	129	149.8 Å²	149.8	78%	0.782	78%	0.778	S	S	*	*			trans	126.4	109.3	147.3	-179.9	0	0	0	0	114.2
46	V	30.8	Very low	29.3	Very low	95 Å²	95	149.4 Å²	149.4	58%	0.576	78%	0.777	S	S	*	*			trans	95.5	96.1	143.2	173.2	0	0	0	0	118.2	R48	V46-R48 HydrophobicContact CG1-CG 3.7Å; V46-R48 PolarHBondContact O-N 3.33Å
47	E	25.5	Very low	29.1	Very low	187 Å²	187	151.1 Å²	151.1	87%	0.874	78%	0.778	S	S	*	*			trans	-48.4	111.6	146.4	-68.7	173.9	156.3	0	0	109.9
48	R	28.8	Very low	28.4	Very low	187 Å²	187	149.4 Å²	149.4	71%	0.706	76%	0.76	S	S	*	*			trans	-122	110.7	157.4	-82.8	177.1	-165.6	-173.4	5.2	108.1	V46 F50	V46-R48 HydrophobicContact CG1-CG 3.7Å; V46-R48 PolarHBondContact O-N 3.33Å; R48-F50 HydrophobicContact CB-CD2 3.73Å; R48-F50 HydrophobicContact CB-CE2 3.55Å; R48-F50 HydrophobicContact CG-CE2 4.26Å; R48-F50 PolarHBondContact O-N 2.86Å
49	H	27	Very low	28.4	Very low	185 Å²	185	142.6 Å²	142.6	86%	0.856	73%	0.731	S	S	*	*			trans	-51.7	106.3	155.7	-71.5	-80.2	0	0	0	108.4
50	F	27.7	Very low	28	Very low	142 Å²	142	142 Å²	142	62%	0.623	72%	0.718	S	S	*	*			trans	-107.4	89	162.9	-83.6	-84.3	0	0	0	107.2	R48 E52	R48-F50 HydrophobicContact CB-CD2 3.73Å; R48-F50 HydrophobicContact CB-CE2 3.55Å; R48-F50 HydrophobicContact CG-CE2 4.26Å; R48-F50 PolarHBondContact O-N 2.86Å; F50-E52 HydrophobicContact CB-CG 4.49Å; F50-E52 HydrophobicContact CD1-CG 4.23Å; F50-E52 PolarHBondContact O-N 3.05Å; F50-E52 VanDerWaalsContact O-N 3.13Å
51	E	27.5	Very low	28.2	Very low	195 Å²	195	141.2 Å²	141.2	91%	0.911	70%	0.703	S	S	*	*			trans	-66.9	89.1	149.8	-72.6	-179.8	159.1	0	0	106.4
52	E	27	Very low	28.7	Very low	151 Å²	151	135 Å²	135	71%	0.706	69%	0.689	S	S	*	*			trans	-96.1	131.9	165.5	-82.1	-170.3	171.5	0	0	109.5	F50 T54	F50-E52 HydrophobicContact CB-CG 4.49Å; F50-E52 HydrophobicContact CD1-CG 4.23Å; F50-E52 PolarHBondContact O-N 3.05Å; F50-E52 VanDerWaalsContact O-N 3.13Å; E52-T54 PolarHBondContact O-N 3.45Å
53	P	26.8	Very low	29.3	Very low	108 Å²	108	128.7 Å²	128.7	70%	0.701	66%	0.662	S	S	*	*			trans	-66	132.8	-172.3	28.3	-31.5	0	0	0	108.3	T55	P53-T55 VanDerWaalsContact C-N 3.35Å; P53-T55 PolarHBondContact O-N 3.16Å
54	T	27	Very low	29.6	Very low	131 Å²	131	127.7 Å²	127.7	80%	0.804	66%	0.655	S	S	*	*			trans	-53.1	104.4	160.4	44.3	0	0	0	0	107.6	E52 E56	E52-T54 PolarHBondContact O-N 3.45Å; T54-E56 VanDerWaalsContact C-N 3.27Å; T54-E56 PolarHBondContact O-N 3.41Å
55	T	25	Very low	30	Very low	127 Å²	127	132.2 Å²	132.2	78%	0.779	67%	0.667	S	S	*	*			trans	-67.8	94.2	166.6	22.1	0	0	0	0	106.9	P53 I57	P53-T55 VanDerWaalsContact C-N 3.35Å; P53-T55 PolarHBondContact O-N 3.16Å; T55-I57 PolarHBondContact O-N 3.46Å
56	E	25	Very low	30.6	Very low	178 Å²	178	130.1 Å²	130.1	83%	0.832	67%	0.672	S	S	*	*			trans	-58.9	104.1	160.8	-72	-172.1	157.9	0	0	107.2	T54 E58	T54-E56 VanDerWaalsContact C-N 3.27Å; T54-E56 PolarHBondContact O-N 3.41Å; E56-E58 PolarHBondContact O-N 3.39Å
57	I	25.7	Very low	31.2	Very low	146 Å²	146	131 Å²	131	75%	0.749	67%	0.669	S	S	*	*			trans	-67.6	104.5	166	-58.7	173.8	0	0	0	105.6	T55 V59	T55-I57 PolarHBondContact O-N 3.46Å; I57-V59 VanDerWaalsContact C-N 3.33Å; I57-V59 PolarHBondContact O-N 3.09Å
58	E	24.3	Very low	32.5	Very low	115 Å²	115	128.9 Å²	128.9	54%	0.537	66%	0.659	S	S	.	*			trans	-60.2	97.9	167.3	-118.2	-169	162.6	0	0	107.5	E56 N60 R380	E56-E58 PolarHBondContact O-N 3.39Å; E58-N60 PolarHBondContact O-N 2.87Å; E58-R380 IonicContact OE1-CZ 2.88Å; E58-R380 IonicContact OE1-NH1 3.85Å; E58-R380 PolarHBondContact OE1-NH1 2.75Å; E58-R380 IonicContact OE1-NH2 2.71Å; E58-R380 PolarHBondContact OE1-NH2 2.94Å
59	V	29.4	Very low	34.1	Very low	44 Å²	44	125.6 Å²	125.6	27%	0.267	65%	0.65	S	S	.	*			trans	-72	89.9	169.8	-176.4	0	0	0	0	106.4	I57 G381	I57-V59 VanDerWaalsContact C-N 3.33Å; I57-V59 PolarHBondContact O-N 3.09Å; V59-G381 VanDerWaalsContact O-CA 3.24Å; V59-G381 WeakPolarHBondContact O-CA 3.33Å
60	N	28.6	Very low	35.8	Very low	106 Å²	106	117.5 Å²	117.5	57%	0.567	62%	0.616	S	S	*	*			trans	-59.1	145.8	169.8	-72.6	-37.8	0	0	0	109.5	E58 V62	E58-N60 PolarHBondContact O-N 2.87Å; N60-V62 WeakPolarHBondContact O-CG2 3.19Å; N60-V62 PolarHBondContact O-N 3.3Å
61	D	36.3	Very low	38	Very low	63 Å²	63	114.3 Å²	114.3	34%	0.337	61%	0.605	S	S	.	*			trans	-50.5	109.2	175.2	-123.1	-2.9	0	0	0	108.2	T63 K69 S383	D61-T63 PolarHBondContact O-N 3.44Å; D61-K69 IonicContact OD2-NZ 2.77Å; D61-K69 PolarHBondContact OD2-NZ 3.4Å; D61-S383 WeakPolarHBondContact OD1-CB 3.43Å; D61-S383 PolarHBondContact OD1-OG 2.58Å
62	V	42.7	Very low	40.3	Very low	98 Å²	98	106.7 Å²	106.7	59%	0.594	57%	0.573	S	S	*	*			trans	-82.3	68.1	179.2	-168.3	0	0	0	0	108.3	N60	N60-V62 WeakPolarHBondContact O-CG2 3.19Å; N60-V62 PolarHBondContact O-N 3.3Å
63	T	43.2	Very low	42.7	Very low	33 Å²	33	103.8 Å²	103.8	20%	0.202	57%	0.569	C	S	.	*			trans	-119.1	115.1	162.7	29.7	0	0	0	0	106.2	D61 E65 K69 I385	D61-T63 PolarHBondContact O-N 3.44Å; T63-E65 PolarHBondContact O-N 2.88Å; T63-K69 HydrophobicContact CG2-CG 4.33Å; T63-I385 HydrophobicContact CG2-CD1 4.36Å
64	K	39.3	Very low	45.2	Very low	157 Å²	157	99.3 Å²	99.3	68%	0.683	54%	0.539	S	S	*	.			trans	-51.9	136.3	170	-96	-176.7	173.7	178.6	0	108.6	G66 F67	K64-G66 PolarHBondContact O-N 3.15Å; K64-F67 HydrophobicContact CB-CD2 3.69Å; K64-F67 HydrophobicContact CB-CE2 4.12Å; K64-F67 HydrophobicContact CD-CE2 4.39Å; K64-F67 PolarHBondContact O-N 3.11Å
65	E	36.2	Very low	47.7	Very low	199 Å²	199	93.9 Å²	93.9	93%	0.93	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	129.4	172.3	-80.4	-174.1	145.8	0	0	110.2	T63	T63-E65 PolarHBondContact O-N 2.88Å
66	G	39.6	Very low	50.3	Low	86 Å²	86	92.4 Å²	92.4	89%	0.887	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.9	-1.2	179.3	0	0	0	0	0	116.8	K64	K64-G66 PolarHBondContact O-N 3.15Å
67	F	42.6	Very low	52.5	Low	113 Å²	113	86 Å²	86	50%	0.496	46%	0.46	S	S	.	.	S	Bend	trans	-107.3	140.8	177.6	-69.7	-95.3	0	0	0	112.2	K64 K69 M390	K64-F67 HydrophobicContact CB-CD2 3.69Å; K64-F67 HydrophobicContact CB-CE2 4.12Å; K64-F67 HydrophobicContact CD-CE2 4.39Å; K64-F67 PolarHBondContact O-N 3.11Å; F67-K69 PolarHBondContact O-N 2.98Å; F67-M390 HydrophobicContact CD1-CE 4.22Å; F67-M390 HydrophobicContact CE1-CE 3.84Å; F67-M390 HydrophobicContact CZ-CE 4.17Å
68	E	52.9	Low	53.7	Low	142 Å²	142	81.3 Å²	81.3	66%	0.664	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-61.2	133	-179	-74.4	-172.6	169.9	0	0	111.8	Q74 I385	E68-Q74 PolarHBondContact OE2-NE2 3.38Å; E68-I385 VanDerWaalsContact O-CD1 3.26Å; E68-I385 WeakPolarHBondContact O-CD1 3.21Å
69	K	62.9	Low	55.4	Low	119 Å²	119	78.7 Å²	78.7	52%	0.517	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-64.5	144.7	169.6	-63.9	-165.2	178.9	-161.2	0	109.6	D61 T63 F67 D71 Q74	D61-K69 IonicContact OD2-NZ 2.77Å; D61-K69 PolarHBondContact OD2-NZ 3.4Å; T63-K69 HydrophobicContact CG2-CG 4.33Å; F67-K69 PolarHBondContact O-N 2.98Å; K69-D71 PolarHBondContact O-N 3.37Å; K69-Q74 PolarHBondContact O-NE2 3.23Å
70	G	63	Low	56.7	Low	14 Å²	14	78.5 Å²	78.5	14%	0.144	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-62.7	130.6	170.9	0	0	0	0	0	110.7	F135	G70-F135 VanDerWaalsContact O-CB 3.29Å; G70-F135 WeakPolarHBondContact O-CB 3.31Å
71	D	73.7	Confident	58.9	Low	75 Å²	75	75.9 Å²	75.9	40%	0.401	41%	0.405	S	S	.	.			trans	-135.8	144	-177.7	-175.9	94.9	0	0	0	110.4	K69 S73 Q74 F75	K69-D71 PolarHBondContact O-N 3.37Å; D71-S73 PolarHBondContact O-N 3.19Å; D71-S73 VanDerWaalsContact O-N 3.13Å; D71-S73 WeakPolarHBondContact OD2-CB 3.47Å; D71-S73 PolarHBondContact OD2-N 3.43Å; D71-S73 PolarHBondContact OD2-OG 2.97Å; D71-Q74 HydrophobicContact CB-CG 4.2Å; D71-Q74 VanDerWaalsContact O-CB 3.28Å; D71-Q74 WeakPolarHBondContact O-CB 3.36Å; D71-Q74 PolarHBondContact O-N 3.28Å; D71-F75 WeakPolarHBondContact O-CD2 3.46Å
72	P	74.8	Confident	60.9	Low	36 Å²	36	73.1 Å²	73.1	23%	0.234	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-51.3	-34.2	176.6	-24.3	29.6	0	0	0	114.3	Q74 F75 F135 T137 Y142	P72-Q74 PolarHBondContact O-N 2.84Å; P72-F75 PolarHBondContact O-N 3.2Å; P72-F135 HydrophobicContact CB-CE2 4.32Å; P72-F135 HydrophobicContact CG-CD2 4.25Å; P72-F135 HydrophobicContact CG-CE2 3.8Å; P72-T137 HydrophobicContact CG-CG2 3.71Å; P72-Y142 HydrophobicContact CG-CE2 4.31Å
73	S	78	Confident	62.7	Low	89 Å²	89	68.5 Å²	68.5	62%	0.622	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-63.7	-17.7	177.8	64.6	0	0	0	0	113.8	D71 F75 V86	D71-S73 PolarHBondContact O-N 3.19Å; D71-S73 VanDerWaalsContact O-N 3.13Å; D71-S73 WeakPolarHBondContact OD2-CB 3.47Å; D71-S73 PolarHBondContact OD2-N 3.43Å; D71-S73 PolarHBondContact OD2-OG 2.97Å; S73-F75 PolarHBondContact O-N 2.9Å; S73-V86 WeakPolarHBondContact O-CG2 3.45Å
74	Q	79.2	Confident	64.5	Low	15 Å²	15	68.1 Å²	68.1	7%	0.07	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-79.6	-1.9	175.1	-55.8	-176.9	-23	0	0	113.2	E68 K69 D71 P72 K85 V86 V87	E68-Q74 PolarHBondContact OE2-NE2 3.38Å; K69-Q74 PolarHBondContact O-NE2 3.23Å; D71-Q74 HydrophobicContact CB-CG 4.2Å; D71-Q74 VanDerWaalsContact O-CB 3.28Å; D71-Q74 WeakPolarHBondContact O-CB 3.36Å; D71-Q74 PolarHBondContact O-N 3.28Å; P72-Q74 PolarHBondContact O-N 2.84Å; Q74-K85 WeakPolarHBondContact O-CA 3.09Å; Q74-V86 VanDerWaalsContact O-CG2 3.24Å; Q74-V86 WeakPolarHBondContact O-CG2 3.48Å; Q74-V86 PolarHBondContact O-N 3.23Å; Q74-V87 HydrophobicContact CB-CG2 3.61Å; Q74-V87 HydrophobicContact CG-CG2 3.5Å
75	F	79.1	Confident	66.6	Low	16 Å²	16	60.8 Å²	60.8	7%	0.07	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	115.9	-175.9	-63.6	-84.2	0	0	0	111.2	D71 P72 S73 V83 R84 K85 Y95 Y133 F135 I144	D71-F75 WeakPolarHBondContact O-CD2 3.46Å; P72-F75 PolarHBondContact O-N 3.2Å; S73-F75 PolarHBondContact O-N 2.9Å; F75-V83 HydrophobicContact CB-CB 4.03Å; F75-V83 HydrophobicContact CB-CG1 4.28Å; F75-V83 HydrophobicContact CB-CG2 4.32Å; F75-V83 HydrophobicContact CD1-CB 4.28Å; F75-V83 HydrophobicContact CD1-CG2 3.72Å; F75-V83 HydrophobicContact CG-CG2 4.34Å; F75-R84 CarbonylContact C-O 3.52Å; F75-R84 WeakPolarHBondContact CA-O 3.41Å; F75-K85 HydrophobicContact CD1-CD 3.91Å; F75-K85 HydrophobicContact CE1-CB 4.4Å; F75-K85 HydrophobicContact CE1-CD 3.34Å; F75-K85 HydrophobicContact CE1-CG 4.48Å; F75-K85 HydrophobicContact CE2-CD 4.28Å; F75-K85 HydrophobicContact CZ-CD 3.56Å; F75-K85 VanDerWaalsContact CZ-NZ 3.3Å; F75-Y95 HydrophobicContact CE1-CD2 4.37Å; F75-Y133 HydrophobicContact CE1-CD2 4.16Å; F75-Y133 HydrophobicContact CE1-CE2 4.41Å; F75-Y133 HydrophobicContact CZ-CD1 4.41Å; F75-Y133 AromaticContact CZ-CD2 3.66Å; F75-Y133 HydrophobicContact CZ-CD2 3.66Å; F75-Y133 HydrophobicContact CZ-CE2 4.07Å; F75-Y133 AromaticContact CZ-CG 3.87Å; F75-Y133 HydrophobicContact CZ-CG 3.87Å; F75-F135 AromaticContact CD2-CE1 3.91Å; F75-F135 HydrophobicContact CD2-CE1 3.91Å; F75-F135 AromaticContact CD2-CZ 3.76Å; F75-F135 HydrophobicContact CD2-CZ 3.76Å; F75-F135 HydrophobicContact CE2-CD1 4.36Å; F75-F135 AromaticContact CE2-CE1 3.39Å; F75-F135 HydrophobicContact CE2-CE1 3.39Å; F75-F135 AromaticContact CE2-CZ 3.76Å; F75-F135 HydrophobicContact CE2-CZ 3.76Å; F75-F135 HydrophobicContact CZ-CE1 4.09Å; F75-I144 HydrophobicContact CD1-CD1 4.31Å; F75-I144 HydrophobicContact CE1-CD1 4.17Å; F75-I144 HydrophobicContact CE1-CG1 3.97Å; F75-I144 HydrophobicContact CE1-CG2 3.82Å; F75-I144 HydrophobicContact CE2-CG1 4.25Å; F75-I144 HydrophobicContact CZ-CD1 4.27Å; F75-I144 HydrophobicContact CZ-CG1 3.77Å; F75-I144 HydrophobicContact CZ-CG2 4.27Å
76	E	78.9	Confident	68.6	Low	97 Å²	97	54.3 Å²	54.3	45%	0.453	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	118.6	171.1	176.6	-175.3	-152.4	0	0	109.5	L78 V83 R84 V86	E76-L78 HydrophobicContact CG-CD2 4.19Å; E76-L78 PolarHBondContact O-N 2.99Å; E76-V83 CarbonylContact O-C 3.51Å; E76-V83 VanDerWaalsContact O-CA 3.27Å; E76-V83 WeakPolarHBondContact O-CA 3.45Å; E76-R84 HydrophobicContact CB-CB 4.43Å; E76-R84 PolarHBondContact N-O 2.86Å; E76-R84 PolarHBondContact O-N 2.79Å; E76-R84 IonicContact OE2-NE 3.02Å; E76-V86 HydrophobicContact CB-CG1 3.46Å; E76-V86 VanDerWaalsContact CB-CG1 3.46Å
77	L	72.8	Confident	70	Confident	44 Å²	44	53.2 Å²	53.2	23%	0.23	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	111.2	178.1	-169.8	68.1	0	0	0	110.6	K79 V83 M97 P363	L77-K79 WeakPolarHBondContact CD1-O 3.41Å; L77-V83 HydrophobicContact CD1-CG1 3.69Å; L77-M97 HydrophobicContact CD1-CE 3.54Å; L77-P363 HydrophobicContact CB-CB 4.12Å; L77-P363 HydrophobicContact CD2-CB 3.26Å; L77-P363 HydrophobicContact CG-CB 3.36Å
78	L	51.2	Low	71.2	Confident	46 Å²	46	50 Å²	50	24%	0.241	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-41.9	177.8	-58.8	-178.7	0	0	0	111.9	E76 L82 R84 L94 P363	E76-L78 HydrophobicContact CG-CD2 4.19Å; E76-L78 PolarHBondContact O-N 2.99Å; L78-L82 HydrophobicContact CB-CB 4.5Å; L78-L82 HydrophobicContact CB-CD2 4.14Å; L78-L82 HydrophobicContact CB-CG 4.14Å; L78-L82 HydrophobicContact CD1-CD2 4.08Å; L78-L82 HydrophobicContact CD1-CG 4.2Å; L78-L82 PolarHBondContact N-O 2.96Å; L78-R84 HydrophobicContact CD1-CB 4.11Å; L78-R84 HydrophobicContact CG-CB 4.27Å; L78-L94 HydrophobicContact CD1-CD2 3.4Å; L78-P363 WeakPolarHBondContact O-CG 3.48Å
79	K	58.8	Low	71.8	Confident	61 Å²	61	46.8 Å²	46.8	27%	0.265	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	168.4	176	-67.6	180	174.2	179.9	0	109.2	L77 F81 L82 A351 T359	L77-K79 WeakPolarHBondContact CD1-O 3.41Å; K79-F81 PolarHBondContact O-N 3.13Å; K79-L82 HydrophobicContact CB-CB 4.06Å; K79-L82 PolarHBondContact N-O 2.98Å; K79-L82 PolarHBondContact O-N 3.24Å; K79-A351 HydrophobicContact CD-CB 4.11Å; K79-A351 PolarHBondContact NZ-O 3.23Å; K79-T359 HydrophobicContact CD-CG2 3.78Å
80	V	57.7	Low	72.2	Confident	40 Å²	40	41.5 Å²	41.5	24%	0.242	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.8	-36.1	-168.5	175.1	0	0	0	0	115.1	F358 R361	V80-F358 HydrophobicContact CB-CB 4.47Å; V80-F358 WeakPolarHBondContact CB-O 3.15Å; V80-F358 WeakPolarHBondContact CG2-O 3.37Å; V80-R361 HydrophobicContact CG2-CB 3.98Å
81	F	73.4	Confident	72.6	Confident	50 Å²	50	41.5 Å²	41.5	22%	0.219	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	1.5	175.8	-52	-71.7	0	0	0	114.1	K79 A96 M97 F358	K79-F81 PolarHBondContact O-N 3.13Å; F81-A96 CarbonylContact O-C 3.48Å; F81-A96 WeakPolarHBondContact O-CA 3.49Å; F81-M97 WeakPolarHBondContact CD1-O 3.48Å; F81-M97 PolarHBondContact O-N 3.14Å; F81-F358 HydrophobicContact CE2-CB 4.35Å; F81-F358 AromaticContact CE2-CD1 3.84Å; F81-F358 HydrophobicContact CE2-CD1 3.84Å; F81-F358 HydrophobicContact CE2-CE1 4.4Å; F81-F358 HydrophobicContact CE2-CG 4.08Å
82	L	78.8	Confident	72.4	Confident	5 Å²	5	38.7 Å²	38.7	3%	0.026	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	119.8	179.9	179	60.7	0	0	0	108.8	L78 K79 L94 Y95 F147 A351	L78-L82 HydrophobicContact CB-CB 4.5Å; L78-L82 HydrophobicContact CB-CD2 4.14Å; L78-L82 HydrophobicContact CB-CG 4.14Å; L78-L82 HydrophobicContact CD1-CD2 4.08Å; L78-L82 HydrophobicContact CD1-CG 4.2Å; L78-L82 PolarHBondContact N-O 2.96Å; K79-L82 HydrophobicContact CB-CB 4.06Å; K79-L82 PolarHBondContact N-O 2.98Å; K79-L82 PolarHBondContact O-N 3.24Å; L82-L94 HydrophobicContact CD1-CB 3.98Å; L82-L94 HydrophobicContact CD1-CD1 3.84Å; L82-L94 HydrophobicContact CD1-CD2 4.18Å; L82-L94 HydrophobicContact CD1-CG 4.24Å; L82-L94 HydrophobicContact CD2-CD1 4.12Å; L82-L94 HydrophobicContact CG-CD1 4.45Å; L82-L94 HydrophobicContact CG-CD2 4.44Å; L82-Y95 WeakPolarHBondContact CD1-O 3.23Å; L82-F147 HydrophobicContact CD1-CD1 4.03Å; L82-F147 HydrophobicContact CD1-CD2 3.53Å; L82-F147 HydrophobicContact CD1-CE1 4.11Å; L82-F147 HydrophobicContact CD1-CE2 3.6Å; L82-F147 HydrophobicContact CD1-CG 3.75Å; L82-F147 HydrophobicContact CD1-CZ 3.9Å; L82-F147 HydrophobicContact CD2-CZ 4.39Å; L82-A351 HydrophobicContact CD2-CB 3.78Å
83	V	79.9	Confident	72.6	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	149.3	176.1	-63.2	0	0	0	0	110.9	F75 E76 L77 L94 Y95 M97 I144	F75-V83 HydrophobicContact CB-CB 4.03Å; F75-V83 HydrophobicContact CB-CG1 4.28Å; F75-V83 HydrophobicContact CB-CG2 4.32Å; F75-V83 HydrophobicContact CD1-CB 4.28Å; F75-V83 HydrophobicContact CD1-CG2 3.72Å; F75-V83 HydrophobicContact CG-CG2 4.34Å; E76-V83 CarbonylContact O-C 3.51Å; E76-V83 VanDerWaalsContact O-CA 3.27Å; E76-V83 WeakPolarHBondContact O-CA 3.45Å; L77-V83 HydrophobicContact CD1-CG1 3.69Å; V83-L94 CarbonylContact O-C 3.6Å; V83-L94 WeakPolarHBondContact O-CA 3.1Å; V83-Y95 PolarHBondContact N-O 3.5Å; V83-Y95 PolarHBondContact O-N 3.19Å; V83-M97 HydrophobicContact CB-CB 4.44Å; V83-M97 HydrophobicContact CG1-CB 3.66Å; V83-M97 HydrophobicContact CG1-CE 3.61Å; V83-M97 HydrophobicContact CG1-CG 4.31Å; V83-M97 HydrophobicContact CG1-SD 3.73Å; V83-M97 HydrophobicContact CG2-CB 3.91Å; V83-I144 HydrophobicContact CG2-CD1 4.25Å
84	R	81.7	Confident	72.7	Confident	25 Å²	25	36.2 Å²	36.2	9%	0.094	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	129.8	166.7	-172.7	-167.7	-52.1	-84.5	1.7	108.3	F75 E76 L78 V86 V93 L94 E349	F75-R84 CarbonylContact C-O 3.52Å; F75-R84 WeakPolarHBondContact CA-O 3.41Å; E76-R84 HydrophobicContact CB-CB 4.43Å; E76-R84 PolarHBondContact N-O 2.86Å; E76-R84 PolarHBondContact O-N 2.79Å; E76-R84 IonicContact OE2-NE 3.02Å; L78-R84 HydrophobicContact CD1-CB 4.11Å; L78-R84 HydrophobicContact CG-CB 4.27Å; R84-V86 PolarHBondContact O-N 3.29Å; R84-V93 WeakPolarHBondContact CA-O 3.38Å; R84-L94 HydrophobicContact CB-CD2 4.07Å; R84-L94 HydrophobicContact CG-CD2 4.36Å; R84-E349 IonicContact CZ-OE1 2.74Å; R84-E349 IonicContact CZ-OE2 3.16Å; R84-E349 IonicContact NH1-OE1 2.8Å; R84-E349 PolarHBondContact NH1-OE1 3.33Å; R84-E349 IonicContact NH1-OE2 3Å; R84-E349 IonicContact NH2-OE1 3.09Å; R84-E349 PolarHBondContact NH2-OE1 2.94Å; R84-E349 IonicContact NH2-OE2 3.61Å; R84-E349 PolarHBondContact NH2-OE2 3.43Å
85	K	82.3	Confident	73	Confident	4 Å²	4	35.9 Å²	35.9	2%	0.017	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	128.5	169.2	-171.1	85.4	176.6	-173.3	0	109.3	Q74 F75 V87 D90 A91 G92 V93 Y95 Y133	Q74-K85 WeakPolarHBondContact O-CA 3.09Å; F75-K85 HydrophobicContact CD1-CD 3.91Å; F75-K85 HydrophobicContact CE1-CB 4.4Å; F75-K85 HydrophobicContact CE1-CD 3.34Å; F75-K85 HydrophobicContact CE1-CG 4.48Å; F75-K85 HydrophobicContact CE2-CD 4.28Å; F75-K85 HydrophobicContact CZ-CD 3.56Å; F75-K85 VanDerWaalsContact CZ-NZ 3.3Å; K85-V87 WeakPolarHBondContact CE-O 3.11Å; K85-V87 WeakPolarHBondContact CG-O 3.46Å; K85-D90 WeakPolarHBondContact CB-O 3.28Å; K85-D90 WeakPolarHBondContact CD-OD2 3.49Å; K85-D90 WeakPolarHBondContact CG-OD1 3.46Å; K85-D90 WeakPolarHBondContact CG-OD2 3.23Å; K85-A91 CarbonylContact O-C 3.53Å; K85-A91 WeakPolarHBondContact O-CA 3.36Å; K85-G92 PolarHBondContact O-N 3.13Å; K85-V93 PolarHBondContact N-O 3.06Å; K85-Y95 HydrophobicContact CB-CD2 4.41Å; K85-Y95 HydrophobicContact CB-CE2 4.11Å; K85-Y133 HydrophobicContact CD-CE2 4.35Å
86	V	79.6	Confident	73.3	Confident	63 Å²	63	35.7 Å²	35.7	38%	0.382	20%	0.202	S	C	.	.			trans	-97.3	-24.4	-180	-68.9	0	0	0	0	113.8	S73 Q74 E76 R84	S73-V86 WeakPolarHBondContact O-CG2 3.45Å; Q74-V86 VanDerWaalsContact O-CG2 3.24Å; Q74-V86 WeakPolarHBondContact O-CG2 3.48Å; Q74-V86 PolarHBondContact O-N 3.23Å; E76-V86 HydrophobicContact CB-CG1 3.46Å; E76-V86 VanDerWaalsContact CB-CG1 3.46Å; R84-V86 PolarHBondContact O-N 3.29Å
87	V	68.8	Low	73.6	Confident	63 Å²	63	31.6 Å²	31.6	38%	0.382	18%	0.183	S	C	.	.	S	Bend	trans	-134.9	160.9	-176.8	-61.1	0	0	0	0	110.5	Q74 K85	Q74-V87 HydrophobicContact CB-CG2 3.61Å; Q74-V87 HydrophobicContact CG-CG2 3.5Å; K85-V87 WeakPolarHBondContact CE-O 3.11Å; K85-V87 WeakPolarHBondContact CG-O 3.46Å
88	G	67.6	Low	74.1	Confident	46 Å²	46	30.1 Å²	30.1	47%	0.474	17%	0.174	S	C	.	.	S	Bend	trans	84.7	-173	-175.5	0	0	0	0	0	112.6	D90 A91	G88-D90 PolarHBondContact O-N 3.35Å; G88-A91 WeakPolarHBondContact O-CB 3.32Å; G88-A91 PolarHBondContact O-N 2.96Å; G88-A91 VanDerWaalsContact O-N 3.11Å
89	K	65	Low	75.5	Confident	73 Å²	73	30 Å²	30	32%	0.317	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-30.2	-161.8	-54.4	-145.3	-168.3	-169.4	0	113.6	A91 L389 M390 D391 D392	K89-A91 VanDerWaalsContact C-N 3.28Å; K89-L389 WeakPolarHBondContact CB-O 3.38Å; K89-M390 VanDerWaalsContact CD-CA 3.47Å; K89-M390 PolarHBondContact NZ-O 2.96Å; K89-D391 IonicContact NZ-OD1 3.43Å; K89-D392 WeakPolarHBondContact CA-OD1 3.45Å
90	D	72.4	Confident	76.3	Confident	8 Å²	8	28.3 Å²	28.3	4%	0.043	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	14.7	171.8	60.9	-37.1	0	0	0	112.8	K85 G88 G92 V93 Y95 Y133 L389	K85-D90 WeakPolarHBondContact CB-O 3.28Å; K85-D90 WeakPolarHBondContact CD-OD2 3.49Å; K85-D90 WeakPolarHBondContact CG-OD1 3.46Å; K85-D90 WeakPolarHBondContact CG-OD2 3.23Å; G88-D90 PolarHBondContact O-N 3.35Å; D90-G92 PolarHBondContact O-N 2.88Å; D90-V93 HydrophobicContact CB-CB 4.16Å; D90-V93 HydrophobicContact CB-CG2 3.95Å; D90-V93 WeakPolarHBondContact O-CB 3.45Å; D90-V93 WeakPolarHBondContact O-CG2 3.46Å; D90-V93 PolarHBondContact O-N 3.28Å; D90-Y95 HydrophobicContact CB-CE2 4.24Å; D90-Y95 VanDerWaalsContact CB-OH 3.26Å; D90-Y95 WeakPolarHBondContact CB-OH 3.5Å; D90-Y95 WeakPolarHBondContact OD2-CE2 3.39Å; D90-Y95 PolarHBondContact OD2-OH 3.38Å; D90-Y95 VanDerWaalsContact OD2-OH 3.08Å; D90-Y133 PolarHBondContact OD1-OH 3.34Å; D90-Y133 VanDerWaalsContact OD2-CE2 3.28Å; D90-Y133 WeakPolarHBondContact OD2-CE2 3.37Å; D90-Y133 PolarHBondContact OD2-OH 3.05Å; D90-Y133 VanDerWaalsContact OD2-OH 3.07Å; D90-L389 HydrophobicContact CB-CD2 3.93Å
91	A	71.2	Confident	77	Confident	15 Å²	15	31.8 Å²	31.8	12%	0.124	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	125.6	177.1	0	0	0	0	0	111.6	K85 G88 K89	K85-A91 CarbonylContact O-C 3.53Å; K85-A91 WeakPolarHBondContact O-CA 3.36Å; G88-A91 WeakPolarHBondContact O-CB 3.32Å; G88-A91 PolarHBondContact O-N 2.96Å; G88-A91 VanDerWaalsContact O-N 3.11Å; K89-A91 VanDerWaalsContact C-N 3.28Å
92	G	68.6	Low	77	Confident	15 Å²	15	29.4 Å²	29.4	16%	0.155	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.3	-13.4	-174	0	0	0	0	0	114.5	K85 D90	K85-G92 PolarHBondContact O-N 3.13Å; D90-G92 PolarHBondContact O-N 2.88Å
93	V	78.7	Confident	76.4	Confident	60 Å²	60	31.9 Å²	31.9	36%	0.364	19%	0.192	S	C	.	.			trans	-70.9	141.1	173.6	-178.8	0	0	0	0	109.6	R84 K85 D90 Y95	R84-V93 WeakPolarHBondContact CA-O 3.38Å; K85-V93 PolarHBondContact N-O 3.06Å; D90-V93 HydrophobicContact CB-CB 4.16Å; D90-V93 HydrophobicContact CB-CG2 3.95Å; D90-V93 WeakPolarHBondContact O-CB 3.45Å; D90-V93 WeakPolarHBondContact O-CG2 3.46Å; D90-V93 PolarHBondContact O-N 3.28Å; V93-Y95 HydrophobicContact CB-CE2 3.76Å; V93-Y95 HydrophobicContact CG1-CD2 4.29Å; V93-Y95 HydrophobicContact CG1-CE1 4.01Å; V93-Y95 HydrophobicContact CG1-CE2 3.62Å; V93-Y95 VanDerWaalsContact CG1-CZ 3.48Å
94	L	81.7	Confident	75.6	Confident	14 Å²	14	36.6 Å²	36.6	7%	0.073	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	140.9	172.8	-67.6	-168.9	0	0	0	111.5	L78 L82 V83 R84 F147 A348 E349	L78-L94 HydrophobicContact CD1-CD2 3.4Å; L82-L94 HydrophobicContact CD1-CB 3.98Å; L82-L94 HydrophobicContact CD1-CD1 3.84Å; L82-L94 HydrophobicContact CD1-CD2 4.18Å; L82-L94 HydrophobicContact CD1-CG 4.24Å; L82-L94 HydrophobicContact CD2-CD1 4.12Å; L82-L94 HydrophobicContact CG-CD1 4.45Å; L82-L94 HydrophobicContact CG-CD2 4.44Å; V83-L94 CarbonylContact O-C 3.6Å; V83-L94 WeakPolarHBondContact O-CA 3.1Å; R84-L94 HydrophobicContact CB-CD2 4.07Å; R84-L94 HydrophobicContact CG-CD2 4.36Å; L94-F147 HydrophobicContact CB-CB 4.29Å; L94-F147 HydrophobicContact CB-CD1 3.91Å; L94-F147 HydrophobicContact CB-CG 4.28Å; L94-F147 HydrophobicContact CD1-CD1 3.78Å; L94-F147 HydrophobicContact CD1-CE1 3.76Å; L94-A348 WeakPolarHBondContact CD1-O 3.28Å; L94-A348 WeakPolarHBondContact CG-O 3.48Å; L94-E349 HydrophobicContact CD1-CB 4.42Å; L94-E349 WeakPolarHBondContact CD1-O 3.45Å
95	Y	85.1	Confident	74.7	Confident	7 Å²	7	36.4 Å²	36.4	3%	0.027	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	157.4	173.5	-63.4	-76.7	0	0	0	111.8	F75 L82 V83 K85 D90 V93 H132 I144 L389	F75-Y95 HydrophobicContact CE1-CD2 4.37Å; L82-Y95 WeakPolarHBondContact CD1-O 3.23Å; V83-Y95 PolarHBondContact N-O 3.5Å; V83-Y95 PolarHBondContact O-N 3.19Å; K85-Y95 HydrophobicContact CB-CD2 4.41Å; K85-Y95 HydrophobicContact CB-CE2 4.11Å; D90-Y95 HydrophobicContact CB-CE2 4.24Å; D90-Y95 VanDerWaalsContact CB-OH 3.26Å; D90-Y95 WeakPolarHBondContact CB-OH 3.5Å; D90-Y95 WeakPolarHBondContact OD2-CE2 3.39Å; D90-Y95 PolarHBondContact OD2-OH 3.38Å; D90-Y95 VanDerWaalsContact OD2-OH 3.08Å; V93-Y95 HydrophobicContact CB-CE2 3.76Å; V93-Y95 HydrophobicContact CG1-CD2 4.29Å; V93-Y95 HydrophobicContact CG1-CE1 4.01Å; V93-Y95 HydrophobicContact CG1-CE2 3.62Å; V93-Y95 VanDerWaalsContact CG1-CZ 3.48Å; Y95-H132 HydrophobicContact CD1-CB 4.28Å; Y95-H132 AromaticContact CD1-CD2 3.73Å; Y95-H132 AromaticContact CD1-CG 3.94Å; Y95-H132 HydrophobicContact CE1-CB 3.89Å; Y95-H132 AromaticContact CE1-CD2 3.44Å; Y95-H132 VanDerWaalsContact CE1-CD2 3.44Å; Y95-H132 WeakPolarHBondContact CE1-CD2 3.01Å; Y95-H132 AromaticContact CE1-CE1 3.78Å; Y95-H132 AromaticContact CE1-CG 3.35Å; Y95-H132 AromaticContact CE1-ND1 3.6Å; Y95-H132 AromaticContact CE1-NE2 3.69Å; Y95-I144 HydrophobicContact CD1-CG2 3.85Å; Y95-I144 HydrophobicContact CD2-CG2 3.95Å; Y95-I144 HydrophobicContact CG-CG2 3.41Å; Y95-I144 VanDerWaalsContact CG-CG2 3.41Å; Y95-L389 WeakPolarHBondContact OH-CD2 3.42Å
96	A	86	Confident	74	Confident	12 Å²	12	43.7 Å²	43.7	10%	0.099	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	117.4	166.9	0	0	0	0	0	109.2	F81 L145 F147	F81-A96 CarbonylContact O-C 3.48Å; F81-A96 WeakPolarHBondContact O-CA 3.49Å; A96-L145 HydrophobicContact CB-CB 4.44Å; A96-L145 PolarHBondContact N-O 3.33Å; A96-L145 PolarHBondContact O-N 2.98Å; A96-F147 HydrophobicContact CB-CD2 4.45Å
97	M	84.4	Confident	73.4	Confident	12 Å²	12	45.6 Å²	45.6	6%	0.059	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	115.9	176.1	-179.8	175.6	69.1	0	0	110.5	L77 F81 V83 V99 Y142 L143 I144	L77-M97 HydrophobicContact CD1-CE 3.54Å; F81-M97 WeakPolarHBondContact CD1-O 3.48Å; F81-M97 PolarHBondContact O-N 3.14Å; V83-M97 HydrophobicContact CB-CB 4.44Å; V83-M97 HydrophobicContact CG1-CB 3.66Å; V83-M97 HydrophobicContact CG1-CE 3.61Å; V83-M97 HydrophobicContact CG1-CG 4.31Å; V83-M97 HydrophobicContact CG1-SD 3.73Å; V83-M97 HydrophobicContact CG2-CB 3.91Å; M97-V99 HydrophobicContact CE-CG2 3.64Å; M97-V99 HydrophobicContact CG-CG2 3.78Å; M97-V99 HydrophobicContact SD-CG2 3.99Å; M97-Y142 HydrophobicContact CG-CD1 4.18Å; M97-Y142 HydrophobicContact SD-CD1 3.63Å; M97-Y142 HydrophobicContact SD-CE1 4.09Å; M97-L143 CarbonylContact C-O 3.48Å; M97-L143 WeakPolarHBondContact CA-O 3.43Å; M97-I144 HydrophobicContact CB-CD1 3.78Å; M97-I144 HydrophobicContact CG-CD1 3.65Å; M97-I144 HydrophobicContact SD-CD1 4.22Å
98	K	83.5	Confident	73.3	Confident	12 Å²	12	48.8 Å²	48.8	5%	0.052	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	122	168	-166.2	177.9	-173.9	171.1	0	108.6	M1 L100 E116 Y142 L143 D209	M1-K98 HydrophobicContact CE-CB 4.03Å; M1-K98 HydrophobicContact CE-CD 4.07Å; M1-K98 HydrophobicContact CE-CG 4.18Å; M1-K98 HydrophobicContact SD-CD 4.31Å; M1-K98 HydrophobicContact SD-CG 4.23Å; K98-L100 HydrophobicContact CD-CD1 4.46Å; K98-L100 HydrophobicContact CG-CD1 4.18Å; K98-E116 IonicContact NZ-OE1 3.23Å; K98-E116 PolarHBondContact NZ-OE1 2.9Å; K98-E116 IonicContact NZ-OE2 2.56Å; K98-E116 PolarHBondContact NZ-OE2 2.96Å; K98-Y142 WeakPolarHBondContact O-CA 3.3Å; K98-L143 HydrophobicContact CB-CB 4.21Å; K98-L143 HydrophobicContact CD-CD1 4.38Å; K98-L143 PolarHBondContact N-O 2.94Å; K98-L143 PolarHBondContact O-N 2.99Å; K98-D209 IonicContact NZ-OD1 3.79Å; K98-D209 PolarHBondContact NZ-OD1 2.68Å
99	V	80.2	Confident	73.4	Confident	43 Å²	43	49.3 Å²	49.3	26%	0.261	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.1	179.8	-173.3	0	0	0	0	110	M97 K140 L141 Y142	M97-V99 HydrophobicContact CE-CG2 3.64Å; M97-V99 HydrophobicContact CG-CG2 3.78Å; M97-V99 HydrophobicContact SD-CG2 3.99Å; V99-K140 HydrophobicContact CG1-CB 4.4Å; V99-K140 HydrophobicContact CG1-CD 3.8Å; V99-K140 HydrophobicContact CG1-CG 4.47Å; V99-L141 WeakPolarHBondContact CA-O 3.13Å; V99-Y142 HydrophobicContact CG1-CD1 4.29Å; V99-Y142 HydrophobicContact CG1-CE1 3.95Å; V99-Y142 HydrophobicContact CG2-CD1 3.86Å; V99-Y142 HydrophobicContact CG2-CE1 3.93Å
100	L	75	Confident	73.6	Confident	27 Å²	27	47.8 Å²	47.8	14%	0.141	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.6	175.4	-56.1	98.8	0	0	0	110.8	K98 L105 T113 K140 L141	K98-L100 HydrophobicContact CD-CD1 4.46Å; K98-L100 HydrophobicContact CG-CD1 4.18Å; L100-L105 HydrophobicContact CB-CD1 4.41Å; L100-L105 HydrophobicContact CD2-CD2 4.21Å; L100-T113 HydrophobicContact CD1-CG2 4.03Å; L100-T113 HydrophobicContact CD2-CG2 4.01Å; L100-T113 WeakPolarHBondContact CD2-OG1 3.21Å; L100-K140 CarbonylContact O-C 3.51Å; L100-K140 VanDerWaalsContact O-CA 3.23Å; L100-K140 WeakPolarHBondContact O-CA 3.4Å; L100-L141 HydrophobicContact CB-CB 4.35Å; L100-L141 HydrophobicContact CD1-CB 4.44Å; L100-L141 PolarHBondContact N-O 3.32Å; L100-L141 PolarHBondContact O-N 3Å
101	K	72.3	Confident	73.7	Confident	112 Å²	112	51.4 Å²	51.4	49%	0.487	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	119.4	177.2	-66	177	-178.7	177.7	0	110.1	A103 T104 L105 K140	K101-A103 VanDerWaalsContact C-N 3.3Å; K101-A103 PolarHBondContact O-N 3.49Å; K101-T104 HydrophobicContact CB-CG2 4.25Å; K101-T104 WeakPolarHBondContact CB-OG1 3.48Å; K101-T104 PolarHBondContact O-N 3.19Å; K101-T104 PolarHBondContact O-OG1 3.39Å; K101-L105 WeakPolarHBondContact O-CG 3.37Å; K101-K140 HydrophobicContact CG-CG 4.48Å
102	K	74.9	Confident	73.7	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-59.3	-39.1	-176	-70	176.8	172.2	179.4	0	113	T104 L105 T137 E138 G139 K140 L141 P371 F379	K102-T104 VanDerWaalsContact C-N 3.29Å; K102-T104 PolarHBondContact O-N 2.92Å; K102-L105 PolarHBondContact O-N 2.98Å; K102-T137 WeakPolarHBondContact CE-O 3.45Å; K102-T137 PolarHBondContact NZ-O 2.68Å; K102-E138 WeakPolarHBondContact CD-O 3.43Å; K102-G139 WeakPolarHBondContact CB-O 3.5Å; K102-G139 PolarHBondContact N-O 3.43Å; K102-K140 WeakPolarHBondContact CE-O 3.41Å; K102-L141 VanDerWaalsContact CE-CD2 3.46Å; K102-L141 HydrophobicContact CG-CG 4.19Å; K102-P371 HydrophobicContact CB-CB 4.09Å; K102-P371 HydrophobicContact CB-CG 3.78Å; K102-P371 HydrophobicContact CD-CG 4.01Å; K102-P371 HydrophobicContact CG-CG 4.49Å; K102-F379 HydrophobicContact CD-CD2 4.17Å; K102-F379 HydrophobicContact CD-CE2 4.3Å; K102-F379 HydrophobicContact CG-CD2 4.35Å; K102-F379 HydrophobicContact CG-CE2 4.02Å
103	A	64.9	Low	73.9	Confident	57 Å²	57	53.9 Å²	53.9	47%	0.471	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-67.1	-24.7	-178.6	0	0	0	0	0	114.1	K101	K101-A103 VanDerWaalsContact C-N 3.3Å; K101-A103 PolarHBondContact O-N 3.49Å
104	T	64.1	Low	73.7	Confident	101 Å²	101	53.9 Å²	53.9	62%	0.62	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-93.1	-11.1	-179	59.9	0	0	0	0	113.2	K101 K102 K106	K101-T104 HydrophobicContact CB-CG2 4.25Å; K101-T104 WeakPolarHBondContact CB-OG1 3.48Å; K101-T104 PolarHBondContact O-N 3.19Å; K101-T104 PolarHBondContact O-OG1 3.39Å; K102-T104 VanDerWaalsContact C-N 3.29Å; K102-T104 PolarHBondContact O-N 2.92Å; T104-K106 PolarHBondContact O-N 3.06Å
105	L	63.3	Low	73.5	Confident	20 Å²	20	54.9 Å²	54.9	11%	0.105	29%	0.294	C	S	.	.			trans	-76.9	120.7	-178.8	-67.3	171	0	0	0	110.6	L100 K101 K102 D109 R110 L141 F379	L100-L105 HydrophobicContact CB-CD1 4.41Å; L100-L105 HydrophobicContact CD2-CD2 4.21Å; K101-L105 WeakPolarHBondContact O-CG 3.37Å; K102-L105 PolarHBondContact O-N 2.98Å; L105-D109 HydrophobicContact CB-CB 4.26Å; L105-D109 HydrophobicContact CD2-CB 3.72Å; L105-R110 HydrophobicContact CB-CG 3.6Å; L105-R110 HydrophobicContact CD1-CG 4.26Å; L105-R110 PolarHBondContact O-NE 3.4Å; L105-L141 HydrophobicContact CD1-CD1 4.26Å; L105-F379 HydrophobicContact CD1-CZ 4.13Å
106	K	67.2	Low	73.4	Confident	158 Å²	158	54.9 Å²	54.9	69%	0.687	29%	0.294	S	S	*	.			trans	-65.7	157.7	166.2	-61.2	179.1	179.6	177.1	0	109	T104 N108 D109 R110	T104-K106 PolarHBondContact O-N 3.06Å; K106-N108 PolarHBondContact O-N 3.11Å; K106-N108 VanDerWaalsContact O-N 3.15Å; K106-D109 WeakPolarHBondContact CB-OD2 3.2Å; K106-D109 PolarHBondContact N-OD2 3.09Å; K106-D109 WeakPolarHBondContact O-CA 3.25Å; K106-D109 WeakPolarHBondContact O-CB 3.48Å; K106-D109 PolarHBondContact O-N 3.45Å; K106-R110 WeakPolarHBondContact O-CG 3.3Å; K106-R110 PolarHBondContact O-N 2.92Å; K106-R110 VanDerWaalsContact O-N 3.11Å
107	V	67.6	Low	73.2	Confident	102 Å²	102	55 Å²	55	62%	0.618	29%	0.292	S	S	*	.	H	α-helix	trans	-48.8	-47.3	-177.2	178.8	0	0	0	0	112	D109 R110 T111	V107-D109 VanDerWaalsContact C-N 3.33Å; V107-D109 PolarHBondContact O-N 3.38Å; V107-R110 WeakPolarHBondContact O-CB 3.32Å; V107-R110 PolarHBondContact O-N 3.36Å; V107-T111 PolarHBondContact O-N 3.37Å; V107-T111 PolarHBondContact O-OG1 2.76Å
108	N	66.7	Low	73	Confident	130 Å²	130	56.4 Å²	56.4	70%	0.695	30%	0.3	S	S	*	.	H	α-helix	trans	-64.1	-34.8	178.5	-66.6	-9.1	0	0	0	113.4	K106 R110 R112	K106-N108 PolarHBondContact O-N 3.11Å; K106-N108 VanDerWaalsContact O-N 3.15Å; N108-R110 VanDerWaalsContact C-N 3.3Å; N108-R110 PolarHBondContact O-N 2.77Å; N108-R112 VanDerWaalsContact O-CB 3.32Å; N108-R112 WeakPolarHBondContact O-CB 3.35Å; N108-R112 PolarHBondContact O-N 3.16Å
109	D	67.7	Low	73	Confident	57 Å²	57	55.9 Å²	55.9	31%	0.305	30%	0.298	S	S	.	.	H	α-helix	trans	-69.1	-32.3	178.2	-57.7	-33.9	0	0	0	110.8	L105 K106 V107 R112 T113	L105-D109 HydrophobicContact CB-CB 4.26Å; L105-D109 HydrophobicContact CD2-CB 3.72Å; K106-D109 WeakPolarHBondContact CB-OD2 3.2Å; K106-D109 PolarHBondContact N-OD2 3.09Å; K106-D109 WeakPolarHBondContact O-CA 3.25Å; K106-D109 WeakPolarHBondContact O-CB 3.48Å; K106-D109 PolarHBondContact O-N 3.45Å; V107-D109 VanDerWaalsContact C-N 3.33Å; V107-D109 PolarHBondContact O-N 3.38Å; D109-R112 WeakPolarHBondContact O-CB 3.48Å; D109-R112 PolarHBondContact O-N 2.85Å; D109-T113 PolarHBondContact O-N 3.05Å; D109-T113 PolarHBondContact O-OG1 3.28Å
110	R	71.2	Confident	73.2	Confident	41 Å²	41	54 Å²	54	16%	0.155	29%	0.286	C	S	.	.	H	α-helix	trans	-66.6	-46.6	176.5	-55.6	-177.1	-179.7	166.1	-5	111.9	L105 K106 V107 N108 R112 T113 K114 L378 F379	L105-R110 HydrophobicContact CB-CG 3.6Å; L105-R110 HydrophobicContact CD1-CG 4.26Å; L105-R110 PolarHBondContact O-NE 3.4Å; K106-R110 WeakPolarHBondContact O-CG 3.3Å; K106-R110 PolarHBondContact O-N 2.92Å; K106-R110 VanDerWaalsContact O-N 3.11Å; V107-R110 WeakPolarHBondContact O-CB 3.32Å; V107-R110 PolarHBondContact O-N 3.36Å; N108-R110 VanDerWaalsContact C-N 3.3Å; N108-R110 PolarHBondContact O-N 2.77Å; R110-R112 VanDerWaalsContact C-N 3.26Å; R110-R112 PolarHBondContact O-N 2.67Å; R110-T113 PolarHBondContact O-N 3.21Å; R110-K114 PolarHBondContact O-N 3.19Å; R110-K114 VanDerWaalsContact O-N 3.11Å; R110-L378 HydrophobicContact CB-CD2 3.41Å; R110-L378 VanDerWaalsContact CB-CD2 3.41Å; R110-L378 HydrophobicContact CG-CD2 4.47Å; R110-F379 HydrophobicContact CB-CE1 4.09Å; R110-F379 HydrophobicContact CB-CZ 3.74Å; R110-F379 HydrophobicContact CG-CE2 4.49Å; R110-F379 HydrophobicContact CG-CZ 3.74Å
111	T	72.9	Confident	73.5	Confident	84 Å²	84	54.4 Å²	54.4	52%	0.515	29%	0.293	S	S	.	.	H	α-helix	trans	-59.8	-41.8	175.2	-51.5	0	0	0	0	110.6	V107 K114 A115	V107-T111 PolarHBondContact O-N 3.37Å; V107-T111 PolarHBondContact O-OG1 2.76Å; T111-K114 PolarHBondContact O-N 2.62Å; T111-A115 WeakPolarHBondContact O-CB 3.11Å; T111-A115 PolarHBondContact O-N 2.85Å
112	R	70.8	Confident	73.7	Confident	77 Å²	77	54.6 Å²	54.6	29%	0.291	30%	0.296	S	S	.	.	H	α-helix	trans	-62.1	-45	177.1	-179.4	177	-107.6	-166	-10.5	112.9	N108 D109 R110 K114 A115 E116 G211	N108-R112 VanDerWaalsContact O-CB 3.32Å; N108-R112 WeakPolarHBondContact O-CB 3.35Å; N108-R112 PolarHBondContact O-N 3.16Å; D109-R112 WeakPolarHBondContact O-CB 3.48Å; D109-R112 PolarHBondContact O-N 2.85Å; R110-R112 VanDerWaalsContact C-N 3.26Å; R110-R112 PolarHBondContact O-N 2.67Å; R112-K114 VanDerWaalsContact C-N 3.34Å; R112-K114 PolarHBondContact O-N 2.56Å; R112-A115 PolarHBondContact O-N 3.41Å; R112-E116 WeakPolarHBondContact O-CB 3.1Å; R112-E116 PolarHBondContact O-N 2.91Å; R112-G211 WeakPolarHBondContact CD-O 3.36Å; R112-G211 WeakPolarHBondContact CG-O 3.3Å; R112-G211 PolarHBondContact NE-O 3.48Å
113	T	72.7	Confident	74	Confident	5 Å²	5	55.2 Å²	55.2	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-64.5	-37.6	176.9	-56.5	0	0	0	0	112.4	L100 D109 R110 R117 L141 F382	L100-T113 HydrophobicContact CD1-CG2 4.03Å; L100-T113 HydrophobicContact CD2-CG2 4.01Å; L100-T113 WeakPolarHBondContact CD2-OG1 3.21Å; D109-T113 PolarHBondContact O-N 3.05Å; D109-T113 PolarHBondContact O-OG1 3.28Å; R110-T113 PolarHBondContact O-N 3.21Å; T113-R117 PolarHBondContact O-N 2.77Å; T113-R117 VanDerWaalsContact O-N 3.11Å; T113-L141 HydrophobicContact CG2-CD1 3.75Å; T113-F382 HydrophobicContact CG2-CE2 4.22Å
114	K	76.1	Confident	74.7	Confident	61 Å²	61	57.4 Å²	57.4	27%	0.265	30%	0.303	S	S	.	.	H	α-helix	trans	-65.6	-42.9	175	-168.8	173.4	-174.5	169.4	0	111.2	R110 T111 R112 R117 N118 L378	R110-K114 PolarHBondContact O-N 3.19Å; R110-K114 VanDerWaalsContact O-N 3.11Å; T111-K114 PolarHBondContact O-N 2.62Å; R112-K114 VanDerWaalsContact C-N 3.34Å; R112-K114 PolarHBondContact O-N 2.56Å; K114-R117 PolarHBondContact O-N 3.38Å; K114-N118 VanDerWaalsContact O-CG 3.23Å; K114-N118 PolarHBondContact O-N 3.03Å; K114-N118 PolarHBondContact O-OD1 3.3Å; K114-L378 PolarHBondContact NZ-O 2.89Å; K114-L378 VanDerWaalsContact NZ-O 3.16Å
115	A	76.6	Confident	75.8	Confident	35 Å²	35	52.9 Å²	52.9	29%	0.289	27%	0.274	S	S	.	.	H	α-helix	trans	-63.2	-44.9	175.1	0	0	0	0	0	112.3	T111 R112 R117 N118 I119	T111-A115 WeakPolarHBondContact O-CB 3.11Å; T111-A115 PolarHBondContact O-N 2.85Å; R112-A115 PolarHBondContact O-N 3.41Å; A115-R117 VanDerWaalsContact C-N 3.33Å; A115-R117 PolarHBondContact O-N 2.84Å; A115-N118 PolarHBondContact O-N 3.05Å; A115-N118 VanDerWaalsContact O-N 3.15Å; A115-I119 WeakPolarHBondContact O-CB 3.23Å; A115-I119 WeakPolarHBondContact O-CG1 3.33Å; A115-I119 PolarHBondContact O-N 3.48Å
116	E	82.4	Confident	77.1	Confident	6 Å²	6	53.8 Å²	53.8	3%	0.028	28%	0.282	C	S	.	.	H	α-helix	trans	-54.9	-48.1	175.6	175.9	173.9	-160.1	0	0	111.2	K98 R112 I119 L120 L143 F210	K98-E116 IonicContact NZ-OE1 3.23Å; K98-E116 PolarHBondContact NZ-OE1 2.9Å; K98-E116 IonicContact NZ-OE2 2.56Å; K98-E116 PolarHBondContact NZ-OE2 2.96Å; R112-E116 WeakPolarHBondContact O-CB 3.1Å; R112-E116 PolarHBondContact O-N 2.91Å; E116-I119 PolarHBondContact O-N 2.98Å; E116-L120 HydrophobicContact CG-CD1 3.91Å; E116-L120 WeakPolarHBondContact O-CB 2.88Å; E116-L120 WeakPolarHBondContact O-CG 2.82Å; E116-L120 PolarHBondContact O-N 3.18Å; E116-L143 HydrophobicContact CG-CD1 4.45Å; E116-F210 HydrophobicContact CG-CB 4.01Å
117	R	82.9	Confident	78.3	Confident	14 Å²	14	46.2 Å²	46.2	5%	0.053	25%	0.249	C	C	.	.	H	α-helix	trans	-61.6	-45.1	176.3	-175.6	-80.4	-57.3	-166.9	-13.4	111.9	T113 K114 A115 L120 A121 L131 A134 L143 G381 F382	T113-R117 PolarHBondContact O-N 2.77Å; T113-R117 VanDerWaalsContact O-N 3.11Å; K114-R117 PolarHBondContact O-N 3.38Å; A115-R117 VanDerWaalsContact C-N 3.33Å; A115-R117 PolarHBondContact O-N 2.84Å; R117-L120 PolarHBondContact O-N 3.36Å; R117-A121 WeakPolarHBondContact O-CB 3.45Å; R117-A121 PolarHBondContact O-N 3.42Å; R117-L131 HydrophobicContact CG-CD2 4.15Å; R117-A134 HydrophobicContact CG-CB 3.96Å; R117-L143 HydrophobicContact CB-CD2 4.07Å; R117-L143 HydrophobicContact CG-CD2 3.88Å; R117-G381 PolarHBondContact NH2-O 2.65Å; R117-F382 HydrophobicContact CB-CE2 4.08Å; R117-F382 HydrophobicContact CG-CD2 4.46Å; R117-F382 HydrophobicContact CG-CE2 4.15Å; R117-F382 HydrophobicContact CG-CZ 4.43Å
118	N	81.1	Confident	79.5	Confident	43 Å²	43	41.5 Å²	41.5	23%	0.23	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-42.6	180	-72.9	-2.5	0	0	0	112.2	K114 A115 Q122	K114-N118 VanDerWaalsContact O-CG 3.23Å; K114-N118 PolarHBondContact O-N 3.03Å; K114-N118 PolarHBondContact O-OD1 3.3Å; A115-N118 PolarHBondContact O-N 3.05Å; A115-N118 VanDerWaalsContact O-N 3.15Å; N118-Q122 WeakPolarHBondContact O-CG 3.24Å; N118-Q122 PolarHBondContact O-N 3.42Å; N118-Q122 PolarHBondContact O-NE2 2.94Å
119	I	82.7	Confident	80.6	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-53.3	176.8	-75.9	168.9	0	0	0	109.7	A115 E116 A121 Q122 I123 I187 F210 E215	A115-I119 WeakPolarHBondContact O-CB 3.23Å; A115-I119 WeakPolarHBondContact O-CG1 3.33Å; A115-I119 PolarHBondContact O-N 3.48Å; E116-I119 PolarHBondContact O-N 2.98Å; I119-A121 VanDerWaalsContact C-N 3.26Å; I119-A121 PolarHBondContact O-N 3.39Å; I119-Q122 PolarHBondContact O-N 3.11Å; I119-I123 HydrophobicContact CG2-CD1 3.46Å; I119-I123 VanDerWaalsContact CG2-CD1 3.46Å; I119-I123 HydrophobicContact CG2-CG1 4.47Å; I119-I123 WeakPolarHBondContact O-CD1 3.45Å; I119-I123 WeakPolarHBondContact O-CG1 3.27Å; I119-I123 PolarHBondContact O-N 3.16Å; I119-I187 HydrophobicContact CB-CD1 4.47Å; I119-I187 HydrophobicContact CD1-CG2 4.18Å; I119-I187 HydrophobicContact CG1-CD1 4.17Å; I119-I187 HydrophobicContact CG2-CD1 3.9Å; I119-I187 HydrophobicContact CG2-CG2 4.37Å; I119-F210 HydrophobicContact CG2-CB 4.46Å; I119-F210 HydrophobicContact CG2-CD1 3.77Å; I119-F210 HydrophobicContact CG2-CE1 4.49Å; I119-F210 HydrophobicContact CG2-CG 4.35Å; I119-E215 HydrophobicContact CD1-CG 4.47Å; I119-E215 HydrophobicContact CG1-CG 4.25Å
120	L	84.6	Confident	81.6	Confident	4 Å²	4	35.3 Å²	35.3	2%	0.021	18%	0.184	C	C	.	.	H	α-helix	trans	-63.3	-30.1	-178.3	-76.1	169.1	0	0	0	113.5	E116 R117 Q122 V129 L131 L145 F210	E116-L120 HydrophobicContact CG-CD1 3.91Å; E116-L120 WeakPolarHBondContact O-CB 2.88Å; E116-L120 WeakPolarHBondContact O-CG 2.82Å; E116-L120 PolarHBondContact O-N 3.18Å; R117-L120 PolarHBondContact O-N 3.36Å; L120-Q122 VanDerWaalsContact C-N 3.26Å; L120-Q122 PolarHBondContact O-N 3.12Å; L120-V129 HydrophobicContact CD2-CG2 4.11Å; L120-L131 HydrophobicContact CB-CB 3.87Å; L120-L131 HydrophobicContact CB-CD2 4.15Å; L120-L145 HydrophobicContact CD1-CD2 3.9Å; L120-F210 HydrophobicContact CD2-CD2 3.55Å; L120-F210 HydrophobicContact CD2-CE2 3.93Å; L120-F210 HydrophobicContact CD2-CG 4.1Å; L120-F210 HydrophobicContact CG-CB 4.37Å; L120-F210 HydrophobicContact CG-CD2 4.2Å; L120-F210 HydrophobicContact CG-CG 4.35Å
121	A	80.5	Confident	82.4	Confident	35 Å²	35	33.6 Å²	33.6	29%	0.289	18%	0.178	S	C	.	.	H	α-helix	trans	-70.5	-21.1	176.5	0	0	0	0	0	113.4	R117 I119 L131 F384	R117-A121 WeakPolarHBondContact O-CB 3.45Å; R117-A121 PolarHBondContact O-N 3.42Å; I119-A121 VanDerWaalsContact C-N 3.26Å; I119-A121 PolarHBondContact O-N 3.39Å; A121-L131 HydrophobicContact CB-CD2 4.37Å; A121-F384 HydrophobicContact CB-CD2 4.27Å; A121-F384 HydrophobicContact CB-CE2 4.02Å; A121-F384 HydrophobicContact CB-CZ 4.3Å
122	Q	77.1	Confident	82.9	Confident	116 Å²	116	30.3 Å²	30.3	54%	0.542	16%	0.157	S	C	.	.	H	α-helix	trans	-96.2	-15.5	-179.4	-68.2	173	66.6	0	0	113.1	N118 I119 L120	N118-Q122 WeakPolarHBondContact O-CG 3.24Å; N118-Q122 PolarHBondContact O-N 3.42Å; N118-Q122 PolarHBondContact O-NE2 2.94Å; I119-Q122 PolarHBondContact O-N 3.11Å; L120-Q122 VanDerWaalsContact C-N 3.26Å; L120-Q122 PolarHBondContact O-N 3.12Å
123	I	80.7	Confident	83.6	Confident	13 Å²	13	27.2 Å²	27.2	7%	0.067	15%	0.146	C	C	.	.			trans	-87.6	130.7	-175.1	-67.5	161.7	0	0	0	110.9	I119 H125 I128 L182 L185 F210	I119-I123 HydrophobicContact CG2-CD1 3.46Å; I119-I123 VanDerWaalsContact CG2-CD1 3.46Å; I119-I123 HydrophobicContact CG2-CG1 4.47Å; I119-I123 WeakPolarHBondContact O-CD1 3.45Å; I119-I123 WeakPolarHBondContact O-CG1 3.27Å; I119-I123 PolarHBondContact O-N 3.16Å; I123-H125 HydrophobicContact CG2-CB 4.27Å; I123-I128 HydrophobicContact CD1-CG2 4.44Å; I123-I128 HydrophobicContact CG2-CB 3.9Å; I123-I128 HydrophobicContact CG2-CD1 3.79Å; I123-I128 HydrophobicContact CG2-CG1 4.44Å; I123-I128 HydrophobicContact CG2-CG2 3.69Å; I123-L182 HydrophobicContact CD1-CD2 3.46Å; I123-L182 VanDerWaalsContact CD1-CD2 3.46Å; I123-L182 HydrophobicContact CG1-CD2 4.09Å; I123-L185 HydrophobicContact CG1-CD1 4.24Å; I123-F210 HydrophobicContact CD1-CD1 4.3Å; I123-F210 HydrophobicContact CD1-CE1 3.93Å; I123-F210 HydrophobicContact CD1-CZ 4.35Å
124	N	79	Confident	84.2	Confident	102 Å²	102	27 Å²	27	55%	0.545	14%	0.144	S	C	.	.			trans	-138.5	94.6	166.5	-177.3	31.4	0	0	0	109.3	K130	N124-K130 WeakPolarHBondContact OD1-CE 3.21Å; N124-K130 PolarHBondContact OD1-NZ 3.5Å
125	H	87.9	Confident	84.7	Confident	6 Å²	6	24.3 Å²	24.3	3%	0.028	13%	0.132	C	C	.	.			trans	-143.1	140.9	-175.7	-169.2	-93.2	0	0	0	110.1	I123 F127 I128 L177 H181 Y333	I123-H125 HydrophobicContact CG2-CB 4.27Å; H125-F127 AromaticContact CE1-CD2 3.73Å; H125-F127 PolarHBondContact ND1-N 3.07Å; H125-F127 PolarHBondContact O-N 3.02Å; H125-I128 HydrophobicContact CB-CB 4.21Å; H125-I128 HydrophobicContact CB-CD1 3.85Å; H125-I128 HydrophobicContact CB-CG1 4.06Å; H125-I128 PolarHBondContact O-N 3.11Å; H125-L177 PolarHBondContact NE2-O 3Å; H125-H181 AromaticContact CD2-CG 3.72Å; H125-Y333 AromaticContact CD2-CE2 3.67Å; H125-Y333 AromaticContact NE2-CD2 3.8Å; H125-Y333 AromaticContact NE2-CE2 3.4Å; H125-Y333 WeakPolarHBondContact NE2-CE2 3.48Å
126	P	90	Very high	84.9	Confident	39 Å²	39	25.2 Å²	25.2	25%	0.253	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.4	-176.8	22.2	-34.2	0	0	0	114.1	Y333	P126-Y333 HydrophobicContact CG-CD2 4.23Å; P126-Y333 HydrophobicContact CG-CE2 4.13Å; P126-Y333 WeakPolarHBondContact CG-O 3.44Å
127	F	94.2	Very high	84.8	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	25.4	-176.5	-51.2	-47.8	0	0	0	113.7	H125 E174 L177 A178 H204 I205 A206 L207 L332 R335	H125-F127 AromaticContact CE1-CD2 3.73Å; H125-F127 PolarHBondContact ND1-N 3.07Å; H125-F127 PolarHBondContact O-N 3.02Å; F127-E174 HydrophobicContact CD1-CB 4.29Å; F127-E174 HydrophobicContact CD1-CG 4.45Å; F127-E174 HydrophobicContact CD2-CB 3.9Å; F127-E174 HydrophobicContact CD2-CG 4.37Å; F127-E174 WeakPolarHBondContact CD2-O 3.37Å; F127-E174 HydrophobicContact CE1-CB 4.31Å; F127-E174 HydrophobicContact CE1-CG 4Å; F127-E174 VanDerWaalsContact CE1-OE1 3.31Å; F127-E174 WeakPolarHBondContact CE1-OE1 3.34Å; F127-E174 HydrophobicContact CE2-CB 3.94Å; F127-E174 HydrophobicContact CE2-CG 3.92Å; F127-E174 HydrophobicContact CG-CB 4.09Å; F127-E174 HydrophobicContact CZ-CB 4.13Å; F127-E174 HydrophobicContact CZ-CG 3.71Å; F127-E174 WeakPolarHBondContact CZ-OE1 3.39Å; F127-L177 HydrophobicContact CD2-CB 4.15Å; F127-L177 HydrophobicContact CD2-CD1 4.36Å; F127-L177 HydrophobicContact CE2-CB 4.41Å; F127-L177 HydrophobicContact CE2-CD1 3.79Å; F127-A178 HydrophobicContact CB-CB 4.04Å; F127-H204 HydrophobicContact CD1-CB 4.39Å; F127-H204 HydrophobicContact CE1-CB 4.04Å; F127-H204 AromaticContact CE1-ND1 3.89Å; F127-I205 WeakPolarHBondContact CA-O 3.39Å; F127-I205 HydrophobicContact CB-CG1 4.39Å; F127-I205 WeakPolarHBondContact CD1-O 3.36Å; F127-A206 VanDerWaalsContact O-CA 3.28Å; F127-A206 WeakPolarHBondContact O-CA 3.49Å; F127-L207 PolarHBondContact O-N 2.75Å; F127-L332 HydrophobicContact CZ-CG 4.46Å; F127-L332 VanDerWaalsContact CZ-O 3.31Å; F127-L332 WeakPolarHBondContact CZ-O 3.47Å; F127-R335 HydrophobicContact CE1-CG 4.12Å; F127-R335 HydrophobicContact CZ-CG 4.37Å
128	I	92.4	Very high	84.4	Confident	3 Å²	3	33 Å²	33	2%	0.015	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-135.2	136.1	174.5	-58.5	173.7	0	0	0	108.8	I123 H125 K130 A178 L182 L207 F210	I123-I128 HydrophobicContact CD1-CG2 4.44Å; I123-I128 HydrophobicContact CG2-CB 3.9Å; I123-I128 HydrophobicContact CG2-CD1 3.79Å; I123-I128 HydrophobicContact CG2-CG1 4.44Å; I123-I128 HydrophobicContact CG2-CG2 3.69Å; H125-I128 HydrophobicContact CB-CB 4.21Å; H125-I128 HydrophobicContact CB-CD1 3.85Å; H125-I128 HydrophobicContact CB-CG1 4.06Å; H125-I128 PolarHBondContact O-N 3.11Å; I128-K130 PolarHBondContact O-N 3.23Å; I128-A178 HydrophobicContact CD1-CB 4.34Å; I128-A178 HydrophobicContact CG1-CB 3.93Å; I128-L182 HydrophobicContact CD1-CD1 4.36Å; I128-L182 HydrophobicContact CD1-CD2 3.87Å; I128-L182 HydrophobicContact CD1-CG 3.87Å; I128-L207 HydrophobicContact CG1-CB 4.48Å; I128-F210 HydrophobicContact CG2-CE1 4.38Å; I128-F210 HydrophobicContact CG2-CE2 3.65Å; I128-F210 HydrophobicContact CG2-CZ 3.34Å
129	V	89.9	Confident	83.9	Confident	2 Å²	2	31 Å²	31	1%	0.012	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-58	133.9	177.2	-65.9	0	0	0	0	111.7	L120 D146 L148 A206 L207 F210	L120-V129 HydrophobicContact CD2-CG2 4.11Å; V129-D146 HydrophobicContact CB-CB 4.45Å; V129-L148 HydrophobicContact CG1-CD1 3.47Å; V129-L148 VanDerWaalsContact CG1-CD1 3.47Å; V129-L148 HydrophobicContact CG1-CG 4.26Å; V129-A206 HydrophobicContact CG1-CB 4.42Å; V129-L207 WeakPolarHBondContact CG2-O 3.45Å; V129-L207 PolarHBondContact N-O 3.42Å; V129-F210 HydrophobicContact CG2-CE2 4.19Å
130	K	87.1	Confident	83.8	Confident	54 Å²	54	31.3 Å²	31.3	24%	0.235	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-87.4	143.2	175.6	-60.1	-175.5	-178	-171.4	0	111.2	N124 I128 L145 D146	N124-K130 WeakPolarHBondContact OD1-CE 3.21Å; N124-K130 PolarHBondContact OD1-NZ 3.5Å; I128-K130 PolarHBondContact O-N 3.23Å; K130-L145 VanDerWaalsContact O-CA 3.29Å; K130-L145 WeakPolarHBondContact O-CA 3.49Å; K130-D146 VanDerWaalsContact CB-OD2 3.31Å; K130-D146 WeakPolarHBondContact CB-OD2 3.17Å; K130-D146 WeakPolarHBondContact CG-OD2 3.18Å; K130-D146 PolarHBondContact N-OD2 2.99Å; K130-D146 PolarHBondContact O-N 3.47Å; K130-D146 VanDerWaalsContact O-N 3.09Å
131	L	88.4	Confident	83.7	Confident	6 Å²	6	31.1 Å²	31.1	3%	0.031	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	124.8	165.6	178.9	71	0	0	0	109.4	R117 L120 A121 Y133 A134 L143 L145 F384	R117-L131 HydrophobicContact CG-CD2 4.15Å; L120-L131 HydrophobicContact CB-CB 3.87Å; L120-L131 HydrophobicContact CB-CD2 4.15Å; A121-L131 HydrophobicContact CB-CD2 4.37Å; L131-Y133 VanDerWaalsContact CD1-O 3.28Å; L131-Y133 WeakPolarHBondContact CD1-O 3.42Å; L131-A134 HydrophobicContact CD2-CB 4.47Å; L131-L143 HydrophobicContact CD1-CB 4.01Å; L131-L143 HydrophobicContact CD1-CD2 3.93Å; L131-L145 HydrophobicContact CB-CD2 4.13Å; L131-L145 HydrophobicContact CD1-CD2 3.7Å; L131-F384 HydrophobicContact CB-CE1 4.47Å; L131-F384 HydrophobicContact CD2-CD1 3.8Å; L131-F384 HydrophobicContact CD2-CE1 4.1Å; L131-F384 HydrophobicContact CD2-CG 4.43Å; L131-F384 HydrophobicContact CG-CD1 3.93Å; L131-F384 HydrophobicContact CG-CE1 4.05Å; L131-F384 WeakPolarHBondContact O-CE1 3.46Å
132	H	84.1	Confident	83.8	Confident	15 Å²	15	29.7 Å²	29.7	7%	0.069	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-44.9	179.9	-71	-88.4	0	0	0	111.7	Y95 I144 D146 I385 A386 L389	Y95-H132 HydrophobicContact CD1-CB 4.28Å; Y95-H132 AromaticContact CD1-CD2 3.73Å; Y95-H132 AromaticContact CD1-CG 3.94Å; Y95-H132 HydrophobicContact CE1-CB 3.89Å; Y95-H132 AromaticContact CE1-CD2 3.44Å; Y95-H132 VanDerWaalsContact CE1-CD2 3.44Å; Y95-H132 WeakPolarHBondContact CE1-CD2 3.01Å; Y95-H132 AromaticContact CE1-CE1 3.78Å; Y95-H132 AromaticContact CE1-CG 3.35Å; Y95-H132 AromaticContact CE1-ND1 3.6Å; Y95-H132 AromaticContact CE1-NE2 3.69Å; H132-I144 HydrophobicContact CB-CG2 4.38Å; H132-I144 PolarHBondContact N-O 3.29Å; H132-D146 IonicContact CD2-OD1 3.67Å; H132-D146 IonicContact CE1-OD1 2.68Å; H132-D146 IonicContact NE2-OD1 2.86Å; H132-D146 PolarHBondContact NE2-OD1 3.35Å; H132-I385 WeakPolarHBondContact O-CA 3.44Å; H132-A386 PolarHBondContact O-N 3.42Å; H132-L389 HydrophobicContact CB-CD1 3.79Å
133	Y	85.9	Confident	84.2	Confident	12 Å²	12	24.2 Å²	24.2	5%	0.047	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.5	177.5	-54.7	-95.9	0	0	0	110.8	F75 K85 D90 L131 I144 F384 I385 L389	F75-Y133 HydrophobicContact CE1-CD2 4.16Å; F75-Y133 HydrophobicContact CE1-CE2 4.41Å; F75-Y133 HydrophobicContact CZ-CD1 4.41Å; F75-Y133 AromaticContact CZ-CD2 3.66Å; F75-Y133 HydrophobicContact CZ-CD2 3.66Å; F75-Y133 HydrophobicContact CZ-CE2 4.07Å; F75-Y133 AromaticContact CZ-CG 3.87Å; F75-Y133 HydrophobicContact CZ-CG 3.87Å; K85-Y133 HydrophobicContact CD-CE2 4.35Å; D90-Y133 PolarHBondContact OD1-OH 3.34Å; D90-Y133 VanDerWaalsContact OD2-CE2 3.28Å; D90-Y133 WeakPolarHBondContact OD2-CE2 3.37Å; D90-Y133 PolarHBondContact OD2-OH 3.05Å; D90-Y133 VanDerWaalsContact OD2-OH 3.07Å; L131-Y133 VanDerWaalsContact CD1-O 3.28Å; L131-Y133 WeakPolarHBondContact CD1-O 3.42Å; Y133-I144 HydrophobicContact CD2-CB 4Å; Y133-I144 HydrophobicContact CD2-CG1 4.37Å; Y133-I144 HydrophobicContact CD2-CG2 3.88Å; Y133-I144 HydrophobicContact CG-CB 4.39Å; Y133-I144 HydrophobicContact CG-CG1 4.45Å; Y133-I144 PolarHBondContact N-O 3.3Å; Y133-I144 PolarHBondContact O-N 3.4Å; Y133-F384 CarbonylContact C-O 3.56Å; Y133-F384 VanDerWaalsContact CA-O 3.28Å; Y133-F384 WeakPolarHBondContact CA-O 3.38Å; Y133-I385 HydrophobicContact CD1-CB 4.41Å; Y133-I385 HydrophobicContact CD1-CG1 3.96Å; Y133-I385 HydrophobicContact CD1-CG2 4.18Å; Y133-I385 HydrophobicContact CE1-CB 4.45Å; Y133-I385 HydrophobicContact CE1-CD1 4.48Å; Y133-I385 HydrophobicContact CE1-CG1 4.19Å; Y133-I385 HydrophobicContact CE1-CG2 3.75Å; Y133-L389 HydrophobicContact CD2-CD1 4.36Å; Y133-L389 HydrophobicContact CE1-CD1 4.42Å; Y133-L389 HydrophobicContact CE2-CD1 3.6Å
134	A	85.1	Confident	84.6	Confident	1 Å²	1	23.6 Å²	23.6	1%	0.008	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.6	160.1	0	0	0	0	0	108.4	R117 L131 Y142 L143 F382 S383 F384	R117-A134 HydrophobicContact CG-CB 3.96Å; L131-A134 HydrophobicContact CD2-CB 4.47Å; A134-Y142 VanDerWaalsContact CA-O 3.31Å; A134-Y142 WeakPolarHBondContact CA-O 3.36Å; A134-L143 HydrophobicContact CB-CD2 3.67Å; A134-F382 HydrophobicContact CB-CD1 4.14Å; A134-F382 HydrophobicContact CB-CE1 3.87Å; A134-F382 HydrophobicContact CB-CZ 4.44Å; A134-F382 VanDerWaalsContact CB-O 3.3Å; A134-F382 WeakPolarHBondContact CB-O 3.45Å; A134-S383 CarbonylContact O-C 3.48Å; A134-S383 WeakPolarHBondContact O-CA 3.38Å; A134-F384 HydrophobicContact CB-CB 3.95Å; A134-F384 PolarHBondContact N-O 2.85Å; A134-F384 PolarHBondContact O-N 2.89Å
135	F	85.6	Confident	85	Confident	3 Å²	3	18.9 Å²	18.9	1%	0.013	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	171.1	177	54.7	-91.5	0	0	0	110.6	G70 P72 F75 Y142 I144 F382	G70-F135 VanDerWaalsContact O-CB 3.29Å; G70-F135 WeakPolarHBondContact O-CB 3.31Å; P72-F135 HydrophobicContact CB-CE2 4.32Å; P72-F135 HydrophobicContact CG-CD2 4.25Å; P72-F135 HydrophobicContact CG-CE2 3.8Å; F75-F135 AromaticContact CD2-CE1 3.91Å; F75-F135 HydrophobicContact CD2-CE1 3.91Å; F75-F135 AromaticContact CD2-CZ 3.76Å; F75-F135 HydrophobicContact CD2-CZ 3.76Å; F75-F135 HydrophobicContact CE2-CD1 4.36Å; F75-F135 AromaticContact CE2-CE1 3.39Å; F75-F135 HydrophobicContact CE2-CE1 3.39Å; F75-F135 AromaticContact CE2-CZ 3.76Å; F75-F135 HydrophobicContact CE2-CZ 3.76Å; F75-F135 HydrophobicContact CZ-CE1 4.09Å; F135-Y142 AromaticContact CD2-CD2 3.67Å; F135-Y142 HydrophobicContact CD2-CD2 3.67Å; F135-Y142 AromaticContact CD2-CG 3.77Å; F135-Y142 HydrophobicContact CD2-CG 3.77Å; F135-Y142 AromaticContact CE2-CD1 3.8Å; F135-Y142 HydrophobicContact CE2-CD1 3.8Å; F135-Y142 AromaticContact CE2-CD2 3.56Å; F135-Y142 HydrophobicContact CE2-CD2 3.56Å; F135-Y142 HydrophobicContact CE2-CE1 4.47Å; F135-Y142 HydrophobicContact CE2-CE2 4.29Å; F135-Y142 AromaticContact CE2-CG 3.28Å; F135-Y142 HydrophobicContact CE2-CG 3.28Å; F135-Y142 HydrophobicContact CZ-CD1 4.2Å; F135-Y142 AromaticContact CZ-CG 3.89Å; F135-Y142 HydrophobicContact CZ-CG 3.89Å; F135-Y142 PolarHBondContact N-O 3.27Å; F135-Y142 PolarHBondContact O-N 3.04Å; F135-I144 HydrophobicContact CD1-CG1 4.49Å; F135-I144 HydrophobicContact CE1-CD1 3.94Å; F135-I144 HydrophobicContact CE1-CG1 3.6Å; F135-I144 HydrophobicContact CZ-CD1 4.11Å; F135-I144 HydrophobicContact CZ-CG1 4.28Å; F135-F382 WeakPolarHBondContact O-CD1 3.36Å; F135-F382 VanDerWaalsContact O-CE1 3.31Å; F135-F382 WeakPolarHBondContact O-CE1 3.38Å
136	Q	82.4	Confident	85	Confident	54 Å²	54	20.6 Å²	20.6	25%	0.252	10%	0.104	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	151	-174.8	63.2	180	-43.4	0	0	112.1	K140 L141 F379 F382	Q136-K140 WeakPolarHBondContact CA-O 3.48Å; Q136-L141 HydrophobicContact CB-CD2 3.7Å; Q136-F379 PolarHBondContact NE2-O 2.92Å; Q136-F382 HydrophobicContact CB-CD1 4.31Å
137	T	78.9	Confident	84.7	Confident	45 Å²	45	19.7 Å²	19.7	28%	0.276	10%	0.096	S	C	.	.			trans	-111.8	179	166	61.1	0	0	0	0	109.3	P72 K102 G139 K140 Y142	P72-T137 HydrophobicContact CG-CG2 3.71Å; K102-T137 WeakPolarHBondContact CE-O 3.45Å; K102-T137 PolarHBondContact NZ-O 2.68Å; T137-G139 PolarHBondContact O-N 3.18Å; T137-K140 PolarHBondContact N-O 2.73Å; T137-K140 PolarHBondContact OG1-N 3.32Å; T137-Y142 HydrophobicContact CG2-CE2 3.75Å
138	E	74.4	Confident	84.2	Confident	138 Å²	138	20.5 Å²	20.5	65%	0.645	10%	0.1	S	C	*	.	S	Bend	trans	-54.4	-37.4	176.3	-67.7	-172.2	166.4	0	0	112.5	K102 P370 P371	K102-E138 WeakPolarHBondContact CD-O 3.43Å; E138-P370 HydrophobicContact CB-CB 4.32Å; E138-P370 HydrophobicContact CB-CG 4.28Å; E138-P371 WeakPolarHBondContact O-CD 3.37Å
139	G	71.9	Confident	83.4	Confident	2 Å²	2	22.2 Å²	22.2	2%	0.021	11%	0.106	C	C	.	.	S	Bend	trans	-107.5	-9.6	-175.8	0	0	0	0	0	116.6	K102 T137	K102-G139 WeakPolarHBondContact CB-O 3.5Å; K102-G139 PolarHBondContact N-O 3.43Å; T137-G139 PolarHBondContact O-N 3.18Å
140	K	79.7	Confident	82.4	Confident	7 Å²	7	22.1 Å²	22.1	3%	0.03	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	158.9	-170.1	-60.5	-179.5	180	-171.1	0	114.3	V99 L100 K101 K102 Q136 T137 Y142 D365 S366	V99-K140 HydrophobicContact CG1-CB 4.4Å; V99-K140 HydrophobicContact CG1-CD 3.8Å; V99-K140 HydrophobicContact CG1-CG 4.47Å; L100-K140 CarbonylContact O-C 3.51Å; L100-K140 VanDerWaalsContact O-CA 3.23Å; L100-K140 WeakPolarHBondContact O-CA 3.4Å; K101-K140 HydrophobicContact CG-CG 4.48Å; K102-K140 WeakPolarHBondContact CE-O 3.41Å; Q136-K140 WeakPolarHBondContact CA-O 3.48Å; T137-K140 PolarHBondContact N-O 2.73Å; T137-K140 PolarHBondContact OG1-N 3.32Å; K140-Y142 HydrophobicContact CB-CD2 4.38Å; K140-Y142 HydrophobicContact CB-CE2 3.58Å; K140-Y142 WeakPolarHBondContact CD-OH 3.24Å; K140-D365 IonicContact NZ-OD1 3.94Å; K140-D365 PolarHBondContact NZ-OD1 3.12Å; K140-S366 WeakPolarHBondContact CE-O 3.49Å; K140-S366 PolarHBondContact NZ-O 3.47Å
141	L	81.8	Confident	81.7	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	143.7	170	-57.4	171.5	0	0	0	109.2	V99 L100 K102 L105 T113 Q136 F379 F382	V99-L141 WeakPolarHBondContact CA-O 3.13Å; L100-L141 HydrophobicContact CB-CB 4.35Å; L100-L141 HydrophobicContact CD1-CB 4.44Å; L100-L141 PolarHBondContact N-O 3.32Å; L100-L141 PolarHBondContact O-N 3Å; K102-L141 VanDerWaalsContact CE-CD2 3.46Å; K102-L141 HydrophobicContact CG-CG 4.19Å; L105-L141 HydrophobicContact CD1-CD1 4.26Å; T113-L141 HydrophobicContact CG2-CD1 3.75Å; Q136-L141 HydrophobicContact CB-CD2 3.7Å; L141-F379 HydrophobicContact CD1-CD1 3.69Å; L141-F379 HydrophobicContact CD1-CE1 3.4Å; L141-F379 HydrophobicContact CD1-CG 4.37Å; L141-F379 HydrophobicContact CD1-CZ 3.83Å; L141-F379 HydrophobicContact CD2-CB 4.25Å; L141-F379 HydrophobicContact CD2-CD1 3.96Å; L141-F379 HydrophobicContact CD2-CD2 4.5Å; L141-F379 HydrophobicContact CD2-CE1 4.47Å; L141-F379 HydrophobicContact CD2-CG 3.98Å; L141-F379 HydrophobicContact CG-CD1 4.43Å; L141-F379 HydrophobicContact CG-CE1 4.46Å; L141-F382 HydrophobicContact CB-CE1 3.97Å; L141-F382 HydrophobicContact CB-CE2 4.45Å; L141-F382 HydrophobicContact CB-CZ 3.81Å; L141-F382 HydrophobicContact CD1-CE2 4.15Å; L141-F382 HydrophobicContact CD1-CZ 4.33Å; L141-F382 HydrophobicContact CD2-CD1 4.01Å; L141-F382 HydrophobicContact CD2-CD2 4.15Å; L141-F382 HydrophobicContact CD2-CE1 4.06Å; L141-F382 HydrophobicContact CD2-CE2 4.22Å; L141-F382 HydrophobicContact CD2-CG 4.05Å; L141-F382 HydrophobicContact CD2-CZ 4.17Å; L141-F382 HydrophobicContact CG-CZ 4.32Å
142	Y	83.9	Confident	81	Confident	6 Å²	6	20.5 Å²	20.5	2%	0.024	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.9	-176.6	-60.7	-99.3	0	0	0	109.8	P72 M97 K98 V99 A134 F135 T137 K140 D365 F382	P72-Y142 HydrophobicContact CG-CE2 4.31Å; M97-Y142 HydrophobicContact CG-CD1 4.18Å; M97-Y142 HydrophobicContact SD-CD1 3.63Å; M97-Y142 HydrophobicContact SD-CE1 4.09Å; K98-Y142 WeakPolarHBondContact O-CA 3.3Å; V99-Y142 HydrophobicContact CG1-CD1 4.29Å; V99-Y142 HydrophobicContact CG1-CE1 3.95Å; V99-Y142 HydrophobicContact CG2-CD1 3.86Å; V99-Y142 HydrophobicContact CG2-CE1 3.93Å; A134-Y142 VanDerWaalsContact CA-O 3.31Å; A134-Y142 WeakPolarHBondContact CA-O 3.36Å; F135-Y142 AromaticContact CD2-CD2 3.67Å; F135-Y142 HydrophobicContact CD2-CD2 3.67Å; F135-Y142 AromaticContact CD2-CG 3.77Å; F135-Y142 HydrophobicContact CD2-CG 3.77Å; F135-Y142 AromaticContact CE2-CD1 3.8Å; F135-Y142 HydrophobicContact CE2-CD1 3.8Å; F135-Y142 AromaticContact CE2-CD2 3.56Å; F135-Y142 HydrophobicContact CE2-CD2 3.56Å; F135-Y142 HydrophobicContact CE2-CE1 4.47Å; F135-Y142 HydrophobicContact CE2-CE2 4.29Å; F135-Y142 AromaticContact CE2-CG 3.28Å; F135-Y142 HydrophobicContact CE2-CG 3.28Å; F135-Y142 HydrophobicContact CZ-CD1 4.2Å; F135-Y142 AromaticContact CZ-CG 3.89Å; F135-Y142 HydrophobicContact CZ-CG 3.89Å; F135-Y142 PolarHBondContact N-O 3.27Å; F135-Y142 PolarHBondContact O-N 3.04Å; T137-Y142 HydrophobicContact CG2-CE2 3.75Å; K140-Y142 HydrophobicContact CB-CD2 4.38Å; K140-Y142 HydrophobicContact CB-CE2 3.58Å; K140-Y142 WeakPolarHBondContact CD-OH 3.24Å; Y142-D365 PolarHBondContact OH-OD2 2.96Å; Y142-F382 WeakPolarHBondContact O-CE1 3.4Å
143	L	86	Confident	80.3	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.7	169.1	-58.5	174.5	0	0	0	108.4	M97 K98 E116 R117 L131 A134 F382	M97-L143 CarbonylContact C-O 3.48Å; M97-L143 WeakPolarHBondContact CA-O 3.43Å; K98-L143 HydrophobicContact CB-CB 4.21Å; K98-L143 HydrophobicContact CD-CD1 4.38Å; K98-L143 PolarHBondContact N-O 2.94Å; K98-L143 PolarHBondContact O-N 2.99Å; E116-L143 HydrophobicContact CG-CD1 4.45Å; R117-L143 HydrophobicContact CB-CD2 4.07Å; R117-L143 HydrophobicContact CG-CD2 3.88Å; L131-L143 HydrophobicContact CD1-CB 4.01Å; L131-L143 HydrophobicContact CD1-CD2 3.93Å; A134-L143 HydrophobicContact CB-CD2 3.67Å; L143-F382 HydrophobicContact CD2-CE1 4.05Å; L143-F382 HydrophobicContact CD2-CE2 4.4Å; L143-F382 HydrophobicContact CD2-CZ 3.55Å; L143-F382 HydrophobicContact CG-CZ 4.19Å
144	I	87.6	Confident	79.3	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	112.3	179.1	-53.7	-57.4	0	0	0	107.9	F75 V83 Y95 M97 H132 Y133 F135	F75-I144 HydrophobicContact CD1-CD1 4.31Å; F75-I144 HydrophobicContact CE1-CD1 4.17Å; F75-I144 HydrophobicContact CE1-CG1 3.97Å; F75-I144 HydrophobicContact CE1-CG2 3.82Å; F75-I144 HydrophobicContact CE2-CG1 4.25Å; F75-I144 HydrophobicContact CZ-CD1 4.27Å; F75-I144 HydrophobicContact CZ-CG1 3.77Å; F75-I144 HydrophobicContact CZ-CG2 4.27Å; V83-I144 HydrophobicContact CG2-CD1 4.25Å; Y95-I144 HydrophobicContact CD1-CG2 3.85Å; Y95-I144 HydrophobicContact CD2-CG2 3.95Å; Y95-I144 HydrophobicContact CG-CG2 3.41Å; Y95-I144 VanDerWaalsContact CG-CG2 3.41Å; M97-I144 HydrophobicContact CB-CD1 3.78Å; M97-I144 HydrophobicContact CG-CD1 3.65Å; M97-I144 HydrophobicContact SD-CD1 4.22Å; H132-I144 HydrophobicContact CB-CG2 4.38Å; H132-I144 PolarHBondContact N-O 3.29Å; Y133-I144 HydrophobicContact CD2-CB 4Å; Y133-I144 HydrophobicContact CD2-CG1 4.37Å; Y133-I144 HydrophobicContact CD2-CG2 3.88Å; Y133-I144 HydrophobicContact CG-CB 4.39Å; Y133-I144 HydrophobicContact CG-CG1 4.45Å; Y133-I144 PolarHBondContact N-O 3.3Å; Y133-I144 PolarHBondContact O-N 3.4Å; F135-I144 HydrophobicContact CD1-CG1 4.49Å; F135-I144 HydrophobicContact CE1-CD1 3.94Å; F135-I144 HydrophobicContact CE1-CG1 3.6Å; F135-I144 HydrophobicContact CZ-CD1 4.11Å; F135-I144 HydrophobicContact CZ-CG1 4.28Å
145	L	88.5	Confident	78.2	Confident	3 Å²	3	23 Å²	23	2%	0.016	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	165.3	-171	-55.6	171.8	0	0	0	111.1	M1 A96 L120 K130 L131 F147	M1-L145 HydrophobicContact CE-CD1 3.67Å; A96-L145 HydrophobicContact CB-CB 4.44Å; A96-L145 PolarHBondContact N-O 3.33Å; A96-L145 PolarHBondContact O-N 2.98Å; L120-L145 HydrophobicContact CD1-CD2 3.9Å; K130-L145 VanDerWaalsContact O-CA 3.29Å; K130-L145 WeakPolarHBondContact O-CA 3.49Å; L131-L145 HydrophobicContact CB-CD2 4.13Å; L131-L145 HydrophobicContact CD1-CD2 3.7Å; L145-F147 PolarHBondContact O-N 2.84Å
146	D	86.6	Confident	76.9	Confident	43 Å²	43	23.9 Å²	23.9	23%	0.23	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.4	131.2	167.5	-74.9	-30.3	0	0	0	111.4	V129 K130 H132 L148	V129-D146 HydrophobicContact CB-CB 4.45Å; K130-D146 VanDerWaalsContact CB-OD2 3.31Å; K130-D146 WeakPolarHBondContact CB-OD2 3.17Å; K130-D146 WeakPolarHBondContact CG-OD2 3.18Å; K130-D146 PolarHBondContact N-OD2 2.99Å; K130-D146 PolarHBondContact O-N 3.47Å; K130-D146 VanDerWaalsContact O-N 3.09Å; H132-D146 IonicContact CD2-OD1 3.67Å; H132-D146 IonicContact CE1-OD1 2.68Å; H132-D146 IonicContact NE2-OD1 2.86Å; H132-D146 PolarHBondContact NE2-OD1 3.35Å; D146-L148 HydrophobicContact CB-CD2 4.36Å; D146-L148 HydrophobicContact CB-CG 4.38Å; D146-L148 PolarHBondContact O-N 3.42Å
147	F	85	Confident	75.6	Confident	20 Å²	20	21.5 Å²	21.5	9%	0.088	11%	0.108	C	C	.	.			trans	-90.9	94.1	171.2	178.3	-110.9	0	0	0	109.9	L82 L94 A96 L145 R149 D350 A351 F354	L82-F147 HydrophobicContact CD1-CD1 4.03Å; L82-F147 HydrophobicContact CD1-CD2 3.53Å; L82-F147 HydrophobicContact CD1-CE1 4.11Å; L82-F147 HydrophobicContact CD1-CE2 3.6Å; L82-F147 HydrophobicContact CD1-CG 3.75Å; L82-F147 HydrophobicContact CD1-CZ 3.9Å; L82-F147 HydrophobicContact CD2-CZ 4.39Å; L94-F147 HydrophobicContact CB-CB 4.29Å; L94-F147 HydrophobicContact CB-CD1 3.91Å; L94-F147 HydrophobicContact CB-CG 4.28Å; L94-F147 HydrophobicContact CD1-CD1 3.78Å; L94-F147 HydrophobicContact CD1-CE1 3.76Å; A96-F147 HydrophobicContact CB-CD2 4.45Å; L145-F147 PolarHBondContact O-N 2.84Å; F147-R149 HydrophobicContact CD1-CG 3.81Å; F147-R149 HydrophobicContact CE1-CG 3.64Å; F147-R149 PolarHBondContact O-N 2.85Å; F147-D350 WeakPolarHBondContact CE1-O 3.48Å; F147-D350 WeakPolarHBondContact CZ-O 3.2Å; F147-A351 HydrophobicContact CE2-CB 3.95Å; F147-A351 HydrophobicContact CZ-CB 3.74Å; F147-F354 HydrophobicContact CD2-CE2 4.12Å; F147-F354 HydrophobicContact CD2-CZ 4.02Å; F147-F354 AromaticContact CE2-CD2 3.99Å; F147-F354 HydrophobicContact CE2-CD2 3.99Å; F147-F354 AromaticContact CE2-CE2 3.19Å; F147-F354 HydrophobicContact CE2-CE2 3.19Å; F147-F354 AromaticContact CE2-CZ 3.51Å; F147-F354 HydrophobicContact CE2-CZ 3.51Å; F147-F354 HydrophobicContact CZ-CD2 4.34Å; F147-F354 AromaticContact CZ-CE2 3.7Å; F147-F354 HydrophobicContact CZ-CE2 3.7Å; F147-F354 HydrophobicContact CZ-CZ 4.42Å
148	L	83.5	Confident	74.3	Confident	16 Å²	16	22.6 Å²	22.6	8%	0.084	12%	0.118	C	C	.	.			trans	-79.8	115.1	-179.5	-64.4	177.1	0	0	0	111	V129 D146 L198 L199 D200 A206	V129-L148 HydrophobicContact CG1-CD1 3.47Å; V129-L148 VanDerWaalsContact CG1-CD1 3.47Å; V129-L148 HydrophobicContact CG1-CG 4.26Å; D146-L148 HydrophobicContact CB-CD2 4.36Å; D146-L148 HydrophobicContact CB-CG 4.38Å; D146-L148 PolarHBondContact O-N 3.42Å; L148-L198 HydrophobicContact CB-CB 3.83Å; L148-L198 HydrophobicContact CB-CD1 4.11Å; L148-L198 HydrophobicContact CD1-CB 3.52Å; L148-L198 HydrophobicContact CD1-CD1 4.1Å; L148-L198 HydrophobicContact CD1-CG 4.34Å; L148-L198 HydrophobicContact CG-CB 4.34Å; L148-L199 CarbonylContact C-O 3.59Å; L148-L199 WeakPolarHBondContact CB-O 3.48Å; L148-D200 HydrophobicContact CD2-CB 3.96Å; L148-A206 HydrophobicContact CD1-CB 3.41Å; L148-A206 VanDerWaalsContact CD1-CB 3.41Å; L148-A206 HydrophobicContact CD2-CB 4.34Å
149	R	74.7	Confident	73.3	Confident	40 Å²	40	22 Å²	22	15%	0.151	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-21.3	-164.3	-74.7	156.2	151.8	-92.4	-50.9	114.1	F147 G151 L199 D201 V345 R347 A348 E349 Y353	F147-R149 HydrophobicContact CD1-CG 3.81Å; F147-R149 HydrophobicContact CE1-CG 3.64Å; F147-R149 PolarHBondContact O-N 2.85Å; R149-G151 VanDerWaalsContact C-N 3.27Å; R149-G151 PolarHBondContact O-N 3.21Å; R149-L199 PolarHBondContact N-O 3.28Å; R149-D201 HydrophobicContact CB-CB 4.29Å; R149-V345 HydrophobicContact CB-CG1 3.89Å; R149-V345 HydrophobicContact CB-CG2 4Å; R149-V345 HydrophobicContact CG-CG1 4.28Å; R149-V345 VanDerWaalsContact NH1-CG1 3.34Å; R149-R347 PolarHBondContact NH1-O 2.89Å; R149-R347 PolarHBondContact NH2-O 2.8Å; R149-A348 PolarHBondContact NH2-O 2.92Å; R149-E349 VanDerWaalsContact NH2-N 3.14Å; R149-Y353 WeakPolarHBondContact O-CD2 3.27Å; R149-Y353 WeakPolarHBondContact O-CE2 3.31Å
150	G	70.1	Confident	72.3	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-6.4	-178.8	0	0	0	0	0	114.5	L199	G150-L199 WeakPolarHBondContact CA-O 3Å; G150-L199 PolarHBondContact N-O 2.9Å
151	G	72.7	Confident	70.9	Confident	3 Å²	3	24.3 Å²	24.3	3%	0.031	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.5	-170.6	-176.6	0	0	0	0	0	112.9	R149 L198 L199	R149-G151 VanDerWaalsContact C-N 3.27Å; R149-G151 PolarHBondContact O-N 3.21Å; G151-L198 CarbonylContact O-C 3.6Å; G151-L198 WeakPolarHBondContact O-CA 3.39Å; G151-L199 PolarHBondContact O-N 3.24Å
152	D	73.5	Confident	69.5	Low	22 Å²	22	29 Å²	29	12%	0.118	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	142	171.6	62.5	92.5	0	0	0	111.9	F154 T155 I197 L198	D152-F154 VanDerWaalsContact C-N 3.26Å; D152-F154 PolarHBondContact O-N 2.89Å; D152-T155 VanDerWaalsContact CG-OG1 3.23Å; D152-T155 PolarHBondContact O-N 3.07Å; D152-T155 WeakPolarHBondContact OD1-CB 2.96Å; D152-T155 PolarHBondContact OD1-N 3.41Å; D152-T155 PolarHBondContact OD1-OG1 3.44Å; D152-T155 PolarHBondContact OD2-OG1 2.89Å; D152-T155 VanDerWaalsContact OD2-OG1 3.12Å; D152-I197 CarbonylContact C-O 3.52Å; D152-I197 WeakPolarHBondContact CA-O 3.37Å; D152-L198 HydrophobicContact CB-CD2 3.7Å
153	L	69	Low	68.7	Low	2 Å²	2	30 Å²	30	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-50.5	-47.1	-174.7	-178.9	72.5	0	0	0	110.9	R156 L157 Y171 I197 L199 I205 M258	L153-R156 PolarHBondContact O-N 3.02Å; L153-L157 HydrophobicContact CD1-CD1 3.11Å; L153-L157 HydrophobicContact CG-CD1 3.6Å; L153-L157 WeakPolarHBondContact O-CB 3.49Å; L153-L157 WeakPolarHBondContact O-CD1 3.23Å; L153-L157 WeakPolarHBondContact O-CG 3.44Å; L153-L157 PolarHBondContact O-N 2.96Å; L153-Y171 HydrophobicContact CD1-CD1 3.89Å; L153-Y171 HydrophobicContact CD1-CD2 4.22Å; L153-Y171 HydrophobicContact CD1-CE1 3.98Å; L153-Y171 HydrophobicContact CD1-CE2 4.32Å; L153-Y171 HydrophobicContact CD1-CG 3.99Å; L153-I197 HydrophobicContact CB-CB 4.13Å; L153-I197 HydrophobicContact CB-CG2 3.99Å; L153-I197 WeakPolarHBondContact CB-O 3.39Å; L153-I197 HydrophobicContact CD2-CB 4.33Å; L153-I197 HydrophobicContact CD2-CD1 4.35Å; L153-I197 HydrophobicContact CD2-CG2 3.86Å; L153-I197 HydrophobicContact CG-CG2 4.44Å; L153-I197 PolarHBondContact N-O 3.11Å; L153-L199 HydrophobicContact CD1-CD1 4.16Å; L153-L199 HydrophobicContact CD1-CD2 3.71Å; L153-L199 HydrophobicContact CD1-CG 4.04Å; L153-I205 HydrophobicContact CD1-CG2 3.87Å; L153-I205 HydrophobicContact CD2-CG2 4.41Å; L153-M258 HydrophobicContact CD2-CE 4.18Å
154	F	64.4	Low	68.5	Low	20 Å²	20	33.1 Å²	33.1	9%	0.088	17%	0.171	C	C	.	.	H	α-helix	trans	-74	-42.4	-175.1	-96.2	-110.7	0	0	0	113.7	D152 R156 L157 S158 P194 L254 E257 M258	D152-F154 VanDerWaalsContact C-N 3.26Å; D152-F154 PolarHBondContact O-N 2.89Å; F154-R156 PolarHBondContact O-N 2.7Å; F154-L157 PolarHBondContact O-N 2.85Å; F154-L157 VanDerWaalsContact O-N 3.15Å; F154-S158 WeakPolarHBondContact O-CA 3.46Å; F154-S158 WeakPolarHBondContact O-CB 3.08Å; F154-S158 PolarHBondContact O-N 2.82Å; F154-S158 PolarHBondContact O-OG 3.41Å; F154-P194 HydrophobicContact CB-CB 3.69Å; F154-P194 HydrophobicContact CD1-CB 4.01Å; F154-P194 HydrophobicContact CD1-CG 3.92Å; F154-P194 HydrophobicContact CD2-CB 3.34Å; F154-P194 HydrophobicContact CD2-CG 3.54Å; F154-P194 HydrophobicContact CE1-CB 4.47Å; F154-P194 HydrophobicContact CE1-CG 3.9Å; F154-P194 HydrophobicContact CE2-CB 3.89Å; F154-P194 HydrophobicContact CE2-CG 3.54Å; F154-P194 HydrophobicContact CG-CB 3.4Å; F154-P194 HydrophobicContact CG-CG 3.73Å; F154-P194 HydrophobicContact CZ-CB 4.41Å; F154-P194 HydrophobicContact CZ-CG 3.7Å; F154-L254 HydrophobicContact CD2-CD1 4.42Å; F154-L254 HydrophobicContact CE2-CD1 3.52Å; F154-L254 HydrophobicContact CE2-CG 4.38Å; F154-L254 HydrophobicContact CZ-CD1 4.04Å; F154-E257 HydrophobicContact CE1-CB 4.43Å; F154-E257 VanDerWaalsContact CE1-CD 3.41Å; F154-E257 HydrophobicContact CE1-CG 3.71Å; F154-E257 HydrophobicContact CZ-CB 4.19Å; F154-E257 HydrophobicContact CZ-CG 3.96Å; F154-M258 HydrophobicContact CE2-CG 3.59Å; F154-M258 HydrophobicContact CE2-SD 4.35Å; F154-M258 HydrophobicContact CZ-CG 3.52Å
155	T	62.9	Low	68.5	Low	58 Å²	58	35 Å²	35	36%	0.356	18%	0.18	S	C	.	.	H	α-helix	trans	-56.2	-27.5	178.4	-66.4	0	0	0	0	111.5	D152 K159	D152-T155 VanDerWaalsContact CG-OG1 3.23Å; D152-T155 PolarHBondContact O-N 3.07Å; D152-T155 WeakPolarHBondContact OD1-CB 2.96Å; D152-T155 PolarHBondContact OD1-N 3.41Å; D152-T155 PolarHBondContact OD1-OG1 3.44Å; D152-T155 PolarHBondContact OD2-OG1 2.89Å; D152-T155 VanDerWaalsContact OD2-OG1 3.12Å; T155-K159 HydrophobicContact CG2-CD 4.24Å; T155-K159 WeakPolarHBondContact O-CB 3.3Å; T155-K159 WeakPolarHBondContact O-CG 3.41Å
156	R	56.8	Low	68.5	Low	23 Å²	23	40 Å²	40	9%	0.087	20%	0.204	C	C	.	.	H	α-helix	trans	-89.8	-39.1	176.6	-146.2	64.9	178.8	-177.7	-20.5	114.7	L153 F154 D160 F341 Y353	L153-R156 PolarHBondContact O-N 3.02Å; F154-R156 PolarHBondContact O-N 2.7Å; R156-D160 PolarHBondContact O-N 2.73Å; R156-F341 HydrophobicContact CG-CE1 3.66Å; R156-F341 HydrophobicContact CG-CZ 3.72Å; R156-Y353 VanDerWaalsContact CZ-CE1 3.41Å; R156-Y353 VanDerWaalsContact NH2-CE1 3.34Å
157	L	55.7	Low	68.6	Low	4 Å²	4	39.6 Å²	39.6	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-86.6	-37	-175.2	-64.9	146.9	0	0	0	110.6	L153 F154 K159 I161 F163 Y171 L199 F341	L153-L157 HydrophobicContact CD1-CD1 3.11Å; L153-L157 HydrophobicContact CG-CD1 3.6Å; L153-L157 WeakPolarHBondContact O-CB 3.49Å; L153-L157 WeakPolarHBondContact O-CD1 3.23Å; L153-L157 WeakPolarHBondContact O-CG 3.44Å; L153-L157 PolarHBondContact O-N 2.96Å; F154-L157 PolarHBondContact O-N 2.85Å; F154-L157 VanDerWaalsContact O-N 3.15Å; L157-K159 PolarHBondContact O-N 3.06Å; L157-I161 HydrophobicContact CD2-CB 4.43Å; L157-I161 HydrophobicContact CD2-CD1 4.43Å; L157-I161 CarbonylContact O-C 3.54Å; L157-I161 PolarHBondContact O-N 3.3Å; L157-F163 HydrophobicContact CB-CD1 4.44Å; L157-F163 HydrophobicContact CB-CD2 4.11Å; L157-F163 HydrophobicContact CB-CE1 3.71Å; L157-F163 HydrophobicContact CB-CE2 3.28Å; L157-F163 HydrophobicContact CB-CZ 3.08Å; L157-F163 HydrophobicContact CD1-CE1 3.36Å; L157-F163 HydrophobicContact CD1-CE2 4.21Å; L157-F163 HydrophobicContact CD1-CZ 3.12Å; L157-F163 HydrophobicContact CD2-CD1 4.01Å; L157-F163 HydrophobicContact CD2-CE1 3.44Å; L157-F163 VanDerWaalsContact CD2-CE1 3.44Å; L157-F163 HydrophobicContact CD2-CZ 3.79Å; L157-F163 HydrophobicContact CG-CE1 3.61Å; L157-F163 HydrophobicContact CG-CE2 4.13Å; L157-F163 HydrophobicContact CG-CZ 3.39Å; L157-Y171 HydrophobicContact CD1-CD2 4.43Å; L157-Y171 HydrophobicContact CD1-CE2 3.92Å; L157-Y171 HydrophobicContact CD2-CE2 4.4Å; L157-L199 HydrophobicContact CD1-CD1 4.49Å; L157-F341 HydrophobicContact CD2-CB 4.5Å
158	S	52.4	Low	68.9	Low	68 Å²	68	38.6 Å²	38.6	48%	0.476	20%	0.197	S	C	.	.	H	α-helix	trans	-73.7	-18.5	176	87.6	0	0	0	0	115.1	F154	F154-S158 WeakPolarHBondContact O-CA 3.46Å; F154-S158 WeakPolarHBondContact O-CB 3.08Å; F154-S158 PolarHBondContact O-N 2.82Å; F154-S158 PolarHBondContact O-OG 3.41Å
159	K	52.7	Low	69.4	Low	124 Å²	124	38.6 Å²	38.6	54%	0.539	20%	0.196	S	C	.	.	H	α-helix	trans	-100.8	-27.3	178.5	-69.4	-175.3	179.2	170.4	0	114.6	T155 L157 L571	T155-K159 HydrophobicContact CG2-CD 4.24Å; T155-K159 WeakPolarHBondContact O-CB 3.3Å; T155-K159 WeakPolarHBondContact O-CG 3.41Å; L157-K159 PolarHBondContact O-N 3.06Å; K159-L571 VanDerWaalsContact O-CD2 3.3Å; K159-L571 WeakPolarHBondContact O-CD2 3.41Å
160	D	51	Low	70.3	Confident	22 Å²	22	37.2 Å²	37.2	12%	0.118	19%	0.192	C	C	.	.	H	α-helix	trans	-125.9	-10.1	-173.3	-68.7	-60.4	0	0	0	116.4	R156 R566 L571 L572	R156-D160 PolarHBondContact O-N 2.73Å; D160-R566 IonicContact OD1-NH1 2.72Å; D160-R566 PolarHBondContact OD1-NH1 2.75Å; D160-L571 VanDerWaalsContact C-CD2 3.49Å; D160-L571 VanDerWaalsContact N-CD2 3.28Å; D160-L572 VanDerWaalsContact O-CB 3.25Å; D160-L572 WeakPolarHBondContact O-CB 3.4Å; D160-L572 VanDerWaalsContact O-CG 3.29Å; D160-L572 WeakPolarHBondContact O-CG 3.31Å; D160-L572 PolarHBondContact O-N 3.31Å
161	I	50.7	Low	71.4	Confident	36 Å²	36	37.4 Å²	37.4	19%	0.185	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-150.3	121	-175.1	-54.1	177.7	0	0	0	112.8	L157 F163 F341 L572	L157-I161 HydrophobicContact CD2-CB 4.43Å; L157-I161 HydrophobicContact CD2-CD1 4.43Å; L157-I161 CarbonylContact O-C 3.54Å; L157-I161 PolarHBondContact O-N 3.3Å; I161-F163 PolarHBondContact O-N 2.57Å; I161-F341 HydrophobicContact CD1-CD2 3.53Å; I161-F341 HydrophobicContact CD1-CE2 4.02Å; I161-F341 HydrophobicContact CD1-CG 4.2Å; I161-L572 HydrophobicContact CG1-CD1 4.23Å
162	M	52.6	Low	72.5	Confident	99 Å²	99	37.2 Å²	37.2	49%	0.488	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-67.4	118.3	163.3	-69.2	-173.9	82.9	0	0	108.7	T164 L571 Y577	M162-T164 PolarHBondContact O-N 2.78Å; M162-L571 HydrophobicContact CG-CD1 4.36Å; M162-Y577 HydrophobicContact CE-CD1 4.35Å
163	F	67.5	Low	73.6	Confident	28 Å²	28	36.2 Å²	36.2	12%	0.123	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-60	129.5	175	-72	-77.6	0	0	0	110.7	L157 I161 D167 V168 Y171 M258	L157-F163 HydrophobicContact CB-CD1 4.44Å; L157-F163 HydrophobicContact CB-CD2 4.11Å; L157-F163 HydrophobicContact CB-CE1 3.71Å; L157-F163 HydrophobicContact CB-CE2 3.28Å; L157-F163 HydrophobicContact CB-CZ 3.08Å; L157-F163 HydrophobicContact CD1-CE1 3.36Å; L157-F163 HydrophobicContact CD1-CE2 4.21Å; L157-F163 HydrophobicContact CD1-CZ 3.12Å; L157-F163 HydrophobicContact CD2-CD1 4.01Å; L157-F163 HydrophobicContact CD2-CE1 3.44Å; L157-F163 VanDerWaalsContact CD2-CE1 3.44Å; L157-F163 HydrophobicContact CD2-CZ 3.79Å; L157-F163 HydrophobicContact CG-CE1 3.61Å; L157-F163 HydrophobicContact CG-CE2 4.13Å; L157-F163 HydrophobicContact CG-CZ 3.39Å; I161-F163 PolarHBondContact O-N 2.57Å; F163-D167 HydrophobicContact CB-CB 4.4Å; F163-D167 HydrophobicContact CD1-CB 3.72Å; F163-V168 HydrophobicContact CB-CG2 3.35Å; F163-V168 HydrophobicContact CD1-CG2 4.21Å; F163-V168 HydrophobicContact CD2-CG2 4.31Å; F163-V168 HydrophobicContact CG-CG2 3.78Å; F163-Y171 HydrophobicContact CD1-CD2 4.31Å; F163-Y171 HydrophobicContact CD1-CE2 4.37Å; F163-Y171 AromaticContact CE1-CD2 3.5Å; F163-Y171 HydrophobicContact CE1-CD2 3.5Å; F163-Y171 VanDerWaalsContact CE1-CD2 3.5Å; F163-Y171 AromaticContact CE1-CE2 3.59Å; F163-Y171 HydrophobicContact CE1-CE2 3.59Å; F163-Y171 HydrophobicContact CZ-CD2 4.29Å; F163-M258 HydrophobicContact CD1-CE 4.32Å; F163-M258 HydrophobicContact CD2-CB 4.13Å; F163-M258 HydrophobicContact CD2-CE 4.35Å; F163-M258 HydrophobicContact CE1-CE 3.67Å; F163-M258 HydrophobicContact CE2-CB 4.15Å; F163-M258 HydrophobicContact CE2-CE 3.74Å; F163-M258 HydrophobicContact CE2-CG 4.02Å; F163-M258 HydrophobicContact CZ-CE 3.31Å; F163-M258 HydrophobicContact CZ-CG 4.5Å
164	T	80.7	Confident	74.9	Confident	64 Å²	64	36.1 Å²	36.1	39%	0.393	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-70.7	159.1	158.4	69.8	0	0	0	0	109.2	M162 E166 D167 V168	M162-T164 PolarHBondContact O-N 2.78Å; T164-E166 PolarHBondContact O-N 3.37Å; T164-D167 WeakPolarHBondContact CB-OD2 3.45Å; T164-D167 WeakPolarHBondContact CG2-OD2 3.35Å; T164-D167 PolarHBondContact N-OD2 2.88Å; T164-D167 PolarHBondContact O-N 3.25Å; T164-D167 PolarHBondContact OG1-N 2.79Å; T164-D167 VanDerWaalsContact OG1-N 3.16Å; T164-D167 PolarHBondContact OG1-OD1 2.86Å; T164-D167 PolarHBondContact OG1-OD2 3.15Å; T164-V168 PolarHBondContact O-N 3.28Å
165	E	88.2	Confident	76.4	Confident	40 Å²	40	35.2 Å²	35.2	19%	0.187	18%	0.181	C	C	.	.	H	α-helix	trans	-59.2	-30.3	174.2	-61.7	-162.9	178.9	0	0	112.3	K169 L259 L288 S289	E165-K169 WeakPolarHBondContact O-CB 3.44Å; E165-K169 PolarHBondContact O-N 3.21Å; E165-L259 HydrophobicContact CB-CD2 4.39Å; E165-L259 HydrophobicContact CG-CD2 3.89Å; E165-L288 WeakPolarHBondContact OE1-CA 3.42Å; E165-S289 PolarHBondContact OE1-N 2.98Å; E165-S289 WeakPolarHBondContact OE2-CB 3.42Å; E165-S289 PolarHBondContact OE2-OG 2.95Å
166	E	88.7	Confident	78	Confident	108 Å²	108	32.5 Å²	32.5	51%	0.505	16%	0.164	S	C	.	.	H	α-helix	trans	-66.7	-40.4	173.6	-69.3	-60.4	148.5	0	0	112	T164 K169 F170	T164-E166 PolarHBondContact O-N 3.37Å; E166-K169 WeakPolarHBondContact O-CB 3.2Å; E166-K169 PolarHBondContact O-N 2.86Å; E166-K169 IonicContact OE1-NZ 3.41Å; E166-K169 PolarHBondContact OE1-NZ 2.93Å; E166-K169 WeakPolarHBondContact OE2-CE 3.31Å; E166-K169 IonicContact OE2-NZ 2.76Å; E166-K169 PolarHBondContact OE2-NZ 3.14Å; E166-F170 PolarHBondContact O-N 3.21Å
167	D	88.1	Confident	79.8	Confident	34 Å²	34	31.8 Å²	31.8	18%	0.182	16%	0.162	C	C	.	.	H	α-helix	trans	-66.1	-45.5	177	-52.5	-38.2	0	0	0	110.8	F163 T164 K169 F170 Y171 P340	F163-D167 HydrophobicContact CB-CB 4.4Å; F163-D167 HydrophobicContact CD1-CB 3.72Å; T164-D167 WeakPolarHBondContact CB-OD2 3.45Å; T164-D167 WeakPolarHBondContact CG2-OD2 3.35Å; T164-D167 PolarHBondContact N-OD2 2.88Å; T164-D167 PolarHBondContact O-N 3.25Å; T164-D167 PolarHBondContact OG1-N 2.79Å; T164-D167 VanDerWaalsContact OG1-N 3.16Å; T164-D167 PolarHBondContact OG1-OD1 2.86Å; T164-D167 PolarHBondContact OG1-OD2 3.15Å; D167-K169 VanDerWaalsContact C-N 3.3Å; D167-K169 PolarHBondContact O-N 3.41Å; D167-F170 PolarHBondContact O-N 3.15Å; D167-Y171 WeakPolarHBondContact O-CD2 3.07Å; D167-Y171 PolarHBondContact O-N 2.94Å; D167-P340 HydrophobicContact CB-CB 4.08Å; D167-P340 HydrophobicContact CB-CG 4.06Å; D167-P340 WeakPolarHBondContact OD1-CB 3.45Å
168	V	90.4	Very high	81.6	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.2	-45	174.9	178.6	0	0	0	0	110.3	F163 T164 F170 Y171 L172 M258 L259	F163-V168 HydrophobicContact CB-CG2 3.35Å; F163-V168 HydrophobicContact CD1-CG2 4.21Å; F163-V168 HydrophobicContact CD2-CG2 4.31Å; F163-V168 HydrophobicContact CG-CG2 3.78Å; T164-V168 PolarHBondContact O-N 3.28Å; V168-F170 VanDerWaalsContact C-N 3.32Å; V168-F170 PolarHBondContact O-N 3.04Å; V168-Y171 PolarHBondContact O-N 3.05Å; V168-L172 HydrophobicContact CG1-CD1 3.49Å; V168-L172 VanDerWaalsContact CG1-CD1 3.49Å; V168-L172 HydrophobicContact CG1-CG 3.86Å; V168-L172 VanDerWaalsContact O-CB 3.31Å; V168-L172 WeakPolarHBondContact O-CB 3.38Å; V168-L172 VanDerWaalsContact O-CG 3.27Å; V168-L172 WeakPolarHBondContact O-CG 3.44Å; V168-L172 PolarHBondContact O-N 2.63Å; V168-M258 HydrophobicContact CB-CE 4.4Å; V168-M258 HydrophobicContact CG1-CB 3.97Å; V168-M258 HydrophobicContact CG1-CE 4.13Å; V168-M258 HydrophobicContact CG1-SD 4.24Å; V168-M258 HydrophobicContact CG2-CB 3.84Å; V168-M258 HydrophobicContact CG2-CE 4.32Å; V168-L259 HydrophobicContact CB-CD2 3.96Å; V168-L259 HydrophobicContact CB-CG 4.48Å; V168-L259 HydrophobicContact CG1-CD2 4.09Å; V168-L259 HydrophobicContact CG1-CG 4.1Å; V168-L259 HydrophobicContact CG2-CD2 3.69Å; V168-L259 HydrophobicContact CG2-CG 4.2Å
169	K	94.5	Very high	83.6	Confident	15 Å²	15	28.3 Å²	28.3	7%	0.065	14%	0.138	C	C	.	.	H	α-helix	trans	-57.8	-43.8	179	-176	-165	-53.1	-179.9	0	112	E165 E166 D167 A173 F323 F324 S326 I327	E165-K169 WeakPolarHBondContact O-CB 3.44Å; E165-K169 PolarHBondContact O-N 3.21Å; E166-K169 WeakPolarHBondContact O-CB 3.2Å; E166-K169 PolarHBondContact O-N 2.86Å; E166-K169 IonicContact OE1-NZ 3.41Å; E166-K169 PolarHBondContact OE1-NZ 2.93Å; E166-K169 WeakPolarHBondContact OE2-CE 3.31Å; E166-K169 IonicContact OE2-NZ 2.76Å; E166-K169 PolarHBondContact OE2-NZ 3.14Å; D167-K169 VanDerWaalsContact C-N 3.3Å; D167-K169 PolarHBondContact O-N 3.41Å; K169-A173 VanDerWaalsContact O-CB 3.3Å; K169-A173 WeakPolarHBondContact O-CB 3.4Å; K169-A173 PolarHBondContact O-N 3.17Å; K169-F323 HydrophobicContact CB-CD1 4.5Å; K169-F323 HydrophobicContact CB-CE1 3.72Å; K169-F323 HydrophobicContact CB-CZ 3.84Å; K169-F323 WeakPolarHBondContact CD-O 3.5Å; K169-F323 WeakPolarHBondContact CE-O 3.12Å; K169-F323 HydrophobicContact CG-CD1 4.18Å; K169-F323 HydrophobicContact CG-CE1 3.88Å; K169-F323 HydrophobicContact CG-CZ 4.37Å; K169-F323 PolarHBondContact NZ-O 3.44Å; K169-F324 HydrophobicContact CG-CD1 3.67Å; K169-F324 HydrophobicContact CG-CE1 4.09Å; K169-S326 WeakPolarHBondContact CD-OG 3.27Å; K169-S326 PolarHBondContact NZ-OG 3.39Å; K169-I327 HydrophobicContact CD-CD1 4.07Å; K169-I327 HydrophobicContact CD-CG1 4.05Å; K169-I327 HydrophobicContact CG-CD1 4.08Å; K169-I327 HydrophobicContact CG-CG1 4.03Å
170	F	93.7	Very high	85.5	Confident	12 Å²	12	25.9 Å²	25.9	5%	0.053	13%	0.129	C	C	.	.	H	α-helix	trans	-56.7	-55.7	176.5	177.5	-86.5	0	0	0	111.4	E166 D167 V168 L172 A173 E174 H204 L332 V337 P339 P340	E166-F170 PolarHBondContact O-N 3.21Å; D167-F170 PolarHBondContact O-N 3.15Å; V168-F170 VanDerWaalsContact C-N 3.32Å; V168-F170 PolarHBondContact O-N 3.04Å; F170-L172 PolarHBondContact O-N 3.09Å; F170-A173 WeakPolarHBondContact O-CB 3.34Å; F170-A173 PolarHBondContact O-N 3.11Å; F170-A173 VanDerWaalsContact O-N 3.14Å; F170-E174 HydrophobicContact CE1-CG 4.12Å; F170-E174 VanDerWaalsContact CE1-OE1 3.29Å; F170-E174 WeakPolarHBondContact CE1-OE1 3.27Å; F170-E174 HydrophobicContact CZ-CG 4.35Å; F170-E174 WeakPolarHBondContact CZ-OE1 3.34Å; F170-E174 PolarHBondContact O-N 3.21Å; F170-E174 VanDerWaalsContact O-N 3.14Å; F170-H204 AromaticContact CZ-ND1 3.96Å; F170-L332 HydrophobicContact CD2-CD1 3.97Å; F170-L332 HydrophobicContact CE2-CD1 3.45Å; F170-L332 VanDerWaalsContact CE2-CD1 3.45Å; F170-L332 HydrophobicContact CZ-CD1 3.86Å; F170-V337 HydrophobicContact CD2-CG1 4.06Å; F170-V337 HydrophobicContact CE2-CB 4.06Å; F170-V337 HydrophobicContact CE2-CG1 3.72Å; F170-P339 HydrophobicContact CE1-CB 3.87Å; F170-P339 HydrophobicContact CE1-CG 4.19Å; F170-P339 VanDerWaalsContact CZ-CA 3.48Å; F170-P339 HydrophobicContact CZ-CB 3.91Å; F170-P339 HydrophobicContact CZ-CG 3.86Å; F170-P340 HydrophobicContact CB-CG 4.31Å; F170-P340 HydrophobicContact CD1-CG 4.07Å; F170-P340 HydrophobicContact CG-CG 4.27Å
171	Y	93.1	Very high	87.4	Confident	3 Å²	3	26.8 Å²	26.8	1%	0.012	13%	0.132	C	C	.	.	H	α-helix	trans	-67.5	-36.5	-176.4	-67.9	-56.8	0	0	0	113.3	L153 L157 F163 D167 V168 A173 E174 L175 L199 G203 I205 M258 P340	L153-Y171 HydrophobicContact CD1-CD1 3.89Å; L153-Y171 HydrophobicContact CD1-CD2 4.22Å; L153-Y171 HydrophobicContact CD1-CE1 3.98Å; L153-Y171 HydrophobicContact CD1-CE2 4.32Å; L153-Y171 HydrophobicContact CD1-CG 3.99Å; L157-Y171 HydrophobicContact CD1-CD2 4.43Å; L157-Y171 HydrophobicContact CD1-CE2 3.92Å; L157-Y171 HydrophobicContact CD2-CE2 4.4Å; F163-Y171 HydrophobicContact CD1-CD2 4.31Å; F163-Y171 HydrophobicContact CD1-CE2 4.37Å; F163-Y171 AromaticContact CE1-CD2 3.5Å; F163-Y171 HydrophobicContact CE1-CD2 3.5Å; F163-Y171 VanDerWaalsContact CE1-CD2 3.5Å; F163-Y171 AromaticContact CE1-CE2 3.59Å; F163-Y171 HydrophobicContact CE1-CE2 3.59Å; F163-Y171 HydrophobicContact CZ-CD2 4.29Å; D167-Y171 WeakPolarHBondContact O-CD2 3.07Å; D167-Y171 PolarHBondContact O-N 2.94Å; V168-Y171 PolarHBondContact O-N 3.05Å; Y171-A173 VanDerWaalsContact C-N 3.3Å; Y171-A173 PolarHBondContact O-N 2.74Å; Y171-E174 PolarHBondContact O-N 2.94Å; Y171-L175 VanDerWaalsContact O-CB 3.31Å; Y171-L175 WeakPolarHBondContact O-CB 3.31Å; Y171-L175 PolarHBondContact O-N 3.5Å; Y171-L199 HydrophobicContact CE1-CD2 3.89Å; Y171-G203 WeakPolarHBondContact CE1-O 3.4Å; Y171-I205 HydrophobicContact CD1-CG2 3.59Å; Y171-I205 HydrophobicContact CE1-CG2 4.16Å; Y171-I205 HydrophobicContact CG-CG2 4.45Å; Y171-M258 HydrophobicContact CD2-CE 4.23Å; Y171-P340 HydrophobicContact CD2-CG 4.31Å; Y171-P340 HydrophobicContact CE2-CG 3.5Å; Y171-P340 VanDerWaalsContact CE2-CG 3.5Å
172	L	95.6	Very high	89.2	Confident	0 Å²	0	25 Å²	25	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.7	-33.7	173.5	-73.4	-177.2	0	0	0	112.2	V168 F170 L175 A176 F251 L254 M255 M258 F323 F324	V168-L172 HydrophobicContact CG1-CD1 3.49Å; V168-L172 VanDerWaalsContact CG1-CD1 3.49Å; V168-L172 HydrophobicContact CG1-CG 3.86Å; V168-L172 VanDerWaalsContact O-CB 3.31Å; V168-L172 WeakPolarHBondContact O-CB 3.38Å; V168-L172 VanDerWaalsContact O-CG 3.27Å; V168-L172 WeakPolarHBondContact O-CG 3.44Å; V168-L172 PolarHBondContact O-N 2.63Å; F170-L172 PolarHBondContact O-N 3.09Å; L172-L175 HydrophobicContact CD2-CD2 4.36Å; L172-L175 PolarHBondContact O-N 3.16Å; L172-A176 WeakPolarHBondContact O-CB 3.45Å; L172-A176 PolarHBondContact O-N 2.9Å; L172-F251 HydrophobicContact CB-CE1 4.37Å; L172-F251 HydrophobicContact CB-CE2 4.25Å; L172-F251 HydrophobicContact CB-CZ 3.67Å; L172-F251 HydrophobicContact CD1-CE1 4.33Å; L172-F251 HydrophobicContact CD1-CZ 4.43Å; L172-F251 HydrophobicContact CD2-CD1 4.49Å; L172-F251 HydrophobicContact CD2-CD2 4.38Å; L172-F251 HydrophobicContact CD2-CE1 4.06Å; L172-F251 HydrophobicContact CD2-CE2 3.94Å; L172-F251 HydrophobicContact CD2-CZ 3.79Å; L172-F251 HydrophobicContact CG-CE1 4.49Å; L172-F251 HydrophobicContact CG-CZ 4.16Å; L172-F251 VanDerWaalsContact O-CE2 3.27Å; L172-F251 WeakPolarHBondContact O-CE2 3.35Å; L172-F251 WeakPolarHBondContact O-CZ 3.4Å; L172-L254 HydrophobicContact CD2-CD2 4.29Å; L172-M255 HydrophobicContact CD1-CB 3.57Å; L172-M255 HydrophobicContact CD1-CG 3.49Å; L172-M255 VanDerWaalsContact CD1-CG 3.49Å; L172-M255 HydrophobicContact CD1-SD 3.99Å; L172-M255 HydrophobicContact CD2-CB 4.23Å; L172-M258 HydrophobicContact CD2-SD 4.27Å; L172-F323 HydrophobicContact CD1-CE1 4.26Å; L172-F324 HydrophobicContact CB-CE1 3.94Å; L172-F324 HydrophobicContact CB-CZ 3.97Å
173	A	97	Very high	91	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.7	-42.4	176.2	0	0	0	0	0	111.9	K169 F170 Y171 L175 A176 L177 F324 I327 W329 L332	K169-A173 VanDerWaalsContact O-CB 3.3Å; K169-A173 WeakPolarHBondContact O-CB 3.4Å; K169-A173 PolarHBondContact O-N 3.17Å; F170-A173 WeakPolarHBondContact O-CB 3.34Å; F170-A173 PolarHBondContact O-N 3.11Å; F170-A173 VanDerWaalsContact O-N 3.14Å; Y171-A173 VanDerWaalsContact C-N 3.3Å; Y171-A173 PolarHBondContact O-N 2.74Å; A173-L175 VanDerWaalsContact C-N 3.29Å; A173-L175 PolarHBondContact O-N 2.8Å; A173-A176 PolarHBondContact O-N 2.81Å; A173-L177 PolarHBondContact O-N 3.47Å; A173-L177 VanDerWaalsContact O-N 3.16Å; A173-F324 HydrophobicContact CB-CD1 4.08Å; A173-F324 HydrophobicContact CB-CE1 4.08Å; A173-I327 HydrophobicContact CB-CD1 4.29Å; A173-I327 HydrophobicContact CB-CG1 4.09Å; A173-I327 HydrophobicContact CB-CG2 4Å; A173-W329 HydrophobicContact CB-CE3 4.47Å; A173-W329 HydrophobicContact CB-CH2 3.79Å; A173-W329 HydrophobicContact CB-CZ3 3.71Å; A173-W329 WeakPolarHBondContact O-CZ3 3.4Å; A173-L332 HydrophobicContact CB-CD2 3.37Å
174	E	96.2	Very high	91.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.6	-40.8	173.3	-64.3	-166.5	148.1	0	0	111.8	F127 F170 Y171 L177 A178 H204 I205 L332	F127-E174 HydrophobicContact CD1-CB 4.29Å; F127-E174 HydrophobicContact CD1-CG 4.45Å; F127-E174 HydrophobicContact CD2-CB 3.9Å; F127-E174 HydrophobicContact CD2-CG 4.37Å; F127-E174 WeakPolarHBondContact CD2-O 3.37Å; F127-E174 HydrophobicContact CE1-CB 4.31Å; F127-E174 HydrophobicContact CE1-CG 4Å; F127-E174 VanDerWaalsContact CE1-OE1 3.31Å; F127-E174 WeakPolarHBondContact CE1-OE1 3.34Å; F127-E174 HydrophobicContact CE2-CB 3.94Å; F127-E174 HydrophobicContact CE2-CG 3.92Å; F127-E174 HydrophobicContact CG-CB 4.09Å; F127-E174 HydrophobicContact CZ-CB 4.13Å; F127-E174 HydrophobicContact CZ-CG 3.71Å; F127-E174 WeakPolarHBondContact CZ-OE1 3.39Å; F170-E174 HydrophobicContact CE1-CG 4.12Å; F170-E174 VanDerWaalsContact CE1-OE1 3.29Å; F170-E174 WeakPolarHBondContact CE1-OE1 3.27Å; F170-E174 HydrophobicContact CZ-CG 4.35Å; F170-E174 WeakPolarHBondContact CZ-OE1 3.34Å; F170-E174 PolarHBondContact O-N 3.21Å; F170-E174 VanDerWaalsContact O-N 3.14Å; Y171-E174 PolarHBondContact O-N 2.94Å; E174-L177 PolarHBondContact O-N 3.34Å; E174-A178 PolarHBondContact O-N 2.74Å; E174-H204 IonicContact OE1-CE1 3.75Å; E174-H204 IonicContact OE1-CG 3.24Å; E174-H204 IonicContact OE1-ND1 2.73Å; E174-H204 PolarHBondContact OE1-ND1 3.45Å; E174-I205 HydrophobicContact CB-CD1 3.87Å; E174-I205 HydrophobicContact CB-CG1 3.56Å; E174-I205 WeakPolarHBondContact OE2-CG1 3.47Å; E174-I205 PolarHBondContact OE2-N 2.98Å; E174-L332 HydrophobicContact CG-CD1 3.78Å; E174-L332 HydrophobicContact CG-CD2 3.96Å; E174-L332 HydrophobicContact CG-CG 3.93Å
175	L	95.6	Very high	92	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-66.5	-38.8	178.7	-179.1	61.2	0	0	0	112	Y171 L172 A173 L177 A178 L179 L192 I197 I205 L207 F251 L254	Y171-L175 VanDerWaalsContact O-CB 3.31Å; Y171-L175 WeakPolarHBondContact O-CB 3.31Å; Y171-L175 PolarHBondContact O-N 3.5Å; L172-L175 HydrophobicContact CD2-CD2 4.36Å; L172-L175 PolarHBondContact O-N 3.16Å; A173-L175 VanDerWaalsContact C-N 3.29Å; A173-L175 PolarHBondContact O-N 2.8Å; L175-L177 VanDerWaalsContact C-N 3.35Å; L175-A178 PolarHBondContact O-N 3.03Å; L175-L179 WeakPolarHBondContact O-CG 3.3Å; L175-L179 PolarHBondContact O-N 2.69Å; L175-L192 HydrophobicContact CD1-CD1 3.74Å; L175-L192 HydrophobicContact CD2-CD1 4Å; L175-L192 HydrophobicContact CD2-CD2 4.13Å; L175-L192 HydrophobicContact CG-CD1 4.39Å; L175-I197 HydrophobicContact CD1-CD1 4.41Å; L175-I197 HydrophobicContact CD2-CD1 4.09Å; L175-I205 HydrophobicContact CB-CD1 3.68Å; L175-I205 HydrophobicContact CD1-CD1 4.17Å; L175-L207 HydrophobicContact CD1-CD1 3.82Å; L175-L207 HydrophobicContact CD1-CD2 3.64Å; L175-L207 HydrophobicContact CD1-CG 3.81Å; L175-F251 HydrophobicContact CB-CE2 4.13Å; L175-F251 HydrophobicContact CD2-CD2 3.7Å; L175-F251 HydrophobicContact CD2-CE2 3.94Å; L175-F251 HydrophobicContact CG-CD2 3.97Å; L175-F251 HydrophobicContact CG-CE2 4.01Å; L175-L254 HydrophobicContact CD2-CD2 3.33Å
176	A	96.3	Very high	91.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.5	-43.2	175.8	0	0	0	0	0	111.2	L172 A173 A178 L179 E180 W248 F251 I315 W329	L172-A176 WeakPolarHBondContact O-CB 3.45Å; L172-A176 PolarHBondContact O-N 2.9Å; A173-A176 PolarHBondContact O-N 2.81Å; A176-A178 VanDerWaalsContact C-N 3.35Å; A176-A178 PolarHBondContact O-N 3.4Å; A176-L179 PolarHBondContact O-N 3.42Å; A176-E180 PolarHBondContact O-N 3.44Å; A176-W248 HydrophobicContact CB-CH2 4.36Å; A176-W248 HydrophobicContact CB-CZ3 4.39Å; A176-F251 HydrophobicContact CB-CE2 4.11Å; A176-F251 HydrophobicContact CB-CZ 4.31Å; A176-I315 HydrophobicContact CB-CD1 4.2Å; A176-I315 WeakPolarHBondContact O-CD1 3.1Å; A176-W329 HydrophobicContact CB-CH2 4.4Å; A176-W329 HydrophobicContact CB-CZ3 4.2Å
177	L	95.2	Very high	91.7	Very high	8 Å²	8	19.7 Å²	19.7	4%	0.042	11%	0.112	C	C	.	.	H	α-helix	trans	-61.1	-41.3	174	-71.1	167.4	0	0	0	112.1	H125 F127 A173 E174 L175 E180 H181 M319 W329 L332	H125-L177 PolarHBondContact NE2-O 3Å; F127-L177 HydrophobicContact CD2-CB 4.15Å; F127-L177 HydrophobicContact CD2-CD1 4.36Å; F127-L177 HydrophobicContact CE2-CB 4.41Å; F127-L177 HydrophobicContact CE2-CD1 3.79Å; A173-L177 PolarHBondContact O-N 3.47Å; A173-L177 VanDerWaalsContact O-N 3.16Å; E174-L177 PolarHBondContact O-N 3.34Å; L175-L177 VanDerWaalsContact C-N 3.35Å; L177-E180 WeakPolarHBondContact O-CB 3.22Å; L177-E180 PolarHBondContact O-N 3.21Å; L177-H181 PolarHBondContact O-N 3.21Å; L177-M319 HydrophobicContact CD2-CE 3.53Å; L177-M319 HydrophobicContact CG-CE 4.37Å; L177-W329 HydrophobicContact CD1-CE3 4.27Å; L177-W329 HydrophobicContact CD2-CE3 4.12Å; L177-W329 HydrophobicContact CG-CE3 4Å; L177-W329 HydrophobicContact CG-CZ3 4.29Å; L177-L332 HydrophobicContact CD1-CB 4.35Å; L177-L332 HydrophobicContact CD1-CD2 4.02Å; L177-L332 HydrophobicContact CD1-CG 4.19Å
178	A	94.4	Very high	91.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.5	-44.8	176.5	0	0	0	0	0	112.2	F127 I128 E174 L175 A176 H181 L182 L207	F127-A178 HydrophobicContact CB-CB 4.04Å; I128-A178 HydrophobicContact CD1-CB 4.34Å; I128-A178 HydrophobicContact CG1-CB 3.93Å; E174-A178 PolarHBondContact O-N 2.74Å; L175-A178 PolarHBondContact O-N 3.03Å; A176-A178 VanDerWaalsContact C-N 3.35Å; A176-A178 PolarHBondContact O-N 3.4Å; A178-H181 PolarHBondContact O-N 3.02Å; A178-L182 WeakPolarHBondContact O-CG 3.28Å; A178-L182 PolarHBondContact O-N 3.21Å; A178-L207 HydrophobicContact CB-CD1 3.72Å; A178-L207 HydrophobicContact CB-CG 4.28Å
179	L	94	Very high	91.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.5	-39	176.6	-70.8	176.9	0	0	0	112.2	L175 A176 H181 L182 H183 L192 L207 D247 W248 F251	L175-L179 WeakPolarHBondContact O-CG 3.3Å; L175-L179 PolarHBondContact O-N 2.69Å; A176-L179 PolarHBondContact O-N 3.42Å; L179-H181 VanDerWaalsContact C-N 3.33Å; L179-H181 PolarHBondContact O-N 3.38Å; L179-L182 PolarHBondContact O-N 2.87Å; L179-H183 WeakPolarHBondContact O-CB 3.29Å; L179-H183 PolarHBondContact O-CD2 2.98Å; L179-H183 PolarHBondContact O-N 3.15Å; L179-L192 HydrophobicContact CD1-CD2 4.07Å; L179-L207 HydrophobicContact CD2-CD1 4.33Å; L179-D247 HydrophobicContact CD1-CB 4.43Å; L179-D247 HydrophobicContact CD2-CB 4.14Å; L179-W248 HydrophobicContact CB-CH2 4.16Å; L179-W248 HydrophobicContact CD1-CE3 4.16Å; L179-W248 HydrophobicContact CD1-CH2 4.25Å; L179-W248 HydrophobicContact CD1-CZ3 3.84Å; L179-F251 HydrophobicContact CD1-CD2 3.97Å
180	E	92.1	Very high	91.3	Very high	73 Å²	73	18.8 Å²	18.8	34%	0.341	11%	0.106	S	C	.	.	H	α-helix	trans	-52.6	-52.1	174	-170.6	-178.8	-167.2	0	0	111.7	A176 L177 L182 H183 S184 I315 M319	A176-E180 PolarHBondContact O-N 3.44Å; L177-E180 WeakPolarHBondContact O-CB 3.22Å; L177-E180 PolarHBondContact O-N 3.21Å; E180-L182 VanDerWaalsContact C-N 3.3Å; E180-L182 PolarHBondContact O-N 2.97Å; E180-H183 PolarHBondContact O-N 2.99Å; E180-S184 WeakPolarHBondContact O-CB 3.27Å; E180-S184 PolarHBondContact O-N 3.32Å; E180-I315 HydrophobicContact CB-CD1 3.47Å; E180-I315 VanDerWaalsContact CB-CD1 3.47Å; E180-I315 HydrophobicContact CG-CD1 3.93Å; E180-I315 HydrophobicContact CG-CG2 3.84Å; E180-M319 WeakPolarHBondContact OE2-CE 3.26Å
181	H	90	Very high	90.9	Very high	40 Å²	40	18.6 Å²	18.6	19%	0.185	11%	0.105	C	C	.	.	H	α-helix	trans	-59.7	-45.6	-177.1	-179.1	68.4	0	0	0	110.5	H125 L177 A178 L179 S184 L185	H125-H181 AromaticContact CD2-CG 3.72Å; L177-H181 PolarHBondContact O-N 3.21Å; A178-H181 PolarHBondContact O-N 3.02Å; L179-H181 VanDerWaalsContact C-N 3.33Å; L179-H181 PolarHBondContact O-N 3.38Å; H181-S184 PolarHBondContact O-N 3Å; H181-S184 PolarHBondContact O-OG 3.01Å; H181-L185 WeakPolarHBondContact O-CG 3.13Å; H181-L185 PolarHBondContact O-N 3.03Å
182	L	90	Very high	90.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.9	-47.9	176	-64.4	176	0	0	0	111.8	I123 I128 A178 L179 E180 S184 L185 G186 I187 Y189 L207 F210	I123-L182 HydrophobicContact CD1-CD2 3.46Å; I123-L182 VanDerWaalsContact CD1-CD2 3.46Å; I123-L182 HydrophobicContact CG1-CD2 4.09Å; I128-L182 HydrophobicContact CD1-CD1 4.36Å; I128-L182 HydrophobicContact CD1-CD2 3.87Å; I128-L182 HydrophobicContact CD1-CG 3.87Å; A178-L182 WeakPolarHBondContact O-CG 3.28Å; A178-L182 PolarHBondContact O-N 3.21Å; L179-L182 PolarHBondContact O-N 2.87Å; E180-L182 VanDerWaalsContact C-N 3.3Å; E180-L182 PolarHBondContact O-N 2.97Å; L182-S184 VanDerWaalsContact C-N 3.29Å; L182-S184 PolarHBondContact O-N 2.73Å; L182-L185 CarbonylContact O-C 3.51Å; L182-L185 PolarHBondContact O-N 2.8Å; L182-L185 VanDerWaalsContact O-N 3.1Å; L182-G186 PolarHBondContact O-N 2.82Å; L182-I187 CarbonylContact C-O 3.51Å; L182-I187 HydrophobicContact CB-CB 4.24Å; L182-I187 HydrophobicContact CD2-CB 4.49Å; L182-I187 HydrophobicContact CD2-CD1 4.39Å; L182-I187 HydrophobicContact CD2-CG2 4.33Å; L182-I187 WeakPolarHBondContact O-CA 3.39Å; L182-I187 WeakPolarHBondContact O-CB 3.45Å; L182-I187 PolarHBondContact O-N 2.8Å; L182-Y189 HydrophobicContact CD1-CD2 4.01Å; L182-Y189 HydrophobicContact CD1-CG 4.36Å; L182-L207 HydrophobicContact CD1-CD1 4.35Å; L182-F210 HydrophobicContact CD1-CE1 3.73Å; L182-F210 HydrophobicContact CD1-CZ 4.27Å; L182-F210 HydrophobicContact CD2-CE1 3.64Å; L182-F210 HydrophobicContact CD2-CZ 4.37Å; L182-F210 HydrophobicContact CG-CE1 4.33Å
183	H	90.1	Very high	90.4	Very high	35 Å²	35	20 Å²	20	16%	0.162	11%	0.111	C	C	.	.	H	α-helix	trans	-63.7	-35.8	-179.6	-67	-179.2	0	0	0	111.7	L179 E180 L185 G186 I187 T244 D247 W248	L179-H183 WeakPolarHBondContact O-CB 3.29Å; L179-H183 PolarHBondContact O-CD2 2.98Å; L179-H183 PolarHBondContact O-N 3.15Å; E180-H183 PolarHBondContact O-N 2.99Å; H183-L185 PolarHBondContact O-N 3.47Å; H183-G186 WeakPolarHBondContact O-CA 3.22Å; H183-G186 PolarHBondContact O-N 3.44Å; H183-I187 PolarHBondContact CD2-O 2.89Å; H183-T244 HydrophobicContact CB-CG2 3.98Å; H183-T244 VanDerWaalsContact CD2-CG2 3.47Å; H183-T244 WeakPolarHBondContact CD2-CG2 3.45Å; H183-D247 IonicContact CD2-OD2 3.56Å; H183-D247 IonicContact CE1-OD2 3.33Å; H183-D247 IonicContact NE2-OD2 3.61Å; H183-D247 PolarHBondContact NE2-OD2 3.36Å; H183-W248 AromaticContact CE1-NE1 3.87Å; H183-W248 AromaticContact ND1-NE1 3.92Å
184	S	85.6	Confident	89.7	Confident	90 Å²	90	20.2 Å²	20.2	63%	0.629	11%	0.112	S	C	*	.	H	α-helix	trans	-64.7	-27.2	175.7	79.9	0	0	0	0	113.2	E180 H181 L182 G186	E180-S184 WeakPolarHBondContact O-CB 3.27Å; E180-S184 PolarHBondContact O-N 3.32Å; H181-S184 PolarHBondContact O-N 3Å; H181-S184 PolarHBondContact O-OG 3.01Å; L182-S184 VanDerWaalsContact C-N 3.29Å; L182-S184 PolarHBondContact O-N 2.73Å; S184-G186 VanDerWaalsContact C-N 3.3Å
185	L	84	Confident	88.9	Confident	74 Å²	74	23.7 Å²	23.7	39%	0.387	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	4.9	173	-61.8	175.7	0	0	0	112.5	I123 H181 L182 H183 I187	I123-L185 HydrophobicContact CG1-CD1 4.24Å; H181-L185 WeakPolarHBondContact O-CG 3.13Å; H181-L185 PolarHBondContact O-N 3.03Å; L182-L185 CarbonylContact O-C 3.51Å; L182-L185 PolarHBondContact O-N 2.8Å; L182-L185 VanDerWaalsContact O-N 3.1Å; H183-L185 PolarHBondContact O-N 3.47Å; L185-I187 VanDerWaalsContact C-N 3.3Å; L185-I187 HydrophobicContact CB-CD1 3.8Å; L185-I187 HydrophobicContact CB-CG1 4.03Å; L185-I187 HydrophobicContact CD1-CD1 4.17Å; L185-I187 PolarHBondContact O-N 3.04Å
186	G	84	Confident	88.6	Confident	26 Å²	26	24 Å²	24	27%	0.268	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	20.2	-175.9	0	0	0	0	0	113.8	L182 H183 S184 A216	L182-G186 PolarHBondContact O-N 2.82Å; H183-G186 WeakPolarHBondContact O-CA 3.22Å; H183-G186 PolarHBondContact O-N 3.44Å; S184-G186 VanDerWaalsContact C-N 3.3Å; G186-A216 PolarHBondContact O-N 3.19Å
187	I	84.8	Confident	88.3	Confident	2 Å²	2	24 Å²	24	1%	0.01	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	124.5	-176.7	-57.6	168.7	0	0	0	109.5	I119 L182 H183 L185 E215	I119-I187 HydrophobicContact CB-CD1 4.47Å; I119-I187 HydrophobicContact CD1-CG2 4.18Å; I119-I187 HydrophobicContact CG1-CD1 4.17Å; I119-I187 HydrophobicContact CG2-CD1 3.9Å; I119-I187 HydrophobicContact CG2-CG2 4.37Å; L182-I187 CarbonylContact C-O 3.51Å; L182-I187 HydrophobicContact CB-CB 4.24Å; L182-I187 HydrophobicContact CD2-CB 4.49Å; L182-I187 HydrophobicContact CD2-CD1 4.39Å; L182-I187 HydrophobicContact CD2-CG2 4.33Å; L182-I187 WeakPolarHBondContact O-CA 3.39Å; L182-I187 WeakPolarHBondContact O-CB 3.45Å; L182-I187 PolarHBondContact O-N 2.8Å; H183-I187 PolarHBondContact CD2-O 2.89Å; L185-I187 VanDerWaalsContact C-N 3.3Å; L185-I187 HydrophobicContact CB-CD1 3.8Å; L185-I187 HydrophobicContact CB-CG1 4.03Å; L185-I187 HydrophobicContact CD1-CD1 4.17Å; L185-I187 PolarHBondContact O-N 3.04Å; I187-E215 HydrophobicContact CG1-CG 4.33Å
188	I	88.4	Confident	88	Confident	3 Å²	3	24.2 Å²	24.2	2%	0.015	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.2	170.7	-46.1	170.7	0	0	0	108	R190 S213 K214 A216 T244	I188-R190 HydrophobicContact CB-CG 3.99Å; I188-R190 HydrophobicContact CG2-CG 3.46Å; I188-R190 VanDerWaalsContact CG2-CG 3.46Å; I188-S213 VanDerWaalsContact O-CA 3.27Å; I188-S213 WeakPolarHBondContact O-CA 3.47Å; I188-K214 PolarHBondContact N-O 2.89Å; I188-K214 PolarHBondContact O-N 3.22Å; I188-A216 HydrophobicContact CD1-CB 4.14Å; I188-A216 HydrophobicContact CG1-CB 4.39Å; I188-T244 HydrophobicContact CG1-CG2 4.07Å
189	Y	89.5	Confident	87.6	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.132	C	C	.	.			trans	-77.2	-48.6	-173.1	-178.3	-107.7	0	0	0	113	L182 D191 L192 N196 L207 T208 F210 S213 D247	L182-Y189 HydrophobicContact CD1-CD2 4.01Å; L182-Y189 HydrophobicContact CD1-CG 4.36Å; Y189-D191 HydrophobicContact CE1-CB 4.37Å; Y189-D191 VanDerWaalsContact CE1-O 3.3Å; Y189-D191 WeakPolarHBondContact CE1-O 3.28Å; Y189-D191 PolarHBondContact O-N 2.89Å; Y189-D191 VanDerWaalsContact O-N 3.11Å; Y189-L192 HydrophobicContact CD1-CB 3.9Å; Y189-L192 HydrophobicContact CE1-CB 4.07Å; Y189-L192 HydrophobicContact CE1-CD1 4.32Å; Y189-N196 VanDerWaalsContact OH-CB 3.23Å; Y189-N196 WeakPolarHBondContact OH-CB 3.44Å; Y189-N196 PolarHBondContact OH-ND2 3.06Å; Y189-L207 HydrophobicContact CE1-CD2 4.29Å; Y189-T208 PolarHBondContact OH-O 3.22Å; Y189-F210 HydrophobicContact CD2-CD1 4.11Å; Y189-F210 AromaticContact CD2-CE1 3.81Å; Y189-F210 HydrophobicContact CD2-CE1 3.81Å; Y189-F210 HydrophobicContact CD2-CZ 4.28Å; Y189-F210 HydrophobicContact CE2-CD1 4.19Å; Y189-F210 AromaticContact CE2-CE1 3.96Å; Y189-F210 HydrophobicContact CE2-CE1 3.96Å; Y189-F210 HydrophobicContact CE2-CE2 4.38Å; Y189-F210 HydrophobicContact CE2-CG 4.45Å; Y189-F210 HydrophobicContact CE2-CZ 4.05Å; Y189-S213 PolarHBondContact O-OG 3.49Å; Y189-D247 PolarHBondContact N-OD2 3.44Å
190	R	87	Confident	87.2	Confident	27 Å²	27	24.9 Å²	24.9	10%	0.102	14%	0.135	C	C	.	.			trans	68	-5.5	169.8	-50.1	-167.7	-67.3	170.8	0.6	118.5	I188 L212 H242 D247	I188-R190 HydrophobicContact CB-CG 3.99Å; I188-R190 HydrophobicContact CG2-CG 3.46Å; I188-R190 VanDerWaalsContact CG2-CG 3.46Å; R190-L212 PolarHBondContact NE-O 2.84Å; R190-L212 PolarHBondContact NH2-O 2.88Å; R190-H242 WeakPolarHBondContact CD-NE2 3.04Å; R190-H242 PolarHBondContact NH1-NE2 3.12Å; R190-D247 PolarHBondContact N-OD1 3.27Å
191	D	86.1	Confident	86.6	Confident	8 Å²	8	24.9 Å²	24.9	4%	0.043	14%	0.137	C	C	.	.			trans	-128.5	38.8	177.7	-154.8	30.5	0	0	0	112.1	Y189 K193 N196 L212	Y189-D191 HydrophobicContact CE1-CB 4.37Å; Y189-D191 VanDerWaalsContact CE1-O 3.3Å; Y189-D191 WeakPolarHBondContact CE1-O 3.28Å; Y189-D191 PolarHBondContact O-N 2.89Å; Y189-D191 VanDerWaalsContact O-N 3.11Å; D191-K193 VanDerWaalsContact CG-NZ 3.31Å; D191-K193 PolarHBondContact O-N 2.88Å; D191-K193 VanDerWaalsContact O-N 3.14Å; D191-K193 IonicContact OD1-NZ 2.85Å; D191-K193 PolarHBondContact OD1-NZ 2.96Å; D191-K193 VanDerWaalsContact OD1-NZ 3.16Å; D191-K193 IonicContact OD2-NZ 3.19Å; D191-K193 PolarHBondContact OD2-NZ 2.96Å; D191-N196 VanDerWaalsContact CG-ND2 3.35Å; D191-N196 PolarHBondContact O-ND2 3.4Å; D191-N196 PolarHBondContact OD2-ND2 3.18Å; D191-L212 HydrophobicContact CB-CB 4.06Å; D191-L212 HydrophobicContact CB-CD1 3.55Å; D191-L212 HydrophobicContact CB-CG 3.75Å; D191-L212 WeakPolarHBondContact OD1-CD1 3.35Å
192	L	91.1	Very high	86.3	Confident	1 Å²	1	27 Å²	27	1%	0.005	15%	0.147	C	C	.	.			trans	-72.6	111.2	-179.8	-175.7	64.3	0	0	0	110.4	L175 L179 Y189 I197 L207 Y231 F251	L175-L192 HydrophobicContact CD1-CD1 3.74Å; L175-L192 HydrophobicContact CD2-CD1 4Å; L175-L192 HydrophobicContact CD2-CD2 4.13Å; L175-L192 HydrophobicContact CG-CD1 4.39Å; L179-L192 HydrophobicContact CD1-CD2 4.07Å; Y189-L192 HydrophobicContact CD1-CB 3.9Å; Y189-L192 HydrophobicContact CE1-CB 4.07Å; Y189-L192 HydrophobicContact CE1-CD1 4.32Å; L192-I197 HydrophobicContact CD1-CD1 4.08Å; L192-I197 HydrophobicContact CD1-CG1 4.33Å; L192-L207 HydrophobicContact CD1-CD2 3.84Å; L192-Y231 WeakPolarHBondContact O-CB 3.47Å; L192-Y231 WeakPolarHBondContact O-CD1 3.37Å; L192-F251 HydrophobicContact CD2-CB 3.93Å
193	K	86.3	Confident	86.1	Confident	31 Å²	31	27 Å²	27	14%	0.135	15%	0.147	C	C	.	.	S	Bend	trans	-156.8	157.6	-178.8	63.7	-173.9	-171.7	-141.6	0	109.9	D191 E195 N196 T228 Y231	D191-K193 VanDerWaalsContact CG-NZ 3.31Å; D191-K193 PolarHBondContact O-N 2.88Å; D191-K193 VanDerWaalsContact O-N 3.14Å; D191-K193 IonicContact OD1-NZ 2.85Å; D191-K193 PolarHBondContact OD1-NZ 2.96Å; D191-K193 VanDerWaalsContact OD1-NZ 3.16Å; D191-K193 IonicContact OD2-NZ 3.19Å; D191-K193 PolarHBondContact OD2-NZ 2.96Å; K193-E195 VanDerWaalsContact C-N 3.26Å; K193-E195 WeakPolarHBondContact CB-OE2 3.4Å; K193-E195 WeakPolarHBondContact CD-OE2 3.38Å; K193-E195 WeakPolarHBondContact CG-OE2 3.39Å; K193-E195 PolarHBondContact O-N 3.31Å; K193-E195 VanDerWaalsContact O-N 3.15Å; K193-N196 WeakPolarHBondContact CE-ND2 3.44Å; K193-N196 HydrophobicContact CG-CB 4.23Å; K193-N196 PolarHBondContact O-N 2.81Å; K193-N196 VanDerWaalsContact O-N 3.1Å; K193-T228 WeakPolarHBondContact CD-OG1 3.47Å; K193-Y231 HydrophobicContact CB-CD1 4.35Å; K193-Y231 HydrophobicContact CB-CD2 3.98Å; K193-Y231 HydrophobicContact CB-CE1 4.38Å; K193-Y231 HydrophobicContact CB-CE2 3.98Å; K193-Y231 HydrophobicContact CB-CG 4.19Å
194	P	83	Confident	86.2	Confident	4 Å²	4	25.5 Å²	25.5	3%	0.026	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-40.4	-47.1	176.9	-40.4	43.3	0	0	0	116.4	F154 N196 I197 Y231 L254 E257	F154-P194 HydrophobicContact CB-CB 3.69Å; F154-P194 HydrophobicContact CD1-CB 4.01Å; F154-P194 HydrophobicContact CD1-CG 3.92Å; F154-P194 HydrophobicContact CD2-CB 3.34Å; F154-P194 HydrophobicContact CD2-CG 3.54Å; F154-P194 HydrophobicContact CE1-CB 4.47Å; F154-P194 HydrophobicContact CE1-CG 3.9Å; F154-P194 HydrophobicContact CE2-CB 3.89Å; F154-P194 HydrophobicContact CE2-CG 3.54Å; F154-P194 HydrophobicContact CG-CB 3.4Å; F154-P194 HydrophobicContact CG-CG 3.73Å; F154-P194 HydrophobicContact CZ-CB 4.41Å; F154-P194 HydrophobicContact CZ-CG 3.7Å; P194-N196 PolarHBondContact O-N 2.78Å; P194-I197 PolarHBondContact O-N 2.93Å; P194-Y231 WeakPolarHBondContact CD-OH 3.49Å; P194-Y231 HydrophobicContact CG-CE1 4.36Å; P194-Y231 VanDerWaalsContact CG-OH 3.24Å; P194-Y231 WeakPolarHBondContact CG-OH 3.28Å; P194-L254 HydrophobicContact CG-CD1 3.8Å; P194-E257 WeakPolarHBondContact CG-OE2 3.24Å
195	E	80.1	Confident	86.5	Confident	74 Å²	74	21.3 Å²	21.3	35%	0.346	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-71	-16.8	-170.7	-53.1	85.5	172	0	0	112.9	P2 K193	P2-E195 HydrophobicContact CG-CB 4.32Å; K193-E195 VanDerWaalsContact C-N 3.26Å; K193-E195 WeakPolarHBondContact CB-OE2 3.4Å; K193-E195 WeakPolarHBondContact CD-OE2 3.38Å; K193-E195 WeakPolarHBondContact CG-OE2 3.39Å; K193-E195 PolarHBondContact O-N 3.31Å; K193-E195 VanDerWaalsContact O-N 3.15Å
196	N	88.9	Confident	86.9	Confident	9 Å²	9	18 Å²	18	5%	0.048	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-98.9	3.1	-179.8	-70.7	-7	0	0	0	113.2	Y189 D191 K193 P194 T208	Y189-N196 VanDerWaalsContact OH-CB 3.23Å; Y189-N196 WeakPolarHBondContact OH-CB 3.44Å; Y189-N196 PolarHBondContact OH-ND2 3.06Å; D191-N196 VanDerWaalsContact CG-ND2 3.35Å; D191-N196 PolarHBondContact O-ND2 3.4Å; D191-N196 PolarHBondContact OD2-ND2 3.18Å; K193-N196 WeakPolarHBondContact CE-ND2 3.44Å; K193-N196 HydrophobicContact CG-CB 4.23Å; K193-N196 PolarHBondContact O-N 2.81Å; K193-N196 VanDerWaalsContact O-N 3.1Å; P194-N196 PolarHBondContact O-N 2.78Å; N196-T208 WeakPolarHBondContact O-CG2 3.23Å; N196-T208 PolarHBondContact O-N 3.43Å
197	I	90.4	Very high	87.3	Confident	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	108.3	175.4	-54.6	166.3	0	0	0	107.2	D152 L153 L175 L192 P194 I205 L207 L254	D152-I197 CarbonylContact C-O 3.52Å; D152-I197 WeakPolarHBondContact CA-O 3.37Å; L153-I197 HydrophobicContact CB-CB 4.13Å; L153-I197 HydrophobicContact CB-CG2 3.99Å; L153-I197 WeakPolarHBondContact CB-O 3.39Å; L153-I197 HydrophobicContact CD2-CB 4.33Å; L153-I197 HydrophobicContact CD2-CD1 4.35Å; L153-I197 HydrophobicContact CD2-CG2 3.86Å; L153-I197 HydrophobicContact CG-CG2 4.44Å; L153-I197 PolarHBondContact N-O 3.11Å; L175-I197 HydrophobicContact CD1-CD1 4.41Å; L175-I197 HydrophobicContact CD2-CD1 4.09Å; L192-I197 HydrophobicContact CD1-CD1 4.08Å; L192-I197 HydrophobicContact CD1-CG1 4.33Å; P194-I197 PolarHBondContact O-N 2.93Å; I197-I205 HydrophobicContact CG2-CB 3.66Å; I197-I205 HydrophobicContact CG2-CD1 3.99Å; I197-I205 HydrophobicContact CG2-CG1 4.45Å; I197-I205 HydrophobicContact CG2-CG2 3.65Å; I197-L207 HydrophobicContact CG1-CD2 3.84Å; I197-L254 HydrophobicContact CD1-CD1 4.09Å; I197-L254 HydrophobicContact CD1-CD2 3.37Å; I197-L254 HydrophobicContact CD1-CG 4.37Å
198	L	88.9	Confident	87.5	Confident	12 Å²	12	17 Å²	17	6%	0.063	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	159.1	178.9	-57.1	-175.2	0	0	0	110.5	L148 G151 D152 I205 A206 T208	L148-L198 HydrophobicContact CB-CB 3.83Å; L148-L198 HydrophobicContact CB-CD1 4.11Å; L148-L198 HydrophobicContact CD1-CB 3.52Å; L148-L198 HydrophobicContact CD1-CD1 4.1Å; L148-L198 HydrophobicContact CD1-CG 4.34Å; L148-L198 HydrophobicContact CG-CB 4.34Å; G151-L198 CarbonylContact O-C 3.6Å; G151-L198 WeakPolarHBondContact O-CA 3.39Å; D152-L198 HydrophobicContact CB-CD2 3.7Å; L198-I205 CarbonylContact O-C 3.4Å; L198-I205 WeakPolarHBondContact O-CA 3.39Å; L198-A206 PolarHBondContact N-O 3.13Å; L198-A206 PolarHBondContact O-N 3.42Å; L198-T208 HydrophobicContact CD1-CG2 3.9Å; L198-T208 HydrophobicContact CG-CG2 3.86Å
199	L	86.5	Confident	87.1	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	143.1	173.8	-69.5	171.8	0	0	0	110.1	L148 R149 G150 G151 L153 L157 Y171 G203 H204 I205 F341 P343	L148-L199 CarbonylContact C-O 3.59Å; L148-L199 WeakPolarHBondContact CB-O 3.48Å; R149-L199 PolarHBondContact N-O 3.28Å; G150-L199 WeakPolarHBondContact CA-O 3Å; G150-L199 PolarHBondContact N-O 2.9Å; G151-L199 PolarHBondContact O-N 3.24Å; L153-L199 HydrophobicContact CD1-CD1 4.16Å; L153-L199 HydrophobicContact CD1-CD2 3.71Å; L153-L199 HydrophobicContact CD1-CG 4.04Å; L157-L199 HydrophobicContact CD1-CD1 4.49Å; Y171-L199 HydrophobicContact CE1-CD2 3.89Å; L199-G203 WeakPolarHBondContact CD2-O 3.46Å; L199-H204 CarbonylContact C-O 3.55Å; L199-H204 WeakPolarHBondContact CA-O 3.05Å; L199-I205 HydrophobicContact CD2-CG2 3.78Å; L199-F341 HydrophobicContact CD1-CD1 4.37Å; L199-P343 HydrophobicContact CB-CG 4.33Å; L199-P343 HydrophobicContact CD1-CG 4.41Å
200	D	84.9	Confident	86.6	Confident	13 Å²	13	17.9 Å²	17.9	7%	0.07	9%	0.088	C	C	.	.			trans	-82.8	-171	166.8	71	15	0	0	0	112.3	L148 E202 G203 H204 R335 P343	L148-D200 HydrophobicContact CD2-CB 3.96Å; D200-E202 VanDerWaalsContact C-N 3.31Å; D200-E202 WeakPolarHBondContact OD1-CA 3.24Å; D200-E202 PolarHBondContact OD1-N 3.26Å; D200-G203 PolarHBondContact OD1-N 3.47Å; D200-H204 PolarHBondContact N-O 3.32Å; D200-H204 PolarHBondContact OD1-N 3.41Å; D200-R335 IonicContact OD1-NH2 2.69Å; D200-R335 IonicContact OD2-CZ 2.85Å; D200-R335 IonicContact OD2-NH1 3.34Å; D200-R335 PolarHBondContact OD2-NH1 3.29Å; D200-R335 IonicContact OD2-NH2 3.08Å; D200-R335 PolarHBondContact OD2-NH2 2.69Å; D200-P343 WeakPolarHBondContact O-CG 3.43Å
201	D	80.2	Confident	85.4	Confident	73 Å²	73	16.9 Å²	16.9	39%	0.39	9%	0.086	S	C	.	.	S	Bend	trans	-77.4	-12.4	-179.8	58.3	-52.6	0	0	0	114.8	R149 V345	R149-D201 HydrophobicContact CB-CB 4.29Å; D201-V345 HydrophobicContact CB-CB 3.95Å; D201-V345 HydrophobicContact CB-CG1 4.23Å; D201-V345 HydrophobicContact CB-CG2 3.82Å
202	E	83.3	Confident	84.2	Confident	84 Å²	84	17.6 Å²	17.6	39%	0.393	9%	0.09	S	C	.	.	S	Bend	trans	-94.7	-19.4	173.5	-65.9	-172.7	156.7	0	0	112.1	D200 H204 R335 P339	D200-E202 VanDerWaalsContact C-N 3.31Å; D200-E202 WeakPolarHBondContact OD1-CA 3.24Å; D200-E202 PolarHBondContact OD1-N 3.26Å; E202-H204 IonicContact OE2-CD2 3.64Å; E202-R335 IonicContact OE2-CZ 2.83Å; E202-R335 IonicContact OE2-NE 3.08Å; E202-R335 IonicContact OE2-NH2 3.77Å; E202-R335 PolarHBondContact OE2-NH2 3.01Å; E202-P339 WeakPolarHBondContact O-CG 3.31Å
203	G	85.9	Confident	82.7	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	102.7	12.3	178.7	0	0	0	0	0	114.5	Y171 L199 D200 P339 F341	Y171-G203 WeakPolarHBondContact CE1-O 3.4Å; L199-G203 WeakPolarHBondContact CD2-O 3.46Å; D200-G203 PolarHBondContact OD1-N 3.47Å; G203-P339 WeakPolarHBondContact O-CB 3.41Å; G203-F341 WeakPolarHBondContact CA-O 3.37Å
204	H	91.2	Very high	81.8	Confident	4 Å²	4	20.4 Å²	20.4	2%	0.019	10%	0.103	C	C	.	.			trans	-80.5	148.6	171.2	-66.4	-79.5	0	0	0	110.1	F127 F170 E174 L199 D200 E202 R335 V337 P339	F127-H204 HydrophobicContact CD1-CB 4.39Å; F127-H204 HydrophobicContact CE1-CB 4.04Å; F127-H204 AromaticContact CE1-ND1 3.89Å; F170-H204 AromaticContact CZ-ND1 3.96Å; E174-H204 IonicContact OE1-CE1 3.75Å; E174-H204 IonicContact OE1-CG 3.24Å; E174-H204 IonicContact OE1-ND1 2.73Å; E174-H204 PolarHBondContact OE1-ND1 3.45Å; L199-H204 CarbonylContact C-O 3.55Å; L199-H204 WeakPolarHBondContact CA-O 3.05Å; D200-H204 PolarHBondContact N-O 3.32Å; D200-H204 PolarHBondContact OD1-N 3.41Å; E202-H204 IonicContact OE2-CD2 3.64Å; H204-R335 PolarHBondContact CD2-NE 3.04Å; H204-R335 PolarHBondContact CD2-NH2 3.24Å; H204-V337 PolarHBondContact CE1-O 3.08Å; H204-P339 VanDerWaalsContact CE1-CG 3.49Å; H204-P339 WeakPolarHBondContact CE1-CG 3.39Å; H204-P339 WeakPolarHBondContact NE2-CG 3.45Å
205	I	93	Very high	80.8	Confident	2 Å²	2	23.6 Å²	23.6	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	159.5	177.1	65.6	157.3	0	0	0	112.3	F127 L153 Y171 E174 L175 I197 L198 L199	F127-I205 WeakPolarHBondContact CA-O 3.39Å; F127-I205 HydrophobicContact CB-CG1 4.39Å; F127-I205 WeakPolarHBondContact CD1-O 3.36Å; L153-I205 HydrophobicContact CD1-CG2 3.87Å; L153-I205 HydrophobicContact CD2-CG2 4.41Å; Y171-I205 HydrophobicContact CD1-CG2 3.59Å; Y171-I205 HydrophobicContact CE1-CG2 4.16Å; Y171-I205 HydrophobicContact CG-CG2 4.45Å; E174-I205 HydrophobicContact CB-CD1 3.87Å; E174-I205 HydrophobicContact CB-CG1 3.56Å; E174-I205 WeakPolarHBondContact OE2-CG1 3.47Å; E174-I205 PolarHBondContact OE2-N 2.98Å; L175-I205 HydrophobicContact CB-CD1 3.68Å; L175-I205 HydrophobicContact CD1-CD1 4.17Å; I197-I205 HydrophobicContact CG2-CB 3.66Å; I197-I205 HydrophobicContact CG2-CD1 3.99Å; I197-I205 HydrophobicContact CG2-CG1 4.45Å; I197-I205 HydrophobicContact CG2-CG2 3.65Å; L198-I205 CarbonylContact O-C 3.4Å; L198-I205 WeakPolarHBondContact O-CA 3.39Å; L199-I205 HydrophobicContact CD2-CG2 3.78Å
206	A	91.4	Very high	79.6	Confident	5 Å²	5	21.5 Å²	21.5	4%	0.041	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	133.4	156.7	0	0	0	0	0	111.7	F127 V129 L148 L198	F127-A206 VanDerWaalsContact O-CA 3.28Å; F127-A206 WeakPolarHBondContact O-CA 3.49Å; V129-A206 HydrophobicContact CG1-CB 4.42Å; L148-A206 HydrophobicContact CD1-CB 3.41Å; L148-A206 VanDerWaalsContact CD1-CB 3.41Å; L148-A206 HydrophobicContact CD2-CB 4.34Å; L198-A206 PolarHBondContact N-O 3.13Å; L198-A206 PolarHBondContact O-N 3.42Å
207	L	92.8	Very high	77.7	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	135.8	173.7	-77.7	177	0	0	0	110.8	F127 I128 V129 L175 A178 L179 L182 Y189 L192 I197 F210	F127-L207 PolarHBondContact O-N 2.75Å; I128-L207 HydrophobicContact CG1-CB 4.48Å; V129-L207 WeakPolarHBondContact CG2-O 3.45Å; V129-L207 PolarHBondContact N-O 3.42Å; L175-L207 HydrophobicContact CD1-CD1 3.82Å; L175-L207 HydrophobicContact CD1-CD2 3.64Å; L175-L207 HydrophobicContact CD1-CG 3.81Å; A178-L207 HydrophobicContact CB-CD1 3.72Å; A178-L207 HydrophobicContact CB-CG 4.28Å; L179-L207 HydrophobicContact CD2-CD1 4.33Å; L182-L207 HydrophobicContact CD1-CD1 4.35Å; Y189-L207 HydrophobicContact CE1-CD2 4.29Å; L192-L207 HydrophobicContact CD1-CD2 3.84Å; I197-L207 HydrophobicContact CG1-CD2 3.84Å; L207-F210 HydrophobicContact CB-CZ 4.35Å
208	T	88.7	Confident	75.4	Confident	7 Å²	7	33.1 Å²	33.1	4%	0.043	18%	0.175	C	C	.	.			trans	-124.9	-175.5	176.2	-163	0	0	0	0	112	Y189 N196 L198	Y189-T208 PolarHBondContact OH-O 3.22Å; N196-T208 WeakPolarHBondContact O-CG2 3.23Å; N196-T208 PolarHBondContact O-N 3.43Å; L198-T208 HydrophobicContact CD1-CG2 3.9Å; L198-T208 HydrophobicContact CG-CG2 3.86Å
209	D	79.8	Confident	73.5	Confident	20 Å²	20	41 Å²	41	11%	0.107	22%	0.216	C	C	.	.			trans	48.6	75.9	176.7	-157.5	11.5	0	0	0	116	K98 G211	K98-D209 IonicContact NZ-OD1 3.79Å; K98-D209 PolarHBondContact NZ-OD1 2.68Å; D209-G211 PolarHBondContact O-N 2.76Å
210	F	79.1	Confident	71.9	Confident	1 Å²	1	49 Å²	49	0%	0.004	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-82.8	13.2	177.3	-71.5	-100.1	0	0	0	112.5	E116 I119 L120 I123 I128 V129 L182 Y189 L207 L212 S213	E116-F210 HydrophobicContact CG-CB 4.01Å; I119-F210 HydrophobicContact CG2-CB 4.46Å; I119-F210 HydrophobicContact CG2-CD1 3.77Å; I119-F210 HydrophobicContact CG2-CE1 4.49Å; I119-F210 HydrophobicContact CG2-CG 4.35Å; L120-F210 HydrophobicContact CD2-CD2 3.55Å; L120-F210 HydrophobicContact CD2-CE2 3.93Å; L120-F210 HydrophobicContact CD2-CG 4.1Å; L120-F210 HydrophobicContact CG-CB 4.37Å; L120-F210 HydrophobicContact CG-CD2 4.2Å; L120-F210 HydrophobicContact CG-CG 4.35Å; I123-F210 HydrophobicContact CD1-CD1 4.3Å; I123-F210 HydrophobicContact CD1-CE1 3.93Å; I123-F210 HydrophobicContact CD1-CZ 4.35Å; I128-F210 HydrophobicContact CG2-CE1 4.38Å; I128-F210 HydrophobicContact CG2-CE2 3.65Å; I128-F210 HydrophobicContact CG2-CZ 3.34Å; V129-F210 HydrophobicContact CG2-CE2 4.19Å; L182-F210 HydrophobicContact CD1-CE1 3.73Å; L182-F210 HydrophobicContact CD1-CZ 4.27Å; L182-F210 HydrophobicContact CD2-CE1 3.64Å; L182-F210 HydrophobicContact CD2-CZ 4.37Å; L182-F210 HydrophobicContact CG-CE1 4.33Å; Y189-F210 HydrophobicContact CD2-CD1 4.11Å; Y189-F210 AromaticContact CD2-CE1 3.81Å; Y189-F210 HydrophobicContact CD2-CE1 3.81Å; Y189-F210 HydrophobicContact CD2-CZ 4.28Å; Y189-F210 HydrophobicContact CE2-CD1 4.19Å; Y189-F210 AromaticContact CE2-CE1 3.96Å; Y189-F210 HydrophobicContact CE2-CE1 3.96Å; Y189-F210 HydrophobicContact CE2-CE2 4.38Å; Y189-F210 HydrophobicContact CE2-CG 4.45Å; Y189-F210 HydrophobicContact CE2-CZ 4.05Å; L207-F210 HydrophobicContact CB-CZ 4.35Å; F210-L212 PolarHBondContact O-N 3.39Å; F210-S213 WeakPolarHBondContact CD1-OG 3.43Å; F210-S213 WeakPolarHBondContact O-CB 3.1Å; F210-S213 PolarHBondContact O-N 2.95Å; F210-S213 PolarHBondContact O-OG 2.93Å
211	G	61.7	Low	70.3	Confident	6 Å²	6	53.5 Å²	53.5	6%	0.062	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-55.9	-36.2	179.4	0	0	0	0	0	111.7	R112 D209	R112-G211 WeakPolarHBondContact CD-O 3.36Å; R112-G211 WeakPolarHBondContact CG-O 3.3Å; R112-G211 PolarHBondContact NE-O 3.48Å; D209-G211 PolarHBondContact O-N 2.76Å
212	L	60.2	Low	68.9	Low	23 Å²	23	50.1 Å²	50.1	12%	0.12	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-90.3	-3.7	177.3	-38.7	-166.5	0	0	0	114.3	R190 D191 F210 C226	R190-L212 PolarHBondContact NE-O 2.84Å; R190-L212 PolarHBondContact NH2-O 2.88Å; D191-L212 HydrophobicContact CB-CB 4.06Å; D191-L212 HydrophobicContact CB-CD1 3.55Å; D191-L212 HydrophobicContact CB-CG 3.75Å; D191-L212 WeakPolarHBondContact OD1-CD1 3.35Å; F210-L212 PolarHBondContact O-N 3.39Å; L212-C226 HydrophobicContact CD1-CB 4.16Å
213	S	61.6	Low	67.4	Low	9 Å²	9	53.4 Å²	53.4	6%	0.063	26%	0.258	C	S	.	.			trans	-67.2	156.1	-174.8	-55.8	0	0	0	0	112.5	I188 Y189 F210	I188-S213 VanDerWaalsContact O-CA 3.27Å; I188-S213 WeakPolarHBondContact O-CA 3.47Å; Y189-S213 PolarHBondContact O-OG 3.49Å; F210-S213 WeakPolarHBondContact CD1-OG 3.43Å; F210-S213 WeakPolarHBondContact O-CB 3.1Å; F210-S213 PolarHBondContact O-N 2.95Å; F210-S213 PolarHBondContact O-OG 2.93Å
214	K	67.4	Low	65.9	Low	83 Å²	83	56.4 Å²	56.4	36%	0.361	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	132.8	177.6	-175	171.5	178.9	-170.9	0	111.5	I188 A216 A222	I188-K214 PolarHBondContact N-O 2.89Å; I188-K214 PolarHBondContact O-N 3.22Å; K214-A216 PolarHBondContact O-N 3.19Å; K214-A222 HydrophobicContact CD-CB 3.89Å
215	E	60	Low	63.7	Low	70 Å²	70	59.6 Å²	59.6	33%	0.327	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	121.2	166.1	-67	172.1	-174	0	0	109.1	I119 I187 L217	I119-E215 HydrophobicContact CD1-CG 4.47Å; I119-E215 HydrophobicContact CG1-CG 4.25Å; I187-E215 HydrophobicContact CG1-CG 4.33Å; E215-L217 PolarHBondContact O-N 2.99Å
216	A	56	Low	61.7	Low	31 Å²	31	60.3 Å²	60.3	26%	0.256	30%	0.298	S	S	.	.			trans	-90.3	78.1	172	0	0	0	0	0	108.6	G186 I188 K214 D218	G186-A216 PolarHBondContact O-N 3.19Å; I188-A216 HydrophobicContact CD1-CB 4.14Å; I188-A216 HydrophobicContact CG1-CB 4.39Å; K214-A216 PolarHBondContact O-N 3.19Å; A216-D218 PolarHBondContact O-N 3.35Å; A216-D218 VanDerWaalsContact O-N 3.17Å
217	L	48.6	Very low	60	Low	135 Å²	135	61.4 Å²	61.4	71%	0.707	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	115.6	169.5	-64.9	165	0	0	0	108.1	E215	E215-L217 PolarHBondContact O-N 2.99Å
218	D	42.1	Very low	59.1	Low	118 Å²	118	63.5 Å²	63.5	63%	0.631	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	73.3	-179.3	-77.2	-13.4	0	0	0	117	A216 R220	A216-D218 PolarHBondContact O-N 3.35Å; A216-D218 VanDerWaalsContact O-N 3.17Å; D218-R220 WeakPolarHBondContact O-CA 3.48Å; D218-R220 VanDerWaalsContact O-CB 3.3Å; D218-R220 WeakPolarHBondContact O-CB 3.35Å; D218-R220 WeakPolarHBondContact O-CG 3.41Å; D218-R220 PolarHBondContact O-N 2.94Å; D218-R220 IonicContact OD2-NH2 3.33Å; D218-R220 PolarHBondContact OD2-NH2 3.37Å; D218-R220 VanDerWaalsContact OD2-NH2 3.09Å
219	D	50	Low	58.9	Low	176 Å²	176	63.7 Å²	63.7	94%	0.941	32%	0.323	S	S	*	.	S	Bend	trans	47.7	16.4	166.6	-100	-16.2	0	0	0	116.1
220	R	51.1	Low	59.4	Low	170 Å²	170	64.9 Å²	64.9	64%	0.642	33%	0.328	S	S	*	.			trans	-95.7	115	-165.5	-88.9	166.4	-136.6	-154.6	15.4	108.2	D218 A222	D218-R220 WeakPolarHBondContact O-CA 3.48Å; D218-R220 VanDerWaalsContact O-CB 3.3Å; D218-R220 WeakPolarHBondContact O-CB 3.35Å; D218-R220 WeakPolarHBondContact O-CG 3.41Å; D218-R220 PolarHBondContact O-N 2.94Å; D218-R220 IonicContact OD2-NH2 3.33Å; D218-R220 PolarHBondContact OD2-NH2 3.37Å; D218-R220 VanDerWaalsContact OD2-NH2 3.09Å; R220-A222 PolarHBondContact O-N 3.33Å
221	K	51.7	Low	60	Low	107 Å²	107	65.5 Å²	65.5	47%	0.465	33%	0.331	S	S	.	.			trans	-46.5	137.6	176.2	-61.8	178.7	179.8	177.6	0	112.1	Y223 H242	K221-Y223 HydrophobicContact CB-CE2 4.28Å; K221-Y223 WeakPolarHBondContact O-CD2 3.41Å; K221-Y223 VanDerWaalsContact O-CE2 3.23Å; K221-Y223 WeakPolarHBondContact O-CE2 3.29Å; K221-H242 WeakPolarHBondContact CA-O 3.45Å
222	A	52	Low	61.4	Low	2 Å²	2	65.5 Å²	65.5	2%	0.017	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-87	130.8	168.9	0	0	0	0	0	110.4	K214 R220 G241 H242	K214-A222 HydrophobicContact CD-CB 3.89Å; R220-A222 PolarHBondContact O-N 3.33Å; A222-G241 CarbonylContact O-C 3.32Å; A222-G241 WeakPolarHBondContact O-CA 3.38Å; A222-H242 WeakPolarHBondContact CB-NE2 3.26Å; A222-H242 PolarHBondContact N-O 3.48Å; A222-H242 PolarHBondContact O-CE1 2.86Å; A222-H242 PolarHBondContact O-N 3.46Å; A222-H242 PolarHBondContact O-ND1 3.47Å
223	Y	51.7	Low	62.9	Low	153 Å²	153	64.5 Å²	64.5	60%	0.6	32%	0.324	S	S	*	.			trans	-101.4	-2.6	-173.2	-64.8	-85.8	0	0	0	114.6	K221	K221-Y223 HydrophobicContact CB-CE2 4.28Å; K221-Y223 WeakPolarHBondContact O-CD2 3.41Å; K221-Y223 VanDerWaalsContact O-CE2 3.23Å; K221-Y223 WeakPolarHBondContact O-CE2 3.29Å
224	S	54.2	Low	64.4	Low	62 Å²	62	64.4 Å²	64.4	43%	0.434	32%	0.323	S	S	.	.			trans	-76.6	135.5	-172.7	-48.1	0	0	0	0	112.5	C226 H242	S224-C226 PolarHBondContact O-N 3.05Å; S224-H242 PolarHBondContact O-CE1 3.13Å
225	F	43.8	Very low	65.5	Low	72 Å²	72	61 Å²	61	32%	0.316	31%	0.309	S	S	.	.			trans	-82.8	104	170.5	-176	-90.8	0	0	0	109.5	V229 M232 M274	F225-V229 HydrophobicContact CZ-CG2 4.36Å; F225-M232 HydrophobicContact CD2-SD 4.48Å; F225-M232 HydrophobicContact CE1-CE 4.12Å; F225-M232 HydrophobicContact CE2-CE 4.14Å; F225-M232 HydrophobicContact CE2-SD 3.78Å; F225-M232 HydrophobicContact CZ-CE 3.89Å; F225-M232 HydrophobicContact CZ-SD 3.86Å; F225-M274 HydrophobicContact CE1-CE 4.48Å; F225-M274 HydrophobicContact CE2-CE 3.88Å; F225-M274 HydrophobicContact CZ-CE 3.41Å; F225-M274 VanDerWaalsContact CZ-CE 3.41Å
226	C	51.2	Low	66.8	Low	17 Å²	17	58.2 Å²	58.2	12%	0.115	30%	0.296	C	S	.	.			trans	-153	146.7	178.5	57.1	0	0	0	0	111.2	L212 S224 M232	L212-C226 HydrophobicContact CD1-CB 4.16Å; S224-C226 PolarHBondContact O-N 3.05Å; C226-M232 WeakPolarHBondContact O-CE 3.28Å
227	G	56.7	Low	68.3	Low	28 Å²	28	57.6 Å²	57.6	29%	0.289	29%	0.289	S	S	.	.	S	Bend	trans	125.6	170.4	-178.1	0	0	0	0	0	113.2	M232	G227-M232 VanDerWaalsContact C-CE 3.49Å; G227-M232 WeakPolarHBondContact O-CE 3.39Å
228	T	73.1	Confident	70	Confident	44 Å²	44	54.8 Å²	54.8	27%	0.27	28%	0.275	S	S	.	.			trans	-74.9	125.2	167.9	-62	0	0	0	0	109.2	K193 E230 Y231 M232	K193-T228 WeakPolarHBondContact CD-OG1 3.47Å; T228-E230 HydrophobicContact CG2-CB 4.41Å; T228-E230 WeakPolarHBondContact CG2-OE2 3.48Å; T228-E230 PolarHBondContact O-N 3.42Å; T228-E230 VanDerWaalsContact O-N 3.17Å; T228-Y231 HydrophobicContact CG2-CD2 3.82Å; T228-Y231 HydrophobicContact CG2-CE2 4.1Å; T228-Y231 PolarHBondContact O-N 3.04Å; T228-M232 PolarHBondContact O-N 3.07Å
229	V	85.4	Confident	71.6	Confident	10 Å²	10	57.1 Å²	57.1	6%	0.061	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-59.2	-36.8	-165	172.8	0	0	0	0	112.2	F225 Y231 M232 R270 T273 M274 I277	F225-V229 HydrophobicContact CZ-CG2 4.36Å; V229-Y231 PolarHBondContact O-N 2.51Å; V229-M232 HydrophobicContact CG2-SD 4.26Å; V229-M232 WeakPolarHBondContact O-CB 3.4Å; V229-M232 PolarHBondContact O-N 3.31Å; V229-M232 VanDerWaalsContact O-N 3.14Å; V229-R270 HydrophobicContact CB-CG 4.4Å; V229-R270 HydrophobicContact CG1-CG 4.18Å; V229-R270 HydrophobicContact CG2-CG 3.89Å; V229-T273 HydrophobicContact CG1-CG2 4.05Å; V229-M274 HydrophobicContact CG1-CE 4Å; V229-M274 HydrophobicContact CG1-CG 3.66Å; V229-M274 HydrophobicContact CG2-CE 3.95Å; V229-I277 HydrophobicContact CG1-CD1 4.33Å; V229-I277 WeakPolarHBondContact O-CD1 3.15Å
230	E	89.7	Confident	72.2	Confident	46 Å²	46	55.6 Å²	55.6	22%	0.215	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-59.5	-29.3	179.9	-65.2	72.3	-165.4	0	0	113	T228 L263 T273	T228-E230 HydrophobicContact CG2-CB 4.41Å; T228-E230 WeakPolarHBondContact CG2-OE2 3.48Å; T228-E230 PolarHBondContact O-N 3.42Å; T228-E230 VanDerWaalsContact O-N 3.17Å; E230-L263 HydrophobicContact CB-CD1 3.87Å; E230-L263 HydrophobicContact CB-CD2 4.33Å; E230-L263 HydrophobicContact CG-CD1 3.73Å; E230-T273 HydrophobicContact CG-CG2 4.1Å
231	Y	91.6	Very high	72.8	Confident	13 Å²	13	47.8 Å²	47.8	5%	0.051	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-98.6	-9.4	179.2	-61	-94.8	0	0	0	112.9	L192 K193 P194 T228 V229 S250 V253 E257 L263	L192-Y231 WeakPolarHBondContact O-CB 3.47Å; L192-Y231 WeakPolarHBondContact O-CD1 3.37Å; K193-Y231 HydrophobicContact CB-CD1 4.35Å; K193-Y231 HydrophobicContact CB-CD2 3.98Å; K193-Y231 HydrophobicContact CB-CE1 4.38Å; K193-Y231 HydrophobicContact CB-CE2 3.98Å; K193-Y231 HydrophobicContact CB-CG 4.19Å; P194-Y231 WeakPolarHBondContact CD-OH 3.49Å; P194-Y231 HydrophobicContact CG-CE1 4.36Å; P194-Y231 VanDerWaalsContact CG-OH 3.24Å; P194-Y231 WeakPolarHBondContact CG-OH 3.28Å; T228-Y231 HydrophobicContact CG2-CD2 3.82Å; T228-Y231 HydrophobicContact CG2-CE2 4.1Å; T228-Y231 PolarHBondContact O-N 3.04Å; V229-Y231 PolarHBondContact O-N 2.51Å; Y231-S250 PolarHBondContact O-OG 3.38Å; Y231-V253 HydrophobicContact CD1-CB 3.8Å; Y231-V253 HydrophobicContact CD1-CG1 3.4Å; Y231-V253 HydrophobicContact CE1-CB 4.29Å; Y231-V253 HydrophobicContact CE1-CG1 3.57Å; Y231-V253 HydrophobicContact CG-CG1 4.04Å; Y231-E257 VanDerWaalsContact OH-CD 3.27Å; Y231-E257 PolarHBondContact OH-OE1 2.95Å; Y231-E257 PolarHBondContact OH-OE2 3.39Å; Y231-L263 HydrophobicContact CE1-CD2 4.32Å; Y231-L263 HydrophobicContact CE2-CD2 4.32Å
232	M	90.7	Very high	73.5	Confident	7 Å²	7	42.9 Å²	42.9	3%	0.034	21%	0.211	C	C	.	.			trans	-67.9	136.3	-176.4	-72.2	178.9	172.1	0	0	112.5	F225 C226 G227 T228 V229 V236 V237 W249	F225-M232 HydrophobicContact CD2-SD 4.48Å; F225-M232 HydrophobicContact CE1-CE 4.12Å; F225-M232 HydrophobicContact CE2-CE 4.14Å; F225-M232 HydrophobicContact CE2-SD 3.78Å; F225-M232 HydrophobicContact CZ-CE 3.89Å; F225-M232 HydrophobicContact CZ-SD 3.86Å; C226-M232 WeakPolarHBondContact O-CE 3.28Å; G227-M232 VanDerWaalsContact C-CE 3.49Å; G227-M232 WeakPolarHBondContact O-CE 3.39Å; T228-M232 PolarHBondContact O-N 3.07Å; V229-M232 HydrophobicContact CG2-SD 4.26Å; V229-M232 WeakPolarHBondContact O-CB 3.4Å; V229-M232 PolarHBondContact O-N 3.31Å; V229-M232 VanDerWaalsContact O-N 3.14Å; M232-V236 HydrophobicContact CB-CB 4.4Å; M232-V236 HydrophobicContact CB-CG1 4.38Å; M232-V236 HydrophobicContact CG-CG1 4.16Å; M232-V236 HydrophobicContact SD-CG1 4.22Å; M232-V237 HydrophobicContact CB-CG2 3.8Å; M232-V237 HydrophobicContact SD-CG2 4.43Å; M232-W249 PolarHBondContact O-NE1 3.14Å; M232-W249 VanDerWaalsContact O-NE1 3.15Å
233	A	92.5	Very high	74.9	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.008	23%	0.228	C	C	.	.			trans	-69	152.6	171.5	0	0	0	0	0	112.5	E235 V236 V237 A246 W249	A233-E235 VanDerWaalsContact CB-CD 3.45Å; A233-E235 HydrophobicContact CB-CG 4.38Å; A233-E235 WeakPolarHBondContact CB-OE1 3.42Å; A233-E235 WeakPolarHBondContact CB-OE2 3.24Å; A233-E235 PolarHBondContact O-N 2.83Å; A233-E235 VanDerWaalsContact O-N 3.15Å; A233-V236 HydrophobicContact CB-CG2 4.1Å; A233-V236 WeakPolarHBondContact O-CA 2.93Å; A233-V236 WeakPolarHBondContact O-CB 3.49Å; A233-V236 PolarHBondContact O-N 2.96Å; A233-V237 PolarHBondContact O-N 3.35Å; A233-A246 HydrophobicContact CB-CB 4.03Å; A233-W249 VanDerWaalsContact CA-CD1 3.47Å; A233-W249 HydrophobicContact CB-CB 3.61Å; A233-W249 HydrophobicContact CB-CD2 4.27Å; A233-W249 HydrophobicContact CB-CG 3.67Å
234	P	93.1	Very high	76.6	Confident	7 Å²	7	40.2 Å²	40.2	5%	0.045	21%	0.213	C	C	.	.	H	α-helix	trans	-54	-36	179.6	-28.4	35.6	0	0	0	114.3	V237 N238 W249 I277 L278 R302	P234-V237 PolarHBondContact O-N 3.17Å; P234-N238 VanDerWaalsContact O-CB 3.32Å; P234-N238 WeakPolarHBondContact O-CB 3.41Å; P234-N238 PolarHBondContact O-N 2.86Å; P234-N238 PolarHBondContact O-ND2 3.18Å; P234-W249 HydrophobicContact CG-CD2 4.44Å; P234-W249 HydrophobicContact CG-CE3 4.08Å; P234-W249 HydrophobicContact CG-CH2 3.55Å; P234-W249 HydrophobicContact CG-CZ2 3.95Å; P234-W249 HydrophobicContact CG-CZ3 3.62Å; P234-I277 HydrophobicContact CG-CG2 4.11Å; P234-L278 HydrophobicContact CB-CD2 4.01Å; P234-R302 HydrophobicContact CG-CB 4.47Å; P234-R302 HydrophobicContact CG-CG 4.16Å
235	E	90.6	Very high	78.4	Confident	13 Å²	13	37.3 Å²	37.3	6%	0.061	19%	0.192	C	C	.	.	H	α-helix	trans	-70.9	-29.5	177.2	65.4	-85.5	-161	0	0	113.5	A233 R239 K240 H242 R307	A233-E235 VanDerWaalsContact CB-CD 3.45Å; A233-E235 HydrophobicContact CB-CG 4.38Å; A233-E235 WeakPolarHBondContact CB-OE1 3.42Å; A233-E235 WeakPolarHBondContact CB-OE2 3.24Å; A233-E235 PolarHBondContact O-N 2.83Å; A233-E235 VanDerWaalsContact O-N 3.15Å; E235-R239 PolarHBondContact O-N 3.19Å; E235-R239 VanDerWaalsContact O-N 3.16Å; E235-K240 PolarHBondContact O-N 2.92Å; E235-K240 VanDerWaalsContact O-N 3.07Å; E235-H242 HydrophobicContact CG-CB 4.18Å; E235-R307 IonicContact OE1-CZ 2.75Å; E235-R307 IonicContact OE1-NH1 2.88Å; E235-R307 PolarHBondContact OE1-NH1 2.76Å; E235-R307 IonicContact OE1-NH2 3.72Å; E235-R307 PolarHBondContact OE1-NH2 2.76Å; E235-R307 IonicContact OE2-CZ 2.61Å; E235-R307 IonicContact OE2-NH1 3.83Å; E235-R307 IonicContact OE2-NH2 2.67Å; E235-R307 PolarHBondContact OE2-NH2 2.8Å
236	V	87.8	Confident	80.7	Confident	11 Å²	11	34 Å²	34	7%	0.067	18%	0.179	C	C	.	.	H	α-helix	trans	-72.3	-45.9	173.4	-178.6	0	0	0	0	109.3	M232 A233 N238 R239 H242 A246	M232-V236 HydrophobicContact CB-CB 4.4Å; M232-V236 HydrophobicContact CB-CG1 4.38Å; M232-V236 HydrophobicContact CG-CG1 4.16Å; M232-V236 HydrophobicContact SD-CG1 4.22Å; A233-V236 HydrophobicContact CB-CG2 4.1Å; A233-V236 WeakPolarHBondContact O-CA 2.93Å; A233-V236 WeakPolarHBondContact O-CB 3.49Å; A233-V236 PolarHBondContact O-N 2.96Å; V236-N238 VanDerWaalsContact C-N 3.32Å; V236-N238 PolarHBondContact O-N 3.35Å; V236-R239 PolarHBondContact O-N 3.1Å; V236-R239 VanDerWaalsContact O-N 3.11Å; V236-H242 HydrophobicContact CG2-CB 3.71Å; V236-A246 HydrophobicContact CG2-CB 3.78Å
237	V	86.3	Confident	82.7	Confident	17 Å²	17	33.2 Å²	33.2	10%	0.103	17%	0.173	C	C	.	.	H	α-helix	trans	-59.6	-42.9	175.8	178	0	0	0	0	111.1	M232 A233 P234 R239 M274 I277 L278	M232-V237 HydrophobicContact CB-CG2 3.8Å; M232-V237 HydrophobicContact SD-CG2 4.43Å; A233-V237 PolarHBondContact O-N 3.35Å; P234-V237 PolarHBondContact O-N 3.17Å; V237-R239 VanDerWaalsContact C-N 3.28Å; V237-R239 PolarHBondContact O-N 3.15Å; V237-M274 HydrophobicContact CG1-CB 3.99Å; V237-M274 HydrophobicContact CG1-CG 3.98Å; V237-I277 HydrophobicContact CG2-CD1 4.49Å; V237-I277 HydrophobicContact CG2-CG2 4.09Å; V237-L278 HydrophobicContact CB-CD2 4.24Å; V237-L278 HydrophobicContact CG1-CD1 4Å; V237-L278 HydrophobicContact CG1-CD2 4.16Å; V237-L278 HydrophobicContact CG1-CG 4.03Å
238	N	84	Confident	84.6	Confident	77 Å²	77	32 Å²	32	41%	0.412	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.9	178	-77.8	-33.9	0	0	0	114.7	P234 V236 K240 L278	P234-N238 VanDerWaalsContact O-CB 3.32Å; P234-N238 WeakPolarHBondContact O-CB 3.41Å; P234-N238 PolarHBondContact O-N 2.86Å; P234-N238 PolarHBondContact O-ND2 3.18Å; V236-N238 VanDerWaalsContact C-N 3.32Å; V236-N238 PolarHBondContact O-N 3.35Å; N238-K240 HydrophobicContact CB-CD 4.18Å; N238-K240 HydrophobicContact CB-CG 3.96Å; N238-K240 PolarHBondContact O-N 2.83Å; N238-K240 VanDerWaalsContact O-N 3.12Å; N238-L278 VanDerWaalsContact ND2-CD2 3.3Å; N238-L278 WeakPolarHBondContact ND2-CD2 3.41Å
239	R	75.5	Confident	85.7	Confident	167 Å²	167	29.9 Å²	29.9	63%	0.63	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.1	27.5	-177.6	-51.9	-179.4	179.2	-150.4	-1	114.3	E235 V236 V237 G241	E235-R239 PolarHBondContact O-N 3.19Å; E235-R239 VanDerWaalsContact O-N 3.16Å; V236-R239 PolarHBondContact O-N 3.1Å; V236-R239 VanDerWaalsContact O-N 3.11Å; V237-R239 VanDerWaalsContact C-N 3.28Å; V237-R239 PolarHBondContact O-N 3.15Å; R239-G241 PolarHBondContact O-N 2.57Å; R239-G241 VanDerWaalsContact O-N 3.11Å
240	K	62.6	Low	86.1	Confident	143 Å²	143	29.7 Å²	29.7	62%	0.622	15%	0.146	S	C	*	.	S	Bend	trans	-79.6	11.7	-177.5	-74.5	-175.3	177	-172.7	0	113.9	E235 N238	E235-K240 PolarHBondContact O-N 2.92Å; E235-K240 VanDerWaalsContact O-N 3.07Å; N238-K240 HydrophobicContact CB-CD 4.18Å; N238-K240 HydrophobicContact CB-CG 3.96Å; N238-K240 PolarHBondContact O-N 2.83Å; N238-K240 VanDerWaalsContact O-N 3.12Å
241	G	65.1	Low	86.4	Confident	6 Å²	6	27.5 Å²	27.5	6%	0.062	14%	0.136	C	C	.	.			trans	77.1	142.4	-165.8	0	0	0	0	0	111.6	A222 R239	A222-G241 CarbonylContact O-C 3.32Å; A222-G241 WeakPolarHBondContact O-CA 3.38Å; R239-G241 PolarHBondContact O-N 2.57Å; R239-G241 VanDerWaalsContact O-N 3.11Å
242	H	66	Low	86.7	Confident	5 Å²	5	26.9 Å²	26.9	2%	0.023	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-127.1	150.8	178.4	52	-90.4	0	0	0	112	R190 K221 A222 S224 E235 V236 A246	R190-H242 WeakPolarHBondContact CD-NE2 3.04Å; R190-H242 PolarHBondContact NH1-NE2 3.12Å; K221-H242 WeakPolarHBondContact CA-O 3.45Å; A222-H242 WeakPolarHBondContact CB-NE2 3.26Å; A222-H242 PolarHBondContact N-O 3.48Å; A222-H242 PolarHBondContact O-CE1 2.86Å; A222-H242 PolarHBondContact O-N 3.46Å; A222-H242 PolarHBondContact O-ND1 3.47Å; S224-H242 PolarHBondContact O-CE1 3.13Å; E235-H242 HydrophobicContact CG-CB 4.18Å; V236-H242 HydrophobicContact CG2-CB 3.71Å; H242-A246 HydrophobicContact CB-CB 4.04Å
243	S	81.5	Confident	86.9	Confident	54 Å²	54	26.6 Å²	26.6	38%	0.378	13%	0.132	S	C	.	.			trans	-114	-171.6	172.9	61.9	0	0	0	0	109.9	A245 A246	S243-A245 PolarHBondContact O-N 2.63Å; S243-A245 WeakPolarHBondContact OG-CB 3.38Å; S243-A245 PolarHBondContact OG-N 2.92Å; S243-A246 PolarHBondContact O-N 3.26Å
244	T	88.1	Confident	86.9	Confident	44 Å²	44	26.6 Å²	26.6	27%	0.27	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-23.7	169.5	51.9	0	0	0	0	113.7	H183 I188 A246 D247	H183-T244 HydrophobicContact CB-CG2 3.98Å; H183-T244 VanDerWaalsContact CD2-CG2 3.47Å; H183-T244 WeakPolarHBondContact CD2-CG2 3.45Å; I188-T244 HydrophobicContact CG1-CG2 4.07Å; T244-A246 PolarHBondContact O-N 3.06Å; T244-A246 VanDerWaalsContact O-N 3.13Å; T244-D247 WeakPolarHBondContact O-CB 3.4Å; T244-D247 PolarHBondContact O-N 3Å
245	A	91.4	Very high	87	Confident	1 Å²	1	26.2 Å²	26.2	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-53.6	-31.3	173.7	0	0	0	0	0	113.9	S243 D247 W248 W249 P304 R307 T310	S243-A245 PolarHBondContact O-N 2.63Å; S243-A245 WeakPolarHBondContact OG-CB 3.38Å; S243-A245 PolarHBondContact OG-N 2.92Å; A245-D247 VanDerWaalsContact C-N 3.3Å; A245-D247 PolarHBondContact O-N 3.46Å; A245-W248 PolarHBondContact O-N 3.32Å; A245-W249 PolarHBondContact O-N 3.17Å; A245-P304 HydrophobicContact CB-CB 3.84Å; A245-R307 VanDerWaalsContact C-NH1 3.33Å; A245-R307 PolarHBondContact O-NH1 2.71Å; A245-T310 HydrophobicContact CB-CG2 3.45Å; A245-T310 VanDerWaalsContact CB-CG2 3.45Å
246	A	92.1	Very high	87.1	Confident	4 Å²	4	26.1 Å²	26.1	3%	0.033	13%	0.129	C	C	.	.	H	α-helix	trans	-67.6	-31	179.8	0	0	0	0	0	112.5	A233 V236 H242 S243 T244 W248 W249 S250	A233-A246 HydrophobicContact CB-CB 4.03Å; V236-A246 HydrophobicContact CG2-CB 3.78Å; H242-A246 HydrophobicContact CB-CB 4.04Å; S243-A246 PolarHBondContact O-N 3.26Å; T244-A246 PolarHBondContact O-N 3.06Å; T244-A246 VanDerWaalsContact O-N 3.13Å; A246-W248 VanDerWaalsContact C-N 3.32Å; A246-W249 PolarHBondContact O-N 3.4Å; A246-S250 PolarHBondContact O-N 2.81Å; A246-S250 PolarHBondContact O-OG 2.73Å
247	D	93.6	Very high	87.1	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.5	-36.7	176.2	-65.3	-24.9	0	0	0	110.4	L179 H183 Y189 R190 T244 A245 W249 S250 F251	L179-D247 HydrophobicContact CD1-CB 4.43Å; L179-D247 HydrophobicContact CD2-CB 4.14Å; H183-D247 IonicContact CD2-OD2 3.56Å; H183-D247 IonicContact CE1-OD2 3.33Å; H183-D247 IonicContact NE2-OD2 3.61Å; H183-D247 PolarHBondContact NE2-OD2 3.36Å; Y189-D247 PolarHBondContact N-OD2 3.44Å; R190-D247 PolarHBondContact N-OD1 3.27Å; T244-D247 WeakPolarHBondContact O-CB 3.4Å; T244-D247 PolarHBondContact O-N 3Å; A245-D247 VanDerWaalsContact C-N 3.3Å; A245-D247 PolarHBondContact O-N 3.46Å; D247-W249 PolarHBondContact O-N 3.4Å; D247-S250 WeakPolarHBondContact O-CB 3.23Å; D247-S250 PolarHBondContact O-N 3.39Å; D247-F251 WeakPolarHBondContact O-CB 3.36Å; D247-F251 PolarHBondContact O-N 3.24Å
248	W	95.6	Very high	87.2	Confident	1 Å²	1	26.8 Å²	26.8	0%	0.004	13%	0.131	C	C	.	.	H	α-helix	trans	-68.8	-29.8	176.3	-63.9	127.5	0	0	0	114.1	A176 L179 H183 A245 A246 F251 G252 L299 G309 I315 I318	A176-W248 HydrophobicContact CB-CH2 4.36Å; A176-W248 HydrophobicContact CB-CZ3 4.39Å; L179-W248 HydrophobicContact CB-CH2 4.16Å; L179-W248 HydrophobicContact CD1-CE3 4.16Å; L179-W248 HydrophobicContact CD1-CH2 4.25Å; L179-W248 HydrophobicContact CD1-CZ3 3.84Å; H183-W248 AromaticContact CE1-NE1 3.87Å; H183-W248 AromaticContact ND1-NE1 3.92Å; A245-W248 PolarHBondContact O-N 3.32Å; A246-W248 VanDerWaalsContact C-N 3.32Å; W248-F251 HydrophobicContact CE3-CB 4.11Å; W248-F251 HydrophobicContact CE3-CD1 4.43Å; W248-F251 HydrophobicContact CE3-CD2 4.3Å; W248-F251 HydrophobicContact CE3-CG 4.06Å; W248-F251 HydrophobicContact CZ3-CD2 4.06Å; W248-F251 HydrophobicContact CZ3-CE2 4.27Å; W248-F251 HydrophobicContact CZ3-CG 4.25Å; W248-G252 PolarHBondContact O-N 3.01Å; W248-G252 VanDerWaalsContact O-N 3.09Å; W248-L299 HydrophobicContact CB-CD2 4.27Å; W248-G309 PolarHBondContact NE1-O 3.48Å; W248-G309 VanDerWaalsContact NE1-O 3.1Å; W248-I315 HydrophobicContact CH2-CD1 3.79Å; W248-I315 HydrophobicContact CH2-CG1 3.86Å; W248-I315 HydrophobicContact CZ2-CB 4.23Å; W248-I315 HydrophobicContact CZ2-CD1 4.15Å; W248-I315 HydrophobicContact CZ2-CG1 3.98Å; W248-I318 HydrophobicContact CD2-CD1 3.29Å; W248-I318 HydrophobicContact CE3-CD1 3.13Å; W248-I318 HydrophobicContact CG-CD1 4.08Å; W248-I318 HydrophobicContact CH2-CD1 3.53Å; W248-I318 HydrophobicContact CZ2-CD1 3.66Å; W248-I318 HydrophobicContact CZ3-CD1 3.26Å
249	W	95.8	Very high	87.4	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.3	-48.4	168.9	175.9	-80.1	0	0	0	110.7	M232 A233 P234 A245 A246 D247 F251 G252 V253 F265 I277 F300 R302	M232-W249 PolarHBondContact O-NE1 3.14Å; M232-W249 VanDerWaalsContact O-NE1 3.15Å; A233-W249 VanDerWaalsContact CA-CD1 3.47Å; A233-W249 HydrophobicContact CB-CB 3.61Å; A233-W249 HydrophobicContact CB-CD2 4.27Å; A233-W249 HydrophobicContact CB-CG 3.67Å; P234-W249 HydrophobicContact CG-CD2 4.44Å; P234-W249 HydrophobicContact CG-CE3 4.08Å; P234-W249 HydrophobicContact CG-CH2 3.55Å; P234-W249 HydrophobicContact CG-CZ2 3.95Å; P234-W249 HydrophobicContact CG-CZ3 3.62Å; A245-W249 PolarHBondContact O-N 3.17Å; A246-W249 PolarHBondContact O-N 3.4Å; D247-W249 PolarHBondContact O-N 3.4Å; W249-F251 PolarHBondContact O-N 2.92Å; W249-G252 CarbonylContact O-C 3.57Å; W249-G252 WeakPolarHBondContact O-CA 3.43Å; W249-G252 PolarHBondContact O-N 3.32Å; W249-V253 PolarHBondContact O-N 2.82Å; W249-F265 AromaticContact CH2-CE2 3.95Å; W249-F265 HydrophobicContact CH2-CE2 3.95Å; W249-F265 HydrophobicContact CZ2-CD2 4.04Å; W249-F265 AromaticContact CZ2-CE2 3.68Å; W249-F265 HydrophobicContact CZ2-CE2 3.68Å; W249-I277 HydrophobicContact CZ2-CG2 4.02Å; W249-F300 HydrophobicContact CD2-CD1 4.06Å; W249-F300 HydrophobicContact CD2-CE1 4.42Å; W249-F300 AromaticContact CE3-CD1 3.99Å; W249-F300 HydrophobicContact CE3-CD1 3.99Å; W249-F300 AromaticContact CH2-CD1 3.92Å; W249-F300 HydrophobicContact CH2-CD1 3.92Å; W249-F300 AromaticContact CZ2-CD1 3.96Å; W249-F300 HydrophobicContact CZ2-CD1 3.96Å; W249-F300 HydrophobicContact CZ2-CE1 4.32Å; W249-F300 HydrophobicContact CZ3-CB 4.35Å; W249-F300 AromaticContact CZ3-CD1 3.94Å; W249-F300 HydrophobicContact CZ3-CD1 3.94Å; W249-R302 HydrophobicContact CZ3-CG 4.4Å
250	S	95	Very high	87.7	Confident	7 Å²	7	17.6 Å²	17.6	5%	0.049	10%	0.095	C	C	.	.	H	α-helix	trans	-60.7	-37.2	179.4	-48.3	0	0	0	0	111.3	Y231 A246 D247 G252 V253 L254	Y231-S250 PolarHBondContact O-OG 3.38Å; A246-S250 PolarHBondContact O-N 2.81Å; A246-S250 PolarHBondContact O-OG 2.73Å; D247-S250 WeakPolarHBondContact O-CB 3.23Å; D247-S250 PolarHBondContact O-N 3.39Å; S250-G252 VanDerWaalsContact C-N 3.33Å; S250-G252 PolarHBondContact O-N 2.94Å; S250-V253 PolarHBondContact O-N 2.84Å; S250-L254 PolarHBondContact O-N 2.89Å
251	F	96.3	Very high	88.6	Confident	0 Å²	0	13.9 Å²	13.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-60.6	-41.3	171.9	-176.5	-82.8	0	0	0	111.6	L172 L175 A176 L179 L192 D247 W248 W249 L254 M255 L299 F324	L172-F251 HydrophobicContact CB-CE1 4.37Å; L172-F251 HydrophobicContact CB-CE2 4.25Å; L172-F251 HydrophobicContact CB-CZ 3.67Å; L172-F251 HydrophobicContact CD1-CE1 4.33Å; L172-F251 HydrophobicContact CD1-CZ 4.43Å; L172-F251 HydrophobicContact CD2-CD1 4.49Å; L172-F251 HydrophobicContact CD2-CD2 4.38Å; L172-F251 HydrophobicContact CD2-CE1 4.06Å; L172-F251 HydrophobicContact CD2-CE2 3.94Å; L172-F251 HydrophobicContact CD2-CZ 3.79Å; L172-F251 HydrophobicContact CG-CE1 4.49Å; L172-F251 HydrophobicContact CG-CZ 4.16Å; L172-F251 VanDerWaalsContact O-CE2 3.27Å; L172-F251 WeakPolarHBondContact O-CE2 3.35Å; L172-F251 WeakPolarHBondContact O-CZ 3.4Å; L175-F251 HydrophobicContact CB-CE2 4.13Å; L175-F251 HydrophobicContact CD2-CD2 3.7Å; L175-F251 HydrophobicContact CD2-CE2 3.94Å; L175-F251 HydrophobicContact CG-CD2 3.97Å; L175-F251 HydrophobicContact CG-CE2 4.01Å; A176-F251 HydrophobicContact CB-CE2 4.11Å; A176-F251 HydrophobicContact CB-CZ 4.31Å; L179-F251 HydrophobicContact CD1-CD2 3.97Å; L192-F251 HydrophobicContact CD2-CB 3.93Å; D247-F251 WeakPolarHBondContact O-CB 3.36Å; D247-F251 PolarHBondContact O-N 3.24Å; W248-F251 HydrophobicContact CE3-CB 4.11Å; W248-F251 HydrophobicContact CE3-CD1 4.43Å; W248-F251 HydrophobicContact CE3-CD2 4.3Å; W248-F251 HydrophobicContact CE3-CG 4.06Å; W248-F251 HydrophobicContact CZ3-CD2 4.06Å; W248-F251 HydrophobicContact CZ3-CE2 4.27Å; W248-F251 HydrophobicContact CZ3-CG 4.25Å; W249-F251 PolarHBondContact O-N 2.92Å; F251-L254 PolarHBondContact O-N 3.35Å; F251-M255 WeakPolarHBondContact O-CB 3.32Å; F251-M255 PolarHBondContact O-N 2.88Å; F251-L299 HydrophobicContact CD1-CD1 3.83Å; F251-L299 HydrophobicContact CD1-CD2 4.34Å; F251-L299 HydrophobicContact CE1-CD1 4.22Å; F251-F324 HydrophobicContact CE1-CZ 4.44Å; F251-F324 HydrophobicContact CZ-CZ 4.16Å
252	G	96.6	Very high	89.5	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.8	-39.7	173	0	0	0	0	0	113.5	W248 W249 S250 M255 F256 F300	W248-G252 PolarHBondContact O-N 3.01Å; W248-G252 VanDerWaalsContact O-N 3.09Å; W249-G252 CarbonylContact O-C 3.57Å; W249-G252 WeakPolarHBondContact O-CA 3.43Å; W249-G252 PolarHBondContact O-N 3.32Å; S250-G252 VanDerWaalsContact C-N 3.33Å; S250-G252 PolarHBondContact O-N 2.94Å; G252-M255 PolarHBondContact O-N 3.07Å; G252-F256 WeakPolarHBondContact O-CB 3.3Å; G252-F256 PolarHBondContact O-N 2.95Å; G252-F300 VanDerWaalsContact O-CZ 3.28Å; G252-F300 WeakPolarHBondContact O-CZ 3.27Å
253	V	95.3	Very high	90.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.6	-48.4	173.7	178.6	0	0	0	0	110.2	Y231 W249 S250 F256 E257 L263 P264 F300	Y231-V253 HydrophobicContact CD1-CB 3.8Å; Y231-V253 HydrophobicContact CD1-CG1 3.4Å; Y231-V253 HydrophobicContact CE1-CB 4.29Å; Y231-V253 HydrophobicContact CE1-CG1 3.57Å; Y231-V253 HydrophobicContact CG-CG1 4.04Å; W249-V253 PolarHBondContact O-N 2.82Å; S250-V253 PolarHBondContact O-N 2.84Å; V253-F256 PolarHBondContact O-N 3.4Å; V253-E257 WeakPolarHBondContact O-CB 3.28Å; V253-E257 PolarHBondContact O-N 2.77Å; V253-L263 HydrophobicContact CG1-CD2 3.77Å; V253-P264 HydrophobicContact CB-CG 4.38Å; V253-P264 HydrophobicContact CG1-CG 4.07Å; V253-P264 HydrophobicContact CG2-CG 4.15Å; V253-F300 HydrophobicContact CG2-CE1 3.74Å; V253-F300 HydrophobicContact CG2-CZ 4.16Å
254	L	92.9	Very high	91.2	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-59.9	-47.6	177.5	-170.9	77.5	0	0	0	112	F154 L172 L175 P194 I197 S250 F251 F256 E257 M258	F154-L254 HydrophobicContact CD2-CD1 4.42Å; F154-L254 HydrophobicContact CE2-CD1 3.52Å; F154-L254 HydrophobicContact CE2-CG 4.38Å; F154-L254 HydrophobicContact CZ-CD1 4.04Å; L172-L254 HydrophobicContact CD2-CD2 4.29Å; L175-L254 HydrophobicContact CD2-CD2 3.33Å; P194-L254 HydrophobicContact CG-CD1 3.8Å; I197-L254 HydrophobicContact CD1-CD1 4.09Å; I197-L254 HydrophobicContact CD1-CD2 3.37Å; I197-L254 HydrophobicContact CD1-CG 4.37Å; S250-L254 PolarHBondContact O-N 2.89Å; F251-L254 PolarHBondContact O-N 3.35Å; L254-F256 VanDerWaalsContact C-N 3.34Å; L254-F256 PolarHBondContact O-N 3.27Å; L254-E257 PolarHBondContact O-N 3.33Å; L254-M258 HydrophobicContact CD2-SD 4.29Å; L254-M258 HydrophobicContact CG-CG 4.45Å; L254-M258 HydrophobicContact CG-SD 4Å; L254-M258 WeakPolarHBondContact O-CB 3.3Å; L254-M258 VanDerWaalsContact O-CG 3.25Å; L254-M258 WeakPolarHBondContact O-CG 3.34Å; L254-M258 PolarHBondContact O-N 3.19Å
255	M	94.5	Very high	91.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-56	-48.4	175.8	174.9	179.7	-178.7	0	0	111.4	L172 F251 G252 E257 M258 L259 A292 L295 L296 L299 F323	L172-M255 HydrophobicContact CD1-CB 3.57Å; L172-M255 HydrophobicContact CD1-CG 3.49Å; L172-M255 VanDerWaalsContact CD1-CG 3.49Å; L172-M255 HydrophobicContact CD1-SD 3.99Å; L172-M255 HydrophobicContact CD2-CB 4.23Å; F251-M255 WeakPolarHBondContact O-CB 3.32Å; F251-M255 PolarHBondContact O-N 2.88Å; G252-M255 PolarHBondContact O-N 3.07Å; M255-E257 VanDerWaalsContact C-N 3.32Å; M255-E257 PolarHBondContact O-N 3.17Å; M255-M258 PolarHBondContact O-N 3.13Å; M255-L259 HydrophobicContact CE-CD1 3.56Å; M255-L259 HydrophobicContact CG-CD1 3.69Å; M255-L259 HydrophobicContact CG-CG 4.43Å; M255-L259 WeakPolarHBondContact O-CB 3.22Å; M255-L259 VanDerWaalsContact O-CG 3.23Å; M255-L259 WeakPolarHBondContact O-CG 3.33Å; M255-L259 PolarHBondContact O-N 3.25Å; M255-A292 HydrophobicContact CE-CB 4.02Å; M255-L295 HydrophobicContact CE-CB 4.07Å; M255-L295 HydrophobicContact CE-CD2 3.83Å; M255-L295 HydrophobicContact CE-CG 4.16Å; M255-L295 HydrophobicContact SD-CB 4.29Å; M255-L295 HydrophobicContact SD-CD2 3.63Å; M255-L295 HydrophobicContact SD-CG 3.81Å; M255-L296 HydrophobicContact CB-CD2 4.08Å; M255-L296 HydrophobicContact CE-CD2 4.33Å; M255-L296 HydrophobicContact CE-CG 3.96Å; M255-L296 HydrophobicContact CG-CD2 3.73Å; M255-L296 HydrophobicContact CG-CG 4.35Å; M255-L296 HydrophobicContact SD-CD2 3.69Å; M255-L296 HydrophobicContact SD-CG 3.9Å; M255-L299 HydrophobicContact SD-CD1 4.25Å; M255-F323 HydrophobicContact CE-CD1 4.35Å; M255-F323 HydrophobicContact CE-CD2 4.25Å; M255-F323 HydrophobicContact CE-CE1 4.06Å; M255-F323 HydrophobicContact CE-CE2 3.99Å; M255-F323 HydrophobicContact CE-CG 4.43Å; M255-F323 HydrophobicContact CE-CZ 3.89Å
256	F	92.9	Very high	91.4	Very high	11 Å²	11	20.5 Å²	20.5	5%	0.048	13%	0.125	C	C	.	.	H	α-helix	trans	-61.1	-44.7	-179.9	-170.7	-81.4	0	0	0	111.1	G252 V253 L254 L259 T260 V262 P264 L282 P285 L296 F300	G252-F256 WeakPolarHBondContact O-CB 3.3Å; G252-F256 PolarHBondContact O-N 2.95Å; V253-F256 PolarHBondContact O-N 3.4Å; L254-F256 VanDerWaalsContact C-N 3.34Å; L254-F256 PolarHBondContact O-N 3.27Å; F256-L259 PolarHBondContact O-N 3.23Å; F256-T260 HydrophobicContact CD1-CG2 4.18Å; F256-T260 WeakPolarHBondContact CD1-OG1 3.38Å; F256-T260 HydrophobicContact CE1-CG2 3.97Å; F256-T260 WeakPolarHBondContact CE1-OG1 3.26Å; F256-T260 HydrophobicContact CE2-CG2 4.44Å; F256-T260 HydrophobicContact CG-CG2 4.5Å; F256-T260 HydrophobicContact CZ-CG2 4.11Å; F256-T260 WeakPolarHBondContact O-CB 3.42Å; F256-T260 VanDerWaalsContact O-CG2 3.3Å; F256-T260 WeakPolarHBondContact O-CG2 3.39Å; F256-T260 PolarHBondContact O-N 3.48Å; F256-T260 PolarHBondContact O-OG1 2.68Å; F256-V262 VanDerWaalsContact CD1-O 3.3Å; F256-V262 WeakPolarHBondContact CD1-O 3.43Å; F256-V262 HydrophobicContact CE1-CG2 4.19Å; F256-P264 HydrophobicContact CB-CB 4.34Å; F256-P264 HydrophobicContact CB-CG 4.33Å; F256-P264 HydrophobicContact CD1-CB 3.73Å; F256-P264 HydrophobicContact CD1-CG 4.22Å; F256-P264 HydrophobicContact CD2-CB 4.15Å; F256-P264 HydrophobicContact CE1-CB 4.01Å; F256-P264 HydrophobicContact CE2-CB 4.4Å; F256-P264 HydrophobicContact CG-CB 3.81Å; F256-P264 HydrophobicContact CG-CG 4.29Å; F256-P264 HydrophobicContact CZ-CB 4.34Å; F256-L282 HydrophobicContact CD2-CD1 4.04Å; F256-L282 HydrophobicContact CE2-CD1 3.83Å; F256-P285 HydrophobicContact CE2-CG 4.38Å; F256-P285 HydrophobicContact CZ-CG 4.31Å; F256-L296 HydrophobicContact CB-CD2 3.96Å; F256-L296 HydrophobicContact CD2-CD1 4.07Å; F256-L296 HydrophobicContact CD2-CD2 4.32Å; F256-F300 HydrophobicContact CB-CE2 4.21Å; F256-F300 HydrophobicContact CB-CZ 4.29Å; F256-F300 HydrophobicContact CD2-CE2 4.3Å
257	E	89	Confident	91.3	Very high	31 Å²	31	21.1 Å²	21.1	15%	0.145	13%	0.132	C	C	.	.	H	α-helix	trans	-64.9	-43.2	179.2	-166.8	-173	-174.7	0	0	112.1	F154 P194 Y231 V253 L254 M255 L259 T260 G261 V262 L263	F154-E257 HydrophobicContact CE1-CB 4.43Å; F154-E257 VanDerWaalsContact CE1-CD 3.41Å; F154-E257 HydrophobicContact CE1-CG 3.71Å; F154-E257 HydrophobicContact CZ-CB 4.19Å; F154-E257 HydrophobicContact CZ-CG 3.96Å; P194-E257 WeakPolarHBondContact CG-OE2 3.24Å; Y231-E257 VanDerWaalsContact OH-CD 3.27Å; Y231-E257 PolarHBondContact OH-OE1 2.95Å; Y231-E257 PolarHBondContact OH-OE2 3.39Å; V253-E257 WeakPolarHBondContact O-CB 3.28Å; V253-E257 PolarHBondContact O-N 2.77Å; L254-E257 PolarHBondContact O-N 3.33Å; M255-E257 VanDerWaalsContact C-N 3.32Å; M255-E257 PolarHBondContact O-N 3.17Å; E257-L259 VanDerWaalsContact C-N 3.31Å; E257-L259 PolarHBondContact O-N 3.37Å; E257-T260 PolarHBondContact O-N 3.3Å; E257-G261 VanDerWaalsContact O-CA 3.26Å; E257-G261 WeakPolarHBondContact O-CA 3.43Å; E257-G261 PolarHBondContact O-N 2.64Å; E257-V262 WeakPolarHBondContact CA-O 3.48Å; E257-L263 HydrophobicContact CG-CD2 4.37Å
258	M	87.2	Confident	91	Very high	11 Å²	11	29.7 Å²	29.7	5%	0.054	17%	0.172	C	C	.	.	H	α-helix	trans	-62.8	-37.7	176.2	-69.8	174.3	75.3	0	0	112.4	L153 F154 F163 V168 Y171 L172 L254 M255	L153-M258 HydrophobicContact CD2-CE 4.18Å; F154-M258 HydrophobicContact CE2-CG 3.59Å; F154-M258 HydrophobicContact CE2-SD 4.35Å; F154-M258 HydrophobicContact CZ-CG 3.52Å; F163-M258 HydrophobicContact CD1-CE 4.32Å; F163-M258 HydrophobicContact CD2-CB 4.13Å; F163-M258 HydrophobicContact CD2-CE 4.35Å; F163-M258 HydrophobicContact CE1-CE 3.67Å; F163-M258 HydrophobicContact CE2-CB 4.15Å; F163-M258 HydrophobicContact CE2-CE 3.74Å; F163-M258 HydrophobicContact CE2-CG 4.02Å; F163-M258 HydrophobicContact CZ-CE 3.31Å; F163-M258 HydrophobicContact CZ-CG 4.5Å; V168-M258 HydrophobicContact CB-CE 4.4Å; V168-M258 HydrophobicContact CG1-CB 3.97Å; V168-M258 HydrophobicContact CG1-CE 4.13Å; V168-M258 HydrophobicContact CG1-SD 4.24Å; V168-M258 HydrophobicContact CG2-CB 3.84Å; V168-M258 HydrophobicContact CG2-CE 4.32Å; Y171-M258 HydrophobicContact CD2-CE 4.23Å; L172-M258 HydrophobicContact CD2-SD 4.27Å; L254-M258 HydrophobicContact CD2-SD 4.29Å; L254-M258 HydrophobicContact CG-CG 4.45Å; L254-M258 HydrophobicContact CG-SD 4Å; L254-M258 WeakPolarHBondContact O-CB 3.3Å; L254-M258 VanDerWaalsContact O-CG 3.25Å; L254-M258 WeakPolarHBondContact O-CG 3.34Å; L254-M258 PolarHBondContact O-N 3.19Å; M255-M258 PolarHBondContact O-N 3.13Å
259	L	87.5	Confident	90.6	Very high	19 Å²	19	33 Å²	33	10%	0.099	19%	0.19	C	C	.	.	H	α-helix	trans	-79.7	-23.9	-178.4	-71.6	172.6	0	0	0	114	E165 V168 M255 F256 E257 L288 A292 L296	E165-L259 HydrophobicContact CB-CD2 4.39Å; E165-L259 HydrophobicContact CG-CD2 3.89Å; V168-L259 HydrophobicContact CB-CD2 3.96Å; V168-L259 HydrophobicContact CB-CG 4.48Å; V168-L259 HydrophobicContact CG1-CD2 4.09Å; V168-L259 HydrophobicContact CG1-CG 4.1Å; V168-L259 HydrophobicContact CG2-CD2 3.69Å; V168-L259 HydrophobicContact CG2-CG 4.2Å; M255-L259 HydrophobicContact CE-CD1 3.56Å; M255-L259 HydrophobicContact CG-CD1 3.69Å; M255-L259 HydrophobicContact CG-CG 4.43Å; M255-L259 WeakPolarHBondContact O-CB 3.22Å; M255-L259 VanDerWaalsContact O-CG 3.23Å; M255-L259 WeakPolarHBondContact O-CG 3.33Å; M255-L259 PolarHBondContact O-N 3.25Å; F256-L259 PolarHBondContact O-N 3.23Å; E257-L259 VanDerWaalsContact C-N 3.31Å; E257-L259 PolarHBondContact O-N 3.37Å; L259-L288 HydrophobicContact CB-CD2 3.84Å; L259-L288 HydrophobicContact CD1-CD1 4.37Å; L259-L288 HydrophobicContact CD1-CD2 4.27Å; L259-L288 HydrophobicContact CD2-CD2 4.37Å; L259-L288 HydrophobicContact CG-CD2 4.4Å; L259-A292 HydrophobicContact CD1-CB 4.23Å; L259-L296 HydrophobicContact CD1-CD1 4.32Å
260	T	83.8	Confident	90.2	Very high	32 Å²	32	41.1 Å²	41.1	20%	0.196	22%	0.221	C	C	.	.	H	α-helix	trans	-123.2	-16.7	-169.7	69.2	0	0	0	0	114.3	F256 E257 V262 P285 F287 L288	F256-T260 HydrophobicContact CD1-CG2 4.18Å; F256-T260 WeakPolarHBondContact CD1-OG1 3.38Å; F256-T260 HydrophobicContact CE1-CG2 3.97Å; F256-T260 WeakPolarHBondContact CE1-OG1 3.26Å; F256-T260 HydrophobicContact CE2-CG2 4.44Å; F256-T260 HydrophobicContact CG-CG2 4.5Å; F256-T260 HydrophobicContact CZ-CG2 4.11Å; F256-T260 WeakPolarHBondContact O-CB 3.42Å; F256-T260 VanDerWaalsContact O-CG2 3.3Å; F256-T260 WeakPolarHBondContact O-CG2 3.39Å; F256-T260 PolarHBondContact O-N 3.48Å; F256-T260 PolarHBondContact O-OG1 2.68Å; E257-T260 PolarHBondContact O-N 3.3Å; T260-V262 PolarHBondContact O-N 3.03Å; T260-V262 WeakPolarHBondContact OG1-CG2 3.25Å; T260-V262 PolarHBondContact OG1-N 3.07Å; T260-V262 PolarHBondContact OG1-O 2.94Å; T260-V262 VanDerWaalsContact OG1-O 3.07Å; T260-P285 HydrophobicContact CG2-CG 3.66Å; T260-F287 HydrophobicContact CG2-CZ 4.14Å; T260-L288 HydrophobicContact CG2-CD1 4.47Å
261	G	80.5	Confident	89.9	Confident	65 Å²	65	48.6 Å²	48.6	67%	0.67	25%	0.252	S	S	*	.	S	Bend	trans	73.2	4.8	-172.7	0	0	0	0	0	114.6	E257	E257-G261 VanDerWaalsContact O-CA 3.26Å; E257-G261 WeakPolarHBondContact O-CA 3.43Å; E257-G261 PolarHBondContact O-N 2.64Å
262	V	84.3	Confident	89.7	Confident	88 Å²	88	52.1 Å²	52.1	53%	0.533	27%	0.269	S	S	.	.	S	Bend	trans	-134.6	155.2	-179.9	-61.5	0	0	0	0	111.3	F256 E257 T260	F256-V262 VanDerWaalsContact CD1-O 3.3Å; F256-V262 WeakPolarHBondContact CD1-O 3.43Å; F256-V262 HydrophobicContact CE1-CG2 4.19Å; E257-V262 WeakPolarHBondContact CA-O 3.48Å; T260-V262 PolarHBondContact O-N 3.03Å; T260-V262 WeakPolarHBondContact OG1-CG2 3.25Å; T260-V262 PolarHBondContact OG1-N 3.07Å; T260-V262 PolarHBondContact OG1-O 2.94Å; T260-V262 VanDerWaalsContact OG1-O 3.07Å
263	L	89.9	Confident	89.5	Confident	28 Å²	28	52.2 Å²	52.2	15%	0.147	27%	0.269	C	S	.	.			trans	-74.4	145.2	175.5	-72	163.8	0	0	0	111.3	E230 Y231 V253 E257 F265 Q266	E230-L263 HydrophobicContact CB-CD1 3.87Å; E230-L263 HydrophobicContact CB-CD2 4.33Å; E230-L263 HydrophobicContact CG-CD1 3.73Å; Y231-L263 HydrophobicContact CE1-CD2 4.32Å; Y231-L263 HydrophobicContact CE2-CD2 4.32Å; V253-L263 HydrophobicContact CG1-CD2 3.77Å; E257-L263 HydrophobicContact CG-CD2 4.37Å; L263-F265 VanDerWaalsContact C-N 3.31Å; L263-F265 PolarHBondContact O-N 3.23Å; L263-Q266 HydrophobicContact CB-CB 4.3Å; L263-Q266 HydrophobicContact CD1-CG 4.48Å
264	P	93.4	Very high	89.4	Confident	16 Å²	16	54.2 Å²	54.2	10%	0.104	28%	0.279	C	S	.	.	S	Bend	trans	-68.5	-28.7	179.3	27.7	-35.5	0	0	0	113.4	V253 F256 L282 F300	V253-P264 HydrophobicContact CB-CG 4.38Å; V253-P264 HydrophobicContact CG1-CG 4.07Å; V253-P264 HydrophobicContact CG2-CG 4.15Å; F256-P264 HydrophobicContact CB-CB 4.34Å; F256-P264 HydrophobicContact CB-CG 4.33Å; F256-P264 HydrophobicContact CD1-CB 3.73Å; F256-P264 HydrophobicContact CD1-CG 4.22Å; F256-P264 HydrophobicContact CD2-CB 4.15Å; F256-P264 HydrophobicContact CE1-CB 4.01Å; F256-P264 HydrophobicContact CE2-CB 4.4Å; F256-P264 HydrophobicContact CG-CB 3.81Å; F256-P264 HydrophobicContact CG-CG 4.29Å; F256-P264 HydrophobicContact CZ-CB 4.34Å; P264-L282 HydrophobicContact CB-CD1 3.86Å; P264-F300 HydrophobicContact CB-CE2 4.36Å; P264-F300 HydrophobicContact CB-CZ 4.03Å; P264-F300 HydrophobicContact CG-CE1 4.26Å; P264-F300 HydrophobicContact CG-CZ 3.75Å
265	F	94.9	Very high	89.4	Confident	3 Å²	3	57.3 Å²	57.3	1%	0.013	30%	0.298	C	S	.	.	S	Bend	trans	-139.8	110.5	-179.1	-53.1	-67.3	0	0	0	109.6	W249 L263 Q276 I277 A280 L282 F300	W249-F265 AromaticContact CH2-CE2 3.95Å; W249-F265 HydrophobicContact CH2-CE2 3.95Å; W249-F265 HydrophobicContact CZ2-CD2 4.04Å; W249-F265 AromaticContact CZ2-CE2 3.68Å; W249-F265 HydrophobicContact CZ2-CE2 3.68Å; L263-F265 VanDerWaalsContact C-N 3.31Å; L263-F265 PolarHBondContact O-N 3.23Å; F265-Q276 HydrophobicContact CB-CB 4.05Å; F265-Q276 HydrophobicContact CD1-CB 4.41Å; F265-I277 HydrophobicContact CB-CG1 3.89Å; F265-I277 HydrophobicContact CD2-CG1 4.4Å; F265-I277 HydrophobicContact CG-CG1 4.38Å; F265-A280 HydrophobicContact CD1-CB 3.95Å; F265-A280 HydrophobicContact CE1-CB 4.08Å; F265-L282 HydrophobicContact CZ-CB 4.36Å; F265-L282 HydrophobicContact CZ-CD1 4.2Å; F265-F300 HydrophobicContact CE2-CD1 4.11Å; F265-F300 HydrophobicContact CE2-CE1 4.18Å
266	Q	89.5	Confident	89.4	Confident	113 Å²	113	60.3 Å²	60.3	53%	0.528	31%	0.312	S	S	.	.			trans	-149.7	123.4	179.7	-167.5	176	25.4	0	0	110.6	L263 Q276	L263-Q266 HydrophobicContact CB-CB 4.3Å; L263-Q266 HydrophobicContact CD1-CG 4.48Å; Q266-Q276 VanDerWaalsContact C-NE2 3.34Å; Q266-Q276 PolarHBondContact O-NE2 3.28Å; Q266-Q276 PolarHBondContact O-OE1 3.38Å
267	G	88.3	Confident	89.5	Confident	17 Å²	17	59.8 Å²	59.8	18%	0.175	31%	0.31	C	S	.	.			trans	-103.8	177	174.6	0	0	0	0	0	112.5	N269 T273	G267-N269 PolarHBondContact O-N 3.5Å; G267-T273 PolarHBondContact N-OG1 2.89Å
268	Q	87.9	Confident	89.7	Confident	181 Å²	181	60.6 Å²	60.6	85%	0.846	32%	0.315	S	S	*	.	S	Bend	trans	-68.6	-21.4	177.5	-60.5	-175.8	-0.6	0	0	112.4	E272	Q268-E272 WeakPolarHBondContact CB-OE2 3.45Å; Q268-E272 PolarHBondContact N-OE2 3.46Å
269	N	88.1	Confident	90	Very high	71 Å²	71	68 Å²	68	38%	0.38	35%	0.347	S	S	.	.	S	Bend	trans	-146.4	168.1	179.2	59.7	66.2	0	0	0	110.6	G267 K271 E272 T273	G267-N269 PolarHBondContact O-N 3.5Å; N269-K271 VanDerWaalsContact C-N 3.27Å; N269-K271 PolarHBondContact O-N 2.77Å; N269-K271 WeakPolarHBondContact OD1-CB 3.42Å; N269-K271 PolarHBondContact OD1-N 3.4Å; N269-K271 VanDerWaalsContact OD1-N 3.14Å; N269-E272 VanDerWaalsContact ND2-CD 3.32Å; N269-E272 PolarHBondContact ND2-OE1 2.97Å; N269-E272 PolarHBondContact O-N 3.27Å; N269-E272 VanDerWaalsContact O-N 3.13Å; N269-E272 PolarHBondContact OD1-N 2.96Å; N269-T273 PolarHBondContact O-N 3.41Å; N269-T273 PolarHBondContact O-OG1 3Å
270	R	86	Confident	90.2	Very high	170 Å²	170	68.4 Å²	68.4	64%	0.642	35%	0.353	S	S	*	.	H	α-helix	trans	-53.3	-40.4	-178.1	-171	-176.7	-63.2	179.3	1.9	113.7	V229 T273 M274	V229-R270 HydrophobicContact CB-CG 4.4Å; V229-R270 HydrophobicContact CG1-CG 4.18Å; V229-R270 HydrophobicContact CG2-CG 3.89Å; R270-T273 PolarHBondContact O-N 2.87Å; R270-M274 HydrophobicContact CG-CE 3.7Å; R270-M274 HydrophobicContact CG-SD 4.26Å; R270-M274 WeakPolarHBondContact O-CB 3.4Å; R270-M274 VanDerWaalsContact O-CG 3.23Å; R270-M274 WeakPolarHBondContact O-CG 3.23Å; R270-M274 PolarHBondContact O-N 3.41Å
271	K	89.4	Confident	90.7	Very high	164 Å²	164	76.2 Å²	76.2	71%	0.713	38%	0.384	S	S	*	.	H	α-helix	trans	-68.5	-39.5	-177.5	-175.9	-178.2	177.7	-177.1	0	111.1	N269 T275	N269-K271 VanDerWaalsContact C-N 3.27Å; N269-K271 PolarHBondContact O-N 2.77Å; N269-K271 WeakPolarHBondContact OD1-CB 3.42Å; N269-K271 PolarHBondContact OD1-N 3.4Å; N269-K271 VanDerWaalsContact OD1-N 3.14Å; K271-T275 WeakPolarHBondContact O-CB 3.34Å; K271-T275 PolarHBondContact O-N 3.46Å; K271-T275 PolarHBondContact O-OG1 3.07Å
272	E	92.4	Very high	91.3	Very high	73 Å²	73	75.1 Å²	75.1	34%	0.341	36%	0.363	S	S	.	.	H	α-helix	trans	-67.4	-44.7	173.6	-74.2	171.9	-152	0	0	111.8	Q268 N269 M274 T275 Q276	Q268-E272 WeakPolarHBondContact CB-OE2 3.45Å; Q268-E272 PolarHBondContact N-OE2 3.46Å; N269-E272 VanDerWaalsContact ND2-CD 3.32Å; N269-E272 PolarHBondContact ND2-OE1 2.97Å; N269-E272 PolarHBondContact O-N 3.27Å; N269-E272 VanDerWaalsContact O-N 3.13Å; N269-E272 PolarHBondContact OD1-N 2.96Å; E272-M274 VanDerWaalsContact C-N 3.33Å; E272-M274 PolarHBondContact O-N 3.36Å; E272-T275 CarbonylContact O-C 3.58Å; E272-T275 WeakPolarHBondContact O-CA 3.44Å; E272-T275 WeakPolarHBondContact O-CB 3.21Å; E272-T275 PolarHBondContact O-N 3.42Å; E272-Q276 WeakPolarHBondContact O-CG 3.08Å; E272-Q276 PolarHBondContact O-N 3.29Å
273	T	92.5	Very high	91.6	Very high	2 Å²	2	73.5 Å²	73.5	1%	0.012	36%	0.364	C	S	.	.	H	α-helix	trans	-56.2	-47.8	174.6	-58.1	0	0	0	0	111	V229 E230 G267 N269 R270 T275 Q276 I277	V229-T273 HydrophobicContact CG1-CG2 4.05Å; E230-T273 HydrophobicContact CG-CG2 4.1Å; G267-T273 PolarHBondContact N-OG1 2.89Å; N269-T273 PolarHBondContact O-N 3.41Å; N269-T273 PolarHBondContact O-OG1 3Å; R270-T273 PolarHBondContact O-N 2.87Å; T273-T275 VanDerWaalsContact C-N 3.31Å; T273-T275 PolarHBondContact O-N 2.82Å; T273-Q276 PolarHBondContact O-N 3.33Å; T273-I277 HydrophobicContact CG2-CD1 4.03Å; T273-I277 WeakPolarHBondContact O-CG1 3.42Å; T273-I277 PolarHBondContact O-N 2.81Å
274	M	92.3	Very high	91.8	Very high	42 Å²	42	74.3 Å²	74.3	21%	0.207	37%	0.367	C	S	.	.	H	α-helix	trans	-57.9	-42.8	174	-72.1	170.6	174.4	0	0	112.2	F225 V229 V237 R270 E272 Q276 I277 L278	F225-M274 HydrophobicContact CE1-CE 4.48Å; F225-M274 HydrophobicContact CE2-CE 3.88Å; F225-M274 HydrophobicContact CZ-CE 3.41Å; F225-M274 VanDerWaalsContact CZ-CE 3.41Å; V229-M274 HydrophobicContact CG1-CE 4Å; V229-M274 HydrophobicContact CG1-CG 3.66Å; V229-M274 HydrophobicContact CG2-CE 3.95Å; V237-M274 HydrophobicContact CG1-CB 3.99Å; V237-M274 HydrophobicContact CG1-CG 3.98Å; R270-M274 HydrophobicContact CG-CE 3.7Å; R270-M274 HydrophobicContact CG-SD 4.26Å; R270-M274 WeakPolarHBondContact O-CB 3.4Å; R270-M274 VanDerWaalsContact O-CG 3.23Å; R270-M274 WeakPolarHBondContact O-CG 3.23Å; R270-M274 PolarHBondContact O-N 3.41Å; E272-M274 VanDerWaalsContact C-N 3.33Å; E272-M274 PolarHBondContact O-N 3.36Å; M274-Q276 VanDerWaalsContact C-N 3.33Å; M274-Q276 PolarHBondContact O-N 3.42Å; M274-I277 PolarHBondContact O-N 3.42Å; M274-L278 WeakPolarHBondContact O-CB 3.3Å; M274-L278 VanDerWaalsContact O-CG 3.25Å; M274-L278 WeakPolarHBondContact O-CG 3.35Å; M274-L278 PolarHBondContact O-N 3.09Å
275	T	94.2	Very high	91.6	Very high	67 Å²	67	74.7 Å²	74.7	41%	0.411	37%	0.37	S	S	.	.	H	α-helix	trans	-63.9	-40.3	178.4	-58.4	0	0	0	0	111.3	K271 E272 T273 L278 K279	K271-T275 WeakPolarHBondContact O-CB 3.34Å; K271-T275 PolarHBondContact O-N 3.46Å; K271-T275 PolarHBondContact O-OG1 3.07Å; E272-T275 CarbonylContact O-C 3.58Å; E272-T275 WeakPolarHBondContact O-CA 3.44Å; E272-T275 WeakPolarHBondContact O-CB 3.21Å; E272-T275 PolarHBondContact O-N 3.42Å; T273-T275 VanDerWaalsContact C-N 3.31Å; T273-T275 PolarHBondContact O-N 2.82Å; T275-L278 PolarHBondContact O-N 3.1Å; T275-K279 HydrophobicContact CG2-CD 4.36Å; T275-K279 WeakPolarHBondContact O-CB 3.2Å; T275-K279 PolarHBondContact O-N 3.19Å
276	Q	94.5	Very high	91.3	Very high	63 Å²	63	83.7 Å²	83.7	29%	0.294	41%	0.412	S	S	.	.	H	α-helix	trans	-65.5	-46.8	176.2	-70.4	-171.3	26.9	0	0	111.8	F265 Q266 E272 T273 M274 L278 K279 A280 R302	F265-Q276 HydrophobicContact CB-CB 4.05Å; F265-Q276 HydrophobicContact CD1-CB 4.41Å; Q266-Q276 VanDerWaalsContact C-NE2 3.34Å; Q266-Q276 PolarHBondContact O-NE2 3.28Å; Q266-Q276 PolarHBondContact O-OE1 3.38Å; E272-Q276 WeakPolarHBondContact O-CG 3.08Å; E272-Q276 PolarHBondContact O-N 3.29Å; T273-Q276 PolarHBondContact O-N 3.33Å; M274-Q276 VanDerWaalsContact C-N 3.33Å; M274-Q276 PolarHBondContact O-N 3.42Å; Q276-L278 PolarHBondContact O-N 2.87Å; Q276-K279 PolarHBondContact O-N 2.95Å; Q276-A280 HydrophobicContact CB-CB 3.94Å; Q276-A280 HydrophobicContact CG-CB 4.3Å; Q276-A280 WeakPolarHBondContact O-CB 3.4Å; Q276-A280 PolarHBondContact O-N 3.35Å; Q276-R302 PolarHBondContact O-NH2 3.02Å
277	I	93.8	Very high	91.2	Very high	0 Å²	0	83.8 Å²	83.8	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-53.7	-45.5	174.8	-69.3	164.2	0	0	0	110.3	V229 P234 V237 W249 F265 T273 M274 R302	V229-I277 HydrophobicContact CG1-CD1 4.33Å; V229-I277 WeakPolarHBondContact O-CD1 3.15Å; P234-I277 HydrophobicContact CG-CG2 4.11Å; V237-I277 HydrophobicContact CG2-CD1 4.49Å; V237-I277 HydrophobicContact CG2-CG2 4.09Å; W249-I277 HydrophobicContact CZ2-CG2 4.02Å; F265-I277 HydrophobicContact CB-CG1 3.89Å; F265-I277 HydrophobicContact CD2-CG1 4.4Å; F265-I277 HydrophobicContact CG-CG1 4.38Å; T273-I277 HydrophobicContact CG2-CD1 4.03Å; T273-I277 WeakPolarHBondContact O-CG1 3.42Å; T273-I277 PolarHBondContact O-N 2.81Å; M274-I277 PolarHBondContact O-N 3.42Å; I277-R302 PolarHBondContact O-NE 3.48Å; I277-R302 PolarHBondContact O-NH2 2.55Å
278	L	93.4	Very high	91.3	Very high	47 Å²	47	83.3 Å²	83.3	25%	0.246	40%	0.404	C	S	.	.	H	α-helix	trans	-71.8	-36.3	-178.6	-67.7	178.8	0	0	0	113.9	P234 V237 N238 M274 T275 Q276 R302	P234-L278 HydrophobicContact CB-CD2 4.01Å; V237-L278 HydrophobicContact CB-CD2 4.24Å; V237-L278 HydrophobicContact CG1-CD1 4Å; V237-L278 HydrophobicContact CG1-CD2 4.16Å; V237-L278 HydrophobicContact CG1-CG 4.03Å; N238-L278 VanDerWaalsContact ND2-CD2 3.3Å; N238-L278 WeakPolarHBondContact ND2-CD2 3.41Å; M274-L278 WeakPolarHBondContact O-CB 3.3Å; M274-L278 VanDerWaalsContact O-CG 3.25Å; M274-L278 WeakPolarHBondContact O-CG 3.35Å; M274-L278 PolarHBondContact O-N 3.09Å; T275-L278 PolarHBondContact O-N 3.1Å; Q276-L278 PolarHBondContact O-N 2.87Å; L278-R302 PolarHBondContact O-NE 3.35Å
279	K	93.2	Very high	91.6	Very high	166 Å²	166	75.9 Å²	75.9	72%	0.722	37%	0.373	S	S	*	.	H	α-helix	trans	-128.3	-24.5	-164.7	-58.5	-175.1	-179.3	-178.9	0	116.3	T275 Q276	T275-K279 HydrophobicContact CG2-CD 4.36Å; T275-K279 WeakPolarHBondContact O-CB 3.2Å; T275-K279 PolarHBondContact O-N 3.19Å; Q276-K279 PolarHBondContact O-N 2.95Å
280	A	93.1	Very high	92	Very high	28 Å²	28	76.8 Å²	76.8	23%	0.231	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-69.9	145.9	-172.8	0	0	0	0	0	112.6	F265 Q276 R302	F265-A280 HydrophobicContact CD1-CB 3.95Å; F265-A280 HydrophobicContact CE1-CB 4.08Å; Q276-A280 HydrophobicContact CB-CB 3.94Å; Q276-A280 HydrophobicContact CG-CB 4.3Å; Q276-A280 WeakPolarHBondContact O-CB 3.4Å; Q276-A280 PolarHBondContact O-N 3.35Å; A280-R302 VanDerWaalsContact O-CZ 3.25Å; A280-R302 PolarHBondContact O-NH1 2.87Å; A280-R302 PolarHBondContact O-NH2 3.33Å
281	K	92.6	Very high	92.6	Very high	197 Å²	197	72.8 Å²	72.8	86%	0.857	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-75.6	139.5	170	-66.8	-176.3	179.5	179.7	0	108.9	G283	K281-G283 PolarHBondContact O-N 3.39Å
282	L	93.1	Very high	92.9	Very high	41 Å²	41	65 Å²	65	22%	0.215	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-66.7	118.6	172.7	179.3	69.8	0	0	0	109	F256 P264 F265 M284 F300	F256-L282 HydrophobicContact CD2-CD1 4.04Å; F256-L282 HydrophobicContact CE2-CD1 3.83Å; P264-L282 HydrophobicContact CB-CD1 3.86Å; F265-L282 HydrophobicContact CZ-CB 4.36Å; F265-L282 HydrophobicContact CZ-CD1 4.2Å; L282-M284 HydrophobicContact CD2-CE 3.62Å; L282-M284 HydrophobicContact CG-CE 4.47Å; L282-M284 PolarHBondContact O-N 2.72Å; L282-F300 HydrophobicContact CD1-CD2 3.79Å; L282-F300 HydrophobicContact CD1-CE2 3.82Å; L282-F300 HydrophobicContact CD2-CB 4.28Å; L282-F300 HydrophobicContact CD2-CD2 3.49Å; L282-F300 VanDerWaalsContact CD2-CD2 3.49Å; L282-F300 HydrophobicContact CD2-CE2 4.2Å; L282-F300 HydrophobicContact CD2-CG 4.25Å; L282-F300 HydrophobicContact CG-CD2 4.25Å
283	G	91.7	Very high	93.1	Very high	54 Å²	54	63.2 Å²	63.2	56%	0.557	33%	0.329	S	S	*	.			trans	-76.5	107.4	170.1	0	0	0	0	0	109.4	K281 P285	K281-G283 PolarHBondContact O-N 3.39Å; G283-P285 WeakPolarHBondContact O-CD 3.4Å
284	M	93.8	Very high	93.3	Very high	45 Å²	45	65.5 Å²	65.5	22%	0.222	35%	0.345	C	S	.	.			trans	-87.3	118.1	-179.3	-169.1	61.1	71.3	0	0	110.6	L282 L288 Q293 L296 R297	L282-M284 HydrophobicContact CD2-CE 3.62Å; L282-M284 HydrophobicContact CG-CE 4.47Å; L282-M284 PolarHBondContact O-N 2.72Å; M284-L288 HydrophobicContact SD-CD1 4.29Å; M284-Q293 HydrophobicContact CE-CB 4.2Å; M284-Q293 WeakPolarHBondContact CE-O 3.18Å; M284-Q293 HydrophobicContact CG-CB 3.99Å; M284-Q293 HydrophobicContact CG-CG 3.62Å; M284-Q293 HydrophobicContact SD-CB 3.83Å; M284-Q293 HydrophobicContact SD-CG 3.69Å; M284-L296 HydrophobicContact CE-CB 3.79Å; M284-L296 HydrophobicContact CE-CD1 4.34Å; M284-L296 HydrophobicContact SD-CD1 3.98Å; M284-R297 HydrophobicContact CE-CG 3.86Å
285	P	88.4	Confident	93.6	Very high	25 Å²	25	63.5 Å²	63.5	16%	0.162	34%	0.335	C	S	.	.			trans	-68.8	133.4	176.1	-10.9	24.1	0	0	0	111.4	F256 T260 G283 F287 L288	F256-P285 HydrophobicContact CE2-CG 4.38Å; F256-P285 HydrophobicContact CZ-CG 4.31Å; T260-P285 HydrophobicContact CG2-CG 3.66Å; G283-P285 WeakPolarHBondContact O-CD 3.4Å; P285-F287 VanDerWaalsContact C-N 3.26Å; P285-F287 HydrophobicContact CB-CD1 3.64Å; P285-F287 HydrophobicContact CB-CE1 3.25Å; P285-F287 HydrophobicContact CB-CE2 4.37Å; P285-F287 HydrophobicContact CB-CG 4.35Å; P285-F287 HydrophobicContact CB-CZ 3.67Å; P285-F287 HydrophobicContact CG-CE1 4.15Å; P285-F287 HydrophobicContact CG-CZ 4.18Å; P285-F287 PolarHBondContact O-N 3.15Å; P285-L288 HydrophobicContact CB-CD1 4.38Å; P285-L288 HydrophobicContact CB-CG 4.19Å; P285-L288 HydrophobicContact CG-CD1 3.97Å; P285-L288 HydrophobicContact CG-CG 4.29Å; P285-L288 PolarHBondContact O-N 3.17Å
286	Q	89.2	Confident	93.7	Very high	191 Å²	191	60.3 Å²	60.3	89%	0.893	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-16.2	-176.8	-64.8	-177.1	3.5	0	0	113.7	L288	Q286-L288 VanDerWaalsContact C-N 3.32Å
287	F	87.2	Confident	93.8	Very high	116 Å²	116	62.8 Å²	62.8	51%	0.509	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-15.3	179.2	64.4	-101.9	0	0	0	113.4	T260 P285	T260-F287 HydrophobicContact CG2-CZ 4.14Å; P285-F287 VanDerWaalsContact C-N 3.26Å; P285-F287 HydrophobicContact CB-CD1 3.64Å; P285-F287 HydrophobicContact CB-CE1 3.25Å; P285-F287 HydrophobicContact CB-CE2 4.37Å; P285-F287 HydrophobicContact CB-CG 4.35Å; P285-F287 HydrophobicContact CB-CZ 3.67Å; P285-F287 HydrophobicContact CG-CE1 4.15Å; P285-F287 HydrophobicContact CG-CZ 4.18Å; P285-F287 PolarHBondContact O-N 3.15Å
288	L	90.6	Very high	94	Very high	6 Å²	6	63.9 Å²	63.9	3%	0.031	33%	0.331	C	S	.	.	S	Bend	trans	-74.1	145.6	176.8	-61.1	-177.8	0	0	0	110.8	E165 L259 T260 M284 P285 Q286 A292 Q293 L296	E165-L288 WeakPolarHBondContact OE1-CA 3.42Å; L259-L288 HydrophobicContact CB-CD2 3.84Å; L259-L288 HydrophobicContact CD1-CD1 4.37Å; L259-L288 HydrophobicContact CD1-CD2 4.27Å; L259-L288 HydrophobicContact CD2-CD2 4.37Å; L259-L288 HydrophobicContact CG-CD2 4.4Å; T260-L288 HydrophobicContact CG2-CD1 4.47Å; M284-L288 HydrophobicContact SD-CD1 4.29Å; P285-L288 HydrophobicContact CB-CD1 4.38Å; P285-L288 HydrophobicContact CB-CG 4.19Å; P285-L288 HydrophobicContact CG-CD1 3.97Å; P285-L288 HydrophobicContact CG-CG 4.29Å; P285-L288 PolarHBondContact O-N 3.17Å; Q286-L288 VanDerWaalsContact C-N 3.32Å; L288-A292 HydrophobicContact CB-CB 4.28Å; L288-Q293 HydrophobicContact CB-CG 3.81Å; L288-Q293 PolarHBondContact O-NE2 2.69Å; L288-L296 HydrophobicContact CD1-CD1 3.76Å
289	S	95	Very high	94.1	Very high	26 Å²	26	61.6 Å²	61.6	18%	0.182	32%	0.319	C	S	.	.			trans	-57.4	150.4	175.1	66.6	0	0	0	0	112.2	E165 E291 A292 Q293	E165-S289 PolarHBondContact OE1-N 2.98Å; E165-S289 WeakPolarHBondContact OE2-CB 3.42Å; E165-S289 PolarHBondContact OE2-OG 2.95Å; S289-E291 WeakPolarHBondContact CB-OE2 3.44Å; S289-E291 PolarHBondContact O-N 2.97Å; S289-E291 VanDerWaalsContact O-N 3.14Å; S289-A292 PolarHBondContact O-N 3.25Å; S289-A292 VanDerWaalsContact O-N 3.13Å; S289-A292 VanDerWaalsContact OG-CB 3.29Å; S289-A292 WeakPolarHBondContact OG-CB 3.2Å; S289-A292 PolarHBondContact OG-N 3.43Å; S289-Q293 VanDerWaalsContact O-CG 3.31Å; S289-Q293 WeakPolarHBondContact O-CG 3.37Å; S289-Q293 PolarHBondContact O-N 3.44Å
290	P	96.6	Very high	94.3	Very high	90 Å²	90	54.5 Å²	54.5	58%	0.584	29%	0.288	S	S	*	.	H	α-helix	trans	-50.9	-36.5	173.6	-27.3	35.5	0	0	0	113.1	S294	P290-S294 VanDerWaalsContact O-CB 3.28Å; P290-S294 WeakPolarHBondContact O-CB 3.35Å; P290-S294 PolarHBondContact O-N 3.25Å
291	E	96.7	Very high	94.4	Very high	85 Å²	85	57.8 Å²	57.8	40%	0.397	30%	0.297	S	S	.	.	H	α-helix	trans	-66.8	-49.4	178	-63.3	73.1	-161.8	0	0	111.4	S289 Q293 S294 L295 H321 P322 F323	S289-E291 WeakPolarHBondContact CB-OE2 3.44Å; S289-E291 PolarHBondContact O-N 2.97Å; S289-E291 VanDerWaalsContact O-N 3.14Å; E291-Q293 VanDerWaalsContact C-N 3.34Å; E291-Q293 PolarHBondContact O-N 3.39Å; E291-S294 WeakPolarHBondContact O-CB 3.28Å; E291-S294 PolarHBondContact O-N 3.33Å; E291-L295 PolarHBondContact O-N 2.82Å; E291-H321 PolarHBondContact O-CE1 3.29Å; E291-P322 HydrophobicContact CG-CB 4.05Å; E291-F323 HydrophobicContact CB-CB 4.27Å; E291-F323 HydrophobicContact CB-CD2 4.4Å
292	A	96.3	Very high	94.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-45.4	176.6	0	0	0	0	0	111.2	M255 L259 L288 S289 S294 L295 L296 F323	M255-A292 HydrophobicContact CE-CB 4.02Å; L259-A292 HydrophobicContact CD1-CB 4.23Å; L288-A292 HydrophobicContact CB-CB 4.28Å; S289-A292 PolarHBondContact O-N 3.25Å; S289-A292 VanDerWaalsContact O-N 3.13Å; S289-A292 VanDerWaalsContact OG-CB 3.29Å; S289-A292 WeakPolarHBondContact OG-CB 3.2Å; S289-A292 PolarHBondContact OG-N 3.43Å; A292-S294 VanDerWaalsContact C-N 3.32Å; A292-S294 PolarHBondContact O-N 3.1Å; A292-L295 PolarHBondContact O-N 3.19Å; A292-L296 WeakPolarHBondContact O-CG 3.21Å; A292-L296 PolarHBondContact O-N 2.96Å; A292-F323 HydrophobicContact CB-CD2 3.89Å; A292-F323 HydrophobicContact CB-CE2 3.75Å
293	Q	97.2	Very high	94.3	Very high	36 Å²	36	54.4 Å²	54.4	17%	0.168	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-38.2	176.9	-62.8	-176.8	32.7	0	0	112.4	M284 L288 S289 E291 R297	M284-Q293 HydrophobicContact CE-CB 4.2Å; M284-Q293 WeakPolarHBondContact CE-O 3.18Å; M284-Q293 HydrophobicContact CG-CB 3.99Å; M284-Q293 HydrophobicContact CG-CG 3.62Å; M284-Q293 HydrophobicContact SD-CB 3.83Å; M284-Q293 HydrophobicContact SD-CG 3.69Å; L288-Q293 HydrophobicContact CB-CG 3.81Å; L288-Q293 PolarHBondContact O-NE2 2.69Å; S289-Q293 VanDerWaalsContact O-CG 3.31Å; S289-Q293 WeakPolarHBondContact O-CG 3.37Å; S289-Q293 PolarHBondContact O-N 3.44Å; E291-Q293 VanDerWaalsContact C-N 3.34Å; E291-Q293 PolarHBondContact O-N 3.39Å; Q293-R297 WeakPolarHBondContact O-CG 3.48Å; Q293-R297 PolarHBondContact O-N 3.45Å; Q293-R297 VanDerWaalsContact O-N 3.09Å; Q293-R297 PolarHBondContact O-NE 2.79Å
294	S	97.1	Very high	94.3	Very high	50 Å²	50	53.2 Å²	53.2	35%	0.35	27%	0.265	S	S	.	.	H	α-helix	trans	-61.8	-47.6	176.2	-178.3	0	0	0	0	111.2	P290 E291 A292 R297 A298 H321	P290-S294 VanDerWaalsContact O-CB 3.28Å; P290-S294 WeakPolarHBondContact O-CB 3.35Å; P290-S294 PolarHBondContact O-N 3.25Å; E291-S294 WeakPolarHBondContact O-CB 3.28Å; E291-S294 PolarHBondContact O-N 3.33Å; A292-S294 VanDerWaalsContact C-N 3.32Å; A292-S294 PolarHBondContact O-N 3.1Å; S294-R297 PolarHBondContact O-N 2.74Å; S294-A298 PolarHBondContact O-N 3.42Å; S294-A298 VanDerWaalsContact O-N 3.12Å; S294-H321 PolarHBondContact OG-NE2 3.41Å
295	L	97.5	Very high	94.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.6	-48.1	179.7	-177.1	52.3	0	0	0	111.4	M255 E291 A292 R297 A298 L299 L308 H321 F323 F324	M255-L295 HydrophobicContact CE-CB 4.07Å; M255-L295 HydrophobicContact CE-CD2 3.83Å; M255-L295 HydrophobicContact CE-CG 4.16Å; M255-L295 HydrophobicContact SD-CB 4.29Å; M255-L295 HydrophobicContact SD-CD2 3.63Å; M255-L295 HydrophobicContact SD-CG 3.81Å; E291-L295 PolarHBondContact O-N 2.82Å; A292-L295 PolarHBondContact O-N 3.19Å; L295-R297 VanDerWaalsContact C-N 3.32Å; L295-R297 PolarHBondContact O-N 3.43Å; L295-A298 WeakPolarHBondContact O-CB 3.46Å; L295-A298 PolarHBondContact O-N 2.87Å; L295-L299 HydrophobicContact CD1-CD1 3.91Å; L295-L299 HydrophobicContact CD1-CG 4.09Å; L295-L299 HydrophobicContact CG-CD1 3.8Å; L295-L299 HydrophobicContact CG-CG 4.43Å; L295-L299 WeakPolarHBondContact O-CG 3.19Å; L295-L299 PolarHBondContact O-N 2.89Å; L295-L308 HydrophobicContact CD1-CD2 3.45Å; L295-L308 VanDerWaalsContact CD1-CD2 3.45Å; L295-H321 VanDerWaalsContact CB-CE1 3.48Å; L295-H321 WeakPolarHBondContact CB-CE1 3.02Å; L295-H321 HydrophobicContact CD1-CB 4.38Å; L295-H321 PolarHBondContact N-CE1 2.74Å; L295-H321 PolarHBondContact N-NE2 2.72Å; L295-F323 HydrophobicContact CB-CB 4.32Å; L295-F323 HydrophobicContact CD2-CB 3.87Å; L295-F323 HydrophobicContact CD2-CD1 3.46Å; L295-F323 VanDerWaalsContact CD2-CD1 3.46Å; L295-F323 HydrophobicContact CD2-CE1 4.21Å; L295-F323 HydrophobicContact CD2-CG 3.81Å; L295-F324 HydrophobicContact CD2-CD2 4.31Å; L295-F324 HydrophobicContact CD2-CE2 3.53Å; L295-F324 HydrophobicContact CD2-CZ 4Å
296	L	97.5	Very high	94.3	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.2	-41.8	177.3	-72.4	169.9	0	0	0	112.1	M255 F256 L259 M284 L288 A292 A298 L299 F300	M255-L296 HydrophobicContact CB-CD2 4.08Å; M255-L296 HydrophobicContact CE-CD2 4.33Å; M255-L296 HydrophobicContact CE-CG 3.96Å; M255-L296 HydrophobicContact CG-CD2 3.73Å; M255-L296 HydrophobicContact CG-CG 4.35Å; M255-L296 HydrophobicContact SD-CD2 3.69Å; M255-L296 HydrophobicContact SD-CG 3.9Å; F256-L296 HydrophobicContact CB-CD2 3.96Å; F256-L296 HydrophobicContact CD2-CD1 4.07Å; F256-L296 HydrophobicContact CD2-CD2 4.32Å; L259-L296 HydrophobicContact CD1-CD1 4.32Å; M284-L296 HydrophobicContact CE-CB 3.79Å; M284-L296 HydrophobicContact CE-CD1 4.34Å; M284-L296 HydrophobicContact SD-CD1 3.98Å; L288-L296 HydrophobicContact CD1-CD1 3.76Å; A292-L296 WeakPolarHBondContact O-CG 3.21Å; A292-L296 PolarHBondContact O-N 2.96Å; L296-A298 VanDerWaalsContact C-N 3.27Å; L296-A298 PolarHBondContact O-N 3Å; L296-L299 PolarHBondContact O-N 2.95Å; L296-F300 HydrophobicContact CB-CD2 4.4Å; L296-F300 HydrophobicContact CD2-CD2 4.46Å; L296-F300 HydrophobicContact CD2-CE2 3.88Å; L296-F300 WeakPolarHBondContact O-CB 3.33Å; L296-F300 VanDerWaalsContact O-CD2 3.23Å; L296-F300 WeakPolarHBondContact O-CD2 2.75Å; L296-F300 PolarHBondContact O-N 3.41Å
297	R	96.8	Very high	94.6	Very high	116 Å²	116	52.2 Å²	52.2	44%	0.438	26%	0.26	S	S	.	.	H	α-helix	trans	-63	-32.9	175.4	-78.6	-176.5	-74.3	-97.2	1.2	112.8	M284 Q293 S294 L295 K301	M284-R297 HydrophobicContact CE-CG 3.86Å; Q293-R297 WeakPolarHBondContact O-CG 3.48Å; Q293-R297 PolarHBondContact O-N 3.45Å; Q293-R297 VanDerWaalsContact O-N 3.09Å; Q293-R297 PolarHBondContact O-NE 2.79Å; S294-R297 PolarHBondContact O-N 2.74Å; L295-R297 VanDerWaalsContact C-N 3.32Å; L295-R297 PolarHBondContact O-N 3.43Å; R297-K301 WeakPolarHBondContact O-CE 3.48Å
298	A	96	Very high	94.8	Very high	22 Å²	22	48 Å²	48	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-78	-35.5	179.5	0	0	0	0	0	112.3	S294 L295 L296 K301 L308	S294-A298 PolarHBondContact O-N 3.42Å; S294-A298 VanDerWaalsContact O-N 3.12Å; L295-A298 WeakPolarHBondContact O-CB 3.46Å; L295-A298 PolarHBondContact O-N 2.87Å; L296-A298 VanDerWaalsContact C-N 3.27Å; L296-A298 PolarHBondContact O-N 3Å; A298-K301 VanDerWaalsContact O-CG 3.32Å; A298-K301 WeakPolarHBondContact O-CG 2.95Å; A298-L308 HydrophobicContact CB-CB 3.84Å; A298-L308 HydrophobicContact CB-CD1 4.41Å; A298-L308 HydrophobicContact CB-CD2 4.06Å; A298-L308 HydrophobicContact CB-CG 4.34Å; A298-L308 PolarHBondContact O-N 3.02Å; A298-L308 VanDerWaalsContact O-N 3.13Å
299	L	96.6	Very high	94.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-75.6	-35.3	176.4	-66.4	166.9	0	0	0	112.8	W248 F251 M255 L295 L296 K301 R307 L308 I318	W248-L299 HydrophobicContact CB-CD2 4.27Å; F251-L299 HydrophobicContact CD1-CD1 3.83Å; F251-L299 HydrophobicContact CD1-CD2 4.34Å; F251-L299 HydrophobicContact CE1-CD1 4.22Å; M255-L299 HydrophobicContact SD-CD1 4.25Å; L295-L299 HydrophobicContact CD1-CD1 3.91Å; L295-L299 HydrophobicContact CD1-CG 4.09Å; L295-L299 HydrophobicContact CG-CD1 3.8Å; L295-L299 HydrophobicContact CG-CG 4.43Å; L295-L299 WeakPolarHBondContact O-CG 3.19Å; L295-L299 PolarHBondContact O-N 2.89Å; L296-L299 PolarHBondContact O-N 2.95Å; L299-K301 PolarHBondContact O-N 3.4Å; L299-K301 VanDerWaalsContact O-N 3.17Å; L299-R307 VanDerWaalsContact O-CD 3.24Å; L299-R307 WeakPolarHBondContact O-CD 3.2Å; L299-R307 WeakPolarHBondContact O-CG 3.31Å; L299-R307 PolarHBondContact O-NE 2.59Å; L299-L308 HydrophobicContact CD2-CB 4.32Å; L299-I318 HydrophobicContact CD2-CD1 4.42Å
300	F	96.5	Very high	94.2	Very high	16 Å²	16	47.7 Å²	47.7	7%	0.07	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	28.3	178.9	-69.8	-55	0	0	0	114.8	W249 G252 V253 F256 P264 F265 L282 L296 R302	W249-F300 HydrophobicContact CD2-CD1 4.06Å; W249-F300 HydrophobicContact CD2-CE1 4.42Å; W249-F300 AromaticContact CE3-CD1 3.99Å; W249-F300 HydrophobicContact CE3-CD1 3.99Å; W249-F300 AromaticContact CH2-CD1 3.92Å; W249-F300 HydrophobicContact CH2-CD1 3.92Å; W249-F300 AromaticContact CZ2-CD1 3.96Å; W249-F300 HydrophobicContact CZ2-CD1 3.96Å; W249-F300 HydrophobicContact CZ2-CE1 4.32Å; W249-F300 HydrophobicContact CZ3-CB 4.35Å; W249-F300 AromaticContact CZ3-CD1 3.94Å; W249-F300 HydrophobicContact CZ3-CD1 3.94Å; G252-F300 VanDerWaalsContact O-CZ 3.28Å; G252-F300 WeakPolarHBondContact O-CZ 3.27Å; V253-F300 HydrophobicContact CG2-CE1 3.74Å; V253-F300 HydrophobicContact CG2-CZ 4.16Å; F256-F300 HydrophobicContact CB-CE2 4.21Å; F256-F300 HydrophobicContact CB-CZ 4.29Å; F256-F300 HydrophobicContact CD2-CE2 4.3Å; P264-F300 HydrophobicContact CB-CE2 4.36Å; P264-F300 HydrophobicContact CB-CZ 4.03Å; P264-F300 HydrophobicContact CG-CE1 4.26Å; P264-F300 HydrophobicContact CG-CZ 3.75Å; F265-F300 HydrophobicContact CE2-CD1 4.11Å; F265-F300 HydrophobicContact CE2-CE1 4.18Å; L282-F300 HydrophobicContact CD1-CD2 3.79Å; L282-F300 HydrophobicContact CD1-CE2 3.82Å; L282-F300 HydrophobicContact CD2-CB 4.28Å; L282-F300 HydrophobicContact CD2-CD2 3.49Å; L282-F300 VanDerWaalsContact CD2-CD2 3.49Å; L282-F300 HydrophobicContact CD2-CE2 4.2Å; L282-F300 HydrophobicContact CD2-CG 4.25Å; L282-F300 HydrophobicContact CG-CD2 4.25Å; L296-F300 HydrophobicContact CB-CD2 4.4Å; L296-F300 HydrophobicContact CD2-CD2 4.46Å; L296-F300 HydrophobicContact CD2-CE2 3.88Å; L296-F300 WeakPolarHBondContact O-CB 3.33Å; L296-F300 VanDerWaalsContact O-CD2 3.23Å; L296-F300 WeakPolarHBondContact O-CD2 2.75Å; L296-F300 PolarHBondContact O-N 3.41Å; F300-R302 PolarHBondContact O-N 3.09Å
301	K	95	Very high	93.4	Very high	98 Å²	98	46 Å²	46	43%	0.426	24%	0.24	S	C	.	.			trans	-72.4	118.3	168.4	-63.7	-73.8	-175.7	177	0	109	R297 A298 L299 N303 N306 R307	R297-K301 WeakPolarHBondContact O-CE 3.48Å; A298-K301 VanDerWaalsContact O-CG 3.32Å; A298-K301 WeakPolarHBondContact O-CG 2.95Å; L299-K301 PolarHBondContact O-N 3.4Å; L299-K301 VanDerWaalsContact O-N 3.17Å; K301-N303 VanDerWaalsContact C-N 3.3Å; K301-N303 PolarHBondContact O-N 2.93Å; K301-N306 HydrophobicContact CB-CB 4.35Å; K301-N306 WeakPolarHBondContact CG-O 3.33Å; K301-R307 HydrophobicContact CB-CB 4.24Å; K301-R307 PolarHBondContact O-NE 2.71Å; K301-R307 PolarHBondContact O-NH2 3.09Å; K301-R307 VanDerWaalsContact O-NH2 3.08Å
302	R	93.4	Very high	92.6	Very high	88 Å²	88	48.8 Å²	48.8	33%	0.332	27%	0.265	S	S	.	.	S	Bend	trans	-65.1	-34.2	-179	-74.5	-178.1	159.4	81.2	12.1	113.1	P234 W249 Q276 I277 L278 A280 F300 P304	P234-R302 HydrophobicContact CG-CB 4.47Å; P234-R302 HydrophobicContact CG-CG 4.16Å; W249-R302 HydrophobicContact CZ3-CG 4.4Å; Q276-R302 PolarHBondContact O-NH2 3.02Å; I277-R302 PolarHBondContact O-NE 3.48Å; I277-R302 PolarHBondContact O-NH2 2.55Å; L278-R302 PolarHBondContact O-NE 3.35Å; A280-R302 VanDerWaalsContact O-CZ 3.25Å; A280-R302 PolarHBondContact O-NH1 2.87Å; A280-R302 PolarHBondContact O-NH2 3.33Å; F300-R302 PolarHBondContact O-N 3.09Å; R302-P304 WeakPolarHBondContact O-CD 3.44Å
303	N	91.9	Very high	91.9	Very high	79 Å²	79	54.4 Å²	54.4	42%	0.422	29%	0.292	S	S	.	.	S	Bend	trans	-78.8	115	172.7	-168.2	25.5	0	0	0	109	K301 Q305 N306	K301-N303 VanDerWaalsContact C-N 3.3Å; K301-N303 PolarHBondContact O-N 2.93Å; N303-Q305 VanDerWaalsContact C-N 3.25Å; N303-Q305 PolarHBondContact O-N 2.88Å; N303-Q305 PolarHBondContact OD1-OE1 3.08Å; N303-N306 HydrophobicContact CB-CB 4.38Å; N303-N306 PolarHBondContact ND2-ND2 2.97Å; N303-N306 PolarHBondContact O-N 3.19Å
304	P	91.3	Very high	91.2	Very high	29 Å²	29	53.6 Å²	53.6	19%	0.188	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-60.5	-32	-174	21.3	-31.7	0	0	0	113.1	A245 R302 N306 R307 T310	A245-P304 HydrophobicContact CB-CB 3.84Å; R302-P304 WeakPolarHBondContact O-CD 3.44Å; P304-N306 PolarHBondContact O-N 3.33Å; P304-R307 WeakPolarHBondContact O-CB 3.13Å; P304-R307 PolarHBondContact O-N 3.06Å; P304-T310 WeakPolarHBondContact O-CG2 3Å; P304-T310 PolarHBondContact O-OG1 2.85Å
305	Q	89.7	Confident	90.8	Very high	131 Å²	131	52 Å²	52	61%	0.612	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-66.1	-20.4	177.1	-66.7	82	1.2	0	0	114.1	N303 T310	N303-Q305 VanDerWaalsContact C-N 3.25Å; N303-Q305 PolarHBondContact O-N 2.88Å; N303-Q305 PolarHBondContact OD1-OE1 3.08Å; Q305-T310 PolarHBondContact O-OG1 2.69Å
306	N	92	Very high	90.4	Very high	106 Å²	106	56.1 Å²	56.1	57%	0.567	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-100.3	1.1	-179.9	-64	-14.1	0	0	0	111.8	K301 N303 P304	K301-N306 HydrophobicContact CB-CB 4.35Å; K301-N306 WeakPolarHBondContact CG-O 3.33Å; N303-N306 HydrophobicContact CB-CB 4.38Å; N303-N306 PolarHBondContact ND2-ND2 2.97Å; N303-N306 PolarHBondContact O-N 3.19Å; P304-N306 PolarHBondContact O-N 3.33Å
307	R	94.7	Very high	90.2	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.008	32%	0.317	C	S	.	.	S	Bend	trans	-82.3	136.9	-175.7	-166.9	175.6	-59	142.5	3.4	109.7	E235 A245 L299 K301 P304 G309 T310	E235-R307 IonicContact OE1-CZ 2.75Å; E235-R307 IonicContact OE1-NH1 2.88Å; E235-R307 PolarHBondContact OE1-NH1 2.76Å; E235-R307 IonicContact OE1-NH2 3.72Å; E235-R307 PolarHBondContact OE1-NH2 2.76Å; E235-R307 IonicContact OE2-CZ 2.61Å; E235-R307 IonicContact OE2-NH1 3.83Å; E235-R307 IonicContact OE2-NH2 2.67Å; E235-R307 PolarHBondContact OE2-NH2 2.8Å; A245-R307 VanDerWaalsContact C-NH1 3.33Å; A245-R307 PolarHBondContact O-NH1 2.71Å; L299-R307 VanDerWaalsContact O-CD 3.24Å; L299-R307 WeakPolarHBondContact O-CD 3.2Å; L299-R307 WeakPolarHBondContact O-CG 3.31Å; L299-R307 PolarHBondContact O-NE 2.59Å; K301-R307 HydrophobicContact CB-CB 4.24Å; K301-R307 PolarHBondContact O-NE 2.71Å; K301-R307 PolarHBondContact O-NH2 3.09Å; K301-R307 VanDerWaalsContact O-NH2 3.08Å; P304-R307 WeakPolarHBondContact O-CB 3.13Å; P304-R307 PolarHBondContact O-N 3.06Å; R307-G309 PolarHBondContact O-N 3.11Å; R307-T310 HydrophobicContact CB-CG2 4.13Å; R307-T310 WeakPolarHBondContact O-CB 3.21Å; R307-T310 WeakPolarHBondContact O-CG2 3.03Å; R307-T310 PolarHBondContact O-N 3.23Å; R307-T310 PolarHBondContact O-OG1 3.19Å
308	L	92.7	Very high	90	Very high	28 Å²	28	53 Å²	53	15%	0.147	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	140.2	176.8	-161.8	72.1	0	0	0	110.5	L295 A298 L299 Q317 I318	L295-L308 HydrophobicContact CD1-CD2 3.45Å; L295-L308 VanDerWaalsContact CD1-CD2 3.45Å; A298-L308 HydrophobicContact CB-CB 3.84Å; A298-L308 HydrophobicContact CB-CD1 4.41Å; A298-L308 HydrophobicContact CB-CD2 4.06Å; A298-L308 HydrophobicContact CB-CG 4.34Å; A298-L308 PolarHBondContact O-N 3.02Å; A298-L308 VanDerWaalsContact O-N 3.13Å; L299-L308 HydrophobicContact CD2-CB 4.32Å; L308-Q317 HydrophobicContact CD1-CB 3.69Å; L308-Q317 HydrophobicContact CG-CB 4.19Å; L308-I318 HydrophobicContact CB-CG1 4.48Å; L308-I318 HydrophobicContact CD2-CG1 3.84Å; L308-I318 HydrophobicContact CG-CG1 3.79Å
309	G	88.2	Confident	89.9	Confident	4 Å²	4	53.6 Å²	53.6	4%	0.041	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	1.3	-175.8	0	0	0	0	0	114	W248 R307 G314	W248-G309 PolarHBondContact NE1-O 3.48Å; W248-G309 VanDerWaalsContact NE1-O 3.1Å; R307-G309 PolarHBondContact O-N 3.11Å; G309-G314 CarbonylContact C-O 3.52Å; G309-G314 VanDerWaalsContact CA-O 3.28Å; G309-G314 WeakPolarHBondContact CA-O 3.39Å
310	T	84	Confident	89.8	Confident	21 Å²	21	57.7 Å²	57.7	13%	0.129	32%	0.324	C	S	.	.			trans	-112.8	148.4	179.5	72.4	0	0	0	0	111.4	A245 P304 Q305 R307 Q317	A245-T310 HydrophobicContact CB-CG2 3.45Å; A245-T310 VanDerWaalsContact CB-CG2 3.45Å; P304-T310 WeakPolarHBondContact O-CG2 3Å; P304-T310 PolarHBondContact O-OG1 2.85Å; Q305-T310 PolarHBondContact O-OG1 2.69Å; R307-T310 HydrophobicContact CB-CG2 4.13Å; R307-T310 WeakPolarHBondContact O-CB 3.21Å; R307-T310 WeakPolarHBondContact O-CG2 3.03Å; R307-T310 PolarHBondContact O-N 3.23Å; R307-T310 PolarHBondContact O-OG1 3.19Å; T310-Q317 PolarHBondContact O-OE1 3.04Å
311	G	81.2	Confident	89.8	Confident	54 Å²	54	57.7 Å²	57.7	56%	0.557	32%	0.324	S	S	*	.	S	Bend	trans	98.8	-173.4	-175.9	0	0	0	0	0	113.3	E313 G314	G311-E313 VanDerWaalsContact C-N 3.3Å; G311-E313 PolarHBondContact O-N 2.83Å; G311-G314 WeakPolarHBondContact O-CA 3.05Å; G311-G314 PolarHBondContact O-N 3.48Å
312	P	79.5	Confident	89.9	Confident	144 Å²	144	56.7 Å²	56.7	94%	0.935	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-28.9	-169.7	24.4	-33.4	0	0	0	113.9	G314	P312-G314 VanDerWaalsContact C-N 3.29Å
313	E	80.1	Confident	90.1	Very high	118 Å²	118	52.7 Å²	52.7	55%	0.551	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-17.7	174.5	-64.5	179.3	164.3	0	0	112.5	G311 I315 T316 Q317	G311-E313 VanDerWaalsContact C-N 3.3Å; G311-E313 PolarHBondContact O-N 2.83Å; E313-I315 PolarHBondContact O-N 3.36Å; E313-T316 WeakPolarHBondContact O-CB 3.16Å; E313-T316 PolarHBondContact O-N 3.46Å; E313-T316 PolarHBondContact O-OG1 3.35Å; E313-Q317 HydrophobicContact CB-CG 3.69Å; E313-Q317 VanDerWaalsContact OE2-CG 3.3Å; E313-Q317 WeakPolarHBondContact OE2-CG 3.35Å; E313-Q317 PolarHBondContact OE2-NE2 3.02Å
314	G	83.3	Confident	90.3	Very high	19 Å²	19	49 Å²	49	20%	0.196	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.8	-126.1	176.3	0	0	0	0	0	112.7	G309 G311 P312 T316 Q317	G309-G314 CarbonylContact C-O 3.52Å; G309-G314 VanDerWaalsContact CA-O 3.28Å; G309-G314 WeakPolarHBondContact CA-O 3.39Å; G311-G314 WeakPolarHBondContact O-CA 3.05Å; G311-G314 PolarHBondContact O-N 3.48Å; P312-G314 VanDerWaalsContact C-N 3.29Å; G314-T316 PolarHBondContact O-N 3.11Å; G314-Q317 PolarHBondContact O-N 3.39Å
315	I	88.1	Confident	90.5	Very high	18 Å²	18	52.5 Å²	52.5	9%	0.092	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.9	-179.3	-165.4	168.5	0	0	0	114.1	A176 E180 W248 E313 Q317 I318 M319	A176-I315 HydrophobicContact CB-CD1 4.2Å; A176-I315 WeakPolarHBondContact O-CD1 3.1Å; E180-I315 HydrophobicContact CB-CD1 3.47Å; E180-I315 VanDerWaalsContact CB-CD1 3.47Å; E180-I315 HydrophobicContact CG-CD1 3.93Å; E180-I315 HydrophobicContact CG-CG2 3.84Å; W248-I315 HydrophobicContact CH2-CD1 3.79Å; W248-I315 HydrophobicContact CH2-CG1 3.86Å; W248-I315 HydrophobicContact CZ2-CB 4.23Å; W248-I315 HydrophobicContact CZ2-CD1 4.15Å; W248-I315 HydrophobicContact CZ2-CG1 3.98Å; E313-I315 PolarHBondContact O-N 3.36Å; I315-Q317 PolarHBondContact O-N 3.28Å; I315-I318 HydrophobicContact CG1-CB 4.37Å; I315-I318 WeakPolarHBondContact O-CA 3.08Å; I315-I318 WeakPolarHBondContact O-CB 3.38Å; I315-I318 PolarHBondContact O-N 3.32Å; I315-M319 HydrophobicContact CD1-CE 3.76Å; I315-M319 HydrophobicContact CG1-CE 4.21Å; I315-M319 HydrophobicContact CG1-CG 4.14Å; I315-M319 HydrophobicContact CG1-SD 4.45Å; I315-M319 HydrophobicContact CG2-CE 4.48Å; I315-M319 HydrophobicContact CG2-SD 4.37Å; I315-M319 PolarHBondContact O-N 3.38Å
316	T	89.9	Confident	90.6	Very high	85 Å²	85	49.6 Å²	49.6	52%	0.521	31%	0.312	S	S	.	.	H	α-helix	trans	-56.5	-31.9	-177.5	-45.8	0	0	0	0	111.1	E313 G314 I318 M319 S320	E313-T316 WeakPolarHBondContact O-CB 3.16Å; E313-T316 PolarHBondContact O-N 3.46Å; E313-T316 PolarHBondContact O-OG1 3.35Å; G314-T316 PolarHBondContact O-N 3.11Å; T316-I318 VanDerWaalsContact C-N 3.35Å; T316-M319 PolarHBondContact O-N 3Å; T316-S320 VanDerWaalsContact O-CB 3.28Å; T316-S320 WeakPolarHBondContact O-CB 3.46Å; T316-S320 PolarHBondContact O-N 3.09Å; T316-S320 PolarHBondContact O-OG 2.92Å
317	Q	92.4	Very high	90.8	Very high	50 Å²	50	46 Å²	46	23%	0.234	29%	0.293	C	S	.	.	H	α-helix	trans	-65.8	-35.4	174.6	-59.7	-174.7	-28.2	0	0	113.3	L308 T310 E313 G314 I315 S320 H321	L308-Q317 HydrophobicContact CD1-CB 3.69Å; L308-Q317 HydrophobicContact CG-CB 4.19Å; T310-Q317 PolarHBondContact O-OE1 3.04Å; E313-Q317 HydrophobicContact CB-CG 3.69Å; E313-Q317 VanDerWaalsContact OE2-CG 3.3Å; E313-Q317 WeakPolarHBondContact OE2-CG 3.35Å; E313-Q317 PolarHBondContact OE2-NE2 3.02Å; G314-Q317 PolarHBondContact O-N 3.39Å; I315-Q317 PolarHBondContact O-N 3.28Å; Q317-S320 PolarHBondContact O-OG 3.12Å; Q317-H321 PolarHBondContact O-N 3.32Å
318	I	93.4	Very high	90.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-74.3	-46.7	175.7	-64.7	178.6	0	0	0	109.1	W248 L299 L308 I315 T316 S320 H321 F324	W248-I318 HydrophobicContact CD2-CD1 3.29Å; W248-I318 HydrophobicContact CE3-CD1 3.13Å; W248-I318 HydrophobicContact CG-CD1 4.08Å; W248-I318 HydrophobicContact CH2-CD1 3.53Å; W248-I318 HydrophobicContact CZ2-CD1 3.66Å; W248-I318 HydrophobicContact CZ3-CD1 3.26Å; L299-I318 HydrophobicContact CD2-CD1 4.42Å; L308-I318 HydrophobicContact CB-CG1 4.48Å; L308-I318 HydrophobicContact CD2-CG1 3.84Å; L308-I318 HydrophobicContact CG-CG1 3.79Å; I315-I318 HydrophobicContact CG1-CB 4.37Å; I315-I318 WeakPolarHBondContact O-CA 3.08Å; I315-I318 WeakPolarHBondContact O-CB 3.38Å; I315-I318 PolarHBondContact O-N 3.32Å; T316-I318 VanDerWaalsContact C-N 3.35Å; I318-S320 VanDerWaalsContact C-N 3.27Å; I318-S320 PolarHBondContact O-N 3.44Å; I318-H321 WeakPolarHBondContact O-CB 3.49Å; I318-H321 PolarHBondContact O-N 2.98Å; I318-H321 VanDerWaalsContact O-N 3.13Å; I318-F324 HydrophobicContact CG2-CD2 4.38Å; I318-F324 HydrophobicContact CG2-CE2 3.82Å; I318-F324 VanDerWaalsContact O-CD2 3.25Å; I318-F324 WeakPolarHBondContact O-CD2 2.93Å
319	M	93.6	Very high	90.8	Very high	35 Å²	35	51.3 Å²	51.3	17%	0.172	32%	0.318	C	S	.	.	H	α-helix	trans	-63.6	-31.8	-178.8	-72.2	178.7	168.4	0	0	113.9	L177 E180 I315 T316 W329	L177-M319 HydrophobicContact CD2-CE 3.53Å; L177-M319 HydrophobicContact CG-CE 4.37Å; E180-M319 WeakPolarHBondContact OE2-CE 3.26Å; I315-M319 HydrophobicContact CD1-CE 3.76Å; I315-M319 HydrophobicContact CG1-CE 4.21Å; I315-M319 HydrophobicContact CG1-CG 4.14Å; I315-M319 HydrophobicContact CG1-SD 4.45Å; I315-M319 HydrophobicContact CG2-CE 4.48Å; I315-M319 HydrophobicContact CG2-SD 4.37Å; I315-M319 PolarHBondContact O-N 3.38Å; T316-M319 PolarHBondContact O-N 3Å; M319-W329 HydrophobicContact CB-CD2 4.25Å; M319-W329 HydrophobicContact CB-CH2 4.37Å; M319-W329 HydrophobicContact CB-CZ2 3.76Å; M319-W329 HydrophobicContact CE-CD2 4.21Å; M319-W329 HydrophobicContact CE-CE3 3.77Å; M319-W329 HydrophobicContact CE-CZ3 4.13Å; M319-W329 HydrophobicContact CG-CD2 3.8Å; M319-W329 HydrophobicContact CG-CE3 3.95Å; M319-W329 HydrophobicContact CG-CH2 3.81Å; M319-W329 HydrophobicContact CG-CZ2 3.66Å; M319-W329 HydrophobicContact CG-CZ3 3.93Å; M319-W329 PolarHBondContact O-NE1 3.47Å; M319-W329 HydrophobicContact SD-CD2 4.19Å; M319-W329 HydrophobicContact SD-CE3 4.33Å; M319-W329 HydrophobicContact SD-CG 4.48Å
320	S	94.3	Very high	90.9	Very high	86 Å²	86	55 Å²	55	60%	0.601	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-4.3	177.9	59.1	0	0	0	0	114.1	T316 Q317 I318	T316-S320 VanDerWaalsContact O-CB 3.28Å; T316-S320 WeakPolarHBondContact O-CB 3.46Å; T316-S320 PolarHBondContact O-N 3.09Å; T316-S320 PolarHBondContact O-OG 2.92Å; Q317-S320 PolarHBondContact O-OG 3.12Å; I318-S320 VanDerWaalsContact C-N 3.27Å; I318-S320 PolarHBondContact O-N 3.44Å
321	H	96.9	Very high	91.3	Very high	17 Å²	17	54.6 Å²	54.6	8%	0.079	34%	0.342	C	S	.	.	S	Bend	trans	-64.3	137.9	-179.3	-172.2	-85.6	0	0	0	110.4	E291 S294 L295 Q317 I318 F323 F324	E291-H321 PolarHBondContact O-CE1 3.29Å; S294-H321 PolarHBondContact OG-NE2 3.41Å; L295-H321 VanDerWaalsContact CB-CE1 3.48Å; L295-H321 WeakPolarHBondContact CB-CE1 3.02Å; L295-H321 HydrophobicContact CD1-CB 4.38Å; L295-H321 PolarHBondContact N-CE1 2.74Å; L295-H321 PolarHBondContact N-NE2 2.72Å; Q317-H321 PolarHBondContact O-N 3.32Å; I318-H321 WeakPolarHBondContact O-CB 3.49Å; I318-H321 PolarHBondContact O-N 2.98Å; I318-H321 VanDerWaalsContact O-N 3.13Å; H321-F323 WeakPolarHBondContact ND1-CB 3.03Å; H321-F323 PolarHBondContact ND1-N 3.27Å; H321-F323 VanDerWaalsContact ND1-N 3.18Å; H321-F323 PolarHBondContact O-N 3.3Å; H321-F324 HydrophobicContact CB-CD2 4.5Å; H321-F324 PolarHBondContact O-N 3.08Å
322	P	96.9	Very high	91.9	Very high	76 Å²	76	52 Å²	52	49%	0.494	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-52.4	-29.8	-176.9	-31.4	36.4	0	0	0	115.4	E291 F324 S325	E291-P322 HydrophobicContact CG-CB 4.05Å; P322-F324 PolarHBondContact O-N 2.88Å; P322-S325 VanDerWaalsContact O-CB 3.28Å; P322-S325 WeakPolarHBondContact O-CB 3.23Å; P322-S325 PolarHBondContact O-N 3.26Å; P322-S325 VanDerWaalsContact O-N 3.1Å; P322-S325 PolarHBondContact O-OG 3.02Å
323	F	97.1	Very high	92.4	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.018	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-55.1	-35.2	173.7	-176	-102.2	0	0	0	112.9	K169 L172 M255 E291 A292 L295 H321	K169-F323 HydrophobicContact CB-CD1 4.5Å; K169-F323 HydrophobicContact CB-CE1 3.72Å; K169-F323 HydrophobicContact CB-CZ 3.84Å; K169-F323 WeakPolarHBondContact CD-O 3.5Å; K169-F323 WeakPolarHBondContact CE-O 3.12Å; K169-F323 HydrophobicContact CG-CD1 4.18Å; K169-F323 HydrophobicContact CG-CE1 3.88Å; K169-F323 HydrophobicContact CG-CZ 4.37Å; K169-F323 PolarHBondContact NZ-O 3.44Å; L172-F323 HydrophobicContact CD1-CE1 4.26Å; M255-F323 HydrophobicContact CE-CD1 4.35Å; M255-F323 HydrophobicContact CE-CD2 4.25Å; M255-F323 HydrophobicContact CE-CE1 4.06Å; M255-F323 HydrophobicContact CE-CE2 3.99Å; M255-F323 HydrophobicContact CE-CG 4.43Å; M255-F323 HydrophobicContact CE-CZ 3.89Å; E291-F323 HydrophobicContact CB-CB 4.27Å; E291-F323 HydrophobicContact CB-CD2 4.4Å; A292-F323 HydrophobicContact CB-CD2 3.89Å; A292-F323 HydrophobicContact CB-CE2 3.75Å; L295-F323 HydrophobicContact CB-CB 4.32Å; L295-F323 HydrophobicContact CD2-CB 3.87Å; L295-F323 HydrophobicContact CD2-CD1 3.46Å; L295-F323 VanDerWaalsContact CD2-CD1 3.46Å; L295-F323 HydrophobicContact CD2-CE1 4.21Å; L295-F323 HydrophobicContact CD2-CG 3.81Å; H321-F323 WeakPolarHBondContact ND1-CB 3.03Å; H321-F323 PolarHBondContact ND1-N 3.27Å; H321-F323 VanDerWaalsContact ND1-N 3.18Å; H321-F323 PolarHBondContact O-N 3.3Å
324	F	97.2	Very high	92.8	Very high	1 Å²	1	51.3 Å²	51.3	0%	0.004	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-97.8	15	179.5	-62	-73.1	0	0	0	113.7	K169 L172 A173 F251 L295 I318 H321 P322 S326 I327 W329	K169-F324 HydrophobicContact CG-CD1 3.67Å; K169-F324 HydrophobicContact CG-CE1 4.09Å; L172-F324 HydrophobicContact CB-CE1 3.94Å; L172-F324 HydrophobicContact CB-CZ 3.97Å; A173-F324 HydrophobicContact CB-CD1 4.08Å; A173-F324 HydrophobicContact CB-CE1 4.08Å; F251-F324 HydrophobicContact CE1-CZ 4.44Å; F251-F324 HydrophobicContact CZ-CZ 4.16Å; L295-F324 HydrophobicContact CD2-CD2 4.31Å; L295-F324 HydrophobicContact CD2-CE2 3.53Å; L295-F324 HydrophobicContact CD2-CZ 4Å; I318-F324 HydrophobicContact CG2-CD2 4.38Å; I318-F324 HydrophobicContact CG2-CE2 3.82Å; I318-F324 VanDerWaalsContact O-CD2 3.25Å; I318-F324 WeakPolarHBondContact O-CD2 2.93Å; H321-F324 HydrophobicContact CB-CD2 4.5Å; H321-F324 PolarHBondContact O-N 3.08Å; P322-F324 PolarHBondContact O-N 2.88Å; F324-S326 PolarHBondContact O-N 3.23Å; F324-I327 HydrophobicContact CB-CG1 4.24Å; F324-I327 HydrophobicContact CD1-CG1 4.11Å; F324-I327 WeakPolarHBondContact O-CB 3.31Å; F324-I327 PolarHBondContact O-N 2.93Å; F324-W329 HydrophobicContact CB-CH2 4.35Å; F324-W329 HydrophobicContact CB-CZ2 3.61Å; F324-W329 HydrophobicContact CD1-CH2 4.1Å; F324-W329 HydrophobicContact CD1-CZ2 4.19Å; F324-W329 HydrophobicContact CD2-CH2 4.47Å; F324-W329 HydrophobicContact CD2-CZ2 4.35Å; F324-W329 HydrophobicContact CG-CH2 4.07Å; F324-W329 AromaticContact CG-CZ2 3.82Å; F324-W329 HydrophobicContact CG-CZ2 3.82Å
325	S	94.6	Very high	93.1	Very high	103 Å²	103	54.3 Å²	54.3	72%	0.72	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.5	-173	67.9	0	0	0	0	114.8	P322	P322-S325 VanDerWaalsContact O-CB 3.28Å; P322-S325 WeakPolarHBondContact O-CB 3.23Å; P322-S325 PolarHBondContact O-N 3.26Å; P322-S325 VanDerWaalsContact O-N 3.1Å; P322-S325 PolarHBondContact O-OG 3.02Å
326	S	93.5	Very high	93.2	Very high	71 Å²	71	60.2 Å²	60.2	50%	0.497	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-7.2	177.5	55.8	0	0	0	0	114	K169 F324	K169-S326 WeakPolarHBondContact CD-OG 3.27Å; K169-S326 PolarHBondContact NZ-OG 3.39Å; F324-S326 PolarHBondContact O-N 3.23Å
327	I	94.8	Very high	93.1	Very high	30 Å²	30	58.4 Å²	58.4	15%	0.154	31%	0.311	C	S	.	.			trans	-84.1	123.8	-175.3	-61.1	-59.2	0	0	0	110.8	K169 A173 F324 W329 L332	K169-I327 HydrophobicContact CD-CD1 4.07Å; K169-I327 HydrophobicContact CD-CG1 4.05Å; K169-I327 HydrophobicContact CG-CD1 4.08Å; K169-I327 HydrophobicContact CG-CG1 4.03Å; A173-I327 HydrophobicContact CB-CD1 4.29Å; A173-I327 HydrophobicContact CB-CG1 4.09Å; A173-I327 HydrophobicContact CB-CG2 4Å; F324-I327 HydrophobicContact CB-CG1 4.24Å; F324-I327 HydrophobicContact CD1-CG1 4.11Å; F324-I327 WeakPolarHBondContact O-CB 3.31Å; F324-I327 PolarHBondContact O-N 2.93Å; I327-W329 HydrophobicContact CB-CZ2 4.43Å; I327-W329 HydrophobicContact CG2-CD2 3.83Å; I327-W329 HydrophobicContact CG2-CE3 4.16Å; I327-W329 HydrophobicContact CG2-CG 4.16Å; I327-W329 HydrophobicContact CG2-CZ2 4.25Å; I327-W329 PolarHBondContact O-N 3.19Å; I327-L332 HydrophobicContact CG2-CD2 4.01Å
328	N	93.4	Very high	92.8	Very high	97 Å²	97	64.6 Å²	64.6	52%	0.519	34%	0.34	S	S	.	.			trans	-88.1	96.5	162.5	-176.8	-27.7	0	0	0	109	S330 A331 L332	N328-S330 VanDerWaalsContact C-N 3.33Å; N328-S330 PolarHBondContact O-N 2.91Å; N328-S330 PolarHBondContact OD1-N 3.31Å; N328-A331 HydrophobicContact CB-CB 3.91Å; N328-A331 VanDerWaalsContact CG-CB 3.49Å; N328-A331 PolarHBondContact O-N 3.44Å; N328-A331 PolarHBondContact OD1-N 3.45Å; N328-L332 WeakPolarHBondContact O-CB 3.43Å; N328-L332 PolarHBondContact O-N 3.33Å
329	W	94.3	Very high	92.5	Very high	45 Å²	45	65.7 Å²	65.7	17%	0.17	35%	0.347	C	S	.	.	H	α-helix	trans	-57.4	-41.1	-175.6	-63.9	98.2	0	0	0	113.6	A173 A176 L177 M319 F324 I327 L332 Y333	A173-W329 HydrophobicContact CB-CE3 4.47Å; A173-W329 HydrophobicContact CB-CH2 3.79Å; A173-W329 HydrophobicContact CB-CZ3 3.71Å; A173-W329 WeakPolarHBondContact O-CZ3 3.4Å; A176-W329 HydrophobicContact CB-CH2 4.4Å; A176-W329 HydrophobicContact CB-CZ3 4.2Å; L177-W329 HydrophobicContact CD1-CE3 4.27Å; L177-W329 HydrophobicContact CD2-CE3 4.12Å; L177-W329 HydrophobicContact CG-CE3 4Å; L177-W329 HydrophobicContact CG-CZ3 4.29Å; M319-W329 HydrophobicContact CB-CD2 4.25Å; M319-W329 HydrophobicContact CB-CH2 4.37Å; M319-W329 HydrophobicContact CB-CZ2 3.76Å; M319-W329 HydrophobicContact CE-CD2 4.21Å; M319-W329 HydrophobicContact CE-CE3 3.77Å; M319-W329 HydrophobicContact CE-CZ3 4.13Å; M319-W329 HydrophobicContact CG-CD2 3.8Å; M319-W329 HydrophobicContact CG-CE3 3.95Å; M319-W329 HydrophobicContact CG-CH2 3.81Å; M319-W329 HydrophobicContact CG-CZ2 3.66Å; M319-W329 HydrophobicContact CG-CZ3 3.93Å; M319-W329 PolarHBondContact O-NE1 3.47Å; M319-W329 HydrophobicContact SD-CD2 4.19Å; M319-W329 HydrophobicContact SD-CE3 4.33Å; M319-W329 HydrophobicContact SD-CG 4.48Å; F324-W329 HydrophobicContact CB-CH2 4.35Å; F324-W329 HydrophobicContact CB-CZ2 3.61Å; F324-W329 HydrophobicContact CD1-CH2 4.1Å; F324-W329 HydrophobicContact CD1-CZ2 4.19Å; F324-W329 HydrophobicContact CD2-CH2 4.47Å; F324-W329 HydrophobicContact CD2-CZ2 4.35Å; F324-W329 HydrophobicContact CG-CH2 4.07Å; F324-W329 AromaticContact CG-CZ2 3.82Å; F324-W329 HydrophobicContact CG-CZ2 3.82Å; I327-W329 HydrophobicContact CB-CZ2 4.43Å; I327-W329 HydrophobicContact CG2-CD2 3.83Å; I327-W329 HydrophobicContact CG2-CE3 4.16Å; I327-W329 HydrophobicContact CG2-CG 4.16Å; I327-W329 HydrophobicContact CG2-CZ2 4.25Å; I327-W329 PolarHBondContact O-N 3.19Å; W329-L332 PolarHBondContact O-N 2.88Å; W329-Y333 WeakPolarHBondContact O-CB 3.18Å; W329-Y333 PolarHBondContact O-N 2.88Å
330	S	90.6	Very high	91.9	Very high	81 Å²	81	66.8 Å²	66.8	57%	0.566	36%	0.357	S	S	*	.	H	α-helix	trans	-66.1	-46.3	177.9	-58.7	0	0	0	0	111.5	N328 L332 Y333 W334	N328-S330 VanDerWaalsContact C-N 3.33Å; N328-S330 PolarHBondContact O-N 2.91Å; N328-S330 PolarHBondContact OD1-N 3.31Å; S330-L332 VanDerWaalsContact C-N 3.29Å; S330-L332 PolarHBondContact O-N 3.42Å; S330-Y333 PolarHBondContact O-N 2.72Å; S330-W334 PolarHBondContact O-N 3.3Å; S330-W334 VanDerWaalsContact O-N 3.08Å
331	A	92.1	Very high	90.9	Very high	12 Å²	12	63.8 Å²	63.8	10%	0.099	33%	0.333	C	S	.	.	H	α-helix	trans	-63.1	-38.7	176.6	0	0	0	0	0	111.3	N328 W334 R335 Q336 V337	N328-A331 HydrophobicContact CB-CB 3.91Å; N328-A331 VanDerWaalsContact CG-CB 3.49Å; N328-A331 PolarHBondContact O-N 3.44Å; N328-A331 PolarHBondContact OD1-N 3.45Å; A331-W334 CarbonylContact O-C 3.49Å; A331-W334 PolarHBondContact O-N 3.47Å; A331-R335 PolarHBondContact O-N 3.45Å; A331-Q336 HydrophobicContact CB-CB 4.12Å; A331-Q336 WeakPolarHBondContact O-CB 3.13Å; A331-Q336 PolarHBondContact O-N 3.07Å; A331-V337 HydrophobicContact CB-CG2 3.85Å
332	L	93.4	Very high	89.8	Confident	1 Å²	1	69.9 Å²	69.9	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-63.3	-50.2	176.8	-170.3	66.8	0	0	0	111	F127 F170 A173 E174 L177 I327 N328 W329 S330 W334 R335 V337	F127-L332 HydrophobicContact CZ-CG 4.46Å; F127-L332 VanDerWaalsContact CZ-O 3.31Å; F127-L332 WeakPolarHBondContact CZ-O 3.47Å; F170-L332 HydrophobicContact CD2-CD1 3.97Å; F170-L332 HydrophobicContact CE2-CD1 3.45Å; F170-L332 VanDerWaalsContact CE2-CD1 3.45Å; F170-L332 HydrophobicContact CZ-CD1 3.86Å; A173-L332 HydrophobicContact CB-CD2 3.37Å; E174-L332 HydrophobicContact CG-CD1 3.78Å; E174-L332 HydrophobicContact CG-CD2 3.96Å; E174-L332 HydrophobicContact CG-CG 3.93Å; L177-L332 HydrophobicContact CD1-CB 4.35Å; L177-L332 HydrophobicContact CD1-CD2 4.02Å; L177-L332 HydrophobicContact CD1-CG 4.19Å; I327-L332 HydrophobicContact CG2-CD2 4.01Å; N328-L332 WeakPolarHBondContact O-CB 3.43Å; N328-L332 PolarHBondContact O-N 3.33Å; W329-L332 PolarHBondContact O-N 2.88Å; S330-L332 VanDerWaalsContact C-N 3.29Å; S330-L332 PolarHBondContact O-N 3.42Å; L332-W334 VanDerWaalsContact C-N 3.26Å; L332-W334 PolarHBondContact O-N 2.78Å; L332-R335 WeakPolarHBondContact O-CA 3.14Å; L332-R335 PolarHBondContact O-N 3.01Å; L332-V337 HydrophobicContact CB-CG2 4.33Å; L332-V337 HydrophobicContact CD1-CB 4.06Å; L332-V337 HydrophobicContact CD1-CG2 4.37Å
333	Y	90.4	Very high	88.3	Confident	72 Å²	72	66.4 Å²	66.4	28%	0.282	34%	0.337	S	S	.	.	H	α-helix	trans	-54.5	-41.6	176.2	-178.6	-87.8	0	0	0	112.4	H125 P126 W329 S330 R335	H125-Y333 AromaticContact CD2-CE2 3.67Å; H125-Y333 AromaticContact NE2-CD2 3.8Å; H125-Y333 AromaticContact NE2-CE2 3.4Å; H125-Y333 WeakPolarHBondContact NE2-CE2 3.48Å; P126-Y333 HydrophobicContact CG-CD2 4.23Å; P126-Y333 HydrophobicContact CG-CE2 4.13Å; P126-Y333 WeakPolarHBondContact CG-O 3.44Å; W329-Y333 WeakPolarHBondContact O-CB 3.18Å; W329-Y333 PolarHBondContact O-N 2.88Å; S330-Y333 PolarHBondContact O-N 2.72Å; Y333-R335 PolarHBondContact O-N 3.47Å
334	W	88.5	Confident	86.4	Confident	175 Å²	175	67.7 Å²	67.7	66%	0.663	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	10.8	177.2	-65	118.4	0	0	0	114.3	S330 A331 L332 Q336	S330-W334 PolarHBondContact O-N 3.3Å; S330-W334 VanDerWaalsContact O-N 3.08Å; A331-W334 CarbonylContact O-C 3.49Å; A331-W334 PolarHBondContact O-N 3.47Å; L332-W334 VanDerWaalsContact C-N 3.26Å; L332-W334 PolarHBondContact O-N 2.78Å; W334-Q336 HydrophobicContact CB-CG 4.01Å; W334-Q336 PolarHBondContact O-N 3.34Å
335	R	89.8	Confident	84.4	Confident	81 Å²	81	69.2 Å²	69.2	31%	0.306	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.6	34.9	-179.5	-61.7	171.1	57.6	141	0.7	113.5	F127 D200 E202 H204 A331 L332 Y333	F127-R335 HydrophobicContact CE1-CG 4.12Å; F127-R335 HydrophobicContact CZ-CG 4.37Å; D200-R335 IonicContact OD1-NH2 2.69Å; D200-R335 IonicContact OD2-CZ 2.85Å; D200-R335 IonicContact OD2-NH1 3.34Å; D200-R335 PolarHBondContact OD2-NH1 3.29Å; D200-R335 IonicContact OD2-NH2 3.08Å; D200-R335 PolarHBondContact OD2-NH2 2.69Å; E202-R335 IonicContact OE2-CZ 2.83Å; E202-R335 IonicContact OE2-NE 3.08Å; E202-R335 IonicContact OE2-NH2 3.77Å; E202-R335 PolarHBondContact OE2-NH2 3.01Å; H204-R335 PolarHBondContact CD2-NE 3.04Å; H204-R335 PolarHBondContact CD2-NH2 3.24Å; A331-R335 PolarHBondContact O-N 3.45Å; L332-R335 WeakPolarHBondContact O-CA 3.14Å; L332-R335 PolarHBondContact O-N 3.01Å; Y333-R335 PolarHBondContact O-N 3.47Å
336	Q	89.2	Confident	82	Confident	143 Å²	143	66.7 Å²	66.7	67%	0.668	34%	0.338	S	S	*	.			trans	-92.1	-8	178.2	-62	176.9	-2.2	0	0	112.7	A331 W334	A331-Q336 HydrophobicContact CB-CB 4.12Å; A331-Q336 WeakPolarHBondContact O-CB 3.13Å; A331-Q336 PolarHBondContact O-N 3.07Å; W334-Q336 HydrophobicContact CB-CG 4.01Å; W334-Q336 PolarHBondContact O-N 3.34Å
337	V	88.1	Confident	79.8	Confident	47 Å²	47	65.5 Å²	65.5	29%	0.285	32%	0.322	S	S	.	.	S	Bend	trans	-97	124.5	173.1	-173	0	0	0	0	107.9	F170 H204 A331 L332	F170-V337 HydrophobicContact CD2-CG1 4.06Å; F170-V337 HydrophobicContact CE2-CB 4.06Å; F170-V337 HydrophobicContact CE2-CG1 3.72Å; H204-V337 PolarHBondContact CE1-O 3.08Å; A331-V337 HydrophobicContact CB-CG2 3.85Å; L332-V337 HydrophobicContact CB-CG2 4.33Å; L332-V337 HydrophobicContact CD1-CB 4.06Å; L332-V337 HydrophobicContact CD1-CG2 4.37Å
338	Q	86.7	Confident	77.5	Confident	179 Å²	179	65.6 Å²	65.6	84%	0.836	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-67.7	130.3	179.2	-72.1	-172.8	-9.2	0	0	110.6
339	P	87.1	Confident	75.3	Confident	23 Å²	23	62.6 Å²	62.6	15%	0.149	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-59.2	145.7	172.5	-26	35.9	0	0	0	112.3	F170 E202 G203 H204 F341	F170-P339 HydrophobicContact CE1-CB 3.87Å; F170-P339 HydrophobicContact CE1-CG 4.19Å; F170-P339 VanDerWaalsContact CZ-CA 3.48Å; F170-P339 HydrophobicContact CZ-CB 3.91Å; F170-P339 HydrophobicContact CZ-CG 3.86Å; E202-P339 WeakPolarHBondContact O-CG 3.31Å; G203-P339 WeakPolarHBondContact O-CB 3.41Å; H204-P339 VanDerWaalsContact CE1-CG 3.49Å; H204-P339 WeakPolarHBondContact CE1-CG 3.39Å; H204-P339 WeakPolarHBondContact NE2-CG 3.45Å; P339-F341 PolarHBondContact O-N 3.24Å
340	P	81.4	Confident	73	Confident	59 Å²	59	61.6 Å²	61.6	38%	0.383	31%	0.309	S	S	.	.	S	Bend	trans	-64.2	-24.1	178.3	26.8	-34.9	0	0	0	112.3	D167 F170 Y171	D167-P340 HydrophobicContact CB-CB 4.08Å; D167-P340 HydrophobicContact CB-CG 4.06Å; D167-P340 WeakPolarHBondContact OD1-CB 3.45Å; F170-P340 HydrophobicContact CB-CG 4.31Å; F170-P340 HydrophobicContact CD1-CG 4.07Å; F170-P340 HydrophobicContact CG-CG 4.27Å; Y171-P340 HydrophobicContact CD2-CG 4.31Å; Y171-P340 HydrophobicContact CE2-CG 3.5Å; Y171-P340 VanDerWaalsContact CE2-CG 3.5Å
341	F	73.1	Confident	70.9	Confident	23 Å²	23	58 Å²	58	10%	0.101	28%	0.284	C	S	.	.			trans	-132.7	120.8	175.9	171.8	-100.4	0	0	0	110.4	R156 L157 I161 L199 G203 P339 P343	R156-F341 HydrophobicContact CG-CE1 3.66Å; R156-F341 HydrophobicContact CG-CZ 3.72Å; L157-F341 HydrophobicContact CD2-CB 4.5Å; I161-F341 HydrophobicContact CD1-CD2 3.53Å; I161-F341 HydrophobicContact CD1-CE2 4.02Å; I161-F341 HydrophobicContact CD1-CG 4.2Å; L199-F341 HydrophobicContact CD1-CD1 4.37Å; G203-F341 WeakPolarHBondContact CA-O 3.37Å; P339-F341 PolarHBondContact O-N 3.24Å; F341-P343 HydrophobicContact CD1-CG 4.09Å; F341-P343 HydrophobicContact CE1-CB 3.95Å; F341-P343 HydrophobicContact CE1-CG 3.7Å; F341-P343 HydrophobicContact CZ-CB 4.47Å
342	K	73.2	Confident	68.6	Low	144 Å²	144	59.1 Å²	59.1	63%	0.626	29%	0.286	S	S	*	.			trans	-95.9	116.6	168.6	-176.6	167.1	-175.8	167.3	0	109.8	A344	K342-A344 PolarHBondContact O-N 3.19Å
343	P	66.6	Low	66.6	Low	4 Å²	4	60.3 Å²	60.3	3%	0.026	29%	0.291	C	S	.	.			trans	-61.1	138.5	178.7	-23.1	34.3	0	0	0	110.9	L199 D200 F341 V345	L199-P343 HydrophobicContact CB-CG 4.33Å; L199-P343 HydrophobicContact CD1-CG 4.41Å; D200-P343 WeakPolarHBondContact O-CG 3.43Å; F341-P343 HydrophobicContact CD1-CG 4.09Å; F341-P343 HydrophobicContact CE1-CB 3.95Å; F341-P343 HydrophobicContact CE1-CG 3.7Å; F341-P343 HydrophobicContact CZ-CB 4.47Å; P343-V345 HydrophobicContact CB-CG2 3.92Å; P343-V345 PolarHBondContact O-N 3.37Å
344	A	56.4	Low	64.5	Low	31 Å²	31	58.7 Å²	58.7	26%	0.256	29%	0.286	S	S	.	.			trans	-72.8	80.6	175	0	0	0	0	0	109.3	K342 Y353 V407	K342-A344 PolarHBondContact O-N 3.19Å; A344-Y353 PolarHBondContact O-OH 3.05Å; A344-V407 WeakPolarHBondContact O-CG1 3.09Å
345	V	54.6	Low	62.5	Low	33 Å²	33	54.8 Å²	54.8	20%	0.2	28%	0.278	C	S	.	.			trans	-101.8	110.3	177.1	-169.6	0	0	0	0	109.1	R149 D201 P343 Y353	R149-V345 HydrophobicContact CB-CG1 3.89Å; R149-V345 HydrophobicContact CB-CG2 4Å; R149-V345 HydrophobicContact CG-CG1 4.28Å; R149-V345 VanDerWaalsContact NH1-CG1 3.34Å; D201-V345 HydrophobicContact CB-CB 3.95Å; D201-V345 HydrophobicContact CB-CG1 4.23Å; D201-V345 HydrophobicContact CB-CG2 3.82Å; P343-V345 HydrophobicContact CB-CG2 3.92Å; P343-V345 PolarHBondContact O-N 3.37Å; V345-Y353 HydrophobicContact CG2-CE2 4.39Å
346	T	45.1	Very low	60.2	Low	50 Å²	50	58.4 Å²	58.4	31%	0.307	30%	0.298	S	S	.	.			trans	-103.6	-23.1	-168.1	48.1	0	0	0	0	114.3	V407 A408 V409	T346-V407 HydrophobicContact CG2-CG1 4.24Å; T346-V407 WeakPolarHBondContact OG1-CG1 3.43Å; T346-A408 WeakPolarHBondContact CB-O 3.36Å; T346-A408 PolarHBondContact OG1-O 3.33Å; T346-V409 HydrophobicContact CG2-CB 4.24Å; T346-V409 HydrophobicContact CG2-CG1 3.98Å; T346-V409 HydrophobicContact CG2-CG2 4.15Å
347	R	46.9	Very low	58	Low	45 Å²	45	56.4 Å²	56.4	17%	0.17	29%	0.289	C	S	.	.			trans	-136.5	159.5	173.8	-16.8	164.4	68	74	8.1	114.1	R149 E349 D350 Q401 A408 G410	R149-R347 PolarHBondContact NH1-O 2.89Å; R149-R347 PolarHBondContact NH2-O 2.8Å; R347-E349 PolarHBondContact O-N 2.91Å; R347-D350 WeakPolarHBondContact CB-OD2 3.45Å; R347-D350 WeakPolarHBondContact CD-OD2 3.38Å; R347-D350 WeakPolarHBondContact CG-OD2 3.23Å; R347-Q401 VanDerWaalsContact CZ-OE1 3.27Å; R347-A408 HydrophobicContact CG-CB 4.41Å; R347-G410 PolarHBondContact NH1-O 3.4Å
348	A	47.6	Very low	55.9	Low	33 Å²	33	55.8 Å²	55.8	27%	0.273	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-1.7	-178.7	0	0	0	0	0	116.2	L94 R149 K395	L94-A348 WeakPolarHBondContact CD1-O 3.28Å; L94-A348 WeakPolarHBondContact CG-O 3.48Å; R149-A348 PolarHBondContact NH2-O 2.92Å; A348-K395 HydrophobicContact CB-CD 4.24Å; A348-K395 VanDerWaalsContact CB-NZ 3.27Å
349	E	45.3	Very low	54	Low	33 Å²	33	48.8 Å²	48.8	15%	0.154	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	2.2	-165.9	-44.6	-159.4	155.2	0	0	115.3	R84 L94 R149 R347	R84-E349 IonicContact CZ-OE1 2.74Å; R84-E349 IonicContact CZ-OE2 3.16Å; R84-E349 IonicContact NH1-OE1 2.8Å; R84-E349 PolarHBondContact NH1-OE1 3.33Å; R84-E349 IonicContact NH1-OE2 3Å; R84-E349 IonicContact NH2-OE1 3.09Å; R84-E349 PolarHBondContact NH2-OE1 2.94Å; R84-E349 IonicContact NH2-OE2 3.61Å; R84-E349 PolarHBondContact NH2-OE2 3.43Å; L94-E349 HydrophobicContact CD1-CB 4.42Å; L94-E349 WeakPolarHBondContact CD1-O 3.45Å; R149-E349 VanDerWaalsContact NH2-N 3.14Å; R347-E349 PolarHBondContact O-N 2.91Å
350	D	47.5	Very low	51.9	Low	25 Å²	25	51.9 Å²	51.9	13%	0.134	27%	0.274	C	S	.	.			trans	-106.6	119.2	-159.5	-55.7	-59.9	0	0	0	115.6	F147 R347 F352	F147-D350 WeakPolarHBondContact CE1-O 3.48Å; F147-D350 WeakPolarHBondContact CZ-O 3.2Å; R347-D350 WeakPolarHBondContact CB-OD2 3.45Å; R347-D350 WeakPolarHBondContact CD-OD2 3.38Å; R347-D350 WeakPolarHBondContact CG-OD2 3.23Å; D350-F352 HydrophobicContact CB-CD1 4.2Å; D350-F352 HydrophobicContact CB-CD2 3.09Å; D350-F352 HydrophobicContact CB-CE1 3.99Å; D350-F352 HydrophobicContact CB-CE2 2.9Å; D350-F352 HydrophobicContact CB-CG 3.73Å; D350-F352 HydrophobicContact CB-CZ 3.25Å; D350-F352 PolarHBondContact O-N 3.22Å; D350-F352 WeakPolarHBondContact OD1-CZ 3.38Å; D350-F352 WeakPolarHBondContact OD2-CE2 3.37Å; D350-F352 WeakPolarHBondContact OD2-CZ 3.25Å
351	A	46.4	Very low	50.1	Low	4 Å²	4	55.8 Å²	55.8	3%	0.033	28%	0.281	C	S	.	.			trans	-82.3	65.3	158.8	0	0	0	0	0	111.5	K79 L82 F147 Y353 F354	K79-A351 HydrophobicContact CD-CB 4.11Å; K79-A351 PolarHBondContact NZ-O 3.23Å; L82-A351 HydrophobicContact CD2-CB 3.78Å; F147-A351 HydrophobicContact CE2-CB 3.95Å; F147-A351 HydrophobicContact CZ-CB 3.74Å; A351-Y353 VanDerWaalsContact C-N 3.34Å; A351-F354 HydrophobicContact CB-CB 4.36Å; A351-F354 HydrophobicContact CB-CD2 3.62Å; A351-F354 HydrophobicContact CB-CE2 4.27Å; A351-F354 HydrophobicContact CB-CG 4.19Å
352	F	44	Very low	48.6	Very low	36 Å²	36	60.3 Å²	60.3	16%	0.158	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-27.2	178.4	-77.4	-48.6	0	0	0	114.9	D350 G406 V407 A408	D350-F352 HydrophobicContact CB-CD1 4.2Å; D350-F352 HydrophobicContact CB-CD2 3.09Å; D350-F352 HydrophobicContact CB-CE1 3.99Å; D350-F352 HydrophobicContact CB-CE2 2.9Å; D350-F352 HydrophobicContact CB-CG 3.73Å; D350-F352 HydrophobicContact CB-CZ 3.25Å; D350-F352 PolarHBondContact O-N 3.22Å; D350-F352 WeakPolarHBondContact OD1-CZ 3.38Å; D350-F352 WeakPolarHBondContact OD2-CE2 3.37Å; D350-F352 WeakPolarHBondContact OD2-CZ 3.25Å; F352-G406 WeakPolarHBondContact CD1-O 3.18Å; F352-G406 VanDerWaalsContact CE1-O 3.27Å; F352-G406 WeakPolarHBondContact CE1-O 3.28Å; F352-V407 HydrophobicContact CB-CB 4.42Å; F352-V407 HydrophobicContact CB-CG2 3.61Å; F352-V407 HydrophobicContact CD1-CB 4.27Å; F352-V407 HydrophobicContact CD1-CG2 4.31Å; F352-V407 HydrophobicContact CD2-CB 3.65Å; F352-V407 HydrophobicContact CD2-CG1 3.32Å; F352-V407 HydrophobicContact CD2-CG2 3.62Å; F352-V407 HydrophobicContact CE2-CB 3.93Å; F352-V407 HydrophobicContact CE2-CG1 3.34Å; F352-V407 HydrophobicContact CE2-CG2 4.4Å; F352-V407 HydrophobicContact CG-CB 3.87Å; F352-V407 HydrophobicContact CG-CG1 4.08Å; F352-V407 HydrophobicContact CG-CG2 3.6Å; F352-V407 HydrophobicContact CZ-CG1 4.25Å; F352-A408 HydrophobicContact CE1-CB 3.85Å; F352-A408 HydrophobicContact CE2-CB 3.74Å; F352-A408 VanDerWaalsContact CE2-N 3.35Å; F352-A408 HydrophobicContact CZ-CB 3.06Å
353	Y	51.1	Low	47.6	Very low	26 Å²	26	55.5 Å²	55.5	10%	0.102	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	18.9	-169.6	-54.6	-98.3	0	0	0	112.6	R149 R156 A344 V345 A351 V407	R149-Y353 WeakPolarHBondContact O-CD2 3.27Å; R149-Y353 WeakPolarHBondContact O-CE2 3.31Å; R156-Y353 VanDerWaalsContact CZ-CE1 3.41Å; R156-Y353 VanDerWaalsContact NH2-CE1 3.34Å; A344-Y353 PolarHBondContact O-OH 3.05Å; V345-Y353 HydrophobicContact CG2-CE2 4.39Å; A351-Y353 VanDerWaalsContact C-N 3.34Å; Y353-V407 HydrophobicContact CE1-CG2 4.49Å; Y353-V407 HydrophobicContact CE2-CG2 3.98Å
354	F	46.2	Very low	46.7	Very low	38 Å²	38	65.7 Å²	65.7	17%	0.167	33%	0.332	C	S	.	.	S	Bend	trans	-106.1	142.8	176.7	-68.5	-101.8	0	0	0	109.3	F147 A351 T359	F147-F354 HydrophobicContact CD2-CE2 4.12Å; F147-F354 HydrophobicContact CD2-CZ 4.02Å; F147-F354 AromaticContact CE2-CD2 3.99Å; F147-F354 HydrophobicContact CE2-CD2 3.99Å; F147-F354 AromaticContact CE2-CE2 3.19Å; F147-F354 HydrophobicContact CE2-CE2 3.19Å; F147-F354 AromaticContact CE2-CZ 3.51Å; F147-F354 HydrophobicContact CE2-CZ 3.51Å; F147-F354 HydrophobicContact CZ-CD2 4.34Å; F147-F354 AromaticContact CZ-CE2 3.7Å; F147-F354 HydrophobicContact CZ-CE2 3.7Å; F147-F354 HydrophobicContact CZ-CZ 4.42Å; A351-F354 HydrophobicContact CB-CB 4.36Å; A351-F354 HydrophobicContact CB-CD2 3.62Å; A351-F354 HydrophobicContact CB-CE2 4.27Å; A351-F354 HydrophobicContact CB-CG 4.19Å; F354-T359 HydrophobicContact CB-CG2 3.83Å; F354-T359 WeakPolarHBondContact O-CG2 3.27Å
355	D	46.4	Very low	46.9	Very low	93 Å²	93	67.7 Å²	67.7	50%	0.497	34%	0.338	S	S	.	.			trans	-47.3	138.9	-174.1	-153.6	-45.9	0	0	0	113.4	E357 F358 T359	D355-E357 PolarHBondContact O-N 3.48Å; D355-E357 PolarHBondContact OD1-N 2.67Å; D355-F358 HydrophobicContact CB-CD2 3.59Å; D355-F358 HydrophobicContact CB-CE2 4.03Å; D355-F358 PolarHBondContact O-N 3.24Å; D355-T359 WeakPolarHBondContact O-CG2 3.31Å; D355-T359 PolarHBondContact O-N 2.86Å; D355-T359 PolarHBondContact O-OG1 2.92Å
356	Q	42.3	Very low	47	Very low	158 Å²	158	69.4 Å²	69.4	74%	0.738	35%	0.352	S	S	*	.	H	α-helix	trans	-62.5	-27.4	-178.7	-128.4	174.5	13.2	0	0	112.1	F358 T359 S360	Q356-F358 VanDerWaalsContact C-N 3.28Å; Q356-F358 PolarHBondContact O-N 2.73Å; Q356-T359 WeakPolarHBondContact CA-OG1 3.34Å; Q356-T359 PolarHBondContact O-N 2.94Å; Q356-S360 WeakPolarHBondContact O-CB 3.49Å; Q356-S360 PolarHBondContact O-N 2.83Å; Q356-S360 PolarHBondContact O-OG 2.93Å
357	E	42	Very low	47.6	Very low	101 Å²	101	73.4 Å²	73.4	47%	0.472	38%	0.379	S	S	.	.	H	α-helix	trans	-64.8	-33	175	-159.2	-167.4	153.9	0	0	112.3	D355 R361	D355-E357 PolarHBondContact O-N 3.48Å; D355-E357 PolarHBondContact OD1-N 2.67Å; E357-R361 WeakPolarHBondContact O-CG 3.35Å; E357-R361 PolarHBondContact O-NE 3.23Å; E357-R361 IonicContact OE1-CZ 2.65Å; E357-R361 IonicContact OE1-NH2 2.76Å; E357-R361 PolarHBondContact OE1-NH2 2.6Å
358	F	43.9	Very low	47.9	Very low	33 Å²	33	72.4 Å²	72.4	15%	0.145	38%	0.383	C	S	.	.	H	α-helix	trans	-92.2	-23.1	178.9	-57.7	-65.1	0	0	0	112.8	V80 F81 D355 Q356	V80-F358 HydrophobicContact CB-CB 4.47Å; V80-F358 WeakPolarHBondContact CB-O 3.15Å; V80-F358 WeakPolarHBondContact CG2-O 3.37Å; F81-F358 HydrophobicContact CE2-CB 4.35Å; F81-F358 AromaticContact CE2-CD1 3.84Å; F81-F358 HydrophobicContact CE2-CD1 3.84Å; F81-F358 HydrophobicContact CE2-CE1 4.4Å; F81-F358 HydrophobicContact CE2-CG 4.08Å; D355-F358 HydrophobicContact CB-CD2 3.59Å; D355-F358 HydrophobicContact CB-CE2 4.03Å; D355-F358 PolarHBondContact O-N 3.24Å; Q356-F358 VanDerWaalsContact C-N 3.28Å; Q356-F358 PolarHBondContact O-N 2.73Å
359	T	46.8	Very low	48.1	Very low	32 Å²	32	77.4 Å²	77.4	20%	0.196	40%	0.403	C	S	.	.	H	α-helix	trans	-92.8	-10.8	-178.8	61.1	0	0	0	0	114.4	K79 F354 D355 Q356	K79-T359 HydrophobicContact CD-CG2 3.78Å; F354-T359 HydrophobicContact CB-CG2 3.83Å; F354-T359 WeakPolarHBondContact O-CG2 3.27Å; D355-T359 WeakPolarHBondContact O-CG2 3.31Å; D355-T359 PolarHBondContact O-N 2.86Å; D355-T359 PolarHBondContact O-OG1 2.92Å; Q356-T359 WeakPolarHBondContact CA-OG1 3.34Å; Q356-T359 PolarHBondContact O-N 2.94Å
360	S	43.3	Very low	48.6	Very low	89 Å²	89	79.1 Å²	79.1	62%	0.622	42%	0.418	S	S	*	.	S	Bend	trans	-95.2	-15.5	178.4	59.9	0	0	0	0	115.1	Q356	Q356-S360 WeakPolarHBondContact O-CB 3.49Å; Q356-S360 PolarHBondContact O-N 2.83Å; Q356-S360 PolarHBondContact O-OG 2.93Å
361	R	43.1	Very low	49.2	Very low	141 Å²	141	79 Å²	79	53%	0.532	42%	0.418	S	S	.	.	S	Bend	trans	-77.4	136.9	-180	-64.9	-180	-173.6	-156.9	3	110.8	V80 E357 P363	V80-R361 HydrophobicContact CG2-CB 3.98Å; E357-R361 WeakPolarHBondContact O-CG 3.35Å; E357-R361 PolarHBondContact O-NE 3.23Å; E357-R361 IonicContact OE1-CZ 2.65Å; E357-R361 IonicContact OE1-NH2 2.76Å; E357-R361 PolarHBondContact OE1-NH2 2.6Å; R361-P363 WeakPolarHBondContact O-CD 3.06Å
362	T	41.5	Very low	49.9	Very low	117 Å²	117	82.6 Å²	82.6	72%	0.718	44%	0.443	S	S	*	.			trans	-58.6	122.6	173.7	-45.6	0	0	0	0	108.8	R364	T362-R364 PolarHBondContact O-N 2.93Å
363	P	53.5	Low	50.6	Low	43 Å²	43	84.9 Å²	84.9	28%	0.279	47%	0.469	S	S	.	.			trans	-71.3	110	-178.1	1.1	11.7	0	0	0	108.8	L77 L78 R361	L77-P363 HydrophobicContact CB-CB 4.12Å; L77-P363 HydrophobicContact CD2-CB 3.26Å; L77-P363 HydrophobicContact CG-CB 3.36Å; L78-P363 WeakPolarHBondContact O-CG 3.48Å; R361-P363 WeakPolarHBondContact O-CD 3.06Å
364	R	46.9	Very low	51	Low	219 Å²	219	87.1 Å²	87.1	83%	0.826	49%	0.493	S	S	*	.			trans	-135.7	115.8	169.6	-73.9	-168.4	176.8	-169.2	-0.2	109.5	T362 S366	T362-R364 PolarHBondContact O-N 2.93Å; R364-S366 PolarHBondContact O-N 2.92Å
365	D	61.4	Low	51.5	Low	72 Å²	72	85.4 Å²	85.4	39%	0.385	49%	0.485	S	S	.	.			trans	-78	108.7	168.7	-168.3	16.5	0	0	0	109.3	K140 Y142	K140-D365 IonicContact NZ-OD1 3.94Å; K140-D365 PolarHBondContact NZ-OD1 3.12Å; Y142-D365 PolarHBondContact OH-OD2 2.96Å
366	S	56.7	Low	52.2	Low	69 Å²	69	85.8 Å²	85.8	48%	0.483	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-86.5	140	178.5	43.6	0	0	0	0	111.3	K140 R364 G368	K140-S366 WeakPolarHBondContact CE-O 3.49Å; K140-S366 PolarHBondContact NZ-O 3.47Å; R364-S366 PolarHBondContact O-N 2.92Å; S366-G368 PolarHBondContact O-N 3.18Å
367	P	56.6	Low	53.2	Low	134 Å²	134	85.4 Å²	85.4	87%	0.87	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-52.5	135.3	175.1	-25.9	34.1	0	0	0	112.3
368	G	53.6	Low	54.1	Low	25 Å²	25	83.6 Å²	83.6	26%	0.258	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-97.2	144.8	178.2	0	0	0	0	0	111.9	S366	S366-G368 PolarHBondContact O-N 3.18Å
369	I	51.8	Low	55.2	Low	137 Å²	137	82.1 Å²	82.1	70%	0.703	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-66.8	130.7	176.5	-55.2	171.1	0	0	0	109.1
370	P	56	Low	56.1	Low	70 Å²	70	88 Å²	88	46%	0.455	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-61.7	143.7	176.3	-12.5	22.2	0	0	0	111.3	E138	E138-P370 HydrophobicContact CB-CB 4.32Å; E138-P370 HydrophobicContact CB-CG 4.28Å
371	P	59	Low	57.2	Low	22 Å²	22	84 Å²	84	14%	0.143	46%	0.46	C	S	.	.			trans	-80.1	174.3	174	41	-41.3	0	0	0	110.9	K102 E138 A375	K102-P371 HydrophobicContact CB-CB 4.09Å; K102-P371 HydrophobicContact CB-CG 3.78Å; K102-P371 HydrophobicContact CD-CG 4.01Å; K102-P371 HydrophobicContact CG-CG 4.49Å; E138-P371 WeakPolarHBondContact O-CD 3.37Å; P371-A375 HydrophobicContact CB-CB 3.52Å; P371-A375 HydrophobicContact CG-CB 3.77Å
372	S	61.5	Low	58.7	Low	79 Å²	79	77.3 Å²	77.3	55%	0.552	44%	0.435	S	S	*	.			trans	-58.3	156.1	174.5	58.7	0	0	0	0	112.5	A374 A375 H376	S372-A374 VanDerWaalsContact C-N 3.3Å; S372-A374 PolarHBondContact O-N 2.56Å; S372-A375 WeakPolarHBondContact O-CA 3.29Å; S372-A375 WeakPolarHBondContact O-CB 3.25Å; S372-A375 PolarHBondContact O-N 3.2Å; S372-H376 PolarHBondContact O-N 3.5Å
373	A	59.6	Low	60.4	Low	85 Å²	85	72.5 Å²	72.5	70%	0.702	41%	0.406	S	S	*	.	H	α-helix	trans	-51.5	-43.6	-177.5	0	0	0	0	0	113.6	A375 H376 E377	A373-A375 PolarHBondContact O-N 2.77Å; A373-H376 VanDerWaalsContact O-CB 3.28Å; A373-H376 WeakPolarHBondContact O-CB 3.4Å; A373-H376 PolarHBondContact O-N 2.95Å; A373-E377 PolarHBondContact O-N 2.92Å
374	A	58	Low	61.7	Low	73 Å²	73	71.9 Å²	71.9	60%	0.603	40%	0.399	S	S	*	.	H	α-helix	trans	-61.8	-27.5	176.2	0	0	0	0	0	113.8	S372 H376	S372-A374 VanDerWaalsContact C-N 3.3Å; S372-A374 PolarHBondContact O-N 2.56Å; A374-H376 VanDerWaalsContact C-N 3.35Å
375	A	56.8	Low	62.9	Low	1 Å²	1	63.8 Å²	63.8	1%	0.008	37%	0.372	C	S	.	.	H	α-helix	trans	-75.9	-25.6	174.5	0	0	0	0	0	112.6	P371 S372 A373 F379	P371-A375 HydrophobicContact CB-CB 3.52Å; P371-A375 HydrophobicContact CG-CB 3.77Å; S372-A375 WeakPolarHBondContact O-CA 3.29Å; S372-A375 WeakPolarHBondContact O-CB 3.25Å; S372-A375 PolarHBondContact O-N 3.2Å; A373-A375 PolarHBondContact O-N 2.77Å; A375-F379 WeakPolarHBondContact O-CD2 3.4Å; A375-F379 WeakPolarHBondContact O-CE2 3.41Å
376	H	61	Low	63.5	Low	101 Å²	101	60.6 Å²	60.6	47%	0.468	36%	0.355	S	S	.	.	H	α-helix	trans	-71.6	-40.6	179.3	-164.8	89.9	0	0	0	111.1	S372 A373 A374 L378 F379	S372-H376 PolarHBondContact O-N 3.5Å; A373-H376 VanDerWaalsContact O-CB 3.28Å; A373-H376 WeakPolarHBondContact O-CB 3.4Å; A373-H376 PolarHBondContact O-N 2.95Å; A374-H376 VanDerWaalsContact C-N 3.35Å; H376-L378 VanDerWaalsContact C-N 3.31Å; H376-L378 PolarHBondContact O-N 3.42Å; H376-F379 PolarHBondContact O-N 3.01Å
377	E	65	Low	63.8	Low	151 Å²	151	62.5 Å²	62.5	71%	0.706	37%	0.366	S	S	*	.	H	α-helix	trans	-60	-37.3	177.4	-70.6	-178.4	167.6	0	0	113	A373 F379 R380	A373-E377 PolarHBondContact O-N 2.92Å; E377-F379 PolarHBondContact O-N 2.77Å; E377-F379 VanDerWaalsContact O-N 3.09Å; E377-R380 VanDerWaalsContact O-CB 3.3Å; E377-R380 WeakPolarHBondContact O-CB 3.39Å; E377-R380 PolarHBondContact O-N 2.99Å
378	L	61	Low	64	Low	63 Å²	63	61.2 Å²	61.2	33%	0.33	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.1	-177.9	-152.9	109.1	0	0	0	113.1	R110 K114 H376	R110-L378 HydrophobicContact CB-CD2 3.41Å; R110-L378 VanDerWaalsContact CB-CD2 3.41Å; R110-L378 HydrophobicContact CG-CD2 4.47Å; K114-L378 PolarHBondContact NZ-O 2.89Å; K114-L378 VanDerWaalsContact NZ-O 3.16Å; H376-L378 VanDerWaalsContact C-N 3.31Å; H376-L378 PolarHBondContact O-N 3.42Å
379	F	66.3	Low	63.9	Low	2 Å²	2	61.3 Å²	61.3	1%	0.009	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	11	-179.1	-57	-62	0	0	0	113.8	K102 L105 R110 Q136 L141 A375 H376 E377 G381 F382	K102-F379 HydrophobicContact CD-CD2 4.17Å; K102-F379 HydrophobicContact CD-CE2 4.3Å; K102-F379 HydrophobicContact CG-CD2 4.35Å; K102-F379 HydrophobicContact CG-CE2 4.02Å; L105-F379 HydrophobicContact CD1-CZ 4.13Å; R110-F379 HydrophobicContact CB-CE1 4.09Å; R110-F379 HydrophobicContact CB-CZ 3.74Å; R110-F379 HydrophobicContact CG-CE2 4.49Å; R110-F379 HydrophobicContact CG-CZ 3.74Å; Q136-F379 PolarHBondContact NE2-O 2.92Å; L141-F379 HydrophobicContact CD1-CD1 3.69Å; L141-F379 HydrophobicContact CD1-CE1 3.4Å; L141-F379 HydrophobicContact CD1-CG 4.37Å; L141-F379 HydrophobicContact CD1-CZ 3.83Å; L141-F379 HydrophobicContact CD2-CB 4.25Å; L141-F379 HydrophobicContact CD2-CD1 3.96Å; L141-F379 HydrophobicContact CD2-CD2 4.5Å; L141-F379 HydrophobicContact CD2-CE1 4.47Å; L141-F379 HydrophobicContact CD2-CG 3.98Å; L141-F379 HydrophobicContact CG-CD1 4.43Å; L141-F379 HydrophobicContact CG-CE1 4.46Å; A375-F379 WeakPolarHBondContact O-CD2 3.4Å; A375-F379 WeakPolarHBondContact O-CE2 3.41Å; H376-F379 PolarHBondContact O-N 3.01Å; E377-F379 PolarHBondContact O-N 2.77Å; E377-F379 VanDerWaalsContact O-N 3.09Å; F379-G381 PolarHBondContact O-N 2.81Å; F379-F382 WeakPolarHBondContact O-CB 3.34Å; F379-F382 PolarHBondContact O-N 2.8Å
380	R	66.2	Low	63.6	Low	155 Å²	155	59.1 Å²	59.1	59%	0.585	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	133.9	168.7	-162.9	173	-178.7	-147.3	-9.6	109.5	E58 E377	E58-R380 IonicContact OE1-CZ 2.88Å; E58-R380 IonicContact OE1-NH1 3.85Å; E58-R380 PolarHBondContact OE1-NH1 2.75Å; E58-R380 IonicContact OE1-NH2 2.71Å; E58-R380 PolarHBondContact OE1-NH2 2.94Å; E377-R380 VanDerWaalsContact O-CB 3.3Å; E377-R380 WeakPolarHBondContact O-CB 3.39Å; E377-R380 PolarHBondContact O-N 2.99Å
381	G	64.9	Low	62.8	Low	5 Å²	5	62.4 Å²	62.4	5%	0.052	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	22.9	-177.9	0	0	0	0	0	115.7	V59 R117 F379 S383	V59-G381 VanDerWaalsContact O-CA 3.24Å; V59-G381 WeakPolarHBondContact O-CA 3.33Å; R117-G381 PolarHBondContact NH2-O 2.65Å; F379-G381 PolarHBondContact O-N 2.81Å; G381-S383 VanDerWaalsContact C-N 3.34Å
382	F	75.4	Confident	61.6	Low	1 Å²	1	67.4 Å²	67.4	0%	0.004	37%	0.37	C	S	.	.			trans	-73.7	-23.8	177.3	-169.2	-95.6	0	0	0	113.4	T113 R117 A134 F135 Q136 L141 Y142 L143 F379	T113-F382 HydrophobicContact CG2-CE2 4.22Å; R117-F382 HydrophobicContact CB-CE2 4.08Å; R117-F382 HydrophobicContact CG-CD2 4.46Å; R117-F382 HydrophobicContact CG-CE2 4.15Å; R117-F382 HydrophobicContact CG-CZ 4.43Å; A134-F382 HydrophobicContact CB-CD1 4.14Å; A134-F382 HydrophobicContact CB-CE1 3.87Å; A134-F382 HydrophobicContact CB-CZ 4.44Å; A134-F382 VanDerWaalsContact CB-O 3.3Å; A134-F382 WeakPolarHBondContact CB-O 3.45Å; F135-F382 WeakPolarHBondContact O-CD1 3.36Å; F135-F382 VanDerWaalsContact O-CE1 3.31Å; F135-F382 WeakPolarHBondContact O-CE1 3.38Å; Q136-F382 HydrophobicContact CB-CD1 4.31Å; L141-F382 HydrophobicContact CB-CE1 3.97Å; L141-F382 HydrophobicContact CB-CE2 4.45Å; L141-F382 HydrophobicContact CB-CZ 3.81Å; L141-F382 HydrophobicContact CD1-CE2 4.15Å; L141-F382 HydrophobicContact CD1-CZ 4.33Å; L141-F382 HydrophobicContact CD2-CD1 4.01Å; L141-F382 HydrophobicContact CD2-CD2 4.15Å; L141-F382 HydrophobicContact CD2-CE1 4.06Å; L141-F382 HydrophobicContact CD2-CE2 4.22Å; L141-F382 HydrophobicContact CD2-CG 4.05Å; L141-F382 HydrophobicContact CD2-CZ 4.17Å; L141-F382 HydrophobicContact CG-CZ 4.32Å; Y142-F382 WeakPolarHBondContact O-CE1 3.4Å; L143-F382 HydrophobicContact CD2-CE1 4.05Å; L143-F382 HydrophobicContact CD2-CE2 4.4Å; L143-F382 HydrophobicContact CD2-CZ 3.55Å; L143-F382 HydrophobicContact CG-CZ 4.19Å; F379-F382 WeakPolarHBondContact O-CB 3.34Å; F379-F382 PolarHBondContact O-N 2.8Å
383	S	77.8	Confident	60.4	Low	16 Å²	16	66.9 Å²	66.9	11%	0.112	38%	0.377	C	S	.	.			trans	-67.6	136.8	-174.2	-34	0	0	0	0	112.1	D61 A134 G381	D61-S383 WeakPolarHBondContact OD1-CB 3.43Å; D61-S383 PolarHBondContact OD1-OG 2.58Å; A134-S383 CarbonylContact O-C 3.48Å; A134-S383 WeakPolarHBondContact O-CA 3.38Å; G381-S383 VanDerWaalsContact C-N 3.34Å
384	F	79.9	Confident	59.2	Low	30 Å²	30	71.9 Å²	71.9	13%	0.132	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	144.9	-179.5	172.3	-96.3	0	0	0	111.2	A121 L131 Y133 A134 A386	A121-F384 HydrophobicContact CB-CD2 4.27Å; A121-F384 HydrophobicContact CB-CE2 4.02Å; A121-F384 HydrophobicContact CB-CZ 4.3Å; L131-F384 HydrophobicContact CB-CE1 4.47Å; L131-F384 HydrophobicContact CD2-CD1 3.8Å; L131-F384 HydrophobicContact CD2-CE1 4.1Å; L131-F384 HydrophobicContact CD2-CG 4.43Å; L131-F384 HydrophobicContact CG-CD1 3.93Å; L131-F384 HydrophobicContact CG-CE1 4.05Å; L131-F384 WeakPolarHBondContact O-CE1 3.46Å; Y133-F384 CarbonylContact C-O 3.56Å; Y133-F384 VanDerWaalsContact CA-O 3.28Å; Y133-F384 WeakPolarHBondContact CA-O 3.38Å; A134-F384 HydrophobicContact CB-CB 3.95Å; A134-F384 PolarHBondContact N-O 2.85Å; A134-F384 PolarHBondContact O-N 2.89Å; F384-A386 HydrophobicContact CE1-CB 4.06Å; F384-A386 HydrophobicContact CZ-CB 4.28Å
385	I	73.1	Confident	58.1	Low	49 Å²	49	75.4 Å²	75.4	25%	0.251	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	127.9	170.1	-55.6	-178.4	0	0	0	108.1	T63 E68 H132 Y133	T63-I385 HydrophobicContact CG2-CD1 4.36Å; E68-I385 VanDerWaalsContact O-CD1 3.26Å; E68-I385 WeakPolarHBondContact O-CD1 3.21Å; H132-I385 WeakPolarHBondContact O-CA 3.44Å; Y133-I385 HydrophobicContact CD1-CB 4.41Å; Y133-I385 HydrophobicContact CD1-CG1 3.96Å; Y133-I385 HydrophobicContact CD1-CG2 4.18Å; Y133-I385 HydrophobicContact CE1-CB 4.45Å; Y133-I385 HydrophobicContact CE1-CD1 4.48Å; Y133-I385 HydrophobicContact CE1-CG1 4.19Å; Y133-I385 HydrophobicContact CE1-CG2 3.75Å
386	A	74	Confident	57.1	Low	4 Å²	4	79.4 Å²	79.4	3%	0.033	42%	0.418	C	S	.	.			trans	-65.5	136.4	-179	0	0	0	0	0	112	H132 F384 Q388 L389	H132-A386 PolarHBondContact O-N 3.42Å; F384-A386 HydrophobicContact CE1-CB 4.06Å; F384-A386 HydrophobicContact CZ-CB 4.28Å; A386-Q388 HydrophobicContact CB-CG 4.28Å; A386-Q388 PolarHBondContact O-N 3.21Å; A386-L389 HydrophobicContact CB-CD1 3.95Å; A386-L389 HydrophobicContact CB-CG 4.44Å; A386-L389 PolarHBondContact O-N 2.82Å
387	P	62.3	Low	56	Low	109 Å²	109	80.7 Å²	80.7	71%	0.708	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.4	-177	-27.3	34.3	0	0	0	115.7
388	Q	60.2	Low	54.8	Low	108 Å²	108	76.4 Å²	76.4	51%	0.505	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-10.8	-173.3	62.4	-162.3	-13.2	0	0	115	A386 M390	A386-Q388 HydrophobicContact CB-CG 4.28Å; A386-Q388 PolarHBondContact O-N 3.21Å; Q388-M390 PolarHBondContact O-N 3.13Å
389	L	53	Low	53.6	Low	27 Å²	27	76.4 Å²	76.4	14%	0.141	43%	0.429	C	S	.	.			trans	-83.3	37.7	-177.9	-64.6	162.9	0	0	0	112.2	K89 D90 Y95 H132 Y133 A386	K89-L389 WeakPolarHBondContact CB-O 3.38Å; D90-L389 HydrophobicContact CB-CD2 3.93Å; Y95-L389 WeakPolarHBondContact OH-CD2 3.42Å; H132-L389 HydrophobicContact CB-CD1 3.79Å; Y133-L389 HydrophobicContact CD2-CD1 4.36Å; Y133-L389 HydrophobicContact CE1-CD1 4.42Å; Y133-L389 HydrophobicContact CE2-CD1 3.6Å; A386-L389 HydrophobicContact CB-CD1 3.95Å; A386-L389 HydrophobicContact CB-CG 4.44Å; A386-L389 PolarHBondContact O-N 2.82Å
390	M	45.5	Very low	52.4	Low	91 Å²	91	84.9 Å²	84.9	45%	0.448	47%	0.466	S	S	.	.			trans	-113.2	43.1	-174	-67	-163.4	173.1	0	0	113.4	F67 K89 Q388	F67-M390 HydrophobicContact CD1-CE 4.22Å; F67-M390 HydrophobicContact CE1-CE 3.84Å; F67-M390 HydrophobicContact CZ-CE 4.17Å; K89-M390 VanDerWaalsContact CD-CA 3.47Å; K89-M390 PolarHBondContact NZ-O 2.96Å; Q388-M390 PolarHBondContact O-N 3.13Å
391	D	38.1	Very low	51.7	Low	139 Å²	139	79.3 Å²	79.3	74%	0.743	45%	0.446	S	S	*	.			trans	-160.5	153.4	148.8	-123.1	-5.9	0	0	0	117.8	K89	K89-D391 IonicContact NZ-OD1 3.43Å
392	D	34.6	Very low	50.9	Low	126 Å²	126	79.3 Å²	79.3	67%	0.674	45%	0.445	S	S	*	.			trans	-91.9	145.8	-160.3	-72.4	-36.9	0	0	0	119.3	K89	K89-D392 WeakPolarHBondContact CA-OD1 3.45Å
393	G	34.9	Very low	49.6	Very low	69 Å²	69	85.9 Å²	85.9	71%	0.711	47%	0.474	S	S	*	.			trans	160	129.9	153.3	0	0	0	0	0	119.9
394	K	34.9	Very low	48.4	Very low	190 Å²	190	85.5 Å²	85.5	83%	0.826	47%	0.471	S	S	*	.			trans	-101.5	169.1	-152.5	-68.1	176.1	174	174.1	0	120.7
395	K	34.6	Very low	46.6	Very low	147 Å²	147	86.3 Å²	86.3	64%	0.639	48%	0.475	S	S	*	.			trans	-125.1	-178.4	-176.6	-88.9	176.4	178.7	159.5	0	116.2	A348	A348-K395 HydrophobicContact CB-CD 4.24Å; A348-K395 VanDerWaalsContact CB-NZ 3.27Å
396	A	36.3	Very low	45	Very low	85 Å²	85	85.7 Å²	85.7	70%	0.702	48%	0.48	S	S	*	.			trans	-126.1	175	-178.8	0	0	0	0	0	115.6
397	T	39.2	Very low	43.3	Very low	127 Å²	127	85.6 Å²	85.6	78%	0.779	48%	0.479	S	S	*	.			trans	-119.7	171.2	-164.3	40.5	0	0	0	0	118.7
398	S	39	Very low	42.9	Very low	62 Å²	62	80.5 Å²	80.5	43%	0.434	45%	0.446	S	S	.	.			trans	-127.3	165.5	-151.9	178.6	0	0	0	0	119.2
399	A	34.9	Very low	43	Very low	63 Å²	63	75.8 Å²	75.8	52%	0.521	43%	0.425	S	S	.	.			trans	-144	-180	168.9	0	0	0	0	0	113.6	P412	A399-P412 VanDerWaalsContact C-CB 3.5Å; A399-P412 HydrophobicContact CB-CB 4.28Å; A399-P412 WeakPolarHBondContact O-CB 3.1Å; A399-P412 VanDerWaalsContact O-CG 3.31Å; A399-P412 WeakPolarHBondContact O-CG 3.34Å
400	K	41.3	Very low	43.7	Very low	180 Å²	180	74.6 Å²	74.6	78%	0.783	42%	0.419	S	S	*	.			trans	-67.8	156.1	-163.8	-72.3	175.8	179.5	171.5	0	118.3
401	Q	51.7	Low	45.1	Very low	37 Å²	37	72.9 Å²	72.9	17%	0.173	41%	0.409	C	S	.	.			trans	-160.6	146.7	-130.7	-165	106.2	111.9	0	0	117.3	R347 A408 G410 E481	R347-Q401 VanDerWaalsContact CZ-OE1 3.27Å; Q401-A408 HydrophobicContact CB-CB 4.3Å; Q401-A408 VanDerWaalsContact CD-CB 3.45Å; Q401-A408 HydrophobicContact CG-CB 3.02Å; Q401-G410 PolarHBondContact NE2-O 3.14Å; Q401-E481 WeakPolarHBondContact CA-OE1 3.15Å; Q401-E481 VanDerWaalsContact CA-OE2 3.23Å; Q401-E481 WeakPolarHBondContact CA-OE2 3.42Å; Q401-E481 WeakPolarHBondContact CB-OE1 3.42Å; Q401-E481 VanDerWaalsContact CD-OE1 3.28Å; Q401-E481 WeakPolarHBondContact CG-OE1 3.41Å; Q401-E481 PolarHBondContact NE2-OE1 2.9Å
402	L	47.4	Very low	46.7	Very low	6 Å²	6	67.1 Å²	67.1	3%	0.031	38%	0.379	C	S	.	.			trans	-86.3	123.9	-170.5	-167.1	83.7	0	0	0	109.4	A408 V409 R452 P457 E481 V486	L402-A408 CarbonylContact O-C 3.51Å; L402-A408 WeakPolarHBondContact O-CA 3.35Å; L402-V409 PolarHBondContact O-N 3.46Å; L402-R452 VanDerWaalsContact N-NH2 3.17Å; L402-P457 HydrophobicContact CD1-CG 4.1Å; L402-P457 HydrophobicContact CD2-CG 4.07Å; L402-E481 WeakPolarHBondContact CA-OE2 3.27Å; L402-E481 WeakPolarHBondContact CB-OE2 3.4Å; L402-E481 PolarHBondContact N-OE1 3.22Å; L402-E481 PolarHBondContact N-OE2 3.41Å; L402-V486 HydrophobicContact CB-CG2 4.46Å; L402-V486 HydrophobicContact CD1-CG2 3.38Å; L402-V486 HydrophobicContact CD2-CB 4.48Å; L402-V486 HydrophobicContact CD2-CG1 3.86Å; L402-V486 HydrophobicContact CD2-CG2 3.79Å; L402-V486 HydrophobicContact CG-CG2 4.05Å
403	K	49.9	Very low	48.6	Very low	138 Å²	138	63.9 Å²	63.9	60%	0.6	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	116.3	-169.3	-65.5	-176.7	-176.3	-179.2	0	112.2	V407	K403-V407 CarbonylContact C-O 3.56Å; K403-V407 WeakPolarHBondContact CA-O 3.28Å
404	I	51	Low	50.8	Low	9 Å²	9	63.2 Å²	63.2	5%	0.046	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.1	171	-59.4	177	0	0	0	107.3	G406 V407 V409 V461 D462	I404-G406 PolarHBondContact O-N 2.54Å; I404-G406 VanDerWaalsContact O-N 3.09Å; I404-V407 PolarHBondContact N-O 3.25Å; I404-V407 WeakPolarHBondContact O-CB 3.44Å; I404-V407 PolarHBondContact O-N 3.05Å; I404-V409 HydrophobicContact CB-CG2 3.73Å; I404-V409 HydrophobicContact CD1-CB 4.16Å; I404-V409 HydrophobicContact CD1-CG1 4.43Å; I404-V409 HydrophobicContact CD1-CG2 3.71Å; I404-V409 HydrophobicContact CG1-CG2 3.82Å; I404-V461 HydrophobicContact CD1-CB 3.24Å; I404-V461 HydrophobicContact CD1-CG1 3.13Å; I404-V461 HydrophobicContact CD1-CG2 4.35Å; I404-D462 HydrophobicContact CG2-CB 3.69Å
405	Q	42.1	Very low	53.4	Low	47 Å²	47	54.3 Å²	54.3	22%	0.22	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.6	35.3	-171.6	-56.5	159.5	14.6	0	0	112	D462	Q405-D462 PolarHBondContact NE2-OD1 3.08Å; Q405-D462 PolarHBondContact NE2-OD2 2.89Å
406	G	40.6	Very low	56	Low	36 Å²	36	50.4 Å²	50.4	37%	0.371	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	-14.8	-177.7	0	0	0	0	0	115.8	F352 I404	F352-G406 WeakPolarHBondContact CD1-O 3.18Å; F352-G406 VanDerWaalsContact CE1-O 3.27Å; F352-G406 WeakPolarHBondContact CE1-O 3.28Å; I404-G406 PolarHBondContact O-N 2.54Å; I404-G406 VanDerWaalsContact O-N 3.09Å
407	V	38.3	Very low	58.3	Low	1 Å²	1	50.6 Å²	50.6	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	125.4	-169.7	179.8	0	0	0	0	113.1	A344 T346 F352 Y353 K403 I404 V409	A344-V407 WeakPolarHBondContact O-CG1 3.09Å; T346-V407 HydrophobicContact CG2-CG1 4.24Å; T346-V407 WeakPolarHBondContact OG1-CG1 3.43Å; F352-V407 HydrophobicContact CB-CB 4.42Å; F352-V407 HydrophobicContact CB-CG2 3.61Å; F352-V407 HydrophobicContact CD1-CB 4.27Å; F352-V407 HydrophobicContact CD1-CG2 4.31Å; F352-V407 HydrophobicContact CD2-CB 3.65Å; F352-V407 HydrophobicContact CD2-CG1 3.32Å; F352-V407 HydrophobicContact CD2-CG2 3.62Å; F352-V407 HydrophobicContact CE2-CB 3.93Å; F352-V407 HydrophobicContact CE2-CG1 3.34Å; F352-V407 HydrophobicContact CE2-CG2 4.4Å; F352-V407 HydrophobicContact CG-CB 3.87Å; F352-V407 HydrophobicContact CG-CG1 4.08Å; F352-V407 HydrophobicContact CG-CG2 3.6Å; F352-V407 HydrophobicContact CZ-CG1 4.25Å; Y353-V407 HydrophobicContact CE1-CG2 4.49Å; Y353-V407 HydrophobicContact CE2-CG2 3.98Å; K403-V407 CarbonylContact C-O 3.56Å; K403-V407 WeakPolarHBondContact CA-O 3.28Å; I404-V407 PolarHBondContact N-O 3.25Å; I404-V407 WeakPolarHBondContact O-CB 3.44Å; I404-V407 PolarHBondContact O-N 3.05Å; V407-V409 HydrophobicContact CG1-CG2 4.37Å; V407-V409 WeakPolarHBondContact O-CG2 3.29Å; V407-V409 PolarHBondContact O-N 2.81Å
408	A	54.1	Low	60.6	Low	2 Å²	2	46.9 Å²	46.9	2%	0.017	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	92.5	165.7	0	0	0	0	0	113.9	T346 R347 F352 Q401 L402	T346-A408 WeakPolarHBondContact CB-O 3.36Å; T346-A408 PolarHBondContact OG1-O 3.33Å; R347-A408 HydrophobicContact CG-CB 4.41Å; F352-A408 HydrophobicContact CE1-CB 3.85Å; F352-A408 HydrophobicContact CE2-CB 3.74Å; F352-A408 VanDerWaalsContact CE2-N 3.35Å; F352-A408 HydrophobicContact CZ-CB 3.06Å; Q401-A408 HydrophobicContact CB-CB 4.3Å; Q401-A408 VanDerWaalsContact CD-CB 3.45Å; Q401-A408 HydrophobicContact CG-CB 3.02Å; L402-A408 CarbonylContact O-C 3.51Å; L402-A408 WeakPolarHBondContact O-CA 3.35Å
409	V	62.6	Low	63.1	Low	10 Å²	10	44.2 Å²	44.2	6%	0.061	24%	0.242	C	C	.	.			trans	-82.1	-27.5	-173.8	-180	0	0	0	0	112.8	T346 L402 I404 V407 V461 L465 I479	T346-V409 HydrophobicContact CG2-CB 4.24Å; T346-V409 HydrophobicContact CG2-CG1 3.98Å; T346-V409 HydrophobicContact CG2-CG2 4.15Å; L402-V409 PolarHBondContact O-N 3.46Å; I404-V409 HydrophobicContact CB-CG2 3.73Å; I404-V409 HydrophobicContact CD1-CB 4.16Å; I404-V409 HydrophobicContact CD1-CG1 4.43Å; I404-V409 HydrophobicContact CD1-CG2 3.71Å; I404-V409 HydrophobicContact CG1-CG2 3.82Å; V407-V409 HydrophobicContact CG1-CG2 4.37Å; V407-V409 WeakPolarHBondContact O-CG2 3.29Å; V407-V409 PolarHBondContact O-N 2.81Å; V409-V461 HydrophobicContact CB-CG1 4.45Å; V409-V461 HydrophobicContact CG1-CG1 3.73Å; V409-L465 HydrophobicContact CG1-CD1 3.78Å; V409-L465 HydrophobicContact CG1-CD2 4.45Å; V409-L465 HydrophobicContact CG1-CG 4.48Å; V409-L465 HydrophobicContact CG2-CD1 4.21Å; V409-I479 HydrophobicContact CG1-CB 4.35Å; V409-I479 HydrophobicContact CG1-CD1 3.14Å; V409-I479 HydrophobicContact CG1-CG1 4.29Å; V409-I479 HydrophobicContact CG1-CG2 4.23Å
410	G	66.8	Low	66	Low	1 Å²	1	45.1 Å²	45.1	1%	0.01	24%	0.236	C	C	.	.	S	Bend	trans	-94.3	151.3	-177.1	0	0	0	0	0	114.7	R347 Q401 I479 E481	R347-G410 PolarHBondContact NH1-O 3.4Å; Q401-G410 PolarHBondContact NE2-O 3.14Å; G410-I479 CarbonylContact C-O 3.29Å; G410-I479 VanDerWaalsContact CA-O 3.28Å; G410-I479 WeakPolarHBondContact CA-O 3.32Å; G410-E481 PolarHBondContact N-OE1 3.18Å; G410-E481 VanDerWaalsContact O-OE1 3.08Å
411	K	74.2	Confident	68.5	Low	55 Å²	55	38.7 Å²	38.7	24%	0.239	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-69.2	123.6	163.9	-59.7	173.7	-179.7	174.1	0	108.7	I413 E418 D478 I479 F480 E481	K411-I413 HydrophobicContact CB-CD1 4.4Å; K411-I413 HydrophobicContact CB-CG1 3.97Å; K411-I413 PolarHBondContact O-N 3.44Å; K411-E418 IonicContact NZ-OE1 3.63Å; K411-E418 PolarHBondContact NZ-OE1 2.93Å; K411-E418 IonicContact NZ-OE2 3.69Å; K411-E418 PolarHBondContact NZ-OE2 3.43Å; K411-D478 WeakPolarHBondContact CE-OD1 3.22Å; K411-D478 VanDerWaalsContact NZ-CG 3.33Å; K411-D478 IonicContact NZ-OD1 2.71Å; K411-D478 PolarHBondContact NZ-OD1 3.3Å; K411-D478 IonicContact NZ-OD2 3.79Å; K411-D478 PolarHBondContact NZ-OD2 2.89Å; K411-I479 PolarHBondContact N-O 3.13Å; K411-F480 HydrophobicContact CB-CD1 3.69Å; K411-F480 HydrophobicContact CB-CE1 4.05Å; K411-F480 HydrophobicContact CB-CG 4.3Å; K411-F480 HydrophobicContact CD-CD1 4Å; K411-F480 HydrophobicContact CD-CE1 3.5Å; K411-F480 VanDerWaalsContact CD-CE1 3.5Å; K411-F480 HydrophobicContact CD-CE2 4.43Å; K411-F480 HydrophobicContact CD-CZ 3.74Å; K411-F480 HydrophobicContact CG-CD1 4.4Å; K411-F480 HydrophobicContact CG-CE1 4.37Å; K411-F480 WeakPolarHBondContact O-CA 3.3Å; K411-E481 PolarHBondContact O-N 2.95Å
412	P	72.9	Confident	70.5	Confident	19 Å²	19	39.6 Å²	39.6	12%	0.123	21%	0.213	C	C	.	.	S	Bend	trans	-86	40.8	-178.4	38.4	-31.3	0	0	0	109.6	A399	A399-P412 VanDerWaalsContact C-CB 3.5Å; A399-P412 HydrophobicContact CB-CB 4.28Å; A399-P412 WeakPolarHBondContact O-CB 3.1Å; A399-P412 VanDerWaalsContact O-CG 3.31Å; A399-P412 WeakPolarHBondContact O-CG 3.34Å
413	I	73.2	Confident	72.8	Confident	57 Å²	57	43.7 Å²	43.7	29%	0.292	23%	0.232	S	C	.	.	S	Bend	trans	-119.7	150.5	173.8	64.5	-177.8	0	0	0	105	K411 I415 T417 F480	K411-I413 HydrophobicContact CB-CD1 4.4Å; K411-I413 HydrophobicContact CB-CG1 3.97Å; K411-I413 PolarHBondContact O-N 3.44Å; I413-I415 PolarHBondContact O-N 3.44Å; I413-T417 HydrophobicContact CD1-CG2 4.22Å; I413-F480 HydrophobicContact CD1-CE1 4.07Å; I413-F480 HydrophobicContact CG1-CD1 3.84Å; I413-F480 HydrophobicContact CG1-CE1 3.9Å
414	S	82.9	Confident	74.9	Confident	56 Å²	56	42.6 Å²	42.6	39%	0.392	23%	0.229	S	C	.	.			trans	-53	132.1	170.9	-179.7	0	0	0	0	109.1	T416 T417	S414-T416 PolarHBondContact O-N 3.31Å; S414-T416 PolarHBondContact OG-N 2.8Å; S414-T416 PolarHBondContact OG-OG1 2.96Å; S414-T417 VanDerWaalsContact O-CB 3.23Å; S414-T417 WeakPolarHBondContact O-CB 3.16Å; S414-T417 PolarHBondContact O-N 2.95Å; S414-T417 PolarHBondContact O-OG1 2.93Å
415	I	88.8	Confident	76.8	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.01	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-52.7	-28.7	171	-175	166.8	0	0	0	111.4	I413 T417 E418 Y419 L421 V447 F480 Y487 V489	I413-I415 PolarHBondContact O-N 3.44Å; I415-T417 PolarHBondContact O-N 3.4Å; I415-T417 VanDerWaalsContact O-N 3.09Å; I415-E418 PolarHBondContact O-N 3.34Å; I415-E418 VanDerWaalsContact O-N 3.11Å; I415-Y419 HydrophobicContact CG1-CD2 4.06Å; I415-Y419 HydrophobicContact CG1-CG 4.32Å; I415-Y419 PolarHBondContact O-N 2.92Å; I415-L421 HydrophobicContact CD1-CD2 4.28Å; I415-L421 HydrophobicContact CG2-CD1 4.35Å; I415-L421 HydrophobicContact CG2-CD2 4.39Å; I415-V447 HydrophobicContact CD1-CB 4.15Å; I415-V447 HydrophobicContact CD1-CG1 4.46Å; I415-V447 HydrophobicContact CD1-CG2 3.59Å; I415-F480 HydrophobicContact CB-CB 4.1Å; I415-F480 HydrophobicContact CB-CD1 4.3Å; I415-F480 HydrophobicContact CB-CD2 4.18Å; I415-F480 HydrophobicContact CB-CG 3.95Å; I415-F480 HydrophobicContact CD1-CD2 4.08Å; I415-F480 HydrophobicContact CD1-CE2 4.49Å; I415-F480 HydrophobicContact CG1-CD2 3.86Å; I415-F480 HydrophobicContact CG1-CE2 4.09Å; I415-F480 HydrophobicContact CG1-CG 4.15Å; I415-Y487 HydrophobicContact CB-CD1 4.31Å; I415-Y487 HydrophobicContact CB-CG 4.32Å; I415-Y487 HydrophobicContact CD1-CD1 4.15Å; I415-Y487 HydrophobicContact CD1-CG 4.27Å; I415-Y487 HydrophobicContact CG2-CD1 3.81Å; I415-Y487 HydrophobicContact CG2-CE1 3.85Å; I415-Y487 HydrophobicContact CG2-CG 4.27Å; I415-V489 HydrophobicContact CD1-CG2 3.9Å
416	T	88.1	Confident	78.9	Confident	66 Å²	66	44.8 Å²	44.8	41%	0.405	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-64.3	-14	179.5	64	0	0	0	0	114.2	S414 Y419 R439	S414-T416 PolarHBondContact O-N 3.31Å; S414-T416 PolarHBondContact OG-N 2.8Å; S414-T416 PolarHBondContact OG-OG1 2.96Å; T416-Y419 CarbonylContact C-O 3.57Å; T416-Y419 WeakPolarHBondContact CA-O 3.34Å; T416-R439 PolarHBondContact O-NE 3.05Å; T416-R439 PolarHBondContact O-NH2 2.84Å
417	T	85.5	Confident	81	Confident	88 Å²	88	47.8 Å²	47.8	54%	0.54	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-66	-40.7	173.1	-56.7	0	0	0	0	111.4	I413 S414 I415	I413-T417 HydrophobicContact CD1-CG2 4.22Å; S414-T417 VanDerWaalsContact O-CB 3.23Å; S414-T417 WeakPolarHBondContact O-CB 3.16Å; S414-T417 PolarHBondContact O-N 2.95Å; S414-T417 PolarHBondContact O-OG1 2.93Å; I415-T417 PolarHBondContact O-N 3.4Å; I415-T417 VanDerWaalsContact O-N 3.09Å
418	E	87.4	Confident	82.7	Confident	49 Å²	49	49.2 Å²	49.2	23%	0.229	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	-27.6	-175.1	-68.6	-178.2	-155.6	0	0	112.7	K411 I415 H438 R439 F480	K411-E418 IonicContact NZ-OE1 3.63Å; K411-E418 PolarHBondContact NZ-OE1 2.93Å; K411-E418 IonicContact NZ-OE2 3.69Å; K411-E418 PolarHBondContact NZ-OE2 3.43Å; I415-E418 PolarHBondContact O-N 3.34Å; I415-E418 VanDerWaalsContact O-N 3.11Å; E418-H438 PolarHBondContact O-CD2 3.43Å; E418-H438 VanDerWaalsContact O-CD2 3.28Å; E418-R439 WeakPolarHBondContact O-CB 3.24Å; E418-R439 WeakPolarHBondContact O-CG 3.29Å; E418-R439 PolarHBondContact O-N 3.46Å; E418-F480 HydrophobicContact CB-CE1 4.28Å; E418-F480 HydrophobicContact CB-CZ 3.9Å; E418-F480 HydrophobicContact CG-CE1 4.26Å; E418-F480 HydrophobicContact CG-CZ 4.21Å; E418-F480 WeakPolarHBondContact OE2-CZ 3.4Å
419	Y	92.4	Very high	83.5	Confident	6 Å²	6	52.5 Å²	52.5	2%	0.024	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	150.3	-176	-63.7	-98.4	0	0	0	111.6	I415 T416 C436 T437 H438 F445 D478 F480 V489	I415-Y419 HydrophobicContact CG1-CD2 4.06Å; I415-Y419 HydrophobicContact CG1-CG 4.32Å; I415-Y419 PolarHBondContact O-N 2.92Å; T416-Y419 CarbonylContact C-O 3.57Å; T416-Y419 WeakPolarHBondContact CA-O 3.34Å; Y419-C436 HydrophobicContact CD1-CB 4.46Å; Y419-T437 CarbonylContact C-O 3.58Å; Y419-T437 WeakPolarHBondContact CA-O 3.25Å; Y419-H438 HydrophobicContact CD1-CB 3.92Å; Y419-H438 HydrophobicContact CE1-CB 3.69Å; Y419-H438 AromaticContact CE1-CD2 3.79Å; Y419-H438 AromaticContact CE2-CD2 3.86Å; Y419-H438 AromaticContact CZ-CD2 3.6Å; Y419-F445 HydrophobicContact CD1-CD2 4.25Å; Y419-F445 HydrophobicContact CE1-CB 4.32Å; Y419-F445 AromaticContact CE1-CD2 3.61Å; Y419-F445 HydrophobicContact CE1-CD2 3.61Å; Y419-F445 HydrophobicContact CE1-CE2 4.11Å; Y419-F445 HydrophobicContact CE1-CG 4.03Å; Y419-D478 PolarHBondContact OH-OD2 2.88Å; Y419-F480 AromaticContact CD2-CE2 3.73Å; Y419-F480 HydrophobicContact CD2-CE2 3.73Å; Y419-F480 AromaticContact CD2-CZ 3.77Å; Y419-F480 HydrophobicContact CD2-CZ 3.77Å; Y419-F480 AromaticContact CE2-CE2 3.49Å; Y419-F480 HydrophobicContact CE2-CE2 3.49Å; Y419-F480 VanDerWaalsContact CE2-CE2 3.49Å; Y419-F480 AromaticContact CE2-CZ 3.6Å; Y419-F480 HydrophobicContact CE2-CZ 3.6Å; Y419-V489 HydrophobicContact CD1-CG1 4.46Å; Y419-V489 HydrophobicContact CE1-CG1 3.78Å; Y419-V489 HydrophobicContact CE2-CG2 4.45Å
420	E	94.1	Very high	84.1	Confident	82 Å²	82	55.4 Å²	55.4	38%	0.383	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.8	169.3	-168.9	-168.6	165.6	0	0	108.7	K422 C436 T437	E420-K422 VanDerWaalsContact CD-CE 3.45Å; E420-K422 IonicContact OE1-NZ 3.66Å; E420-K422 PolarHBondContact OE1-NZ 2.89Å; E420-K422 WeakPolarHBondContact OE2-CE 3.39Å; E420-K422 IonicContact OE2-NZ 3.64Å; E420-K422 PolarHBondContact OE2-NZ 2.86Å; E420-C436 CarbonylContact O-C 3.52Å; E420-C436 WeakPolarHBondContact O-CA 3.46Å; E420-C436 WeakPolarHBondContact O-CB 3.36Å; E420-T437 PolarHBondContact N-O 3.4Å; E420-T437 PolarHBondContact O-N 3.4Å
421	L	94.3	Very high	85.1	Confident	45 Å²	45	55.8 Å²	55.8	24%	0.236	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	134.4	177	-60.4	-178	0	0	0	110.7	I415 C436 V447	I415-L421 HydrophobicContact CD1-CD2 4.28Å; I415-L421 HydrophobicContact CG2-CD1 4.35Å; I415-L421 HydrophobicContact CG2-CD2 4.39Å; L421-C436 HydrophobicContact CD2-CB 3.94Å; L421-V447 HydrophobicContact CD2-CG1 3.58Å
422	K	95	Very high	85.9	Confident	57 Å²	57	55.4 Å²	55.4	25%	0.248	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	-148.3	-177.6	-57.3	-68.3	-174.6	179.5	0	110.4	E420 R434 R435	E420-K422 VanDerWaalsContact CD-CE 3.45Å; E420-K422 IonicContact OE1-NZ 3.66Å; E420-K422 PolarHBondContact OE1-NZ 2.89Å; E420-K422 WeakPolarHBondContact OE2-CE 3.39Å; E420-K422 IonicContact OE2-NZ 3.64Å; E420-K422 PolarHBondContact OE2-NZ 2.86Å; K422-R434 VanDerWaalsContact O-CZ 3.23Å; K422-R434 PolarHBondContact O-NE 3.27Å; K422-R434 PolarHBondContact O-NH2 3.31Å; K422-R435 WeakPolarHBondContact CA-O 3.3Å; K422-R435 HydrophobicContact CB-CB 4.19Å; K422-R435 WeakPolarHBondContact CB-O 3.44Å; K422-R435 PolarHBondContact N-O 3.44Å
423	E	95	Very high	86.9	Confident	91 Å²	91	56.3 Å²	56.3	43%	0.425	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	158.9	-178.8	69.9	-82.6	-171.1	0	0	113.5	R434 R435	E423-R434 CarbonylContact O-C 3.5Å; E423-R434 VanDerWaalsContact O-CA 3.3Å; E423-R434 WeakPolarHBondContact O-CA 3.12Å; E423-R434 WeakPolarHBondContact O-CB 3.13Å; E423-R435 VanDerWaalsContact CD-NE 3.33Å; E423-R435 PolarHBondContact O-N 2.72Å; E423-R435 IonicContact OE1-CZ 3.59Å; E423-R435 IonicContact OE1-NE 3.62Å; E423-R435 PolarHBondContact OE1-NE 3.05Å; E423-R435 IonicContact OE1-NH2 3.73Å; E423-R435 PolarHBondContact OE1-NH2 3.34Å; E423-R435 IonicContact OE2-CZ 3.95Å; E423-R435 IonicContact OE2-NE 2.65Å; E423-R435 PolarHBondContact OE2-NE 3Å; E423-R435 IonicContact OE2-NH2 2.68Å; E423-R435 PolarHBondContact OE2-NH2 3.22Å
424	E	94.9	Very high	88	Confident	115 Å²	115	57.8 Å²	57.8	54%	0.537	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	133	171.9	-171.4	176.9	104.5	0	0	110.4	V427 V432	E424-V427 HydrophobicContact CG-CG2 4.47Å; E424-V427 WeakPolarHBondContact OE1-CG2 3.41Å; E424-V432 HydrophobicContact CG-CG1 3.89Å
425	L	90.8	Very high	88.7	Confident	73 Å²	73	57 Å²	57	38%	0.382	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-28.4	176.6	-63.8	175.4	0	0	0	111.7	C433 R435 A446 Y492	L425-C433 HydrophobicContact CB-CB 4.3Å; L425-C433 PolarHBondContact N-O 3Å; L425-R435 HydrophobicContact CD1-CB 4.14Å; L425-R435 HydrophobicContact CD2-CB 4.12Å; L425-R435 HydrophobicContact CG-CB 4.18Å; L425-A446 HydrophobicContact CD1-CB 3.9Å; L425-Y492 HydrophobicContact CD1-CD2 3.99Å; L425-Y492 HydrophobicContact CD1-CE2 3.7Å; L425-Y492 HydrophobicContact CD2-CE2 3.77Å; L425-Y492 HydrophobicContact CG-CE2 4.4Å
426	G	85.6	Confident	89	Confident	30 Å²	30	56.9 Å²	56.9	31%	0.309	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	172.7	161.2	176.6	0	0	0	0	0	113.6	C433	G426-C433 PolarHBondContact N-O 2.85Å; G426-C433 PolarHBondContact O-N 3.33Å
427	V	84.2	Confident	89.4	Confident	99 Å²	99	54.6 Å²	54.6	60%	0.6	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.2	178.7	-176	0	0	0	0	109.3	E424 V432	E424-V427 HydrophobicContact CG-CG2 4.47Å; E424-V427 WeakPolarHBondContact OE1-CG2 3.41Å; V427-V432 HydrophobicContact CG1-CG2 4.48Å
428	G	75.1	Confident	89.6	Confident	30 Å²	30	51.8 Å²	51.8	31%	0.309	28%	0.282	S	S	.	.			trans	-95.2	175.3	169.1	0	0	0	0	0	111.6	H430 S431	G428-H430 PolarHBondContact O-N 3.16Å; G428-H430 VanDerWaalsContact O-N 3.09Å; G428-S431 PolarHBondContact N-O 3.3Å
429	A	69.2	Low	89.7	Confident	71 Å²	71	54.7 Å²	54.7	59%	0.587	29%	0.291	S	S	*	.	S	Bend	trans	-55.2	-33.4	-177.7	0	0	0	0	0	113.9
430	H	75.7	Confident	89.1	Confident	71 Å²	71	61.6 Å²	61.6	33%	0.329	33%	0.328	S	S	.	.	S	Bend	trans	-135.2	11.7	-175	-49	107.8	0	0	0	113.5	G428 R454 R455	G428-H430 PolarHBondContact O-N 3.16Å; G428-H430 VanDerWaalsContact O-N 3.09Å; H430-R454 HydrophobicContact CB-CB 4.41Å; H430-R455 HydrophobicContact CB-CB 3.75Å; H430-R455 HydrophobicContact CB-CG 4.48Å
431	S	87.5	Confident	88.7	Confident	10 Å²	10	63.3 Å²	63.3	7%	0.07	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	153.4	-173.2	60.2	0	0	0	0	112.6	G428 K448 I449	G428-S431 PolarHBondContact N-O 3.3Å; S431-K448 WeakPolarHBondContact OG-CE 3.31Å; S431-I449 CarbonylContact C-O 3.58Å; S431-I449 WeakPolarHBondContact CA-O 3.42Å; S431-I449 VanDerWaalsContact CB-O 3.28Å; S431-I449 WeakPolarHBondContact CB-O 3.25Å
432	V	91.8	Very high	88.4	Confident	47 Å²	47	68.7 Å²	68.7	29%	0.285	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127.8	172.9	-179.9	0	0	0	0	108.6	E424 V427 R434 I449	E424-V432 HydrophobicContact CG-CG1 3.89Å; V427-V432 HydrophobicContact CG1-CG2 4.48Å; V432-R434 HydrophobicContact CG1-CG 4.2Å; V432-I449 PolarHBondContact N-O 2.65Å; V432-I449 WeakPolarHBondContact O-CB 3.31Å; V432-I449 WeakPolarHBondContact O-CG1 3.47Å; V432-I449 PolarHBondContact O-N 3.4Å
433	C	94	Very high	88.1	Confident	38 Å²	38	68.8 Å²	68.8	26%	0.257	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	131.3	174.5	-67.8	0	0	0	0	109.6	L425 G426 V447	L425-C433 HydrophobicContact CB-CB 4.3Å; L425-C433 PolarHBondContact N-O 3Å; G426-C433 PolarHBondContact N-O 2.85Å; G426-C433 PolarHBondContact O-N 3.33Å; C433-V447 CarbonylContact C-O 3.49Å; C433-V447 VanDerWaalsContact CA-O 3.25Å; C433-V447 WeakPolarHBondContact CA-O 3.37Å
434	R	96.5	Very high	88.1	Confident	87 Å²	87	66.3 Å²	66.3	33%	0.328	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	153.8	175.9	-61.9	-177.2	71	161.6	1.5	110.5	K422 E423 V432 A446 V447 I449	K422-R434 VanDerWaalsContact O-CZ 3.23Å; K422-R434 PolarHBondContact O-NE 3.27Å; K422-R434 PolarHBondContact O-NH2 3.31Å; E423-R434 CarbonylContact O-C 3.5Å; E423-R434 VanDerWaalsContact O-CA 3.3Å; E423-R434 WeakPolarHBondContact O-CA 3.12Å; E423-R434 WeakPolarHBondContact O-CB 3.13Å; V432-R434 HydrophobicContact CG1-CG 4.2Å; R434-A446 CarbonylContact O-C 3.5Å; R434-A446 WeakPolarHBondContact O-CA 3.48Å; R434-V447 HydrophobicContact CB-CG1 4.08Å; R434-V447 PolarHBondContact N-O 3.07Å; R434-V447 PolarHBondContact O-N 2.89Å; R434-I449 HydrophobicContact CG-CD1 4.24Å
435	R	96.4	Very high	88.2	Confident	40 Å²	40	61.6 Å²	61.6	15%	0.151	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	144.5	164.1	-170.2	173.3	61.6	86.5	7.3	108.1	K422 E423 L425 D444 F445 Y492	K422-R435 WeakPolarHBondContact CA-O 3.3Å; K422-R435 HydrophobicContact CB-CB 4.19Å; K422-R435 WeakPolarHBondContact CB-O 3.44Å; K422-R435 PolarHBondContact N-O 3.44Å; E423-R435 VanDerWaalsContact CD-NE 3.33Å; E423-R435 PolarHBondContact O-N 2.72Å; E423-R435 IonicContact OE1-CZ 3.59Å; E423-R435 IonicContact OE1-NE 3.62Å; E423-R435 PolarHBondContact OE1-NE 3.05Å; E423-R435 IonicContact OE1-NH2 3.73Å; E423-R435 PolarHBondContact OE1-NH2 3.34Å; E423-R435 IonicContact OE2-CZ 3.95Å; E423-R435 IonicContact OE2-NE 2.65Å; E423-R435 PolarHBondContact OE2-NE 3Å; E423-R435 IonicContact OE2-NH2 2.68Å; E423-R435 PolarHBondContact OE2-NH2 3.22Å; L425-R435 HydrophobicContact CD1-CB 4.14Å; L425-R435 HydrophobicContact CD2-CB 4.12Å; L425-R435 HydrophobicContact CG-CB 4.18Å; R435-D444 HydrophobicContact CG-CB 4.47Å; R435-D444 IonicContact CZ-OD2 3.58Å; R435-D444 IonicContact NH1-OD1 2.63Å; R435-D444 PolarHBondContact NH1-OD1 2.82Å; R435-D444 VanDerWaalsContact NH1-OD1 3.08Å; R435-D444 IonicContact NH1-OD2 3.13Å; R435-D444 PolarHBondContact NH1-OD2 2.73Å; R435-F445 WeakPolarHBondContact CA-O 3.45Å; R435-Y492 HydrophobicContact CG-CD1 4.43Å; R435-Y492 HydrophobicContact CG-CD2 4.5Å; R435-Y492 HydrophobicContact CG-CE1 4.34Å; R435-Y492 HydrophobicContact CG-CE2 4.42Å
436	C	95.9	Very high	88.4	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	150.7	171	65.2	0	0	0	0	110.6	Y419 E420 L421 D444 F445 V447	Y419-C436 HydrophobicContact CD1-CB 4.46Å; E420-C436 CarbonylContact O-C 3.52Å; E420-C436 WeakPolarHBondContact O-CA 3.46Å; E420-C436 WeakPolarHBondContact O-CB 3.36Å; L421-C436 HydrophobicContact CD2-CB 3.94Å; C436-D444 CarbonylContact O-C 3.45Å; C436-D444 WeakPolarHBondContact O-CA 3.45Å; C436-F445 PolarHBondContact N-O 3Å; C436-F445 PolarHBondContact O-N 2.91Å; C436-V447 HydrophobicContact CB-CG1 4.09Å
437	T	95.2	Very high	88.9	Confident	18 Å²	18	57.6 Å²	57.6	11%	0.11	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	123.8	179	-52.6	0	0	0	0	109	Y419 E420 R439 T443 D444	Y419-T437 CarbonylContact C-O 3.58Å; Y419-T437 WeakPolarHBondContact CA-O 3.25Å; E420-T437 PolarHBondContact N-O 3.4Å; E420-T437 PolarHBondContact O-N 3.4Å; T437-R439 PolarHBondContact O-N 3.14Å; T437-T443 CarbonylContact C-O 3.6Å; T437-T443 WeakPolarHBondContact CA-O 3.41Å; T437-D444 WeakPolarHBondContact CB-OD1 3.33Å; T437-D444 PolarHBondContact OG1-OD1 3.14Å
438	H	91.4	Very high	89.4	Confident	28 Å²	28	53.2 Å²	53.2	13%	0.13	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	125.4	175.4	-175.1	-116	0	0	0	109.9	E418 Y419 L440 M441 K442 T443 F445	E418-H438 PolarHBondContact O-CD2 3.43Å; E418-H438 VanDerWaalsContact O-CD2 3.28Å; Y419-H438 HydrophobicContact CD1-CB 3.92Å; Y419-H438 HydrophobicContact CE1-CB 3.69Å; Y419-H438 AromaticContact CE1-CD2 3.79Å; Y419-H438 AromaticContact CE2-CD2 3.86Å; Y419-H438 AromaticContact CZ-CD2 3.6Å; H438-L440 VanDerWaalsContact C-N 3.34Å; H438-L440 PolarHBondContact O-N 2.95Å; H438-M441 HydrophobicContact CB-CB 4.4Å; H438-M441 WeakPolarHBondContact ND1-CB 3.47Å; H438-M441 VanDerWaalsContact ND1-CG 3.28Å; H438-M441 WeakPolarHBondContact ND1-CG 3.35Å; H438-M441 PolarHBondContact ND1-N 3.16Å; H438-K442 VanDerWaalsContact O-CA 3.31Å; H438-K442 WeakPolarHBondContact O-CA 3.32Å; H438-K442 PolarHBondContact O-N 3.33Å; H438-T443 PolarHBondContact N-O 3.37Å; H438-F445 HydrophobicContact CB-CD2 4.02Å; H438-F445 HydrophobicContact CB-CE2 3.67Å
439	R	88.3	Confident	90.3	Very high	111 Å²	111	53 Å²	53	42%	0.419	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-37.2	-166.9	-72.5	-178	179.7	-76.7	0.7	113.3	T416 E418 T437 K442	T416-R439 PolarHBondContact O-NE 3.05Å; T416-R439 PolarHBondContact O-NH2 2.84Å; E418-R439 WeakPolarHBondContact O-CB 3.24Å; E418-R439 WeakPolarHBondContact O-CG 3.29Å; E418-R439 PolarHBondContact O-N 3.46Å; T437-R439 PolarHBondContact O-N 3.14Å; R439-K442 WeakPolarHBondContact O-CD 3.06Å; R439-K442 VanDerWaalsContact O-CE 3.24Å; R439-K442 WeakPolarHBondContact O-CE 3.11Å; R439-K442 PolarHBondContact O-NZ 3.49Å
440	L	80.7	Confident	91.3	Very high	150 Å²	150	49.7 Å²	49.7	79%	0.785	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-50.5	-178.8	-176.1	65.7	0	0	0	111.6	H438 K442	H438-L440 VanDerWaalsContact C-N 3.34Å; H438-L440 PolarHBondContact O-N 2.95Å; L440-K442 VanDerWaalsContact C-N 3.31Å; L440-K442 PolarHBondContact O-N 2.81Å
441	M	84.6	Confident	91.8	Very high	118 Å²	118	47.7 Å²	47.7	58%	0.581	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-11.2	-175.1	-64.5	171.8	70.2	0	0	113.8	H438 T443	H438-M441 HydrophobicContact CB-CB 4.4Å; H438-M441 WeakPolarHBondContact ND1-CB 3.47Å; H438-M441 VanDerWaalsContact ND1-CG 3.28Å; H438-M441 WeakPolarHBondContact ND1-CG 3.35Å; H438-M441 PolarHBondContact ND1-N 3.16Å; M441-T443 PolarHBondContact O-N 2.92Å; M441-T443 PolarHBondContact O-OG1 3.1Å; M441-T443 VanDerWaalsContact O-OG1 3.06Å
442	K	89.3	Confident	91.5	Very high	158 Å²	158	51 Å²	51	69%	0.687	25%	0.248	S	C	*	.			trans	51.5	28.5	-174.7	-55.4	-56.1	-172.5	-164.4	0	113.5	H438 R439 L440	H438-K442 VanDerWaalsContact O-CA 3.31Å; H438-K442 WeakPolarHBondContact O-CA 3.32Å; H438-K442 PolarHBondContact O-N 3.33Å; R439-K442 WeakPolarHBondContact O-CD 3.06Å; R439-K442 VanDerWaalsContact O-CE 3.24Å; R439-K442 WeakPolarHBondContact O-CE 3.11Å; R439-K442 PolarHBondContact O-NZ 3.49Å; L440-K442 VanDerWaalsContact C-N 3.31Å; L440-K442 PolarHBondContact O-N 2.81Å
443	T	88.8	Confident	90.7	Very high	59 Å²	59	53.1 Å²	53.1	36%	0.362	27%	0.27	S	S	.	.			trans	-103.9	140.4	-177.5	-58.9	0	0	0	0	109.4	T437 H438 M441 F445	T437-T443 CarbonylContact C-O 3.6Å; T437-T443 WeakPolarHBondContact CA-O 3.41Å; H438-T443 PolarHBondContact N-O 3.37Å; M441-T443 PolarHBondContact O-N 2.92Å; M441-T443 PolarHBondContact O-OG1 3.1Å; M441-T443 VanDerWaalsContact O-OG1 3.06Å; T443-F445 HydrophobicContact CG2-CE2 3.93Å; T443-F445 HydrophobicContact CG2-CZ 4.07Å; T443-F445 VanDerWaalsContact O-CD2 3.27Å; T443-F445 WeakPolarHBondContact O-CD2 3.46Å; T443-F445 WeakPolarHBondContact O-CE2 3.49Å
444	D	94.5	Very high	89.9	Confident	40 Å²	40	60 Å²	60	21%	0.214	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	139	179.6	-77.1	-14.2	0	0	0	112.2	R435 C436 T437 Y492	R435-D444 HydrophobicContact CG-CB 4.47Å; R435-D444 IonicContact CZ-OD2 3.58Å; R435-D444 IonicContact NH1-OD1 2.63Å; R435-D444 PolarHBondContact NH1-OD1 2.82Å; R435-D444 VanDerWaalsContact NH1-OD1 3.08Å; R435-D444 IonicContact NH1-OD2 3.13Å; R435-D444 PolarHBondContact NH1-OD2 2.73Å; C436-D444 CarbonylContact O-C 3.45Å; C436-D444 WeakPolarHBondContact O-CA 3.45Å; T437-D444 WeakPolarHBondContact CB-OD1 3.33Å; T437-D444 PolarHBondContact OG1-OD1 3.14Å; D444-Y492 HydrophobicContact CB-CD1 3.91Å; D444-Y492 HydrophobicContact CB-CG 4.49Å; D444-Y492 WeakPolarHBondContact O-CB 3.15Å
445	F	95.8	Very high	89.1	Confident	16 Å²	16	57.9 Å²	57.9	7%	0.07	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	165.4	178.2	-65.7	-86.2	0	0	0	109.4	Y419 R435 C436 H438 T443 R477 V489 F490	Y419-F445 HydrophobicContact CD1-CD2 4.25Å; Y419-F445 HydrophobicContact CE1-CB 4.32Å; Y419-F445 AromaticContact CE1-CD2 3.61Å; Y419-F445 HydrophobicContact CE1-CD2 3.61Å; Y419-F445 HydrophobicContact CE1-CE2 4.11Å; Y419-F445 HydrophobicContact CE1-CG 4.03Å; R435-F445 WeakPolarHBondContact CA-O 3.45Å; C436-F445 PolarHBondContact N-O 3Å; C436-F445 PolarHBondContact O-N 2.91Å; H438-F445 HydrophobicContact CB-CD2 4.02Å; H438-F445 HydrophobicContact CB-CE2 3.67Å; T443-F445 HydrophobicContact CG2-CE2 3.93Å; T443-F445 HydrophobicContact CG2-CZ 4.07Å; T443-F445 VanDerWaalsContact O-CD2 3.27Å; T443-F445 WeakPolarHBondContact O-CD2 3.46Å; T443-F445 WeakPolarHBondContact O-CE2 3.49Å; F445-R477 HydrophobicContact CD1-CG 4.18Å; F445-R477 HydrophobicContact CE1-CG 3.95Å; F445-V489 HydrophobicContact CB-CG1 3.75Å; F445-V489 HydrophobicContact CD1-CG1 4.28Å; F445-V489 HydrophobicContact CG-CG1 4.1Å; F445-F490 WeakPolarHBondContact CA-O 3.42Å; F445-F490 VanDerWaalsContact CB-O 3.32Å; F445-F490 WeakPolarHBondContact CB-O 3.42Å; F445-F490 WeakPolarHBondContact CD1-O 3.46Å
446	A	96.3	Very high	88.4	Confident	18 Å²	18	61.2 Å²	61.2	15%	0.149	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	138	167.6	0	0	0	0	0	108.6	L425 R434 V489 F490 Y492	L425-A446 HydrophobicContact CD1-CB 3.9Å; R434-A446 CarbonylContact O-C 3.5Å; R434-A446 WeakPolarHBondContact O-CA 3.48Å; A446-V489 CarbonylContact O-C 3.6Å; A446-V489 WeakPolarHBondContact O-CA 3.3Å; A446-F490 PolarHBondContact N-O 3.14Å; A446-F490 PolarHBondContact O-N 3.48Å; A446-Y492 HydrophobicContact CB-CD2 4.29Å
447	V	96	Very high	88	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.7	172.6	57.8	0	0	0	0	110.3	I415 L421 C433 R434 C436 I449 Y487 L488 V489	I415-V447 HydrophobicContact CD1-CB 4.15Å; I415-V447 HydrophobicContact CD1-CG1 4.46Å; I415-V447 HydrophobicContact CD1-CG2 3.59Å; L421-V447 HydrophobicContact CD2-CG1 3.58Å; C433-V447 CarbonylContact C-O 3.49Å; C433-V447 VanDerWaalsContact CA-O 3.25Å; C433-V447 WeakPolarHBondContact CA-O 3.37Å; R434-V447 HydrophobicContact CB-CG1 4.08Å; R434-V447 PolarHBondContact N-O 3.07Å; R434-V447 PolarHBondContact O-N 2.89Å; C436-V447 HydrophobicContact CB-CG1 4.09Å; V447-I449 HydrophobicContact CG1-CG1 4.46Å; V447-I449 HydrophobicContact CG2-CG1 4.19Å; V447-Y487 HydrophobicContact CG2-CD1 4.2Å; V447-L488 CarbonylContact C-O 3.59Å; V447-L488 VanDerWaalsContact CA-O 3.3Å; V447-L488 WeakPolarHBondContact CA-O 3.39Å; V447-V489 HydrophobicContact CB-CG2 4.48Å; V447-V489 HydrophobicContact CG2-CG2 4.29Å
448	K	94.7	Very high	87.4	Confident	7 Å²	7	61.7 Å²	61.7	3%	0.03	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	115.4	169.9	-172.8	176.3	-172.1	179.6	0	109.3	S431 I450 E460 Y487 L488 F490 D558	S431-K448 WeakPolarHBondContact OG-CE 3.31Å; K448-I450 HydrophobicContact CD-CD1 4.31Å; K448-I450 HydrophobicContact CD-CG1 4.44Å; K448-I450 HydrophobicContact CG-CD1 4.4Å; K448-I450 HydrophobicContact CG-CG1 4.05Å; K448-E460 IonicContact NZ-OE1 2.96Å; K448-E460 PolarHBondContact NZ-OE1 2.88Å; K448-E460 IonicContact NZ-OE2 3.43Å; K448-E460 PolarHBondContact NZ-OE2 3.09Å; K448-Y487 WeakPolarHBondContact O-CA 3.44Å; K448-L488 HydrophobicContact CB-CB 4.32Å; K448-L488 PolarHBondContact N-O 2.85Å; K448-L488 PolarHBondContact O-N 3.21Å; K448-F490 HydrophobicContact CB-CE2 4.01Å; K448-D558 IonicContact NZ-OD1 3.7Å; K448-D558 PolarHBondContact NZ-OD1 2.87Å; K448-D558 IonicContact NZ-OD2 3.28Å
449	I	93.7	Very high	87.1	Confident	26 Å²	26	63.4 Å²	63.4	13%	0.133	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	111.9	-178	-48.7	177.2	0	0	0	107.8	S431 V432 R434 V447 C485 Y487	S431-I449 CarbonylContact C-O 3.58Å; S431-I449 WeakPolarHBondContact CA-O 3.42Å; S431-I449 VanDerWaalsContact CB-O 3.28Å; S431-I449 WeakPolarHBondContact CB-O 3.25Å; V432-I449 PolarHBondContact N-O 2.65Å; V432-I449 WeakPolarHBondContact O-CB 3.31Å; V432-I449 WeakPolarHBondContact O-CG1 3.47Å; V432-I449 PolarHBondContact O-N 3.4Å; R434-I449 HydrophobicContact CG-CD1 4.24Å; V447-I449 HydrophobicContact CG1-CG1 4.46Å; V447-I449 HydrophobicContact CG2-CG1 4.19Å; I449-C485 HydrophobicContact CG2-CB 4.06Å; I449-Y487 HydrophobicContact CB-CD1 4.37Å; I449-Y487 HydrophobicContact CB-CE1 4.5Å; I449-Y487 HydrophobicContact CD1-CD1 4.36Å; I449-Y487 HydrophobicContact CD1-CE1 4.26Å; I449-Y487 HydrophobicContact CG1-CD1 3.85Å; I449-Y487 HydrophobicContact CG1-CE1 4.13Å; I449-Y487 HydrophobicContact CG2-CD1 4Å; I449-Y487 HydrophobicContact CG2-CE1 3.73Å
450	I	91.3	Very high	87.2	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	124.4	-175.4	-51.7	175.6	0	0	0	109	K448 R452 P457 C485 V486 L488	K448-I450 HydrophobicContact CD-CD1 4.31Å; K448-I450 HydrophobicContact CD-CG1 4.44Å; K448-I450 HydrophobicContact CG-CD1 4.4Å; K448-I450 HydrophobicContact CG-CG1 4.05Å; I450-R452 PolarHBondContact O-N 3.32Å; I450-P457 HydrophobicContact CD1-CB 3.64Å; I450-P457 HydrophobicContact CG2-CB 4.16Å; I450-P457 HydrophobicContact CG2-CG 4.41Å; I450-C485 CarbonylContact O-C 3.56Å; I450-C485 VanDerWaalsContact O-CA 3.27Å; I450-C485 WeakPolarHBondContact O-CA 3.42Å; I450-V486 PolarHBondContact N-O 3.34Å; I450-V486 PolarHBondContact O-N 3.44Å; I450-L488 HydrophobicContact CD1-CD1 3.77Å; I450-L488 HydrophobicContact CD1-CG 4.23Å
451	S	85.8	Confident	87.5	Confident	29 Å²	29	51 Å²	51	20%	0.203	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	119.6	176.9	179.3	0	0	0	0	110.8	A453 R454 R455	S451-A453 PolarHBondContact O-N 2.96Å; S451-R454 PolarHBondContact O-N 2.72Å; S451-R455 PolarHBondContact O-N 3.41Å
452	R	80.2	Confident	87.5	Confident	81 Å²	81	45.7 Å²	45.7	31%	0.306	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-29.5	177.4	-69.3	171	159.6	-83.3	8.3	112.9	L402 I450 R454 E481 D482 E483 M484 V486	L402-R452 VanDerWaalsContact N-NH2 3.17Å; I450-R452 PolarHBondContact O-N 3.32Å; R452-R454 VanDerWaalsContact C-N 3.29Å; R452-R454 PolarHBondContact O-N 3.36Å; R452-E481 IonicContact CZ-OE2 3.71Å; R452-E481 IonicContact NH2-OE2 2.72Å; R452-E481 PolarHBondContact NH2-OE2 3.23Å; R452-D482 PolarHBondContact NE-O 3.31Å; R452-D482 VanDerWaalsContact NE-O 3.11Å; R452-E483 WeakPolarHBondContact CD-O 3.21Å; R452-M484 WeakPolarHBondContact CB-O 3.27Å; R452-M484 PolarHBondContact N-O 2.92Å; R452-V486 HydrophobicContact CG-CG2 4.01Å
453	A	75.6	Confident	87.5	Confident	90 Å²	90	38.2 Å²	38.2	74%	0.744	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-21	178.8	0	0	0	0	0	113.2	S451	S451-A453 PolarHBondContact O-N 2.96Å
454	R	76.2	Confident	87.6	Confident	184 Å²	184	35.6 Å²	35.6	69%	0.694	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-32.9	-173.9	-63.1	-173.6	-178.4	-169.1	1	113.2	H430 S451 R452	H430-R454 HydrophobicContact CB-CB 4.41Å; S451-R454 PolarHBondContact O-N 2.72Å; R452-R454 VanDerWaalsContact C-N 3.29Å; R452-R454 PolarHBondContact O-N 3.36Å
455	R	80.3	Confident	87.1	Confident	42 Å²	42	36.8 Å²	36.8	16%	0.158	19%	0.189	C	C	.	.			trans	-155.3	139.8	-174.8	178.4	173	169.4	-115.5	-28	110.8	H430 S451 P457 E460 G560	H430-R455 HydrophobicContact CB-CB 3.75Å; H430-R455 HydrophobicContact CB-CG 4.48Å; S451-R455 PolarHBondContact O-N 3.41Å; R455-P457 WeakPolarHBondContact O-CD 3.49Å; R455-E460 IonicContact CZ-OE2 3.36Å; R455-E460 VanDerWaalsContact CZ-OE2 3.23Å; R455-E460 IonicContact NH1-OE2 3.41Å; R455-E460 PolarHBondContact NH1-OE2 3.02Å; R455-E460 IonicContact NH2-OE2 3.6Å; R455-E460 PolarHBondContact NH2-OE2 3.16Å; R455-G560 VanDerWaalsContact CZ-CA 3.5Å; R455-G560 PolarHBondContact NE-O 3.25Å; R455-G560 PolarHBondContact NH2-O 2.88Å
456	D	82.1	Confident	86.5	Confident	110 Å²	110	38.5 Å²	38.5	59%	0.588	20%	0.195	S	C	*	.			trans	-80.8	115.3	166.9	-176	0.3	0	0	0	109.8	S458	D456-S458 VanDerWaalsContact C-N 3.31Å; D456-S458 WeakPolarHBondContact OD1-CB 3.42Å; D456-S458 PolarHBondContact OD1-N 3.36Å; D456-S458 PolarHBondContact OD1-OG 2.75Å
457	P	87.5	Confident	86.2	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.013	19%	0.192	C	C	.	.			trans	-85.9	2.3	179	34.4	-32.3	0	0	0	113.7	L402 I450 R455 E459 E460 V461 V486	L402-P457 HydrophobicContact CD1-CG 4.1Å; L402-P457 HydrophobicContact CD2-CG 4.07Å; I450-P457 HydrophobicContact CD1-CB 3.64Å; I450-P457 HydrophobicContact CG2-CB 4.16Å; I450-P457 HydrophobicContact CG2-CG 4.41Å; R455-P457 WeakPolarHBondContact O-CD 3.49Å; P457-E459 VanDerWaalsContact C-N 3.32Å; P457-E459 PolarHBondContact O-N 3.39Å; P457-E460 PolarHBondContact O-N 3.5Å; P457-E460 VanDerWaalsContact O-N 3.12Å; P457-V461 HydrophobicContact CB-CG2 4.29Å; P457-V461 WeakPolarHBondContact O-CG2 3.27Å; P457-V461 PolarHBondContact O-N 2.82Å; P457-V486 HydrophobicContact CG-CB 4.12Å; P457-V486 HydrophobicContact CG-CG1 4.32Å; P457-V486 HydrophobicContact CG-CG2 3.82Å
458	S	83.1	Confident	85.9	Confident	25 Å²	25	39 Å²	39	18%	0.175	20%	0.195	C	C	.	.	H	α-helix	trans	-55.5	-42.8	-170.7	-60.8	0	0	0	0	113.7	D456 V461 D462	D456-S458 VanDerWaalsContact C-N 3.31Å; D456-S458 WeakPolarHBondContact OD1-CB 3.42Å; D456-S458 PolarHBondContact OD1-N 3.36Å; D456-S458 PolarHBondContact OD1-OG 2.75Å; S458-V461 PolarHBondContact O-N 3.47Å; S458-D462 WeakPolarHBondContact O-CB 3.43Å; S458-D462 PolarHBondContact O-N 2.68Å
459	E	84.2	Confident	85.6	Confident	65 Å²	65	44.8 Å²	44.8	30%	0.304	22%	0.222	S	C	.	.	H	α-helix	trans	-66.2	-44.5	178.4	-172.3	73.1	-172.5	0	0	111.8	P457 V461 D462 I463 Q564	P457-E459 VanDerWaalsContact C-N 3.32Å; P457-E459 PolarHBondContact O-N 3.39Å; E459-V461 VanDerWaalsContact C-N 3.3Å; E459-V461 PolarHBondContact O-N 2.77Å; E459-D462 PolarHBondContact O-N 2.78Å; E459-I463 HydrophobicContact CG-CD1 4.06Å; E459-I463 WeakPolarHBondContact O-CB 3.27Å; E459-I463 VanDerWaalsContact O-CG1 3.27Å; E459-I463 WeakPolarHBondContact O-CG1 3.27Å; E459-I463 PolarHBondContact O-N 3.49Å; E459-Q564 WeakPolarHBondContact OE1-CB 3.39Å; E459-Q564 PolarHBondContact OE1-N 2.74Å
460	E	90.8	Very high	85.5	Confident	1 Å²	1	45 Å²	45	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-60.9	-43.2	178.1	170.4	172.8	-166.4	0	0	110.7	K448 R455 P457 L464 L488 F559 G560	K448-E460 IonicContact NZ-OE1 2.96Å; K448-E460 PolarHBondContact NZ-OE1 2.88Å; K448-E460 IonicContact NZ-OE2 3.43Å; K448-E460 PolarHBondContact NZ-OE2 3.09Å; R455-E460 IonicContact CZ-OE2 3.36Å; R455-E460 VanDerWaalsContact CZ-OE2 3.23Å; R455-E460 IonicContact NH1-OE2 3.41Å; R455-E460 PolarHBondContact NH1-OE2 3.02Å; R455-E460 IonicContact NH2-OE2 3.6Å; R455-E460 PolarHBondContact NH2-OE2 3.16Å; P457-E460 PolarHBondContact O-N 3.5Å; P457-E460 VanDerWaalsContact O-N 3.12Å; E460-L464 HydrophobicContact CG-CD1 3.81Å; E460-L464 WeakPolarHBondContact O-CB 3.49Å; E460-L464 WeakPolarHBondContact O-CD1 3.41Å; E460-L464 WeakPolarHBondContact O-CG 3.21Å; E460-L464 PolarHBondContact O-N 2.73Å; E460-L488 HydrophobicContact CG-CD1 4.4Å; E460-F559 HydrophobicContact CG-CB 4.17Å; E460-G560 VanDerWaalsContact OE2-CA 3.27Å; E460-G560 WeakPolarHBondContact OE2-CA 3.28Å
461	V	87.7	Confident	85.7	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-72.7	-37.5	-179.3	178.4	0	0	0	0	111.7	I404 V409 P457 S458 E459 L464 L465 I479 L488	I404-V461 HydrophobicContact CD1-CB 3.24Å; I404-V461 HydrophobicContact CD1-CG1 3.13Å; I404-V461 HydrophobicContact CD1-CG2 4.35Å; V409-V461 HydrophobicContact CB-CG1 4.45Å; V409-V461 HydrophobicContact CG1-CG1 3.73Å; P457-V461 HydrophobicContact CB-CG2 4.29Å; P457-V461 WeakPolarHBondContact O-CG2 3.27Å; P457-V461 PolarHBondContact O-N 2.82Å; S458-V461 PolarHBondContact O-N 3.47Å; E459-V461 VanDerWaalsContact C-N 3.3Å; E459-V461 PolarHBondContact O-N 2.77Å; V461-L464 PolarHBondContact O-N 3.29Å; V461-L465 HydrophobicContact CG1-CD1 4.19Å; V461-L465 HydrophobicContact CG1-CG 4.28Å; V461-L465 WeakPolarHBondContact O-CB 3.1Å; V461-L465 VanDerWaalsContact O-CG 3.27Å; V461-L465 WeakPolarHBondContact O-CG 3.37Å; V461-L465 PolarHBondContact O-N 2.9Å; V461-I479 HydrophobicContact CG1-CD1 3.87Å; V461-L488 HydrophobicContact CG2-CD1 3.75Å; V461-L488 HydrophobicContact CG2-CD2 3.49Å; V461-L488 VanDerWaalsContact CG2-CD2 3.49Å; V461-L488 HydrophobicContact CG2-CG 4.25Å
462	D	84.2	Confident	86.2	Confident	6 Å²	6	48.3 Å²	48.3	3%	0.032	24%	0.242	C	C	.	.	H	α-helix	trans	-60.3	-46.2	173.7	-167.3	16.8	0	0	0	110.9	I404 Q405 S458 E459 L465 R466 R566	I404-D462 HydrophobicContact CG2-CB 3.69Å; Q405-D462 PolarHBondContact NE2-OD1 3.08Å; Q405-D462 PolarHBondContact NE2-OD2 2.89Å; S458-D462 WeakPolarHBondContact O-CB 3.43Å; S458-D462 PolarHBondContact O-N 2.68Å; E459-D462 PolarHBondContact O-N 2.78Å; D462-L465 PolarHBondContact O-N 2.8Å; D462-R466 WeakPolarHBondContact O-CD 3.33Å; D462-R466 VanDerWaalsContact O-CG 3.27Å; D462-R466 WeakPolarHBondContact O-CG 3.31Å; D462-R466 PolarHBondContact O-N 2.78Å; D462-R466 VanDerWaalsContact O-N 3.16Å; D462-R466 IonicContact OD1-CZ 2.68Å; D462-R466 IonicContact OD1-NE 2.83Å; D462-R466 PolarHBondContact OD1-NE 3.04Å; D462-R466 IonicContact OD1-NH2 2.97Å; D462-R466 IonicContact OD2-NE 3.81Å; D462-R466 IonicContact OD2-NH2 3.51Å; D462-R566 IonicContact OD2-NH2 2.69Å; D462-R566 PolarHBondContact OD2-NH2 2.84Å
463	I	88.3	Confident	87	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-61.3	-47.4	176.4	-69.1	169.7	0	0	0	110.6	E459 R466 Y467 V532 F559 A562 Q564	E459-I463 HydrophobicContact CG-CD1 4.06Å; E459-I463 WeakPolarHBondContact O-CB 3.27Å; E459-I463 VanDerWaalsContact O-CG1 3.27Å; E459-I463 WeakPolarHBondContact O-CG1 3.27Å; E459-I463 PolarHBondContact O-N 3.49Å; I463-R466 PolarHBondContact O-N 2.88Å; I463-Y467 HydrophobicContact CG2-CD2 3.94Å; I463-Y467 WeakPolarHBondContact O-CD2 3.21Å; I463-Y467 PolarHBondContact O-N 2.73Å; I463-V532 HydrophobicContact CD1-CG1 4.37Å; I463-V532 HydrophobicContact CG2-CG1 4.01Å; I463-V532 HydrophobicContact CG2-CG2 4.46Å; I463-F559 HydrophobicContact CG2-CD1 3.62Å; I463-F559 HydrophobicContact CG2-CE1 4.21Å; I463-F559 HydrophobicContact CG2-CG 4.39Å; I463-A562 HydrophobicContact CD1-CB 3.65Å; I463-A562 HydrophobicContact CG2-CB 4.48Å; I463-Q564 HydrophobicContact CD1-CB 4.31Å; I463-Q564 HydrophobicContact CG1-CB 4.14Å
464	L	90.8	Very high	87.8	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.016	20%	0.195	C	C	.	.	H	α-helix	trans	-66.2	-42.2	-178.9	-71.8	167.5	0	0	0	112.4	E460 V461 R466 Y467 S468 I473 L476 L488 F490 F559	E460-L464 HydrophobicContact CG-CD1 3.81Å; E460-L464 WeakPolarHBondContact O-CB 3.49Å; E460-L464 WeakPolarHBondContact O-CD1 3.41Å; E460-L464 WeakPolarHBondContact O-CG 3.21Å; E460-L464 PolarHBondContact O-N 2.73Å; V461-L464 PolarHBondContact O-N 3.29Å; L464-R466 PolarHBondContact O-N 3.41Å; L464-Y467 PolarHBondContact O-N 3.11Å; L464-S468 WeakPolarHBondContact O-CB 3.09Å; L464-S468 PolarHBondContact O-N 2.98Å; L464-S468 PolarHBondContact O-OG 3.09Å; L464-I473 HydrophobicContact CD2-CG2 4.49Å; L464-L476 HydrophobicContact CB-CB 4.38Å; L464-L476 HydrophobicContact CB-CD2 3.73Å; L464-L476 HydrophobicContact CD1-CD2 4.45Å; L464-L488 HydrophobicContact CD1-CD1 4.2Å; L464-F490 HydrophobicContact CD1-CE1 3.72Å; L464-F490 HydrophobicContact CD1-CZ 3.55Å; L464-F490 HydrophobicContact CD2-CE1 4.05Å; L464-F490 HydrophobicContact CG-CE1 4.46Å; L464-F559 HydrophobicContact CD2-CB 4.23Å; L464-F559 HydrophobicContact CD2-CD2 3.72Å; L464-F559 HydrophobicContact CD2-CE2 4.34Å; L464-F559 HydrophobicContact CD2-CG 4.01Å; L464-F559 HydrophobicContact CG-CB 4.26Å
465	L	84	Confident	88.6	Confident	65 Å²	65	33.2 Å²	33.2	34%	0.34	17%	0.171	S	C	.	.	H	α-helix	trans	-57	-35.3	174.6	-76.6	174.4	0	0	0	112.3	V409 V461 D462 L476 I479	V409-L465 HydrophobicContact CG1-CD1 3.78Å; V409-L465 HydrophobicContact CG1-CD2 4.45Å; V409-L465 HydrophobicContact CG1-CG 4.48Å; V409-L465 HydrophobicContact CG2-CD1 4.21Å; V461-L465 HydrophobicContact CG1-CD1 4.19Å; V461-L465 HydrophobicContact CG1-CG 4.28Å; V461-L465 WeakPolarHBondContact O-CB 3.1Å; V461-L465 VanDerWaalsContact O-CG 3.27Å; V461-L465 WeakPolarHBondContact O-CG 3.37Å; V461-L465 PolarHBondContact O-N 2.9Å; D462-L465 PolarHBondContact O-N 2.8Å; L465-L476 HydrophobicContact CD2-CD2 4.4Å; L465-I479 HydrophobicContact CD2-CD1 4Å; L465-I479 HydrophobicContact CG-CD1 4.48Å
466	R	83.4	Confident	89.1	Confident	52 Å²	52	32.3 Å²	32.3	20%	0.196	17%	0.169	C	C	.	.	H	α-helix	trans	-79	-42.9	179.6	-70.8	166.5	-176.2	-95.3	4	112.9	D462 I463 L464 H469 L572	D462-R466 WeakPolarHBondContact O-CD 3.33Å; D462-R466 VanDerWaalsContact O-CG 3.27Å; D462-R466 WeakPolarHBondContact O-CG 3.31Å; D462-R466 PolarHBondContact O-N 2.78Å; D462-R466 VanDerWaalsContact O-N 3.16Å; D462-R466 IonicContact OD1-CZ 2.68Å; D462-R466 IonicContact OD1-NE 2.83Å; D462-R466 PolarHBondContact OD1-NE 3.04Å; D462-R466 IonicContact OD1-NH2 2.97Å; D462-R466 IonicContact OD2-NE 3.81Å; D462-R466 IonicContact OD2-NH2 3.51Å; I463-R466 PolarHBondContact O-N 2.88Å; L464-R466 PolarHBondContact O-N 3.41Å; R466-H469 PolarHBondContact O-CE1 3.2Å; R466-H469 PolarHBondContact O-ND1 2.66Å; R466-L572 VanDerWaalsContact CZ-CD1 3.5Å
467	Y	90.8	Very high	89.4	Confident	20 Å²	20	33.5 Å²	33.5	8%	0.078	17%	0.165	C	C	.	.	H	α-helix	trans	-119.4	-7.7	-163.3	-54.2	-67.7	0	0	0	114.8	I463 L464 H469 H470 Y526 L527 H530 V532 Q564	I463-Y467 HydrophobicContact CG2-CD2 3.94Å; I463-Y467 WeakPolarHBondContact O-CD2 3.21Å; I463-Y467 PolarHBondContact O-N 2.73Å; L464-Y467 PolarHBondContact O-N 3.11Å; Y467-H469 PolarHBondContact O-N 2.81Å; Y467-H470 WeakPolarHBondContact O-CB 3.23Å; Y467-H470 PolarHBondContact O-N 3.01Å; Y467-Y526 HydrophobicContact CD1-CE1 4.03Å; Y467-L527 HydrophobicContact CG-CD2 4.37Å; Y467-H530 HydrophobicContact CE1-CB 3.67Å; Y467-H530 AromaticContact CE1-CG 3.88Å; Y467-V532 HydrophobicContact CD2-CG2 3.69Å; Y467-V532 HydrophobicContact CE2-CG2 3.29Å; Y467-Q564 VanDerWaalsContact CE2-OE1 3.25Å; Y467-Q564 PolarHBondContact OH-OE1 2.91Å; Y467-Q564 VanDerWaalsContact OH-OE1 3.07Å
468	S	90.1	Very high	89.4	Confident	10 Å²	10	35 Å²	35	7%	0.07	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-2.6	-179.3	78.9	0	0	0	0	114.4	L464 H470 A474 L476	L464-S468 WeakPolarHBondContact O-CB 3.09Å; L464-S468 PolarHBondContact O-N 2.98Å; L464-S468 PolarHBondContact O-OG 3.09Å; S468-H470 VanDerWaalsContact C-N 3.27Å; S468-A474 WeakPolarHBondContact CB-O 3.15Å; S468-L476 PolarHBondContact OG-N 2.97Å
469	H	87.3	Confident	89.7	Confident	128 Å²	128	34.4 Å²	34.4	59%	0.593	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-14.5	171.7	66.5	-92	0	0	0	112.3	R466 Y467 Y526	R466-H469 PolarHBondContact O-CE1 3.2Å; R466-H469 PolarHBondContact O-ND1 2.66Å; Y467-H469 PolarHBondContact O-N 2.81Å; H469-Y526 PolarHBondContact NE2-OH 3.49Å
470	H	92.5	Very high	89.9	Confident	30 Å²	30	31.3 Å²	31.3	14%	0.139	15%	0.153	C	C	.	.	S	Bend	trans	-63.7	132.3	173	-174	-82.9	0	0	0	109.9	Y467 S468 N472 I473 T523 Y526	Y467-H470 WeakPolarHBondContact O-CB 3.23Å; Y467-H470 PolarHBondContact O-N 3.01Å; S468-H470 VanDerWaalsContact C-N 3.27Å; H470-N472 PolarHBondContact ND1-N 3.1Å; H470-N472 PolarHBondContact O-N 3.15Å; H470-I473 HydrophobicContact CB-CB 4.33Å; H470-I473 HydrophobicContact CB-CD1 3.9Å; H470-I473 HydrophobicContact CB-CG1 4.06Å; H470-I473 PolarHBondContact O-N 3.44Å; H470-T523 PolarHBondContact CE1-OG1 2.82Å; H470-Y526 HydrophobicContact CB-CE1 4.16Å; H470-Y526 AromaticContact CD2-CD1 3.67Å; H470-Y526 AromaticContact CD2-CE1 3.94Å; H470-Y526 AromaticContact CD2-CG 3.84Å
471	P	94.4	Very high	89.5	Confident	80 Å²	80	31.3 Å²	31.3	52%	0.519	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-28.1	-170.4	22.2	-34.6	0	0	0	113.7	R555	P471-R555 VanDerWaalsContact O-CD 3.23Å; P471-R555 WeakPolarHBondContact O-CD 3.44Å; P471-R555 PolarHBondContact O-NE 3.07Å; P471-R555 PolarHBondContact O-NH1 2.87Å; P471-R555 PolarHBondContact O-NH2 2.97Å
472	N	96.5	Very high	89.2	Confident	19 Å²	19	33.7 Å²	33.7	10%	0.102	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	17.9	-178.5	-57.4	103.7	0	0	0	114.3	H470 V519 T523 E552 L554 R555 I556	H470-N472 PolarHBondContact ND1-N 3.1Å; H470-N472 PolarHBondContact O-N 3.15Å; N472-V519 HydrophobicContact CB-CG1 4Å; N472-V519 WeakPolarHBondContact ND2-CG1 3.47Å; N472-T523 HydrophobicContact CB-CG2 4.35Å; N472-T523 VanDerWaalsContact CB-OG1 3.22Å; N472-T523 WeakPolarHBondContact CB-OG1 3.33Å; N472-E552 PolarHBondContact ND2-O 2.85Å; N472-L554 WeakPolarHBondContact CA-O 3.28Å; N472-L554 WeakPolarHBondContact CB-O 3.28Å; N472-L554 PolarHBondContact ND2-O 2.68Å; N472-R555 CarbonylContact O-C 3.57Å; N472-R555 WeakPolarHBondContact O-CA 2.93Å; N472-I556 PolarHBondContact O-N 3.23Å
473	I	96.3	Very high	88.6	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-109.8	145.8	168.3	-65.5	-179.9	0	0	0	108.2	L464 H470 T475 T523 L527 F559	L464-I473 HydrophobicContact CD2-CG2 4.49Å; H470-I473 HydrophobicContact CB-CB 4.33Å; H470-I473 HydrophobicContact CB-CD1 3.9Å; H470-I473 HydrophobicContact CB-CG1 4.06Å; H470-I473 PolarHBondContact O-N 3.44Å; I473-T475 PolarHBondContact O-N 2.65Å; I473-T523 HydrophobicContact CD1-CG2 4.04Å; I473-T523 HydrophobicContact CG1-CG2 3.57Å; I473-L527 HydrophobicContact CD1-CD1 4.22Å; I473-L527 HydrophobicContact CD1-CD2 3.76Å; I473-L527 HydrophobicContact CD1-CG 4.12Å; I473-F559 HydrophobicContact CD1-CZ 3.92Å; I473-F559 HydrophobicContact CG1-CZ 4.08Å; I473-F559 HydrophobicContact CG2-CE2 3.62Å; I473-F559 HydrophobicContact CG2-CZ 3.75Å
474	A	93.3	Very high	88.1	Confident	8 Å²	8	47.3 Å²	47.3	7%	0.066	23%	0.231	C	C	.	.			trans	-57.8	113.1	175.1	0	0	0	0	0	111.3	S468 L476 F490 I556 I557	S468-A474 WeakPolarHBondContact CB-O 3.15Å; A474-L476 PolarHBondContact O-N 2.9Å; A474-F490 HydrophobicContact CB-CD1 3.89Å; A474-F490 HydrophobicContact CB-CE1 4.41Å; A474-I556 PolarHBondContact N-O 3.27Å; A474-I557 HydrophobicContact CB-CB 4.46Å; A474-I557 HydrophobicContact CB-CG2 4.1Å
475	T	92.4	Very high	87.9	Confident	30 Å²	30	48.3 Å²	48.3	18%	0.184	24%	0.238	C	C	.	.			trans	-64.6	118.2	-178.4	-37.2	0	0	0	0	111	I473 F490 D491	I473-T475 PolarHBondContact O-N 2.65Å; T475-F490 VanDerWaalsContact O-CA 3.23Å; T475-F490 WeakPolarHBondContact O-CA 3.38Å; T475-D491 VanDerWaalsContact CB-OD2 3.23Å; T475-D491 WeakPolarHBondContact CB-OD2 3.41Å; T475-D491 PolarHBondContact O-N 3.42Å; T475-D491 PolarHBondContact OG1-OD2 3.48Å
476	L	91.6	Very high	88.2	Confident	22 Å²	22	45.2 Å²	45.2	12%	0.115	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	119.4	171.3	-174.6	61.2	0	0	0	109.2	L464 L465 S468 A474 I479 L488 F490	L464-L476 HydrophobicContact CB-CB 4.38Å; L464-L476 HydrophobicContact CB-CD2 3.73Å; L464-L476 HydrophobicContact CD1-CD2 4.45Å; L465-L476 HydrophobicContact CD2-CD2 4.4Å; S468-L476 PolarHBondContact OG-N 2.97Å; A474-L476 PolarHBondContact O-N 2.9Å; L476-I479 HydrophobicContact CD1-CG1 4.05Å; L476-I479 HydrophobicContact CD2-CD1 3.6Å; L476-I479 HydrophobicContact CD2-CG1 3.97Å; L476-I479 HydrophobicContact CG-CD1 4.2Å; L476-I479 HydrophobicContact CG-CG1 4.13Å; L476-L488 HydrophobicContact CD1-CB 3.86Å; L476-F490 HydrophobicContact CB-CD1 4.28Å; L476-F490 HydrophobicContact CB-CE1 4.03Å; L476-F490 HydrophobicContact CD1-CD1 4.19Å; L476-F490 HydrophobicContact CD1-CE1 3.76Å; L476-F490 HydrophobicContact CD1-CE2 4.39Å; L476-F490 HydrophobicContact CD1-CZ 3.88Å; L476-F490 HydrophobicContact CG-CE1 4.46Å
477	R	88.4	Confident	88.7	Confident	135 Å²	135	44 Å²	44	51%	0.509	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-46.1	-174.3	-67.3	-66.2	-173.6	-174.4	-5.8	113	F445 V489 D491	F445-R477 HydrophobicContact CD1-CG 4.18Å; F445-R477 HydrophobicContact CE1-CG 3.95Å; R477-V489 HydrophobicContact CB-CG1 4.48Å; R477-V489 PolarHBondContact N-O 3.41Å; R477-D491 IonicContact CZ-OD1 2.67Å; R477-D491 IonicContact CZ-OD2 3.06Å; R477-D491 IonicContact NE-OD1 3.88Å; R477-D491 PolarHBondContact NE-OD1 3.05Å; R477-D491 IonicContact NE-OD2 2.73Å; R477-D491 IonicContact NH2-OD1 2.65Å; R477-D491 PolarHBondContact NH2-OD1 3.11Å; R477-D491 VanDerWaalsContact NH2-OD1 3.08Å; R477-D491 IonicContact NH2-OD2 2.81Å; R477-D491 PolarHBondContact NH2-OD2 3.41Å
478	D	87.3	Confident	88.8	Confident	34 Å²	34	43.1 Å²	43.1	18%	0.182	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	155.3	-176.1	-94.1	-47.3	0	0	0	109.9	K411 Y419 F480 V489	K411-D478 WeakPolarHBondContact CE-OD1 3.22Å; K411-D478 VanDerWaalsContact NZ-CG 3.33Å; K411-D478 IonicContact NZ-OD1 2.71Å; K411-D478 PolarHBondContact NZ-OD1 3.3Å; K411-D478 IonicContact NZ-OD2 3.79Å; K411-D478 PolarHBondContact NZ-OD2 2.89Å; Y419-D478 PolarHBondContact OH-OD2 2.88Å; D478-F480 HydrophobicContact CB-CD2 4.3Å; D478-F480 HydrophobicContact CB-CE2 3.66Å; D478-F480 HydrophobicContact CB-CZ 4.46Å; D478-V489 HydrophobicContact CB-CB 3.91Å; D478-V489 HydrophobicContact CB-CG2 4.02Å; D478-V489 PolarHBondContact N-O 2.87Å; D478-V489 WeakPolarHBondContact O-CB 3.31Å; D478-V489 PolarHBondContact O-N 3.1Å
479	I	89.7	Confident	89	Confident	13 Å²	13	42.6 Å²	42.6	7%	0.067	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	124.6	176.2	-56.9	160.5	0	0	0	105.9	V409 G410 K411 V461 L465 L476 V486 Y487 L488	V409-I479 HydrophobicContact CG1-CB 4.35Å; V409-I479 HydrophobicContact CG1-CD1 3.14Å; V409-I479 HydrophobicContact CG1-CG1 4.29Å; V409-I479 HydrophobicContact CG1-CG2 4.23Å; G410-I479 CarbonylContact C-O 3.29Å; G410-I479 VanDerWaalsContact CA-O 3.28Å; G410-I479 WeakPolarHBondContact CA-O 3.32Å; K411-I479 PolarHBondContact N-O 3.13Å; V461-I479 HydrophobicContact CG1-CD1 3.87Å; L465-I479 HydrophobicContact CD2-CD1 4Å; L465-I479 HydrophobicContact CG-CD1 4.48Å; L476-I479 HydrophobicContact CD1-CG1 4.05Å; L476-I479 HydrophobicContact CD2-CD1 3.6Å; L476-I479 HydrophobicContact CD2-CG1 3.97Å; L476-I479 HydrophobicContact CG-CD1 4.2Å; L476-I479 HydrophobicContact CG-CG1 4.13Å; I479-V486 HydrophobicContact CG2-CG1 4.33Å; I479-Y487 CarbonylContact C-O 3.58Å; I479-Y487 VanDerWaalsContact CA-O 3.31Å; I479-Y487 WeakPolarHBondContact CA-O 3.35Å; I479-L488 HydrophobicContact CG1-CD2 4.09Å; I479-L488 HydrophobicContact CG2-CD2 3.86Å
480	F	88.4	Confident	89.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	165.1	172.1	-60.2	-103.6	0	0	0	109.5	K411 I413 I415 E418 Y419 D478 Y487 V489	K411-F480 HydrophobicContact CB-CD1 3.69Å; K411-F480 HydrophobicContact CB-CE1 4.05Å; K411-F480 HydrophobicContact CB-CG 4.3Å; K411-F480 HydrophobicContact CD-CD1 4Å; K411-F480 HydrophobicContact CD-CE1 3.5Å; K411-F480 VanDerWaalsContact CD-CE1 3.5Å; K411-F480 HydrophobicContact CD-CE2 4.43Å; K411-F480 HydrophobicContact CD-CZ 3.74Å; K411-F480 HydrophobicContact CG-CD1 4.4Å; K411-F480 HydrophobicContact CG-CE1 4.37Å; K411-F480 WeakPolarHBondContact O-CA 3.3Å; I413-F480 HydrophobicContact CD1-CE1 4.07Å; I413-F480 HydrophobicContact CG1-CD1 3.84Å; I413-F480 HydrophobicContact CG1-CE1 3.9Å; I415-F480 HydrophobicContact CB-CB 4.1Å; I415-F480 HydrophobicContact CB-CD1 4.3Å; I415-F480 HydrophobicContact CB-CD2 4.18Å; I415-F480 HydrophobicContact CB-CG 3.95Å; I415-F480 HydrophobicContact CD1-CD2 4.08Å; I415-F480 HydrophobicContact CD1-CE2 4.49Å; I415-F480 HydrophobicContact CG1-CD2 3.86Å; I415-F480 HydrophobicContact CG1-CE2 4.09Å; I415-F480 HydrophobicContact CG1-CG 4.15Å; E418-F480 HydrophobicContact CB-CE1 4.28Å; E418-F480 HydrophobicContact CB-CZ 3.9Å; E418-F480 HydrophobicContact CG-CE1 4.26Å; E418-F480 HydrophobicContact CG-CZ 4.21Å; E418-F480 WeakPolarHBondContact OE2-CZ 3.4Å; Y419-F480 AromaticContact CD2-CE2 3.73Å; Y419-F480 HydrophobicContact CD2-CE2 3.73Å; Y419-F480 AromaticContact CD2-CZ 3.77Å; Y419-F480 HydrophobicContact CD2-CZ 3.77Å; Y419-F480 AromaticContact CE2-CE2 3.49Å; Y419-F480 HydrophobicContact CE2-CE2 3.49Å; Y419-F480 VanDerWaalsContact CE2-CE2 3.49Å; Y419-F480 AromaticContact CE2-CZ 3.6Å; Y419-F480 HydrophobicContact CE2-CZ 3.6Å; D478-F480 HydrophobicContact CB-CD2 4.3Å; D478-F480 HydrophobicContact CB-CE2 3.66Å; D478-F480 HydrophobicContact CB-CZ 4.46Å; F480-Y487 HydrophobicContact CB-CD2 4.05Å; F480-Y487 HydrophobicContact CB-CG 4.33Å; F480-Y487 PolarHBondContact N-O 3.31Å; F480-Y487 PolarHBondContact O-N 3.04Å; F480-V489 HydrophobicContact CD2-CG2 4.01Å; F480-V489 HydrophobicContact CE2-CG2 3.98Å
481	E	82.7	Confident	89.5	Confident	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	154.1	177.8	56.6	175.9	153	0	0	113.2	Q401 L402 G410 K411 R452 C485	Q401-E481 WeakPolarHBondContact CA-OE1 3.15Å; Q401-E481 VanDerWaalsContact CA-OE2 3.23Å; Q401-E481 WeakPolarHBondContact CA-OE2 3.42Å; Q401-E481 WeakPolarHBondContact CB-OE1 3.42Å; Q401-E481 VanDerWaalsContact CD-OE1 3.28Å; Q401-E481 WeakPolarHBondContact CG-OE1 3.41Å; Q401-E481 PolarHBondContact NE2-OE1 2.9Å; L402-E481 WeakPolarHBondContact CA-OE2 3.27Å; L402-E481 WeakPolarHBondContact CB-OE2 3.4Å; L402-E481 PolarHBondContact N-OE1 3.22Å; L402-E481 PolarHBondContact N-OE2 3.41Å; G410-E481 PolarHBondContact N-OE1 3.18Å; G410-E481 VanDerWaalsContact O-OE1 3.08Å; K411-E481 PolarHBondContact O-N 2.95Å; R452-E481 IonicContact CZ-OE2 3.71Å; R452-E481 IonicContact NH2-OE2 2.72Å; R452-E481 PolarHBondContact NH2-OE2 3.23Å; E481-C485 WeakPolarHBondContact CA-O 3.48Å
482	D	79.7	Confident	89.5	Confident	50 Å²	50	36.3 Å²	36.3	27%	0.267	17%	0.173	S	C	.	.			trans	-136.2	-171.7	166.8	60.5	46.1	0	0	0	109.3	R452 M484 C485 Y487	R452-D482 PolarHBondContact NE-O 3.31Å; R452-D482 VanDerWaalsContact NE-O 3.11Å; D482-M484 PolarHBondContact O-N 3.38Å; D482-M484 WeakPolarHBondContact OD1-CA 3.05Å; D482-M484 PolarHBondContact OD1-N 3.41Å; D482-C485 PolarHBondContact N-O 2.72Å; D482-C485 PolarHBondContact OD1-N 2.98Å; D482-Y487 WeakPolarHBondContact OD2-CE2 3.41Å; D482-Y487 VanDerWaalsContact OD2-CZ 3.29Å; D482-Y487 PolarHBondContact OD2-OH 2.85Å
483	E	73.3	Confident	89.4	Confident	167 Å²	167	36.1 Å²	36.1	78%	0.78	17%	0.173	S	C	*	.	S	Bend	trans	-62.4	-24.4	-178.4	-61.3	-169.2	153.8	0	0	113.4	R452	R452-E483 WeakPolarHBondContact CD-O 3.21Å
484	M	77.8	Confident	89.3	Confident	125 Å²	125	42 Å²	42	62%	0.616	20%	0.199	S	C	*	.	S	Bend	trans	-106.7	-32.8	-171.5	-62.4	-61.2	-69.7	0	0	112.8	R452 D482	R452-M484 WeakPolarHBondContact CB-O 3.27Å; R452-M484 PolarHBondContact N-O 2.92Å; D482-M484 PolarHBondContact O-N 3.38Å; D482-M484 WeakPolarHBondContact OD1-CA 3.05Å; D482-M484 PolarHBondContact OD1-N 3.41Å
485	C	86.7	Confident	89.2	Confident	24 Å²	24	41.8 Å²	41.8	16%	0.162	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	150.9	-164.6	-70.3	0	0	0	0	112.8	I449 I450 E481 D482 Y487	I449-C485 HydrophobicContact CG2-CB 4.06Å; I450-C485 CarbonylContact O-C 3.56Å; I450-C485 VanDerWaalsContact O-CA 3.27Å; I450-C485 WeakPolarHBondContact O-CA 3.42Å; E481-C485 WeakPolarHBondContact CA-O 3.48Å; D482-C485 PolarHBondContact N-O 2.72Å; D482-C485 PolarHBondContact OD1-N 2.98Å; C485-Y487 HydrophobicContact CB-CD2 4.44Å; C485-Y487 HydrophobicContact CB-CE1 4.42Å; C485-Y487 HydrophobicContact CB-CE2 3.7Å
486	V	89.5	Confident	89.2	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	135.2	164.2	179.6	0	0	0	0	107.9	L402 I450 R452 P457 I479 L488	L402-V486 HydrophobicContact CB-CG2 4.46Å; L402-V486 HydrophobicContact CD1-CG2 3.38Å; L402-V486 HydrophobicContact CD2-CB 4.48Å; L402-V486 HydrophobicContact CD2-CG1 3.86Å; L402-V486 HydrophobicContact CD2-CG2 3.79Å; L402-V486 HydrophobicContact CG-CG2 4.05Å; I450-V486 PolarHBondContact N-O 3.34Å; I450-V486 PolarHBondContact O-N 3.44Å; R452-V486 HydrophobicContact CG-CG2 4.01Å; P457-V486 HydrophobicContact CG-CB 4.12Å; P457-V486 HydrophobicContact CG-CG1 4.32Å; P457-V486 HydrophobicContact CG-CG2 3.82Å; I479-V486 HydrophobicContact CG2-CG1 4.33Å; V486-L488 HydrophobicContact CG1-CD2 3.76Å; V486-L488 HydrophobicContact CG1-CG 4.43Å
487	Y	93.1	Very high	89.2	Confident	28 Å²	28	43 Å²	43	11%	0.11	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	114.6	-178.5	-52.9	-101.1	0	0	0	108.8	I415 V447 K448 I449 I479 F480 D482 C485	I415-Y487 HydrophobicContact CB-CD1 4.31Å; I415-Y487 HydrophobicContact CB-CG 4.32Å; I415-Y487 HydrophobicContact CD1-CD1 4.15Å; I415-Y487 HydrophobicContact CD1-CG 4.27Å; I415-Y487 HydrophobicContact CG2-CD1 3.81Å; I415-Y487 HydrophobicContact CG2-CE1 3.85Å; I415-Y487 HydrophobicContact CG2-CG 4.27Å; V447-Y487 HydrophobicContact CG2-CD1 4.2Å; K448-Y487 WeakPolarHBondContact O-CA 3.44Å; I449-Y487 HydrophobicContact CB-CD1 4.37Å; I449-Y487 HydrophobicContact CB-CE1 4.5Å; I449-Y487 HydrophobicContact CD1-CD1 4.36Å; I449-Y487 HydrophobicContact CD1-CE1 4.26Å; I449-Y487 HydrophobicContact CG1-CD1 3.85Å; I449-Y487 HydrophobicContact CG1-CE1 4.13Å; I449-Y487 HydrophobicContact CG2-CD1 4Å; I449-Y487 HydrophobicContact CG2-CE1 3.73Å; I479-Y487 CarbonylContact C-O 3.58Å; I479-Y487 VanDerWaalsContact CA-O 3.31Å; I479-Y487 WeakPolarHBondContact CA-O 3.35Å; F480-Y487 HydrophobicContact CB-CD2 4.05Å; F480-Y487 HydrophobicContact CB-CG 4.33Å; F480-Y487 PolarHBondContact N-O 3.31Å; F480-Y487 PolarHBondContact O-N 3.04Å; D482-Y487 WeakPolarHBondContact OD2-CE2 3.41Å; D482-Y487 VanDerWaalsContact OD2-CZ 3.29Å; D482-Y487 PolarHBondContact OD2-OH 2.85Å; C485-Y487 HydrophobicContact CB-CD2 4.44Å; C485-Y487 HydrophobicContact CB-CE1 4.42Å; C485-Y487 HydrophobicContact CB-CE2 3.7Å
488	L	94.4	Very high	89.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	114.5	176.1	-51.5	-175.9	0	0	0	108.5	V447 K448 I450 E460 V461 L464 L476 I479 V486 F490	V447-L488 CarbonylContact C-O 3.59Å; V447-L488 VanDerWaalsContact CA-O 3.3Å; V447-L488 WeakPolarHBondContact CA-O 3.39Å; K448-L488 HydrophobicContact CB-CB 4.32Å; K448-L488 PolarHBondContact N-O 2.85Å; K448-L488 PolarHBondContact O-N 3.21Å; I450-L488 HydrophobicContact CD1-CD1 3.77Å; I450-L488 HydrophobicContact CD1-CG 4.23Å; E460-L488 HydrophobicContact CG-CD1 4.4Å; V461-L488 HydrophobicContact CG2-CD1 3.75Å; V461-L488 HydrophobicContact CG2-CD2 3.49Å; V461-L488 VanDerWaalsContact CG2-CD2 3.49Å; V461-L488 HydrophobicContact CG2-CG 4.25Å; L464-L488 HydrophobicContact CD1-CD1 4.2Å; L476-L488 HydrophobicContact CD1-CB 3.86Å; I479-L488 HydrophobicContact CG1-CD2 4.09Å; I479-L488 HydrophobicContact CG2-CD2 3.86Å; V486-L488 HydrophobicContact CG1-CD2 3.76Å; V486-L488 HydrophobicContact CG1-CG 4.43Å; L488-F490 HydrophobicContact CB-CD2 4.32Å; L488-F490 HydrophobicContact CB-CE2 3.43Å; L488-F490 VanDerWaalsContact CB-CE2 3.43Å; L488-F490 HydrophobicContact CB-CZ 3.77Å; L488-F490 HydrophobicContact CD1-CE2 4.46Å; L488-F490 HydrophobicContact CD1-CZ 4.21Å; L488-F490 WeakPolarHBondContact O-CD2 3.13Å; L488-F490 WeakPolarHBondContact O-CE2 3.19Å
489	V	94.6	Very high	89.4	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.3	-178.4	-175.7	0	0	0	0	109.5	I415 Y419 F445 A446 V447 R477 D478 F480	I415-V489 HydrophobicContact CD1-CG2 3.9Å; Y419-V489 HydrophobicContact CD1-CG1 4.46Å; Y419-V489 HydrophobicContact CE1-CG1 3.78Å; Y419-V489 HydrophobicContact CE2-CG2 4.45Å; F445-V489 HydrophobicContact CB-CG1 3.75Å; F445-V489 HydrophobicContact CD1-CG1 4.28Å; F445-V489 HydrophobicContact CG-CG1 4.1Å; A446-V489 CarbonylContact O-C 3.6Å; A446-V489 WeakPolarHBondContact O-CA 3.3Å; V447-V489 HydrophobicContact CB-CG2 4.48Å; V447-V489 HydrophobicContact CG2-CG2 4.29Å; R477-V489 HydrophobicContact CB-CG1 4.48Å; R477-V489 PolarHBondContact N-O 3.41Å; D478-V489 HydrophobicContact CB-CB 3.91Å; D478-V489 HydrophobicContact CB-CG2 4.02Å; D478-V489 PolarHBondContact N-O 2.87Å; D478-V489 WeakPolarHBondContact O-CB 3.31Å; D478-V489 PolarHBondContact O-N 3.1Å; F480-V489 HydrophobicContact CD2-CG2 4.01Å; F480-V489 HydrophobicContact CE2-CG2 3.98Å
490	F	95.8	Very high	89.3	Confident	22 Å²	22	36 Å²	36	10%	0.096	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	161.8	-178.4	-59.1	-88.3	0	0	0	111.9	F445 A446 K448 L464 A474 T475 L476 L488 Y492	F445-F490 WeakPolarHBondContact CA-O 3.42Å; F445-F490 VanDerWaalsContact CB-O 3.32Å; F445-F490 WeakPolarHBondContact CB-O 3.42Å; F445-F490 WeakPolarHBondContact CD1-O 3.46Å; A446-F490 PolarHBondContact N-O 3.14Å; A446-F490 PolarHBondContact O-N 3.48Å; K448-F490 HydrophobicContact CB-CE2 4.01Å; L464-F490 HydrophobicContact CD1-CE1 3.72Å; L464-F490 HydrophobicContact CD1-CZ 3.55Å; L464-F490 HydrophobicContact CD2-CE1 4.05Å; L464-F490 HydrophobicContact CG-CE1 4.46Å; A474-F490 HydrophobicContact CB-CD1 3.89Å; A474-F490 HydrophobicContact CB-CE1 4.41Å; T475-F490 VanDerWaalsContact O-CA 3.23Å; T475-F490 WeakPolarHBondContact O-CA 3.38Å; L476-F490 HydrophobicContact CB-CD1 4.28Å; L476-F490 HydrophobicContact CB-CE1 4.03Å; L476-F490 HydrophobicContact CD1-CD1 4.19Å; L476-F490 HydrophobicContact CD1-CE1 3.76Å; L476-F490 HydrophobicContact CD1-CE2 4.39Å; L476-F490 HydrophobicContact CD1-CZ 3.88Å; L476-F490 HydrophobicContact CG-CE1 4.46Å; L488-F490 HydrophobicContact CB-CD2 4.32Å; L488-F490 HydrophobicContact CB-CE2 3.43Å; L488-F490 VanDerWaalsContact CB-CE2 3.43Å; L488-F490 HydrophobicContact CB-CZ 3.77Å; L488-F490 HydrophobicContact CD1-CE2 4.46Å; L488-F490 HydrophobicContact CD1-CZ 4.21Å; L488-F490 WeakPolarHBondContact O-CD2 3.13Å; L488-F490 WeakPolarHBondContact O-CE2 3.19Å; F490-Y492 PolarHBondContact O-N 3.16Å
491	D	93.6	Very high	89.3	Confident	27 Å²	27	38.9 Å²	38.9	14%	0.144	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	132.2	165.4	-71.1	-23	0	0	0	111	T475 R477 C493 L545	T475-D491 VanDerWaalsContact CB-OD2 3.23Å; T475-D491 WeakPolarHBondContact CB-OD2 3.41Å; T475-D491 PolarHBondContact O-N 3.42Å; T475-D491 PolarHBondContact OG1-OD2 3.48Å; R477-D491 IonicContact CZ-OD1 2.67Å; R477-D491 IonicContact CZ-OD2 3.06Å; R477-D491 IonicContact NE-OD1 3.88Å; R477-D491 PolarHBondContact NE-OD1 3.05Å; R477-D491 IonicContact NE-OD2 2.73Å; R477-D491 IonicContact NH2-OD1 2.65Å; R477-D491 PolarHBondContact NH2-OD1 3.11Å; R477-D491 VanDerWaalsContact NH2-OD1 3.08Å; R477-D491 IonicContact NH2-OD2 2.81Å; R477-D491 PolarHBondContact NH2-OD2 3.41Å; D491-C493 PolarHBondContact O-N 2.89Å; D491-L545 HydrophobicContact CB-CD1 3.94Å
492	Y	94.7	Very high	89.4	Confident	56 Å²	56	38.9 Å²	38.9	22%	0.22	19%	0.192	C	C	.	.			trans	-76.2	115.1	178.9	-178.7	-135.7	0	0	0	110.9	L425 R435 D444 A446 F490 K494	L425-Y492 HydrophobicContact CD1-CD2 3.99Å; L425-Y492 HydrophobicContact CD1-CE2 3.7Å; L425-Y492 HydrophobicContact CD2-CE2 3.77Å; L425-Y492 HydrophobicContact CG-CE2 4.4Å; R435-Y492 HydrophobicContact CG-CD1 4.43Å; R435-Y492 HydrophobicContact CG-CD2 4.5Å; R435-Y492 HydrophobicContact CG-CE1 4.34Å; R435-Y492 HydrophobicContact CG-CE2 4.42Å; D444-Y492 HydrophobicContact CB-CD1 3.91Å; D444-Y492 HydrophobicContact CB-CG 4.49Å; D444-Y492 WeakPolarHBondContact O-CB 3.15Å; A446-Y492 HydrophobicContact CB-CD2 4.29Å; F490-Y492 PolarHBondContact O-N 3.16Å; Y492-K494 HydrophobicContact CD1-CD 4.24Å; Y492-K494 HydrophobicContact CD1-CG 3.37Å; Y492-K494 HydrophobicContact CE1-CB 4.48Å; Y492-K494 HydrophobicContact CE1-CG 3.56Å; Y492-K494 HydrophobicContact CG-CG 4.23Å; Y492-K494 PolarHBondContact O-N 3.21Å
493	C	94.3	Very high	89.5	Confident	15 Å²	15	37.7 Å²	37.7	10%	0.101	19%	0.185	C	C	.	.			trans	-78.6	86.1	177.2	-64.5	0	0	0	0	111.3	D491 G495 L543 Y544	D491-C493 PolarHBondContact O-N 2.89Å; C493-G495 VanDerWaalsContact C-N 3.25Å; C493-G495 PolarHBondContact O-N 3.13Å; C493-L543 HydrophobicContact CB-CB 3.76Å; C493-L543 HydrophobicContact CB-CD2 3.82Å; C493-L543 HydrophobicContact CB-CG 4.47Å; C493-Y544 CarbonylContact C-O 3.44Å; C493-Y544 WeakPolarHBondContact CB-O 3.46Å
494	K	93.4	Very high	89.9	Confident	126 Å²	126	35.9 Å²	35.9	55%	0.548	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-20.5	-176.2	-68	175.8	-178.4	179.7	0	113.7	Y492 G496 L545	Y492-K494 HydrophobicContact CD1-CD 4.24Å; Y492-K494 HydrophobicContact CD1-CG 3.37Å; Y492-K494 HydrophobicContact CE1-CB 4.48Å; Y492-K494 HydrophobicContact CE1-CG 3.56Å; Y492-K494 HydrophobicContact CG-CG 4.23Å; Y492-K494 PolarHBondContact O-N 3.21Å; K494-G496 VanDerWaalsContact C-N 3.29Å; K494-G496 PolarHBondContact O-N 3.26Å; K494-L545 PolarHBondContact N-O 3.42Å
495	G	92.2	Very high	89.8	Confident	3 Å²	3	33.1 Å²	33.1	3%	0.031	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-13.1	-176.5	0	0	0	0	0	114.6	C493 R501 Y544 D546	C493-G495 VanDerWaalsContact C-N 3.25Å; C493-G495 PolarHBondContact O-N 3.13Å; G495-R501 VanDerWaalsContact O-CD 3.24Å; G495-R501 WeakPolarHBondContact O-CD 3.35Å; G495-R501 WeakPolarHBondContact O-CG 3.39Å; G495-Y544 VanDerWaalsContact CA-O 3.27Å; G495-Y544 WeakPolarHBondContact CA-O 3.48Å; G495-Y544 PolarHBondContact N-O 3.12Å; G495-D546 VanDerWaalsContact CA-O 3.25Å; G495-D546 WeakPolarHBondContact CA-O 3.41Å
496	G	92	Very high	88.7	Confident	29 Å²	29	38 Å²	38	30%	0.299	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75.6	-172.5	179.2	0	0	0	0	0	113.7	K494 L543 Y544	K494-G496 VanDerWaalsContact C-N 3.29Å; K494-G496 PolarHBondContact O-N 3.26Å; G496-L543 CarbonylContact O-C 3.4Å; G496-L543 VanDerWaalsContact O-CA 3.23Å; G496-L543 WeakPolarHBondContact O-CA 3.49Å; G496-L543 WeakPolarHBondContact O-CB 3.32Å; G496-Y544 PolarHBondContact O-N 3.38Å
497	E	92.3	Very high	87.7	Confident	49 Å²	49	41.4 Å²	41.4	23%	0.229	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	141.9	-175.8	-64.9	175.3	-131.7	0	0	112.6	L499 D500 R501 L543 K697	E497-L499 PolarHBondContact O-N 3.34Å; E497-D500 PolarHBondContact O-N 2.88Å; E497-R501 WeakPolarHBondContact O-CG 3.07Å; E497-R501 PolarHBondContact O-N 3.44Å; E497-L543 HydrophobicContact CG-CD1 4.36Å; E497-L543 HydrophobicContact CG-CG 4.41Å; E497-K697 IonicContact OE1-NZ 3.47Å; E497-K697 PolarHBondContact OE1-NZ 3.38Å; E497-K697 WeakPolarHBondContact OE2-CE 3.15Å; E497-K697 IonicContact OE2-NZ 3.59Å; E497-K697 PolarHBondContact OE2-NZ 3.24Å
498	L	91.8	Very high	87.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-52.8	-49.3	179.8	171.5	59.5	0	0	0	112.9	D500 R501 I502 A516 I520 V542 Y544 L554 L604 M608	L498-D500 PolarHBondContact O-N 3.35Å; L498-R501 PolarHBondContact O-N 3.01Å; L498-I502 HydrophobicContact CD1-CD1 3.53Å; L498-I502 HydrophobicContact CD1-CG1 4.06Å; L498-I502 HydrophobicContact CG-CD1 3.84Å; L498-I502 WeakPolarHBondContact O-CG1 3.47Å; L498-I502 PolarHBondContact O-N 3.21Å; L498-A516 HydrophobicContact CD1-CB 4.39Å; L498-I520 HydrophobicContact CD2-CD1 3.7Å; L498-V542 HydrophobicContact CB-CB 4.37Å; L498-V542 HydrophobicContact CB-CG1 4.12Å; L498-V542 WeakPolarHBondContact CB-O 3.23Å; L498-V542 HydrophobicContact CD2-CB 4.48Å; L498-V542 HydrophobicContact CD2-CG1 3.89Å; L498-V542 PolarHBondContact N-O 3.11Å; L498-Y544 HydrophobicContact CD1-CE2 3.64Å; L498-L554 HydrophobicContact CB-CD2 4.34Å; L498-L554 HydrophobicContact CD1-CD2 4.08Å; L498-L604 HydrophobicContact CD2-CD1 4.18Å; L498-L604 HydrophobicContact CD2-CD2 4.23Å; L498-M608 HydrophobicContact CD2-SD 4.03Å
499	L	87.8	Confident	87.1	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	20%	0.202	C	C	.	.	H	α-helix	trans	-66.5	-35.3	-177.2	-76.2	-176.4	0	0	0	112.9	E497 R501 I502 L503 P539 L604 A607 M608 V696 V700	E497-L499 PolarHBondContact O-N 3.34Å; L499-R501 VanDerWaalsContact C-N 3.31Å; L499-R501 PolarHBondContact O-N 2.9Å; L499-I502 PolarHBondContact O-N 3.47Å; L499-L503 WeakPolarHBondContact O-CB 3.45Å; L499-L503 VanDerWaalsContact O-CG 3.26Å; L499-L503 WeakPolarHBondContact O-CG 3.3Å; L499-L503 PolarHBondContact O-N 3.41Å; L499-P539 HydrophobicContact CD1-CB 3.34Å; L499-P539 HydrophobicContact CD1-CG 3.76Å; L499-P539 HydrophobicContact CG-CB 3.83Å; L499-L604 HydrophobicContact CD2-CD1 4.18Å; L499-L604 HydrophobicContact CG-CD1 4.2Å; L499-A607 HydrophobicContact CD1-CB 4.04Å; L499-A607 HydrophobicContact CD2-CB 4.05Å; L499-M608 HydrophobicContact CD2-CG 3.85Å; L499-V696 HydrophobicContact CD1-CG1 4.25Å; L499-V700 HydrophobicContact CD1-CG2 4.4Å
500	D	88	Confident	87.1	Confident	33 Å²	33	40.4 Å²	40.4	18%	0.176	20%	0.203	C	C	.	.	H	α-helix	trans	-60	-46.4	174.8	-78.7	-30.9	0	0	0	110.9	E497 L498 I502 L503 Q504 S693 K697	E497-D500 PolarHBondContact O-N 2.88Å; L498-D500 PolarHBondContact O-N 3.35Å; D500-I502 VanDerWaalsContact C-N 3.29Å; D500-I502 PolarHBondContact O-N 3.26Å; D500-L503 PolarHBondContact O-N 2.68Å; D500-Q504 VanDerWaalsContact O-CB 3.24Å; D500-Q504 WeakPolarHBondContact O-CB 3.34Å; D500-Q504 WeakPolarHBondContact O-CG 3.08Å; D500-Q504 PolarHBondContact O-N 2.78Å; D500-S693 WeakPolarHBondContact OD1-CB 3.25Å; D500-S693 PolarHBondContact OD1-OG 2.89Å; D500-K697 VanDerWaalsContact CG-CE 3.4Å; D500-K697 WeakPolarHBondContact OD1-CE 3.4Å; D500-K697 IonicContact OD1-NZ 2.73Å; D500-K697 PolarHBondContact OD1-NZ 3.08Å; D500-K697 VanDerWaalsContact OD1-NZ 3.13Å; D500-K697 WeakPolarHBondContact OD2-CE 3.35Å; D500-K697 IonicContact OD2-NZ 3.49Å; D500-K697 PolarHBondContact OD2-NZ 3.18Å
501	R	86.8	Confident	87	Confident	59 Å²	59	42 Å²	42	22%	0.223	21%	0.211	C	C	.	.	H	α-helix	trans	-65.5	-35.7	-178.7	-61	-60.1	-70.7	-150.9	-6.9	111.6	G495 E497 L498 L499 R505 Y544 S547 N549	G495-R501 VanDerWaalsContact O-CD 3.24Å; G495-R501 WeakPolarHBondContact O-CD 3.35Å; G495-R501 WeakPolarHBondContact O-CG 3.39Å; E497-R501 WeakPolarHBondContact O-CG 3.07Å; E497-R501 PolarHBondContact O-N 3.44Å; L498-R501 PolarHBondContact O-N 3.01Å; L499-R501 VanDerWaalsContact C-N 3.31Å; L499-R501 PolarHBondContact O-N 2.9Å; R501-R505 WeakPolarHBondContact O-CB 3.49Å; R501-R505 WeakPolarHBondContact O-CD 3.44Å; R501-R505 WeakPolarHBondContact O-CG 3.43Å; R501-R505 PolarHBondContact O-N 3.18Å; R501-Y544 HydrophobicContact CB-CD2 4.23Å; R501-Y544 HydrophobicContact CB-CE2 3.97Å; R501-Y544 HydrophobicContact CG-CD2 3.88Å; R501-Y544 HydrophobicContact CG-CE2 4.15Å; R501-S547 PolarHBondContact NH2-O 3.24Å; R501-N549 VanDerWaalsContact CZ-OD1 3.27Å; R501-N549 PolarHBondContact NE-OD1 2.8Å; R501-N549 PolarHBondContact NH2-ND2 2.89Å; R501-N549 PolarHBondContact NH2-OD1 3.02Å
502	I	85.7	Confident	86.9	Confident	2 Å²	2	43.3 Å²	43.3	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-68.3	-50.3	175.4	-69.7	173.3	0	0	0	111	L498 L499 D500 Q504 R505 F508 M608 F689	L498-I502 HydrophobicContact CD1-CD1 3.53Å; L498-I502 HydrophobicContact CD1-CG1 4.06Å; L498-I502 HydrophobicContact CG-CD1 3.84Å; L498-I502 WeakPolarHBondContact O-CG1 3.47Å; L498-I502 PolarHBondContact O-N 3.21Å; L499-I502 PolarHBondContact O-N 3.47Å; D500-I502 VanDerWaalsContact C-N 3.29Å; D500-I502 PolarHBondContact O-N 3.26Å; I502-Q504 PolarHBondContact O-N 3.41Å; I502-R505 PolarHBondContact O-N 3.08Å; I502-F508 HydrophobicContact CB-CD1 4.49Å; I502-F508 HydrophobicContact CB-CE1 4.43Å; I502-F508 HydrophobicContact CB-CE2 4.49Å; I502-F508 HydrophobicContact CB-CG 4.5Å; I502-F508 HydrophobicContact CB-CZ 4.43Å; I502-F508 HydrophobicContact CD1-CE1 3.77Å; I502-F508 HydrophobicContact CD1-CE2 3.99Å; I502-F508 HydrophobicContact CD1-CZ 3.4Å; I502-F508 HydrophobicContact CG1-CD1 4.42Å; I502-F508 HydrophobicContact CG1-CD2 4.05Å; I502-F508 HydrophobicContact CG1-CE1 3.97Å; I502-F508 HydrophobicContact CG1-CE2 3.6Å; I502-F508 HydrophobicContact CG1-CG 4.43Å; I502-F508 HydrophobicContact CG1-CZ 3.53Å; I502-F508 HydrophobicContact CG2-CB 4.27Å; I502-F508 HydrophobicContact CG2-CD1 3.44Å; I502-F508 VanDerWaalsContact CG2-CD1 3.44Å; I502-F508 HydrophobicContact CG2-CD2 4.19Å; I502-F508 HydrophobicContact CG2-CE1 3.63Å; I502-F508 HydrophobicContact CG2-CE2 4.38Å; I502-F508 HydrophobicContact CG2-CG 3.72Å; I502-F508 HydrophobicContact CG2-CZ 4.11Å; I502-M608 HydrophobicContact CD1-CB 4.27Å; I502-M608 HydrophobicContact CD1-CE 3.69Å; I502-M608 HydrophobicContact CD1-CG 3.64Å; I502-M608 HydrophobicContact CD1-SD 4.16Å; I502-F689 HydrophobicContact CG2-CE2 3.81Å; I502-F689 HydrophobicContact CG2-CZ 3.77Å
503	L	82.8	Confident	86.9	Confident	24 Å²	24	40.6 Å²	40.6	13%	0.126	21%	0.205	C	C	.	.	H	α-helix	trans	-75	-26.5	-172.7	-64.7	173.5	0	0	0	113	L499 D500 R505 F689 V696	L499-L503 WeakPolarHBondContact O-CB 3.45Å; L499-L503 VanDerWaalsContact O-CG 3.26Å; L499-L503 WeakPolarHBondContact O-CG 3.3Å; L499-L503 PolarHBondContact O-N 3.41Å; D500-L503 PolarHBondContact O-N 2.68Å; L503-R505 VanDerWaalsContact C-N 3.31Å; L503-F689 HydrophobicContact CD2-CB 4.06Å; L503-F689 HydrophobicContact CD2-CD1 3.89Å; L503-F689 HydrophobicContact CD2-CD2 3.62Å; L503-F689 HydrophobicContact CD2-CE1 4.21Å; L503-F689 HydrophobicContact CD2-CE2 3.97Å; L503-F689 HydrophobicContact CD2-CG 3.57Å; L503-F689 HydrophobicContact CD2-CZ 4.24Å; L503-V696 HydrophobicContact CD1-CB 3.81Å; L503-V696 HydrophobicContact CD1-CG1 4.15Å; L503-V696 HydrophobicContact CD1-CG2 3.76Å
504	Q	81	Confident	86.9	Confident	129 Å²	129	39.9 Å²	39.9	60%	0.603	20%	0.201	S	C	*	.	H	α-helix	trans	-75	-21.9	171.6	-71.3	171.5	7	0	0	112.7	D500 I502 N506	D500-Q504 VanDerWaalsContact O-CB 3.24Å; D500-Q504 WeakPolarHBondContact O-CB 3.34Å; D500-Q504 WeakPolarHBondContact O-CG 3.08Å; D500-Q504 PolarHBondContact O-N 2.78Å; I502-Q504 PolarHBondContact O-N 3.41Å; Q504-N506 PolarHBondContact O-N 3.33Å
505	R	76.4	Confident	87	Confident	67 Å²	67	35.8 Å²	35.8	25%	0.253	19%	0.188	S	C	.	.			trans	-82.8	113.3	179.5	-77.4	178.8	69.6	-163.4	-8.8	109.7	R501 I502 L503 C507 E512	R501-R505 WeakPolarHBondContact O-CB 3.49Å; R501-R505 WeakPolarHBondContact O-CD 3.44Å; R501-R505 WeakPolarHBondContact O-CG 3.43Å; R501-R505 PolarHBondContact O-N 3.18Å; I502-R505 PolarHBondContact O-N 3.08Å; L503-R505 VanDerWaalsContact C-N 3.31Å; R505-C507 PolarHBondContact NH2-O 3.28Å; R505-C507 VanDerWaalsContact NH2-O 3.17Å; R505-C507 PolarHBondContact O-N 3.45Å; R505-E512 IonicContact CZ-OE1 3.41Å; R505-E512 VanDerWaalsContact CZ-OE1 3.27Å; R505-E512 IonicContact NH1-OE1 3.44Å; R505-E512 PolarHBondContact NH1-OE1 3.25Å; R505-E512 IonicContact NH2-OE1 3.77Å; R505-E512 PolarHBondContact NH2-OE1 3.13Å; R505-E512 IonicContact NH2-OE2 2.68Å
506	N	63.3	Low	87.1	Confident	128 Å²	128	35.7 Å²	35.7	68%	0.684	19%	0.186	S	C	*	.	S	Bend	trans	-64.6	17.2	166.1	-77.3	-24.8	0	0	0	113.3	Q504 K686	Q504-N506 PolarHBondContact O-N 3.33Å; N506-K686 WeakPolarHBondContact O-CD 3.39Å; N506-K686 WeakPolarHBondContact O-CE 3.42Å; N506-K686 PolarHBondContact O-NZ 3.39Å
507	C	67.4	Low	87.3	Confident	70 Å²	70	34.3 Å²	34.3	47%	0.473	17%	0.172	S	C	.	.			trans	-158.1	69.6	-177.9	51.2	0	0	0	0	110	R505 E512	R505-C507 PolarHBondContact NH2-O 3.28Å; R505-C507 VanDerWaalsContact NH2-O 3.17Å; R505-C507 PolarHBondContact O-N 3.45Å; C507-E512 VanDerWaalsContact O-OE2 3.09Å
508	F	84.1	Confident	87.5	Confident	3 Å²	3	36.3 Å²	36.3	1%	0.013	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-112	133.8	172.9	-162.7	-112.2	0	0	0	110.6	I502 E512 A513 M608 I687 F689	I502-F508 HydrophobicContact CB-CD1 4.49Å; I502-F508 HydrophobicContact CB-CE1 4.43Å; I502-F508 HydrophobicContact CB-CE2 4.49Å; I502-F508 HydrophobicContact CB-CG 4.5Å; I502-F508 HydrophobicContact CB-CZ 4.43Å; I502-F508 HydrophobicContact CD1-CE1 3.77Å; I502-F508 HydrophobicContact CD1-CE2 3.99Å; I502-F508 HydrophobicContact CD1-CZ 3.4Å; I502-F508 HydrophobicContact CG1-CD1 4.42Å; I502-F508 HydrophobicContact CG1-CD2 4.05Å; I502-F508 HydrophobicContact CG1-CE1 3.97Å; I502-F508 HydrophobicContact CG1-CE2 3.6Å; I502-F508 HydrophobicContact CG1-CG 4.43Å; I502-F508 HydrophobicContact CG1-CZ 3.53Å; I502-F508 HydrophobicContact CG2-CB 4.27Å; I502-F508 HydrophobicContact CG2-CD1 3.44Å; I502-F508 VanDerWaalsContact CG2-CD1 3.44Å; I502-F508 HydrophobicContact CG2-CD2 4.19Å; I502-F508 HydrophobicContact CG2-CE1 3.63Å; I502-F508 HydrophobicContact CG2-CE2 4.38Å; I502-F508 HydrophobicContact CG2-CG 3.72Å; I502-F508 HydrophobicContact CG2-CZ 4.11Å; F508-E512 VanDerWaalsContact CA-OE2 3.25Å; F508-E512 WeakPolarHBondContact CA-OE2 3.28Å; F508-E512 HydrophobicContact CD2-CB 3.79Å; F508-E512 HydrophobicContact CE2-CB 3.46Å; F508-E512 VanDerWaalsContact CE2-CB 3.46Å; F508-E512 HydrophobicContact CZ-CB 4.06Å; F508-A513 HydrophobicContact CD1-CB 4.49Å; F508-A513 HydrophobicContact CE1-CB 3.51Å; F508-A513 VanDerWaalsContact CZ-CA 3.45Å; F508-A513 HydrophobicContact CZ-CB 3.87Å; F508-M608 HydrophobicContact CE1-CB 4.44Å; F508-M608 HydrophobicContact CE1-CE 4.3Å; F508-M608 HydrophobicContact CZ-CE 3.98Å; F508-I687 WeakPolarHBondContact O-CB 3.35Å; F508-I687 WeakPolarHBondContact O-CG1 3.44Å; F508-I687 PolarHBondContact O-N 2.67Å; F508-F689 HydrophobicContact CB-CE2 4.19Å; F508-F689 HydrophobicContact CD1-CZ 4.18Å
509	S	91.8	Very high	87.7	Confident	1 Å²	1	37 Å²	37	1%	0.007	18%	0.182	C	C	.	.			trans	-120.3	169.4	-179.2	73.7	0	0	0	0	113.3	Q511 E512 A513 N684 K685	S509-Q511 PolarHBondContact O-N 3.21Å; S509-Q511 PolarHBondContact OG-N 2.94Å; S509-E512 PolarHBondContact N-OE2 2.95Å; S509-E512 PolarHBondContact O-N 3.36Å; S509-E512 PolarHBondContact OG-N 3.35Å; S509-A513 PolarHBondContact O-N 2.9Å; S509-N684 WeakPolarHBondContact CB-OD1 3.24Å; S509-N684 PolarHBondContact OG-OD1 2.87Å; S509-K685 WeakPolarHBondContact CA-O 3.15Å; S509-K685 WeakPolarHBondContact CB-O 3.14Å
510	E	93.8	Very high	88.1	Confident	4 Å²	4	37 Å²	37	2%	0.019	18%	0.182	C	C	.	.	H	α-helix	trans	-61	-32.7	173.9	-69.5	-169.2	-125.1	0	0	112	A513 S514 L609 I645 S646 W675 M682 P683 I687	E510-A513 PolarHBondContact O-N 3.27Å; E510-S514 VanDerWaalsContact O-CB 3.29Å; E510-S514 WeakPolarHBondContact O-CB 3.42Å; E510-S514 PolarHBondContact O-N 2.87Å; E510-L609 HydrophobicContact CG-CD2 4Å; E510-I645 HydrophobicContact CG-CD1 4.15Å; E510-I645 WeakPolarHBondContact OE1-CA 2.98Å; E510-S646 PolarHBondContact OE1-N 3.45Å; E510-S646 WeakPolarHBondContact OE2-CB 3.4Å; E510-S646 PolarHBondContact OE2-OG 2.82Å; E510-W675 PolarHBondContact OE2-NE1 3.02Å; E510-M682 HydrophobicContact CB-CB 4.14Å; E510-P683 PolarHBondContact N-O 3.45Å; E510-I687 HydrophobicContact CG-CD1 4.35Å
511	Q	93.8	Very high	88.6	Confident	56 Å²	56	35.4 Å²	35.4	26%	0.262	17%	0.173	S	C	.	.	H	α-helix	trans	-63.4	-42.5	176.1	177.8	175.7	13.7	0	0	112.4	S509 S515 A679 M682	S509-Q511 PolarHBondContact O-N 3.21Å; S509-Q511 PolarHBondContact OG-N 2.94Å; Q511-S515 WeakPolarHBondContact O-CB 3.42Å; Q511-S515 PolarHBondContact O-N 2.84Å; Q511-S515 PolarHBondContact O-OG 2.71Å; Q511-A679 WeakPolarHBondContact CG-O 3.32Å; Q511-M682 HydrophobicContact CB-CB 4.23Å
512	E	91.9	Very high	89.1	Confident	53 Å²	53	36 Å²	36	25%	0.248	18%	0.179	C	C	.	.	H	α-helix	trans	-71.1	-39.9	176.5	-66.1	178.5	109.5	0	0	111.1	R505 C507 F508 S509 S514 S515 A516	R505-E512 IonicContact CZ-OE1 3.41Å; R505-E512 VanDerWaalsContact CZ-OE1 3.27Å; R505-E512 IonicContact NH1-OE1 3.44Å; R505-E512 PolarHBondContact NH1-OE1 3.25Å; R505-E512 IonicContact NH2-OE1 3.77Å; R505-E512 PolarHBondContact NH2-OE1 3.13Å; R505-E512 IonicContact NH2-OE2 2.68Å; C507-E512 VanDerWaalsContact O-OE2 3.09Å; F508-E512 VanDerWaalsContact CA-OE2 3.25Å; F508-E512 WeakPolarHBondContact CA-OE2 3.28Å; F508-E512 HydrophobicContact CD2-CB 3.79Å; F508-E512 HydrophobicContact CE2-CB 3.46Å; F508-E512 VanDerWaalsContact CE2-CB 3.46Å; F508-E512 HydrophobicContact CZ-CB 4.06Å; S509-E512 PolarHBondContact N-OE2 2.95Å; S509-E512 PolarHBondContact O-N 3.36Å; S509-E512 PolarHBondContact OG-N 3.35Å; E512-S514 VanDerWaalsContact C-N 3.32Å; E512-S514 PolarHBondContact O-N 3.34Å; E512-S515 PolarHBondContact O-N 3.22Å; E512-A516 WeakPolarHBondContact O-CB 3.19Å; E512-A516 PolarHBondContact O-N 3.2Å
513	A	93.6	Very high	89.6	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.4	-44.9	174.1	0	0	0	0	0	112	F508 S509 E510 L517 M608 L609 W675	F508-A513 HydrophobicContact CD1-CB 4.49Å; F508-A513 HydrophobicContact CE1-CB 3.51Å; F508-A513 VanDerWaalsContact CZ-CA 3.45Å; F508-A513 HydrophobicContact CZ-CB 3.87Å; S509-A513 PolarHBondContact O-N 2.9Å; E510-A513 PolarHBondContact O-N 3.27Å; A513-L517 WeakPolarHBondContact O-CB 3.39Å; A513-L517 PolarHBondContact O-N 3.22Å; A513-M608 HydrophobicContact CB-CE 3.93Å; A513-M608 VanDerWaalsContact O-CE 3.31Å; A513-M608 WeakPolarHBondContact O-CE 3.41Å; A513-L609 HydrophobicContact CB-CD2 3.68Å; A513-W675 HydrophobicContact CB-CH2 3.86Å; A513-W675 HydrophobicContact CB-CZ2 4.06Å
514	S	95.8	Very high	90.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66	-45.1	179.2	178.4	0	0	0	0	112.1	E510 E512 A516 L517 R518 W675 A679	E510-S514 VanDerWaalsContact O-CB 3.29Å; E510-S514 WeakPolarHBondContact O-CB 3.42Å; E510-S514 PolarHBondContact O-N 2.87Å; E512-S514 VanDerWaalsContact C-N 3.32Å; E512-S514 PolarHBondContact O-N 3.34Å; S514-A516 PolarHBondContact O-N 2.84Å; S514-L517 PolarHBondContact O-N 2.98Å; S514-R518 VanDerWaalsContact O-CB 3.28Å; S514-R518 WeakPolarHBondContact O-CB 3.49Å; S514-R518 PolarHBondContact O-N 3.27Å; S514-W675 VanDerWaalsContact CA-CZ3 3.46Å; S514-W675 VanDerWaalsContact N-CH2 3.33Å; S514-W675 PolarHBondContact OG-O 3.2Å; S514-A679 WeakPolarHBondContact OG-CA 3.3Å; S514-A679 WeakPolarHBondContact OG-CB 3.34Å
515	S	94.3	Very high	91	Very high	39 Å²	39	29.4 Å²	29.4	27%	0.273	15%	0.15	S	C	.	.	H	α-helix	trans	-60.6	-44.3	177.3	-55.3	0	0	0	0	112.2	Q511 E512	Q511-S515 WeakPolarHBondContact O-CB 3.42Å; Q511-S515 PolarHBondContact O-N 2.84Å; Q511-S515 PolarHBondContact O-OG 2.71Å; E512-S515 PolarHBondContact O-N 3.22Å
516	A	94.3	Very high	91.9	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.008	15%	0.148	C	C	.	.	H	α-helix	trans	-66.3	-46.3	176.8	0	0	0	0	0	112.3	L498 E512 S514 R518 V519 I520 L554 M608	L498-A516 HydrophobicContact CD1-CB 4.39Å; E512-A516 WeakPolarHBondContact O-CB 3.19Å; E512-A516 PolarHBondContact O-N 3.2Å; S514-A516 PolarHBondContact O-N 2.84Å; A516-R518 VanDerWaalsContact C-N 3.29Å; A516-R518 PolarHBondContact O-N 2.61Å; A516-V519 PolarHBondContact O-N 2.67Å; A516-I520 WeakPolarHBondContact O-CG1 3.38Å; A516-L554 HydrophobicContact CB-CD1 4.04Å; A516-M608 HydrophobicContact CB-CE 3.93Å
517	L	96	Very high	93.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65	-35.3	179.6	-169.6	63.8	0	0	0	111.8	A513 S514 V519 I520 V521 L601 L604 M605 W675 I676	A513-L517 WeakPolarHBondContact O-CB 3.39Å; A513-L517 PolarHBondContact O-N 3.22Å; S514-L517 PolarHBondContact O-N 2.98Å; L517-V519 PolarHBondContact O-N 2.96Å; L517-I520 PolarHBondContact O-N 3.46Å; L517-V521 HydrophobicContact CD1-CG2 4.36Å; L517-V521 HydrophobicContact CG-CG2 4Å; L517-V521 WeakPolarHBondContact O-CG2 3.17Å; L517-V521 PolarHBondContact O-N 2.79Å; L517-L601 HydrophobicContact CD1-CD2 4.29Å; L517-L604 HydrophobicContact CD1-CD2 4.25Å; L517-M605 HydrophobicContact CD2-CB 3.69Å; L517-M605 HydrophobicContact CD2-CG 3.75Å; L517-M605 HydrophobicContact CD2-SD 3.8Å; L517-W675 HydrophobicContact CB-CZ3 4.25Å; L517-W675 HydrophobicContact CD2-CZ3 3.78Å; L517-I676 HydrophobicContact CB-CD1 4.14Å; L517-I676 HydrophobicContact CD2-CD1 4.17Å; L517-I676 HydrophobicContact CG-CD1 4.25Å
518	R	96.9	Very high	94.6	Very high	92 Å²	92	20.1 Å²	20.1	35%	0.347	10%	0.096	S	C	.	.	H	α-helix	trans	-55	-50.4	177.1	-179.7	172.3	177.6	148.3	-3.2	112.2	S514 A516 I520 V521 E522 I676	S514-R518 VanDerWaalsContact O-CB 3.28Å; S514-R518 WeakPolarHBondContact O-CB 3.49Å; S514-R518 PolarHBondContact O-N 3.27Å; A516-R518 VanDerWaalsContact C-N 3.29Å; A516-R518 PolarHBondContact O-N 2.61Å; R518-I520 VanDerWaalsContact C-N 3.28Å; R518-I520 PolarHBondContact O-N 2.77Å; R518-V521 PolarHBondContact O-N 2.83Å; R518-E522 HydrophobicContact CG-CG 4.27Å; R518-E522 WeakPolarHBondContact CG-OE1 3.29Å; R518-E522 IonicContact CZ-OE1 2.99Å; R518-E522 IonicContact NE-OE1 3.27Å; R518-E522 PolarHBondContact NE-OE1 2.71Å; R518-E522 IonicContact NH2-OE1 3.59Å; R518-E522 PolarHBondContact NH2-OE1 2.94Å; R518-E522 WeakPolarHBondContact O-CB 3.48Å; R518-E522 WeakPolarHBondContact O-CG 3.37Å; R518-E522 PolarHBondContact O-N 2.75Å; R518-I676 HydrophobicContact CB-CD1 4.47Å; R518-I676 HydrophobicContact CB-CG2 3.91Å; R518-I676 HydrophobicContact CG-CG2 3.81Å; R518-I676 PolarHBondContact NH1-O 3.11Å
519	V	96.3	Very high	94.8	Very high	13 Å²	13	22.8 Å²	22.8	8%	0.079	12%	0.115	C	C	.	.	H	α-helix	trans	-58.5	-42	179.5	173	0	0	0	0	111.5	N472 A516 L517 E522 T523 P551 L554	N472-V519 HydrophobicContact CB-CG1 4Å; N472-V519 WeakPolarHBondContact ND2-CG1 3.47Å; A516-V519 PolarHBondContact O-N 2.67Å; L517-V519 PolarHBondContact O-N 2.96Å; V519-E522 PolarHBondContact O-N 3.28Å; V519-T523 PolarHBondContact O-N 2.82Å; V519-T523 VanDerWaalsContact O-N 3.09Å; V519-T523 PolarHBondContact O-OG1 3.21Å; V519-P551 HydrophobicContact CG2-CB 3.73Å; V519-L554 HydrophobicContact CG1-CB 4.41Å
520	I	96.9	Very high	94.5	Very high	2 Å²	2	26 Å²	26	1%	0.01	13%	0.13	C	C	.	.	H	α-helix	trans	-66.7	-45.3	179	-54.2	166.2	0	0	0	110	L498 A516 L517 R518 T523 V524 V542 L554 I556 L601 L604	L498-I520 HydrophobicContact CD2-CD1 3.7Å; A516-I520 WeakPolarHBondContact O-CG1 3.38Å; L517-I520 PolarHBondContact O-N 3.46Å; R518-I520 VanDerWaalsContact C-N 3.28Å; R518-I520 PolarHBondContact O-N 2.77Å; I520-T523 WeakPolarHBondContact O-CB 3.19Å; I520-T523 PolarHBondContact O-N 2.81Å; I520-V524 HydrophobicContact CG2-CG2 4.49Å; I520-V524 WeakPolarHBondContact O-CG2 3.21Å; I520-V524 PolarHBondContact O-N 2.85Å; I520-V542 HydrophobicContact CD1-CG1 3.73Å; I520-V542 HydrophobicContact CD1-CG2 4.47Å; I520-V542 HydrophobicContact CG1-CG1 4.09Å; I520-L554 HydrophobicContact CD1-CD1 4.43Å; I520-L554 HydrophobicContact CG1-CD1 4.25Å; I520-I556 HydrophobicContact CG2-CD1 3.96Å; I520-I556 HydrophobicContact CG2-CG1 4.36Å; I520-L601 HydrophobicContact CB-CD2 4.33Å; I520-L601 HydrophobicContact CG2-CD2 3.44Å; I520-L601 VanDerWaalsContact CG2-CD2 3.44Å; I520-L604 HydrophobicContact CD1-CD2 3.7Å
521	V	97.4	Very high	94.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.1	-39.6	178.8	178.7	0	0	0	0	111.2	L517 R518 T523 V524 A525 L601 A667 V670 L671	L517-V521 HydrophobicContact CD1-CG2 4.36Å; L517-V521 HydrophobicContact CG-CG2 4Å; L517-V521 WeakPolarHBondContact O-CG2 3.17Å; L517-V521 PolarHBondContact O-N 2.79Å; R518-V521 PolarHBondContact O-N 2.83Å; V521-T523 VanDerWaalsContact C-N 3.29Å; V521-T523 PolarHBondContact O-N 2.88Å; V521-V524 PolarHBondContact O-N 2.83Å; V521-A525 VanDerWaalsContact O-CB 3.25Å; V521-A525 WeakPolarHBondContact O-CB 3.22Å; V521-A525 PolarHBondContact O-N 3.46Å; V521-L601 HydrophobicContact CG2-CD1 4.07Å; V521-A667 HydrophobicContact CG1-CB 4.41Å; V521-A667 VanDerWaalsContact CG1-O 3.31Å; V521-A667 WeakPolarHBondContact CG1-O 3.47Å; V521-V670 HydrophobicContact CB-CG1 4.38Å; V521-V670 HydrophobicContact CG1-CB 3.83Å; V521-V670 HydrophobicContact CG1-CG1 3.75Å; V521-V670 HydrophobicContact CG2-CG1 3.78Å; V521-L671 HydrophobicContact CB-CD2 3.82Å; V521-L671 HydrophobicContact CG1-CD2 3.48Å; V521-L671 VanDerWaalsContact CG1-CD2 3.48Å; V521-L671 HydrophobicContact CG1-CG 3.66Å
522	E	97.4	Very high	93.9	Very high	72 Å²	72	23.1 Å²	23.1	34%	0.336	12%	0.117	S	C	.	.	H	α-helix	trans	-59	-43.9	175.3	-75	173.9	175.2	0	0	110.3	R518 V519 A525 Y526 L671	R518-E522 HydrophobicContact CG-CG 4.27Å; R518-E522 WeakPolarHBondContact CG-OE1 3.29Å; R518-E522 IonicContact CZ-OE1 2.99Å; R518-E522 IonicContact NE-OE1 3.27Å; R518-E522 PolarHBondContact NE-OE1 2.71Å; R518-E522 IonicContact NH2-OE1 3.59Å; R518-E522 PolarHBondContact NH2-OE1 2.94Å; R518-E522 WeakPolarHBondContact O-CB 3.48Å; R518-E522 WeakPolarHBondContact O-CG 3.37Å; R518-E522 PolarHBondContact O-N 2.75Å; V519-E522 PolarHBondContact O-N 3.28Å; E522-A525 PolarHBondContact O-N 3.12Å; E522-Y526 WeakPolarHBondContact O-CB 3.44Å; E522-Y526 PolarHBondContact O-N 3.19Å; E522-L671 HydrophobicContact CB-CD2 4.42Å; E522-L671 HydrophobicContact CG-CD1 4.11Å; E522-L671 HydrophobicContact CG-CD2 3.5Å; E522-L671 HydrophobicContact CG-CG 4.47Å
523	T	97.2	Very high	93.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-64.6	-44.3	176.4	-50.3	0	0	0	0	112.2	H470 N472 I473 V519 I520 V521 Y526 L527 I556	H470-T523 PolarHBondContact CE1-OG1 2.82Å; N472-T523 HydrophobicContact CB-CG2 4.35Å; N472-T523 VanDerWaalsContact CB-OG1 3.22Å; N472-T523 WeakPolarHBondContact CB-OG1 3.33Å; I473-T523 HydrophobicContact CD1-CG2 4.04Å; I473-T523 HydrophobicContact CG1-CG2 3.57Å; V519-T523 PolarHBondContact O-N 2.82Å; V519-T523 VanDerWaalsContact O-N 3.09Å; V519-T523 PolarHBondContact O-OG1 3.21Å; I520-T523 WeakPolarHBondContact O-CB 3.19Å; I520-T523 PolarHBondContact O-N 2.81Å; V521-T523 VanDerWaalsContact C-N 3.29Å; V521-T523 PolarHBondContact O-N 2.88Å; T523-Y526 WeakPolarHBondContact O-CB 3.43Å; T523-Y526 PolarHBondContact O-N 3.23Å; T523-L527 WeakPolarHBondContact O-CG 3.43Å; T523-L527 PolarHBondContact O-N 3.38Å; T523-I556 HydrophobicContact CG2-CD1 3.69Å; T523-I556 HydrophobicContact CG2-CG1 4.37Å
524	V	96.8	Very high	93.8	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-68.3	-38.6	178.5	173.9	0	0	0	0	111.3	I520 V521 Y526 L527 H528 L537 I556 D597 L601 A667	I520-V524 HydrophobicContact CG2-CG2 4.49Å; I520-V524 WeakPolarHBondContact O-CG2 3.21Å; I520-V524 PolarHBondContact O-N 2.85Å; V521-V524 PolarHBondContact O-N 2.83Å; V524-Y526 VanDerWaalsContact C-N 3.33Å; V524-Y526 PolarHBondContact O-N 2.92Å; V524-L527 PolarHBondContact O-N 3.21Å; V524-H528 WeakPolarHBondContact CG1-NE2 3.4Å; V524-H528 WeakPolarHBondContact O-CB 3.18Å; V524-H528 PolarHBondContact O-CD2 3.18Å; V524-H528 VanDerWaalsContact O-CD2 3.32Å; V524-H528 VanDerWaalsContact O-CG 3.27Å; V524-H528 PolarHBondContact O-N 3.23Å; V524-L537 HydrophobicContact CG1-CD1 4.26Å; V524-L537 HydrophobicContact CG2-CD1 3.52Å; V524-L537 HydrophobicContact CG2-CD2 4.4Å; V524-I556 HydrophobicContact CG2-CD1 3.91Å; V524-D597 HydrophobicContact CG1-CB 4.23Å; V524-L601 HydrophobicContact CB-CD1 4.25Å; V524-L601 HydrophobicContact CG1-CD1 4.19Å; V524-L601 HydrophobicContact CG2-CD1 4.2Å; V524-A667 HydrophobicContact CG1-CB 4.12Å
525	A	95.9	Very high	93.4	Very high	16 Å²	16	25.2 Å²	25.2	13%	0.132	12%	0.123	C	C	.	.	H	α-helix	trans	-63.5	-39.9	174.7	0	0	0	0	0	111.5	V521 E522 H528 S529 A667 L671	V521-A525 VanDerWaalsContact O-CB 3.25Å; V521-A525 WeakPolarHBondContact O-CB 3.22Å; V521-A525 PolarHBondContact O-N 3.46Å; E522-A525 PolarHBondContact O-N 3.12Å; A525-H528 PolarHBondContact O-N 2.89Å; A525-S529 WeakPolarHBondContact O-CB 3.41Å; A525-S529 PolarHBondContact O-N 3.32Å; A525-S529 PolarHBondContact O-OG 3.32Å; A525-A667 HydrophobicContact CB-CB 4Å; A525-L671 HydrophobicContact CB-CD1 3.91Å
526	Y	95.2	Very high	93.1	Very high	54 Å²	54	23.8 Å²	23.8	21%	0.212	11%	0.112	C	C	.	.	H	α-helix	trans	-60.9	-47.3	171.9	168.9	-95.1	0	0	0	112	Y467 H469 H470 E522 T523 V524 H528 S529 H530	Y467-Y526 HydrophobicContact CD1-CE1 4.03Å; H469-Y526 PolarHBondContact NE2-OH 3.49Å; H470-Y526 HydrophobicContact CB-CE1 4.16Å; H470-Y526 AromaticContact CD2-CD1 3.67Å; H470-Y526 AromaticContact CD2-CE1 3.94Å; H470-Y526 AromaticContact CD2-CG 3.84Å; E522-Y526 WeakPolarHBondContact O-CB 3.44Å; E522-Y526 PolarHBondContact O-N 3.19Å; T523-Y526 WeakPolarHBondContact O-CB 3.43Å; T523-Y526 PolarHBondContact O-N 3.23Å; V524-Y526 VanDerWaalsContact C-N 3.33Å; V524-Y526 PolarHBondContact O-N 2.92Å; Y526-H528 PolarHBondContact O-N 2.82Å; Y526-S529 PolarHBondContact O-N 2.85Å; Y526-S529 PolarHBondContact O-OG 3.33Å; Y526-H530 AromaticContact CD2-CE1 3.55Å; Y526-H530 AromaticContact CD2-ND1 3.78Å; Y526-H530 AromaticContact CE2-CE1 3.19Å; Y526-H530 WeakPolarHBondContact CE2-CE1 3.46Å; Y526-H530 AromaticContact CE2-ND1 3.64Å; Y526-H530 AromaticContact CE2-NE2 3.98Å; Y526-H530 AromaticContact CZ-CE1 3.79Å; Y526-H530 AromaticContact CZ-ND1 3.93Å; Y526-H530 PolarHBondContact O-N 2.84Å; Y526-H530 PolarHBondContact O-ND1 3.16Å
527	L	94.3	Very high	92.8	Very high	1 Å²	1	24 Å²	24	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-60.5	-46.4	175.6	-72.6	171.5	0	0	0	111.4	Y467 I473 T523 V524 S529 H530 G531 V532 F559	Y467-L527 HydrophobicContact CG-CD2 4.37Å; I473-L527 HydrophobicContact CD1-CD1 4.22Å; I473-L527 HydrophobicContact CD1-CD2 3.76Å; I473-L527 HydrophobicContact CD1-CG 4.12Å; T523-L527 WeakPolarHBondContact O-CG 3.43Å; T523-L527 PolarHBondContact O-N 3.38Å; V524-L527 PolarHBondContact O-N 3.21Å; L527-S529 VanDerWaalsContact C-N 3.32Å; L527-S529 PolarHBondContact O-N 3.44Å; L527-H530 CarbonylContact O-C 3.57Å; L527-H530 PolarHBondContact O-N 3.46Å; L527-H530 VanDerWaalsContact O-N 3.13Å; L527-G531 PolarHBondContact O-N 3.47Å; L527-V532 CarbonylContact C-O 3.56Å; L527-V532 VanDerWaalsContact C-O 3.29Å; L527-V532 HydrophobicContact CB-CB 4.07Å; L527-V532 HydrophobicContact CB-CG1 4.43Å; L527-V532 HydrophobicContact CD2-CB 3.99Å; L527-V532 HydrophobicContact CD2-CG1 3.98Å; L527-V532 HydrophobicContact CD2-CG2 4.31Å; L527-V532 PolarHBondContact O-N 3.5Å; L527-F559 HydrophobicContact CD1-CE1 3.73Å; L527-F559 HydrophobicContact CD1-CZ 3.92Å; L527-F559 HydrophobicContact CD2-CE1 4Å
528	H	92.1	Very high	92.3	Very high	14 Å²	14	26.4 Å²	26.4	7%	0.065	12%	0.124	C	C	.	.	H	α-helix	trans	-62.5	-38.3	-179.9	-74.6	-169.1	0	0	0	111.8	V524 A525 Y526 H530 G531 V532 R594 D597	V524-H528 WeakPolarHBondContact CG1-NE2 3.4Å; V524-H528 WeakPolarHBondContact O-CB 3.18Å; V524-H528 PolarHBondContact O-CD2 3.18Å; V524-H528 VanDerWaalsContact O-CD2 3.32Å; V524-H528 VanDerWaalsContact O-CG 3.27Å; V524-H528 PolarHBondContact O-N 3.23Å; A525-H528 PolarHBondContact O-N 2.89Å; Y526-H528 PolarHBondContact O-N 2.82Å; H528-H530 VanDerWaalsContact C-N 3.26Å; H528-H530 PolarHBondContact O-N 2.9Å; H528-G531 PolarHBondContact O-N 3.41Å; H528-G531 VanDerWaalsContact O-N 3.11Å; H528-V532 PolarHBondContact CD2-O 3.39Å; H528-V532 PolarHBondContact N-O 3.47Å; H528-R594 PolarHBondContact CE1-O 3.28Å; H528-R594 PolarHBondContact O-NH2 3.36Å; H528-D597 IonicContact CD2-OD2 3.95Å; H528-D597 IonicContact CE1-OD2 2.89Å; H528-D597 IonicContact NE2-OD2 3.6Å; H528-D597 PolarHBondContact NE2-OD2 3.43Å
529	S	88.9	Confident	91.7	Very high	59 Å²	59	22.2 Å²	22.2	41%	0.413	11%	0.108	S	C	.	.	H	α-helix	trans	-67.5	-26.3	177.6	71.4	0	0	0	0	112.9	A525 Y526 L527 G531 P575	A525-S529 WeakPolarHBondContact O-CB 3.41Å; A525-S529 PolarHBondContact O-N 3.32Å; A525-S529 PolarHBondContact O-OG 3.32Å; Y526-S529 PolarHBondContact O-N 2.85Å; Y526-S529 PolarHBondContact O-OG 3.33Å; L527-S529 VanDerWaalsContact C-N 3.32Å; L527-S529 PolarHBondContact O-N 3.44Å; S529-G531 VanDerWaalsContact C-N 3.33Å; S529-P575 WeakPolarHBondContact O-CD 3.45Å
530	H	85.2	Confident	91.2	Very high	68 Å²	68	23.7 Å²	23.7	32%	0.315	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	9.4	173.4	-65.4	81.6	0	0	0	113.4	Y467 Y526 L527 H528 V532 Q564	Y467-H530 HydrophobicContact CE1-CB 3.67Å; Y467-H530 AromaticContact CE1-CG 3.88Å; Y526-H530 AromaticContact CD2-CE1 3.55Å; Y526-H530 AromaticContact CD2-ND1 3.78Å; Y526-H530 AromaticContact CE2-CE1 3.19Å; Y526-H530 WeakPolarHBondContact CE2-CE1 3.46Å; Y526-H530 AromaticContact CE2-ND1 3.64Å; Y526-H530 AromaticContact CE2-NE2 3.98Å; Y526-H530 AromaticContact CZ-CE1 3.79Å; Y526-H530 AromaticContact CZ-ND1 3.93Å; Y526-H530 PolarHBondContact O-N 2.84Å; Y526-H530 PolarHBondContact O-ND1 3.16Å; L527-H530 CarbonylContact O-C 3.57Å; L527-H530 PolarHBondContact O-N 3.46Å; L527-H530 VanDerWaalsContact O-N 3.13Å; H528-H530 VanDerWaalsContact C-N 3.26Å; H528-H530 PolarHBondContact O-N 2.9Å; H530-V532 VanDerWaalsContact C-N 3.3Å; H530-V532 PolarHBondContact O-N 3.3Å; H530-Q564 PolarHBondContact O-NE2 2.79Å
531	G	84.9	Confident	91	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	17.2	177.3	0	0	0	0	0	114.9	L527 H528 S529 Q564 L565	L527-G531 PolarHBondContact O-N 3.47Å; H528-G531 PolarHBondContact O-N 3.41Å; H528-G531 VanDerWaalsContact O-N 3.11Å; S529-G531 VanDerWaalsContact C-N 3.33Å; G531-Q564 PolarHBondContact O-NE2 3.42Å; G531-L565 WeakPolarHBondContact O-CD1 3.5Å; G531-L565 VanDerWaalsContact O-CG 3.24Å; G531-L565 WeakPolarHBondContact O-CG 3.42Å; G531-L565 PolarHBondContact O-N 2.77Å
532	V	89.7	Confident	90.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	136.7	170.1	-177.3	0	0	0	0	109.4	I463 Y467 L527 H528 H530 A562 K563	I463-V532 HydrophobicContact CD1-CG1 4.37Å; I463-V532 HydrophobicContact CG2-CG1 4.01Å; I463-V532 HydrophobicContact CG2-CG2 4.46Å; Y467-V532 HydrophobicContact CD2-CG2 3.69Å; Y467-V532 HydrophobicContact CE2-CG2 3.29Å; L527-V532 CarbonylContact C-O 3.56Å; L527-V532 VanDerWaalsContact C-O 3.29Å; L527-V532 HydrophobicContact CB-CB 4.07Å; L527-V532 HydrophobicContact CB-CG1 4.43Å; L527-V532 HydrophobicContact CD2-CB 3.99Å; L527-V532 HydrophobicContact CD2-CG1 3.98Å; L527-V532 HydrophobicContact CD2-CG2 4.31Å; L527-V532 PolarHBondContact O-N 3.5Å; H528-V532 PolarHBondContact CD2-O 3.39Å; H528-V532 PolarHBondContact N-O 3.47Å; H530-V532 VanDerWaalsContact C-N 3.3Å; H530-V532 PolarHBondContact O-N 3.3Å; V532-A562 HydrophobicContact CG1-CB 4.43Å; V532-K563 WeakPolarHBondContact CA-O 3.24Å
533	V	91.3	Very high	90.7	Very high	4 Å²	4	22 Å²	22	2%	0.024	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.1	167.8	-165.9	0	0	0	0	108.8	R535 A562 K563 D593 R594 D597	V533-R535 HydrophobicContact CB-CG 4.22Å; V533-R535 HydrophobicContact CG1-CG 3.89Å; V533-A562 CarbonylContact O-C 3.35Å; V533-A562 WeakPolarHBondContact O-CA 3.41Å; V533-K563 PolarHBondContact N-O 3.37Å; V533-K563 PolarHBondContact O-N 2.88Å; V533-D593 HydrophobicContact CB-CB 4.34Å; V533-D593 VanDerWaalsContact CG1-C 3.43Å; V533-D593 HydrophobicContact CG1-CB 3.81Å; V533-D593 VanDerWaalsContact CG1-O 3.3Å; V533-D593 WeakPolarHBondContact CG1-O 3.46Å; V533-D593 HydrophobicContact CG2-CB 4.39Å; V533-R594 HydrophobicContact CG1-CG 4.48Å; V533-R594 HydrophobicContact CG2-CG 3.77Å; V533-D597 WeakPolarHBondContact CG1-OD2 3.29Å
534	H	92	Very high	90.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.113	C	C	.	.			trans	-79.7	-41.2	-172	-172.7	-75.9	0	0	0	112.5	D536 L537 I556 I557 D558 F559 F561 A562 D597	H534-D536 PolarHBondContact CE1-O 2.92Å; H534-D536 VanDerWaalsContact CE1-O 3.28Å; H534-D536 PolarHBondContact ND1-N 3.39Å; H534-D536 PolarHBondContact ND1-O 3.44Å; H534-D536 PolarHBondContact O-N 3.38Å; H534-L537 HydrophobicContact CB-CD1 4.12Å; H534-L537 HydrophobicContact CB-CD2 4.2Å; H534-L537 HydrophobicContact CB-CG 3.74Å; H534-L537 PolarHBondContact ND1-N 2.91Å; H534-I556 WeakPolarHBondContact NE2-CG2 3.15Å; H534-I557 PolarHBondContact NE2-O 3.35Å; H534-D558 PolarHBondContact CE1-O 3.48Å; H534-D558 PolarHBondContact NE2-O 2.91Å; H534-D558 VanDerWaalsContact NE2-O 3.14Å; H534-F559 AromaticContact CD2-CE1 3.9Å; H534-F559 AromaticContact CD2-CZ 3.94Å; H534-F561 CarbonylContact O-C 3.58Å; H534-A562 WeakPolarHBondContact O-CA 3.39Å; H534-A562 PolarHBondContact O-N 3.29Å; H534-D597 PolarHBondContact N-OD2 2.87Å
535	R	88.7	Confident	90.6	Very high	93 Å²	93	24.1 Å²	24.1	35%	0.351	12%	0.123	S	C	.	.	S	Bend	trans	64.1	-11.3	175.6	-54.8	-169.9	-62.4	160	2.7	117.3	V533 F561 D593 D597	V533-R535 HydrophobicContact CB-CG 4.22Å; V533-R535 HydrophobicContact CG1-CG 3.89Å; R535-F561 HydrophobicContact CB-CB 4.39Å; R535-F561 PolarHBondContact NE-O 2.96Å; R535-F561 PolarHBondContact NH2-O 2.72Å; R535-D593 HydrophobicContact CG-CB 4.33Å; R535-D597 WeakPolarHBondContact CA-OD1 3.37Å; R535-D597 PolarHBondContact N-OD1 2.81Å
536	D	88.5	Confident	90.4	Very high	9 Å²	9	26.3 Å²	26.3	5%	0.048	13%	0.133	C	C	.	.			trans	-131.1	42.7	172.1	-170.2	36.4	0	0	0	111.7	H534 K538 N541 F561	H534-D536 PolarHBondContact CE1-O 2.92Å; H534-D536 VanDerWaalsContact CE1-O 3.28Å; H534-D536 PolarHBondContact ND1-N 3.39Å; H534-D536 PolarHBondContact ND1-O 3.44Å; H534-D536 PolarHBondContact O-N 3.38Å; D536-K538 PolarHBondContact O-N 3.47Å; D536-K538 IonicContact OD1-NZ 3.83Å; D536-K538 PolarHBondContact OD1-NZ 3.2Å; D536-K538 IonicContact OD2-NZ 2.71Å; D536-K538 PolarHBondContact OD2-NZ 3.08Å; D536-N541 PolarHBondContact O-ND2 2.95Å; D536-N541 PolarHBondContact OD2-ND2 2.73Å; D536-F561 HydrophobicContact CB-CB 3.98Å; D536-F561 HydrophobicContact CB-CD2 3.62Å; D536-F561 HydrophobicContact CB-CG 4.13Å
537	L	88	Confident	90.1	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.031	15%	0.148	C	C	.	.			trans	-72.7	94.8	173.4	-78.2	171.4	0	0	0	108.9	V524 H534 I556 D597 S600 L601 Y704	V524-L537 HydrophobicContact CG1-CD1 4.26Å; V524-L537 HydrophobicContact CG2-CD1 3.52Å; V524-L537 HydrophobicContact CG2-CD2 4.4Å; H534-L537 HydrophobicContact CB-CD1 4.12Å; H534-L537 HydrophobicContact CB-CD2 4.2Å; H534-L537 HydrophobicContact CB-CG 3.74Å; H534-L537 PolarHBondContact ND1-N 2.91Å; L537-I556 HydrophobicContact CD2-CD1 4.12Å; L537-I556 HydrophobicContact CD2-CG2 3.79Å; L537-D597 HydrophobicContact CD1-CB 3.71Å; L537-S600 WeakPolarHBondContact O-CB 3.38Å; L537-S600 PolarHBondContact O-OG 2.86Å; L537-L601 HydrophobicContact CD1-CG 4.48Å; L537-Y704 PolarHBondContact O-OH 2.98Å
538	K	85.1	Confident	90	Very high	51 Å²	51	30.7 Å²	30.7	22%	0.222	17%	0.171	C	C	.	.			trans	-117.1	157.3	172.2	56.6	-179.4	179.6	-115.9	0	109.9	D536 S540 N541 Y704	D536-K538 PolarHBondContact O-N 3.47Å; D536-K538 IonicContact OD1-NZ 3.83Å; D536-K538 PolarHBondContact OD1-NZ 3.2Å; D536-K538 IonicContact OD2-NZ 2.71Å; D536-K538 PolarHBondContact OD2-NZ 3.08Å; K538-S540 VanDerWaalsContact CD-OG 3.31Å; K538-S540 WeakPolarHBondContact CD-OG 3.43Å; K538-S540 WeakPolarHBondContact CE-OG 3.41Å; K538-S540 WeakPolarHBondContact CG-OG 3.39Å; K538-S540 PolarHBondContact O-N 3.04Å; K538-S540 VanDerWaalsContact O-N 3.12Å; K538-N541 WeakPolarHBondContact CE-OD1 3.42Å; K538-N541 HydrophobicContact CG-CB 4.08Å; K538-N541 WeakPolarHBondContact O-CA 3.31Å; K538-N541 WeakPolarHBondContact O-CB 3.23Å; K538-N541 PolarHBondContact O-N 3.26Å; K538-Y704 HydrophobicContact CB-CD1 4.18Å; K538-Y704 HydrophobicContact CB-CD2 4.04Å; K538-Y704 HydrophobicContact CB-CE1 3.89Å; K538-Y704 HydrophobicContact CB-CE2 3.78Å; K538-Y704 HydrophobicContact CB-CG 4.27Å
539	P	84.3	Confident	89.6	Confident	3 Å²	3	32 Å²	32	2%	0.019	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-53.3	-33.7	179.6	-29.2	35.3	0	0	0	115	L499 N541 V542 L604 V700	L499-P539 HydrophobicContact CD1-CB 3.34Å; L499-P539 HydrophobicContact CD1-CG 3.76Å; L499-P539 HydrophobicContact CG-CB 3.83Å; P539-N541 PolarHBondContact O-N 2.96Å; P539-V542 PolarHBondContact O-N 2.72Å; P539-L604 HydrophobicContact CB-CD1 3.82Å; P539-L604 HydrophobicContact CG-CB 4.39Å; P539-L604 HydrophobicContact CG-CD1 3.79Å; P539-V700 HydrophobicContact CB-CG1 4.5Å; P539-V700 HydrophobicContact CG-CG1 3.76Å; P539-V700 HydrophobicContact CG-CG2 4.34Å
540	S	86	Confident	89.8	Confident	44 Å²	44	30.7 Å²	30.7	31%	0.308	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-70	-12.2	176.3	68.3	0	0	0	0	113.9	K538 L543	K538-S540 VanDerWaalsContact CD-OG 3.31Å; K538-S540 WeakPolarHBondContact CD-OG 3.43Å; K538-S540 WeakPolarHBondContact CE-OG 3.41Å; K538-S540 WeakPolarHBondContact CG-OG 3.39Å; K538-S540 PolarHBondContact O-N 3.04Å; K538-S540 VanDerWaalsContact O-N 3.12Å; S540-L543 VanDerWaalsContact O-CD1 3.24Å; S540-L543 WeakPolarHBondContact O-CD1 3.4Å
541	N	92.1	Very high	90.1	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.043	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-97.6	12.5	176.4	-71.2	-2.3	0	0	0	111.9	D536 K538 P539 I557	D536-N541 PolarHBondContact O-ND2 2.95Å; D536-N541 PolarHBondContact OD2-ND2 2.73Å; K538-N541 WeakPolarHBondContact CE-OD1 3.42Å; K538-N541 HydrophobicContact CG-CB 4.08Å; K538-N541 WeakPolarHBondContact O-CA 3.31Å; K538-N541 WeakPolarHBondContact O-CB 3.23Å; K538-N541 PolarHBondContact O-N 3.26Å; P539-N541 PolarHBondContact O-N 2.96Å; N541-I557 HydrophobicContact CB-CG1 4.13Å; N541-I557 WeakPolarHBondContact O-CG1 3.28Å; N541-I557 PolarHBondContact O-N 2.86Å
542	V	94.2	Very high	90.5	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	108.3	175.6	-175.5	0	0	0	0	109.2	L498 I520 P539 L554	L498-V542 HydrophobicContact CB-CB 4.37Å; L498-V542 HydrophobicContact CB-CG1 4.12Å; L498-V542 WeakPolarHBondContact CB-O 3.23Å; L498-V542 HydrophobicContact CD2-CB 4.48Å; L498-V542 HydrophobicContact CD2-CG1 3.89Å; L498-V542 PolarHBondContact N-O 3.11Å; I520-V542 HydrophobicContact CD1-CG1 3.73Å; I520-V542 HydrophobicContact CD1-CG2 4.47Å; I520-V542 HydrophobicContact CG1-CG1 4.09Å; P539-V542 PolarHBondContact O-N 2.72Å; V542-L554 HydrophobicContact CG1-CD2 4.01Å
543	L	95.3	Very high	90.8	Very high	28 Å²	28	35.2 Å²	35.2	15%	0.147	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	152.8	-174.5	-75.7	66.5	0	0	0	111.2	C493 G496 E497 S540 L554 R555 I557	C493-L543 HydrophobicContact CB-CB 3.76Å; C493-L543 HydrophobicContact CB-CD2 3.82Å; C493-L543 HydrophobicContact CB-CG 4.47Å; G496-L543 CarbonylContact O-C 3.4Å; G496-L543 VanDerWaalsContact O-CA 3.23Å; G496-L543 WeakPolarHBondContact O-CA 3.49Å; G496-L543 WeakPolarHBondContact O-CB 3.32Å; E497-L543 HydrophobicContact CG-CD1 4.36Å; E497-L543 HydrophobicContact CG-CG 4.41Å; S540-L543 VanDerWaalsContact O-CD1 3.24Å; S540-L543 WeakPolarHBondContact O-CD1 3.4Å; L543-L554 CarbonylContact O-C 3.57Å; L543-L554 WeakPolarHBondContact O-CA 3.45Å; L543-R555 PolarHBondContact N-O 3.12Å; L543-R555 PolarHBondContact O-N 3.14Å; L543-I557 HydrophobicContact CD1-CD1 3.41Å; L543-I557 VanDerWaalsContact CD1-CD1 3.41Å; L543-I557 HydrophobicContact CD1-CG1 3.79Å; L543-I557 HydrophobicContact CD1-CG2 4.26Å; L543-I557 HydrophobicContact CD2-CD1 4.07Å; L543-I557 HydrophobicContact CG-CD1 4.37Å
544	Y	95.9	Very high	91.1	Very high	6 Å²	6	35.1 Å²	35.1	2%	0.024	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	133.4	166.2	-73.7	-79.5	0	0	0	110.6	C493 G495 G496 L498 R501 D546 A550 S553 L554	C493-Y544 CarbonylContact C-O 3.44Å; C493-Y544 WeakPolarHBondContact CB-O 3.46Å; G495-Y544 VanDerWaalsContact CA-O 3.27Å; G495-Y544 WeakPolarHBondContact CA-O 3.48Å; G495-Y544 PolarHBondContact N-O 3.12Å; G496-Y544 PolarHBondContact O-N 3.38Å; L498-Y544 HydrophobicContact CD1-CE2 3.64Å; R501-Y544 HydrophobicContact CB-CD2 4.23Å; R501-Y544 HydrophobicContact CB-CE2 3.97Å; R501-Y544 HydrophobicContact CG-CD2 3.88Å; R501-Y544 HydrophobicContact CG-CE2 4.15Å; Y544-D546 VanDerWaalsContact C-N 3.26Å; Y544-D546 WeakPolarHBondContact CB-O 3.44Å; Y544-D546 PolarHBondContact O-N 3.21Å; Y544-A550 VanDerWaalsContact CE1-O 3.3Å; Y544-A550 WeakPolarHBondContact CE1-O 3.38Å; Y544-S553 WeakPolarHBondContact CD1-OG 3.3Å; Y544-L554 HydrophobicContact CD1-CD2 3.58Å; Y544-L554 HydrophobicContact CD1-CG 3.89Å; Y544-L554 HydrophobicContact CD2-CD2 3.92Å; Y544-L554 HydrophobicContact CE1-CD1 4.37Å; Y544-L554 HydrophobicContact CE1-CD2 3.48Å; Y544-L554 VanDerWaalsContact CE1-CD2 3.48Å; Y544-L554 HydrophobicContact CE1-CG 3.62Å; Y544-L554 HydrophobicContact CE2-CD2 3.81Å; Y544-L554 HydrophobicContact CG-CD2 3.84Å
545	L	94.2	Very high	91.3	Very high	40 Å²	40	36.7 Å²	36.7	21%	0.209	20%	0.201	C	C	.	.	S	Bend	trans	-61.8	-38.4	174.9	-179.5	64.1	0	0	0	111.2	D491 K494 S553 R555	D491-L545 HydrophobicContact CB-CD1 3.94Å; K494-L545 PolarHBondContact N-O 3.42Å; L545-S553 VanDerWaalsContact CB-O 3.31Å; L545-S553 WeakPolarHBondContact CB-O 3.16Å; L545-S553 PolarHBondContact N-O 3.46Å; L545-R555 HydrophobicContact CB-CG 4.14Å
546	D	93	Very high	91.7	Very high	63 Å²	63	32.4 Å²	32.4	34%	0.337	19%	0.185	S	C	.	.	S	Bend	trans	-138.2	175.6	-174.8	61.1	47.7	0	0	0	112.2	G495 Y544 S548 S553	G495-D546 VanDerWaalsContact CA-O 3.25Å; G495-D546 WeakPolarHBondContact CA-O 3.41Å; Y544-D546 VanDerWaalsContact C-N 3.26Å; Y544-D546 WeakPolarHBondContact CB-O 3.44Å; Y544-D546 PolarHBondContact O-N 3.21Å; D546-S548 VanDerWaalsContact C-N 3.26Å; D546-S548 PolarHBondContact O-N 3.3Å; D546-S548 WeakPolarHBondContact OD1-CB 3.43Å; D546-S548 PolarHBondContact OD1-N 2.97Å; D546-S548 PolarHBondContact OD1-OG 3.44Å; D546-S553 PolarHBondContact OD1-OG 2.81Å
547	S	89.4	Confident	91.9	Very high	77 Å²	77	33.9 Å²	33.9	54%	0.538	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	6.6	-176.5	-58.4	0	0	0	0	114.5	R501 N549	R501-S547 PolarHBondContact NH2-O 3.24Å; S547-N549 PolarHBondContact O-N 3.45Å
548	S	90.6	Very high	92	Very high	69 Å²	69	35.4 Å²	35.4	48%	0.483	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-22.9	-176	67.2	0	0	0	0	113.4	D546 A550	D546-S548 VanDerWaalsContact C-N 3.26Å; D546-S548 PolarHBondContact O-N 3.3Å; D546-S548 WeakPolarHBondContact OD1-CB 3.43Å; D546-S548 PolarHBondContact OD1-N 2.97Å; D546-S548 PolarHBondContact OD1-OG 3.44Å; S548-A550 PolarHBondContact O-N 3.36Å; S548-A550 WeakPolarHBondContact OG-CB 3.48Å; S548-A550 PolarHBondContact OG-N 3Å; S548-A550 VanDerWaalsContact OG-N 3.13Å
549	N	85.4	Confident	92.4	Very high	41 Å²	41	33.1 Å²	33.1	22%	0.219	19%	0.191	C	C	.	.			trans	60.6	12.5	-167.9	-46.9	-64	0	0	0	114.1	R501 S547	R501-N549 VanDerWaalsContact CZ-OD1 3.27Å; R501-N549 PolarHBondContact NE-OD1 2.8Å; R501-N549 PolarHBondContact NH2-ND2 2.89Å; R501-N549 PolarHBondContact NH2-OD1 3.02Å; S547-N549 PolarHBondContact O-N 3.45Å
550	A	91.8	Very high	92.5	Very high	32 Å²	32	33.3 Å²	33.3	26%	0.264	19%	0.194	S	C	.	.			trans	-68	130.2	176.4	0	0	0	0	0	109.8	Y544 S548 E552 S553	Y544-A550 VanDerWaalsContact CE1-O 3.3Å; Y544-A550 WeakPolarHBondContact CE1-O 3.38Å; S548-A550 PolarHBondContact O-N 3.36Å; S548-A550 WeakPolarHBondContact OG-CB 3.48Å; S548-A550 PolarHBondContact OG-N 3Å; S548-A550 VanDerWaalsContact OG-N 3.13Å; A550-E552 PolarHBondContact O-N 3.21Å; A550-E552 VanDerWaalsContact O-N 3.09Å; A550-S553 PolarHBondContact O-N 3.28Å; A550-S553 PolarHBondContact O-OG 3.4Å; A550-S553 VanDerWaalsContact O-OG 3.08Å
551	P	92.2	Very high	92.6	Very high	28 Å²	28	35.3 Å²	35.3	18%	0.182	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-49.8	-35.7	177.1	-29.3	36.3	0	0	0	113.6	V519 S553 L554	V519-P551 HydrophobicContact CG2-CB 3.73Å; P551-S553 PolarHBondContact O-N 2.84Å; P551-L554 WeakPolarHBondContact O-CB 3.41Å; P551-L554 WeakPolarHBondContact O-CD1 3.27Å; P551-L554 VanDerWaalsContact O-CG 3.28Å; P551-L554 WeakPolarHBondContact O-CG 3.47Å; P551-L554 PolarHBondContact O-N 3.23Å
552	E	93.9	Very high	92.5	Very high	128 Å²	128	35.1 Å²	35.1	60%	0.598	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-66.1	-21.4	-179.4	-58.7	75.1	-164.8	0	0	112.8	N472 A550 L554 R555	N472-E552 PolarHBondContact ND2-O 2.85Å; A550-E552 PolarHBondContact O-N 3.21Å; A550-E552 VanDerWaalsContact O-N 3.09Å; E552-L554 VanDerWaalsContact C-N 3.3Å; E552-R555 PolarHBondContact O-NH1 3.03Å
553	S	95.3	Very high	92.1	Very high	7 Å²	7	39.2 Å²	39.2	5%	0.049	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-84.5	-1.9	175.1	82.1	0	0	0	0	113	Y544 L545 D546 A550 P551 R555	Y544-S553 WeakPolarHBondContact CD1-OG 3.3Å; L545-S553 VanDerWaalsContact CB-O 3.31Å; L545-S553 WeakPolarHBondContact CB-O 3.16Å; L545-S553 PolarHBondContact N-O 3.46Å; D546-S553 PolarHBondContact OD1-OG 2.81Å; A550-S553 PolarHBondContact O-N 3.28Å; A550-S553 PolarHBondContact O-OG 3.4Å; A550-S553 VanDerWaalsContact O-OG 3.08Å; P551-S553 PolarHBondContact O-N 2.84Å; S553-R555 PolarHBondContact O-NH1 3.4Å
554	L	96.7	Very high	91.4	Very high	2 Å²	2	38 Å²	38	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	141.7	173	-69.7	168.8	0	0	0	112.2	N472 L498 A516 V519 I520 V542 L543 Y544 P551 E552	N472-L554 WeakPolarHBondContact CA-O 3.28Å; N472-L554 WeakPolarHBondContact CB-O 3.28Å; N472-L554 PolarHBondContact ND2-O 2.68Å; L498-L554 HydrophobicContact CB-CD2 4.34Å; L498-L554 HydrophobicContact CD1-CD2 4.08Å; A516-L554 HydrophobicContact CB-CD1 4.04Å; V519-L554 HydrophobicContact CG1-CB 4.41Å; I520-L554 HydrophobicContact CD1-CD1 4.43Å; I520-L554 HydrophobicContact CG1-CD1 4.25Å; V542-L554 HydrophobicContact CG1-CD2 4.01Å; L543-L554 CarbonylContact O-C 3.57Å; L543-L554 WeakPolarHBondContact O-CA 3.45Å; Y544-L554 HydrophobicContact CD1-CD2 3.58Å; Y544-L554 HydrophobicContact CD1-CG 3.89Å; Y544-L554 HydrophobicContact CD2-CD2 3.92Å; Y544-L554 HydrophobicContact CE1-CD1 4.37Å; Y544-L554 HydrophobicContact CE1-CD2 3.48Å; Y544-L554 VanDerWaalsContact CE1-CD2 3.48Å; Y544-L554 HydrophobicContact CE1-CG 3.62Å; Y544-L554 HydrophobicContact CE2-CD2 3.81Å; Y544-L554 HydrophobicContact CG-CD2 3.84Å; P551-L554 WeakPolarHBondContact O-CB 3.41Å; P551-L554 WeakPolarHBondContact O-CD1 3.27Å; P551-L554 VanDerWaalsContact O-CG 3.28Å; P551-L554 WeakPolarHBondContact O-CG 3.47Å; P551-L554 PolarHBondContact O-N 3.23Å; E552-L554 VanDerWaalsContact C-N 3.3Å
555	R	96.7	Very high	90.2	Very high	33 Å²	33	38.7 Å²	38.7	13%	0.125	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	126.2	176.9	-58.1	-65.8	178.1	-93.2	9.7	108.8	P471 N472 L543 L545 E552 S553 I557	P471-R555 VanDerWaalsContact O-CD 3.23Å; P471-R555 WeakPolarHBondContact O-CD 3.44Å; P471-R555 PolarHBondContact O-NE 3.07Å; P471-R555 PolarHBondContact O-NH1 2.87Å; P471-R555 PolarHBondContact O-NH2 2.97Å; N472-R555 CarbonylContact O-C 3.57Å; N472-R555 WeakPolarHBondContact O-CA 2.93Å; L543-R555 PolarHBondContact N-O 3.12Å; L543-R555 PolarHBondContact O-N 3.14Å; L545-R555 HydrophobicContact CB-CG 4.14Å; E552-R555 PolarHBondContact O-NH1 3.03Å; S553-R555 PolarHBondContact O-NH1 3.4Å; R555-I557 HydrophobicContact CB-CG2 4.45Å
556	I	96.6	Very high	88.8	Confident	3 Å²	3	40.1 Å²	40.1	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	124.3	163.3	-59.2	-179	0	0	0	107.2	N472 A474 I520 T523 V524 H534 L537 F559	N472-I556 PolarHBondContact O-N 3.23Å; A474-I556 PolarHBondContact N-O 3.27Å; I520-I556 HydrophobicContact CG2-CD1 3.96Å; I520-I556 HydrophobicContact CG2-CG1 4.36Å; T523-I556 HydrophobicContact CG2-CD1 3.69Å; T523-I556 HydrophobicContact CG2-CG1 4.37Å; V524-I556 HydrophobicContact CG2-CD1 3.91Å; H534-I556 WeakPolarHBondContact NE2-CG2 3.15Å; L537-I556 HydrophobicContact CD2-CD1 4.12Å; L537-I556 HydrophobicContact CD2-CG2 3.79Å; I556-F559 HydrophobicContact CG2-CE2 4.14Å; I556-F559 HydrophobicContact CG2-CZ 4.28Å
557	I	93	Very high	86.7	Confident	40 Å²	40	38.4 Å²	38.4	21%	0.205	21%	0.209	C	C	.	.			trans	-111.7	164.9	178.6	74.8	162.1	0	0	0	110	A474 H534 N541 L543 R555	A474-I557 HydrophobicContact CB-CB 4.46Å; A474-I557 HydrophobicContact CB-CG2 4.1Å; H534-I557 PolarHBondContact NE2-O 3.35Å; N541-I557 HydrophobicContact CB-CG1 4.13Å; N541-I557 WeakPolarHBondContact O-CG1 3.28Å; N541-I557 PolarHBondContact O-N 2.86Å; L543-I557 HydrophobicContact CD1-CD1 3.41Å; L543-I557 VanDerWaalsContact CD1-CD1 3.41Å; L543-I557 HydrophobicContact CD1-CG1 3.79Å; L543-I557 HydrophobicContact CD1-CG2 4.26Å; L543-I557 HydrophobicContact CD2-CD1 4.07Å; L543-I557 HydrophobicContact CG-CD1 4.37Å; R555-I557 HydrophobicContact CB-CG2 4.45Å
558	D	90.9	Very high	84.5	Confident	39 Å²	39	42.8 Å²	42.8	21%	0.209	22%	0.221	C	C	.	.			trans	65.1	82.3	172.1	-163.6	-0.8	0	0	0	116.2	K448 H534 G560	K448-D558 IonicContact NZ-OD1 3.7Å; K448-D558 PolarHBondContact NZ-OD1 2.87Å; K448-D558 IonicContact NZ-OD2 3.28Å; H534-D558 PolarHBondContact CE1-O 3.48Å; H534-D558 PolarHBondContact NE2-O 2.91Å; H534-D558 VanDerWaalsContact NE2-O 3.14Å; D558-G560 PolarHBondContact O-N 2.98Å; D558-G560 WeakPolarHBondContact OD1-CA 3.39Å; D558-G560 PolarHBondContact OD1-N 3.06Å
559	F	92.3	Very high	82.2	Confident	2 Å²	2	44.6 Å²	44.6	1%	0.009	23%	0.226	C	C	.	.			trans	-87.6	23.3	173	-74.5	-106.2	0	0	0	112.1	E460 I463 L464 I473 L527 H534 I556 F561 A562	E460-F559 HydrophobicContact CG-CB 4.17Å; I463-F559 HydrophobicContact CG2-CD1 3.62Å; I463-F559 HydrophobicContact CG2-CE1 4.21Å; I463-F559 HydrophobicContact CG2-CG 4.39Å; L464-F559 HydrophobicContact CD2-CB 4.23Å; L464-F559 HydrophobicContact CD2-CD2 3.72Å; L464-F559 HydrophobicContact CD2-CE2 4.34Å; L464-F559 HydrophobicContact CD2-CG 4.01Å; L464-F559 HydrophobicContact CG-CB 4.26Å; I473-F559 HydrophobicContact CD1-CZ 3.92Å; I473-F559 HydrophobicContact CG1-CZ 4.08Å; I473-F559 HydrophobicContact CG2-CE2 3.62Å; I473-F559 HydrophobicContact CG2-CZ 3.75Å; L527-F559 HydrophobicContact CD1-CE1 3.73Å; L527-F559 HydrophobicContact CD1-CZ 3.92Å; L527-F559 HydrophobicContact CD2-CE1 4Å; H534-F559 AromaticContact CD2-CE1 3.9Å; H534-F559 AromaticContact CD2-CZ 3.94Å; I556-F559 HydrophobicContact CG2-CE2 4.14Å; I556-F559 HydrophobicContact CG2-CZ 4.28Å; F559-F561 PolarHBondContact O-N 3.31Å; F559-A562 HydrophobicContact CB-CB 3.83Å; F559-A562 HydrophobicContact CD1-CB 3.65Å; F559-A562 HydrophobicContact CG-CB 4.18Å; F559-A562 WeakPolarHBondContact O-CB 3.31Å; F559-A562 PolarHBondContact O-N 2.8Å
560	G	87.8	Confident	80.4	Confident	8 Å²	8	43.8 Å²	43.8	8%	0.082	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-25.1	-174.1	0	0	0	0	0	114.8	R455 E460 D558	R455-G560 VanDerWaalsContact CZ-CA 3.5Å; R455-G560 PolarHBondContact NE-O 3.25Å; R455-G560 PolarHBondContact NH2-O 2.88Å; E460-G560 VanDerWaalsContact OE2-CA 3.27Å; E460-G560 WeakPolarHBondContact OE2-CA 3.28Å; D558-G560 PolarHBondContact O-N 2.98Å; D558-G560 WeakPolarHBondContact OD1-CA 3.39Å; D558-G560 PolarHBondContact OD1-N 3.06Å
561	F	87	Confident	78	Confident	85 Å²	85	43.2 Å²	43.2	37%	0.373	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	2.6	173.6	-61.7	-82.6	0	0	0	112.1	H534 R535 D536 F559	H534-F561 CarbonylContact O-C 3.58Å; R535-F561 HydrophobicContact CB-CB 4.39Å; R535-F561 PolarHBondContact NE-O 2.96Å; R535-F561 PolarHBondContact NH2-O 2.72Å; D536-F561 HydrophobicContact CB-CB 3.98Å; D536-F561 HydrophobicContact CB-CD2 3.62Å; D536-F561 HydrophobicContact CB-CG 4.13Å; F559-F561 PolarHBondContact O-N 3.31Å
562	A	90.1	Very high	75.9	Confident	5 Å²	5	42.8 Å²	42.8	4%	0.041	22%	0.215	C	C	.	.			trans	-63.5	151.3	179.6	0	0	0	0	0	110.7	I463 V532 V533 H534 F559	I463-A562 HydrophobicContact CD1-CB 3.65Å; I463-A562 HydrophobicContact CG2-CB 4.48Å; V532-A562 HydrophobicContact CG1-CB 4.43Å; V533-A562 CarbonylContact O-C 3.35Å; V533-A562 WeakPolarHBondContact O-CA 3.41Å; H534-A562 WeakPolarHBondContact O-CA 3.39Å; H534-A562 PolarHBondContact O-N 3.29Å; F559-A562 HydrophobicContact CB-CB 3.83Å; F559-A562 HydrophobicContact CD1-CB 3.65Å; F559-A562 HydrophobicContact CG-CB 4.18Å; F559-A562 WeakPolarHBondContact O-CB 3.31Å; F559-A562 PolarHBondContact O-N 2.8Å
563	K	85.8	Confident	74.1	Confident	87 Å²	87	38.2 Å²	38.2	38%	0.378	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130.1	178.8	-169.8	171.1	-177	-178.9	0	110	V532 V533	V532-K563 WeakPolarHBondContact CA-O 3.24Å; V533-K563 PolarHBondContact N-O 3.37Å; V533-K563 PolarHBondContact O-N 2.88Å
564	Q	81.5	Confident	71.9	Confident	4 Å²	4	41.4 Å²	41.4	2%	0.019	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134	171.1	-179.1	65.7	61	0	0	109.1	E459 I463 Y467 H530 G531 L572	E459-Q564 WeakPolarHBondContact OE1-CB 3.39Å; E459-Q564 PolarHBondContact OE1-N 2.74Å; I463-Q564 HydrophobicContact CD1-CB 4.31Å; I463-Q564 HydrophobicContact CG1-CB 4.14Å; Y467-Q564 VanDerWaalsContact CE2-OE1 3.25Å; Y467-Q564 PolarHBondContact OH-OE1 2.91Å; Y467-Q564 VanDerWaalsContact OH-OE1 3.07Å; H530-Q564 PolarHBondContact O-NE2 2.79Å; G531-Q564 PolarHBondContact O-NE2 3.42Å; Q564-L572 HydrophobicContact CG-CD2 3.19Å
565	L	70.1	Confident	69.5	Low	20 Å²	20	44.9 Å²	44.9	11%	0.105	24%	0.236	C	C	.	.			trans	-74	136.1	176.5	-67.3	157.8	0	0	0	111.2	G531 L572 M573 Q590	G531-L565 WeakPolarHBondContact O-CD1 3.5Å; G531-L565 VanDerWaalsContact O-CG 3.24Å; G531-L565 WeakPolarHBondContact O-CG 3.42Å; G531-L565 PolarHBondContact O-N 2.77Å; L565-L572 WeakPolarHBondContact O-CA 3.48Å; L565-M573 HydrophobicContact CB-CB 3.99Å; L565-M573 PolarHBondContact O-N 3.43Å; L565-M573 VanDerWaalsContact O-N 3.1Å; L565-Q590 HydrophobicContact CD1-CG 3.61Å; L565-Q590 HydrophobicContact CD2-CB 3.93Å; L565-Q590 HydrophobicContact CD2-CG 3.78Å; L565-Q590 HydrophobicContact CG-CG 4.27Å
566	R	64.7	Low	67.2	Low	69 Å²	69	48.5 Å²	48.5	26%	0.26	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-131.4	144.3	174.1	-62.5	176.8	-173.1	-93.2	0.9	109.3	D160 D462 G570 L571 L572	D160-R566 IonicContact OD1-NH1 2.72Å; D160-R566 PolarHBondContact OD1-NH1 2.75Å; D462-R566 IonicContact OD2-NH2 2.69Å; D462-R566 PolarHBondContact OD2-NH2 2.84Å; R566-G570 WeakPolarHBondContact CB-O 3.29Å; R566-G570 WeakPolarHBondContact CD-O 3.46Å; R566-G570 WeakPolarHBondContact CG-O 3.43Å; R566-G570 PolarHBondContact NH1-O 2.89Å; R566-L571 CarbonylContact C-O 3.54Å; R566-L571 WeakPolarHBondContact CA-O 3.14Å; R566-L572 HydrophobicContact CG-CD2 4.23Å
567	A	49.5	Very low	64.5	Low	28 Å²	28	53 Å²	53	23%	0.231	28%	0.283	C	S	.	.			trans	-63.4	168.7	164.8	0	0	0	0	0	109.9	N569 G570 L571 M573	A567-N569 VanDerWaalsContact CB-OD1 3.23Å; A567-N569 WeakPolarHBondContact CB-OD1 3.46Å; A567-N569 PolarHBondContact O-N 2.85Å; A567-N569 VanDerWaalsContact O-N 3.07Å; A567-G570 PolarHBondContact O-N 2.76Å; A567-L571 HydrophobicContact CB-CB 4.15Å; A567-L571 PolarHBondContact N-O 3.34Å; A567-M573 HydrophobicContact CB-CG 4.23Å; A567-M573 HydrophobicContact CB-SD 3.69Å
568	E	43	Very low	62.2	Low	168 Å²	168	52.5 Å²	52.5	79%	0.785	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-25.7	178.6	-68	-172.1	163.4	0	0	113.2
569	N	42	Very low	60	Low	108 Å²	108	54.4 Å²	54.4	58%	0.578	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	2.3	176	66.3	-3.3	0	0	0	114.5	A567 L571	A567-N569 VanDerWaalsContact CB-OD1 3.23Å; A567-N569 WeakPolarHBondContact CB-OD1 3.46Å; A567-N569 PolarHBondContact O-N 2.85Å; A567-N569 VanDerWaalsContact O-N 3.07Å; N569-L571 WeakPolarHBondContact ND2-CD1 3.24Å; N569-L571 WeakPolarHBondContact OD1-CB 3.33Å; N569-L571 WeakPolarHBondContact OD1-CD1 3.42Å; N569-L571 WeakPolarHBondContact OD1-CG 3.46Å; N569-L571 PolarHBondContact OD1-N 3.24Å
570	G	47.9	Very low	57.4	Low	23 Å²	23	61.9 Å²	61.9	24%	0.237	34%	0.338	C	S	.	.	S	Bend	trans	94.9	-10.4	180	0	0	0	0	0	115.6	R566 A567	R566-G570 WeakPolarHBondContact CB-O 3.29Å; R566-G570 WeakPolarHBondContact CD-O 3.46Å; R566-G570 WeakPolarHBondContact CG-O 3.43Å; R566-G570 PolarHBondContact NH1-O 2.89Å; A567-G570 PolarHBondContact O-N 2.76Å
571	L	40.8	Very low	55.5	Low	21 Å²	21	69.2 Å²	69.2	11%	0.11	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-60.7	134.4	179.5	-69.6	170.6	0	0	0	112	K159 D160 M162 R566 A567 N569 M573	K159-L571 VanDerWaalsContact O-CD2 3.3Å; K159-L571 WeakPolarHBondContact O-CD2 3.41Å; D160-L571 VanDerWaalsContact C-CD2 3.49Å; D160-L571 VanDerWaalsContact N-CD2 3.28Å; M162-L571 HydrophobicContact CG-CD1 4.36Å; R566-L571 CarbonylContact C-O 3.54Å; R566-L571 WeakPolarHBondContact CA-O 3.14Å; A567-L571 HydrophobicContact CB-CB 4.15Å; A567-L571 PolarHBondContact N-O 3.34Å; N569-L571 WeakPolarHBondContact ND2-CD1 3.24Å; N569-L571 WeakPolarHBondContact OD1-CB 3.33Å; N569-L571 WeakPolarHBondContact OD1-CD1 3.42Å; N569-L571 WeakPolarHBondContact OD1-CG 3.46Å; N569-L571 PolarHBondContact OD1-N 3.24Å; L571-M573 PolarHBondContact O-N 2.87Å
572	L	49.1	Very low	53.6	Low	19 Å²	19	66.2 Å²	66.2	10%	0.099	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-62.3	134.7	173.3	-63.5	167.8	0	0	0	111.2	D160 I161 R466 Q564 L565 R566	D160-L572 VanDerWaalsContact O-CB 3.25Å; D160-L572 WeakPolarHBondContact O-CB 3.4Å; D160-L572 VanDerWaalsContact O-CG 3.29Å; D160-L572 WeakPolarHBondContact O-CG 3.31Å; D160-L572 PolarHBondContact O-N 3.31Å; I161-L572 HydrophobicContact CG1-CD1 4.23Å; R466-L572 VanDerWaalsContact CZ-CD1 3.5Å; Q564-L572 HydrophobicContact CG-CD2 3.19Å; L565-L572 WeakPolarHBondContact O-CA 3.48Å; R566-L572 HydrophobicContact CG-CD2 4.23Å
573	M	54.4	Low	51.5	Low	31 Å²	31	66.6 Å²	66.6	15%	0.153	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-101.2	118.1	-178.9	-66.9	-64.7	-59	0	0	110.7	L565 A567 L571 V582	L565-M573 HydrophobicContact CB-CB 3.99Å; L565-M573 PolarHBondContact O-N 3.43Å; L565-M573 VanDerWaalsContact O-N 3.1Å; A567-M573 HydrophobicContact CB-CG 4.23Å; A567-M573 HydrophobicContact CB-SD 3.69Å; L571-M573 PolarHBondContact O-N 2.87Å; M573-V582 HydrophobicContact CE-CG2 3.29Å; M573-V582 HydrophobicContact SD-CG2 4.49Å
574	T	51.1	Low	49.7	Very low	75 Å²	75	66.4 Å²	66.4	46%	0.46	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-98.8	134.4	165.7	-45.6	0	0	0	0	108.5	C576 Y577	T574-C576 PolarHBondContact O-N 2.84Å; T574-Y577 PolarHBondContact O-N 2.86Å
575	P	45.4	Very low	48.4	Very low	74 Å²	74	71.8 Å²	71.8	48%	0.481	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-13.5	-174.9	-23.3	33.9	0	0	0	115.3	S529 Y577	S529-P575 WeakPolarHBondContact O-CD 3.45Å; P575-Y577 VanDerWaalsContact C-N 3.28Å; P575-Y577 PolarHBondContact O-N 2.68Å
576	C	49.4	Very low	47.7	Very low	110 Å²	110	73.2 Å²	73.2	74%	0.743	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-10.7	-175	-46	0	0	0	0	113.3	T574	T574-C576 PolarHBondContact O-N 2.84Å
577	Y	39	Very low	47.4	Very low	97 Å²	97	72.9 Å²	72.9	38%	0.38	41%	0.405	S	S	.	.	S	Bend	trans	-132.2	125.6	179.2	-110.4	-99.4	0	0	0	112.9	M162 T574 P575	M162-Y577 HydrophobicContact CE-CD1 4.35Å; T574-Y577 PolarHBondContact O-N 2.86Å; P575-Y577 VanDerWaalsContact C-N 3.28Å; P575-Y577 PolarHBondContact O-N 2.68Å
578	T	45.2	Very low	47.9	Very low	30 Å²	30	78.2 Å²	78.2	18%	0.184	42%	0.423	C	S	.	.			trans	64.8	64.6	155.9	26.3	0	0	0	0	119	Q580 F581	T578-Q580 HydrophobicContact CG2-CG 3.82Å; T578-Q580 PolarHBondContact O-N 3.48Å; T578-Q580 VanDerWaalsContact O-N 3.08Å; T578-F581 HydrophobicContact CG2-CD2 3.23Å; T578-F581 HydrophobicContact CG2-CE2 3.4Å; T578-F581 HydrophobicContact CG2-CG 4.43Å; T578-F581 PolarHBondContact O-N 2.87Å
579	A	43	Very low	49.1	Very low	78 Å²	78	77.2 Å²	77.2	65%	0.645	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-55	-21.1	160.5	0	0	0	0	0	113.7
580	Q	39.2	Very low	49.9	Very low	159 Å²	159	73.1 Å²	73.1	74%	0.743	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-77.1	-13.7	-179	64.4	-170.4	11.8	0	0	115.3	T578	T578-Q580 HydrophobicContact CG2-CG 3.82Å; T578-Q580 PolarHBondContact O-N 3.48Å; T578-Q580 VanDerWaalsContact O-N 3.08Å
581	F	48.2	Very low	50.8	Low	162 Å²	162	73.6 Å²	73.6	71%	0.711	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-109.8	-0.9	178.6	-63.6	-61	0	0	0	113.5	T578	T578-F581 HydrophobicContact CG2-CD2 3.23Å; T578-F581 HydrophobicContact CG2-CE2 3.4Å; T578-F581 HydrophobicContact CG2-CG 4.43Å; T578-F581 PolarHBondContact O-N 2.87Å
582	V	46.4	Very low	52.5	Low	22 Å²	22	78.6 Å²	78.6	13%	0.133	41%	0.412	C	S	.	.	S	Bend	trans	-94	128	178.5	-171.9	0	0	0	0	109	M573 V586 L587	M573-V582 HydrophobicContact CE-CG2 3.29Å; M573-V582 HydrophobicContact SD-CG2 4.49Å; V582-V586 HydrophobicContact CG1-CB 3.82Å; V582-V586 HydrophobicContact CG1-CG1 3.86Å; V582-L587 HydrophobicContact CB-CD1 4.03Å; V582-L587 HydrophobicContact CB-CD2 3.89Å; V582-L587 HydrophobicContact CB-CG 3.75Å; V582-L587 HydrophobicContact CG1-CD1 4.39Å; V582-L587 HydrophobicContact CG1-CD2 3.72Å; V582-L587 HydrophobicContact CG1-CG 3.57Å; V582-L587 HydrophobicContact CG2-CD2 4.25Å
583	A	45.5	Very low	54	Low	14 Å²	14	78.8 Å²	78.8	12%	0.116	41%	0.414	C	S	.	.			trans	-53.8	130.9	175	0	0	0	0	0	109.9	E585 V586 L587	A583-E585 HydrophobicContact CB-CG 4.37Å; A583-E585 WeakPolarHBondContact CB-OE2 3.48Å; A583-E585 PolarHBondContact O-N 3.07Å; A583-E585 VanDerWaalsContact O-N 3.08Å; A583-V586 HydrophobicContact CB-CG2 4.18Å; A583-V586 WeakPolarHBondContact O-CB 3.25Å; A583-V586 PolarHBondContact O-N 3.28Å; A583-L587 PolarHBondContact O-N 3.4Å
584	P	48.2	Very low	55.6	Low	82 Å²	82	80.1 Å²	80.1	53%	0.532	42%	0.417	S	S	.	.	H	α-helix	trans	-58.1	-28.6	-171.8	20.2	-31.4	0	0	0	113.1	K588	P584-K588 WeakPolarHBondContact O-CB 3.24Å; P584-K588 WeakPolarHBondContact O-CG 3.25Å; P584-K588 PolarHBondContact O-N 2.78Å
585	E	54.4	Low	57.4	Low	117 Å²	117	76.9 Å²	76.9	55%	0.547	40%	0.398	S	S	.	.	H	α-helix	trans	-67.6	-33.4	173.7	64.9	-87.5	-149.6	0	0	113.5	A583 R589	A583-E585 HydrophobicContact CB-CG 4.37Å; A583-E585 WeakPolarHBondContact CB-OE2 3.48Å; A583-E585 PolarHBondContact O-N 3.07Å; A583-E585 VanDerWaalsContact O-N 3.08Å; E585-R589 VanDerWaalsContact O-CB 3.25Å; E585-R589 WeakPolarHBondContact O-CB 3.44Å; E585-R589 PolarHBondContact O-N 3.19Å
586	V	55.6	Low	59.4	Low	51 Å²	51	74.6 Å²	74.6	31%	0.309	38%	0.383	S	S	.	.	H	α-helix	trans	-70.9	-45.3	176.5	176.6	0	0	0	0	109.4	V582 A583 R589 Q590	V582-V586 HydrophobicContact CG1-CB 3.82Å; V582-V586 HydrophobicContact CG1-CG1 3.86Å; A583-V586 HydrophobicContact CB-CG2 4.18Å; A583-V586 WeakPolarHBondContact O-CB 3.25Å; A583-V586 PolarHBondContact O-N 3.28Å; V586-R589 PolarHBondContact O-N 3.32Å; V586-Q590 VanDerWaalsContact O-CB 3.25Å; V586-Q590 WeakPolarHBondContact O-CB 3.37Å; V586-Q590 PolarHBondContact O-N 3.17Å
587	L	58.2	Low	61.5	Low	62 Å²	62	69.3 Å²	69.3	33%	0.325	35%	0.348	S	S	.	.	H	α-helix	trans	-62	-43.2	174.4	-68.7	177.1	0	0	0	112.1	V582 A583 Q590 G591	V582-L587 HydrophobicContact CB-CD1 4.03Å; V582-L587 HydrophobicContact CB-CD2 3.89Å; V582-L587 HydrophobicContact CB-CG 3.75Å; V582-L587 HydrophobicContact CG1-CD1 4.39Å; V582-L587 HydrophobicContact CG1-CD2 3.72Å; V582-L587 HydrophobicContact CG1-CG 3.57Å; V582-L587 HydrophobicContact CG2-CD2 4.25Å; A583-L587 PolarHBondContact O-N 3.4Å; L587-Q590 PolarHBondContact O-N 3.15Å; L587-G591 PolarHBondContact O-N 3.27Å
588	K	59.2	Low	64.1	Low	140 Å²	140	64.8 Å²	64.8	61%	0.609	33%	0.33	S	S	*	.	H	α-helix	trans	-62.1	-47.4	176.7	-79.4	174.6	-178.3	-179	0	111.6	P584 Q590 G591 Y592	P584-K588 WeakPolarHBondContact O-CB 3.24Å; P584-K588 WeakPolarHBondContact O-CG 3.25Å; P584-K588 PolarHBondContact O-N 2.78Å; K588-Q590 VanDerWaalsContact C-N 3.32Å; K588-Q590 PolarHBondContact O-N 2.89Å; K588-G591 PolarHBondContact O-N 2.99Å; K588-Y592 WeakPolarHBondContact O-CB 2.96Å; K588-Y592 PolarHBondContact O-N 3.26Å
589	R	68.2	Low	66.3	Low	147 Å²	147	64.8 Å²	64.8	56%	0.555	33%	0.327	S	S	*	.	H	α-helix	trans	-64.2	-37.9	178.6	-171.3	173.6	-176	171.4	5.7	111.9	E585 V586 Y592 D593	E585-R589 VanDerWaalsContact O-CB 3.25Å; E585-R589 WeakPolarHBondContact O-CB 3.44Å; E585-R589 PolarHBondContact O-N 3.19Å; V586-R589 PolarHBondContact O-N 3.32Å; R589-Y592 WeakPolarHBondContact O-CB 3.44Å; R589-Y592 PolarHBondContact O-N 2.92Å; R589-D593 WeakPolarHBondContact O-CB 3.41Å; R589-D593 VanDerWaalsContact O-CG 3.25Å; R589-D593 PolarHBondContact O-N 3.41Å
590	Q	60.2	Low	68.7	Low	21 Å²	21	61.5 Å²	61.5	10%	0.098	30%	0.299	C	S	.	.	H	α-helix	trans	-67.3	-44.4	175.1	176.6	-170.9	-8.4	0	0	112.3	L565 V586 L587 K588 Y592 D593 R594	L565-Q590 HydrophobicContact CD1-CG 3.61Å; L565-Q590 HydrophobicContact CD2-CB 3.93Å; L565-Q590 HydrophobicContact CD2-CG 3.78Å; L565-Q590 HydrophobicContact CG-CG 4.27Å; V586-Q590 VanDerWaalsContact O-CB 3.25Å; V586-Q590 WeakPolarHBondContact O-CB 3.37Å; V586-Q590 PolarHBondContact O-N 3.17Å; L587-Q590 PolarHBondContact O-N 3.15Å; K588-Q590 VanDerWaalsContact C-N 3.32Å; K588-Q590 PolarHBondContact O-N 2.89Å; Q590-Y592 PolarHBondContact O-N 3.48Å; Q590-D593 PolarHBondContact O-N 2.96Å; Q590-R594 WeakPolarHBondContact O-CB 3.32Å; Q590-R594 WeakPolarHBondContact O-CG 3.37Å; Q590-R594 PolarHBondContact O-N 3.44Å
591	G	67.3	Low	71.3	Confident	33 Å²	33	54.1 Å²	54.1	34%	0.34	26%	0.264	S	S	.	.	H	α-helix	trans	-57.4	-42.6	173.7	0	0	0	0	0	110.9	L587 K588 A595	L587-G591 PolarHBondContact O-N 3.27Å; K588-G591 PolarHBondContact O-N 2.99Å; G591-A595 WeakPolarHBondContact O-CB 3.33Å; G591-A595 PolarHBondContact O-N 3.46Å
592	Y	76	Confident	73.5	Confident	127 Å²	127	46.4 Å²	46.4	50%	0.498	23%	0.231	S	C	.	.	H	α-helix	trans	-61.8	-52.5	173.4	-179.1	-90.2	0	0	0	112.5	K588 R589 Q590 R594 A595 C596 P661	K588-Y592 WeakPolarHBondContact O-CB 2.96Å; K588-Y592 PolarHBondContact O-N 3.26Å; R589-Y592 WeakPolarHBondContact O-CB 3.44Å; R589-Y592 PolarHBondContact O-N 2.92Å; Q590-Y592 PolarHBondContact O-N 3.48Å; Y592-R594 PolarHBondContact O-N 2.8Å; Y592-A595 CarbonylContact O-C 3.4Å; Y592-A595 WeakPolarHBondContact O-CA 3.45Å; Y592-A595 WeakPolarHBondContact O-CB 3.45Å; Y592-A595 PolarHBondContact O-N 3.45Å; Y592-A595 VanDerWaalsContact O-N 3.1Å; Y592-C596 WeakPolarHBondContact CE1-SG 3.44Å; Y592-C596 PolarHBondContact O-N 3.16Å; Y592-C596 PolarHBondContact O-SG 3.28Å; Y592-C596 VanDerWaalsContact O-SG 3.34Å; Y592-P661 HydrophobicContact CD2-CB 4.21Å; Y592-P661 HydrophobicContact CD2-CG 3.81Å; Y592-P661 HydrophobicContact CE2-CG 3.96Å
593	D	80.5	Confident	75.6	Confident	23 Å²	23	45.4 Å²	45.4	12%	0.123	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-41.4	-177.7	-70.2	-17.2	0	0	0	110.9	V533 R535 R589 Q590 A595 C596 D597	V533-D593 HydrophobicContact CB-CB 4.34Å; V533-D593 VanDerWaalsContact CG1-C 3.43Å; V533-D593 HydrophobicContact CG1-CB 3.81Å; V533-D593 VanDerWaalsContact CG1-O 3.3Å; V533-D593 WeakPolarHBondContact CG1-O 3.46Å; V533-D593 HydrophobicContact CG2-CB 4.39Å; R535-D593 HydrophobicContact CG-CB 4.33Å; R589-D593 WeakPolarHBondContact O-CB 3.41Å; R589-D593 VanDerWaalsContact O-CG 3.25Å; R589-D593 PolarHBondContact O-N 3.41Å; Q590-D593 PolarHBondContact O-N 2.96Å; D593-A595 VanDerWaalsContact C-N 3.32Å; D593-A595 PolarHBondContact O-N 3.26Å; D593-C596 VanDerWaalsContact O-CB 3.31Å; D593-C596 WeakPolarHBondContact O-CB 3.36Å; D593-C596 PolarHBondContact O-N 3.23Å; D593-C596 VanDerWaalsContact O-N 3.14Å; D593-D597 PolarHBondContact O-N 2.79Å; D593-D597 VanDerWaalsContact O-N 3.16Å
594	R	87.6	Confident	77.8	Confident	58 Å²	58	45 Å²	45	22%	0.219	22%	0.22	C	C	.	.	H	α-helix	trans	-62.8	-40.2	173.8	-74.4	179.4	172.4	170	-3.7	111.7	H528 V533 Q590 Y592 C596 D597 V598	H528-R594 PolarHBondContact CE1-O 3.28Å; H528-R594 PolarHBondContact O-NH2 3.36Å; V533-R594 HydrophobicContact CG1-CG 4.48Å; V533-R594 HydrophobicContact CG2-CG 3.77Å; Q590-R594 WeakPolarHBondContact O-CB 3.32Å; Q590-R594 WeakPolarHBondContact O-CG 3.37Å; Q590-R594 PolarHBondContact O-N 3.44Å; Y592-R594 PolarHBondContact O-N 2.8Å; R594-C596 VanDerWaalsContact C-N 3.27Å; R594-C596 PolarHBondContact O-N 3.38Å; R594-D597 WeakPolarHBondContact O-CB 3.24Å; R594-D597 PolarHBondContact O-N 3.44Å; R594-V598 PolarHBondContact O-N 3.44Å
595	A	87.9	Confident	80	Confident	8 Å²	8	41.1 Å²	41.1	7%	0.066	20%	0.195	C	C	.	.	H	α-helix	trans	-67.2	-29.4	175.1	0	0	0	0	0	111.7	G591 Y592 D593 V598 W599 P661 R664	G591-A595 WeakPolarHBondContact O-CB 3.33Å; G591-A595 PolarHBondContact O-N 3.46Å; Y592-A595 CarbonylContact O-C 3.4Å; Y592-A595 WeakPolarHBondContact O-CA 3.45Å; Y592-A595 WeakPolarHBondContact O-CB 3.45Å; Y592-A595 PolarHBondContact O-N 3.45Å; Y592-A595 VanDerWaalsContact O-N 3.1Å; D593-A595 VanDerWaalsContact C-N 3.32Å; D593-A595 PolarHBondContact O-N 3.26Å; A595-V598 PolarHBondContact O-N 2.96Å; A595-W599 WeakPolarHBondContact O-CB 3.31Å; A595-W599 PolarHBondContact O-N 3.14Å; A595-P661 HydrophobicContact CB-CB 3.73Å; A595-R664 WeakPolarHBondContact O-CD 3.29Å; A595-R664 PolarHBondContact O-NH1 3.47Å
596	C	88.2	Confident	81.8	Confident	25 Å²	25	35.7 Å²	35.7	17%	0.169	17%	0.17	C	C	.	.	H	α-helix	trans	-64.2	-44	171.6	-69.6	0	0	0	0	111.6	Y592 D593 R594 V598 W599 S600	Y592-C596 WeakPolarHBondContact CE1-SG 3.44Å; Y592-C596 PolarHBondContact O-N 3.16Å; Y592-C596 PolarHBondContact O-SG 3.28Å; Y592-C596 VanDerWaalsContact O-SG 3.34Å; D593-C596 VanDerWaalsContact O-CB 3.31Å; D593-C596 WeakPolarHBondContact O-CB 3.36Å; D593-C596 PolarHBondContact O-N 3.23Å; D593-C596 VanDerWaalsContact O-N 3.14Å; R594-C596 VanDerWaalsContact C-N 3.27Å; R594-C596 PolarHBondContact O-N 3.38Å; C596-V598 VanDerWaalsContact C-N 3.3Å; C596-V598 PolarHBondContact O-N 2.97Å; C596-W599 WeakPolarHBondContact O-CB 3.47Å; C596-W599 PolarHBondContact O-N 2.96Å; C596-W599 VanDerWaalsContact O-N 3.16Å; C596-S600 WeakPolarHBondContact O-CB 3.22Å; C596-S600 PolarHBondContact O-N 3.04Å
597	D	93	Very high	83.4	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58.2	-43	173.7	-78.8	-6.8	0	0	0	111.5	V524 H528 V533 H534 R535 L537 D593 R594 S600 L601	V524-D597 HydrophobicContact CG1-CB 4.23Å; H528-D597 IonicContact CD2-OD2 3.95Å; H528-D597 IonicContact CE1-OD2 2.89Å; H528-D597 IonicContact NE2-OD2 3.6Å; H528-D597 PolarHBondContact NE2-OD2 3.43Å; V533-D597 WeakPolarHBondContact CG1-OD2 3.29Å; H534-D597 PolarHBondContact N-OD2 2.87Å; R535-D597 WeakPolarHBondContact CA-OD1 3.37Å; R535-D597 PolarHBondContact N-OD1 2.81Å; L537-D597 HydrophobicContact CD1-CB 3.71Å; D593-D597 PolarHBondContact O-N 2.79Å; D593-D597 VanDerWaalsContact O-N 3.16Å; R594-D597 WeakPolarHBondContact O-CB 3.24Å; R594-D597 PolarHBondContact O-N 3.44Å; D597-S600 VanDerWaalsContact O-CB 3.25Å; D597-S600 WeakPolarHBondContact O-CB 3.35Å; D597-S600 PolarHBondContact O-N 3.09Å; D597-L601 WeakPolarHBondContact O-CG 3.23Å; D597-L601 PolarHBondContact O-N 2.72Å
598	V	94.9	Very high	84.9	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.006	14%	0.14	C	C	.	.	H	α-helix	trans	-67.8	-36.4	176.9	-179.4	0	0	0	0	112.2	R594 A595 C596 L601 G602 M656 R664 I665 A667 V670	R594-V598 PolarHBondContact O-N 3.44Å; A595-V598 PolarHBondContact O-N 2.96Å; C596-V598 VanDerWaalsContact C-N 3.3Å; C596-V598 PolarHBondContact O-N 2.97Å; V598-L601 WeakPolarHBondContact O-CB 3.37Å; V598-L601 PolarHBondContact O-N 3.41Å; V598-G602 PolarHBondContact O-N 2.93Å; V598-M656 HydrophobicContact CG1-CB 4.2Å; V598-M656 HydrophobicContact CG1-CE 4.22Å; V598-M656 HydrophobicContact CG1-CG 4.04Å; V598-R664 HydrophobicContact CG1-CG 4.37Å; V598-I665 HydrophobicContact CG1-CG2 4.05Å; V598-I665 VanDerWaalsContact CG1-O 3.29Å; V598-I665 WeakPolarHBondContact CG1-O 3.28Å; V598-A667 HydrophobicContact CG2-CB 4.28Å; V598-V670 HydrophobicContact CG1-CG2 4.21Å
599	W	91.6	Very high	86.4	Confident	31 Å²	31	23.7 Å²	23.7	12%	0.117	11%	0.111	C	C	.	.	H	α-helix	trans	-62.6	-46	175.2	178.8	51.1	0	0	0	111.7	A595 C596 L601 G602 V603 F615 V630 L657 I707	A595-W599 WeakPolarHBondContact O-CB 3.31Å; A595-W599 PolarHBondContact O-N 3.14Å; C596-W599 WeakPolarHBondContact O-CB 3.47Å; C596-W599 PolarHBondContact O-N 2.96Å; C596-W599 VanDerWaalsContact O-N 3.16Å; W599-L601 VanDerWaalsContact C-N 3.3Å; W599-L601 PolarHBondContact O-N 2.74Å; W599-G602 CarbonylContact O-C 3.33Å; W599-G602 WeakPolarHBondContact O-CA 3.35Å; W599-G602 PolarHBondContact O-N 2.91Å; W599-V603 PolarHBondContact O-N 3.26Å; W599-F615 HydrophobicContact CZ2-CE2 4.19Å; W599-F615 AromaticContact NE1-CE2 3.84Å; W599-V630 HydrophobicContact CH2-CG1 3.95Å; W599-V630 HydrophobicContact CZ2-CG1 3.69Å; W599-V630 HydrophobicContact CZ2-CG2 4.11Å; W599-L657 HydrophobicContact CG-CD2 4.39Å; W599-I707 HydrophobicContact CE3-CD1 4.39Å; W599-I707 HydrophobicContact CH2-CB 4.49Å; W599-I707 HydrophobicContact CH2-CD1 3.03Å; W599-I707 HydrophobicContact CH2-CG1 3.47Å; W599-I707 VanDerWaalsContact CH2-CG1 3.47Å; W599-I707 HydrophobicContact CH2-CG2 4.22Å; W599-I707 HydrophobicContact CZ2-CD1 3.87Å; W599-I707 HydrophobicContact CZ3-CB 4.47Å; W599-I707 HydrophobicContact CZ3-CD1 3.33Å; W599-I707 HydrophobicContact CZ3-CG1 3.87Å; W599-I707 HydrophobicContact CZ3-CG2 3.8Å
600	S	92	Very high	87.4	Confident	9 Å²	9	16.8 Å²	16.8	6%	0.063	9%	0.085	C	C	.	.	H	α-helix	trans	-52.2	-45.7	170.8	-92.5	0	0	0	0	112.9	L537 C596 D597 G602 V603 L604 Y704	L537-S600 WeakPolarHBondContact O-CB 3.38Å; L537-S600 PolarHBondContact O-OG 2.86Å; C596-S600 WeakPolarHBondContact O-CB 3.22Å; C596-S600 PolarHBondContact O-N 3.04Å; D597-S600 VanDerWaalsContact O-CB 3.25Å; D597-S600 WeakPolarHBondContact O-CB 3.35Å; D597-S600 PolarHBondContact O-N 3.09Å; S600-G602 VanDerWaalsContact C-N 3.29Å; S600-G602 PolarHBondContact O-N 3.39Å; S600-V603 PolarHBondContact O-N 2.85Å; S600-L604 PolarHBondContact O-N 2.72Å; S600-Y704 WeakPolarHBondContact CA-OH 3.48Å; S600-Y704 WeakPolarHBondContact CB-OH 3.4Å; S600-Y704 WeakPolarHBondContact OG-CE1 3.45Å; S600-Y704 PolarHBondContact OG-OH 3.43Å; S600-Y704 VanDerWaalsContact OG-OH 3.08Å
601	L	94.9	Very high	88.6	Confident	3 Å²	3	15.8 Å²	15.8	2%	0.016	8%	0.08	C	C	.	.	H	α-helix	trans	-64	-33.9	174.4	-66.8	170	0	0	0	112.2	L517 I520 V521 V524 L537 D597 V598 W599 L604 M605 M656	L517-L601 HydrophobicContact CD1-CD2 4.29Å; I520-L601 HydrophobicContact CB-CD2 4.33Å; I520-L601 HydrophobicContact CG2-CD2 3.44Å; I520-L601 VanDerWaalsContact CG2-CD2 3.44Å; V521-L601 HydrophobicContact CG2-CD1 4.07Å; V524-L601 HydrophobicContact CB-CD1 4.25Å; V524-L601 HydrophobicContact CG1-CD1 4.19Å; V524-L601 HydrophobicContact CG2-CD1 4.2Å; L537-L601 HydrophobicContact CD1-CG 4.48Å; D597-L601 WeakPolarHBondContact O-CG 3.23Å; D597-L601 PolarHBondContact O-N 2.72Å; V598-L601 WeakPolarHBondContact O-CB 3.37Å; V598-L601 PolarHBondContact O-N 3.41Å; W599-L601 VanDerWaalsContact C-N 3.3Å; W599-L601 PolarHBondContact O-N 2.74Å; L601-L604 PolarHBondContact O-N 3.04Å; L601-M605 WeakPolarHBondContact O-CB 3.04Å; L601-M605 PolarHBondContact O-N 3.07Å; L601-M656 VanDerWaalsContact C-CE 3.45Å; L601-M656 HydrophobicContact CB-CE 3.33Å
602	G	93.8	Very high	89.4	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-67.7	-39.5	174.5	0	0	0	0	0	112.5	V598 W599 S600 M605 Y606	V598-G602 PolarHBondContact O-N 2.93Å; W599-G602 CarbonylContact O-C 3.33Å; W599-G602 WeakPolarHBondContact O-CA 3.35Å; W599-G602 PolarHBondContact O-N 2.91Å; S600-G602 VanDerWaalsContact C-N 3.29Å; S600-G602 PolarHBondContact O-N 3.39Å; G602-M605 PolarHBondContact O-N 3.14Å; G602-Y606 WeakPolarHBondContact O-CB 3.49Å; G602-Y606 PolarHBondContact O-N 3.2Å
603	V	90.9	Very high	89.8	Confident	2 Å²	2	12 Å²	12	1%	0.012	6%	0.059	C	C	.	.	H	α-helix	trans	-64.9	-42.9	174.3	173.8	0	0	0	0	110.1	W599 S600 Y606 A607 P614 L657 Y704	W599-V603 PolarHBondContact O-N 3.26Å; S600-V603 PolarHBondContact O-N 2.85Å; V603-Y606 PolarHBondContact O-N 3.05Å; V603-A607 PolarHBondContact O-N 2.93Å; V603-P614 HydrophobicContact CG1-CG 4.49Å; V603-P614 HydrophobicContact CG2-CG 4.12Å; V603-L657 HydrophobicContact CG2-CD2 3.89Å; V603-Y704 HydrophobicContact CG1-CE2 4.35Å
604	L	91.4	Very high	90	Very high	5 Å²	5	11.4 Å²	11.4	3%	0.026	6%	0.056	C	C	.	.	H	α-helix	trans	-60.3	-48.1	173.9	175	63	0	0	0	111.2	L498 L499 L517 I520 P539 S600 L601 Y606 A607 M608	L498-L604 HydrophobicContact CD2-CD1 4.18Å; L498-L604 HydrophobicContact CD2-CD2 4.23Å; L499-L604 HydrophobicContact CD2-CD1 4.18Å; L499-L604 HydrophobicContact CG-CD1 4.2Å; L517-L604 HydrophobicContact CD1-CD2 4.25Å; I520-L604 HydrophobicContact CD1-CD2 3.7Å; P539-L604 HydrophobicContact CB-CD1 3.82Å; P539-L604 HydrophobicContact CG-CB 4.39Å; P539-L604 HydrophobicContact CG-CD1 3.79Å; S600-L604 PolarHBondContact O-N 2.72Å; L601-L604 PolarHBondContact O-N 3.04Å; L604-Y606 VanDerWaalsContact C-N 3.34Å; L604-Y606 PolarHBondContact O-N 3.48Å; L604-A607 PolarHBondContact O-N 2.98Å; L604-M608 HydrophobicContact CD1-CG 4.1Å; L604-M608 HydrophobicContact CD1-SD 4Å; L604-M608 HydrophobicContact CD2-SD 4.42Å; L604-M608 HydrophobicContact CG-CG 4.38Å; L604-M608 HydrophobicContact CG-SD 3.83Å; L604-M608 VanDerWaalsContact O-CG 3.25Å; L604-M608 WeakPolarHBondContact O-CG 3.37Å; L604-M608 PolarHBondContact O-N 3.43Å
605	M	94	Very high	89.9	Confident	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-58.1	-45.4	177.3	-175.9	179	172.1	0	0	111.8	L517 L601 G602 A607 M608 L609 A649 L652 I653 M656 W675	L517-M605 HydrophobicContact CD2-CB 3.69Å; L517-M605 HydrophobicContact CD2-CG 3.75Å; L517-M605 HydrophobicContact CD2-SD 3.8Å; L601-M605 WeakPolarHBondContact O-CB 3.04Å; L601-M605 PolarHBondContact O-N 3.07Å; G602-M605 PolarHBondContact O-N 3.14Å; M605-A607 VanDerWaalsContact C-N 3.32Å; M605-A607 PolarHBondContact O-N 3.44Å; M605-M608 PolarHBondContact O-N 3.04Å; M605-L609 HydrophobicContact CE-CD1 3.74Å; M605-L609 HydrophobicContact CG-CD1 4.14Å; M605-L609 WeakPolarHBondContact O-CG 3.24Å; M605-L609 PolarHBondContact O-N 2.82Å; M605-L609 VanDerWaalsContact O-N 3.11Å; M605-A649 HydrophobicContact CE-CB 4.01Å; M605-A649 WeakPolarHBondContact CE-O 3.23Å; M605-L652 HydrophobicContact CE-CB 4.13Å; M605-L652 HydrophobicContact CE-CD2 4.04Å; M605-L652 HydrophobicContact CE-CG 4.28Å; M605-L652 HydrophobicContact SD-CB 4.33Å; M605-L652 HydrophobicContact SD-CD2 3.85Å; M605-L652 HydrophobicContact SD-CG 3.93Å; M605-I653 HydrophobicContact CB-CG1 4.49Å; M605-I653 HydrophobicContact CE-CD1 4.19Å; M605-I653 HydrophobicContact CE-CG1 3.75Å; M605-I653 HydrophobicContact CG-CD1 4.2Å; M605-I653 HydrophobicContact CG-CG1 3.93Å; M605-I653 HydrophobicContact SD-CD1 4.38Å; M605-I653 HydrophobicContact SD-CG1 3.58Å; M605-I653 VanDerWaalsContact SD-CG1 3.58Å; M605-M656 HydrophobicContact SD-SD 4.09Å; M605-W675 HydrophobicContact CE-CD2 3.63Å; M605-W675 HydrophobicContact CE-CE3 3.55Å; M605-W675 HydrophobicContact CE-CG 4.35Å; M605-W675 HydrophobicContact CE-CH2 3.77Å; M605-W675 HydrophobicContact CE-CZ2 3.87Å; M605-W675 HydrophobicContact CE-CZ3 3.61Å; M605-W675 HydrophobicContact CG-CH2 4.33Å; M605-W675 HydrophobicContact CG-CZ3 4.34Å; M605-W675 HydrophobicContact SD-CE3 4.25Å; M605-W675 HydrophobicContact SD-CH2 4.48Å; M605-W675 HydrophobicContact SD-CZ3 4.03Å
606	Y	92.1	Very high	89.4	Confident	4 Å²	4	8.5 Å²	8.5	2%	0.016	4%	0.044	C	C	.	.	H	α-helix	trans	-58.5	-45.7	176.8	-173.3	-75	0	0	0	110.9	G602 V603 L604 L609 S610 Q612 T613 P614 F635 A636 L637 W642 I653	G602-Y606 WeakPolarHBondContact O-CB 3.49Å; G602-Y606 PolarHBondContact O-N 3.2Å; V603-Y606 PolarHBondContact O-N 3.05Å; L604-Y606 VanDerWaalsContact C-N 3.34Å; L604-Y606 PolarHBondContact O-N 3.48Å; Y606-L609 PolarHBondContact O-N 3.06Å; Y606-S610 WeakPolarHBondContact CD1-OG 3.39Å; Y606-S610 VanDerWaalsContact CE1-OG 3.25Å; Y606-S610 WeakPolarHBondContact CE1-OG 3.49Å; Y606-S610 WeakPolarHBondContact O-CB 3.22Å; Y606-S610 PolarHBondContact O-N 3.43Å; Y606-S610 PolarHBondContact O-OG 2.91Å; Y606-Q612 VanDerWaalsContact CD1-O 3.29Å; Y606-Q612 WeakPolarHBondContact CD1-O 3.45Å; Y606-Q612 HydrophobicContact CE1-CB 3.97Å; Y606-T613 WeakPolarHBondContact CE1-O 3.41Å; Y606-P614 HydrophobicContact CD1-CB 4.17Å; Y606-P614 HydrophobicContact CD1-CG 4.33Å; Y606-P614 HydrophobicContact CD2-CB 3.84Å; Y606-P614 HydrophobicContact CD2-CG 4.45Å; Y606-P614 HydrophobicContact CE1-CB 4.32Å; Y606-P614 HydrophobicContact CE2-CB 4Å; Y606-P614 HydrophobicContact CG-CB 3.95Å; Y606-P614 HydrophobicContact CG-CG 4.12Å; Y606-F635 HydrophobicContact CD2-CD2 4.22Å; Y606-F635 AromaticContact CE2-CD2 3.95Å; Y606-F635 HydrophobicContact CE2-CD2 3.95Å; Y606-A636 WeakPolarHBondContact CE2-O 3.48Å; Y606-A636 PolarHBondContact OH-O 3.03Å; Y606-L637 HydrophobicContact CD2-CD2 4.34Å; Y606-L637 HydrophobicContact CE2-CD2 4.09Å; Y606-W642 HydrophobicContact CD1-CZ2 4.03Å; Y606-W642 AromaticContact CD2-CH2 3.84Å; Y606-W642 HydrophobicContact CD2-CH2 3.84Å; Y606-W642 AromaticContact CD2-CZ2 3.36Å; Y606-W642 HydrophobicContact CD2-CZ2 3.36Å; Y606-W642 AromaticContact CE1-CZ2 3.95Å; Y606-W642 HydrophobicContact CE1-CZ2 3.95Å; Y606-W642 AromaticContact CE2-CE2 3.71Å; Y606-W642 HydrophobicContact CE2-CH2 4.13Å; Y606-W642 AromaticContact CE2-CZ2 3.25Å; Y606-W642 HydrophobicContact CE2-CZ2 3.25Å; Y606-W642 AromaticContact CE2-NE1 3.87Å; Y606-W642 HydrophobicContact CG-CH2 4.22Å; Y606-W642 AromaticContact CG-CZ2 3.75Å; Y606-W642 HydrophobicContact CG-CZ2 3.75Å; Y606-W642 AromaticContact CZ-CE2 3.83Å; Y606-W642 AromaticContact CZ-CZ2 3.56Å; Y606-W642 AromaticContact CZ-NE1 3.59Å; Y606-W642 PolarHBondContact OH-NE1 3.37Å; Y606-I653 HydrophobicContact CD2-CD1 4.5Å; Y606-I653 HydrophobicContact CD2-CG2 4.25Å
607	A	89.1	Confident	89	Confident	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.9	-41.1	177.5	0	0	0	0	0	113.2	L499 V603 L604 M605 L609 G611 Q612 V696	L499-A607 HydrophobicContact CD1-CB 4.04Å; L499-A607 HydrophobicContact CD2-CB 4.05Å; V603-A607 PolarHBondContact O-N 2.93Å; L604-A607 PolarHBondContact O-N 2.98Å; M605-A607 VanDerWaalsContact C-N 3.32Å; M605-A607 PolarHBondContact O-N 3.44Å; A607-L609 VanDerWaalsContact C-N 3.27Å; A607-L609 PolarHBondContact O-N 3.1Å; A607-G611 WeakPolarHBondContact O-CA 3.31Å; A607-G611 PolarHBondContact O-N 3.36Å; A607-Q612 WeakPolarHBondContact CA-O 3.5Å; A607-V696 HydrophobicContact CB-CG1 4.34Å
608	M	90.2	Very high	88.4	Confident	1 Å²	1	14.5 Å²	14.5	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-63.4	-31.6	177.2	-70	175.6	57.1	0	0	113.2	L498 L499 I502 F508 A513 A516 L604 M605 F689	L498-M608 HydrophobicContact CD2-SD 4.03Å; L499-M608 HydrophobicContact CD2-CG 3.85Å; I502-M608 HydrophobicContact CD1-CB 4.27Å; I502-M608 HydrophobicContact CD1-CE 3.69Å; I502-M608 HydrophobicContact CD1-CG 3.64Å; I502-M608 HydrophobicContact CD1-SD 4.16Å; F508-M608 HydrophobicContact CE1-CB 4.44Å; F508-M608 HydrophobicContact CE1-CE 4.3Å; F508-M608 HydrophobicContact CZ-CE 3.98Å; A513-M608 HydrophobicContact CB-CE 3.93Å; A513-M608 VanDerWaalsContact O-CE 3.31Å; A513-M608 WeakPolarHBondContact O-CE 3.41Å; A516-M608 HydrophobicContact CB-CE 3.93Å; L604-M608 HydrophobicContact CD1-CG 4.1Å; L604-M608 HydrophobicContact CD1-SD 4Å; L604-M608 HydrophobicContact CD2-SD 4.42Å; L604-M608 HydrophobicContact CG-CG 4.38Å; L604-M608 HydrophobicContact CG-SD 3.83Å; L604-M608 VanDerWaalsContact O-CG 3.25Å; L604-M608 WeakPolarHBondContact O-CG 3.37Å; L604-M608 PolarHBondContact O-N 3.43Å; M605-M608 PolarHBondContact O-N 3.04Å; M608-F689 WeakPolarHBondContact O-CZ 3.48Å
609	L	91.5	Very high	87.5	Confident	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-94.6	-18.5	-176.2	-67.9	-178.9	0	0	0	114.5	E510 A513 M605 Y606 A607 W642 I645 A649 I653 W675 I687	E510-L609 HydrophobicContact CG-CD2 4Å; A513-L609 HydrophobicContact CB-CD2 3.68Å; M605-L609 HydrophobicContact CE-CD1 3.74Å; M605-L609 HydrophobicContact CG-CD1 4.14Å; M605-L609 WeakPolarHBondContact O-CG 3.24Å; M605-L609 PolarHBondContact O-N 2.82Å; M605-L609 VanDerWaalsContact O-N 3.11Å; Y606-L609 PolarHBondContact O-N 3.06Å; A607-L609 VanDerWaalsContact C-N 3.27Å; A607-L609 PolarHBondContact O-N 3.1Å; L609-W642 HydrophobicContact CB-CH2 3.94Å; L609-W642 HydrophobicContact CB-CZ3 4.22Å; L609-W642 HydrophobicContact CD1-CZ3 4.41Å; L609-I645 HydrophobicContact CB-CD1 4.48Å; L609-I645 HydrophobicContact CD1-CG2 4.26Å; L609-A649 HydrophobicContact CD1-CB 3.94Å; L609-I653 HydrophobicContact CD1-CD1 4.2Å; L609-W675 HydrophobicContact CD1-CH2 4.45Å; L609-W675 HydrophobicContact CD1-CZ2 3.98Å; L609-W675 HydrophobicContact CD2-CZ2 4.08Å; L609-W675 HydrophobicContact CG-CZ2 4.47Å; L609-I687 HydrophobicContact CD2-CD1 3.84Å
610	S	88.5	Confident	87.1	Confident	1 Å²	1	21.7 Å²	21.7	1%	0.007	13%	0.126	C	C	.	.	H	α-helix	trans	-125.2	-18.6	-175	65.6	0	0	0	0	115.3	Y606 Q612	Y606-S610 WeakPolarHBondContact CD1-OG 3.39Å; Y606-S610 VanDerWaalsContact CE1-OG 3.25Å; Y606-S610 WeakPolarHBondContact CE1-OG 3.49Å; Y606-S610 WeakPolarHBondContact O-CB 3.22Å; Y606-S610 PolarHBondContact O-N 3.43Å; Y606-S610 PolarHBondContact O-OG 2.91Å; S610-Q612 PolarHBondContact O-N 2.89Å; S610-Q612 PolarHBondContact OG-N 3.36Å; S610-Q612 PolarHBondContact OG-O 3.02Å
611	G	85.7	Confident	86.6	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	62.5	31.7	-168.2	0	0	0	0	0	111.8	A607 N691 V696	A607-G611 WeakPolarHBondContact O-CA 3.31Å; A607-G611 PolarHBondContact O-N 3.36Å; G611-N691 PolarHBondContact O-ND2 3.36Å; G611-V696 WeakPolarHBondContact O-CG2 3.33Å
612	Q	84.7	Confident	86.1	Confident	72 Å²	72	23.8 Å²	23.8	34%	0.336	14%	0.139	S	C	.	.	S	Bend	trans	-141.8	169.8	179.5	-67.8	-179.7	-13.9	0	0	109.5	Y606 A607 S610 N691	Y606-Q612 VanDerWaalsContact CD1-O 3.29Å; Y606-Q612 WeakPolarHBondContact CD1-O 3.45Å; Y606-Q612 HydrophobicContact CE1-CB 3.97Å; A607-Q612 WeakPolarHBondContact CA-O 3.5Å; S610-Q612 PolarHBondContact O-N 2.89Å; S610-Q612 PolarHBondContact OG-N 3.36Å; S610-Q612 PolarHBondContact OG-O 3.02Å; Q612-N691 WeakPolarHBondContact CG-ND2 3.29Å
613	T	83.6	Confident	85.3	Confident	8 Å²	8	26.6 Å²	26.6	5%	0.049	16%	0.158	C	C	.	.			trans	-106.7	153.6	168	75.5	0	0	0	0	110.3	Y606 F615 A616 T699 V700	Y606-T613 WeakPolarHBondContact CE1-O 3.41Å; T613-F615 VanDerWaalsContact C-N 3.28Å; T613-F615 PolarHBondContact O-N 3.38Å; T613-A616 WeakPolarHBondContact OG1-CB 3.42Å; T613-A616 PolarHBondContact OG1-N 3.46Å; T613-A616 VanDerWaalsContact OG1-N 3.14Å; T613-A616 PolarHBondContact OG1-O 2.86Å; T613-T699 WeakPolarHBondContact CG2-OG1 3.38Å; T613-V700 HydrophobicContact CG2-CB 4.16Å; T613-V700 HydrophobicContact CG2-CG2 3.36Å
614	P	85.4	Confident	84.7	Confident	11 Å²	11	30.4 Å²	30.4	7%	0.071	19%	0.185	C	C	.	.	S	Bend	trans	-68.1	-26.7	-176.3	21.3	-28.9	0	0	0	113.5	V603 Y606 F635 L657	V603-P614 HydrophobicContact CG1-CG 4.49Å; V603-P614 HydrophobicContact CG2-CG 4.12Å; Y606-P614 HydrophobicContact CD1-CB 4.17Å; Y606-P614 HydrophobicContact CD1-CG 4.33Å; Y606-P614 HydrophobicContact CD2-CB 3.84Å; Y606-P614 HydrophobicContact CD2-CG 4.45Å; Y606-P614 HydrophobicContact CE1-CB 4.32Å; Y606-P614 HydrophobicContact CE2-CB 4Å; Y606-P614 HydrophobicContact CG-CB 3.95Å; Y606-P614 HydrophobicContact CG-CG 4.12Å; P614-F635 HydrophobicContact CB-CB 3.75Å; P614-F635 HydrophobicContact CB-CD2 4.47Å; P614-F635 HydrophobicContact CB-CG 4.08Å; P614-F635 WeakPolarHBondContact O-CB 3.22Å; P614-L657 HydrophobicContact CB-CD1 3.95Å; P614-L657 HydrophobicContact CG-CD1 3.91Å
615	F	84.1	Confident	84.3	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.009	20%	0.204	C	C	.	.	S	Bend	trans	-126	-27.9	-168	-52	-67	0	0	0	115.1	W599 T613 I626 R629 V630 F635 T703	W599-F615 HydrophobicContact CZ2-CE2 4.19Å; W599-F615 AromaticContact NE1-CE2 3.84Å; T613-F615 VanDerWaalsContact C-N 3.28Å; T613-F615 PolarHBondContact O-N 3.38Å; F615-I626 HydrophobicContact CB-CG2 4.27Å; F615-R629 HydrophobicContact CB-CB 4.45Å; F615-R629 HydrophobicContact CD1-CB 4.21Å; F615-R629 VanDerWaalsContact O-CD 3.24Å; F615-R629 WeakPolarHBondContact O-CD 3.22Å; F615-R629 PolarHBondContact O-NH1 3.28Å; F615-V630 HydrophobicContact CB-CG2 3.85Å; F615-V630 HydrophobicContact CD1-CG2 3.98Å; F615-V630 HydrophobicContact CD2-CG2 3.62Å; F615-V630 HydrophobicContact CE1-CG2 4.45Å; F615-V630 HydrophobicContact CE2-CG2 4.15Å; F615-V630 HydrophobicContact CG-CG2 3.53Å; F615-F635 HydrophobicContact CE1-CB 4.22Å; F615-F635 AromaticContact CE1-CD1 3.79Å; F615-F635 HydrophobicContact CE1-CD1 3.79Å; F615-F635 HydrophobicContact CE1-CG 4.41Å; F615-F635 AromaticContact CZ-CD1 3.9Å; F615-F635 HydrophobicContact CZ-CD1 3.9Å; F615-F635 HydrophobicContact CZ-CE1 4.47Å; F615-T703 HydrophobicContact CD2-CG2 4.5Å
616	A	78.6	Confident	83.7	Confident	3 Å²	3	34.8 Å²	34.8	3%	0.025	21%	0.205	C	C	.	.			trans	-95.5	111	172.6	0	0	0	0	0	109.7	T613 I626 T699 A702 T703	T613-A616 WeakPolarHBondContact OG1-CB 3.42Å; T613-A616 PolarHBondContact OG1-N 3.46Å; T613-A616 VanDerWaalsContact OG1-N 3.14Å; T613-A616 PolarHBondContact OG1-O 2.86Å; A616-I626 HydrophobicContact CB-CD1 4Å; A616-I626 HydrophobicContact CB-CG1 4.26Å; A616-T699 HydrophobicContact CB-CG2 4.46Å; A616-T699 VanDerWaalsContact CB-O 3.31Å; A616-T699 WeakPolarHBondContact CB-O 3.45Å; A616-A702 HydrophobicContact CB-CB 4.4Å; A616-T703 VanDerWaalsContact CB-OG1 3.24Å; A616-T703 WeakPolarHBondContact CB-OG1 3.29Å
617	T	79.4	Confident	82.9	Confident	76 Å²	76	37.4 Å²	37.4	47%	0.466	22%	0.219	S	C	.	.	S	Bend	trans	-81.2	-34.9	177.8	53.9	0	0	0	0	111.7	D621 R629	T617-D621 WeakPolarHBondContact CA-OD2 3.33Å; T617-D621 PolarHBondContact N-OD2 3Å; T617-D621 PolarHBondContact OG1-OD1 3.12Å; T617-D621 PolarHBondContact OG1-OD2 2.74Å; T617-R629 PolarHBondContact OG1-NH1 2.96Å; T617-R629 PolarHBondContact OG1-NH2 3.28Å
618	N	80.5	Confident	82.4	Confident	76 Å²	76	39.9 Å²	39.9	41%	0.406	24%	0.239	S	C	.	.	S	Bend	trans	-133.2	151.1	175.1	-61.3	-67	0	0	0	111.1	T620 D621	N618-T620 PolarHBondContact O-N 2.84Å; N618-T620 VanDerWaalsContact O-N 3.1Å; N618-D621 WeakPolarHBondContact CB-OD1 3.2Å; N618-D621 PolarHBondContact N-OD1 3.26Å; N618-D621 PolarHBondContact N-OD2 2.93Å; N618-D621 WeakPolarHBondContact O-CB 3.4Å; N618-D621 VanDerWaalsContact O-CG 3.29Å; N618-D621 PolarHBondContact O-N 3.2Å
619	P	76.4	Confident	82.1	Confident	55 Å²	55	43.1 Å²	43.1	36%	0.357	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.4	172.9	-26.9	35.9	0	0	0	114.4	F695 A698 T699	P619-F695 HydrophobicContact CG-CD2 4.09Å; P619-F695 HydrophobicContact CG-CE2 4.03Å; P619-A698 HydrophobicContact CB-CB 3.8Å; P619-A698 HydrophobicContact CG-CB 3.79Å; P619-T699 HydrophobicContact CG-CG2 4.01Å
620	T	82.5	Confident	81.5	Confident	128 Å²	128	44.4 Å²	44.4	79%	0.785	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-0.3	-179.3	56.7	0	0	0	0	113.5	N618 S622	N618-T620 PolarHBondContact O-N 2.84Å; N618-T620 VanDerWaalsContact O-N 3.1Å; T620-S622 PolarHBondContact O-N 3.25Å
621	D	82.2	Confident	80.8	Confident	19 Å²	19	46.8 Å²	46.8	10%	0.102	28%	0.284	C	S	.	.			trans	-57.6	134.3	177	-73.8	-8.7	0	0	0	109.6	T617 N618 I626 R629	T617-D621 WeakPolarHBondContact CA-OD2 3.33Å; T617-D621 PolarHBondContact N-OD2 3Å; T617-D621 PolarHBondContact OG1-OD1 3.12Å; T617-D621 PolarHBondContact OG1-OD2 2.74Å; N618-D621 WeakPolarHBondContact CB-OD1 3.2Å; N618-D621 PolarHBondContact N-OD1 3.26Å; N618-D621 PolarHBondContact N-OD2 2.93Å; N618-D621 WeakPolarHBondContact O-CB 3.4Å; N618-D621 VanDerWaalsContact O-CG 3.29Å; N618-D621 PolarHBondContact O-N 3.2Å; D621-I626 HydrophobicContact CB-CD1 3.98Å; D621-I626 HydrophobicContact CB-CG1 3.81Å; D621-R629 IonicContact OD2-CZ 2.85Å; D621-R629 IonicContact OD2-NH1 3.58Å; D621-R629 PolarHBondContact OD2-NH1 3.05Å; D621-R629 IonicContact OD2-NH2 3.77Å
622	S	83.1	Confident	80.5	Confident	36 Å²	36	52.1 Å²	52.1	25%	0.252	31%	0.309	S	S	.	.			trans	-69.3	149.8	179.6	65.7	0	0	0	0	110.8	T620 S624 E625 I626	T620-S622 PolarHBondContact O-N 3.25Å; S622-S624 PolarHBondContact O-N 2.99Å; S622-S624 VanDerWaalsContact O-N 3.12Å; S622-S624 PolarHBondContact OG-OG 2.8Å; S622-E625 WeakPolarHBondContact CB-OE2 3.48Å; S622-E625 PolarHBondContact N-OE2 3.08Å; S622-E625 PolarHBondContact O-N 3.3Å; S622-E625 WeakPolarHBondContact OG-CG 3.45Å; S622-E625 PolarHBondContact OG-N 2.85Å; S622-E625 PolarHBondContact OG-OE2 3.01Å; S622-I626 PolarHBondContact O-N 3.05Å; S622-I626 VanDerWaalsContact O-N 3.11Å
623	P	78.3	Confident	79.9	Confident	60 Å²	60	49.8 Å²	49.8	39%	0.39	30%	0.304	S	S	.	.	H	α-helix	trans	-50.8	-37.7	173	-31.7	37.8	0	0	0	113.6	L627 A706	P623-L627 VanDerWaalsContact O-CB 3.29Å; P623-L627 WeakPolarHBondContact O-CB 3.25Å; P623-L627 WeakPolarHBondContact O-CG 3.48Å; P623-L627 PolarHBondContact O-N 2.83Å; P623-A706 HydrophobicContact CB-CB 3.99Å
624	S	78.5	Confident	79.5	Confident	82 Å²	82	58 Å²	58	57%	0.573	33%	0.334	S	S	*	.	H	α-helix	trans	-63.6	-42.3	177	38.4	0	0	0	0	113.6	S622 A628	S622-S624 PolarHBondContact O-N 2.99Å; S622-S624 VanDerWaalsContact O-N 3.12Å; S622-S624 PolarHBondContact OG-OG 2.8Å; S624-A628 WeakPolarHBondContact O-CB 3.45Å; S624-A628 PolarHBondContact O-N 3Å
625	E	83.1	Confident	79.4	Confident	95 Å²	95	59.3 Å²	59.3	44%	0.444	34%	0.339	S	S	.	.	H	α-helix	trans	-68.8	-41.5	179	-72.7	160.5	148.6	0	0	111.2	S622 A628 R629	S622-E625 WeakPolarHBondContact CB-OE2 3.48Å; S622-E625 PolarHBondContact N-OE2 3.08Å; S622-E625 PolarHBondContact O-N 3.3Å; S622-E625 WeakPolarHBondContact OG-CG 3.45Å; S622-E625 PolarHBondContact OG-N 2.85Å; S622-E625 PolarHBondContact OG-OE2 3.01Å; E625-A628 PolarHBondContact O-N 2.66Å; E625-R629 WeakPolarHBondContact O-CG 3.28Å; E625-R629 PolarHBondContact O-N 2.71Å; E625-R629 VanDerWaalsContact O-N 3.14Å
626	I	79.5	Confident	79.5	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.01	35%	0.354	C	S	.	.	H	α-helix	trans	-62.9	-48.9	176.4	-62.7	172.1	0	0	0	109.8	F615 A616 D621 S622 A628 R629 V630 A702 T703 A706	F615-I626 HydrophobicContact CB-CG2 4.27Å; A616-I626 HydrophobicContact CB-CD1 4Å; A616-I626 HydrophobicContact CB-CG1 4.26Å; D621-I626 HydrophobicContact CB-CD1 3.98Å; D621-I626 HydrophobicContact CB-CG1 3.81Å; S622-I626 PolarHBondContact O-N 3.05Å; S622-I626 VanDerWaalsContact O-N 3.11Å; I626-A628 VanDerWaalsContact C-N 3.3Å; I626-A628 PolarHBondContact O-N 3.01Å; I626-R629 PolarHBondContact O-N 3.34Å; I626-V630 HydrophobicContact CG2-CG2 4.41Å; I626-V630 WeakPolarHBondContact O-CG2 3.14Å; I626-V630 PolarHBondContact O-N 2.69Å; I626-A702 HydrophobicContact CD1-CB 3.98Å; I626-T703 HydrophobicContact CG2-CG2 4.39Å; I626-A706 HydrophobicContact CB-CB 3.85Å; I626-A706 HydrophobicContact CD1-CB 4.06Å; I626-A706 HydrophobicContact CG2-CB 3.79Å
627	L	76.4	Confident	80	Confident	59 Å²	59	61.4 Å²	61.4	31%	0.309	36%	0.355	S	S	.	.	H	α-helix	trans	-62.3	-35.8	178.9	-73.5	171.2	0	0	0	112.4	P623 V630 G631 A706 V710	P623-L627 VanDerWaalsContact O-CB 3.29Å; P623-L627 WeakPolarHBondContact O-CB 3.25Å; P623-L627 WeakPolarHBondContact O-CG 3.48Å; P623-L627 PolarHBondContact O-N 2.83Å; L627-V630 PolarHBondContact O-N 3.08Å; L627-G631 PolarHBondContact O-N 3.36Å; L627-A706 HydrophobicContact CG-CB 4.38Å; L627-V710 HydrophobicContact CD1-CG2 3.72Å; L627-V710 HydrophobicContact CD2-CG2 4.32Å
628	A	79.2	Confident	80.5	Confident	51 Å²	51	63.1 Å²	63.1	42%	0.421	36%	0.361	S	S	.	.	H	α-helix	trans	-61.3	-47	174	0	0	0	0	0	111.5	S624 E625 I626 V630 G631 E632	S624-A628 WeakPolarHBondContact O-CB 3.45Å; S624-A628 PolarHBondContact O-N 3Å; E625-A628 PolarHBondContact O-N 2.66Å; I626-A628 VanDerWaalsContact C-N 3.3Å; I626-A628 PolarHBondContact O-N 3.01Å; A628-V630 PolarHBondContact O-N 3.06Å; A628-G631 PolarHBondContact O-N 2.92Å; A628-E632 WeakPolarHBondContact O-CG 3.24Å; A628-E632 PolarHBondContact O-N 3.14Å
629	R	83.1	Confident	80.7	Confident	70 Å²	70	66.2 Å²	66.2	26%	0.264	37%	0.373	S	S	.	.	H	α-helix	trans	-65	-39.2	177.5	-66	174.4	-164.3	139	0.5	112.6	F615 T617 D621 E625 I626 E632 G633	F615-R629 HydrophobicContact CB-CB 4.45Å; F615-R629 HydrophobicContact CD1-CB 4.21Å; F615-R629 VanDerWaalsContact O-CD 3.24Å; F615-R629 WeakPolarHBondContact O-CD 3.22Å; F615-R629 PolarHBondContact O-NH1 3.28Å; T617-R629 PolarHBondContact OG1-NH1 2.96Å; T617-R629 PolarHBondContact OG1-NH2 3.28Å; D621-R629 IonicContact OD2-CZ 2.85Å; D621-R629 IonicContact OD2-NH1 3.58Å; D621-R629 PolarHBondContact OD2-NH1 3.05Å; D621-R629 IonicContact OD2-NH2 3.77Å; E625-R629 WeakPolarHBondContact O-CG 3.28Å; E625-R629 PolarHBondContact O-N 2.71Å; E625-R629 VanDerWaalsContact O-N 3.14Å; I626-R629 PolarHBondContact O-N 3.34Å; R629-E632 PolarHBondContact O-N 3.09Å; R629-G633 PolarHBondContact O-N 3.21Å; R629-G633 VanDerWaalsContact O-N 3.17Å
630	V	79.6	Confident	81.1	Confident	27 Å²	27	66.4 Å²	66.4	16%	0.164	39%	0.385	C	S	.	.	H	α-helix	trans	-60.5	-46.2	173.2	172	0	0	0	0	110.5	W599 F615 I626 L627 A628 G633	W599-V630 HydrophobicContact CH2-CG1 3.95Å; W599-V630 HydrophobicContact CZ2-CG1 3.69Å; W599-V630 HydrophobicContact CZ2-CG2 4.11Å; F615-V630 HydrophobicContact CB-CG2 3.85Å; F615-V630 HydrophobicContact CD1-CG2 3.98Å; F615-V630 HydrophobicContact CD2-CG2 3.62Å; F615-V630 HydrophobicContact CE1-CG2 4.45Å; F615-V630 HydrophobicContact CE2-CG2 4.15Å; F615-V630 HydrophobicContact CG-CG2 3.53Å; I626-V630 HydrophobicContact CG2-CG2 4.41Å; I626-V630 WeakPolarHBondContact O-CG2 3.14Å; I626-V630 PolarHBondContact O-N 2.69Å; L627-V630 PolarHBondContact O-N 3.08Å; A628-V630 PolarHBondContact O-N 3.06Å; V630-G633 PolarHBondContact O-N 3.28Å; V630-G633 VanDerWaalsContact O-N 3.15Å
631	G	72.8	Confident	81.3	Confident	51 Å²	51	62 Å²	62	53%	0.526	36%	0.357	S	S	.	.	H	α-helix	trans	-66.2	-35.1	179.7	0	0	0	0	0	113.8	L627 A628 G633	L627-G631 PolarHBondContact O-N 3.36Å; A628-G631 PolarHBondContact O-N 2.92Å; G631-G633 VanDerWaalsContact C-N 3.26Å; G631-G633 PolarHBondContact O-N 3.29Å
632	E	79.4	Confident	81.7	Confident	112 Å²	112	61.2 Å²	61.2	52%	0.523	35%	0.352	S	S	.	.	H	α-helix	trans	-71.6	-19.8	173.3	-73.7	-176.4	-150.7	0	0	113.1	A628 R629 R634	A628-E632 WeakPolarHBondContact O-CG 3.24Å; A628-E632 PolarHBondContact O-N 3.14Å; R629-E632 PolarHBondContact O-N 3.09Å; E632-R634 HydrophobicContact CB-CB 4.39Å; E632-R634 HydrophobicContact CB-CG 4.17Å; E632-R634 PolarHBondContact O-N 3.37Å; E632-R634 WeakPolarHBondContact OE2-CD 3.41Å; E632-R634 IonicContact OE2-CZ 3.23Å; E632-R634 IonicContact OE2-NE 2.78Å; E632-R634 IonicContact OE2-NH1 2.77Å; E632-R634 PolarHBondContact OE2-NH1 3.15Å
633	G	72.2	Confident	82.1	Confident	23 Å²	23	66.6 Å²	66.6	24%	0.237	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	19.2	-175.8	0	0	0	0	0	114.1	R629 V630 G631	R629-G633 PolarHBondContact O-N 3.21Å; R629-G633 VanDerWaalsContact O-N 3.17Å; V630-G633 PolarHBondContact O-N 3.28Å; V630-G633 VanDerWaalsContact O-N 3.15Å; G631-G633 VanDerWaalsContact C-N 3.26Å; G631-G633 PolarHBondContact O-N 3.29Å
634	R	75.4	Confident	82.6	Confident	181 Å²	181	66.6 Å²	66.6	68%	0.683	38%	0.375	S	S	*	.			trans	-99.1	116.9	-176.2	-69.8	-179.8	-178.3	162.9	-8.6	110.4	E632	E632-R634 HydrophobicContact CB-CB 4.39Å; E632-R634 HydrophobicContact CB-CG 4.17Å; E632-R634 PolarHBondContact O-N 3.37Å; E632-R634 WeakPolarHBondContact OE2-CD 3.41Å; E632-R634 IonicContact OE2-CZ 3.23Å; E632-R634 IonicContact OE2-NE 2.78Å; E632-R634 IonicContact OE2-NH1 2.77Å; E632-R634 PolarHBondContact OE2-NH1 3.15Å
635	F	83.9	Confident	83.2	Confident	38 Å²	38	63 Å²	63	17%	0.167	35%	0.349	C	S	.	.			trans	-141.7	150.1	171.9	53.4	-88.6	0	0	0	109.2	Y606 P614 F615 L637 I653 L657	Y606-F635 HydrophobicContact CD2-CD2 4.22Å; Y606-F635 AromaticContact CE2-CD2 3.95Å; Y606-F635 HydrophobicContact CE2-CD2 3.95Å; P614-F635 HydrophobicContact CB-CB 3.75Å; P614-F635 HydrophobicContact CB-CD2 4.47Å; P614-F635 HydrophobicContact CB-CG 4.08Å; P614-F635 WeakPolarHBondContact O-CB 3.22Å; F615-F635 HydrophobicContact CE1-CB 4.22Å; F615-F635 AromaticContact CE1-CD1 3.79Å; F615-F635 HydrophobicContact CE1-CD1 3.79Å; F615-F635 HydrophobicContact CE1-CG 4.41Å; F615-F635 AromaticContact CZ-CD1 3.9Å; F615-F635 HydrophobicContact CZ-CD1 3.9Å; F615-F635 HydrophobicContact CZ-CE1 4.47Å; F635-L637 HydrophobicContact CD2-CD1 4.26Å; F635-L637 HydrophobicContact CD2-CD2 4.09Å; F635-L637 HydrophobicContact CD2-CG 3.84Å; F635-L637 HydrophobicContact CE2-CD1 3.6Å; F635-L637 HydrophobicContact CE2-CD2 3.98Å; F635-L637 HydrophobicContact CE2-CG 3.69Å; F635-L637 HydrophobicContact CZ-CD1 4.45Å; F635-I653 HydrophobicContact CD2-CG2 4.45Å; F635-I653 HydrophobicContact CE2-CG2 3.57Å; F635-I653 HydrophobicContact CZ-CG2 4.06Å; F635-L657 HydrophobicContact CD1-CD1 4.4Å; F635-L657 HydrophobicContact CD2-CD1 4.35Å; F635-L657 HydrophobicContact CE1-CB 3.77Å; F635-L657 HydrophobicContact CE1-CD1 4.09Å; F635-L657 HydrophobicContact CE2-CD1 4.02Å; F635-L657 HydrophobicContact CZ-CB 3.78Å; F635-L657 HydrophobicContact CZ-CD1 3.89Å; F635-L657 HydrophobicContact CZ-CG 4.42Å
636	A	85.3	Confident	83.8	Confident	40 Å²	40	59.7 Å²	59.7	33%	0.331	34%	0.336	S	S	.	.			trans	-78.3	126	-172.4	0	0	0	0	0	111.4	Y606 W642	Y606-A636 WeakPolarHBondContact CE2-O 3.48Å; Y606-A636 PolarHBondContact OH-O 3.03Å; A636-W642 PolarHBondContact O-NE1 2.92Å
637	L	90.2	Very high	84.5	Confident	9 Å²	9	65 Å²	65	5%	0.047	37%	0.365	C	S	.	.	S	Bend	trans	-128.4	4.5	173.9	-70	-178.2	0	0	0	113.5	Y606 F635 W642 K650 I653 R654	Y606-L637 HydrophobicContact CD2-CD2 4.34Å; Y606-L637 HydrophobicContact CE2-CD2 4.09Å; F635-L637 HydrophobicContact CD2-CD1 4.26Å; F635-L637 HydrophobicContact CD2-CD2 4.09Å; F635-L637 HydrophobicContact CD2-CG 3.84Å; F635-L637 HydrophobicContact CE2-CD1 3.6Å; F635-L637 HydrophobicContact CE2-CD2 3.98Å; F635-L637 HydrophobicContact CE2-CG 3.69Å; F635-L637 HydrophobicContact CZ-CD1 4.45Å; L637-W642 VanDerWaalsContact C-CB 3.42Å; L637-W642 HydrophobicContact CD2-CD2 3.87Å; L637-W642 HydrophobicContact CD2-CE3 3.7Å; L637-W642 HydrophobicContact CD2-CH2 3.92Å; L637-W642 HydrophobicContact CD2-CZ2 4.04Å; L637-W642 HydrophobicContact CD2-CZ3 3.73Å; L637-W642 VanDerWaalsContact O-CB 3.25Å; L637-W642 WeakPolarHBondContact O-CB 3.4Å; L637-K650 HydrophobicContact CB-CD 4.49Å; L637-K650 HydrophobicContact CB-CG 4.44Å; L637-K650 HydrophobicContact CD1-CB 4.18Å; L637-K650 WeakPolarHBondContact O-CD 3.31Å; L637-K650 WeakPolarHBondContact O-CE 3.32Å; L637-I653 HydrophobicContact CD2-CD1 4.43Å; L637-I653 HydrophobicContact CD2-CG2 4.3Å; L637-R654 HydrophobicContact CD1-CG 3.72Å
638	N	88.2	Confident	85.4	Confident	111 Å²	111	65 Å²	65	59%	0.594	37%	0.367	S	S	*	.	S	Bend	trans	-127	5.4	-174.7	-62.5	-32.4	0	0	0	113	Q643	N638-Q643 WeakPolarHBondContact O-CG 3.43Å
639	E	85.2	Confident	86.2	Confident	142 Å²	142	62.6 Å²	62.6	66%	0.664	35%	0.347	S	S	*	.	S	Bend	trans	-120.5	150	-174.9	-64.4	-179.2	-173.4	0	0	111.3	I641 W642	E639-I641 PolarHBondContact O-N 3.2Å; E639-W642 WeakPolarHBondContact O-CB 3.37Å; E639-W642 PolarHBondContact O-N 3.45Å
640	G	85.6	Confident	86.8	Confident	59 Å²	59	59.9 Å²	59.9	61%	0.608	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	57.1	-125.8	178	0	0	0	0	0	112.8	W642 Q643	G640-W642 PolarHBondContact O-N 3.45Å; G640-Q643 PolarHBondContact O-N 3.42Å
641	I	86.5	Confident	87.6	Confident	35 Å²	35	61.3 Å²	61.3	18%	0.179	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-59.9	-28.9	-176.3	-159.1	163.8	0	0	0	113.1	E639 Q643 S644 I687 N688 F689	E639-I641 PolarHBondContact O-N 3.2Å; I641-Q643 PolarHBondContact O-N 3.4Å; I641-S644 PolarHBondContact O-N 3.38Å; I641-S644 PolarHBondContact O-OG 2.86Å; I641-I687 HydrophobicContact CD1-CG2 3.31Å; I641-I687 HydrophobicContact CG1-CG2 4.17Å; I641-N688 VanDerWaalsContact CD1-O 3.29Å; I641-N688 WeakPolarHBondContact CD1-O 3.38Å; I641-F689 HydrophobicContact CD1-CD1 4.46Å
642	W	90.8	Very high	88.8	Confident	2 Å²	2	58.9 Å²	58.9	1%	0.008	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-66.6	-19.4	-177.6	-66.7	105.6	0	0	0	114.1	Y606 L609 A636 L637 E639 G640 S644 I645 K650 I653	Y606-W642 HydrophobicContact CD1-CZ2 4.03Å; Y606-W642 AromaticContact CD2-CH2 3.84Å; Y606-W642 HydrophobicContact CD2-CH2 3.84Å; Y606-W642 AromaticContact CD2-CZ2 3.36Å; Y606-W642 HydrophobicContact CD2-CZ2 3.36Å; Y606-W642 AromaticContact CE1-CZ2 3.95Å; Y606-W642 HydrophobicContact CE1-CZ2 3.95Å; Y606-W642 AromaticContact CE2-CE2 3.71Å; Y606-W642 HydrophobicContact CE2-CH2 4.13Å; Y606-W642 AromaticContact CE2-CZ2 3.25Å; Y606-W642 HydrophobicContact CE2-CZ2 3.25Å; Y606-W642 AromaticContact CE2-NE1 3.87Å; Y606-W642 HydrophobicContact CG-CH2 4.22Å; Y606-W642 AromaticContact CG-CZ2 3.75Å; Y606-W642 HydrophobicContact CG-CZ2 3.75Å; Y606-W642 AromaticContact CZ-CE2 3.83Å; Y606-W642 AromaticContact CZ-CZ2 3.56Å; Y606-W642 AromaticContact CZ-NE1 3.59Å; Y606-W642 PolarHBondContact OH-NE1 3.37Å; L609-W642 HydrophobicContact CB-CH2 3.94Å; L609-W642 HydrophobicContact CB-CZ3 4.22Å; L609-W642 HydrophobicContact CD1-CZ3 4.41Å; A636-W642 PolarHBondContact O-NE1 2.92Å; L637-W642 VanDerWaalsContact C-CB 3.42Å; L637-W642 HydrophobicContact CD2-CD2 3.87Å; L637-W642 HydrophobicContact CD2-CE3 3.7Å; L637-W642 HydrophobicContact CD2-CH2 3.92Å; L637-W642 HydrophobicContact CD2-CZ2 4.04Å; L637-W642 HydrophobicContact CD2-CZ3 3.73Å; L637-W642 VanDerWaalsContact O-CB 3.25Å; L637-W642 WeakPolarHBondContact O-CB 3.4Å; E639-W642 WeakPolarHBondContact O-CB 3.37Å; E639-W642 PolarHBondContact O-N 3.45Å; G640-W642 PolarHBondContact O-N 3.45Å; W642-S644 PolarHBondContact O-N 3.47Å; W642-I645 HydrophobicContact CE3-CB 3.96Å; W642-I645 HydrophobicContact CE3-CG1 4.06Å; W642-I645 HydrophobicContact CE3-CG2 3.95Å; W642-I645 HydrophobicContact CZ3-CB 4.39Å; W642-I645 HydrophobicContact CZ3-CG1 4.44Å; W642-I645 HydrophobicContact CZ3-CG2 3.92Å; W642-I645 PolarHBondContact O-N 2.81Å; W642-K650 HydrophobicContact CE3-CG 4.26Å; W642-K650 WeakPolarHBondContact O-CE 3.27Å; W642-K650 PolarHBondContact O-NZ 2.78Å; W642-K650 VanDerWaalsContact O-NZ 3.09Å; W642-I653 HydrophobicContact CH2-CD1 3.29Å; W642-I653 HydrophobicContact CZ2-CD1 4.42Å; W642-I653 HydrophobicContact CZ3-CD1 3.55Å
643	Q	89.9	Confident	89.6	Confident	150 Å²	150	53.5 Å²	53.5	70%	0.701	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-63.2	-24.4	171.4	-65.4	-178.8	4.8	0	0	112.2	N638 G640 I641	N638-Q643 WeakPolarHBondContact O-CG 3.43Å; G640-Q643 PolarHBondContact O-N 3.42Å; I641-Q643 PolarHBondContact O-N 3.4Å
644	S	89	Confident	90.7	Very high	60 Å²	60	57.5 Å²	57.5	42%	0.42	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-97.7	-10.4	179.5	71.5	0	0	0	0	114.7	I641 W642	I641-S644 PolarHBondContact O-N 3.38Å; I641-S644 PolarHBondContact O-OG 2.86Å; W642-S644 PolarHBondContact O-N 3.47Å
645	I	92.5	Very high	91.7	Very high	6 Å²	6	52.6 Å²	52.6	3%	0.031	29%	0.285	C	S	.	.	S	Bend	trans	-86.2	140.9	-179.9	-60.4	-60.6	0	0	0	110.1	E510 L609 W642 A649 K650 I687	E510-I645 HydrophobicContact CG-CD1 4.15Å; E510-I645 WeakPolarHBondContact OE1-CA 2.98Å; L609-I645 HydrophobicContact CB-CD1 4.48Å; L609-I645 HydrophobicContact CD1-CG2 4.26Å; W642-I645 HydrophobicContact CE3-CB 3.96Å; W642-I645 HydrophobicContact CE3-CG1 4.06Å; W642-I645 HydrophobicContact CE3-CG2 3.95Å; W642-I645 HydrophobicContact CZ3-CB 4.39Å; W642-I645 HydrophobicContact CZ3-CG1 4.44Å; W642-I645 HydrophobicContact CZ3-CG2 3.92Å; W642-I645 PolarHBondContact O-N 2.81Å; I645-A649 HydrophobicContact CG2-CB 3.73Å; I645-K650 WeakPolarHBondContact O-CE 3.43Å; I645-K650 PolarHBondContact O-NZ 3.35Å; I645-K650 VanDerWaalsContact O-NZ 3.13Å; I645-I687 HydrophobicContact CD1-CD1 3.97Å; I645-I687 HydrophobicContact CD1-CG1 4.22Å
646	S	94.4	Very high	92.2	Very high	25 Å²	25	50.8 Å²	50.8	18%	0.175	28%	0.277	C	S	.	.			trans	-60.2	144.9	-177.5	73	0	0	0	0	113.5	E510 V648 A649 K650	E510-S646 PolarHBondContact OE1-N 3.45Å; E510-S646 WeakPolarHBondContact OE2-CB 3.4Å; E510-S646 PolarHBondContact OE2-OG 2.82Å; S646-V648 PolarHBondContact O-N 2.89Å; S646-A649 WeakPolarHBondContact O-CB 3.45Å; S646-A649 PolarHBondContact O-N 3.34Å; S646-A649 VanDerWaalsContact O-N 3.12Å; S646-A649 WeakPolarHBondContact OG-CB 3.43Å; S646-A649 PolarHBondContact OG-N 3.22Å; S646-K650 PolarHBondContact O-N 3.44Å; S646-K650 VanDerWaalsContact O-N 3.17Å
647	D	94.7	Very high	92.6	Very high	115 Å²	115	49 Å²	49	62%	0.615	26%	0.263	S	S	*	.	H	α-helix	trans	-65.9	-25.2	177.6	-66.5	-34.1	0	0	0	112.6	K650 D651	D647-K650 PolarHBondContact O-N 3.48Å; D647-K650 IonicContact OD1-NZ 3.76Å; D647-K650 PolarHBondContact OD1-NZ 3.19Å; D647-D651 WeakPolarHBondContact O-CB 3.24Å; D647-D651 PolarHBondContact O-N 2.82Å
648	V	95.9	Very high	92.6	Very high	58 Å²	58	51.7 Å²	51.7	35%	0.352	27%	0.274	S	S	.	.	H	α-helix	trans	-67.2	-38.2	174.1	-168.4	0	0	0	0	111	S646 L652 H673 P674 W675	S646-V648 PolarHBondContact O-N 2.89Å; V648-L652 PolarHBondContact O-N 3.17Å; V648-H673 PolarHBondContact O-CE1 3.38Å; V648-P674 HydrophobicContact CG1-CB 3.94Å; V648-W675 HydrophobicContact CG1-CB 3.99Å
649	A	95.7	Very high	92.4	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65.5	-45.9	173.1	0	0	0	0	0	111.2	M605 L609 I645 S646 D651 L652 I653 W675	M605-A649 HydrophobicContact CE-CB 4.01Å; M605-A649 WeakPolarHBondContact CE-O 3.23Å; L609-A649 HydrophobicContact CD1-CB 3.94Å; I645-A649 HydrophobicContact CG2-CB 3.73Å; S646-A649 WeakPolarHBondContact O-CB 3.45Å; S646-A649 PolarHBondContact O-N 3.34Å; S646-A649 VanDerWaalsContact O-N 3.12Å; S646-A649 WeakPolarHBondContact OG-CB 3.43Å; S646-A649 PolarHBondContact OG-N 3.22Å; A649-D651 VanDerWaalsContact C-N 3.32Å; A649-D651 PolarHBondContact O-N 3.48Å; A649-L652 PolarHBondContact O-N 3.24Å; A649-I653 WeakPolarHBondContact O-CG1 3.42Å; A649-I653 PolarHBondContact O-N 3.03Å; A649-W675 VanDerWaalsContact CA-CD1 3.47Å; A649-W675 HydrophobicContact CB-CD2 4.5Å; A649-W675 HydrophobicContact CB-CG 4.29Å; A649-W675 VanDerWaalsContact CB-NE1 3.28Å
650	K	96.1	Very high	92.3	Very high	13 Å²	13	45.7 Å²	45.7	6%	0.057	25%	0.249	C	C	.	.	H	α-helix	trans	-60.2	-41.3	178	-64.9	174	-163.9	156	0	111.7	L637 W642 I645 S646 D647 I653 R654	L637-K650 HydrophobicContact CB-CD 4.49Å; L637-K650 HydrophobicContact CB-CG 4.44Å; L637-K650 HydrophobicContact CD1-CB 4.18Å; L637-K650 WeakPolarHBondContact O-CD 3.31Å; L637-K650 WeakPolarHBondContact O-CE 3.32Å; W642-K650 HydrophobicContact CE3-CG 4.26Å; W642-K650 WeakPolarHBondContact O-CE 3.27Å; W642-K650 PolarHBondContact O-NZ 2.78Å; W642-K650 VanDerWaalsContact O-NZ 3.09Å; I645-K650 WeakPolarHBondContact O-CE 3.43Å; I645-K650 PolarHBondContact O-NZ 3.35Å; I645-K650 VanDerWaalsContact O-NZ 3.13Å; S646-K650 PolarHBondContact O-N 3.44Å; S646-K650 VanDerWaalsContact O-N 3.17Å; D647-K650 PolarHBondContact O-N 3.48Å; D647-K650 IonicContact OD1-NZ 3.76Å; D647-K650 PolarHBondContact OD1-NZ 3.19Å; K650-I653 PolarHBondContact O-N 3.43Å; K650-R654 WeakPolarHBondContact O-CG 3.25Å; K650-R654 PolarHBondContact O-N 2.85Å
651	D	96.6	Very high	92.2	Very high	57 Å²	57	44.2 Å²	44.2	31%	0.305	23%	0.229	S	C	.	.	H	α-helix	trans	-60.2	-45.5	175.5	-179	54.8	0	0	0	112	D647 A649 I653 R654 K655 H673	D647-D651 WeakPolarHBondContact O-CB 3.24Å; D647-D651 PolarHBondContact O-N 2.82Å; A649-D651 VanDerWaalsContact C-N 3.32Å; A649-D651 PolarHBondContact O-N 3.48Å; D651-I653 PolarHBondContact O-N 3.02Å; D651-R654 PolarHBondContact O-N 3.07Å; D651-K655 WeakPolarHBondContact O-CG 3.36Å; D651-K655 PolarHBondContact O-N 2.89Å; D651-K655 VanDerWaalsContact O-N 3.14Å; D651-K655 WeakPolarHBondContact OD1-CE 3.4Å; D651-K655 IonicContact OD1-NZ 2.73Å; D651-K655 VanDerWaalsContact OD2-CE 3.31Å; D651-K655 WeakPolarHBondContact OD2-CE 3.44Å; D651-K655 IonicContact OD2-NZ 3.29Å; D651-K655 PolarHBondContact OD2-NZ 3.33Å; D651-H673 IonicContact OD2-CE1 2.96Å; D651-H673 IonicContact OD2-NE2 3.02Å; D651-H673 PolarHBondContact OD2-NE2 2.89Å
652	L	97.5	Very high	92.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-45.6	176.8	-177	51.6	0	0	0	111.9	M605 V648 A649 R654 K655 M656 I665 V670 H673 W675 I676	M605-L652 HydrophobicContact CE-CB 4.13Å; M605-L652 HydrophobicContact CE-CD2 4.04Å; M605-L652 HydrophobicContact CE-CG 4.28Å; M605-L652 HydrophobicContact SD-CB 4.33Å; M605-L652 HydrophobicContact SD-CD2 3.85Å; M605-L652 HydrophobicContact SD-CG 3.93Å; V648-L652 PolarHBondContact O-N 3.17Å; A649-L652 PolarHBondContact O-N 3.24Å; L652-R654 VanDerWaalsContact C-N 3.3Å; L652-R654 PolarHBondContact O-N 2.94Å; L652-K655 PolarHBondContact O-N 3.3Å; L652-K655 VanDerWaalsContact O-N 3.09Å; L652-M656 HydrophobicContact CD1-CG 3.87Å; L652-M656 HydrophobicContact CD1-SD 3.8Å; L652-M656 HydrophobicContact CD2-SD 4.23Å; L652-M656 HydrophobicContact CG-CG 4.25Å; L652-M656 HydrophobicContact CG-SD 3.68Å; L652-M656 WeakPolarHBondContact O-CG 3.48Å; L652-M656 PolarHBondContact O-N 3.33Å; L652-I665 HydrophobicContact CD1-CD1 4.48Å; L652-V670 HydrophobicContact CD1-CG1 4.27Å; L652-V670 HydrophobicContact CD1-CG2 4.38Å; L652-V670 HydrophobicContact CD2-CG1 4.43Å; L652-H673 HydrophobicContact CD1-CB 3.94Å; L652-H673 HydrophobicContact CD2-CB 4.39Å; L652-W675 HydrophobicContact CD2-CB 4.06Å; L652-W675 HydrophobicContact CD2-CD2 4.35Å; L652-W675 HydrophobicContact CD2-CE3 3.75Å; L652-I676 HydrophobicContact CD2-CG1 3.88Å
653	I	95.8	Very high	92	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.4	-43.3	177.6	-68.7	176.2	0	0	0	110.8	M605 Y606 L609 F635 L637 W642 A649 K650 D651 K655 M656 L657	M605-I653 HydrophobicContact CB-CG1 4.49Å; M605-I653 HydrophobicContact CE-CD1 4.19Å; M605-I653 HydrophobicContact CE-CG1 3.75Å; M605-I653 HydrophobicContact CG-CD1 4.2Å; M605-I653 HydrophobicContact CG-CG1 3.93Å; M605-I653 HydrophobicContact SD-CD1 4.38Å; M605-I653 HydrophobicContact SD-CG1 3.58Å; M605-I653 VanDerWaalsContact SD-CG1 3.58Å; Y606-I653 HydrophobicContact CD2-CD1 4.5Å; Y606-I653 HydrophobicContact CD2-CG2 4.25Å; L609-I653 HydrophobicContact CD1-CD1 4.2Å; F635-I653 HydrophobicContact CD2-CG2 4.45Å; F635-I653 HydrophobicContact CE2-CG2 3.57Å; F635-I653 HydrophobicContact CZ-CG2 4.06Å; L637-I653 HydrophobicContact CD2-CD1 4.43Å; L637-I653 HydrophobicContact CD2-CG2 4.3Å; W642-I653 HydrophobicContact CH2-CD1 3.29Å; W642-I653 HydrophobicContact CZ2-CD1 4.42Å; W642-I653 HydrophobicContact CZ3-CD1 3.55Å; A649-I653 WeakPolarHBondContact O-CG1 3.42Å; A649-I653 PolarHBondContact O-N 3.03Å; K650-I653 PolarHBondContact O-N 3.43Å; D651-I653 PolarHBondContact O-N 3.02Å; I653-K655 VanDerWaalsContact C-N 3.29Å; I653-K655 PolarHBondContact O-N 3.35Å; I653-M656 PolarHBondContact O-N 2.94Å; I653-L657 HydrophobicContact CG2-CD1 3.57Å; I653-L657 HydrophobicContact CG2-CG 4.03Å; I653-L657 VanDerWaalsContact O-CB 3.29Å; I653-L657 WeakPolarHBondContact O-CB 3.46Å; I653-L657 WeakPolarHBondContact O-CG 3.49Å; I653-L657 PolarHBondContact O-N 3.18Å
654	R	95.2	Very high	92.1	Very high	106 Å²	106	49.3 Å²	49.3	40%	0.4	25%	0.251	S	S	.	.	H	α-helix	trans	-59.4	-39.8	176.5	-70.2	179.5	-164.3	107	-0.1	112.3	L637 K650 D651 L652 H658	L637-R654 HydrophobicContact CD1-CG 3.72Å; K650-R654 WeakPolarHBondContact O-CG 3.25Å; K650-R654 PolarHBondContact O-N 2.85Å; D651-R654 PolarHBondContact O-N 3.07Å; L652-R654 VanDerWaalsContact C-N 3.3Å; L652-R654 PolarHBondContact O-N 2.94Å; R654-H658 PolarHBondContact O-N 2.9Å
655	K	96.2	Very high	92.5	Very high	78 Å²	78	47.4 Å²	47.4	34%	0.339	24%	0.236	S	C	.	.	H	α-helix	trans	-71.7	-36.3	178.6	-69.1	173.9	-175	161.8	0	112.9	D651 L652 I653 R664 I665 H673	D651-K655 WeakPolarHBondContact O-CG 3.36Å; D651-K655 PolarHBondContact O-N 2.89Å; D651-K655 VanDerWaalsContact O-N 3.14Å; D651-K655 WeakPolarHBondContact OD1-CE 3.4Å; D651-K655 IonicContact OD1-NZ 2.73Å; D651-K655 VanDerWaalsContact OD2-CE 3.31Å; D651-K655 WeakPolarHBondContact OD2-CE 3.44Å; D651-K655 IonicContact OD2-NZ 3.29Å; D651-K655 PolarHBondContact OD2-NZ 3.33Å; L652-K655 PolarHBondContact O-N 3.3Å; L652-K655 VanDerWaalsContact O-N 3.09Å; I653-K655 VanDerWaalsContact C-N 3.29Å; I653-K655 PolarHBondContact O-N 3.35Å; K655-R664 WeakPolarHBondContact O-CG 3.47Å; K655-I665 HydrophobicContact CB-CB 4.12Å; K655-I665 HydrophobicContact CB-CG2 3.98Å; K655-I665 HydrophobicContact CD-CD1 4.39Å; K655-I665 PolarHBondContact O-N 2.91Å; K655-H673 PolarHBondContact NZ-NE2 3.42Å
656	M	95.5	Very high	92.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-78	-35.6	178.1	-65.5	175.7	79	0	0	112.5	V598 L601 M605 L652 I653 H658 R664 I665 V670	V598-M656 HydrophobicContact CG1-CB 4.2Å; V598-M656 HydrophobicContact CG1-CE 4.22Å; V598-M656 HydrophobicContact CG1-CG 4.04Å; L601-M656 VanDerWaalsContact C-CE 3.45Å; L601-M656 HydrophobicContact CB-CE 3.33Å; M605-M656 HydrophobicContact SD-SD 4.09Å; L652-M656 HydrophobicContact CD1-CG 3.87Å; L652-M656 HydrophobicContact CD1-SD 3.8Å; L652-M656 HydrophobicContact CD2-SD 4.23Å; L652-M656 HydrophobicContact CG-CG 4.25Å; L652-M656 HydrophobicContact CG-SD 3.68Å; L652-M656 WeakPolarHBondContact O-CG 3.48Å; L652-M656 PolarHBondContact O-N 3.33Å; I653-M656 PolarHBondContact O-N 2.94Å; M656-H658 VanDerWaalsContact C-N 3.33Å; M656-R664 WeakPolarHBondContact O-CD 3.31Å; M656-R664 WeakPolarHBondContact O-CG 3.36Å; M656-R664 PolarHBondContact O-NE 3.42Å; M656-I665 HydrophobicContact CB-CG2 4.46Å; M656-I665 HydrophobicContact CG-CG2 3.74Å; M656-V670 HydrophobicContact CE-CG1 4.38Å; M656-V670 HydrophobicContact CE-CG2 4.32Å; M656-V670 HydrophobicContact CG-CG2 4.06Å; M656-V670 HydrophobicContact SD-CG1 4.32Å; M656-V670 HydrophobicContact SD-CG2 4.31Å
657	L	92.1	Very high	92.7	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	25%	0.248	C	C	.	.	S	Bend	trans	-94.8	20.1	178.4	-59.8	-174.7	0	0	0	113.3	W599 V603 P614 F635 I653 V659	W599-L657 HydrophobicContact CG-CD2 4.39Å; V603-L657 HydrophobicContact CG2-CD2 3.89Å; P614-L657 HydrophobicContact CB-CD1 3.95Å; P614-L657 HydrophobicContact CG-CD1 3.91Å; F635-L657 HydrophobicContact CD1-CD1 4.4Å; F635-L657 HydrophobicContact CD2-CD1 4.35Å; F635-L657 HydrophobicContact CE1-CB 3.77Å; F635-L657 HydrophobicContact CE1-CD1 4.09Å; F635-L657 HydrophobicContact CE2-CD1 4.02Å; F635-L657 HydrophobicContact CZ-CB 3.78Å; F635-L657 HydrophobicContact CZ-CD1 3.89Å; F635-L657 HydrophobicContact CZ-CG 4.42Å; I653-L657 HydrophobicContact CG2-CD1 3.57Å; I653-L657 HydrophobicContact CG2-CG 4.03Å; I653-L657 VanDerWaalsContact O-CB 3.29Å; I653-L657 WeakPolarHBondContact O-CB 3.46Å; I653-L657 WeakPolarHBondContact O-CG 3.49Å; I653-L657 PolarHBondContact O-N 3.18Å; L657-V659 PolarHBondContact O-N 3.37Å
658	H	90.2	Very high	92.8	Very high	64 Å²	64	46.7 Å²	46.7	30%	0.296	24%	0.241	S	C	.	.			trans	-61.4	133.3	177.3	-164.1	-82.9	0	0	0	110.6	R654 M656 D660 Q663 R664	R654-H658 PolarHBondContact O-N 2.9Å; M656-H658 VanDerWaalsContact C-N 3.33Å; H658-D660 PolarHBondContact ND1-N 2.9Å; H658-D660 VanDerWaalsContact ND1-N 3.16Å; H658-D660 PolarHBondContact ND1-O 3.32Å; H658-D660 VanDerWaalsContact ND1-O 3.12Å; H658-D660 PolarHBondContact O-N 3.47Å; H658-Q663 VanDerWaalsContact CE1-CB 3.5Å; H658-Q663 WeakPolarHBondContact CE1-CB 3.29Å; H658-Q663 PolarHBondContact CE1-OE1 2.94Å; H658-R664 HydrophobicContact CB-CB 4.33Å; H658-R664 PolarHBondContact O-NE 2.78Å; H658-R664 VanDerWaalsContact O-NE 3.07Å; H658-R664 PolarHBondContact O-NH2 2.84Å
659	V	85.3	Confident	92.9	Very high	75 Å²	75	48.5 Å²	48.5	46%	0.455	25%	0.246	S	C	.	.	S	Bend	trans	-62	-46.5	-175.4	-179.8	0	0	0	0	110.9	L657 P661 R664	L657-V659 PolarHBondContact O-N 3.37Å; V659-P661 VanDerWaalsContact O-CD 3.28Å; V659-P661 WeakPolarHBondContact O-CD 3.35Å; V659-R664 PolarHBondContact O-NH2 3.46Å
660	D	82.2	Confident	93	Very high	52 Å²	52	48.5 Å²	48.5	28%	0.278	25%	0.246	S	C	.	.	S	Bend	trans	-76.2	115.5	174.7	-179.2	0.3	0	0	0	110.7	H658 H662 Q663 R664	H658-D660 PolarHBondContact ND1-N 2.9Å; H658-D660 VanDerWaalsContact ND1-N 3.16Å; H658-D660 PolarHBondContact ND1-O 3.32Å; H658-D660 VanDerWaalsContact ND1-O 3.12Å; H658-D660 PolarHBondContact O-N 3.47Å; D660-H662 PolarHBondContact O-N 2.87Å; D660-H662 WeakPolarHBondContact OD1-CB 3.46Å; D660-H662 IonicContact OD1-CD2 2.59Å; D660-H662 PolarHBondContact OD1-CD2 3.26Å; D660-H662 IonicContact OD1-CG 3.74Å; D660-H662 PolarHBondContact OD1-N 3.13Å; D660-Q663 HydrophobicContact CB-CB 4.32Å; D660-Q663 HydrophobicContact CB-CG 4.41Å; D660-Q663 PolarHBondContact O-N 3.23Å; D660-Q663 PolarHBondContact OD2-NE2 2.86Å; D660-R664 PolarHBondContact O-N 2.65Å
661	P	84.3	Confident	93	Very high	28 Å²	28	49.9 Å²	49.9	18%	0.182	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26	177.4	-22.8	34.9	0	0	0	114.1	Y592 A595 V659 R664	Y592-P661 HydrophobicContact CD2-CB 4.21Å; Y592-P661 HydrophobicContact CD2-CG 3.81Å; Y592-P661 HydrophobicContact CE2-CG 3.96Å; A595-P661 HydrophobicContact CB-CB 3.73Å; V659-P661 VanDerWaalsContact O-CD 3.28Å; V659-P661 WeakPolarHBondContact O-CD 3.35Å; P661-R664 WeakPolarHBondContact O-CB 3.25Å; P661-R664 PolarHBondContact O-N 2.55Å
662	H	83.3	Confident	93.1	Very high	142 Å²	142	53.8 Å²	53.8	66%	0.657	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-25.1	-179.6	-63.8	-67.3	0	0	0	113.3	D660	D660-H662 PolarHBondContact O-N 2.87Å; D660-H662 WeakPolarHBondContact OD1-CB 3.46Å; D660-H662 IonicContact OD1-CD2 2.59Å; D660-H662 PolarHBondContact OD1-CD2 3.26Å; D660-H662 IonicContact OD1-CG 3.74Å; D660-H662 PolarHBondContact OD1-N 3.13Å
663	Q	88.8	Confident	93.1	Very high	128 Å²	128	54.2 Å²	54.2	60%	0.598	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-9.9	174.3	-68.4	178.5	60.5	0	0	112.2	H658 D660	H658-Q663 VanDerWaalsContact CE1-CB 3.5Å; H658-Q663 WeakPolarHBondContact CE1-CB 3.29Å; H658-Q663 PolarHBondContact CE1-OE1 2.94Å; D660-Q663 HydrophobicContact CB-CB 4.32Å; D660-Q663 HydrophobicContact CB-CG 4.41Å; D660-Q663 PolarHBondContact O-N 3.23Å; D660-Q663 PolarHBondContact OD2-NE2 2.86Å
664	R	93.2	Very high	93.1	Very high	24 Å²	24	57 Å²	57	9%	0.091	29%	0.294	C	S	.	.	S	Bend	trans	-67.3	134.5	177.1	-164	176.8	-63.1	142.8	7.6	109.7	A595 V598 K655 M656 H658 V659 D660 P661	A595-R664 WeakPolarHBondContact O-CD 3.29Å; A595-R664 PolarHBondContact O-NH1 3.47Å; V598-R664 HydrophobicContact CG1-CG 4.37Å; K655-R664 WeakPolarHBondContact O-CG 3.47Å; M656-R664 WeakPolarHBondContact O-CD 3.31Å; M656-R664 WeakPolarHBondContact O-CG 3.36Å; M656-R664 PolarHBondContact O-NE 3.42Å; H658-R664 HydrophobicContact CB-CB 4.33Å; H658-R664 PolarHBondContact O-NE 2.78Å; H658-R664 VanDerWaalsContact O-NE 3.07Å; H658-R664 PolarHBondContact O-NH2 2.84Å; V659-R664 PolarHBondContact O-NH2 3.46Å; D660-R664 PolarHBondContact O-N 2.65Å; P661-R664 WeakPolarHBondContact O-CB 3.25Å; P661-R664 PolarHBondContact O-N 2.55Å
665	I	96.6	Very high	93.2	Very high	21 Å²	21	52 Å²	52	11%	0.108	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-58.8	145.8	177.1	-166.5	168.1	0	0	0	110.7	V598 L652 K655 M656 Q669 V670	V598-I665 HydrophobicContact CG1-CG2 4.05Å; V598-I665 VanDerWaalsContact CG1-O 3.29Å; V598-I665 WeakPolarHBondContact CG1-O 3.28Å; L652-I665 HydrophobicContact CD1-CD1 4.48Å; K655-I665 HydrophobicContact CB-CB 4.12Å; K655-I665 HydrophobicContact CB-CG2 3.98Å; K655-I665 HydrophobicContact CD-CD1 4.39Å; K655-I665 PolarHBondContact O-N 2.91Å; M656-I665 HydrophobicContact CB-CG2 4.46Å; M656-I665 HydrophobicContact CG-CG2 3.74Å; I665-Q669 HydrophobicContact CD1-CB 3.79Å; I665-Q669 HydrophobicContact CG1-CB 3.29Å; I665-Q669 HydrophobicContact CG1-CG 4.42Å; I665-V670 HydrophobicContact CB-CG2 4.44Å; I665-V670 HydrophobicContact CD1-CG2 4.2Å; I665-V670 HydrophobicContact CG1-CG2 4.14Å; I665-V670 HydrophobicContact CG2-CG2 3.54Å
666	T	96.4	Very high	93.2	Very high	70 Å²	70	48.3 Å²	48.3	43%	0.429	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-84.7	159.3	174.5	62	0	0	0	0	111.5	A668 Q669 V670	T666-A668 VanDerWaalsContact C-N 3.27Å; T666-A668 PolarHBondContact O-N 3.35Å; T666-Q669 CarbonylContact O-C 3.43Å; T666-Q669 PolarHBondContact O-N 2.63Å; T666-Q669 WeakPolarHBondContact OG1-CB 3.44Å; T666-Q669 VanDerWaalsContact OG1-CD 3.24Å; T666-Q669 VanDerWaalsContact OG1-CG 3.24Å; T666-Q669 WeakPolarHBondContact OG1-CG 3.02Å; T666-Q669 PolarHBondContact OG1-N 3.41Å; T666-Q669 PolarHBondContact OG1-OE1 3.48Å; T666-V670 WeakPolarHBondContact O-CG2 3.37Å; T666-V670 PolarHBondContact O-N 3.3Å
667	A	96.3	Very high	93.2	Very high	2 Å²	2	50.5 Å²	50.5	2%	0.017	28%	0.277	C	S	.	.	H	α-helix	trans	-54.9	-41.7	177.1	0	0	0	0	0	112.7	V521 V524 A525 V598 Q669 V670 L671	V521-A667 HydrophobicContact CG1-CB 4.41Å; V521-A667 VanDerWaalsContact CG1-O 3.31Å; V521-A667 WeakPolarHBondContact CG1-O 3.47Å; V524-A667 HydrophobicContact CG1-CB 4.12Å; A525-A667 HydrophobicContact CB-CB 4Å; V598-A667 HydrophobicContact CG2-CB 4.28Å; A667-Q669 VanDerWaalsContact C-N 3.33Å; A667-Q669 PolarHBondContact O-N 3.21Å; A667-V670 WeakPolarHBondContact O-CB 3.4Å; A667-V670 PolarHBondContact O-N 3.44Å; A667-L671 PolarHBondContact O-N 2.88Å
668	A	96.4	Very high	93.2	Very high	58 Å²	58	57.6 Å²	57.6	48%	0.479	30%	0.303	S	S	.	.	H	α-helix	trans	-61.5	-39.1	175.2	0	0	0	0	0	112.8	T666 L671	T666-A668 VanDerWaalsContact C-N 3.27Å; T666-A668 PolarHBondContact O-N 3.35Å; A668-L671 PolarHBondContact O-N 3.42Å
669	Q	97.4	Very high	93	Very high	97 Å²	97	55 Å²	55	45%	0.453	29%	0.293	S	S	.	.	H	α-helix	trans	-73.6	-30.1	176.2	-71.5	165.4	-34.3	0	0	112.6	I665 T666 A667 L671 L672 H673	I665-Q669 HydrophobicContact CD1-CB 3.79Å; I665-Q669 HydrophobicContact CG1-CB 3.29Å; I665-Q669 HydrophobicContact CG1-CG 4.42Å; T666-Q669 CarbonylContact O-C 3.43Å; T666-Q669 PolarHBondContact O-N 2.63Å; T666-Q669 WeakPolarHBondContact OG1-CB 3.44Å; T666-Q669 VanDerWaalsContact OG1-CD 3.24Å; T666-Q669 VanDerWaalsContact OG1-CG 3.24Å; T666-Q669 WeakPolarHBondContact OG1-CG 3.02Å; T666-Q669 PolarHBondContact OG1-N 3.41Å; T666-Q669 PolarHBondContact OG1-OE1 3.48Å; A667-Q669 VanDerWaalsContact C-N 3.33Å; A667-Q669 PolarHBondContact O-N 3.21Å; Q669-L671 VanDerWaalsContact C-N 3.28Å; Q669-L671 PolarHBondContact O-N 3.22Å; Q669-L672 PolarHBondContact O-N 2.86Å; Q669-L672 VanDerWaalsContact O-N 3.15Å; Q669-H673 PolarHBondContact O-N 2.99Å
670	V	97.8	Very high	93.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.9	-40.9	172.2	173.6	0	0	0	0	110.5	V521 V598 L652 M656 I665 T666 A667 L672 H673 I676	V521-V670 HydrophobicContact CB-CG1 4.38Å; V521-V670 HydrophobicContact CG1-CB 3.83Å; V521-V670 HydrophobicContact CG1-CG1 3.75Å; V521-V670 HydrophobicContact CG2-CG1 3.78Å; V598-V670 HydrophobicContact CG1-CG2 4.21Å; L652-V670 HydrophobicContact CD1-CG1 4.27Å; L652-V670 HydrophobicContact CD1-CG2 4.38Å; L652-V670 HydrophobicContact CD2-CG1 4.43Å; M656-V670 HydrophobicContact CE-CG1 4.38Å; M656-V670 HydrophobicContact CE-CG2 4.32Å; M656-V670 HydrophobicContact CG-CG2 4.06Å; M656-V670 HydrophobicContact SD-CG1 4.32Å; M656-V670 HydrophobicContact SD-CG2 4.31Å; I665-V670 HydrophobicContact CB-CG2 4.44Å; I665-V670 HydrophobicContact CD1-CG2 4.2Å; I665-V670 HydrophobicContact CG1-CG2 4.14Å; I665-V670 HydrophobicContact CG2-CG2 3.54Å; T666-V670 WeakPolarHBondContact O-CG2 3.37Å; T666-V670 PolarHBondContact O-N 3.3Å; A667-V670 WeakPolarHBondContact O-CB 3.4Å; A667-V670 PolarHBondContact O-N 3.44Å; V670-L672 PolarHBondContact O-N 3.05Å; V670-H673 WeakPolarHBondContact O-CB 3.46Å; V670-H673 PolarHBondContact O-N 3.49Å; V670-I676 HydrophobicContact CG1-CG1 4.08Å
671	L	97.1	Very high	93.5	Very high	41 Å²	41	59.2 Å²	59.2	22%	0.215	32%	0.319	C	S	.	.	H	α-helix	trans	-61	-30.8	175.9	-64.3	176	0	0	0	113.4	V521 E522 A525 A667 A668 Q669 H673 I676	V521-L671 HydrophobicContact CB-CD2 3.82Å; V521-L671 HydrophobicContact CG1-CD2 3.48Å; V521-L671 VanDerWaalsContact CG1-CD2 3.48Å; V521-L671 HydrophobicContact CG1-CG 3.66Å; E522-L671 HydrophobicContact CB-CD2 4.42Å; E522-L671 HydrophobicContact CG-CD1 4.11Å; E522-L671 HydrophobicContact CG-CD2 3.5Å; E522-L671 HydrophobicContact CG-CG 4.47Å; A525-L671 HydrophobicContact CB-CD1 3.91Å; A667-L671 PolarHBondContact O-N 2.88Å; A668-L671 PolarHBondContact O-N 3.42Å; Q669-L671 VanDerWaalsContact C-N 3.28Å; Q669-L671 PolarHBondContact O-N 3.22Å; L671-H673 VanDerWaalsContact C-N 3.33Å; L671-I676 HydrophobicContact CD2-CG2 4.2Å
672	L	97.2	Very high	93.8	Very high	139 Å²	139	59 Å²	59	73%	0.728	32%	0.316	S	S	*	.	H	α-helix	trans	-82.5	-12.7	177.5	-59.8	177.2	0	0	0	112.7	Q669 V670	Q669-L672 PolarHBondContact O-N 2.86Å; Q669-L672 VanDerWaalsContact O-N 3.15Å; V670-L672 PolarHBondContact O-N 3.05Å
673	H	98	Very high	94.1	Very high	10 Å²	10	54.8 Å²	54.8	5%	0.046	30%	0.301	C	S	.	.	S	Bend	trans	-66.6	137.2	-177.6	-163.2	-93.3	0	0	0	111	V648 D651 L652 K655 Q669 V670 L671 W675 I676 A677	V648-H673 PolarHBondContact O-CE1 3.38Å; D651-H673 IonicContact OD2-CE1 2.96Å; D651-H673 IonicContact OD2-NE2 3.02Å; D651-H673 PolarHBondContact OD2-NE2 2.89Å; L652-H673 HydrophobicContact CD1-CB 3.94Å; L652-H673 HydrophobicContact CD2-CB 4.39Å; K655-H673 PolarHBondContact NZ-NE2 3.42Å; Q669-H673 PolarHBondContact O-N 2.99Å; V670-H673 WeakPolarHBondContact O-CB 3.46Å; V670-H673 PolarHBondContact O-N 3.49Å; L671-H673 VanDerWaalsContact C-N 3.33Å; H673-W675 PolarHBondContact ND1-N 3.2Å; H673-W675 PolarHBondContact O-N 2.94Å; H673-I676 PolarHBondContact O-N 3.03Å; H673-A677 WeakPolarHBondContact O-CB 3.26Å; H673-A677 PolarHBondContact O-N 3.26Å
674	P	96.7	Very high	94.1	Very high	59 Å²	59	54.2 Å²	54.2	38%	0.383	30%	0.302	S	S	.	.	H	α-helix	trans	-54	-34	-175	-29.3	35.2	0	0	0	114.9	V648 I676 R678	V648-P674 HydrophobicContact CG1-CB 3.94Å; P674-I676 VanDerWaalsContact C-N 3.31Å; P674-I676 PolarHBondContact O-N 3.21Å; P674-R678 WeakPolarHBondContact O-CB 3.37Å; P674-R678 PolarHBondContact O-N 3.3Å; P674-R678 VanDerWaalsContact O-N 3.08Å
675	W	96.6	Very high	93.8	Very high	1 Å²	1	59.8 Å²	59.8	0%	0.004	33%	0.327	C	S	.	.	H	α-helix	trans	-61.4	-36.5	177.5	-165	80.4	0	0	0	113	E510 A513 S514 L517 M605 L609 V648 A649 L652 H673 M682	E510-W675 PolarHBondContact OE2-NE1 3.02Å; A513-W675 HydrophobicContact CB-CH2 3.86Å; A513-W675 HydrophobicContact CB-CZ2 4.06Å; S514-W675 VanDerWaalsContact CA-CZ3 3.46Å; S514-W675 VanDerWaalsContact N-CH2 3.33Å; S514-W675 PolarHBondContact OG-O 3.2Å; L517-W675 HydrophobicContact CB-CZ3 4.25Å; L517-W675 HydrophobicContact CD2-CZ3 3.78Å; M605-W675 HydrophobicContact CE-CD2 3.63Å; M605-W675 HydrophobicContact CE-CE3 3.55Å; M605-W675 HydrophobicContact CE-CG 4.35Å; M605-W675 HydrophobicContact CE-CH2 3.77Å; M605-W675 HydrophobicContact CE-CZ2 3.87Å; M605-W675 HydrophobicContact CE-CZ3 3.61Å; M605-W675 HydrophobicContact CG-CH2 4.33Å; M605-W675 HydrophobicContact CG-CZ3 4.34Å; M605-W675 HydrophobicContact SD-CE3 4.25Å; M605-W675 HydrophobicContact SD-CH2 4.48Å; M605-W675 HydrophobicContact SD-CZ3 4.03Å; L609-W675 HydrophobicContact CD1-CH2 4.45Å; L609-W675 HydrophobicContact CD1-CZ2 3.98Å; L609-W675 HydrophobicContact CD2-CZ2 4.08Å; L609-W675 HydrophobicContact CG-CZ2 4.47Å; V648-W675 HydrophobicContact CG1-CB 3.99Å; A649-W675 VanDerWaalsContact CA-CD1 3.47Å; A649-W675 HydrophobicContact CB-CD2 4.5Å; A649-W675 HydrophobicContact CB-CG 4.29Å; A649-W675 VanDerWaalsContact CB-NE1 3.28Å; L652-W675 HydrophobicContact CD2-CB 4.06Å; L652-W675 HydrophobicContact CD2-CD2 4.35Å; L652-W675 HydrophobicContact CD2-CE3 3.75Å; H673-W675 PolarHBondContact ND1-N 3.2Å; H673-W675 PolarHBondContact O-N 2.94Å; W675-M682 HydrophobicContact CB-SD 4.38Å; W675-M682 HydrophobicContact CG-SD 3.91Å
676	I	96.3	Very high	93.2	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-91.2	-49.1	179.2	-65.3	-67.4	0	0	0	111.5	L517 R518 L652 V670 L671 H673 P674 R678 A679	L517-I676 HydrophobicContact CB-CD1 4.14Å; L517-I676 HydrophobicContact CD2-CD1 4.17Å; L517-I676 HydrophobicContact CG-CD1 4.25Å; R518-I676 HydrophobicContact CB-CD1 4.47Å; R518-I676 HydrophobicContact CB-CG2 3.91Å; R518-I676 HydrophobicContact CG-CG2 3.81Å; R518-I676 PolarHBondContact NH1-O 3.11Å; L652-I676 HydrophobicContact CD2-CG1 3.88Å; V670-I676 HydrophobicContact CG1-CG1 4.08Å; L671-I676 HydrophobicContact CD2-CG2 4.2Å; H673-I676 PolarHBondContact O-N 3.03Å; P674-I676 VanDerWaalsContact C-N 3.31Å; P674-I676 PolarHBondContact O-N 3.21Å; I676-R678 PolarHBondContact O-N 3.29Å; I676-A679 PolarHBondContact O-N 3.43Å
677	A	94.4	Very high	92.6	Very high	45 Å²	45	60.7 Å²	60.7	37%	0.372	33%	0.325	S	S	.	.	H	α-helix	trans	-60	-32.5	-176.8	0	0	0	0	0	112	H673	H673-A677 WeakPolarHBondContact O-CB 3.26Å; H673-A677 PolarHBondContact O-N 3.26Å
678	R	92.4	Very high	91.9	Very high	154 Å²	154	66.1 Å²	66.1	58%	0.581	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.9	41.4	-179.4	-52.6	178.3	-178.9	173.1	-0.9	111.7	P674 I676 S680 L681	P674-R678 WeakPolarHBondContact O-CB 3.37Å; P674-R678 PolarHBondContact O-N 3.3Å; P674-R678 VanDerWaalsContact O-N 3.08Å; I676-R678 PolarHBondContact O-N 3.29Å; R678-S680 PolarHBondContact O-N 2.88Å; R678-S680 VanDerWaalsContact O-N 3.1Å; R678-L681 HydrophobicContact CB-CB 4.37Å; R678-L681 HydrophobicContact CB-CD1 4.05Å; R678-L681 HydrophobicContact CB-CG 4.29Å; R678-L681 HydrophobicContact CG-CD1 4.49Å; R678-L681 WeakPolarHBondContact O-CB 3.34Å; R678-L681 PolarHBondContact O-N 2.94Å
679	A	86.1	Confident	91.3	Very high	9 Å²	9	65.2 Å²	65.2	7%	0.074	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-47.3	-41	-178.9	0	0	0	0	0	113.5	Q511 S514 I676 L681 M682	Q511-A679 WeakPolarHBondContact CG-O 3.32Å; S514-A679 WeakPolarHBondContact OG-CA 3.3Å; S514-A679 WeakPolarHBondContact OG-CB 3.34Å; I676-A679 PolarHBondContact O-N 3.43Å; A679-L681 PolarHBondContact O-N 3.4Å; A679-L681 VanDerWaalsContact O-N 3.15Å; A679-M682 WeakPolarHBondContact O-CB 3.36Å; A679-M682 PolarHBondContact O-N 3.38Å; A679-M682 VanDerWaalsContact O-N 3.1Å
680	S	88.3	Confident	90.2	Very high	89 Å²	89	65.2 Å²	65.2	62%	0.622	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-63.7	-16.2	179	55.8	0	0	0	0	115.3	R678	R678-S680 PolarHBondContact O-N 2.88Å; R678-S680 VanDerWaalsContact O-N 3.1Å
681	L	90.3	Very high	89.3	Confident	127 Å²	127	67.2 Å²	67.2	67%	0.665	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-97.8	-2.8	178	-57.6	-176.8	0	0	0	112.9	R678 A679	R678-L681 HydrophobicContact CB-CB 4.37Å; R678-L681 HydrophobicContact CB-CD1 4.05Å; R678-L681 HydrophobicContact CB-CG 4.29Å; R678-L681 HydrophobicContact CG-CD1 4.49Å; R678-L681 WeakPolarHBondContact O-CB 3.34Å; R678-L681 PolarHBondContact O-N 2.94Å; A679-L681 PolarHBondContact O-N 3.4Å; A679-L681 VanDerWaalsContact O-N 3.15Å
682	M	91	Very high	88.3	Confident	24 Å²	24	69.8 Å²	69.8	12%	0.118	37%	0.374	C	S	.	.	S	Bend	trans	-71.7	153.5	-179.4	-65.4	-57.1	100.5	0	0	111.2	E510 Q511 W675 A679 N684	E510-M682 HydrophobicContact CB-CB 4.14Å; Q511-M682 HydrophobicContact CB-CB 4.23Å; W675-M682 HydrophobicContact CB-SD 4.38Å; W675-M682 HydrophobicContact CG-SD 3.91Å; A679-M682 WeakPolarHBondContact O-CB 3.36Å; A679-M682 PolarHBondContact O-N 3.38Å; A679-M682 VanDerWaalsContact O-N 3.1Å; M682-N684 PolarHBondContact O-N 3.44Å
683	P	89.8	Confident	87.5	Confident	52 Å²	52	64 Å²	64	34%	0.338	35%	0.345	S	S	.	.			trans	-56	122.8	-178.9	-26.3	35	0	0	0	112.3	E510 K685	E510-P683 PolarHBondContact N-O 3.45Å; P683-K685 PolarHBondContact O-N 3.21Å
684	N	88.4	Confident	86.7	Confident	116 Å²	116	67.5 Å²	67.5	62%	0.62	37%	0.37	S	S	*	.			trans	-85.2	24.1	173.5	-159	13.6	0	0	0	112.5	S509 M682	S509-N684 WeakPolarHBondContact CB-OD1 3.24Å; S509-N684 PolarHBondContact OG-OD1 2.87Å; M682-N684 PolarHBondContact O-N 3.44Å
685	K	86.1	Confident	86.2	Confident	142 Å²	142	67.5 Å²	67.5	62%	0.617	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-77.8	134.8	178.4	-174.1	178.6	177	-177.1	0	109	S509 P683 I687	S509-K685 WeakPolarHBondContact CA-O 3.15Å; S509-K685 WeakPolarHBondContact CB-O 3.14Å; P683-K685 PolarHBondContact O-N 3.21Å; K685-I687 PolarHBondContact O-N 3.05Å
686	K	84.7	Confident	85.5	Confident	102 Å²	102	67.5 Å²	67.5	44%	0.443	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-61.3	127.7	176.1	174.4	176.8	163.3	166.3	0	111.2	N506 N688	N506-K686 WeakPolarHBondContact O-CD 3.39Å; N506-K686 WeakPolarHBondContact O-CE 3.42Å; N506-K686 PolarHBondContact O-NZ 3.39Å; K686-N688 WeakPolarHBondContact CE-OD1 3.25Å
687	I	84	Confident	84.7	Confident	8 Å²	8	70.2 Å²	70.2	4%	0.041	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-86.7	123.7	171.8	-58.9	176.9	0	0	0	107.8	F508 E510 L609 I641 I645 K685 F689	F508-I687 WeakPolarHBondContact O-CB 3.35Å; F508-I687 WeakPolarHBondContact O-CG1 3.44Å; F508-I687 PolarHBondContact O-N 2.67Å; E510-I687 HydrophobicContact CG-CD1 4.35Å; L609-I687 HydrophobicContact CD2-CD1 3.84Å; I641-I687 HydrophobicContact CD1-CG2 3.31Å; I641-I687 HydrophobicContact CG1-CG2 4.17Å; I645-I687 HydrophobicContact CD1-CD1 3.97Å; I645-I687 HydrophobicContact CD1-CG1 4.22Å; K685-I687 PolarHBondContact O-N 3.05Å; I687-F689 HydrophobicContact CB-CE1 4.38Å; I687-F689 HydrophobicContact CB-CZ 4.18Å; I687-F689 HydrophobicContact CG2-CD1 3.91Å; I687-F689 HydrophobicContact CG2-CE1 3.42Å; I687-F689 VanDerWaalsContact CG2-CE1 3.42Å; I687-F689 HydrophobicContact CG2-CE2 4.39Å; I687-F689 HydrophobicContact CG2-CZ 3.7Å
688	N	81.9	Confident	84.2	Confident	115 Å²	115	69.9 Å²	69.9	62%	0.615	37%	0.374	S	S	*	.			trans	-99.8	100.1	177.9	-70.6	-34.1	0	0	0	109.3	I641 K686	I641-N688 VanDerWaalsContact CD1-O 3.29Å; I641-N688 WeakPolarHBondContact CD1-O 3.38Å; K686-N688 WeakPolarHBondContact CE-OD1 3.25Å
689	F	81.9	Confident	83.8	Confident	40 Å²	40	62.6 Å²	62.6	18%	0.175	35%	0.346	C	S	.	.			trans	-72.5	137.6	176.7	-55.5	-65.1	0	0	0	111	I502 L503 F508 M608 I641 I687	I502-F689 HydrophobicContact CG2-CE2 3.81Å; I502-F689 HydrophobicContact CG2-CZ 3.77Å; L503-F689 HydrophobicContact CD2-CB 4.06Å; L503-F689 HydrophobicContact CD2-CD1 3.89Å; L503-F689 HydrophobicContact CD2-CD2 3.62Å; L503-F689 HydrophobicContact CD2-CE1 4.21Å; L503-F689 HydrophobicContact CD2-CE2 3.97Å; L503-F689 HydrophobicContact CD2-CG 3.57Å; L503-F689 HydrophobicContact CD2-CZ 4.24Å; F508-F689 HydrophobicContact CB-CE2 4.19Å; F508-F689 HydrophobicContact CD1-CZ 4.18Å; M608-F689 WeakPolarHBondContact O-CZ 3.48Å; I641-F689 HydrophobicContact CD1-CD1 4.46Å; I687-F689 HydrophobicContact CB-CE1 4.38Å; I687-F689 HydrophobicContact CB-CZ 4.18Å; I687-F689 HydrophobicContact CG2-CD1 3.91Å; I687-F689 HydrophobicContact CG2-CE1 3.42Å; I687-F689 VanDerWaalsContact CG2-CE1 3.42Å; I687-F689 HydrophobicContact CG2-CE2 4.39Å; I687-F689 HydrophobicContact CG2-CZ 3.7Å
690	S	76.1	Confident	83.5	Confident	96 Å²	96	62.6 Å²	62.6	67%	0.671	35%	0.346	S	S	*	.	S	Bend	trans	-90.5	-23.8	176.5	53.1	0	0	0	0	113.5
691	N	77.2	Confident	83.1	Confident	43 Å²	43	60.5 Å²	60.5	23%	0.23	33%	0.333	C	S	.	.	S	Bend	trans	-102.7	149.3	-177.3	-62.9	-35.8	0	0	0	111.2	G611 Q612 F695 V696	G611-N691 PolarHBondContact O-ND2 3.36Å; Q612-N691 WeakPolarHBondContact CG-ND2 3.29Å; N691-F695 HydrophobicContact CB-CB 4.48Å; N691-F695 HydrophobicContact CB-CD1 3.86Å; N691-F695 HydrophobicContact CB-CG 4.46Å; N691-V696 HydrophobicContact CB-CG2 4.04Å
692	D	77.5	Confident	82.7	Confident	94 Å²	94	55.1 Å²	55.1	50%	0.503	31%	0.307	S	S	.	.			trans	-76.8	164.9	170	71.5	50.1	0	0	0	112.1	S694 F695 V696	D692-S694 VanDerWaalsContact C-N 3.28Å; D692-S694 PolarHBondContact O-N 2.99Å; D692-S694 WeakPolarHBondContact OD1-CA 3.45Å; D692-S694 WeakPolarHBondContact OD1-CB 3.35Å; D692-S694 PolarHBondContact OD1-N 3.09Å; D692-S694 PolarHBondContact OD1-OG 3.32Å; D692-F695 PolarHBondContact O-N 2.89Å; D692-F695 PolarHBondContact OD1-N 3.37Å; D692-V696 WeakPolarHBondContact O-CG2 3.1Å; D692-V696 PolarHBondContact O-N 3.04Å
693	S	79	Confident	82.2	Confident	18 Å²	18	54 Å²	54	13%	0.126	30%	0.302	C	S	.	.	H	α-helix	trans	-60.9	-35.4	-179.1	-167.3	0	0	0	0	113.7	D500 F695 V696 K697	D500-S693 WeakPolarHBondContact OD1-CB 3.25Å; D500-S693 PolarHBondContact OD1-OG 2.89Å; S693-F695 PolarHBondContact O-N 3.45Å; S693-V696 PolarHBondContact O-N 3.42Å; S693-K697 WeakPolarHBondContact O-CB 2.96Å; S693-K697 WeakPolarHBondContact O-CG 3.42Å; S693-K697 PolarHBondContact O-N 3.45Å
694	S	82.2	Confident	81.6	Confident	83 Å²	83	52.4 Å²	52.4	58%	0.58	29%	0.289	S	S	*	.	H	α-helix	trans	-66.3	-39.8	-177.4	74.9	0	0	0	0	111.8	D692 K697 A698	D692-S694 VanDerWaalsContact C-N 3.28Å; D692-S694 PolarHBondContact O-N 2.99Å; D692-S694 WeakPolarHBondContact OD1-CA 3.45Å; D692-S694 WeakPolarHBondContact OD1-CB 3.35Å; D692-S694 PolarHBondContact OD1-N 3.09Å; D692-S694 PolarHBondContact OD1-OG 3.32Å; S694-K697 PolarHBondContact O-N 3.01Å; S694-A698 WeakPolarHBondContact O-CB 3.44Å; S694-A698 PolarHBondContact O-N 2.93Å
695	F	85	Confident	81	Confident	60 Å²	60	51.6 Å²	51.6	26%	0.263	29%	0.285	S	S	.	.	H	α-helix	trans	-64.7	-45.4	176	-177.5	-89.4	0	0	0	111.6	P619 N691 D692 S693 A698 T699	P619-F695 HydrophobicContact CG-CD2 4.09Å; P619-F695 HydrophobicContact CG-CE2 4.03Å; N691-F695 HydrophobicContact CB-CB 4.48Å; N691-F695 HydrophobicContact CB-CD1 3.86Å; N691-F695 HydrophobicContact CB-CG 4.46Å; D692-F695 PolarHBondContact O-N 2.89Å; D692-F695 PolarHBondContact OD1-N 3.37Å; S693-F695 PolarHBondContact O-N 3.45Å; F695-A698 PolarHBondContact O-N 3.31Å; F695-T699 HydrophobicContact CD1-CG2 4.37Å; F695-T699 HydrophobicContact CE1-CG2 3.91Å; F695-T699 HydrophobicContact CZ-CG2 4.08Å; F695-T699 PolarHBondContact O-N 3.13Å; F695-T699 PolarHBondContact O-OG1 2.9Å
696	V	82.5	Confident	80.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-44.1	178.1	-177.5	0	0	0	0	110.8	L499 L503 A607 G611 N691 D692 S693 A698 T699 V700	L499-V696 HydrophobicContact CD1-CG1 4.25Å; L503-V696 HydrophobicContact CD1-CB 3.81Å; L503-V696 HydrophobicContact CD1-CG1 4.15Å; L503-V696 HydrophobicContact CD1-CG2 3.76Å; A607-V696 HydrophobicContact CB-CG1 4.34Å; G611-V696 WeakPolarHBondContact O-CG2 3.33Å; N691-V696 HydrophobicContact CB-CG2 4.04Å; D692-V696 WeakPolarHBondContact O-CG2 3.1Å; D692-V696 PolarHBondContact O-N 3.04Å; S693-V696 PolarHBondContact O-N 3.42Å; V696-A698 VanDerWaalsContact C-N 3.34Å; V696-A698 PolarHBondContact O-N 3.27Å; V696-T699 WeakPolarHBondContact CA-OG1 3.48Å; V696-T699 PolarHBondContact O-N 2.59Å; V696-T699 PolarHBondContact O-OG1 2.89Å; V696-V700 HydrophobicContact CG1-CG2 4.28Å; V696-V700 WeakPolarHBondContact O-CB 3.44Å; V696-V700 VanDerWaalsContact O-CG2 3.22Å; V696-V700 WeakPolarHBondContact O-CG2 3.29Å; V696-V700 PolarHBondContact O-N 2.79Å
697	K	80.8	Confident	79.8	Confident	57 Å²	57	42.1 Å²	42.1	25%	0.248	25%	0.246	C	C	.	.	H	α-helix	trans	-60	-43.8	175.8	-76.8	-174.8	176.6	-167.4	0	112.6	E497 D500 S693 S694 V700 A701	E497-K697 IonicContact OE1-NZ 3.47Å; E497-K697 PolarHBondContact OE1-NZ 3.38Å; E497-K697 WeakPolarHBondContact OE2-CE 3.15Å; E497-K697 IonicContact OE2-NZ 3.59Å; E497-K697 PolarHBondContact OE2-NZ 3.24Å; D500-K697 VanDerWaalsContact CG-CE 3.4Å; D500-K697 WeakPolarHBondContact OD1-CE 3.4Å; D500-K697 IonicContact OD1-NZ 2.73Å; D500-K697 PolarHBondContact OD1-NZ 3.08Å; D500-K697 VanDerWaalsContact OD1-NZ 3.13Å; D500-K697 WeakPolarHBondContact OD2-CE 3.35Å; D500-K697 IonicContact OD2-NZ 3.49Å; D500-K697 PolarHBondContact OD2-NZ 3.18Å; S693-K697 WeakPolarHBondContact O-CB 2.96Å; S693-K697 WeakPolarHBondContact O-CG 3.42Å; S693-K697 PolarHBondContact O-N 3.45Å; S694-K697 PolarHBondContact O-N 3.01Å; K697-V700 PolarHBondContact O-N 3.33Å; K697-A701 WeakPolarHBondContact O-CB 3.49Å; K697-A701 PolarHBondContact O-N 3.33Å
698	A	83.6	Confident	79.1	Confident	38 Å²	38	47.1 Å²	47.1	31%	0.314	27%	0.272	S	S	.	.	H	α-helix	trans	-66	-40.3	-179	0	0	0	0	0	112	P619 S694 F695 V696 A701 A702	P619-A698 HydrophobicContact CB-CB 3.8Å; P619-A698 HydrophobicContact CG-CB 3.79Å; S694-A698 WeakPolarHBondContact O-CB 3.44Å; S694-A698 PolarHBondContact O-N 2.93Å; F695-A698 PolarHBondContact O-N 3.31Å; V696-A698 VanDerWaalsContact C-N 3.34Å; V696-A698 PolarHBondContact O-N 3.27Å; A698-A701 PolarHBondContact O-N 3.26Å; A698-A702 WeakPolarHBondContact O-CB 3.18Å; A698-A702 PolarHBondContact O-N 3.48Å
699	T	84.4	Confident	78.1	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-69.4	-37.2	174.7	47.3	0	0	0	0	112.7	T613 A616 P619 F695 V696 A702 T703	T613-T699 WeakPolarHBondContact CG2-OG1 3.38Å; A616-T699 HydrophobicContact CB-CG2 4.46Å; A616-T699 VanDerWaalsContact CB-O 3.31Å; A616-T699 WeakPolarHBondContact CB-O 3.45Å; P619-T699 HydrophobicContact CG-CG2 4.01Å; F695-T699 HydrophobicContact CD1-CG2 4.37Å; F695-T699 HydrophobicContact CE1-CG2 3.91Å; F695-T699 HydrophobicContact CZ-CG2 4.08Å; F695-T699 PolarHBondContact O-N 3.13Å; F695-T699 PolarHBondContact O-OG1 2.9Å; V696-T699 WeakPolarHBondContact CA-OG1 3.48Å; V696-T699 PolarHBondContact O-N 2.59Å; V696-T699 PolarHBondContact O-OG1 2.89Å; T699-A702 PolarHBondContact O-N 3.27Å; T699-T703 PolarHBondContact O-N 3.26Å; T699-T703 PolarHBondContact O-OG1 3.13Å
700	V	79.8	Confident	76.6	Confident	10 Å²	10	48.4 Å²	48.4	6%	0.061	29%	0.288	C	S	.	.	H	α-helix	trans	-60.5	-52.3	171.7	167.2	0	0	0	0	109.4	L499 P539 T613 V696 K697 A702 T703 Y704	L499-V700 HydrophobicContact CD1-CG2 4.4Å; P539-V700 HydrophobicContact CB-CG1 4.5Å; P539-V700 HydrophobicContact CG-CG1 3.76Å; P539-V700 HydrophobicContact CG-CG2 4.34Å; T613-V700 HydrophobicContact CG2-CB 4.16Å; T613-V700 HydrophobicContact CG2-CG2 3.36Å; V696-V700 HydrophobicContact CG1-CG2 4.28Å; V696-V700 WeakPolarHBondContact O-CB 3.44Å; V696-V700 VanDerWaalsContact O-CG2 3.22Å; V696-V700 WeakPolarHBondContact O-CG2 3.29Å; V696-V700 PolarHBondContact O-N 2.79Å; K697-V700 PolarHBondContact O-N 3.33Å; V700-A702 VanDerWaalsContact C-N 3.31Å; V700-A702 PolarHBondContact O-N 2.53Å; V700-T703 WeakPolarHBondContact O-CB 3.5Å; V700-T703 PolarHBondContact O-N 3.38Å; V700-T703 VanDerWaalsContact O-N 3.07Å; V700-Y704 HydrophobicContact CG1-CD2 3.76Å; V700-Y704 HydrophobicContact CG1-CE2 3.76Å; V700-Y704 VanDerWaalsContact O-CD2 3.29Å; V700-Y704 WeakPolarHBondContact O-CD2 3.34Å; V700-Y704 PolarHBondContact O-N 3.09Å
701	A	78.7	Confident	75.1	Confident	44 Å²	44	52.1 Å²	52.1	36%	0.364	29%	0.294	S	S	.	.	H	α-helix	trans	-58.5	-42.4	178.9	0	0	0	0	0	112	K697 A698 T703 Y704 N705	K697-A701 WeakPolarHBondContact O-CB 3.49Å; K697-A701 PolarHBondContact O-N 3.33Å; A698-A701 PolarHBondContact O-N 3.26Å; A701-T703 VanDerWaalsContact C-N 3.32Å; A701-T703 PolarHBondContact O-N 3.08Å; A701-Y704 PolarHBondContact O-N 3.17Å; A701-N705 VanDerWaalsContact O-CB 3.29Å; A701-N705 WeakPolarHBondContact O-CB 3.36Å; A701-N705 PolarHBondContact O-N 3.24Å; A701-N705 PolarHBondContact O-ND2 2.64Å
702	A	82.5	Confident	73.2	Confident	14 Å²	14	56.4 Å²	56.4	12%	0.116	32%	0.322	C	S	.	.	H	α-helix	trans	-59	-42.6	174.7	0	0	0	0	0	111.9	A616 I626 A698 T699 V700 N705 A706	A616-A702 HydrophobicContact CB-CB 4.4Å; I626-A702 HydrophobicContact CD1-CB 3.98Å; A698-A702 WeakPolarHBondContact O-CB 3.18Å; A698-A702 PolarHBondContact O-N 3.48Å; T699-A702 PolarHBondContact O-N 3.27Å; V700-A702 VanDerWaalsContact C-N 3.31Å; V700-A702 PolarHBondContact O-N 2.53Å; A702-N705 PolarHBondContact O-N 2.96Å; A702-A706 WeakPolarHBondContact O-CB 3.1Å; A702-A706 PolarHBondContact O-N 3.28Å
703	T	79.7	Confident	71.1	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.006	34%	0.337	C	S	.	.	H	α-helix	trans	-60	-53	176	-56	0	0	0	0	111.3	F615 A616 I626 T699 V700 A701 N705 A706 I707	F615-T703 HydrophobicContact CD2-CG2 4.5Å; A616-T703 VanDerWaalsContact CB-OG1 3.24Å; A616-T703 WeakPolarHBondContact CB-OG1 3.29Å; I626-T703 HydrophobicContact CG2-CG2 4.39Å; T699-T703 PolarHBondContact O-N 3.26Å; T699-T703 PolarHBondContact O-OG1 3.13Å; V700-T703 WeakPolarHBondContact O-CB 3.5Å; V700-T703 PolarHBondContact O-N 3.38Å; V700-T703 VanDerWaalsContact O-N 3.07Å; A701-T703 VanDerWaalsContact C-N 3.32Å; A701-T703 PolarHBondContact O-N 3.08Å; T703-N705 PolarHBondContact O-N 3.41Å; T703-A706 PolarHBondContact O-N 2.6Å; T703-I707 HydrophobicContact CG2-CD1 3.88Å; T703-I707 VanDerWaalsContact O-CD1 3.22Å; T703-I707 WeakPolarHBondContact O-CD1 3.41Å; T703-I707 WeakPolarHBondContact O-CG1 3.44Å; T703-I707 PolarHBondContact O-N 3.1Å
704	Y	78.1	Confident	69.5	Low	18 Å²	18	64 Å²	64	7%	0.071	37%	0.367	C	S	.	.	H	α-helix	trans	-63.5	-38.6	179.4	-79.9	-84.8	0	0	0	112.8	L537 K538 S600 V603 V700 A701 I707 N708	L537-Y704 PolarHBondContact O-OH 2.98Å; K538-Y704 HydrophobicContact CB-CD1 4.18Å; K538-Y704 HydrophobicContact CB-CD2 4.04Å; K538-Y704 HydrophobicContact CB-CE1 3.89Å; K538-Y704 HydrophobicContact CB-CE2 3.78Å; K538-Y704 HydrophobicContact CB-CG 4.27Å; S600-Y704 WeakPolarHBondContact CA-OH 3.48Å; S600-Y704 WeakPolarHBondContact CB-OH 3.4Å; S600-Y704 WeakPolarHBondContact OG-CE1 3.45Å; S600-Y704 PolarHBondContact OG-OH 3.43Å; S600-Y704 VanDerWaalsContact OG-OH 3.08Å; V603-Y704 HydrophobicContact CG1-CE2 4.35Å; V700-Y704 HydrophobicContact CG1-CD2 3.76Å; V700-Y704 HydrophobicContact CG1-CE2 3.76Å; V700-Y704 VanDerWaalsContact O-CD2 3.29Å; V700-Y704 WeakPolarHBondContact O-CD2 3.34Å; V700-Y704 PolarHBondContact O-N 3.09Å; A701-Y704 PolarHBondContact O-N 3.17Å; Y704-I707 PolarHBondContact O-N 2.9Å; Y704-N708 PolarHBondContact O-N 3.18Å; Y704-N708 VanDerWaalsContact O-N 3.13Å; Y704-N708 PolarHBondContact O-ND2 3.44Å
705	N	76	Confident	68.1	Low	100 Å²	100	66.5 Å²	66.5	54%	0.535	38%	0.379	S	S	.	.	H	α-helix	trans	-63.4	-43.9	176.2	-73.9	-21.2	0	0	0	111.7	A701 A702 T703 I707 N708 T709	A701-N705 VanDerWaalsContact O-CB 3.29Å; A701-N705 WeakPolarHBondContact O-CB 3.36Å; A701-N705 PolarHBondContact O-N 3.24Å; A701-N705 PolarHBondContact O-ND2 2.64Å; A702-N705 PolarHBondContact O-N 2.96Å; T703-N705 PolarHBondContact O-N 3.41Å; N705-I707 VanDerWaalsContact C-N 3.31Å; N705-I707 PolarHBondContact O-N 3.12Å; N705-N708 PolarHBondContact O-N 3.31Å; N705-T709 PolarHBondContact O-N 3.45Å; N705-T709 PolarHBondContact O-OG1 3.41Å
706	A	74.5	Confident	66.9	Low	1 Å²	1	71.8 Å²	71.8	1%	0.008	41%	0.409	C	S	.	.	H	α-helix	trans	-59.1	-43.6	178.4	0	0	0	0	0	111.9	P623 I626 L627 A702 T703 N708 T709	P623-A706 HydrophobicContact CB-CB 3.99Å; I626-A706 HydrophobicContact CB-CB 3.85Å; I626-A706 HydrophobicContact CD1-CB 4.06Å; I626-A706 HydrophobicContact CG2-CB 3.79Å; L627-A706 HydrophobicContact CG-CB 4.38Å; A702-A706 WeakPolarHBondContact O-CB 3.1Å; A702-A706 PolarHBondContact O-N 3.28Å; T703-A706 PolarHBondContact O-N 2.6Å; A706-N708 VanDerWaalsContact C-N 3.34Å; A706-N708 PolarHBondContact O-N 2.85Å; A706-T709 PolarHBondContact O-N 3.32Å
707	I	71.4	Confident	66.7	Low	44 Å²	44	79.2 Å²	79.2	23%	0.226	44%	0.444	C	S	.	.	H	α-helix	trans	-63.2	-40.3	179.2	-63.9	159.6	0	0	0	111.5	W599 T703 Y704 N705 T709	W599-I707 HydrophobicContact CE3-CD1 4.39Å; W599-I707 HydrophobicContact CH2-CB 4.49Å; W599-I707 HydrophobicContact CH2-CD1 3.03Å; W599-I707 HydrophobicContact CH2-CG1 3.47Å; W599-I707 VanDerWaalsContact CH2-CG1 3.47Å; W599-I707 HydrophobicContact CH2-CG2 4.22Å; W599-I707 HydrophobicContact CZ2-CD1 3.87Å; W599-I707 HydrophobicContact CZ3-CB 4.47Å; W599-I707 HydrophobicContact CZ3-CD1 3.33Å; W599-I707 HydrophobicContact CZ3-CG1 3.87Å; W599-I707 HydrophobicContact CZ3-CG2 3.8Å; T703-I707 HydrophobicContact CG2-CD1 3.88Å; T703-I707 VanDerWaalsContact O-CD1 3.22Å; T703-I707 WeakPolarHBondContact O-CD1 3.41Å; T703-I707 WeakPolarHBondContact O-CG1 3.44Å; T703-I707 PolarHBondContact O-N 3.1Å; Y704-I707 PolarHBondContact O-N 2.9Å; N705-I707 VanDerWaalsContact C-N 3.31Å; N705-I707 PolarHBondContact O-N 3.12Å; I707-T709 VanDerWaalsContact C-N 3.33Å; I707-T709 PolarHBondContact O-N 3.24Å
708	N	67.6	Low	66.6	Low	112 Å²	112	80.9 Å²	80.9	60%	0.599	46%	0.461	S	S	*	.	H	α-helix	trans	-77.8	-14.5	-177.8	-72	-25.4	0	0	0	114	Y704 N705 A706 V710	Y704-N708 PolarHBondContact O-N 3.18Å; Y704-N708 VanDerWaalsContact O-N 3.13Å; Y704-N708 PolarHBondContact O-ND2 3.44Å; N705-N708 PolarHBondContact O-N 3.31Å; A706-N708 VanDerWaalsContact C-N 3.34Å; A706-N708 PolarHBondContact O-N 2.85Å; N708-V710 VanDerWaalsContact C-N 3.29Å; N708-V710 PolarHBondContact O-N 2.81Å
709	T	62	Low	66.3	Low	81 Å²	81	84.9 Å²	84.9	50%	0.497	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-12.5	-172.8	-56.3	0	0	0	0	113.6	N705 A706 I707 Q711	N705-T709 PolarHBondContact O-N 3.45Å; N705-T709 PolarHBondContact O-OG1 3.41Å; A706-T709 PolarHBondContact O-N 3.32Å; I707-T709 VanDerWaalsContact C-N 3.33Å; I707-T709 PolarHBondContact O-N 3.24Å; T709-Q711 PolarHBondContact O-N 3.04Å
710	V	49.9	Very low	66.1	Low	102 Å²	102	87.2 Å²	87.2	62%	0.618	50%	0.497	S	S	*	.			trans	-78.5	25.4	-166.4	-169.1	0	0	0	0	114.9	L627 N708	L627-V710 HydrophobicContact CD1-CG2 3.72Å; L627-V710 HydrophobicContact CD2-CG2 4.32Å; N708-V710 VanDerWaalsContact C-N 3.29Å; N708-V710 PolarHBondContact O-N 2.81Å
711	Q	44.9	Very low	66.3	Low	174 Å²	174	88.9 Å²	88.9	81%	0.813	51%	0.512	S	S	*	.			trans	-134.5	39.9	-179.3	-68.4	-167.2	-6.5	0	0	115.7	T709 L713	T709-Q711 PolarHBondContact O-N 3.04Å; Q711-L713 PolarHBondContact O-N 3.38Å
712	T	37.1	Very low	66.4	Low	132 Å²	132	89.5 Å²	89.5	81%	0.81	51%	0.513	S	S	*	.			trans	-76.6	92.3	161.1	45.8	0	0	0	0	109.6
713	L	34.3	Very low	66.4	Low	155 Å²	155	92.8 Å²	92.8	81%	0.812	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-53	135.9	163.7	-83.5	144.2	0	0	0	108.8	Q711 T715	Q711-L713 PolarHBondContact O-N 3.38Å; L713-T715 PolarHBondContact O-N 2.97Å
714	P	44.4	Very low	66.3	Low	116 Å²	116	97.7 Å²	97.7	75%	0.753	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-56.4	138.4	175.5	21.5	-30.5	0	0	0	110.1	L716	P714-L716 PolarHBondContact O-N 3.24Å
715	T	52.5	Low	66.4	Low	137 Å²	137	97.7 Å²	97.7	84%	0.84	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-61.9	128.8	177.5	-36.1	0	0	0	0	109.1	L713 E717	L713-T715 PolarHBondContact O-N 2.97Å; T715-E717 PolarHBondContact O-N 3.44Å
716	L	59.5	Low	66.8	Low	170 Å²	170	97.4 Å²	97.4	89%	0.89	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-58.9	126.5	177.8	-73.9	169.1	0	0	0	110.1	P714	P714-L716 PolarHBondContact O-N 3.24Å
717	E	79.5	Confident	67	Low	156 Å²	156	105.8 Å²	105.8	73%	0.729	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-72.6	156.7	171.9	-65.8	-169	149.9	0	0	111.1	T715 A721	T715-E717 PolarHBondContact O-N 3.44Å; E717-A721 HydrophobicContact CB-CB 3.77Å; E717-A721 VanDerWaalsContact OE2-CB 3.31Å; E717-A721 WeakPolarHBondContact OE2-CB 3.42Å
718	P	78.8	Confident	67.3	Low	93 Å²	93	112 Å²	112	60%	0.604	61%	0.612	S	S	*	*	P	Polyproline II helix	trans	-52.9	146.5	175	-25.1	33.8	0	0	0	111.8	S720 A721	P718-S720 PolarHBondContact O-N 3.19Å; P718-A721 VanDerWaalsContact O-CB 3.27Å; P718-A721 WeakPolarHBondContact O-CB 3.45Å; P718-A721 PolarHBondContact O-N 3.49Å
719	V	76.9	Confident	67.7	Low	121 Å²	121	114.6 Å²	114.6	73%	0.733	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-50.9	-29.1	-179.8	177.5	0	0	0	0	112.8	A721 S722 A725	V719-A721 PolarHBondContact O-N 2.86Å; V719-S722 VanDerWaalsContact O-CB 3.24Å; V719-S722 WeakPolarHBondContact O-CB 3.38Å; V719-S722 PolarHBondContact O-N 3.02Å; V719-A725 HydrophobicContact CG1-CB 3.87Å; V719-A725 WeakPolarHBondContact O-CB 3.42Å
720	S	80	Confident	68.5	Low	51 Å²	51	119.7 Å²	119.7	36%	0.357	62%	0.624	S	S	.	*	G	3₁₀ helix	trans	-63.6	-17.9	175	48.7	0	0	0	0	115.4	P718 S722 Q726	P718-S720 PolarHBondContact O-N 3.19Å; S720-S722 VanDerWaalsContact C-N 3.28Å; S720-Q726 VanDerWaalsContact O-CG 3.27Å; S720-Q726 WeakPolarHBondContact O-CG 3.36Å; S720-Q726 PolarHBondContact O-NE2 3.1Å
721	A	83.3	Confident	69.7	Low	45 Å²	45	121.6 Å²	121.6	37%	0.372	63%	0.63	S	S	.	*	G	3₁₀ helix	trans	-73.7	-21.2	171.6	0	0	0	0	0	112.1	E717 P718 V719 S723	E717-A721 HydrophobicContact CB-CB 3.77Å; E717-A721 VanDerWaalsContact OE2-CB 3.31Å; E717-A721 WeakPolarHBondContact OE2-CB 3.42Å; P718-A721 VanDerWaalsContact O-CB 3.27Å; P718-A721 WeakPolarHBondContact O-CB 3.45Å; P718-A721 PolarHBondContact O-N 3.49Å; V719-A721 PolarHBondContact O-N 2.86Å; A721-S723 PolarHBondContact O-N 3.44Å
722	S	82.4	Confident	70.8	Confident	56 Å²	56	122.7 Å²	122.7	39%	0.392	63%	0.632	S	S	.	*	S	Bend	trans	-67.6	122.7	174.4	179.1	0	0	0	0	111	V719 S720 L724 A725 Q726	V719-S722 VanDerWaalsContact O-CB 3.24Å; V719-S722 WeakPolarHBondContact O-CB 3.38Å; V719-S722 PolarHBondContact O-N 3.02Å; S720-S722 VanDerWaalsContact C-N 3.28Å; S722-L724 PolarHBondContact O-N 2.96Å; S722-L724 PolarHBondContact OG-N 3.3Å; S722-A725 WeakPolarHBondContact O-CB 3.5Å; S722-A725 PolarHBondContact O-N 3.26Å; S722-Q726 WeakPolarHBondContact O-CG 3.25Å; S722-Q726 PolarHBondContact O-N 2.84Å
723	S	81	Confident	71.8	Confident	84 Å²	84	126.4 Å²	126.4	59%	0.587	64%	0.64	S	S	*	*	H	α-helix	trans	-55.9	-31.9	174.2	60.7	0	0	0	0	112.8	A721 Q726 R727	A721-S723 PolarHBondContact O-N 3.44Å; S723-Q726 PolarHBondContact O-N 3.37Å; S723-R727 PolarHBondContact O-N 3.15Å
724	L	79.3	Confident	73.7	Confident	103 Å²	103	125 Å²	125	54%	0.539	63%	0.631	S	S	.	*	H	α-helix	trans	-68.8	-42.9	174.4	-171.8	72	0	0	0	111.7	S722 Q726 R727 R728	S722-L724 PolarHBondContact O-N 2.96Å; S722-L724 PolarHBondContact OG-N 3.3Å; L724-Q726 VanDerWaalsContact C-N 3.32Å; L724-R727 PolarHBondContact O-N 3.24Å; L724-R728 PolarHBondContact O-N 2.97Å
725	A	79.2	Confident	75.3	Confident	19 Å²	19	125.4 Å²	125.4	16%	0.157	62%	0.624	C	S	.	*	H	α-helix	trans	-65.6	-37.6	175.8	0	0	0	0	0	111.5	V719 S722 R728 R729	V719-A725 HydrophobicContact CG1-CB 3.87Å; V719-A725 WeakPolarHBondContact O-CB 3.42Å; S722-A725 WeakPolarHBondContact O-CB 3.5Å; S722-A725 PolarHBondContact O-N 3.26Å; A725-R728 PolarHBondContact O-N 3.17Å; A725-R729 PolarHBondContact O-N 3.29Å
726	Q	84.1	Confident	76.5	Confident	94 Å²	94	124.8 Å²	124.8	44%	0.439	61%	0.612	S	S	.	*	H	α-helix	trans	-61.9	-44.3	172.5	-67.1	175.5	3	0	0	111.5	S720 S722 S723 L724 R729 R730	S720-Q726 VanDerWaalsContact O-CG 3.27Å; S720-Q726 WeakPolarHBondContact O-CG 3.36Å; S720-Q726 PolarHBondContact O-NE2 3.1Å; S722-Q726 WeakPolarHBondContact O-CG 3.25Å; S722-Q726 PolarHBondContact O-N 2.84Å; S723-Q726 PolarHBondContact O-N 3.37Å; L724-Q726 VanDerWaalsContact C-N 3.32Å; Q726-R729 PolarHBondContact O-N 3.21Å; Q726-R730 WeakPolarHBondContact O-CG 2.75Å; Q726-R730 PolarHBondContact O-N 3.39Å; Q726-R730 VanDerWaalsContact O-N 3.09Å
727	R	79.7	Confident	77.5	Confident	176 Å²	176	122.1 Å²	122.1	66%	0.664	60%	0.596	S	S	*	*	H	α-helix	trans	-63.3	-42.1	173.8	-78.6	-178	-174.5	178	2.3	112.5	S723 L724 R729 R730 I731	S723-R727 PolarHBondContact O-N 3.15Å; L724-R727 PolarHBondContact O-N 3.24Å; R727-R729 VanDerWaalsContact C-N 3.34Å; R727-R729 PolarHBondContact O-N 3.2Å; R727-R730 PolarHBondContact O-N 2.72Å; R727-R730 VanDerWaalsContact O-N 3.16Å; R727-I731 WeakPolarHBondContact O-CG1 3.04Å; R727-I731 PolarHBondContact O-N 2.83Å
728	R	77.4	Confident	77.4	Confident	174 Å²	174	120 Å²	120	66%	0.657	59%	0.588	S	S	*	*	H	α-helix	trans	-65.3	-34.8	177.1	-76.1	-172.8	174.3	-170.3	-0.6	112.9	L724 A725 I731 K732	L724-R728 PolarHBondContact O-N 2.97Å; A725-R728 PolarHBondContact O-N 3.17Å; R728-I731 PolarHBondContact O-N 2.86Å; R728-K732 PolarHBondContact O-N 2.65Å
729	R	75.8	Confident	77.3	Confident	167 Å²	167	121.8 Å²	121.8	63%	0.63	59%	0.587	S	S	*	*	H	α-helix	trans	-65	-39.4	171.2	-81.8	-174.1	176.6	-179.9	-0.4	111.8	A725 Q726 R727 I731 K732 Q733	A725-R729 PolarHBondContact O-N 3.29Å; Q726-R729 PolarHBondContact O-N 3.21Å; R727-R729 VanDerWaalsContact C-N 3.34Å; R727-R729 PolarHBondContact O-N 3.2Å; R729-I731 VanDerWaalsContact C-N 3.31Å; R729-I731 PolarHBondContact O-N 3.06Å; R729-K732 PolarHBondContact O-N 3.17Å; R729-Q733 WeakPolarHBondContact O-CG 3.06Å; R729-Q733 PolarHBondContact O-N 2.68Å; R729-Q733 VanDerWaalsContact O-N 3.16Å
730	R	77.9	Confident	77.3	Confident	189 Å²	189	121.9 Å²	121.9	71%	0.713	58%	0.576	S	S	*	*	H	α-helix	trans	-70.7	-19.3	175.9	-71.7	-178	-176.5	179.7	2	114.8	Q726 R727	Q726-R730 WeakPolarHBondContact O-CG 2.75Å; Q726-R730 PolarHBondContact O-N 3.39Å; Q726-R730 VanDerWaalsContact O-N 3.09Å; R727-R730 PolarHBondContact O-N 2.72Å; R727-R730 VanDerWaalsContact O-N 3.16Å
731	I	76.6	Confident	77.1	Confident	142 Å²	142	127.3 Å²	127.3	73%	0.728	59%	0.593	S	S	*	*	H	α-helix	trans	-90.5	-22.1	176.1	-65.7	165.5	0	0	0	111.4	R727 R728 R729	R727-I731 WeakPolarHBondContact O-CG1 3.04Å; R727-I731 PolarHBondContact O-N 2.83Å; R728-I731 PolarHBondContact O-N 2.86Å; R729-I731 VanDerWaalsContact C-N 3.31Å; R729-I731 PolarHBondContact O-N 3.06Å
732	K	67.7	Low	76.6	Confident	197 Å²	197	134.2 Å²	134.2	86%	0.857	61%	0.612	S	S	*	*	H	α-helix	trans	-91	-11.5	175	-79.4	-169.1	173.5	-170.3	0	113.8	R728 R729	R728-K732 PolarHBondContact O-N 2.65Å; R729-K732 PolarHBondContact O-N 3.17Å
733	Q	58.6	Low	76.1	Confident	209 Å²	209	141.3 Å²	141.3	98%	0.977	63%	0.632	S	S	*	*			trans	-94.8	0	165.6	-72.6	-179.2	-13.6	0	0	108.1	R729	R729-Q733 WeakPolarHBondContact O-CG 3.06Å; R729-Q733 PolarHBondContact O-N 2.68Å; R729-Q733 VanDerWaalsContact O-N 3.16Å

Retrieved 733 of 733 residues in 762 ms (Link to these results)

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